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Methionine synthase

Catalyzes the transfer of a methyl group from methylcob(III)alamin (MeCbl) to homocysteine, yielding enzyme-bound cob(I)alamin and methionine in the cytosol. MeCbl is an active form of cobalamin (vitamin B12) used as a cofactor for methionine biosynthesis. Cob(I)alamin form is regenerated to MeCbl by a transfer of a methyl group from 5-methyltetrahydrofolate. The processing of cobalamin in the cytosol occurs in a multiprotein complex composed of at least MMACHC, MMADHC, MTRR (methionine synthase reductase) and MTR which may contribute to shuttle safely and efficiently cobalamin towards MTR in order to produce methionine.

AlphaFold DB , UniProt , Accession A0A087YB02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,271 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low28.1Very low245 Ų245156.2 Ų156.2100%1.20783%0.83SS**  0126.40-74.3176-179.100106.6
2A20.9Very low28.2Very low93 Ų93151.8 Ų151.877%0.76983%0.832SS**  trans-61.3144.6-168.300000112.9T4A2-T4 PolarHBondContact O-N 3.36Å
3P30.6Very low28.1Very low126 Ų126146.2 Ų146.282%0.81882%0.818SS**  trans-76.5119.6174.530.7-29.4000109.1N5P3-N5 PolarHBondContact O-N 2.84Å
4T27.6Very low28Very low129 Ų129143.9 Ų143.979%0.79181%0.81SS**  trans-66.5114.9173.529.30000110.6A2 V6A2-T4 PolarHBondContact O-N 3.36Å; T4-V6 PolarHBondContact O-N 3.02Å; T4-V6 VanDerWaalsContact O-N 3.09Å
5N25.4Very low27.9Very low164 Ų164139.1 Ų139.188%0.87780%0.804SS**  trans-51.2106.7164-83.3-33.8000110.6P3 R7P3-N5 PolarHBondContact O-N 2.84Å; N5-R7 PolarHBondContact O-N 3.35Å
6V28.8Very low28Very low122 Ų122136.8 Ų136.874%0.73981%0.807SS**  trans-80.4103.7167.6179.80000107.4T4 Y8T4-V6 PolarHBondContact O-N 3.02Å; T4-V6 VanDerWaalsContact O-N 3.09Å; V6-Y8 PolarHBondContact O-N 3.41Å
7R25.7Very low28.6Very low233 Ų233133.4 Ų133.488%0.87981%0.807SS**  trans-62.8112.4169.4-81.9178.1169.7173.4-3.5108.9N5 Q9N5-R7 PolarHBondContact O-N 3.35Å; R7-Q9 PolarHBondContact O-N 3.29Å
8Y29.3Very low29.3Very low160 Ų160132.1 Ų132.163%0.62780%0.804SS**  trans-64.799.8161.1-83.5-94.9000108.5V6 L10 L487V6-Y8 PolarHBondContact O-N 3.41Å; Y8-L10 PolarHBondContact O-N 2.92Å; Y8-L487 HydrophobicContact CD1-CD1 4.17Å; Y8-L487 HydrophobicContact CD2-CD1 4.17Å; Y8-L487 HydrophobicContact CE1-CD1 3.84Å; Y8-L487 HydrophobicContact CE2-CD1 3.84Å; Y8-L487 HydrophobicContact CG-CD1 4.33Å
9Q27Very low30.8Very low187 Ų187127.5 Ų127.587%0.87478%0.778SS**  trans-7499.9160.4-96.5179.2-34.500107.1R7 C11R7-Q9 PolarHBondContact O-N 3.29Å; Q9-C11 VanDerWaalsContact C-N 3.33Å; Q9-C11 PolarHBondContact O-N 3.49Å
10L32.7Very low33.2Very low136 Ų136121.3 Ų121.371%0.71274%0.74SS**  trans-56.598.7162.4-87.1149.3000107.8Y8 A12Y8-L10 PolarHBondContact O-N 2.92Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.87Å
11C27.2Very low35.7Very low123 Ų123120 Ų12083%0.83174%0.735SS**  trans-74.290.6172-145.20000107.7Q9 A13Q9-C11 VanDerWaalsContact C-N 3.33Å; Q9-C11 PolarHBondContact O-N 3.49Å; C11-A13 PolarHBondContact O-N 3.48Å; C11-A13 VanDerWaalsContact O-N 3.14Å
12A30.1Very low38.4Very low104 Ų104109.1 Ų109.186%0.8668%0.682SS**  trans-77.684.6169.300000109.6L10L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.87Å
13A26.2Very low41.8Very low78 Ų78106 Ų10665%0.64565%0.651SS**  trans178.7115.3158.400000105.9C11C11-A13 PolarHBondContact O-N 3.48Å; C11-A13 VanDerWaalsContact O-N 3.14Å
14T27.1Very low44.7Very low115 Ų115102.5 Ų102.571%0.70663%0.629SS**  cis-153.5133.544.745.50000110.2
15G25.9Very low47.9Very low71 Ų7199.7 Ų99.773%0.73261%0.608SS**  trans-63.6154.2170.500000112.6
16A30.5Very low51.2Low103 Ų10391.9 Ų91.985%0.85157%0.566SS**SBendtrans46.399167.600000117.1
17G38.3Very low54.3Low78 Ų7891 Ų9180%0.80455%0.549SS*.  trans76.746.214300000119S19G17-S19 PolarHBondContact O-N 3.4Å
18C40.8Very low57.6Low110 Ų11083 Ų8374%0.74353%0.526SS*.  trans-89.979.6159.3-890000110.3
19S58.7Low60.8Low46 Ų4677.4 Ų77.432%0.32251%0.507SS..  trans-58138.1158.654.70000108.7G17 S24G17-S19 PolarHBondContact O-N 3.4Å; S19-S24 PolarHBondContact OG-OG 3.13Å
20S78.6Confident64.1Low3 Ų368.5 Ų68.52%0.02147%0.465CS..  trans-60.7156.6176.757.60000111.2V22 E23 S24 E222 R223S20-V22 PolarHBondContact O-N 2.63Å; S20-V22 VanDerWaalsContact O-N 3.12Å; S20-E23 PolarHBondContact O-N 2.77Å; S20-E23 PolarHBondContact OG-N 3.23Å; S20-S24 PolarHBondContact O-N 3.13Å; S20-E222 WeakPolarHBondContact CB-OE1 3.28Å; S20-R223 WeakPolarHBondContact CB-O 3.47Å; S20-R223 PolarHBondContact OG-O 3.04Å
21P84.9Confident67Low95 Ų9567.7 Ų67.762%0.61746%0.458SS*.Hα-helixtrans-52.6-36.6178.3-27.935.2000112.9E25 E222P21-E25 WeakPolarHBondContact O-CB 3.47Å; P21-E25 PolarHBondContact O-N 3.22Å; P21-E222 VanDerWaalsContact CD-OE1 3.25Å; P21-E222 WeakPolarHBondContact CD-OE1 3.22Å
22V90.3Very high70.3Confident16 Ų1669.4 Ų69.410%0.09745%0.451CS..Hα-helixtrans-68-43.6176.5178.80000111.7S20 E25 L26 Y145 D193 P225S20-V22 PolarHBondContact O-N 2.63Å; S20-V22 VanDerWaalsContact O-N 3.12Å; V22-E25 PolarHBondContact O-N 2.69Å; V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.44Å; V22-L26 WeakPolarHBondContact O-CB 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.35Å; V22-L26 PolarHBondContact O-N 2.67Å; V22-Y145 HydrophobicContact CG1-CD1 4.38Å; V22-Y145 HydrophobicContact CG1-CE1 4.29Å; V22-D193 HydrophobicContact CG1-CB 4.07Å; V22-P225 HydrophobicContact CG1-CG 4.24Å
23E91.8Very high73.4Confident27 Ų2768.1 Ų68.113%0.12642%0.424CS..Hα-helixtrans-63.7-43.2176.8-173.9-172.8150.900111.7S20 L26 R27 P225 L258S20-E23 PolarHBondContact O-N 2.77Å; S20-E23 PolarHBondContact OG-N 3.23Å; E23-L26 PolarHBondContact O-N 3.47Å; E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.26Å; E23-R27 PolarHBondContact O-N 3.06Å; E23-P225 HydrophobicContact CB-CB 4.24Å; E23-P225 HydrophobicContact CB-CG 4.48Å; E23-P225 HydrophobicContact CG-CB 4.25Å; E23-L258 HydrophobicContact CG-CD1 4.28Å; E23-L258 HydrophobicContact CG-CD2 4.12Å
24S91.9Very high76.8Confident52 Ų5264.7 Ų64.736%0.36440%0.395SS..Hα-helixtrans-58.8-45.9174.1-82.80000112S19 S20 R27 V28S19-S24 PolarHBondContact OG-OG 3.13Å; S20-S24 PolarHBondContact O-N 3.13Å; S24-R27 PolarHBondContact O-N 3.49Å; S24-V28 WeakPolarHBondContact O-CG2 3.31Å; S24-V28 PolarHBondContact O-N 2.61Å
25E94.1Very high80.2Confident71 Ų7159.2 Ų59.233%0.33236%0.361SS..Hα-helixtrans-62.3-49.6177.9-173.7-179.8-175.800111.6P21 V22 R27 V28 L29 K143 Y145P21-E25 WeakPolarHBondContact O-CB 3.47Å; P21-E25 PolarHBondContact O-N 3.22Å; V22-E25 PolarHBondContact O-N 2.69Å; E25-R27 PolarHBondContact O-N 2.59Å; E25-V28 PolarHBondContact O-N 2.95Å; E25-L29 HydrophobicContact CG-CD1 4.31Å; E25-L29 WeakPolarHBondContact O-CG 3.33Å; E25-L29 PolarHBondContact O-N 3.4Å; E25-K143 WeakPolarHBondContact OE1-CD 3.46Å; E25-K143 IonicContact OE1-NZ 3.9Å; E25-K143 IonicContact OE2-NZ 3.47Å; E25-K143 PolarHBondContact OE2-NZ 3.41Å; E25-Y145 WeakPolarHBondContact CG-OH 3.4Å; E25-Y145 PolarHBondContact OE1-OH 2.94Å
26L94.9Very high83.6Confident0 Ų056.1 Ų56.10%033%0.328CS..Hα-helixtrans-61.3-42.6178.1-74.7171.3000111.9V22 E23 V28 L29 L30 M35 Y145 I194 P225 L258V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.44Å; V22-L26 WeakPolarHBondContact O-CB 3.29Å; V22-L26 WeakPolarHBondContact O-CG 3.35Å; V22-L26 PolarHBondContact O-N 2.67Å; E23-L26 PolarHBondContact O-N 3.47Å; L26-V28 VanDerWaalsContact C-N 3.3Å; L26-V28 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 3.39Å; L26-L29 VanDerWaalsContact O-N 3.1Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.15Å; L26-L30 PolarHBondContact O-N 2.91Å; L26-M35 HydrophobicContact CD2-CE 3.82Å; L26-M35 HydrophobicContact CD2-SD 3.94Å; L26-Y145 HydrophobicContact CD2-CD1 4.01Å; L26-Y145 HydrophobicContact CD2-CD2 3.96Å; L26-Y145 HydrophobicContact CD2-CE1 3.83Å; L26-Y145 HydrophobicContact CD2-CE2 3.79Å; L26-Y145 HydrophobicContact CD2-CG 4.06Å; L26-Y145 HydrophobicContact CG-CD1 4.41Å; L26-Y145 HydrophobicContact CG-CE1 4.08Å; L26-I194 HydrophobicContact CD1-CD1 3.79Å; L26-I194 HydrophobicContact CD1-CG1 3.77Å; L26-P225 HydrophobicContact CD1-CB 4.46Å; L26-P225 HydrophobicContact CD1-CG 3.92Å; L26-L258 HydrophobicContact CB-CD2 3.86Å; L26-L258 HydrophobicContact CD1-CD2 4.32Å
27R95Very high86.9Confident103 Ų10351.2 Ų51.239%0.38929%0.287SS..Hα-helixtrans-58.6-41.9177-179.3174.6-74.9-863.4111.7E23 S24 E25 Q31 L258 F285E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.26Å; E23-R27 PolarHBondContact O-N 3.06Å; S24-R27 PolarHBondContact O-N 3.49Å; E25-R27 PolarHBondContact O-N 2.59Å; R27-Q31 VanDerWaalsContact O-CG 3.24Å; R27-Q31 WeakPolarHBondContact O-CG 3.26Å; R27-Q31 PolarHBondContact O-N 3.46Å; R27-L258 HydrophobicContact CB-CD1 4.43Å; R27-F285 HydrophobicContact CB-CE2 4.34Å; R27-F285 HydrophobicContact CG-CE2 3.95Å; R27-F285 HydrophobicContact CG-CZ 4.03Å
28V95.1Very high89.7Confident66 Ų6647.6 Ų47.640%0.425%0.25SC..Hα-helixtrans-66.5-38.4176171.70000111.4S24 E25 L26 K32S24-V28 WeakPolarHBondContact O-CG2 3.31Å; S24-V28 PolarHBondContact O-N 2.61Å; E25-V28 PolarHBondContact O-N 2.95Å; L26-V28 VanDerWaalsContact C-N 3.3Å; L26-V28 PolarHBondContact O-N 2.87Å; V28-K32 HydrophobicContact CG1-CD 4.15Å; V28-K32 WeakPolarHBondContact O-CG 3.33Å; V28-K32 PolarHBondContact O-N 3.03Å
29L95.4Very high92.3Very high42 Ų4242.4 Ų42.422%0.2222%0.215CC..Hα-helixtrans-68.2-47.2178.2-70.9172.6000112E25 L26 Q31 K32 R33 M35 Y145E25-L29 HydrophobicContact CG-CD1 4.31Å; E25-L29 WeakPolarHBondContact O-CG 3.33Å; E25-L29 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.39Å; L26-L29 VanDerWaalsContact O-N 3.1Å; L29-Q31 PolarHBondContact O-N 3.11Å; L29-K32 PolarHBondContact O-N 3.22Å; L29-R33 PolarHBondContact O-N 3.45Å; L29-M35 HydrophobicContact CB-SD 3.97Å; L29-Y145 HydrophobicContact CD1-CE2 4.03Å; L29-Y145 VanDerWaalsContact CD1-OH 3.27Å; L29-Y145 WeakPolarHBondContact CD1-OH 3.33Å
30L96.3Very high94Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-65.3-23.4-179.1-68170.3000113.5L26 M35 L258 F285 N322 I323 P347L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.15Å; L26-L30 PolarHBondContact O-N 2.91Å; L30-M35 HydrophobicContact CD2-CB 4.1Å; L30-M35 HydrophobicContact CD2-CG 3.85Å; L30-M35 HydrophobicContact CD2-SD 3.73Å; L30-M35 HydrophobicContact CG-SD 4.07Å; L30-L258 HydrophobicContact CD1-CD2 4.34Å; L30-L258 HydrophobicContact CD1-CG 4.48Å; L30-F285 HydrophobicContact CB-CD1 4.14Å; L30-F285 HydrophobicContact CB-CD2 4.29Å; L30-F285 HydrophobicContact CB-CE1 4.06Å; L30-F285 HydrophobicContact CB-CE2 4.24Å; L30-F285 HydrophobicContact CB-CG 4.24Å; L30-F285 HydrophobicContact CB-CZ 4.11Å; L30-F285 HydrophobicContact CD1-CB 4.34Å; L30-F285 HydrophobicContact CD1-CD2 3.7Å; L30-F285 HydrophobicContact CD1-CE2 4.15Å; L30-F285 HydrophobicContact CD1-CG 4.03Å; L30-N322 HydrophobicContact CD2-CB 4.37Å; L30-I323 HydrophobicContact CD1-CD1 4.37Å; L30-I323 HydrophobicContact CD2-CD1 3.72Å; L30-I323 HydrophobicContact CD2-CG1 3.36Å; L30-P347 VanDerWaalsContact O-CB 3.26Å; L30-P347 WeakPolarHBondContact O-CB 3.46Å; L30-P347 WeakPolarHBondContact O-CG 3.31Å
31Q95Very high94.8Very high119 Ų11941.9 Ų41.956%0.55621%0.211SC*.Hα-helixtrans-78.9-24.3171-74.2173.5-14.100113.1R27 L29 F285R27-Q31 VanDerWaalsContact O-CG 3.24Å; R27-Q31 WeakPolarHBondContact O-CG 3.26Å; R27-Q31 PolarHBondContact O-N 3.46Å; L29-Q31 PolarHBondContact O-N 3.11Å; Q31-F285 HydrophobicContact CG-CE1 4.11Å; Q31-F285 HydrophobicContact CG-CZ 3.95Å
32K94.8Very high95.1Very high159 Ų15938.6 Ų38.669%0.69119%0.194SC*.Hα-helixtrans-96.9-35.1-175.3-74.2177.5179.5177.60113.2V28 L29V28-K32 HydrophobicContact CG1-CD 4.15Å; V28-K32 WeakPolarHBondContact O-CG 3.33Å; V28-K32 PolarHBondContact O-N 3.03Å; L29-K32 PolarHBondContact O-N 3.22Å
33R95.7Very high95.1Very high76 Ų7638.9 Ų38.929%0.28720%0.196SC..SBendtrans-153.1156.5-177.669.7-179.4-173.997.8-5.7111.8L29 D95 P347L29-R33 PolarHBondContact O-N 3.45Å; R33-D95 IonicContact CZ-OD1 3.16Å; R33-D95 IonicContact CZ-OD2 3.92Å; R33-D95 IonicContact NH1-OD1 2.74Å; R33-D95 PolarHBondContact NH1-OD1 3Å; R33-D95 IonicContact NH1-OD2 2.62Å; R33-D95 PolarHBondContact NH1-OD2 3.36Å; R33-D95 VanDerWaalsContact NH2-CG 3.34Å; R33-D95 IonicContact NH2-OD1 2.72Å; R33-D95 PolarHBondContact NH2-OD1 2.98Å; R33-D95 IonicContact NH2-OD2 3.82Å; R33-P347 VanDerWaalsContact C-CG 3.41Å
34I97.8Very high95.3Very high7 Ų738 Ų384%0.03619%0.192CC..  trans-73.8128.7171.8-61.2176.3000107.7A316 V321 N322 V324 V342 C345 P347I34-A316 HydrophobicContact CD1-CB 3.4Å; I34-V321 HydrophobicContact CD1-CG2 4.48Å; I34-N322 WeakPolarHBondContact CA-O 3.26Å; I34-V324 HydrophobicContact CG2-CG1 4.29Å; I34-V324 HydrophobicContact CG2-CG2 3.96Å; I34-V342 HydrophobicContact CB-CB 4.49Å; I34-V342 HydrophobicContact CB-CG2 4.37Å; I34-V342 HydrophobicContact CD1-CB 4.44Å; I34-V342 HydrophobicContact CG2-CB 4.3Å; I34-V342 HydrophobicContact CG2-CG2 4.06Å; I34-C345 HydrophobicContact CD1-CB 3.88Å; I34-P347 HydrophobicContact CG1-CB 4.16Å; I34-P347 HydrophobicContact CG1-CG 4.15Å
35M98.1Very high95.4Very high0 Ų035.7 Ų35.70%018%0.176CC..EExtended strand (participates in β ladder)trans-92.8153175.9-66.7-176.169.600110.6L26 L29 L30 D95 I96 Y145 N322 I323 V324L26-M35 HydrophobicContact CD2-CE 3.82Å; L26-M35 HydrophobicContact CD2-SD 3.94Å; L29-M35 HydrophobicContact CB-SD 3.97Å; L30-M35 HydrophobicContact CD2-CB 4.1Å; L30-M35 HydrophobicContact CD2-CG 3.85Å; L30-M35 HydrophobicContact CD2-SD 3.73Å; L30-M35 HydrophobicContact CG-SD 4.07Å; M35-D95 WeakPolarHBondContact CA-OD2 3.41Å; M35-D95 HydrophobicContact CB-CB 4.3Å; M35-D95 HydrophobicContact CE-CB 3.69Å; M35-I96 HydrophobicContact CE-CD1 4.06Å; M35-I96 HydrophobicContact CE-CG1 3.9Å; M35-Y145 HydrophobicContact CE-CD2 3.77Å; M35-Y145 HydrophobicContact CE-CE2 3.8Å; M35-N322 PolarHBondContact N-O 3.35Å; M35-N322 VanDerWaalsContact N-O 3.08Å; M35-I323 HydrophobicContact CB-CG1 4.34Å; M35-I323 VanDerWaalsContact O-CA 3.29Å; M35-I323 WeakPolarHBondContact O-CA 3.45Å; M35-V324 PolarHBondContact O-N 3.43Å
36V98.4Very high95.2Very high5 Ų539.1 Ų39.13%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-111.1124.4-177.9-175.90000110.6D95 I96 V324 I335 A339 V342V36-D95 PolarHBondContact N-OD2 2.93Å; V36-D95 WeakPolarHBondContact O-CA 3.43Å; V36-D95 PolarHBondContact O-N 3.36Å; V36-I96 PolarHBondContact O-N 3.22Å; V36-V324 CarbonylContact C-O 3.5Å; V36-V324 VanDerWaalsContact CA-O 3.28Å; V36-V324 WeakPolarHBondContact CA-O 3.36Å; V36-V324 HydrophobicContact CG2-CG2 4.43Å; V36-I335 HydrophobicContact CG1-CG2 3.87Å; V36-A339 HydrophobicContact CG1-CB 4.48Å; V36-A339 HydrophobicContact CG2-CB 4.03Å; V36-V342 HydrophobicContact CG2-CG2 4.17Å
37L98.6Very high95Very high0 Ų044.4 Ų44.40%022%0.217CC..BIsolated β-bridgetrans-85.7158.3167.7-172.668.8000109.4I96 E98 I287 Y289 I323 V324L37-I96 WeakPolarHBondContact CA-O 3.42Å; L37-I96 HydrophobicContact CD1-CB 3.81Å; L37-I96 HydrophobicContact CD1-CG2 3.68Å; L37-E98 HydrophobicContact CD1-CG 4.08Å; L37-E98 WeakPolarHBondContact CD2-OE1 3.31Å; L37-I287 HydrophobicContact CD2-CD1 4.16Å; L37-Y289 HydrophobicContact CD2-CD1 3.83Å; L37-Y289 HydrophobicContact CD2-CD2 3.97Å; L37-Y289 HydrophobicContact CD2-CE1 4.02Å; L37-Y289 HydrophobicContact CD2-CE2 4.12Å; L37-Y289 HydrophobicContact CD2-CG 3.83Å; L37-I323 HydrophobicContact CB-CG2 4.22Å; L37-V324 PolarHBondContact N-O 3.27Å
38D97.8Very high94.8Very high2 Ų244.1 Ų44.11%0.01122%0.219CC..  trans-70.7-171.9175.659.9-23.5000113.5Y89 A94 I96 I97 E98 G326D38-Y89 HydrophobicContact CB-CD1 4.05Å; D38-Y89 HydrophobicContact CB-CD2 4.08Å; D38-Y89 HydrophobicContact CB-CG 3.71Å; D38-A94 HydrophobicContact CB-CB 4.2Å; D38-I96 PolarHBondContact N-O 3.12Å; D38-I96 VanDerWaalsContact N-O 3.13Å; D38-I97 HydrophobicContact CB-CG2 3.98Å; D38-E98 PolarHBondContact OD1-N 3.34Å; D38-E98 PolarHBondContact OD2-N 3.41Å; D38-G326 PolarHBondContact O-N 3.4Å; D38-G326 VanDerWaalsContact O-N 3.12Å
39G95.8Very high94.5Very high2 Ų249.1 Ų49.12%0.02124%0.236CC..  trans-107.7-172.3179.200000112.1M41 Y89 G326 T330G39-M41 PolarHBondContact O-N 3.01Å; G39-M41 VanDerWaalsContact O-N 3.09Å; G39-Y89 VanDerWaalsContact N-CE1 3.33Å; G39-G326 WeakPolarHBondContact CA-O 3.24Å; G39-T330 VanDerWaalsContact CA-OG1 3.27Å; G39-T330 WeakPolarHBondContact CA-OG1 3.31Å
40G93.3Very high94.4Very high13 Ų1348 Ų4813%0.13423%0.23CC..  trans-65.8107.1-177.500000114.7G42 T43 M44 Y89 C327 T330G40-G42 VanDerWaalsContact C-N 3.27Å; G40-G42 PolarHBondContact O-N 2.73Å; G40-T43 WeakPolarHBondContact O-CB 3.47Å; G40-T43 PolarHBondContact O-N 3.08Å; G40-M44 PolarHBondContact O-N 3.45Å; G40-Y89 PolarHBondContact N-OH 3.4Å; G40-Y89 PolarHBondContact O-OH 2.95Å; G40-C327 WeakPolarHBondContact CA-O 3.27Å; G40-C327 PolarHBondContact N-O 2.98Å; G40-T330 PolarHBondContact N-O 3.34Å; G40-T330 PolarHBondContact N-OG1 3.44Å
41M95.3Very high94.2Very high24 Ų2452.7 Ų52.712%0.11825%0.252CS..Hα-helixtrans-50.9-45.2172176.460.469.600112.4G39 T43 M44 I45 I82 I85 H86 N100G39-M41 PolarHBondContact O-N 3.01Å; G39-M41 VanDerWaalsContact O-N 3.09Å; M41-T43 VanDerWaalsContact C-N 3.29Å; M41-T43 PolarHBondContact O-N 3.25Å; M41-M44 PolarHBondContact O-N 3.05Å; M41-I45 HydrophobicContact CG-CD1 3.7Å; M41-I45 HydrophobicContact CG-CG1 4.44Å; M41-I45 WeakPolarHBondContact O-CG1 3.45Å; M41-I45 PolarHBondContact O-N 3.22Å; M41-I45 HydrophobicContact SD-CD1 3.91Å; M41-I45 HydrophobicContact SD-CG1 4.16Å; M41-I82 HydrophobicContact CE-CG2 4.32Å; M41-I82 HydrophobicContact SD-CD1 4.05Å; M41-I85 HydrophobicContact CE-CB 4.38Å; M41-I85 HydrophobicContact CE-CG2 3.84Å; M41-I85 HydrophobicContact SD-CB 4.16Å; M41-I85 HydrophobicContact SD-CD1 4.01Å; M41-I85 HydrophobicContact SD-CG2 3.65Å; M41-H86 WeakPolarHBondContact CE-CE1 3.31Å; M41-N100 HydrophobicContact CE-CB 4.35Å; M41-N100 HydrophobicContact CG-CB 4.26Å
42G92.7Very high94.1Very high26 Ų2648.8 Ų48.827%0.26823%0.234SC..Hα-helixtrans-60.6-35.6178.200000113.5G40 M44 I45 Q46G40-G42 VanDerWaalsContact C-N 3.27Å; G40-G42 PolarHBondContact O-N 2.73Å; G42-M44 VanDerWaalsContact C-N 3.34Å; G42-I45 PolarHBondContact O-N 3.06Å; G42-Q46 VanDerWaalsContact O-CG 3.25Å; G42-Q46 WeakPolarHBondContact O-CG 3.22Å; G42-Q46 PolarHBondContact O-N 3.44Å
43T90.3Very high94Very high22 Ų2247.7 Ų47.714%0.13523%0.231CC..Hα-helixtrans-65.3-38.5177-62.40000111.4G40 M41 G329 T331G40-T43 WeakPolarHBondContact O-CB 3.47Å; G40-T43 PolarHBondContact O-N 3.08Å; M41-T43 VanDerWaalsContact C-N 3.29Å; M41-T43 PolarHBondContact O-N 3.25Å; T43-G329 PolarHBondContact OG1-N 2.85Å; T43-G329 VanDerWaalsContact OG1-N 3.08Å; T43-T331 HydrophobicContact CG2-CG2 4.25Å
44M95Very high93.9Very high8 Ų846.8 Ų46.84%0.03923%0.232CC..Hα-helixtrans-72.3-42.7176.8-66.8-61.4-66.500112G40 M41 G42 Q46 Q47 I85 E88 Y89 T331 P332G40-M44 PolarHBondContact O-N 3.45Å; M41-M44 PolarHBondContact O-N 3.05Å; G42-M44 VanDerWaalsContact C-N 3.34Å; M44-Q46 VanDerWaalsContact C-N 3.27Å; M44-Q46 PolarHBondContact O-N 3.27Å; M44-Q47 WeakPolarHBondContact O-CB 3.33Å; M44-Q47 PolarHBondContact O-N 3.42Å; M44-Q47 VanDerWaalsContact O-N 3.07Å; M44-I85 HydrophobicContact CB-CD1 3.82Å; M44-I85 HydrophobicContact CB-CG1 3.97Å; M44-I85 HydrophobicContact CB-CG2 3.72Å; M44-I85 HydrophobicContact CG-CG2 3.96Å; M44-E88 VanDerWaalsContact CE-OE2 3.29Å; M44-E88 WeakPolarHBondContact CE-OE2 3.21Å; M44-Y89 HydrophobicContact CG-CE2 3.76Å; M44-Y89 VanDerWaalsContact CG-OH 3.24Å; M44-Y89 WeakPolarHBondContact CG-OH 3.48Å; M44-T331 HydrophobicContact SD-CG2 4.42Å; M44-P332 HydrophobicContact CE-CG 3.93Å; M44-P332 WeakPolarHBondContact SD-CD 3.37Å; M44-P332 HydrophobicContact SD-CG 4.16Å
45I94.4Very high93.7Very high4 Ų446.8 Ų46.82%0.02123%0.232CC..Hα-helixtrans-59.4-39.3176.4-68165.6000111.4M41 G42 Q47 E48 L50 N71 L74 I82 I85M41-I45 HydrophobicContact CG-CD1 3.7Å; M41-I45 HydrophobicContact CG-CG1 4.44Å; M41-I45 WeakPolarHBondContact O-CG1 3.45Å; M41-I45 PolarHBondContact O-N 3.22Å; M41-I45 HydrophobicContact SD-CD1 3.91Å; M41-I45 HydrophobicContact SD-CG1 4.16Å; G42-I45 PolarHBondContact O-N 3.06Å; I45-Q47 PolarHBondContact O-N 3.46Å; I45-E48 WeakPolarHBondContact O-CB 3.46Å; I45-E48 PolarHBondContact O-N 2.99Å; I45-L50 HydrophobicContact CG2-CD1 4.23Å; I45-N71 HydrophobicContact CD1-CB 3.8Å; I45-L74 HydrophobicContact CD1-CD1 4.09Å; I45-L74 HydrophobicContact CG1-CD1 4.3Å; I45-L74 HydrophobicContact CG2-CD1 3.53Å; I45-I82 HydrophobicContact CD1-CD1 3.73Å; I45-I82 HydrophobicContact CG1-CD1 4Å; I45-I85 HydrophobicContact CG1-CD1 3.87Å
46Q89.5Confident93.5Very high144 Ų14449 Ų4967%0.67324%0.24SC*.Hα-helixtrans-62.2-27.8177.7-76.2170.9-3.300113.2G42 M44 E48 K49G42-Q46 VanDerWaalsContact O-CG 3.25Å; G42-Q46 WeakPolarHBondContact O-CG 3.22Å; G42-Q46 PolarHBondContact O-N 3.44Å; M44-Q46 VanDerWaalsContact C-N 3.27Å; M44-Q46 PolarHBondContact O-N 3.27Å; Q46-E48 VanDerWaalsContact C-N 3.31Å; Q46-K49 PolarHBondContact O-N 2.86Å
47Q90Very high93.2Very high111 Ų11149.3 Ų49.352%0.51924%0.244SC..Hα-helixtrans-73.3-24.4178.2-66.4176.916.700113M44 I45 K49M44-Q47 WeakPolarHBondContact O-CB 3.33Å; M44-Q47 PolarHBondContact O-N 3.42Å; M44-Q47 VanDerWaalsContact O-N 3.07Å; I45-Q47 PolarHBondContact O-N 3.46Å; Q47-K49 PolarHBondContact O-N 3.28Å
48E91.4Very high92.7Very high96 Ų9656.6 Ų56.645%0.44928%0.278SS..THydrogen-bonded Turntrans-73.1-13.5176.6-60.8-63.4144.600112.7I45 Q46 L50 I81I45-E48 WeakPolarHBondContact O-CB 3.46Å; I45-E48 PolarHBondContact O-N 2.99Å; Q46-E48 VanDerWaalsContact C-N 3.31Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 HydrophobicContact CB-CD1 4.49Å; E48-L50 HydrophobicContact CB-CD2 4.04Å; E48-L50 HydrophobicContact CB-CG 3.91Å; E48-L50 PolarHBondContact O-N 3.47Å; E48-I81 HydrophobicContact CG-CG2 3.89Å
49K90Very high92.5Very high171 Ų17161.5 Ų61.574%0.74330%0.301SS*.THydrogen-bonded Turntrans52.344177.7-58.8178.8-176.9179.40113.4Q46 Q47Q46-K49 PolarHBondContact O-N 2.86Å; Q47-K49 PolarHBondContact O-N 3.28Å
50L91.9Very high92.5Very high19 Ų1962.4 Ų62.410%0.09931%0.305CS..  trans-66142.8-178.9-59.1179.1000112.4I45 E48 D54 F55 K68 L74 I81I45-L50 HydrophobicContact CG2-CD1 4.23Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 HydrophobicContact CB-CD1 4.49Å; E48-L50 HydrophobicContact CB-CD2 4.04Å; E48-L50 HydrophobicContact CB-CG 3.91Å; E48-L50 PolarHBondContact O-N 3.47Å; L50-D54 HydrophobicContact CB-CB 4.1Å; L50-D54 HydrophobicContact CD2-CB 4.12Å; L50-F55 HydrophobicContact CB-CD2 4.35Å; L50-F55 HydrophobicContact CB-CE2 3.75Å; L50-K68 WeakPolarHBondContact O-CE 3.39Å; L50-L74 HydrophobicContact CD1-CD1 3.68Å; L50-L74 HydrophobicContact CD1-CD2 3.95Å; L50-L74 HydrophobicContact CD1-CG 4.49Å; L50-I81 HydrophobicContact CD1-CD1 4.33Å; L50-I81 HydrophobicContact CD2-CD1 3.85Å
51E92.4Very high92.4Very high98 Ų9866.7 Ų66.746%0.45832%0.32SS..  trans-107171178.7-67-60.5154.300111.8E53 D54 F55 K68E51-E53 PolarHBondContact O-N 2.83Å; E51-E53 VanDerWaalsContact O-N 3.16Å; E51-D54 PolarHBondContact N-OD2 2.85Å; E51-D54 WeakPolarHBondContact O-CB 3.42Å; E51-D54 PolarHBondContact O-N 3.49Å; E51-F55 WeakPolarHBondContact O-CD2 3.25Å; E51-F55 PolarHBondContact O-N 3.01Å; E51-K68 VanDerWaalsContact CD-NZ 3.35Å; E51-K68 IonicContact OE1-NZ 2.82Å; E51-K68 PolarHBondContact OE1-NZ 3.42Å; E51-K68 IonicContact OE2-NZ 3.97Å; E51-K68 PolarHBondContact OE2-NZ 2.9Å
52E92.4Very high92.3Very high37 Ų3774.2 Ų74.217%0.17335%0.354CS..Hα-helixtrans-53.6-37.4-175.4176.168.4-160.300112.9D54 F55 R56 P66 L67 K68E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 2.69Å; E52-F55 PolarHBondContact O-N 3.34Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.37Å; E52-R56 IonicContact OE1-CZ 3.17Å; E52-R56 VanDerWaalsContact OE1-CZ 3.23Å; E52-R56 IonicContact OE1-NE 3.34Å; E52-R56 PolarHBondContact OE1-NE 3.1Å; E52-R56 IonicContact OE1-NH2 2.66Å; E52-R56 PolarHBondContact OE1-NH2 2.77Å; E52-P66 WeakPolarHBondContact OE1-CA 3.21Å; E52-L67 PolarHBondContact OE1-N 2.66Å; E52-L67 PolarHBondContact OE2-N 3.21Å; E52-L67 VanDerWaalsContact OE2-N 3.17Å; E52-K68 HydrophobicContact CB-CB 4.4Å; E52-K68 WeakPolarHBondContact OE2-CA 3.4Å; E52-K68 WeakPolarHBondContact OE2-CB 3.41Å; E52-K68 PolarHBondContact OE2-N 3.39Å
53E92.7Very high92.4Very high137 Ų13774.5 Ų74.564%0.6435%0.349SS*.Hα-helixtrans-60.8-36.7176.5-66.878-171.200112.4E51 R56 G57E51-E53 PolarHBondContact O-N 2.83Å; E51-E53 VanDerWaalsContact O-N 3.16Å; E53-R56 PolarHBondContact O-N 3.46Å; E53-G57 PolarHBondContact O-N 2.83Å
54D94.4Very high92.4Very high56 Ų5679 Ų7930%0.29938%0.379SS..Hα-helixtrans-69.3-40.2179.1-59.5-54.5000111.2L50 E51 E52 R56 G57 T77 Q78L50-D54 HydrophobicContact CB-CB 4.1Å; L50-D54 HydrophobicContact CD2-CB 4.12Å; E51-D54 PolarHBondContact N-OD2 2.85Å; E51-D54 WeakPolarHBondContact O-CB 3.42Å; E51-D54 PolarHBondContact O-N 3.49Å; E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 2.69Å; D54-R56 VanDerWaalsContact C-N 3.34Å; D54-G57 PolarHBondContact O-N 3.28Å; D54-T77 PolarHBondContact O-OG1 3.11Å; D54-Q78 HydrophobicContact CB-CG 4.42Å; D54-Q78 PolarHBondContact O-NE2 2.89Å
55F93.3Very high92.3Very high8 Ų882.1 Ų82.14%0.03540%0.395CS..Hα-helixtrans-67.7-33.5176.4-76.9-95.2000112.2L50 E51 E52 L67 K68 L73 L74 T77L50-F55 HydrophobicContact CB-CD2 4.35Å; L50-F55 HydrophobicContact CB-CE2 3.75Å; E51-F55 WeakPolarHBondContact O-CD2 3.25Å; E51-F55 PolarHBondContact O-N 3.01Å; E52-F55 PolarHBondContact O-N 3.34Å; F55-L67 HydrophobicContact CB-CB 4.08Å; F55-L67 WeakPolarHBondContact CD1-O 3.33Å; F55-K68 HydrophobicContact CD2-CB 4.22Å; F55-K68 HydrophobicContact CD2-CG 4.16Å; F55-K68 HydrophobicContact CE2-CG 4.04Å; F55-L73 WeakPolarHBondContact O-CD2 3.37Å; F55-L74 HydrophobicContact CD1-CD1 4.49Å; F55-L74 HydrophobicContact CD1-CD2 3.79Å; F55-L74 HydrophobicContact CD1-CG 4.06Å; F55-L74 HydrophobicContact CD2-CD2 4.5Å; F55-L74 HydrophobicContact CE1-CD1 3.85Å; F55-L74 HydrophobicContact CE1-CD2 3.97Å; F55-L74 HydrophobicContact CE1-CG 3.88Å; F55-L74 HydrophobicContact CG-CD2 4.08Å; F55-L74 HydrophobicContact CZ-CD1 4.06Å; F55-L74 HydrophobicContact CZ-CD2 4.39Å; F55-L74 HydrophobicContact CZ-CG 4.49Å; F55-T77 WeakPolarHBondContact O-CG2 3.36Å; F55-T77 PolarHBondContact O-OG1 2.67Å
56R93.4Very high92.1Very high46 Ų4686.2 Ų86.217%0.17442%0.422CS..Hα-helixtrans-71.3-36.7174.7-72.5172.8-178.8-88.9-18.8112.6E52 E53 D54 F60 K61 H63 L65 L67E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.37Å; E52-R56 IonicContact OE1-CZ 3.17Å; E52-R56 VanDerWaalsContact OE1-CZ 3.23Å; E52-R56 IonicContact OE1-NE 3.34Å; E52-R56 PolarHBondContact OE1-NE 3.1Å; E52-R56 IonicContact OE1-NH2 2.66Å; E52-R56 PolarHBondContact OE1-NH2 2.77Å; E53-R56 PolarHBondContact O-N 3.46Å; D54-R56 VanDerWaalsContact C-N 3.34Å; R56-F60 WeakPolarHBondContact O-CB 3.42Å; R56-F60 PolarHBondContact O-N 3.39Å; R56-K61 PolarHBondContact NH1-O 3.49Å; R56-H63 PolarHBondContact NH1-O 2.93Å; R56-H63 PolarHBondContact NH2-O 2.82Å; R56-L65 PolarHBondContact NH2-O 2.94Å; R56-L67 HydrophobicContact CG-CD1 4.07Å
57G91.9Very high92.3Very high12 Ų1279.3 Ų79.312%0.12439%0.389CS..THydrogen-bonded Turntrans53.8-151.1-171.300000111.9E53 D54 K61E53-G57 PolarHBondContact O-N 2.83Å; D54-G57 PolarHBondContact O-N 3.28Å; G57-K61 WeakPolarHBondContact O-CG 3.34Å
58E89.4Confident92.3Very high152 Ų15278.8 Ų78.871%0.7139%0.385SS*.THydrogen-bonded Turntrans-82.4-34.2176.1-69.2-63.1137.700112.9K61E58-K61 VanDerWaalsContact CD-CE 3.48Å; E58-K61 VanDerWaalsContact OE1-CE 3.29Å; E58-K61 WeakPolarHBondContact OE1-CE 3.38Å; E58-K61 IonicContact OE1-NZ 2.69Å; E58-K61 PolarHBondContact OE1-NZ 3.25Å; E58-K61 VanDerWaalsContact OE2-CE 3.31Å; E58-K61 WeakPolarHBondContact OE2-CE 3.35Å; E58-K61 IonicContact OE2-NZ 2.63Å; E58-K61 PolarHBondContact OE2-NZ 3.41Å
59E92.7Very high92.1Very high105 Ų10576.2 Ų76.249%0.49138%0.384SS..THydrogen-bonded Turntrans-74.6-31.8-171.5-169.5174.4155.900113R120E59-R120 IonicContact OE1-CZ 2.77Å; E59-R120 IonicContact OE1-NH1 2.67Å; E59-R120 PolarHBondContact OE1-NH1 3.08Å; E59-R120 IonicContact OE1-NH2 3.75Å; E59-R120 PolarHBondContact OE1-NH2 3.4Å; E59-R120 IonicContact OE2-CZ 3.2Å; E59-R120 IonicContact OE2-NH1 3.51Å; E59-R120 IonicContact OE2-NH2 3.81Å; E59-R120 PolarHBondContact OE2-NH2 3.3Å
60F95.2Very high92.4Very high22 Ų2268.1 Ų68.110%0.09635%0.349CS..THydrogen-bonded Turntrans-114.822.1-172.7-52.3-75.2000114.1R56 E62 H63 L67 L73 T77 L114 L117R56-F60 WeakPolarHBondContact O-CB 3.42Å; R56-F60 PolarHBondContact O-N 3.39Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 2.76Å; F60-H63 HydrophobicContact CB-CB 4.12Å; F60-H63 VanDerWaalsContact O-CB 3.25Å; F60-H63 WeakPolarHBondContact O-CB 3.25Å; F60-H63 PolarHBondContact O-N 3.04Å; F60-L67 HydrophobicContact CB-CD1 3.65Å; F60-L67 HydrophobicContact CG-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD1 4.14Å; F60-L73 HydrophobicContact CD2-CD2 4.42Å; F60-L73 HydrophobicContact CE2-CD1 3.72Å; F60-L73 HydrophobicContact CZ-CD1 4.32Å; F60-T77 HydrophobicContact CD2-CG2 3.87Å; F60-T77 HydrophobicContact CE2-CG2 4.15Å; F60-L114 HydrophobicContact CD1-CD2 4.24Å; F60-L114 HydrophobicContact CE1-CD2 4.12Å; F60-L117 HydrophobicContact CE1-CD1 3.63Å; F60-L117 HydrophobicContact CE2-CD1 4.44Å; F60-L117 HydrophobicContact CZ-CD1 3.4Å
61K92.9Very high92.6Very high103 Ų10369.1 Ų69.145%0.44836%0.355SS..THydrogen-bonded Turntrans-50.1-47-179.8-74.3-175.5166.8170.10113R56 G57 E58 H63R56-K61 PolarHBondContact NH1-O 3.49Å; G57-K61 WeakPolarHBondContact O-CG 3.34Å; E58-K61 VanDerWaalsContact CD-CE 3.48Å; E58-K61 VanDerWaalsContact OE1-CE 3.29Å; E58-K61 WeakPolarHBondContact OE1-CE 3.38Å; E58-K61 IonicContact OE1-NZ 2.69Å; E58-K61 PolarHBondContact OE1-NZ 3.25Å; E58-K61 VanDerWaalsContact OE2-CE 3.31Å; E58-K61 WeakPolarHBondContact OE2-CE 3.35Å; E58-K61 IonicContact OE2-NZ 2.63Å; E58-K61 PolarHBondContact OE2-NZ 3.41Å; K61-H63 VanDerWaalsContact C-N 3.33Å; K61-H63 PolarHBondContact O-N 3.45Å
62E93Very high92.8Very high181 Ų18164.7 Ų64.785%0.84633%0.334SS*.THydrogen-bonded Turntrans-90.413.9-176.5-57.8-61.8147.300113.6F60F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 2.76Å
63H93.9Very high93Very high32 Ų3263 Ų6315%0.14833%0.326CS..  trans-66.4131.1-177.4-166.759.4000111.4R56 F60 K61 L65 L67 Y112 G113R56-H63 PolarHBondContact NH1-O 2.93Å; R56-H63 PolarHBondContact NH2-O 2.82Å; F60-H63 HydrophobicContact CB-CB 4.12Å; F60-H63 VanDerWaalsContact O-CB 3.25Å; F60-H63 WeakPolarHBondContact O-CB 3.25Å; F60-H63 PolarHBondContact O-N 3.04Å; K61-H63 VanDerWaalsContact C-N 3.33Å; K61-H63 PolarHBondContact O-N 3.45Å; H63-L65 VanDerWaalsContact C-N 3.26Å; H63-L65 PolarHBondContact O-N 3.09Å; H63-L67 HydrophobicContact CB-CD1 4.11Å; H63-L67 VanDerWaalsContact CD2-CD2 3.46Å; H63-L67 WeakPolarHBondContact CD2-CD2 3.44Å; H63-Y112 PolarHBondContact NE2-O 2.98Å; H63-G113 PolarHBondContact CE1-O 3.15Å
64P90.2Very high93.3Very high118 Ų11856.4 Ų56.477%0.76630%0.296SS*.SBendtrans-72.3-14.6-170.327.6-37.5000114.9
65L92.6Very high93.4Very high73 Ų7353.9 Ų53.938%0.38228%0.282SS..SBendtrans-109.1153.1-179.9-65.1178.1000111.1R56 H63R56-L65 PolarHBondContact NH2-O 2.94Å; H63-L65 VanDerWaalsContact C-N 3.26Å; H63-L65 PolarHBondContact O-N 3.09Å
66P91.3Very high93.6Very high89 Ų8955.3 Ų55.358%0.57829%0.29SS*.  trans-65.6138.817128.3-33.5000110.8E52E52-P66 WeakPolarHBondContact OE1-CA 3.21Å
67L92.9Very high93.8Very high0 Ų054.1 Ų54.10%029%0.288CS..  trans-112.4-11.9-177.8-65.5179.8000113.3E52 F55 R56 F60 H63 G69 N70 L73 Y112 L114E52-L67 PolarHBondContact OE1-N 2.66Å; E52-L67 PolarHBondContact OE2-N 3.21Å; E52-L67 VanDerWaalsContact OE2-N 3.17Å; F55-L67 HydrophobicContact CB-CB 4.08Å; F55-L67 WeakPolarHBondContact CD1-O 3.33Å; R56-L67 HydrophobicContact CG-CD1 4.07Å; F60-L67 HydrophobicContact CB-CD1 3.65Å; F60-L67 HydrophobicContact CG-CD1 4.24Å; H63-L67 HydrophobicContact CB-CD1 4.11Å; H63-L67 VanDerWaalsContact CD2-CD2 3.46Å; H63-L67 WeakPolarHBondContact CD2-CD2 3.44Å; L67-G69 PolarHBondContact O-N 3.34Å; L67-N70 WeakPolarHBondContact O-CB 3.34Å; L67-N70 PolarHBondContact O-N 3.03Å; L67-N70 VanDerWaalsContact O-N 3.08Å; L67-L73 HydrophobicContact CB-CD2 4.15Å; L67-L73 HydrophobicContact CD1-CD2 3.76Å; L67-L73 HydrophobicContact CD2-CD2 4.28Å; L67-L73 HydrophobicContact CG-CD2 4.29Å; L67-Y112 HydrophobicContact CD2-CD1 4.43Å; L67-L114 HydrophobicContact CD2-CD1 3.83Å; L67-L114 HydrophobicContact CD2-CG 4.35Å
68K90.5Very high94.1Very high100 Ų10055.7 Ų55.744%0.43529%0.292SS..THydrogen-bonded Turntrans-57.1128.4175.3-173.9172.6-171.5174.40110.6L50 E51 E52 F55L50-K68 WeakPolarHBondContact O-CE 3.39Å; E51-K68 VanDerWaalsContact CD-NZ 3.35Å; E51-K68 IonicContact OE1-NZ 2.82Å; E51-K68 PolarHBondContact OE1-NZ 3.42Å; E51-K68 IonicContact OE2-NZ 3.97Å; E51-K68 PolarHBondContact OE2-NZ 2.9Å; E52-K68 HydrophobicContact CB-CB 4.4Å; E52-K68 WeakPolarHBondContact OE2-CA 3.4Å; E52-K68 WeakPolarHBondContact OE2-CB 3.41Å; E52-K68 PolarHBondContact OE2-N 3.39Å; F55-K68 HydrophobicContact CD2-CB 4.22Å; F55-K68 HydrophobicContact CD2-CG 4.16Å; F55-K68 HydrophobicContact CE2-CG 4.04Å
69G87.3Confident94.5Very high41 Ų4151 Ų5142%0.42328%0.275SS..THydrogen-bonded Turntrans99.8-14-17600000114.4L67 N71L67-G69 PolarHBondContact O-N 3.34Å; G69-N71 VanDerWaalsContact C-N 3.32Å; G69-N71 PolarHBondContact O-N 3.39Å
70N95.2Very high94.7Very high2 Ų249.1 Ų49.11%0.01128%0.277CS..  trans-80.877.1172.2-168.90.5000110.9L67 D72 L73 Q109 Y112L67-N70 WeakPolarHBondContact O-CB 3.34Å; L67-N70 PolarHBondContact O-N 3.03Å; L67-N70 VanDerWaalsContact O-N 3.08Å; N70-D72 VanDerWaalsContact C-N 3.26Å; N70-D72 PolarHBondContact O-N 3.05Å; N70-L73 HydrophobicContact CB-CB 4.25Å; N70-L73 VanDerWaalsContact O-CB 3.31Å; N70-L73 WeakPolarHBondContact O-CB 3.31Å; N70-L73 PolarHBondContact O-N 3.31Å; N70-L73 VanDerWaalsContact O-N 3.12Å; N70-Q109 PolarHBondContact ND2-OE1 3.43Å; N70-Q109 PolarHBondContact OD1-NE2 3.45Å; N70-Q109 VanDerWaalsContact OD1-NE2 3.12Å; N70-Y112 HydrophobicContact CB-CD1 3.89Å; N70-Y112 HydrophobicContact CB-CD2 3.96Å; N70-Y112 HydrophobicContact CB-CE1 3.74Å; N70-Y112 HydrophobicContact CB-CE2 3.81Å; N70-Y112 HydrophobicContact CB-CG 4Å; N70-Y112 WeakPolarHBondContact ND2-CD2 3.47Å
71N96.8Very high94.8Very high39 Ų3949.5 Ų49.521%0.20928%0.28CS..G310 helixtrans-58.5-35.7-175.4-70.6-14.8000113.2I45 G69 L73 L74 N100I45-N71 HydrophobicContact CD1-CB 3.8Å; G69-N71 VanDerWaalsContact C-N 3.32Å; G69-N71 PolarHBondContact O-N 3.39Å; N71-L73 PolarHBondContact O-N 3.21Å; N71-L74 VanDerWaalsContact O-CB 3.29Å; N71-L74 WeakPolarHBondContact O-CB 3.39Å; N71-L74 PolarHBondContact O-N 2.84Å; N71-L74 VanDerWaalsContact O-N 3.11Å; N71-N100 PolarHBondContact O-ND2 2.99Å
72D96.9Very high95Very high6 Ų644.6 Ų44.63%0.03226%0.258CS..G310 helixtrans-55.4-37.3177-67.6-121.9000112.8N70 L74 S75 T101 F102 S103 S104N70-D72 VanDerWaalsContact C-N 3.26Å; N70-D72 PolarHBondContact O-N 3.05Å; D72-L74 PolarHBondContact O-N 3.41Å; D72-S75 WeakPolarHBondContact O-CB 3.47Å; D72-S75 PolarHBondContact O-N 2.94Å; D72-S75 PolarHBondContact O-OG 2.97Å; D72-T101 WeakPolarHBondContact OD1-CA 3.33Å; D72-F102 PolarHBondContact OD1-N 2.93Å; D72-F102 VanDerWaalsContact OD1-N 3.16Å; D72-S103 VanDerWaalsContact OD1-C 3.31Å; D72-S103 WeakPolarHBondContact OD1-CA 3.42Å; D72-S103 PolarHBondContact OD1-N 3.3Å; D72-S103 WeakPolarHBondContact OD2-CB 3.27Å; D72-S103 PolarHBondContact OD2-N 3.16Å; D72-S104 WeakPolarHBondContact CB-OG 3.2Å; D72-S104 WeakPolarHBondContact OD1-CB 3.49Å; D72-S104 PolarHBondContact OD1-N 3.35Å; D72-S104 PolarHBondContact OD1-OG 3.15Å
73L97.4Very high95.3Very high0 Ų037.5 Ų37.50%022%0.224CC..G310 helixtrans-63.7-27.3-179.5-176.161.7000113F55 F60 L67 N70 N71 S75 L76 T77 L114 L121F55-L73 WeakPolarHBondContact O-CD2 3.37Å; F60-L73 HydrophobicContact CD2-CD1 4.14Å; F60-L73 HydrophobicContact CD2-CD2 4.42Å; F60-L73 HydrophobicContact CE2-CD1 3.72Å; F60-L73 HydrophobicContact CZ-CD1 4.32Å; L67-L73 HydrophobicContact CB-CD2 4.15Å; L67-L73 HydrophobicContact CD1-CD2 3.76Å; L67-L73 HydrophobicContact CD2-CD2 4.28Å; L67-L73 HydrophobicContact CG-CD2 4.29Å; N70-L73 HydrophobicContact CB-CB 4.25Å; N70-L73 VanDerWaalsContact O-CB 3.31Å; N70-L73 WeakPolarHBondContact O-CB 3.31Å; N70-L73 PolarHBondContact O-N 3.31Å; N70-L73 VanDerWaalsContact O-N 3.12Å; N71-L73 PolarHBondContact O-N 3.21Å; L73-S75 PolarHBondContact O-N 3.23Å; L73-S75 VanDerWaalsContact O-N 3.08Å; L73-L76 HydrophobicContact CD1-CD1 4.42Å; L73-L76 PolarHBondContact O-N 3.47Å; L73-T77 HydrophobicContact CD1-CG2 4.46Å; L73-T77 HydrophobicContact CG-CG2 4.14Å; L73-T77 PolarHBondContact O-N 3.46Å; L73-T77 VanDerWaalsContact O-N 3.13Å; L73-T77 PolarHBondContact O-OG1 3.28Å; L73-L114 HydrophobicContact CD1-CD1 3.98Å; L73-L114 HydrophobicContact CD2-CD1 3.92Å; L73-L114 HydrophobicContact CG-CD1 4.49Å; L73-L121 HydrophobicContact CD1-CD2 4.06Å
74L97.8Very high95.5Very high0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-61.9-18.6178.4-61.3174.6000112.4I45 L50 F55 N71 D72 L76 Q78 I82I45-L74 HydrophobicContact CD1-CD1 4.09Å; I45-L74 HydrophobicContact CG1-CD1 4.3Å; I45-L74 HydrophobicContact CG2-CD1 3.53Å; L50-L74 HydrophobicContact CD1-CD1 3.68Å; L50-L74 HydrophobicContact CD1-CD2 3.95Å; L50-L74 HydrophobicContact CD1-CG 4.49Å; F55-L74 HydrophobicContact CD1-CD1 4.49Å; F55-L74 HydrophobicContact CD1-CD2 3.79Å; F55-L74 HydrophobicContact CD1-CG 4.06Å; F55-L74 HydrophobicContact CD2-CD2 4.5Å; F55-L74 HydrophobicContact CE1-CD1 3.85Å; F55-L74 HydrophobicContact CE1-CD2 3.97Å; F55-L74 HydrophobicContact CE1-CG 3.88Å; F55-L74 HydrophobicContact CG-CD2 4.08Å; F55-L74 HydrophobicContact CZ-CD1 4.06Å; F55-L74 HydrophobicContact CZ-CD2 4.39Å; F55-L74 HydrophobicContact CZ-CG 4.49Å; N71-L74 VanDerWaalsContact O-CB 3.29Å; N71-L74 WeakPolarHBondContact O-CB 3.39Å; N71-L74 PolarHBondContact O-N 2.84Å; N71-L74 VanDerWaalsContact O-N 3.11Å; D72-L74 PolarHBondContact O-N 3.41Å; L74-L76 PolarHBondContact O-N 3.33Å; L74-Q78 HydrophobicContact CB-CB 4.3Å; L74-Q78 HydrophobicContact CD2-CB 4.05Å; L74-Q78 HydrophobicContact CD2-CG 3.74Å; L74-Q78 CarbonylContact O-C 3.55Å; L74-Q78 VanDerWaalsContact O-CA 3.31Å; L74-Q78 WeakPolarHBondContact O-CA 3.36Å; L74-Q78 PolarHBondContact O-N 2.85Å; L74-I82 HydrophobicContact CB-CD1 3.92Å; L74-I82 HydrophobicContact CB-CG1 3.93Å
75S97.7Very high95.9Very high3 Ų334.4 Ų34.42%0.02120%0.202CC..Hα-helixtrans-62-23.8169.9-49.80000112.8D72 L73 N100 S125 L128D72-S75 WeakPolarHBondContact O-CB 3.47Å; D72-S75 PolarHBondContact O-N 2.94Å; D72-S75 PolarHBondContact O-OG 2.97Å; L73-S75 PolarHBondContact O-N 3.23Å; L73-S75 VanDerWaalsContact O-N 3.08Å; S75-N100 PolarHBondContact OG-ND2 3.19Å; S75-S125 PolarHBondContact OG-OG 2.74Å; S75-L128 VanDerWaalsContact O-CD1 3.24Å; S75-L128 WeakPolarHBondContact O-CD1 3.5Å
76L97.4Very high96.2Very high37 Ų3730.9 Ų30.919%0.19418%0.184CC..Hα-helixtrans-100.9-42.7174.7-63179.6000112.2L73 L74 R120 L121 A124L73-L76 HydrophobicContact CD1-CD1 4.42Å; L73-L76 PolarHBondContact O-N 3.47Å; L74-L76 PolarHBondContact O-N 3.33Å; L76-R120 HydrophobicContact CD1-CG 4.47Å; L76-R120 HydrophobicContact CD2-CG 4.41Å; L76-L121 HydrophobicContact CD1-CD2 3.59Å; L76-L121 HydrophobicContact CD1-CG 4.29Å; L76-L121 HydrophobicContact CG-CD2 3.92Å; L76-A124 HydrophobicContact CD2-CB 3.53Å
77T97.3Very high96.5Very high21 Ų2129.2 Ų29.213%0.12917%0.167CC..Hα-helixtrans-88.7-33.4-171.354.90000113.5D54 F55 F60 L73 P79D54-T77 PolarHBondContact O-OG1 3.11Å; F55-T77 WeakPolarHBondContact O-CG2 3.36Å; F55-T77 PolarHBondContact O-OG1 2.67Å; F60-T77 HydrophobicContact CD2-CG2 3.87Å; F60-T77 HydrophobicContact CE2-CG2 4.15Å; L73-T77 HydrophobicContact CD1-CG2 4.46Å; L73-T77 HydrophobicContact CG-CG2 4.14Å; L73-T77 PolarHBondContact O-N 3.46Å; L73-T77 VanDerWaalsContact O-N 3.13Å; L73-T77 PolarHBondContact O-OG1 3.28Å; T77-P79 VanDerWaalsContact C-CD 3.4Å
78Q97.3Very high96.7Very high46 Ų4633.1 Ų33.122%0.21519%0.185CC..SBendtrans-129.553.2179.2-57.4-60-22.100112.5D54 L74 A80 I81 I82D54-Q78 HydrophobicContact CB-CG 4.42Å; D54-Q78 PolarHBondContact O-NE2 2.89Å; L74-Q78 HydrophobicContact CB-CB 4.3Å; L74-Q78 HydrophobicContact CD2-CB 4.05Å; L74-Q78 HydrophobicContact CD2-CG 3.74Å; L74-Q78 CarbonylContact O-C 3.55Å; L74-Q78 VanDerWaalsContact O-CA 3.31Å; L74-Q78 WeakPolarHBondContact O-CA 3.36Å; L74-Q78 PolarHBondContact O-N 2.85Å; Q78-A80 PolarHBondContact O-N 3.08Å; Q78-A80 VanDerWaalsContact O-N 3.09Å; Q78-I81 HydrophobicContact CB-CB 4.38Å; Q78-I81 HydrophobicContact CB-CD1 4.07Å; Q78-I81 HydrophobicContact CB-CG1 4.33Å; Q78-I81 HydrophobicContact CG-CD1 4.43Å; Q78-I81 PolarHBondContact O-N 2.98Å; Q78-I81 VanDerWaalsContact O-N 3.07Å; Q78-I82 PolarHBondContact O-N 3.35Å
79P97.5Very high97.1Very high53 Ų5328.3 Ų28.334%0.34417%0.165SC..Hα-helixtrans-62.3-27.1-170.525.1-35.7000113.6T77 Y83 L128T77-P79 VanDerWaalsContact C-CD 3.4Å; P79-Y83 WeakPolarHBondContact O-CB 3.3Å; P79-Y83 PolarHBondContact O-N 3.06Å; P79-L128 HydrophobicContact CB-CD1 3.83Å; P79-L128 HydrophobicContact CB-CD2 4.05Å
80A97.4Very high97.6Very high65 Ų6526.4 Ų26.454%0.53715%0.145SC..Hα-helixtrans-67.6-37.917800000112.5Q78 N84Q78-A80 PolarHBondContact O-N 3.08Å; Q78-A80 VanDerWaalsContact O-N 3.09Å; A80-N84 WeakPolarHBondContact O-CB 3.24Å; A80-N84 PolarHBondContact O-N 3.18Å; A80-N84 PolarHBondContact O-ND2 2.94Å
81I97.6Very high97.7Very high31 Ų3131.5 Ų31.516%0.15917%0.169CC..Hα-helixtrans-66.7-51.8178.7-63-177.9000109.3E48 L50 Q78 Y83 N84 I85E48-I81 HydrophobicContact CG-CG2 3.89Å; L50-I81 HydrophobicContact CD1-CD1 4.33Å; L50-I81 HydrophobicContact CD2-CD1 3.85Å; Q78-I81 HydrophobicContact CB-CB 4.38Å; Q78-I81 HydrophobicContact CB-CD1 4.07Å; Q78-I81 HydrophobicContact CB-CG1 4.33Å; Q78-I81 HydrophobicContact CG-CD1 4.43Å; Q78-I81 PolarHBondContact O-N 2.98Å; Q78-I81 VanDerWaalsContact O-N 3.07Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.98Å; I81-N84 PolarHBondContact O-N 3.44Å; I81-N84 VanDerWaalsContact O-N 3.07Å; I81-I85 HydrophobicContact CG2-CD1 3.97Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 2.95Å
82I98.1Very high97.7Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-59.3-43.7179.1-58.7-55.4000111.5M41 I45 L74 Q78 N84 I85 H86 N100M41-I82 HydrophobicContact CE-CG2 4.32Å; M41-I82 HydrophobicContact SD-CD1 4.05Å; I45-I82 HydrophobicContact CD1-CD1 3.73Å; I45-I82 HydrophobicContact CG1-CD1 4Å; L74-I82 HydrophobicContact CB-CD1 3.92Å; L74-I82 HydrophobicContact CB-CG1 3.93Å; Q78-I82 PolarHBondContact O-N 3.35Å; I82-N84 VanDerWaalsContact C-N 3.33Å; I82-N84 PolarHBondContact O-N 3.02Å; I82-I85 PolarHBondContact O-N 3.3Å; I82-H86 PolarHBondContact O-CD2 3.12Å; I82-H86 PolarHBondContact O-N 3.03Å; I82-H86 VanDerWaalsContact O-N 3.12Å; I82-N100 HydrophobicContact CG2-CB 4.01Å
83Y98.5Very high97.6Very high32 Ų3230.7 Ų30.713%0.12517%0.17CC..Hα-helixtrans-58.7-42.9174.7172.2-95.4000112.7P79 I81 K87 K131 A132 D135P79-Y83 WeakPolarHBondContact O-CB 3.3Å; P79-Y83 PolarHBondContact O-N 3.06Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.98Å; Y83-K87 HydrophobicContact CE1-CD 4.28Å; Y83-K87 WeakPolarHBondContact O-CB 3.21Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-K87 VanDerWaalsContact O-N 3.08Å; Y83-K131 HydrophobicContact CD2-CD 4.29Å; Y83-K131 HydrophobicContact CD2-CG 4.49Å; Y83-K131 HydrophobicContact CE2-CB 4.38Å; Y83-K131 HydrophobicContact CE2-CD 4.06Å; Y83-K131 HydrophobicContact CE2-CG 3.96Å; Y83-A132 HydrophobicContact CD2-CB 3.88Å; Y83-A132 HydrophobicContact CE2-CB 3.77Å; Y83-D135 PolarHBondContact OH-OD2 3.07Å
84N98Very high97.6Very high81 Ų8130.7 Ų30.743%0.43317%0.17SC..Hα-helixtrans-66.7-42179.4-73.3-21.6000111.6A80 I81 I82 H86 K87 E88A80-N84 WeakPolarHBondContact O-CB 3.24Å; A80-N84 PolarHBondContact O-N 3.18Å; A80-N84 PolarHBondContact O-ND2 2.94Å; I81-N84 PolarHBondContact O-N 3.44Å; I81-N84 VanDerWaalsContact O-N 3.07Å; I82-N84 VanDerWaalsContact C-N 3.33Å; I82-N84 PolarHBondContact O-N 3.02Å; N84-H86 PolarHBondContact O-N 3.49Å; N84-K87 WeakPolarHBondContact O-CB 3.32Å; N84-K87 PolarHBondContact O-N 3.26Å; N84-K87 VanDerWaalsContact O-N 3.11Å; N84-E88 WeakPolarHBondContact O-CG 3.41Å; N84-E88 PolarHBondContact O-N 3.43Å
85I98.3Very high97.6Very high3 Ų331 Ų312%0.01517%0.172CC..Hα-helixtrans-58.5-48.3176.7-66.6167.6000110.9M41 M44 I45 I81 I82 K87 E88 Y89M41-I85 HydrophobicContact CE-CB 4.38Å; M41-I85 HydrophobicContact CE-CG2 3.84Å; M41-I85 HydrophobicContact SD-CB 4.16Å; M41-I85 HydrophobicContact SD-CD1 4.01Å; M41-I85 HydrophobicContact SD-CG2 3.65Å; M44-I85 HydrophobicContact CB-CD1 3.82Å; M44-I85 HydrophobicContact CB-CG1 3.97Å; M44-I85 HydrophobicContact CB-CG2 3.72Å; M44-I85 HydrophobicContact CG-CG2 3.96Å; I45-I85 HydrophobicContact CG1-CD1 3.87Å; I81-I85 HydrophobicContact CG2-CD1 3.97Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 2.95Å; I82-I85 PolarHBondContact O-N 3.3Å; I85-K87 VanDerWaalsContact C-N 3.29Å; I85-K87 PolarHBondContact O-N 3.44Å; I85-E88 PolarHBondContact O-N 3.5Å; I85-Y89 HydrophobicContact CG2-CD2 3.92Å; I85-Y89 HydrophobicContact CG2-CE2 3.72Å; I85-Y89 WeakPolarHBondContact O-CD2 3.29Å; I85-Y89 PolarHBondContact O-N 2.92Å; I85-Y89 VanDerWaalsContact O-N 3.15Å
86H98.6Very high97.6Very high0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-56.8-44.7174.6-72.1-49.2000111.9M41 I82 N84 E88 Y89 L90 I97 E98 A132M41-H86 WeakPolarHBondContact CE-CE1 3.31Å; I82-H86 PolarHBondContact O-CD2 3.12Å; I82-H86 PolarHBondContact O-N 3.03Å; I82-H86 VanDerWaalsContact O-N 3.12Å; N84-H86 PolarHBondContact O-N 3.49Å; H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 2.97Å; H86-Y89 PolarHBondContact O-N 3.36Å; H86-L90 WeakPolarHBondContact O-CB 3.47Å; H86-L90 VanDerWaalsContact O-CG 3.27Å; H86-L90 WeakPolarHBondContact O-CG 3.37Å; H86-L90 PolarHBondContact O-N 3.04Å; H86-I97 HydrophobicContact CB-CD1 3.88Å; H86-E98 PolarHBondContact CE1-O 3.06Å; H86-A132 HydrophobicContact CB-CB 3.74Å
87K97.7Very high97.7Very high54 Ų5429 Ų2924%0.23516%0.161CC..Hα-helixtrans-63-38.9180-168.5179.4179.2-173.70111.8Y83 N84 I85 L90 Q91 V136Y83-K87 HydrophobicContact CE1-CD 4.28Å; Y83-K87 WeakPolarHBondContact O-CB 3.21Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-K87 VanDerWaalsContact O-N 3.08Å; N84-K87 WeakPolarHBondContact O-CB 3.32Å; N84-K87 PolarHBondContact O-N 3.26Å; N84-K87 VanDerWaalsContact O-N 3.11Å; I85-K87 VanDerWaalsContact C-N 3.29Å; I85-K87 PolarHBondContact O-N 3.44Å; K87-L90 PolarHBondContact O-N 3.21Å; K87-Q91 HydrophobicContact CG-CG 4.44Å; K87-Q91 WeakPolarHBondContact O-CB 3.43Å; K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 3.07Å; K87-V136 HydrophobicContact CG-CG2 3.97Å
88E97.8Very high97.8Very high81 Ų8129.4 Ų29.438%0.37916%0.161SC..Hα-helixtrans-63.6-45.5177.3-74.7179.7-163.800112.3M44 N84 I85 H86 Q91 A92 P332M44-E88 VanDerWaalsContact CE-OE2 3.29Å; M44-E88 WeakPolarHBondContact CE-OE2 3.21Å; N84-E88 WeakPolarHBondContact O-CG 3.41Å; N84-E88 PolarHBondContact O-N 3.43Å; I85-E88 PolarHBondContact O-N 3.5Å; H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 2.97Å; E88-Q91 PolarHBondContact O-N 3.09Å; E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.92Å; E88-P332 HydrophobicContact CB-CG 3.97Å
89Y98.4Very high97.8Very high0 Ų027.4 Ų27.40%015%0.153CC..Hα-helixtrans-63.9-42.8175.4-77.1-63.1000112.6D38 G39 G40 M44 I85 H86 Q91 A92 G93 A94 T330 P332 I335D38-Y89 HydrophobicContact CB-CD1 4.05Å; D38-Y89 HydrophobicContact CB-CD2 4.08Å; D38-Y89 HydrophobicContact CB-CG 3.71Å; G39-Y89 VanDerWaalsContact N-CE1 3.33Å; G40-Y89 PolarHBondContact N-OH 3.4Å; G40-Y89 PolarHBondContact O-OH 2.95Å; M44-Y89 HydrophobicContact CG-CE2 3.76Å; M44-Y89 VanDerWaalsContact CG-OH 3.24Å; M44-Y89 WeakPolarHBondContact CG-OH 3.48Å; I85-Y89 HydrophobicContact CG2-CD2 3.92Å; I85-Y89 HydrophobicContact CG2-CE2 3.72Å; I85-Y89 WeakPolarHBondContact O-CD2 3.29Å; I85-Y89 PolarHBondContact O-N 2.92Å; I85-Y89 VanDerWaalsContact O-N 3.15Å; H86-Y89 PolarHBondContact O-N 3.36Å; Y89-Q91 VanDerWaalsContact C-N 3.31Å; Y89-Q91 PolarHBondContact O-N 2.94Å; Y89-A92 WeakPolarHBondContact O-CB 3.35Å; Y89-A92 PolarHBondContact O-N 3.33Å; Y89-A92 VanDerWaalsContact O-N 3.14Å; Y89-G93 PolarHBondContact O-N 3.38Å; Y89-A94 WeakPolarHBondContact O-CB 3.47Å; Y89-A94 PolarHBondContact O-N 2.93Å; Y89-A94 VanDerWaalsContact O-N 3.09Å; Y89-T330 PolarHBondContact OH-O 3.21Å; Y89-P332 HydrophobicContact CD1-CB 4.35Å; Y89-P332 HydrophobicContact CD1-CG 3.92Å; Y89-P332 HydrophobicContact CE1-CG 3.91Å; Y89-P332 HydrophobicContact CG-CG 4.35Å; Y89-I335 HydrophobicContact CD1-CB 4.27Å; Y89-I335 HydrophobicContact CD1-CG1 3.64Å; Y89-I335 HydrophobicContact CE1-CG1 3.78Å
90L98.1Very high97.9Very high1 Ų125.3 Ų25.31%0.00514%0.138CC..Hα-helixtrans-62.4-37.6175.5-71171.4000112.6H86 K87 G93 I97 A132 A133 V136 R144H86-L90 WeakPolarHBondContact O-CB 3.47Å; H86-L90 VanDerWaalsContact O-CG 3.27Å; H86-L90 WeakPolarHBondContact O-CG 3.37Å; H86-L90 PolarHBondContact O-N 3.04Å; K87-L90 PolarHBondContact O-N 3.21Å; L90-G93 PolarHBondContact O-N 2.93Å; L90-I97 HydrophobicContact CD1-CD1 3.93Å; L90-I97 HydrophobicContact CD1-CG2 4.46Å; L90-I97 HydrophobicContact CD2-CD1 4.49Å; L90-I97 HydrophobicContact CD2-CG1 4.32Å; L90-I97 HydrophobicContact CD2-CG2 3.61Å; L90-I97 HydrophobicContact CG-CD1 4.32Å; L90-I97 HydrophobicContact CG-CG2 3.68Å; L90-A132 HydrophobicContact CD1-CB 4.17Å; L90-A133 HydrophobicContact CD1-CB 4.47Å; L90-V136 HydrophobicContact CB-CB 4.17Å; L90-V136 HydrophobicContact CB-CG1 4.01Å; L90-V136 HydrophobicContact CB-CG2 3.91Å; L90-V136 HydrophobicContact CD1-CB 4.13Å; L90-V136 HydrophobicContact CD1-CG2 3.93Å; L90-R144 HydrophobicContact CD2-CB 3.85Å; L90-R144 HydrophobicContact CD2-CG 3.81Å
91Q96.3Very high97.9Very high109 Ų10922.2 Ų22.251%0.50911%0.113SC..Hα-helixtrans-73.6-27.3175.1-74.5178.3-16.600112.7K87 E88 Y89 G93K87-Q91 HydrophobicContact CG-CG 4.44Å; K87-Q91 WeakPolarHBondContact O-CB 3.43Å; K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 3.07Å; E88-Q91 PolarHBondContact O-N 3.09Å; Y89-Q91 VanDerWaalsContact C-N 3.31Å; Y89-Q91 PolarHBondContact O-N 2.94Å; Q91-G93 VanDerWaalsContact C-N 3.3Å
92A96.9Very high97.9Very high7 Ų724.4 Ų24.46%0.05812%0.121CC..Hα-helixtrans-70.6-26.6173.900000112.9E88 Y89 P332 I335 R336E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.92Å; Y89-A92 WeakPolarHBondContact O-CB 3.35Å; Y89-A92 PolarHBondContact O-N 3.33Å; Y89-A92 VanDerWaalsContact O-N 3.14Å; A92-P332 HydrophobicContact CB-CB 3.97Å; A92-P332 WeakPolarHBondContact CB-O 3.44Å; A92-I335 HydrophobicContact CB-CB 4.29Å; A92-I335 HydrophobicContact CB-CG2 4.24Å; A92-R336 HydrophobicContact CB-CB 4.26Å; A92-R336 VanDerWaalsContact O-CA 3.28Å; A92-R336 WeakPolarHBondContact O-CA 3.44Å
93G95.5Very high97.8Very high21 Ų2126.2 Ų26.222%0.21613%0.134CC..THydrogen-bonded Turntrans137.70.1176.200000115Y89 L90 Q91 D95Y89-G93 PolarHBondContact O-N 3.38Å; L90-G93 PolarHBondContact O-N 2.93Å; Q91-G93 VanDerWaalsContact C-N 3.3Å; G93-D95 PolarHBondContact O-N 3.01Å
94A97.8Very high97.7Very high0 Ų024.7 Ų24.70%013%0.128CC..  trans-59.8133.4177.500000111.5D38 Y89 I97 R144 I335D38-A94 HydrophobicContact CB-CB 4.2Å; Y89-A94 WeakPolarHBondContact O-CB 3.47Å; Y89-A94 PolarHBondContact O-N 2.93Å; Y89-A94 VanDerWaalsContact O-N 3.09Å; A94-I97 HydrophobicContact CB-CG2 4.41Å; A94-R144 WeakPolarHBondContact O-CD 3.27Å; A94-R144 PolarHBondContact O-NE 3.43Å; A94-R144 PolarHBondContact O-NH1 3.38Å; A94-I335 HydrophobicContact CB-CG2 4.18Å
95D97.8Very high97.7Very high5 Ų520.9 Ų20.93%0.02711%0.107CC..SBendtrans-89.1-31.9170.7-67-60.4000111.9R33 M35 V36 G93 R144 Y145R33-D95 IonicContact CZ-OD1 3.16Å; R33-D95 IonicContact CZ-OD2 3.92Å; R33-D95 IonicContact NH1-OD1 2.74Å; R33-D95 PolarHBondContact NH1-OD1 3Å; R33-D95 IonicContact NH1-OD2 2.62Å; R33-D95 PolarHBondContact NH1-OD2 3.36Å; R33-D95 VanDerWaalsContact NH2-CG 3.34Å; R33-D95 IonicContact NH2-OD1 2.72Å; R33-D95 PolarHBondContact NH2-OD1 2.98Å; R33-D95 IonicContact NH2-OD2 3.82Å; M35-D95 WeakPolarHBondContact CA-OD2 3.41Å; M35-D95 HydrophobicContact CB-CB 4.3Å; M35-D95 HydrophobicContact CE-CB 3.69Å; V36-D95 PolarHBondContact N-OD2 2.93Å; V36-D95 WeakPolarHBondContact O-CA 3.43Å; V36-D95 PolarHBondContact O-N 3.36Å; G93-D95 PolarHBondContact O-N 3.01Å; D95-R144 WeakPolarHBondContact O-CA 3.43Å; D95-R144 IonicContact OD1-NH1 3.91Å; D95-R144 PolarHBondContact OD1-NH1 3.14Å; D95-Y145 PolarHBondContact O-N 3.17Å
96I98.5Very high97.6Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-125.4134.2-177.8-48.3177.7000107.2M35 V36 L37 D38 Y145 A147 I194 F227 I323M35-I96 HydrophobicContact CE-CD1 4.06Å; M35-I96 HydrophobicContact CE-CG1 3.9Å; V36-I96 PolarHBondContact O-N 3.22Å; L37-I96 WeakPolarHBondContact CA-O 3.42Å; L37-I96 HydrophobicContact CD1-CB 3.81Å; L37-I96 HydrophobicContact CD1-CG2 3.68Å; D38-I96 PolarHBondContact N-O 3.12Å; D38-I96 VanDerWaalsContact N-O 3.13Å; I96-Y145 WeakPolarHBondContact CA-O 3.28Å; I96-A147 HydrophobicContact CG2-CB 3.86Å; I96-I194 HydrophobicContact CD1-CD1 4.18Å; I96-I194 HydrophobicContact CG2-CD1 4.07Å; I96-F227 HydrophobicContact CD1-CE2 3.96Å; I96-F227 HydrophobicContact CD1-CZ 4.35Å; I96-I323 HydrophobicContact CD1-CD1 4.08Å
97I98.3Very high97.5Very high0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-118.3141.517049.7166.6000110.5D38 H86 L90 A94 A129 A133 Y145 V146 A147D38-I97 HydrophobicContact CB-CG2 3.98Å; H86-I97 HydrophobicContact CB-CD1 3.88Å; L90-I97 HydrophobicContact CD1-CD1 3.93Å; L90-I97 HydrophobicContact CD1-CG2 4.46Å; L90-I97 HydrophobicContact CD2-CD1 4.49Å; L90-I97 HydrophobicContact CD2-CG1 4.32Å; L90-I97 HydrophobicContact CD2-CG2 3.61Å; L90-I97 HydrophobicContact CG-CD1 4.32Å; L90-I97 HydrophobicContact CG-CG2 3.68Å; A94-I97 HydrophobicContact CB-CG2 4.41Å; I97-A129 HydrophobicContact CD1-CB 4Å; I97-A133 HydrophobicContact CD1-CB 4.41Å; I97-Y145 PolarHBondContact N-O 3.47Å; I97-V146 HydrophobicContact CD1-CG2 4.44Å; I97-V146 HydrophobicContact CG1-CG2 4.31Å; I97-V146 WeakPolarHBondContact O-CA 3.1Å; I97-A147 PolarHBondContact O-N 2.94Å
98E98.5Very high97.3Very high28 Ų2821 Ų2113%0.13112%0.115CC..EExtended strand (participates in β ladder)trans-76.9148.1171.8-66.5175.4-159.500110.9L37 D38 H86 A147 A149 L196L37-E98 HydrophobicContact CD1-CG 4.08Å; L37-E98 WeakPolarHBondContact CD2-OE1 3.31Å; D38-E98 PolarHBondContact OD1-N 3.34Å; D38-E98 PolarHBondContact OD2-N 3.41Å; H86-E98 PolarHBondContact CE1-O 3.06Å; E98-A147 CarbonylContact C-O 3.5Å; E98-A147 WeakPolarHBondContact CA-O 3.17Å; E98-A149 HydrophobicContact CB-CB 4.42Å; E98-L196 HydrophobicContact CG-CD2 3.92Å
99T98.7Very high97.2Very high5 Ų517.1 Ų17.13%0.03110%0.097CC..  trans-74.6147.1166.251.20000110T101 A126 A129 V146 A147 G148 A149 L187T99-T101 PolarHBondContact O-N 3.14Å; T99-T101 PolarHBondContact O-OG1 2.88Å; T99-T101 PolarHBondContact OG1-OG1 3.13Å; T99-A126 HydrophobicContact CG2-CB 4.04Å; T99-A129 HydrophobicContact CG2-CB 4.03Å; T99-V146 HydrophobicContact CG2-CG1 3.43Å; T99-V146 VanDerWaalsContact CG2-CG1 3.43Å; T99-A147 PolarHBondContact N-O 2.88Å; T99-A147 PolarHBondContact OG1-O 2.99Å; T99-G148 WeakPolarHBondContact OG1-CA 3.41Å; T99-A149 PolarHBondContact OG1-N 2.95Å; T99-L187 HydrophobicContact CG2-CD2 4.34Å
100N98.3Very high97.1Very high8 Ų819.1 Ų19.14%0.04311%0.113CC..SBendtrans-74.471172.2-178.638.6000110.2M41 N71 S75 I82 S125M41-N100 HydrophobicContact CE-CB 4.35Å; M41-N100 HydrophobicContact CG-CB 4.26Å; N71-N100 PolarHBondContact O-ND2 2.99Å; S75-N100 PolarHBondContact OG-ND2 3.19Å; I82-N100 HydrophobicContact CG2-CB 4.01Å; N100-S125 VanDerWaalsContact C-OG 3.24Å; N100-S125 WeakPolarHBondContact CA-OG 3.22Å; N100-S125 WeakPolarHBondContact CB-OG 3.26Å; N100-S125 PolarHBondContact N-OG 2.65Å; N100-S125 PolarHBondContact O-OG 3.07Å
101T98.1Very high96.7Very high0 Ų023.9 Ų23.90%014%0.139CC..  trans-139.717.4-170.455.70000114.4D72 T99 S103 S104 N122 S125 A149 Q183 L187D72-T101 WeakPolarHBondContact OD1-CA 3.33Å; T99-T101 PolarHBondContact O-N 3.14Å; T99-T101 PolarHBondContact O-OG1 2.88Å; T99-T101 PolarHBondContact OG1-OG1 3.13Å; T101-S103 PolarHBondContact O-N 3.16Å; T101-S104 WeakPolarHBondContact CA-OG 3.32Å; T101-S104 PolarHBondContact O-N 3.11Å; T101-N122 VanDerWaalsContact CB-OD1 3.31Å; T101-N122 WeakPolarHBondContact CB-OD1 3.36Å; T101-N122 HydrophobicContact CG2-CB 4.42Å; T101-N122 WeakPolarHBondContact CG2-OD1 3.35Å; T101-S125 VanDerWaalsContact CG2-CB 3.41Å; T101-S125 WeakPolarHBondContact CG2-OG 3.38Å; T101-A149 PolarHBondContact OG1-O 2.62Å; T101-Q183 PolarHBondContact O-NE2 2.85Å; T101-L187 HydrophobicContact CG2-CD2 3.89Å
102F97.3Very high96.6Very high78 Ų7821.4 Ų21.434%0.34213%0.125SC..THydrogen-bonded Turntrans-53.2-39.7-177.6-170.5-95.3000113D72 G151 P152 E198 T199D72-F102 PolarHBondContact OD1-N 2.93Å; D72-F102 VanDerWaalsContact OD1-N 3.16Å; F102-G151 VanDerWaalsContact O-CA 3.3Å; F102-G151 WeakPolarHBondContact O-CA 3.46Å; F102-G151 PolarHBondContact O-N 3.08Å; F102-P152 VanDerWaalsContact CZ-CD 3.48Å; F102-P152 HydrophobicContact CZ-CG 4.24Å; F102-E198 HydrophobicContact CD2-CG 4.49Å; F102-E198 WeakPolarHBondContact CD2-OE1 3.49Å; F102-E198 HydrophobicContact CE2-CG 4.4Å; F102-T199 HydrophobicContact CE2-CG2 4.36Å; F102-T199 WeakPolarHBondContact CE2-OG1 3.35Å; F102-T199 HydrophobicContact CZ-CG2 4.05Å
103S95.9Very high96.5Very high37 Ų3722.4 Ų22.426%0.25914%0.136SC..THydrogen-bonded Turntrans-111.915.9-178.5-49.60000113.2D72 T101 T105 A108 Q109D72-S103 VanDerWaalsContact OD1-C 3.31Å; D72-S103 WeakPolarHBondContact OD1-CA 3.42Å; D72-S103 PolarHBondContact OD1-N 3.3Å; D72-S103 WeakPolarHBondContact OD2-CB 3.27Å; D72-S103 PolarHBondContact OD2-N 3.16Å; T101-S103 PolarHBondContact O-N 3.16Å; S103-T105 PolarHBondContact O-N 3.2Å; S103-A108 WeakPolarHBondContact O-CB 3.36Å; S103-Q109 PolarHBondContact O-NE2 3.39Å
104S97.3Very high96.6Very high0 Ų021.9 Ų21.90%013%0.128CC..  trans-80.844.9-175.4-69.70000113D72 T101 N122D72-S104 WeakPolarHBondContact CB-OG 3.2Å; D72-S104 WeakPolarHBondContact OD1-CB 3.49Å; D72-S104 PolarHBondContact OD1-N 3.35Å; D72-S104 PolarHBondContact OD1-OG 3.15Å; T101-S104 WeakPolarHBondContact CA-OG 3.32Å; T101-S104 PolarHBondContact O-N 3.11Å; S104-N122 WeakPolarHBondContact CB-ND2 3.3Å; S104-N122 WeakPolarHBondContact CB-OD1 3.49Å; S104-N122 PolarHBondContact O-ND2 3.46Å
105T97.7Very high96.5Very high1 Ų125.4 Ų25.41%0.00615%0.145CC..SBendtrans-111.3153173.156.80000109.9S103 V107 A108 Q109 T153 Y180 Q183S103-T105 PolarHBondContact O-N 3.2Å; T105-V107 PolarHBondContact O-N 3.1Å; T105-A108 PolarHBondContact O-N 2.87Å; T105-A108 WeakPolarHBondContact OG1-CB 3.38Å; T105-A108 PolarHBondContact OG1-N 3.01Å; T105-Q109 VanDerWaalsContact O-CB 3.3Å; T105-Q109 WeakPolarHBondContact O-CB 3.36Å; T105-Q109 VanDerWaalsContact O-CG 3.26Å; T105-Q109 WeakPolarHBondContact O-CG 3.27Å; T105-Q109 PolarHBondContact O-N 3Å; T105-T153 HydrophobicContact CG2-CG2 4.19Å; T105-Y180 HydrophobicContact CG2-CD1 4.18Å; T105-Y180 HydrophobicContact CG2-CE1 4.09Å; T105-Q183 HydrophobicContact CG2-CB 4.35Å
106S96.5Very high96.5Very high31 Ų3133.3 Ų33.322%0.21718%0.181CC..Hα-helixtrans-57-31.2174.153.20000112.4A110 E115 A179S106-A110 PolarHBondContact O-N 3.44Å; S106-E115 VanDerWaalsContact O-CG 3.3Å; S106-E115 WeakPolarHBondContact O-CG 3.4Å; S106-A179 WeakPolarHBondContact OG-CB 3.44Å
107V95.3Very high96.4Very high21 Ų2134.5 Ų34.513%0.12719%0.188CC..Hα-helixtrans-66.4-52.3177-179.30000112.1T105 A110 T153 K155 I171 L176 A179T105-V107 PolarHBondContact O-N 3.1Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 2.91Å; V107-T153 HydrophobicContact CB-CG2 4.29Å; V107-T153 HydrophobicContact CG1-CG2 4.48Å; V107-K155 HydrophobicContact CG1-CB 4.46Å; V107-K155 HydrophobicContact CG1-CG 3.65Å; V107-I171 HydrophobicContact CB-CD1 4.34Å; V107-I171 HydrophobicContact CG1-CD1 3.82Å; V107-I171 HydrophobicContact CG2-CD1 3.5Å; V107-I171 VanDerWaalsContact CG2-CD1 3.5Å; V107-L176 HydrophobicContact CG2-CD2 4.31Å; V107-A179 HydrophobicContact CG2-CB 3.83Å
108A94.1Very high96.4Very high8 Ų834.5 Ų34.57%0.06619%0.188CC..Hα-helixtrans-74.9-33.4-178.300000112.1S103 T105 A110 D111S103-A108 WeakPolarHBondContact O-CB 3.36Å; T105-A108 PolarHBondContact O-N 2.87Å; T105-A108 WeakPolarHBondContact OG1-CB 3.38Å; T105-A108 PolarHBondContact OG1-N 3.01Å; A108-A110 PolarHBondContact O-N 3.36Å; A108-D111 PolarHBondContact O-N 2.95Å
109Q96.8Very high96.4Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-70.7-14.2176.1-66.5-60.6-5100113.3N70 S103 T105 D111 Y112 G113 L114 L121N70-Q109 PolarHBondContact ND2-OE1 3.43Å; N70-Q109 PolarHBondContact OD1-NE2 3.45Å; N70-Q109 VanDerWaalsContact OD1-NE2 3.12Å; S103-Q109 PolarHBondContact O-NE2 3.39Å; T105-Q109 VanDerWaalsContact O-CB 3.3Å; T105-Q109 WeakPolarHBondContact O-CB 3.36Å; T105-Q109 VanDerWaalsContact O-CG 3.26Å; T105-Q109 WeakPolarHBondContact O-CG 3.27Å; T105-Q109 PolarHBondContact O-N 3Å; Q109-D111 VanDerWaalsContact C-N 3.26Å; Q109-D111 PolarHBondContact O-N 2.93Å; Q109-Y112 CarbonylContact O-C 3.52Å; Q109-Y112 PolarHBondContact O-N 3.03Å; Q109-Y112 VanDerWaalsContact O-N 3.09Å; Q109-G113 PolarHBondContact O-N 3.34Å; Q109-L114 HydrophobicContact CB-CB 4.19Å; Q109-L114 PolarHBondContact O-N 3.12Å; Q109-L121 HydrophobicContact CG-CD1 3.97Å
110A94.5Very high96.3Very high41 Ų4140.5 Ų40.534%0.33921%0.209SC..G310 helixtrans-62.7-32.2173.500000112.7S106 V107 A108 Y112 G113 E115S106-A110 PolarHBondContact O-N 3.44Å; V107-A110 WeakPolarHBondContact O-CB 3.49Å; V107-A110 PolarHBondContact O-N 2.91Å; A108-A110 PolarHBondContact O-N 3.36Å; A110-Y112 PolarHBondContact O-N 2.83Å; A110-Y112 VanDerWaalsContact O-N 3.15Å; A110-G113 PolarHBondContact O-N 2.91Å; A110-G113 VanDerWaalsContact O-N 3.08Å; A110-E115 HydrophobicContact CB-CG 3.66Å
111D90.9Very high96.3Very high102 Ų10240.1 Ų40.155%0.54521%0.207SC..G310 helixtrans-62.7-21.7175.6-69.4-7.4000112A108 Q109 N154A108-D111 PolarHBondContact O-N 2.95Å; Q109-D111 VanDerWaalsContact C-N 3.26Å; Q109-D111 PolarHBondContact O-N 2.93Å; D111-N154 PolarHBondContact OD1-ND2 3.46Å; D111-N154 PolarHBondContact OD2-ND2 3.01Å
112Y94.2Very high96.4Very high56 Ų5640.1 Ų40.122%0.2221%0.207CC..G310 helixtrans-108.7-0.4177.3-56.2-76000113.2H63 L67 N70 Q109 A110H63-Y112 PolarHBondContact NE2-O 2.98Å; L67-Y112 HydrophobicContact CD2-CD1 4.43Å; N70-Y112 HydrophobicContact CB-CD1 3.89Å; N70-Y112 HydrophobicContact CB-CD2 3.96Å; N70-Y112 HydrophobicContact CB-CE1 3.74Å; N70-Y112 HydrophobicContact CB-CE2 3.81Å; N70-Y112 HydrophobicContact CB-CG 4Å; N70-Y112 WeakPolarHBondContact ND2-CD2 3.47Å; Q109-Y112 CarbonylContact O-C 3.52Å; Q109-Y112 PolarHBondContact O-N 3.03Å; Q109-Y112 VanDerWaalsContact O-N 3.09Å; A110-Y112 PolarHBondContact O-N 2.83Å; A110-Y112 VanDerWaalsContact O-N 3.15Å
113G95.4Very high96.4Very high28 Ų2841.4 Ų41.429%0.28921%0.21SC..THydrogen-bonded Turntrans64.434.9-175.200000114.4H63 Q109 A110 E115H63-G113 PolarHBondContact CE1-O 3.15Å; Q109-G113 PolarHBondContact O-N 3.34Å; A110-G113 PolarHBondContact O-N 2.91Å; A110-G113 VanDerWaalsContact O-N 3.08Å; G113-E115 VanDerWaalsContact C-OE2 3.22Å
114L96.3Very high96.6Very high10 Ų1040.6 Ų40.65%0.05221%0.205CC..  trans-122.126.2-176-65-178000113.1F60 L67 L73 Q109 Q116 L117F60-L114 HydrophobicContact CD1-CD2 4.24Å; F60-L114 HydrophobicContact CE1-CD2 4.12Å; L67-L114 HydrophobicContact CD2-CD1 3.83Å; L67-L114 HydrophobicContact CD2-CG 4.35Å; L73-L114 HydrophobicContact CD1-CD1 3.98Å; L73-L114 HydrophobicContact CD2-CD1 3.92Å; L73-L114 HydrophobicContact CG-CD1 4.49Å; Q109-L114 HydrophobicContact CB-CB 4.19Å; Q109-L114 PolarHBondContact O-N 3.12Å; L114-Q116 PolarHBondContact O-N 3.01Å; L114-Q116 VanDerWaalsContact O-N 3.15Å; L114-L117 HydrophobicContact CB-CD1 4.28Å; L114-L117 HydrophobicContact CD1-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD1 3.8Å; L114-L117 HydrophobicContact CG-CD1 4.37Å; L114-L117 WeakPolarHBondContact O-CB 3.42Å; L114-L117 PolarHBondContact O-N 3.28Å
115E96.6Very high96.6Very high74 Ų7440.6 Ų40.635%0.34621%0.205SC..G310 helixtrans-54.2-40.4-174-56.595.1136.700112.6S106 A110 G113 L117 A118S106-E115 VanDerWaalsContact O-CG 3.3Å; S106-E115 WeakPolarHBondContact O-CG 3.4Å; A110-E115 HydrophobicContact CB-CG 3.66Å; G113-E115 VanDerWaalsContact C-OE2 3.22Å; E115-L117 PolarHBondContact O-N 2.76Å; E115-A118 PolarHBondContact O-N 3.01Å
116Q96.6Very high96.7Very high171 Ų17140.5 Ų40.580%0.79921%0.205SC*.G310 helixtrans-69.5-12.6-178.5-57.4-58.4-42.200113.5L114L114-Q116 PolarHBondContact O-N 3.01Å; L114-Q116 VanDerWaalsContact O-N 3.15Å
117L97.1Very high96.8Very high26 Ų2643.2 Ų43.214%0.13621%0.214CC..G310 helixtrans-90.7-6.8179-64.8-175000113.4F60 L114 E115 Y119 R120 L121F60-L117 HydrophobicContact CE1-CD1 3.63Å; F60-L117 HydrophobicContact CE2-CD1 4.44Å; F60-L117 HydrophobicContact CZ-CD1 3.4Å; L114-L117 HydrophobicContact CB-CD1 4.28Å; L114-L117 HydrophobicContact CD1-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD1 3.8Å; L114-L117 HydrophobicContact CG-CD1 4.37Å; L114-L117 WeakPolarHBondContact O-CB 3.42Å; L114-L117 PolarHBondContact O-N 3.28Å; E115-L117 PolarHBondContact O-N 2.76Å; L117-Y119 PolarHBondContact O-N 3.18Å; L117-R120 PolarHBondContact O-N 3.02Å; L117-L121 HydrophobicContact CB-CD1 4.01Å; L117-L121 HydrophobicContact CB-CG 4.1Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.04Å
118A97.8Very high96.9Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-49.5-51.6-174.100000112.8E115 R120 L121 N122 E182E115-A118 PolarHBondContact O-N 3.01Å; A118-R120 PolarHBondContact O-N 3.24Å; A118-L121 PolarHBondContact O-N 2.74Å; A118-N122 PolarHBondContact O-N 3.49Å; A118-N122 PolarHBondContact O-ND2 3.48Å; A118-E182 HydrophobicContact CB-CG 4.47Å
119Y98.5Very high97.1Very high52 Ų5243.1 Ų43.120%0.20421%0.211CC..Hα-helixtrans-59-45.8176.7174-99.4000113.1L117 R123 R185 D189L117-Y119 PolarHBondContact O-N 3.18Å; Y119-R123 WeakPolarHBondContact O-CB 3.47Å; Y119-R123 PolarHBondContact O-N 3.49Å; Y119-R185 HydrophobicContact CD2-CB 4.46Å; Y119-R185 HydrophobicContact CD2-CG 4.47Å; Y119-R185 HydrophobicContact CE2-CB 4.41Å; Y119-R185 HydrophobicContact CE2-CG 4.02Å; Y119-D189 WeakPolarHBondContact CE2-OD2 3.25Å; Y119-D189 PolarHBondContact OH-OD2 3Å
120R98.3Very high97.2Very high106 Ų10645 Ų4540%0.422%0.218SC..Hα-helixtrans-67.6-40.7-176.7179.9177.8170.6-156.9-7.4111.8E59 L76 L117 A118 R123 A124E59-R120 IonicContact OE1-CZ 2.77Å; E59-R120 IonicContact OE1-NH1 2.67Å; E59-R120 PolarHBondContact OE1-NH1 3.08Å; E59-R120 IonicContact OE1-NH2 3.75Å; E59-R120 PolarHBondContact OE1-NH2 3.4Å; E59-R120 IonicContact OE2-CZ 3.2Å; E59-R120 IonicContact OE2-NH1 3.51Å; E59-R120 IonicContact OE2-NH2 3.81Å; E59-R120 PolarHBondContact OE2-NH2 3.3Å; L76-R120 HydrophobicContact CD1-CG 4.47Å; L76-R120 HydrophobicContact CD2-CG 4.41Å; L117-R120 PolarHBondContact O-N 3.02Å; A118-R120 PolarHBondContact O-N 3.24Å; R120-R123 PolarHBondContact O-N 3.45Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.08Å
121L98.2Very high97.3Very high0 Ų048.4 Ų48.40%023%0.226CC..Hα-helixtrans-58.5-51.9176.5-74.9168.3000110.7L73 L76 Q109 L117 A118 R123 A124 S125L73-L121 HydrophobicContact CD1-CD2 4.06Å; L76-L121 HydrophobicContact CD1-CD2 3.59Å; L76-L121 HydrophobicContact CD1-CG 4.29Å; L76-L121 HydrophobicContact CG-CD2 3.92Å; Q109-L121 HydrophobicContact CG-CD1 3.97Å; L117-L121 HydrophobicContact CB-CD1 4.01Å; L117-L121 HydrophobicContact CB-CG 4.1Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.04Å; A118-L121 PolarHBondContact O-N 2.74Å; L121-R123 PolarHBondContact O-N 3.3Å; L121-A124 PolarHBondContact O-N 3.33Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 2.88Å
122N98.7Very high97.7Very high0 Ų043.6 Ų43.60%020%0.2CC..Hα-helixtrans-60.4-45.8179.6-75.9-72000112.6T101 S104 A118 S125 A126 Q183 L187T101-N122 VanDerWaalsContact CB-OD1 3.31Å; T101-N122 WeakPolarHBondContact CB-OD1 3.36Å; T101-N122 HydrophobicContact CG2-CB 4.42Å; T101-N122 WeakPolarHBondContact CG2-OD1 3.35Å; S104-N122 WeakPolarHBondContact CB-ND2 3.3Å; S104-N122 WeakPolarHBondContact CB-OD1 3.49Å; S104-N122 PolarHBondContact O-ND2 3.46Å; A118-N122 PolarHBondContact O-N 3.49Å; A118-N122 PolarHBondContact O-ND2 3.48Å; N122-S125 PolarHBondContact O-N 2.8Å; N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.3Å; N122-A126 PolarHBondContact O-N 2.86Å; N122-Q183 WeakPolarHBondContact ND2-CA 3.47Å; N122-Q183 WeakPolarHBondContact OD1-CG 3.37Å; N122-Q183 PolarHBondContact OD1-NE2 2.87Å; N122-Q183 VanDerWaalsContact OD1-NE2 3.07Å; N122-L187 HydrophobicContact CB-CD2 4.08Å; N122-L187 HydrophobicContact CB-CG 4.05Å
123R98.6Very high97.9Very high106 Ų10640.9 Ų40.940%0.419%0.189SC..Hα-helixtrans-62.7-48.9179.8-179176.4167.6176.9-1.6111.9Y119 R120 L121 S125 A126 E127 G186Y119-R123 WeakPolarHBondContact O-CB 3.47Å; Y119-R123 PolarHBondContact O-N 3.49Å; R120-R123 PolarHBondContact O-N 3.45Å; L121-R123 PolarHBondContact O-N 3.3Å; R123-S125 PolarHBondContact O-N 3.17Å; R123-A126 PolarHBondContact O-N 2.95Å; R123-E127 HydrophobicContact CG-CG 4.47Å; R123-E127 IonicContact CZ-OE1 3.56Å; R123-E127 IonicContact NE-OE1 2.84Å; R123-E127 PolarHBondContact NE-OE1 3.4Å; R123-E127 IonicContact NH2-OE1 3.36Å; R123-E127 PolarHBondContact NH2-OE1 3.09Å; R123-E127 WeakPolarHBondContact O-CB 3.36Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.49Å; R123-G186 VanDerWaalsContact CA-O 3.31Å; R123-G186 WeakPolarHBondContact CA-O 3.05Å
124A98.4Very high98Very high19 Ų1942.8 Ų42.816%0.15719%0.193CC..Hα-helixtrans-64.2-41.3-179.600000112L76 R120 L121 E127 L128L76-A124 HydrophobicContact CD2-CB 3.53Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 3.33Å; A124-E127 PolarHBondContact O-N 3.06Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 WeakPolarHBondContact O-CG 3.18Å; A124-L128 PolarHBondContact O-N 3Å
125S98.6Very high98Very high0 Ų044.3 Ų44.30%020%0.201CC..Hα-helixtrans-64.2-43.2177.4-169.20000111.9S75 N100 T101 L121 N122 R123 L128 A129S75-S125 PolarHBondContact OG-OG 2.74Å; N100-S125 VanDerWaalsContact C-OG 3.24Å; N100-S125 WeakPolarHBondContact CA-OG 3.22Å; N100-S125 WeakPolarHBondContact CB-OG 3.26Å; N100-S125 PolarHBondContact N-OG 2.65Å; N100-S125 PolarHBondContact O-OG 3.07Å; T101-S125 VanDerWaalsContact CG2-CB 3.41Å; T101-S125 WeakPolarHBondContact CG2-OG 3.38Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 2.88Å; N122-S125 PolarHBondContact O-N 2.8Å; R123-S125 PolarHBondContact O-N 3.17Å; S125-L128 PolarHBondContact O-N 3.34Å; S125-A129 PolarHBondContact O-N 2.8Å
126A98.6Very high98Very high0 Ų041.1 Ų41.10%019%0.186CC..Hα-helixtrans-64.8-41.8174.300000113T99 N122 R123 L128 A129 R130 L187 G190T99-A126 HydrophobicContact CG2-CB 4.04Å; N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.3Å; N122-A126 PolarHBondContact O-N 2.86Å; R123-A126 PolarHBondContact O-N 2.95Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 2.83Å; A126-A129 PolarHBondContact O-N 3.35Å; A126-R130 WeakPolarHBondContact O-CB 3.44Å; A126-R130 PolarHBondContact O-N 3.08Å; A126-L187 HydrophobicContact CB-CD2 4.35Å; A126-G190 CarbonylContact C-O 2.99Å
127E98.6Very high98Very high88 Ų8834.5 Ų34.541%0.41116%0.158SC..Hα-helixtrans-62.3-38.1175.4-74.2173.4-179.600111.7R123 A124 K131R123-E127 HydrophobicContact CG-CG 4.47Å; R123-E127 IonicContact CZ-OE1 3.56Å; R123-E127 IonicContact NE-OE1 2.84Å; R123-E127 PolarHBondContact NE-OE1 3.4Å; R123-E127 IonicContact NH2-OE1 3.36Å; R123-E127 PolarHBondContact NH2-OE1 3.09Å; R123-E127 WeakPolarHBondContact O-CB 3.36Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.49Å; A124-E127 PolarHBondContact O-N 3.06Å; E127-K131 WeakPolarHBondContact O-CB 3.44Å; E127-K131 PolarHBondContact O-N 3.29Å
128L98Very high97.9Very high27 Ų2741 Ų4114%0.14119%0.185CC..Hα-helixtrans-67.6-48.6176.3-77.3170.5000112.6S75 P79 A124 S125 A126 R130 K131 A132S75-L128 VanDerWaalsContact O-CD1 3.24Å; S75-L128 WeakPolarHBondContact O-CD1 3.5Å; P79-L128 HydrophobicContact CB-CD1 3.83Å; P79-L128 HydrophobicContact CB-CD2 4.05Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 WeakPolarHBondContact O-CG 3.18Å; A124-L128 PolarHBondContact O-N 3Å; S125-L128 PolarHBondContact O-N 3.34Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 2.83Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.27Å; L128-K131 WeakPolarHBondContact O-CB 3.37Å; L128-K131 PolarHBondContact O-N 2.92Å; L128-A132 PolarHBondContact O-N 3.26Å
129A98.4Very high97.7Very high0 Ų046.6 Ų46.60%021%0.211CC..Hα-helixtrans-61-42.4175.700000110.9I97 T99 S125 A126 K131 A132 A133 V146I97-A129 HydrophobicContact CD1-CB 4Å; T99-A129 HydrophobicContact CG2-CB 4.03Å; S125-A129 PolarHBondContact O-N 2.8Å; A126-A129 PolarHBondContact O-N 3.35Å; A129-K131 PolarHBondContact O-N 3.25Å; A129-A132 PolarHBondContact O-N 2.82Å; A129-A133 WeakPolarHBondContact O-CB 3.36Å; A129-A133 PolarHBondContact O-N 2.63Å; A129-V146 HydrophobicContact CB-CG1 3.67Å; A129-V146 HydrophobicContact CB-CG2 4.15Å
130R98.3Very high97.4Very high38 Ų3846.4 Ų46.414%0.14322%0.218CC..Hα-helixtrans-58.1-47.1174.8179.853.753-161.3-1.5111.8A126 L128 A132 A133 D134 V146 G191 D193A126-R130 WeakPolarHBondContact O-CB 3.44Å; A126-R130 PolarHBondContact O-N 3.08Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.27Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.43Å; R130-A133 PolarHBondContact O-N 2.91Å; R130-D134 WeakPolarHBondContact CD-OD1 3.36Å; R130-D134 WeakPolarHBondContact O-CB 3.38Å; R130-D134 VanDerWaalsContact O-CG 3.27Å; R130-D134 PolarHBondContact O-N 2.71Å; R130-V146 VanDerWaalsContact CZ-CG2 3.46Å; R130-V146 VanDerWaalsContact NH2-CB 3.29Å; R130-G191 VanDerWaalsContact CZ-O 3.32Å; R130-G191 PolarHBondContact NE-O 3.4Å; R130-G191 VanDerWaalsContact NE-O 3.08Å; R130-G191 PolarHBondContact NH2-O 3.04Å; R130-D193 IonicContact CZ-OD1 3.56Å; R130-D193 IonicContact CZ-OD2 3.57Å; R130-D193 IonicContact NH1-OD1 2.79Å; R130-D193 IonicContact NH1-OD2 3.5Å; R130-D193 PolarHBondContact NH1-OD2 2.83Å; R130-D193 IonicContact NH2-OD1 3.45Å; R130-D193 PolarHBondContact NH2-OD1 2.84Å; R130-D193 IonicContact NH2-OD2 2.77Å; R130-D193 PolarHBondContact NH2-OD2 3.12Å
131K98.2Very high96.9Very high114 Ų11444.7 Ų44.750%0.49623%0.233SC..Hα-helixtrans-57.9-45.8177.3-175.3-173.5174.5-173.70111.5Y83 E127 L128 A129 D134 D135Y83-K131 HydrophobicContact CD2-CD 4.29Å; Y83-K131 HydrophobicContact CD2-CG 4.49Å; Y83-K131 HydrophobicContact CE2-CB 4.38Å; Y83-K131 HydrophobicContact CE2-CD 4.06Å; Y83-K131 HydrophobicContact CE2-CG 3.96Å; E127-K131 WeakPolarHBondContact O-CB 3.44Å; E127-K131 PolarHBondContact O-N 3.29Å; L128-K131 WeakPolarHBondContact O-CB 3.37Å; L128-K131 PolarHBondContact O-N 2.92Å; A129-K131 PolarHBondContact O-N 3.25Å; K131-D134 PolarHBondContact O-N 3.12Å; K131-D135 WeakPolarHBondContact O-CB 3.31Å; K131-D135 PolarHBondContact O-N 3.02Å
132A98.1Very high96.5Very high0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-63.4-45.3177.700000111.9Y83 H86 L90 L128 A129 R130 D134 D135 V136Y83-A132 HydrophobicContact CD2-CB 3.88Å; Y83-A132 HydrophobicContact CE2-CB 3.77Å; H86-A132 HydrophobicContact CB-CB 3.74Å; L90-A132 HydrophobicContact CD1-CB 4.17Å; L128-A132 PolarHBondContact O-N 3.26Å; A129-A132 PolarHBondContact O-N 2.82Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.43Å; A132-D134 PolarHBondContact O-N 3.39Å; A132-D135 PolarHBondContact O-N 2.88Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 3.16Å
133A98Very high96.3Very high0 Ų056.8 Ų56.80%028%0.281CS..Hα-helixtrans-59.3-45.6176.600000112.1L90 I97 A129 R130 T137 R144 V146L90-A133 HydrophobicContact CD1-CB 4.47Å; I97-A133 HydrophobicContact CD1-CB 4.41Å; A129-A133 WeakPolarHBondContact O-CB 3.36Å; A129-A133 PolarHBondContact O-N 2.63Å; R130-A133 PolarHBondContact O-N 2.91Å; A133-T137 VanDerWaalsContact O-CB 3.24Å; A133-T137 WeakPolarHBondContact O-CB 3.48Å; A133-T137 PolarHBondContact O-N 3.07Å; A133-T137 PolarHBondContact O-OG1 2.96Å; A133-R144 HydrophobicContact CB-CB 3.95Å; A133-V146 HydrophobicContact CB-CG2 3.87Å
134D97.7Very high96.2Very high67 Ų6753 Ų5336%0.35827%0.267SS..Hα-helixtrans-67.6-41.3179.8-72-11.1000111.9R130 K131 A132 T137 K138R130-D134 WeakPolarHBondContact CD-OD1 3.36Å; R130-D134 WeakPolarHBondContact O-CB 3.38Å; R130-D134 VanDerWaalsContact O-CG 3.27Å; R130-D134 PolarHBondContact O-N 2.71Å; K131-D134 PolarHBondContact O-N 3.12Å; A132-D134 PolarHBondContact O-N 3.39Å; D134-T137 PolarHBondContact O-N 2.63Å; D134-K138 VanDerWaalsContact O-CG 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.18Å
135D97.6Very high96.2Very high43 Ų4352.2 Ų52.223%0.2326%0.26CS..Hα-helixtrans-67.5-40.4179.5-77.9-9.2000111.9Y83 K131 A132 K138 Q139Y83-D135 PolarHBondContact OH-OD2 3.07Å; K131-D135 WeakPolarHBondContact O-CB 3.31Å; K131-D135 PolarHBondContact O-N 3.02Å; A132-D135 PolarHBondContact O-N 2.88Å; D135-K138 PolarHBondContact O-N 3.27Å; D135-K138 IonicContact OD1-NZ 3.65Å; D135-Q139 VanDerWaalsContact O-CG 3.26Å; D135-Q139 WeakPolarHBondContact O-CG 3.47Å; D135-Q139 PolarHBondContact O-N 3.31Å; D135-Q139 VanDerWaalsContact O-N 3.13Å; D135-Q139 PolarHBondContact O-NE2 3.37Å
136V96.6Very high96.2Very high6 Ų652.2 Ų52.24%0.03626%0.26CS..Hα-helixtrans-72.2-33.8173.8178.30000111.4K87 L90 A132 K138 Q139 S140 R144K87-V136 HydrophobicContact CG-CG2 3.97Å; L90-V136 HydrophobicContact CB-CB 4.17Å; L90-V136 HydrophobicContact CB-CG1 4.01Å; L90-V136 HydrophobicContact CB-CG2 3.91Å; L90-V136 HydrophobicContact CD1-CB 4.13Å; L90-V136 HydrophobicContact CD1-CG2 3.93Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 3.16Å; V136-K138 VanDerWaalsContact C-N 3.35Å; V136-K138 PolarHBondContact O-N 3.17Å; V136-Q139 PolarHBondContact O-N 3.38Å; V136-S140 WeakPolarHBondContact O-CB 3.43Å; V136-S140 PolarHBondContact O-N 3.18Å; V136-S140 PolarHBondContact O-OG 2.89Å; V136-R144 HydrophobicContact CG1-CG 4.5Å
137T96.2Very high96.2Very high33 Ų3352.2 Ų52.220%0.20226%0.26CS..Hα-helixtrans-60-46172.8-640000110.7A133 D134 Q139 G141 W142 R144A133-T137 VanDerWaalsContact O-CB 3.24Å; A133-T137 WeakPolarHBondContact O-CB 3.48Å; A133-T137 PolarHBondContact O-N 3.07Å; A133-T137 PolarHBondContact O-OG1 2.96Å; D134-T137 PolarHBondContact O-N 2.63Å; T137-Q139 VanDerWaalsContact C-N 3.31Å; T137-Q139 PolarHBondContact O-N 3.24Å; T137-G141 WeakPolarHBondContact O-CA 3.05Å; T137-G141 PolarHBondContact O-N 2.85Å; T137-W142 WeakPolarHBondContact CA-O 3.44Å; T137-W142 PolarHBondContact OG1-O 3.37Å; T137-R144 PolarHBondContact OG1-N 2.84Å; T137-R144 VanDerWaalsContact OG1-N 3.1Å
138K95.5Very high96.2Very high161 Ų16148 Ų4870%0.724%0.24SC*.Hα-helixtrans-62.7-35.4176-71.1166.7-166.5158.80112.8D134 D135 V136D134-K138 VanDerWaalsContact O-CG 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.18Å; D135-K138 PolarHBondContact O-N 3.27Å; D135-K138 IonicContact OD1-NZ 3.65Å; V136-K138 VanDerWaalsContact C-N 3.35Å; V136-K138 PolarHBondContact O-N 3.17Å
139Q93.3Very high96.2Very high118 Ų11846.8 Ų46.855%0.55123%0.233SC*.Hα-helixtrans-77.4-41.7-179.7-72.7164.835.900113.1D135 V136 T137D135-Q139 VanDerWaalsContact O-CG 3.26Å; D135-Q139 WeakPolarHBondContact O-CG 3.47Å; D135-Q139 PolarHBondContact O-N 3.31Å; D135-Q139 VanDerWaalsContact O-N 3.13Å; D135-Q139 PolarHBondContact O-NE2 3.37Å; V136-Q139 PolarHBondContact O-N 3.38Å; T137-Q139 VanDerWaalsContact C-N 3.31Å; T137-Q139 PolarHBondContact O-N 3.24Å
140S90.8Very high96.2Very high49 Ų4946.8 Ų46.834%0.34323%0.233SC..Hα-helixtrans-93.1-21.9-173.365.90000113.7V136 W142V136-S140 WeakPolarHBondContact O-CB 3.43Å; V136-S140 PolarHBondContact O-N 3.18Å; V136-S140 PolarHBondContact O-OG 2.89Å; S140-W142 VanDerWaalsContact O-CD1 3.25Å; S140-W142 PolarHBondContact O-N 2.73Å; S140-W142 PolarHBondContact OG-N 2.81Å; S140-W142 PolarHBondContact OG-O 3.04Å
141G89.8Confident96Very high70 Ų7045 Ų4572%0.72223%0.227SC*.SBendtrans77.9-3.6-171.600000114.3T137T137-G141 WeakPolarHBondContact O-CA 3.05Å; T137-G141 PolarHBondContact O-N 2.85Å
142W88.8Confident95.7Very high170 Ų17040 Ų4064%0.64421%0.206SC*.SBendtrans-103.3129.1178.6-63.589.9000110.3T137 S140T137-W142 WeakPolarHBondContact CA-O 3.44Å; T137-W142 PolarHBondContact OG1-O 3.37Å; S140-W142 VanDerWaalsContact O-CD1 3.25Å; S140-W142 PolarHBondContact O-N 2.73Å; S140-W142 PolarHBondContact OG-N 2.81Å; S140-W142 PolarHBondContact OG-O 3.04Å
143K94.1Very high95.4Very high84 Ų8440.8 Ų40.837%0.36521%0.211SC..  trans-65.1134.4178.3-170.9177.3177.9-178.20111E25 Y145E25-K143 WeakPolarHBondContact OE1-CD 3.46Å; E25-K143 IonicContact OE1-NZ 3.9Å; E25-K143 IonicContact OE2-NZ 3.47Å; E25-K143 PolarHBondContact OE2-NZ 3.41Å; K143-Y145 HydrophobicContact CD-CE1 4.2Å
144R96.6Very high94.7Very high27 Ų2744.1 Ų44.110%0.10223%0.229CC..  trans-112.4148.4175.1-55.2-57.8-174.9-17311.5110.3L90 A94 D95 A133 V136 T137L90-R144 HydrophobicContact CD2-CB 3.85Å; L90-R144 HydrophobicContact CD2-CG 3.81Å; A94-R144 WeakPolarHBondContact O-CD 3.27Å; A94-R144 PolarHBondContact O-NE 3.43Å; A94-R144 PolarHBondContact O-NH1 3.38Å; D95-R144 WeakPolarHBondContact O-CA 3.43Å; D95-R144 IonicContact OD1-NH1 3.91Å; D95-R144 PolarHBondContact OD1-NH1 3.14Å; A133-R144 HydrophobicContact CB-CB 3.95Å; V136-R144 HydrophobicContact CG1-CG 4.5Å; T137-R144 PolarHBondContact OG1-N 2.84Å; T137-R144 VanDerWaalsContact OG1-N 3.1Å
145Y98.1Very high94.3Very high2 Ų244 Ų441%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-115.8149.3-175.6-59.9-89.5000111.3V22 E25 L26 L29 M35 D95 I96 I97 K143 D193V22-Y145 HydrophobicContact CG1-CD1 4.38Å; V22-Y145 HydrophobicContact CG1-CE1 4.29Å; E25-Y145 WeakPolarHBondContact CG-OH 3.4Å; E25-Y145 PolarHBondContact OE1-OH 2.94Å; L26-Y145 HydrophobicContact CD2-CD1 4.01Å; L26-Y145 HydrophobicContact CD2-CD2 3.96Å; L26-Y145 HydrophobicContact CD2-CE1 3.83Å; L26-Y145 HydrophobicContact CD2-CE2 3.79Å; L26-Y145 HydrophobicContact CD2-CG 4.06Å; L26-Y145 HydrophobicContact CG-CD1 4.41Å; L26-Y145 HydrophobicContact CG-CE1 4.08Å; L29-Y145 HydrophobicContact CD1-CE2 4.03Å; L29-Y145 VanDerWaalsContact CD1-OH 3.27Å; L29-Y145 WeakPolarHBondContact CD1-OH 3.33Å; M35-Y145 HydrophobicContact CE-CD2 3.77Å; M35-Y145 HydrophobicContact CE-CE2 3.8Å; D95-Y145 PolarHBondContact O-N 3.17Å; I96-Y145 WeakPolarHBondContact CA-O 3.28Å; I97-Y145 PolarHBondContact N-O 3.47Å; K143-Y145 HydrophobicContact CD-CE1 4.2Å; Y145-D193 WeakPolarHBondContact CA-OD2 3.25Å; Y145-D193 HydrophobicContact CD1-CB 4.18Å
146V98.6Very high93.9Very high0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-111.2122.1174.6-179.20000109.7I97 T99 A129 R130 A133 D193 I194I97-V146 HydrophobicContact CD1-CG2 4.44Å; I97-V146 HydrophobicContact CG1-CG2 4.31Å; I97-V146 WeakPolarHBondContact O-CA 3.1Å; T99-V146 HydrophobicContact CG2-CG1 3.43Å; T99-V146 VanDerWaalsContact CG2-CG1 3.43Å; A129-V146 HydrophobicContact CB-CG1 3.67Å; A129-V146 HydrophobicContact CB-CG2 4.15Å; R130-V146 VanDerWaalsContact CZ-CG2 3.46Å; R130-V146 VanDerWaalsContact NH2-CB 3.29Å; A133-V146 HydrophobicContact CB-CG2 3.87Å; V146-D193 PolarHBondContact N-OD2 3.35Å; V146-D193 VanDerWaalsContact N-OD2 3.1Å; V146-D193 PolarHBondContact O-N 3.32Å; V146-I194 PolarHBondContact O-N 3.36Å; V146-I194 VanDerWaalsContact O-N 3.13Å
147A98.6Very high93.6Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-93.1113170.500000109.6I96 I97 E98 T99 A149 I194 L196I96-A147 HydrophobicContact CG2-CB 3.86Å; I97-A147 PolarHBondContact O-N 2.94Å; E98-A147 CarbonylContact C-O 3.5Å; E98-A147 WeakPolarHBondContact CA-O 3.17Å; T99-A147 PolarHBondContact N-O 2.88Å; T99-A147 PolarHBondContact OG1-O 2.99Å; A147-A149 PolarHBondContact O-N 3.13Å; A147-A149 VanDerWaalsContact O-N 3.13Å; A147-I194 HydrophobicContact CB-CB 4.3Å; A147-I194 HydrophobicContact CB-CG2 4.49Å; A147-L196 HydrophobicContact CB-CB 4.13Å; A147-L196 HydrophobicContact CB-CD2 4.31Å
148G98.5Very high93.2Very high0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-68.6104169.500000109.5T99 L150 I194 L196T99-G148 WeakPolarHBondContact OG1-CA 3.41Å; G148-L150 VanDerWaalsContact O-CD1 3.28Å; G148-L150 WeakPolarHBondContact O-CD1 3.44Å; G148-I194 PolarHBondContact N-O 3.29Å; G148-L196 PolarHBondContact O-N 2.7Å
149A98.3Very high92.7Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-77.7125.9-177.200000111.5E98 T99 T101 A147 Q183 E198E98-A149 HydrophobicContact CB-CB 4.42Å; T99-A149 PolarHBondContact OG1-N 2.95Å; T101-A149 PolarHBondContact OG1-O 2.62Å; A147-A149 PolarHBondContact O-N 3.13Å; A147-A149 VanDerWaalsContact O-N 3.13Å; A149-Q183 PolarHBondContact O-NE2 3.18Å; A149-E198 WeakPolarHBondContact CB-OE1 3.41Å
150L98.5Very high92.2Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-116.1101.9172-58.696.4000108.2G148 Y180 Q183 A184 L187 L195 L196 V197 E198G148-L150 VanDerWaalsContact O-CD1 3.28Å; G148-L150 WeakPolarHBondContact O-CD1 3.44Å; L150-Y180 HydrophobicContact CB-CD1 4.48Å; L150-Y180 HydrophobicContact CB-CE1 4.34Å; L150-Y180 HydrophobicContact CD2-CD1 4.01Å; L150-Q183 HydrophobicContact CD2-CG 3.96Å; L150-Q183 HydrophobicContact CG-CG 4.13Å; L150-A184 HydrophobicContact CD2-CB 4.23Å; L150-L187 HydrophobicContact CD1-CD1 3.9Å; L150-L187 HydrophobicContact CD2-CD1 4.47Å; L150-L187 HydrophobicContact CG-CD1 3.87Å; L150-L195 HydrophobicContact CD1-CB 4.18Å; L150-L195 HydrophobicContact CD1-CD2 4.28Å; L150-L196 PolarHBondContact N-O 2.91Å; L150-V197 HydrophobicContact CD1-CG2 4.43Å; L150-E198 PolarHBondContact O-N 3.5Å; L150-E198 VanDerWaalsContact O-N 3.1Å
151G95.4Very high91.3Very high1 Ų133.6 Ų33.61%0.0119%0.185CC..  trans-76.7173.1176.800000113.3F102 T153 Y180F102-G151 VanDerWaalsContact O-CA 3.3Å; F102-G151 WeakPolarHBondContact O-CA 3.46Å; F102-G151 PolarHBondContact O-N 3.08Å; G151-T153 VanDerWaalsContact C-N 3.33Å; G151-T153 PolarHBondContact O-N 3.37Å; G151-Y180 VanDerWaalsContact O-CE1 3.32Å; G151-Y180 WeakPolarHBondContact O-CE1 3.15Å; G151-Y180 PolarHBondContact O-OH 2.8Å
152P91.3Very high90.1Very high9 Ų932.2 Ų32.26%0.05816%0.164CC..  trans-82.6-1.8-168.235.5-40.7000115.1F102 Y180 T199 F201 N205F102-P152 VanDerWaalsContact CZ-CD 3.48Å; F102-P152 HydrophobicContact CZ-CG 4.24Å; P152-Y180 WeakPolarHBondContact CA-OH 3.21Å; P152-T199 WeakPolarHBondContact CG-O 3.3Å; P152-F201 HydrophobicContact CB-CD1 3.6Å; P152-F201 HydrophobicContact CB-CE1 3.37Å; P152-F201 HydrophobicContact CB-CZ 4.08Å; P152-F201 HydrophobicContact CG-CD1 3.58Å; P152-F201 HydrophobicContact CG-CE1 3.43Å; P152-F201 VanDerWaalsContact CG-CE1 3.43Å; P152-N205 PolarHBondContact O-ND2 3.09Å
153T91.9Very high89Confident17 Ų1731 Ų3110%0.10418%0.175CC..  trans63.2179.8-166.581.70000113.6T105 V107 G151 K155 L176 F201T105-T153 HydrophobicContact CG2-CG2 4.19Å; V107-T153 HydrophobicContact CB-CG2 4.29Å; V107-T153 HydrophobicContact CG1-CG2 4.48Å; G151-T153 VanDerWaalsContact C-N 3.33Å; G151-T153 PolarHBondContact O-N 3.37Å; T153-K155 PolarHBondContact OG1-N 3.07Å; T153-L176 HydrophobicContact CG2-CD2 3.84Å; T153-F201 WeakPolarHBondContact O-CE1 3.38Å
154N83.2Confident87.7Confident70 Ų7035.2 Ų35.237%0.37420%0.196SC..SBendtrans-94.17.9175.767.4-15.7000113.5D111D111-N154 PolarHBondContact OD1-ND2 3.46Å; D111-N154 PolarHBondContact OD2-ND2 3.01Å
155K88.2Confident86.7Confident64 Ų6440 Ų4028%0.27822%0.218SC..  trans-117.3151.4-177.6-56.1-58.7-174.2-178.40111.7V107 T153 N170 I171 N205V107-K155 HydrophobicContact CG1-CB 4.46Å; V107-K155 HydrophobicContact CG1-CG 3.65Å; T153-K155 PolarHBondContact OG1-N 3.07Å; K155-N170 HydrophobicContact CD-CB 3.92Å; K155-I171 HydrophobicContact CB-CB 4Å; K155-I171 HydrophobicContact CB-CD1 4.36Å; K155-I171 HydrophobicContact CB-CG2 3.56Å; K155-I171 HydrophobicContact CG-CB 4.29Å; K155-I171 HydrophobicContact CG-CD1 4.3Å; K155-I171 HydrophobicContact CG-CG2 4.38Å; K155-N205 PolarHBondContact O-ND2 2.6Å
156T88.9Confident85.6Confident25 Ų2541 Ų4115%0.15322%0.224CC..  trans-113.9139.6178.949.20000111V159 F201T156-V159 HydrophobicContact CG2-CB 4.37Å; T156-V159 PolarHBondContact OG1-O 3.32Å; T156-F201 HydrophobicContact CG2-CD2 4.25Å; T156-F201 HydrophobicContact CG2-CE2 3.47Å; T156-F201 VanDerWaalsContact CG2-CE2 3.47Å; T156-F201 HydrophobicContact CG2-CZ 4.26Å
157L91.6Very high84.8Confident10 Ų1042.6 Ų42.65%0.05223%0.233CC..SBendtrans-96.3-33.7172.1-78.2177000112.8R169 I171 T172 F173 L176 D202 A204 N205 A208L157-R169 WeakPolarHBondContact O-CD 3.47Å; L157-R169 PolarHBondContact O-NE 3.32Å; L157-I171 HydrophobicContact CD2-CG2 3.92Å; L157-I171 WeakPolarHBondContact CD2-O 3.49Å; L157-I171 HydrophobicContact CG-CG2 4.33Å; L157-T172 VanDerWaalsContact CD2-C 3.46Å; L157-F173 HydrophobicContact CD1-CB 4.43Å; L157-F173 HydrophobicContact CD1-CD2 3.98Å; L157-L176 HydrophobicContact CD1-CD1 3.47Å; L157-L176 VanDerWaalsContact CD1-CD1 3.47Å; L157-L176 HydrophobicContact CD2-CD1 4.01Å; L157-L176 HydrophobicContact CG-CD1 3.47Å; L157-L176 VanDerWaalsContact CG-CD1 3.47Å; L157-D202 PolarHBondContact N-OD2 3.02Å; L157-A204 HydrophobicContact CB-CB 3.61Å; L157-A204 HydrophobicContact CD1-CB 4.04Å; L157-N205 WeakPolarHBondContact CB-OD1 3.47Å; L157-N205 WeakPolarHBondContact CG-OD1 3.29Å; L157-N205 PolarHBondContact N-OD1 2.77Å; L157-A208 HydrophobicContact CD1-CB 4.37Å
158S87Confident84.3Confident5 Ų547.2 Ų47.24%0.03525%0.253CS..SBendtrans-88.4-27.6-177.160.40000112.8R169 D202 S241S158-R169 PolarHBondContact O-NE 2.89Å; S158-R169 PolarHBondContact O-NH2 3.05Å; S158-D202 VanDerWaalsContact CB-OD1 3.29Å; S158-D202 WeakPolarHBondContact CB-OD1 3.46Å; S158-D202 PolarHBondContact N-OD2 2.85Å; S158-D202 PolarHBondContact OG-OD1 2.9Å; S158-D202 PolarHBondContact OG-OD2 3.45Å; S158-S241 WeakPolarHBondContact OG-CB 3.38Å
159V85.3Confident83.8Confident61 Ų6148.6 Ų48.637%0.3726%0.258SS..SBendtrans-110.1135.5-175.6-174.70000111.3T156T156-V159 HydrophobicContact CG2-CB 4.37Å; T156-V159 PolarHBondContact OG1-O 3.32Å
160S83.3Confident83.2Confident22 Ų2252 Ų5215%0.15428%0.276CS..  trans-76139171.6178.50000111S162 K165 F168S160-S162 PolarHBondContact O-N 3.46Å; S160-S162 PolarHBondContact OG-N 2.82Å; S160-S162 VanDerWaalsContact OG-N 3.14Å; S160-S162 PolarHBondContact OG-O 3.28Å; S160-K165 WeakPolarHBondContact CB-O 3.24Å; S160-K165 PolarHBondContact OG-O 3.06Å; S160-F168 WeakPolarHBondContact CA-O 3.49Å; S160-F168 VanDerWaalsContact CB-O 3.27Å; S160-F168 WeakPolarHBondContact CB-O 3.48Å; S160-F168 PolarHBondContact OG-O 2.87Å
161P70.6Confident83Confident69 Ų6952.5 Ų52.545%0.44828%0.279SS..SBendtrans-69.7-10.1171.335.5-43.4000113.5F168 N170P161-F168 HydrophobicContact CG-CD1 3.69Å; P161-F168 HydrophobicContact CG-CE1 3.75Å; P161-N170 VanDerWaalsContact CB-ND2 3.32Å; P161-N170 WeakPolarHBondContact CB-ND2 3.34Å; P161-N170 WeakPolarHBondContact CG-ND2 3.42Å; P161-N170 WeakPolarHBondContact CG-OD1 3.39Å
162S64.7Low83Confident41 Ų4155.8 Ų55.829%0.28730%0.299SS..  trans-130.8123.3-177179.30000110.8S160 E164 K165S160-S162 PolarHBondContact O-N 3.46Å; S160-S162 PolarHBondContact OG-N 2.82Å; S160-S162 VanDerWaalsContact OG-N 3.14Å; S160-S162 PolarHBondContact OG-O 3.28Å; S162-E164 PolarHBondContact O-N 3.13Å; S162-E164 PolarHBondContact OG-N 3.09Å; S162-K165 CarbonylContact O-C 3.54Å; S162-K165 PolarHBondContact O-N 3.18Å
163V66.7Low83.3Confident143 Ų14355.9 Ų55.987%0.86730%0.298SS*.THydrogen-bonded Turntrans-65.2-27.8176.8-176.40000111.7K165V163-K165 VanDerWaalsContact C-N 3.34Å
164E67.1Low83.6Confident174 Ų17458.9 Ų58.981%0.81331%0.314SS*.THydrogen-bonded Turntrans-78.8-17.6179.2-61.4-177.2171.700113.2S162S162-E164 PolarHBondContact O-N 3.13Å; S162-E164 PolarHBondContact OG-N 3.09Å
165K74.3Confident84.2Confident128 Ų12860.6 Ų60.656%0.55732%0.32SS*.  trans-127.872.9178.4-66.5-174.8179.91790110.1S160 S162 V163 D167 F168S160-K165 WeakPolarHBondContact CB-O 3.24Å; S160-K165 PolarHBondContact OG-O 3.06Å; S162-K165 CarbonylContact O-C 3.54Å; S162-K165 PolarHBondContact O-N 3.18Å; V163-K165 VanDerWaalsContact C-N 3.34Å; K165-D167 PolarHBondContact O-N 3.41Å; K165-F168 HydrophobicContact CB-CB 3.92Å; K165-F168 PolarHBondContact O-N 3.14Å; K165-F168 VanDerWaalsContact O-N 3.16Å
166P76Confident84.7Confident22 Ų2257.6 Ų57.614%0.14331%0.306CS..THydrogen-bonded Turntrans-64.5-19.1-174.726.3-36.1000114R169 F438P166-R169 PolarHBondContact O-NH1 3.45Å; P166-F438 HydrophobicContact CB-CD1 4.37Å; P166-F438 HydrophobicContact CB-CE1 4.43Å; P166-F438 HydrophobicContact CG-CD1 3.82Å; P166-F438 HydrophobicContact CG-CE1 3.46Å; P166-F438 VanDerWaalsContact CG-CE1 3.46Å; P166-F438 HydrophobicContact CG-CZ 4.36Å
167D82.1Confident85.1Confident34 Ų3457.1 Ų57.118%0.18230%0.303CS..THydrogen-bonded Turntrans-82.6-21.5176.258.7-32.9000114.7K165 R434 N437 F438K165-D167 PolarHBondContact O-N 3.41Å; D167-R434 HydrophobicContact CB-CG 3.98Å; D167-R434 IonicContact OD2-CZ 3.55Å; D167-R434 VanDerWaalsContact OD2-CZ 3.27Å; D167-R434 IonicContact OD2-NE 3.51Å; D167-R434 PolarHBondContact OD2-NE 2.9Å; D167-R434 IonicContact OD2-NH2 2.78Å; D167-R434 PolarHBondContact OD2-NH2 3.33Å; D167-N437 PolarHBondContact O-ND2 2.85Å; D167-N437 VanDerWaalsContact O-ND2 3.12Å; D167-F438 HydrophobicContact CB-CD2 3.78Å; D167-F438 HydrophobicContact CB-CE2 3.45Å; D167-F438 VanDerWaalsContact CB-CE2 3.45Å; D167-F438 HydrophobicContact CB-CG 4.42Å; D167-F438 HydrophobicContact CB-CZ 3.85Å
168F87.3Confident85.4Confident97 Ų9759.6 Ų59.643%0.42533%0.326SS..  trans-73.7143.5-175.7177.7-111.8000112.1S160 P161 K165 N170S160-F168 WeakPolarHBondContact CA-O 3.49Å; S160-F168 VanDerWaalsContact CB-O 3.27Å; S160-F168 WeakPolarHBondContact CB-O 3.48Å; S160-F168 PolarHBondContact OG-O 2.87Å; P161-F168 HydrophobicContact CG-CD1 3.69Å; P161-F168 HydrophobicContact CG-CE1 3.75Å; K165-F168 HydrophobicContact CB-CB 3.92Å; K165-F168 PolarHBondContact O-N 3.14Å; K165-F168 VanDerWaalsContact O-N 3.16Å; F168-N170 WeakPolarHBondContact CE1-OD1 3.31Å
169R87.9Confident86Confident29 Ų2959.4 Ų59.411%0.10932%0.324CS..  trans-132.5141.3172.7-62-62.3-179.3-85.42.8109.3L157 S158 P166 I171 N437L157-R169 WeakPolarHBondContact O-CD 3.47Å; L157-R169 PolarHBondContact O-NE 3.32Å; S158-R169 PolarHBondContact O-NE 2.89Å; S158-R169 PolarHBondContact O-NH2 3.05Å; P166-R169 PolarHBondContact O-NH1 3.45Å; R169-I171 VanDerWaalsContact C-N 3.28Å; R169-N437 PolarHBondContact NH2-O 2.76Å
170N86.6Confident86.6Confident70 Ų7056.6 Ų56.637%0.37431%0.307SS..SBendtrans-77.6-15.3-179.1-81-21.6000113.9K155 P161 F168K155-N170 HydrophobicContact CD-CB 3.92Å; P161-N170 VanDerWaalsContact CB-ND2 3.32Å; P161-N170 WeakPolarHBondContact CB-ND2 3.34Å; P161-N170 WeakPolarHBondContact CG-ND2 3.42Å; P161-N170 WeakPolarHBondContact CG-OD1 3.39Å; F168-N170 WeakPolarHBondContact CE1-OD1 3.31Å
171I94.3Very high87.3Confident11 Ų1157 Ų576%0.05631%0.309CS..SBendtrans-148.8155.4-178.1-164158.4000108.5V107 K155 L157 R169 E175 L176V107-I171 HydrophobicContact CB-CD1 4.34Å; V107-I171 HydrophobicContact CG1-CD1 3.82Å; V107-I171 HydrophobicContact CG2-CD1 3.5Å; V107-I171 VanDerWaalsContact CG2-CD1 3.5Å; K155-I171 HydrophobicContact CB-CB 4Å; K155-I171 HydrophobicContact CB-CD1 4.36Å; K155-I171 HydrophobicContact CB-CG2 3.56Å; K155-I171 HydrophobicContact CG-CB 4.29Å; K155-I171 HydrophobicContact CG-CD1 4.3Å; K155-I171 HydrophobicContact CG-CG2 4.38Å; L157-I171 HydrophobicContact CD2-CG2 3.92Å; L157-I171 WeakPolarHBondContact CD2-O 3.49Å; L157-I171 HydrophobicContact CG-CG2 4.33Å; R169-I171 VanDerWaalsContact C-N 3.28Å; I171-E175 HydrophobicContact CD1-CB 4.27Å; I171-E175 HydrophobicContact CG1-CB 3.79Å; I171-L176 HydrophobicContact CD1-CD1 4.45Å; I171-L176 HydrophobicContact CD1-CD2 3.69Å; I171-L176 HydrophobicContact CD1-CG 3.62Å; I171-L176 HydrophobicContact CG1-CG 4.01Å; I171-L176 HydrophobicContact CG2-CD1 3.86Å; I171-L176 HydrophobicContact CG2-CG 4.2Å
172T95.4Very high88.6Confident71 Ų7156.1 Ų56.144%0.43630%0.298SS..  trans-105160.2175.864.20000111.5L157 D174 E175 L176L157-T172 VanDerWaalsContact CD2-C 3.46Å; T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 3.35Å; T172-E175 WeakPolarHBondContact CB-OE2 3.28Å; T172-E175 PolarHBondContact N-OE2 2.78Å; T172-E175 PolarHBondContact O-N 2.9Å; T172-E175 VanDerWaalsContact OG1-CG 3.24Å; T172-E175 WeakPolarHBondContact OG1-CG 3.41Å; T172-E175 PolarHBondContact OG1-N 3.27Å; T172-E175 PolarHBondContact OG1-OE2 3.43Å; T172-L176 PolarHBondContact O-N 2.75Å
173F97Very high90.2Very high10 Ų1054.1 Ų54.14%0.04429%0.285CS..Hα-helixtrans-57.4-42.7178.3-172.9-86.6000111.5L157 E175 L176 V177 K207 A208 F211 K465 Y495L157-F173 HydrophobicContact CD1-CB 4.43Å; L157-F173 HydrophobicContact CD1-CD2 3.98Å; F173-E175 PolarHBondContact O-N 2.93Å; F173-L176 PolarHBondContact O-N 3.24Å; F173-V177 HydrophobicContact CD1-CG2 3.62Å; F173-V177 HydrophobicContact CE1-CG2 3.36Å; F173-V177 HydrophobicContact CZ-CG2 4.11Å; F173-V177 WeakPolarHBondContact O-CG2 3.19Å; F173-V177 PolarHBondContact O-N 3.42Å; F173-K207 HydrophobicContact CE2-CB 4.31Å; F173-A208 HydrophobicContact CD2-CB 3.92Å; F173-A208 HydrophobicContact CE1-CB 4.47Å; F173-A208 HydrophobicContact CE2-CB 3.7Å; F173-A208 HydrophobicContact CG-CB 4.39Å; F173-A208 HydrophobicContact CZ-CB 4Å; F173-F211 HydrophobicContact CE1-CB 4.26Å; F173-F211 HydrophobicContact CE1-CD1 4.43Å; F173-F211 HydrophobicContact CE1-CD2 4.27Å; F173-F211 HydrophobicContact CE1-CG 4.09Å; F173-F211 HydrophobicContact CZ-CB 4.02Å; F173-F211 HydrophobicContact CZ-CD2 4.34Å; F173-F211 HydrophobicContact CZ-CG 4.24Å; F173-K465 HydrophobicContact CB-CB 3.75Å; F173-K465 HydrophobicContact CB-CD 4.34Å; F173-K465 HydrophobicContact CB-CG 3.86Å; F173-K465 HydrophobicContact CD1-CD 4.44Å; F173-K465 HydrophobicContact CD1-CG 3.8Å; F173-K465 HydrophobicContact CG-CB 4.04Å; F173-K465 HydrophobicContact CG-CG 3.85Å; F173-Y495 HydrophobicContact CD1-CE1 4.24Å; F173-Y495 HydrophobicContact CE1-CD1 4.45Å; F173-Y495 AromaticContact CE1-CE1 3.57Å; F173-Y495 HydrophobicContact CE1-CE1 3.57Å; F173-Y495 HydrophobicContact CE2-CE1 4.47Å; F173-Y495 HydrophobicContact CZ-CD1 4.17Å; F173-Y495 AromaticContact CZ-CE1 3.72Å; F173-Y495 HydrophobicContact CZ-CE1 3.72Å
174D97.4Very high91.7Very high81 Ų8147.3 Ų47.343%0.43324%0.243SC..Hα-helixtrans-67.5-36.2-177.9-63.3-50.3000112.6T172 V177 A178 K465T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 3.35Å; D174-V177 PolarHBondContact O-N 2.83Å; D174-A178 WeakPolarHBondContact O-CB 3.36Å; D174-A178 PolarHBondContact O-N 3.49Å; D174-K465 WeakPolarHBondContact OD1-CE 3.24Å; D174-K465 IonicContact OD1-NZ 3.84Å; D174-K465 PolarHBondContact OD1-NZ 3.1Å; D174-K465 WeakPolarHBondContact OD2-CE 3.24Å; D174-K465 IonicContact OD2-NZ 3.46Å; D174-K465 PolarHBondContact OD2-NZ 3.24Å
175E97.4Very high93.2Very high106 Ų10643.8 Ų43.850%0.49522%0.223SC..Hα-helixtrans-64.4-42.3174-73.8165.1145.300111.5I171 T172 F173 A178 A179I171-E175 HydrophobicContact CD1-CB 4.27Å; I171-E175 HydrophobicContact CG1-CB 3.79Å; T172-E175 WeakPolarHBondContact CB-OE2 3.28Å; T172-E175 PolarHBondContact N-OE2 2.78Å; T172-E175 PolarHBondContact O-N 2.9Å; T172-E175 VanDerWaalsContact OG1-CG 3.24Å; T172-E175 WeakPolarHBondContact OG1-CG 3.41Å; T172-E175 PolarHBondContact OG1-N 3.27Å; T172-E175 PolarHBondContact OG1-OE2 3.43Å; F173-E175 PolarHBondContact O-N 2.93Å; E175-A178 PolarHBondContact O-N 3.32Å; E175-A179 PolarHBondContact O-N 3.37Å
176L97.8Very high94.3Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-67.5-40.5174.3-80.7171.8000112.3V107 T153 L157 I171 T172 F173 A178 A179 Y180 N205 A208V107-L176 HydrophobicContact CG2-CD2 4.31Å; T153-L176 HydrophobicContact CG2-CD2 3.84Å; L157-L176 HydrophobicContact CD1-CD1 3.47Å; L157-L176 VanDerWaalsContact CD1-CD1 3.47Å; L157-L176 HydrophobicContact CD2-CD1 4.01Å; L157-L176 HydrophobicContact CG-CD1 3.47Å; L157-L176 VanDerWaalsContact CG-CD1 3.47Å; I171-L176 HydrophobicContact CD1-CD1 4.45Å; I171-L176 HydrophobicContact CD1-CD2 3.69Å; I171-L176 HydrophobicContact CD1-CG 3.62Å; I171-L176 HydrophobicContact CG1-CG 4.01Å; I171-L176 HydrophobicContact CG2-CD1 3.86Å; I171-L176 HydrophobicContact CG2-CG 4.2Å; T172-L176 PolarHBondContact O-N 2.75Å; F173-L176 PolarHBondContact O-N 3.24Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.17Å; L176-A179 PolarHBondContact O-N 3.3Å; L176-Y180 HydrophobicContact CB-CD2 4.28Å; L176-Y180 HydrophobicContact CB-CE2 4.35Å; L176-Y180 HydrophobicContact CD2-CE2 4.01Å; L176-Y180 WeakPolarHBondContact O-CB 3.39Å; L176-Y180 WeakPolarHBondContact O-CD2 3.33Å; L176-Y180 PolarHBondContact O-N 2.91Å; L176-N205 HydrophobicContact CD1-CB 4.4Å; L176-A208 HydrophobicContact CB-CB 3.86Å
177V98.1Very high95.4Very high15 Ų1536.7 Ų36.79%0.09119%0.189CC..Hα-helixtrans-57.8-44.2173.5168.60000110.2F173 D174 T181 A208 F211 A212F173-V177 HydrophobicContact CD1-CG2 3.62Å; F173-V177 HydrophobicContact CE1-CG2 3.36Å; F173-V177 HydrophobicContact CZ-CG2 4.11Å; F173-V177 WeakPolarHBondContact O-CG2 3.19Å; F173-V177 PolarHBondContact O-N 3.42Å; D174-V177 PolarHBondContact O-N 2.83Å; V177-T181 VanDerWaalsContact O-CB 3.22Å; V177-T181 WeakPolarHBondContact O-CB 3.24Å; V177-T181 PolarHBondContact O-N 3.15Å; V177-T181 PolarHBondContact O-OG1 3.42Å; V177-A208 HydrophobicContact CG2-CB 4.05Å; V177-F211 HydrophobicContact CG1-CD1 4.03Å; V177-F211 HydrophobicContact CG2-CB 4.34Å; V177-F211 HydrophobicContact CG2-CD1 3.98Å; V177-F211 HydrophobicContact CG2-CG 4.42Å; V177-A212 HydrophobicContact CG1-CB 4.2Å
178A97.9Very high96.1Very high63 Ų6336 Ų3652%0.52119%0.186SC..Hα-helixtrans-62.5-47.2177.800000112D174 E175 L176 T181 E182D174-A178 WeakPolarHBondContact O-CB 3.36Å; D174-A178 PolarHBondContact O-N 3.49Å; E175-A178 PolarHBondContact O-N 3.32Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 3.17Å; A178-T181 PolarHBondContact O-N 3.23Å; A178-E182 PolarHBondContact O-N 2.92Å; A178-E182 VanDerWaalsContact O-N 3.08Å
179A98Very high96.6Very high1 Ų134.4 Ų34.41%0.00818%0.182CC..Hα-helixtrans-62-46.5178.600000112.4S106 V107 E175 L176 E182 Q183S106-A179 WeakPolarHBondContact OG-CB 3.44Å; V107-A179 HydrophobicContact CG2-CB 3.83Å; E175-A179 PolarHBondContact O-N 3.37Å; L176-A179 PolarHBondContact O-N 3.3Å; A179-E182 PolarHBondContact O-N 3.4Å; A179-Q183 PolarHBondContact O-N 3.45Å
180Y98.4Very high97Very high2 Ų233.2 Ų33.21%0.00818%0.179CC..Hα-helixtrans-69.5-32.4177.2-75.5-55000112.8T105 L150 G151 P152 L176 E182 Q183 A184 A209T105-Y180 HydrophobicContact CG2-CD1 4.18Å; T105-Y180 HydrophobicContact CG2-CE1 4.09Å; L150-Y180 HydrophobicContact CB-CD1 4.48Å; L150-Y180 HydrophobicContact CB-CE1 4.34Å; L150-Y180 HydrophobicContact CD2-CD1 4.01Å; G151-Y180 VanDerWaalsContact O-CE1 3.32Å; G151-Y180 WeakPolarHBondContact O-CE1 3.15Å; G151-Y180 PolarHBondContact O-OH 2.8Å; P152-Y180 WeakPolarHBondContact CA-OH 3.21Å; L176-Y180 HydrophobicContact CB-CD2 4.28Å; L176-Y180 HydrophobicContact CB-CE2 4.35Å; L176-Y180 HydrophobicContact CD2-CE2 4.01Å; L176-Y180 WeakPolarHBondContact O-CB 3.39Å; L176-Y180 WeakPolarHBondContact O-CD2 3.33Å; L176-Y180 PolarHBondContact O-N 2.91Å; Y180-E182 VanDerWaalsContact C-N 3.32Å; Y180-E182 PolarHBondContact O-N 3.36Å; Y180-Q183 PolarHBondContact O-N 3.48Å; Y180-A184 WeakPolarHBondContact O-CB 3.47Å; Y180-A184 PolarHBondContact O-N 2.87Å; Y180-A209 HydrophobicContact CD1-CB 4.02Å; Y180-A209 HydrophobicContact CD2-CB 3.62Å; Y180-A209 HydrophobicContact CE1-CB 4.19Å; Y180-A209 HydrophobicContact CE2-CB 3.8Å; Y180-A209 HydrophobicContact CG-CB 3.73Å
181T98.2Very high97.5Very high30 Ų3031.4 Ų31.418%0.18418%0.177CC..Hα-helixtrans-62-43.6173.7-61.20000110.3V177 A178 R185 A212 L216V177-T181 VanDerWaalsContact O-CB 3.22Å; V177-T181 WeakPolarHBondContact O-CB 3.24Å; V177-T181 PolarHBondContact O-N 3.15Å; V177-T181 PolarHBondContact O-OG1 3.42Å; A178-T181 PolarHBondContact O-N 3.23Å; T181-R185 VanDerWaalsContact O-CB 3.24Å; T181-R185 WeakPolarHBondContact O-CB 3.43Å; T181-R185 PolarHBondContact O-N 2.91Å; T181-A212 WeakPolarHBondContact OG1-CB 3.4Å; T181-L216 HydrophobicContact CG2-CD1 4.37Å; T181-L216 HydrophobicContact CG2-CD2 3.91Å; T181-L216 HydrophobicContact CG2-CG 4.15Å
182E98Very high97.6Very high50 Ų5031.1 Ų31.123%0.23418%0.176CC..Hα-helixtrans-65-45.3177.6-177.5170.1-142.100112.3A118 A178 A179 Y180 G186A118-E182 HydrophobicContact CB-CG 4.47Å; A178-E182 PolarHBondContact O-N 2.92Å; A178-E182 VanDerWaalsContact O-N 3.08Å; A179-E182 PolarHBondContact O-N 3.4Å; Y180-E182 VanDerWaalsContact C-N 3.32Å; Y180-E182 PolarHBondContact O-N 3.36Å; E182-G186 PolarHBondContact O-N 2.92Å; E182-G186 VanDerWaalsContact O-N 3.12Å
183Q98.4Very high97.7Very high0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-61-54.2176.3162.2162.858.800111.8T101 T105 N122 A149 L150 A179 Y180 R185 G186 L187T101-Q183 PolarHBondContact O-NE2 2.85Å; T105-Q183 HydrophobicContact CG2-CB 4.35Å; N122-Q183 WeakPolarHBondContact ND2-CA 3.47Å; N122-Q183 WeakPolarHBondContact OD1-CG 3.37Å; N122-Q183 PolarHBondContact OD1-NE2 2.87Å; N122-Q183 VanDerWaalsContact OD1-NE2 3.07Å; A149-Q183 PolarHBondContact O-NE2 3.18Å; L150-Q183 HydrophobicContact CD2-CG 3.96Å; L150-Q183 HydrophobicContact CG-CG 4.13Å; A179-Q183 PolarHBondContact O-N 3.45Å; Y180-Q183 PolarHBondContact O-N 3.48Å; Q183-R185 VanDerWaalsContact C-N 3.26Å; Q183-R185 PolarHBondContact O-N 3Å; Q183-G186 PolarHBondContact O-N 3.49Å; Q183-L187 HydrophobicContact CG-CD1 3.9Å; Q183-L187 HydrophobicContact CG-CG 4.44Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 3.39Å
184A98.1Very high97.8Very high0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-59.7-38.3-178.800000111.6L150 Y180 L187 L188 I213 L216L150-A184 HydrophobicContact CD2-CB 4.23Å; Y180-A184 WeakPolarHBondContact O-CB 3.47Å; Y180-A184 PolarHBondContact O-N 2.87Å; A184-L187 PolarHBondContact O-N 3.3Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.43Å; A184-L188 PolarHBondContact O-N 3.23Å; A184-I213 HydrophobicContact CB-CG1 4.26Å; A184-L216 HydrophobicContact CB-CD1 3.61Å
185R98Very high97.8Very high100 Ų10024.3 Ų24.338%0.37714%0.137SC..Hα-helixtrans-59.5-46.4173.1-169.1-174.564.7-169.7-5.6111.7Y119 T181 Q183 L188 D189 L216 Y221Y119-R185 HydrophobicContact CD2-CB 4.46Å; Y119-R185 HydrophobicContact CD2-CG 4.47Å; Y119-R185 HydrophobicContact CE2-CB 4.41Å; Y119-R185 HydrophobicContact CE2-CG 4.02Å; T181-R185 VanDerWaalsContact O-CB 3.24Å; T181-R185 WeakPolarHBondContact O-CB 3.43Å; T181-R185 PolarHBondContact O-N 2.91Å; Q183-R185 VanDerWaalsContact C-N 3.26Å; Q183-R185 PolarHBondContact O-N 3Å; R185-L188 PolarHBondContact O-N 3.4Å; R185-D189 WeakPolarHBondContact O-CB 3.38Å; R185-D189 PolarHBondContact O-N 3.21Å; R185-L216 HydrophobicContact CB-CD1 4.46Å; R185-Y221 HydrophobicContact CG-CE2 4.24Å; R185-Y221 VanDerWaalsContact CG-OH 3.26Å; R185-Y221 WeakPolarHBondContact CG-OH 3.36Å
186G98.1Very high97.9Very high0 Ų019.2 Ų19.20%011%0.113CC..Hα-helixtrans-61-43.7177.200000112.7R123 E182 Q183 G190R123-G186 VanDerWaalsContact CA-O 3.31Å; R123-G186 WeakPolarHBondContact CA-O 3.05Å; E182-G186 PolarHBondContact O-N 2.92Å; E182-G186 VanDerWaalsContact O-N 3.12Å; Q183-G186 PolarHBondContact O-N 3.49Å; G186-G190 PolarHBondContact O-N 3.23Å
187L98.5Very high97.9Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-63.6-44.2177.6-68.1171.4000112.4T99 T101 N122 A126 L150 Q183 A184 G190 G191 A192 L195T99-L187 HydrophobicContact CG2-CD2 4.34Å; T101-L187 HydrophobicContact CG2-CD2 3.89Å; N122-L187 HydrophobicContact CB-CD2 4.08Å; N122-L187 HydrophobicContact CB-CG 4.05Å; A126-L187 HydrophobicContact CB-CD2 4.35Å; L150-L187 HydrophobicContact CD1-CD1 3.9Å; L150-L187 HydrophobicContact CD2-CD1 4.47Å; L150-L187 HydrophobicContact CG-CD1 3.87Å; Q183-L187 HydrophobicContact CG-CD1 3.9Å; Q183-L187 HydrophobicContact CG-CG 4.44Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 3.39Å; A184-L187 PolarHBondContact O-N 3.3Å; L187-G190 PolarHBondContact O-N 3.42Å; L187-G191 PolarHBondContact O-N 3.14Å; L187-A192 HydrophobicContact CB-CB 4.34Å; L187-A192 WeakPolarHBondContact O-CB 3.49Å; L187-A192 PolarHBondContact O-N 3.16Å; L187-L195 HydrophobicContact CB-CD2 4.13Å; L187-L195 HydrophobicContact CD1-CD2 4.25Å
188L97.3Very high97.9Very high21 Ų2118.9 Ų18.911%0.1111%0.111CC..Hα-helixtrans-65.8-44.9178-71.3169.2000111.5A184 R185 G190 G191 L195 L216 F217 Y221 K224A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.43Å; A184-L188 PolarHBondContact O-N 3.23Å; R185-L188 PolarHBondContact O-N 3.4Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.96Å; L188-G191 PolarHBondContact O-N 2.71Å; L188-G191 VanDerWaalsContact O-N 3.11Å; L188-L195 HydrophobicContact CD2-CD1 4.24Å; L188-L195 HydrophobicContact CD2-CD2 4.38Å; L188-L195 HydrophobicContact CD2-CG 4.45Å; L188-L195 HydrophobicContact CG-CD1 4.45Å; L188-L195 HydrophobicContact CG-CD2 4.44Å; L188-L216 HydrophobicContact CD1-CD1 4.3Å; L188-F217 HydrophobicContact CD1-CE1 4.38Å; L188-Y221 HydrophobicContact CB-CD1 3.85Å; L188-Y221 HydrophobicContact CB-CE1 3.81Å; L188-Y221 HydrophobicContact CD1-CD1 3.88Å; L188-Y221 HydrophobicContact CD1-CD2 4.17Å; L188-Y221 HydrophobicContact CD1-CE1 4.38Å; L188-Y221 HydrophobicContact CD1-CG 3.77Å; L188-Y221 HydrophobicContact CG-CD1 4.4Å; L188-K224 HydrophobicContact CD2-CB 4.44Å; L188-K224 HydrophobicContact CD2-CG 3.68Å
189D97.7Very high97.8Very high62 Ų6217 Ų1733%0.3329%0.093SC..Hα-helixtrans-65.4-34177.2-70.9-14.1000112.3Y119 R185 G191 Y221Y119-D189 WeakPolarHBondContact CE2-OD2 3.25Å; Y119-D189 PolarHBondContact OH-OD2 3Å; R185-D189 WeakPolarHBondContact O-CB 3.38Å; R185-D189 PolarHBondContact O-N 3.21Å; D189-G191 PolarHBondContact O-N 3.33Å; D189-Y221 VanDerWaalsContact OD1-CE1 3.27Å; D189-Y221 WeakPolarHBondContact OD1-CE1 3.48Å; D189-Y221 PolarHBondContact OD1-OH 2.87Å; D189-Y221 PolarHBondContact OD2-OH 3.01Å
190G96.9Very high97.8Very high5 Ų517.1 Ų17.15%0.0529%0.093CC..THydrogen-bonded Turntrans-76.8-2.5174.700000114.2A126 G186 L187 L188A126-G190 CarbonylContact C-O 2.99Å; G186-G190 PolarHBondContact O-N 3.23Å; L187-G190 PolarHBondContact O-N 3.42Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.96Å
191G96Very high97.5Very high32 Ų3218.8 Ų18.833%0.3310%0.1SC..THydrogen-bonded Turntrans86.433.9171.600000114.9R130 L187 L188 D189R130-G191 VanDerWaalsContact CZ-O 3.32Å; R130-G191 PolarHBondContact NE-O 3.4Å; R130-G191 VanDerWaalsContact NE-O 3.08Å; R130-G191 PolarHBondContact NH2-O 3.04Å; L187-G191 PolarHBondContact O-N 3.14Å; L188-G191 PolarHBondContact O-N 2.71Å; L188-G191 VanDerWaalsContact O-N 3.11Å; D189-G191 PolarHBondContact O-N 3.33Å
192A97.4Very high97.3Very high4 Ų417.4 Ų17.43%0.0339%0.092CC..  trans-62.4140.1168.500000111.8L187L187-A192 HydrophobicContact CB-CB 4.34Å; L187-A192 WeakPolarHBondContact O-CB 3.49Å; L187-A192 PolarHBondContact O-N 3.16Å
193D97.6Very high97.2Very high18 Ų1815 Ų1510%0.0968%0.081CC..SBendtrans-84.9-36.5176.7-70.4-48.4000112V22 R130 Y145 V146 P225V22-D193 HydrophobicContact CG1-CB 4.07Å; R130-D193 IonicContact CZ-OD1 3.56Å; R130-D193 IonicContact CZ-OD2 3.57Å; R130-D193 IonicContact NH1-OD1 2.79Å; R130-D193 IonicContact NH1-OD2 3.5Å; R130-D193 PolarHBondContact NH1-OD2 2.83Å; R130-D193 IonicContact NH2-OD1 3.45Å; R130-D193 PolarHBondContact NH2-OD1 2.84Å; R130-D193 IonicContact NH2-OD2 2.77Å; R130-D193 PolarHBondContact NH2-OD2 3.12Å; Y145-D193 WeakPolarHBondContact CA-OD2 3.25Å; Y145-D193 HydrophobicContact CD1-CB 4.18Å; V146-D193 PolarHBondContact N-OD2 3.35Å; V146-D193 VanDerWaalsContact N-OD2 3.1Å; V146-D193 PolarHBondContact O-N 3.32Å; D193-P225 VanDerWaalsContact O-CD 3.31Å; D193-P225 WeakPolarHBondContact O-CD 3.3Å; D193-P225 WeakPolarHBondContact O-CG 3.32Å
194I98.3Very high97.1Very high0 Ų015.1 Ų15.10%08%0.082CC..EExtended strand (participates in β ladder)trans-126.6143.7-174.2-59.9155.8000107.6L26 I96 V146 A147 G148 P225 F227L26-I194 HydrophobicContact CD1-CD1 3.79Å; L26-I194 HydrophobicContact CD1-CG1 3.77Å; I96-I194 HydrophobicContact CD1-CD1 4.18Å; I96-I194 HydrophobicContact CG2-CD1 4.07Å; V146-I194 PolarHBondContact O-N 3.36Å; V146-I194 VanDerWaalsContact O-N 3.13Å; A147-I194 HydrophobicContact CB-CB 4.3Å; A147-I194 HydrophobicContact CB-CG2 4.49Å; G148-I194 PolarHBondContact N-O 3.29Å; I194-P225 WeakPolarHBondContact CA-O 3.28Å; I194-P225 HydrophobicContact CB-CG 4.43Å; I194-P225 HydrophobicContact CG1-CG 3.84Å; I194-F227 HydrophobicContact CD1-CE1 4.49Å; I194-F227 HydrophobicContact CD1-CE2 4.07Å; I194-F227 HydrophobicContact CD1-CZ 3.91Å; I194-F227 HydrophobicContact CG1-CZ 4.48Å; I194-F227 HydrophobicContact CG2-CB 4.13Å; I194-F227 HydrophobicContact CG2-CD1 3.68Å; I194-F227 HydrophobicContact CG2-CD2 3.89Å; I194-F227 HydrophobicContact CG2-CE1 3.99Å; I194-F227 HydrophobicContact CG2-CE2 4.2Å; I194-F227 HydrophobicContact CG2-CG 3.62Å; I194-F227 HydrophobicContact CG2-CZ 4.24Å
195L98.5Very high97Very high1 Ų115.2 Ų15.21%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-102.5118165.6-65.1175.8000108.4L150 L187 L188 I213 F217 P225 I226 F227L150-L195 HydrophobicContact CD1-CB 4.18Å; L150-L195 HydrophobicContact CD1-CD2 4.28Å; L187-L195 HydrophobicContact CB-CD2 4.13Å; L187-L195 HydrophobicContact CD1-CD2 4.25Å; L188-L195 HydrophobicContact CD2-CD1 4.24Å; L188-L195 HydrophobicContact CD2-CD2 4.38Å; L188-L195 HydrophobicContact CD2-CG 4.45Å; L188-L195 HydrophobicContact CG-CD1 4.45Å; L188-L195 HydrophobicContact CG-CD2 4.44Å; L195-I213 HydrophobicContact CB-CD1 4.28Å; L195-I213 HydrophobicContact CD1-CD1 4.06Å; L195-I213 HydrophobicContact CD1-CG1 3.97Å; L195-I213 HydrophobicContact CD1-CG2 3.81Å; L195-F217 HydrophobicContact CD1-CE1 4.38Å; L195-F217 HydrophobicContact CD1-CZ 3.93Å; L195-P225 PolarHBondContact N-O 3.47Å; L195-I226 CarbonylContact O-C 3.49Å; L195-I226 WeakPolarHBondContact O-CA 3.28Å; L195-F227 PolarHBondContact O-N 2.97Å
196L98.5Very high97Very high0 Ų010.6 Ų10.60%07%0.065CC..EExtended strand (participates in β ladder)trans-109.1107-177.1170.761.7000109.2E98 A147 G148 L150 E198 F227E98-L196 HydrophobicContact CG-CD2 3.92Å; A147-L196 HydrophobicContact CB-CB 4.13Å; A147-L196 HydrophobicContact CB-CD2 4.31Å; G148-L196 PolarHBondContact O-N 2.7Å; L150-L196 PolarHBondContact N-O 2.91Å; L196-E198 HydrophobicContact CD1-CB 4.13Å; L196-E198 HydrophobicContact CD2-CB 4.36Å; L196-E198 HydrophobicContact CG-CB 3.92Å; L196-E198 HydrophobicContact CG-CG 4.26Å; L196-F227 WeakPolarHBondContact CA-O 3.26Å; L196-F227 HydrophobicContact CB-CB 4.28Å; L196-F227 HydrophobicContact CD1-CB 3.47Å; L196-F227 VanDerWaalsContact CD1-CB 3.47Å; L196-F227 HydrophobicContact CG-CB 4.47Å
197V98.6Very high97Very high2 Ų210.9 Ų10.91%0.0127%0.067CC..EExtended strand (participates in β ladder)trans-89110.8170.2-170.90000107.4L150 I200 A206 A209 L210 I213 F227 I228 S229L150-V197 HydrophobicContact CD1-CG2 4.43Å; V197-I200 HydrophobicContact CB-CD1 4.37Å; V197-I200 HydrophobicContact CG1-CD1 3.88Å; V197-I200 HydrophobicContact CG1-CG1 4.05Å; V197-A206 HydrophobicContact CG1-CB 4.32Å; V197-A209 HydrophobicContact CG1-CB 4.07Å; V197-A209 HydrophobicContact CG2-CB 4.23Å; V197-L210 HydrophobicContact CG2-CD2 4.19Å; V197-I213 HydrophobicContact CG2-CD1 3.97Å; V197-F227 PolarHBondContact N-O 2.87Å; V197-I228 CarbonylContact O-C 3.52Å; V197-I228 WeakPolarHBondContact O-CA 3.39Å; V197-S229 PolarHBondContact O-N 2.87Å
198E97.8Very high97Very high6 Ų610.9 Ų10.93%0.0287%0.067CC..EExtended strand (participates in β ladder)trans-130.5168.9-166.460.7159.7167.500114.6F102 A149 L150 L196 I200 S229 Y289F102-E198 HydrophobicContact CD2-CG 4.49Å; F102-E198 WeakPolarHBondContact CD2-OE1 3.49Å; F102-E198 HydrophobicContact CE2-CG 4.4Å; A149-E198 WeakPolarHBondContact CB-OE1 3.41Å; L150-E198 PolarHBondContact O-N 3.5Å; L150-E198 VanDerWaalsContact O-N 3.1Å; L196-E198 HydrophobicContact CD1-CB 4.13Å; L196-E198 HydrophobicContact CD2-CB 4.36Å; L196-E198 HydrophobicContact CG-CB 3.92Å; L196-E198 HydrophobicContact CG-CG 4.26Å; E198-I200 PolarHBondContact O-N 3.44Å; E198-S229 CarbonylContact C-O 3.4Å; E198-Y289 VanDerWaalsContact CB-OH 3.22Å; E198-Y289 WeakPolarHBondContact CB-OH 3.45Å; E198-Y289 PolarHBondContact OE2-OH 3.05Å
199T96.2Very high97Very high22 Ų229.9 Ų9.914%0.1356%0.062CC..EExtended strand (participates in β ladder)trans51.641.2-178.4-47.40000111.6F102 P152 F201 S229 T231 N263F102-T199 HydrophobicContact CE2-CG2 4.36Å; F102-T199 WeakPolarHBondContact CE2-OG1 3.35Å; F102-T199 HydrophobicContact CZ-CG2 4.05Å; P152-T199 WeakPolarHBondContact CG-O 3.3Å; T199-F201 PolarHBondContact O-N 3.21Å; T199-S229 PolarHBondContact N-O 3.36Å; T199-T231 VanDerWaalsContact CA-OG1 3.28Å; T199-T231 WeakPolarHBondContact CA-OG1 3.23Å; T199-N263 PolarHBondContact N-OD1 2.92Å; T199-N263 VanDerWaalsContact N-OD1 3.15Å; T199-N263 PolarHBondContact OG1-ND2 3.45Å
200I96.9Very high97Very high4 Ų47.1 Ų7.12%0.0215%0.047CC..EExtended strand (participates in β ladder)trans-72.6101.5-174.1-59.7160.3000108.6V197 E198 D202 A206 I228 S229 T231 F248V197-I200 HydrophobicContact CB-CD1 4.37Å; V197-I200 HydrophobicContact CG1-CD1 3.88Å; V197-I200 HydrophobicContact CG1-CG1 4.05Å; E198-I200 PolarHBondContact O-N 3.44Å; I200-D202 WeakPolarHBondContact CG2-O 3.47Å; I200-A206 HydrophobicContact CB-CB 4.42Å; I200-A206 HydrophobicContact CD1-CB 3.57Å; I200-A206 HydrophobicContact CG1-CB 3.89Å; I200-A206 HydrophobicContact CG2-CB 3.65Å; I200-I228 HydrophobicContact CD1-CG2 3.51Å; I200-S229 WeakPolarHBondContact CD1-O 3.47Å; I200-S229 WeakPolarHBondContact CG1-O 3.48Å; I200-S229 PolarHBondContact N-O 3.06Å; I200-S229 VanDerWaalsContact N-O 3.12Å; I200-T231 PolarHBondContact O-N 3.48Å; I200-T231 VanDerWaalsContact O-N 3.07Å; I200-F248 HydrophobicContact CB-CE2 4.31Å; I200-F248 HydrophobicContact CD1-CE2 4.01Å; I200-F248 HydrophobicContact CD1-CZ 3.84Å; I200-F248 HydrophobicContact CG2-CE2 4Å
201F91.6Very high97Very high37 Ų377.8 Ų7.816%0.1625%0.048CC..SBendtrans-86.8-24.2170.867.8-111.1000112.5P152 T153 T156 T199 L240 S241P152-F201 HydrophobicContact CB-CD1 3.6Å; P152-F201 HydrophobicContact CB-CE1 3.37Å; P152-F201 HydrophobicContact CB-CZ 4.08Å; P152-F201 HydrophobicContact CG-CD1 3.58Å; P152-F201 HydrophobicContact CG-CE1 3.43Å; P152-F201 VanDerWaalsContact CG-CE1 3.43Å; T153-F201 WeakPolarHBondContact O-CE1 3.38Å; T156-F201 HydrophobicContact CG2-CD2 4.25Å; T156-F201 HydrophobicContact CG2-CE2 3.47Å; T156-F201 VanDerWaalsContact CG2-CE2 3.47Å; T156-F201 HydrophobicContact CG2-CZ 4.26Å; T199-F201 PolarHBondContact O-N 3.21Å; F201-L240 HydrophobicContact CB-CB 3.84Å; F201-L240 HydrophobicContact CB-CD2 4.25Å; F201-L240 HydrophobicContact CD2-CB 4.49Å; F201-L240 HydrophobicContact CD2-CD2 3.98Å; F201-L240 HydrophobicContact CG-CD2 4.22Å; F201-L240 PolarHBondContact O-N 3.03Å; F201-S241 PolarHBondContact O-N 3Å; F201-S241 VanDerWaalsContact O-N 3.13Å
202D94.4Very high97.1Very high1 Ų16.3 Ų6.31%0.0053%0.033CC..  trans-130.3112.3179.7-176-6.9000110.3L157 S158 I200 A204 N205 A206L157-D202 PolarHBondContact N-OD2 3.02Å; S158-D202 VanDerWaalsContact CB-OD1 3.29Å; S158-D202 WeakPolarHBondContact CB-OD1 3.46Å; S158-D202 PolarHBondContact N-OD2 2.85Å; S158-D202 PolarHBondContact OG-OD1 2.9Å; S158-D202 PolarHBondContact OG-OD2 3.45Å; I200-D202 WeakPolarHBondContact CG2-O 3.47Å; D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 WeakPolarHBondContact OD1-CB 3.36Å; D202-A204 PolarHBondContact OD1-N 2.79Å; D202-N205 HydrophobicContact CB-CB 4.46Å; D202-N205 WeakPolarHBondContact O-CB 3.34Å; D202-N205 PolarHBondContact O-N 3.27Å; D202-N205 VanDerWaalsContact O-N 3.12Å; D202-N205 PolarHBondContact OD2-OD1 3.35Å; D202-A206 PolarHBondContact O-N 3.41Å
203T96.5Very high97.1Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-63.6-27.7-177.3-51.60000112.9N205 A206 K207 Q243 F248 V252T203-N205 VanDerWaalsContact C-N 3.31Å; T203-N205 PolarHBondContact O-N 3.18Å; T203-A206 PolarHBondContact O-N 3.01Å; T203-K207 WeakPolarHBondContact O-CG 3.41Å; T203-K207 PolarHBondContact O-N 3.31Å; T203-Q243 VanDerWaalsContact CB-OE1 3.26Å; T203-Q243 PolarHBondContact OG1-OE1 2.85Å; T203-F248 HydrophobicContact CG2-CD2 4.01Å; T203-F248 HydrophobicContact CG2-CE2 4.46Å; T203-V252 HydrophobicContact CG2-CG1 3.94Å
204A96Very high96.9Very high3 Ų37.1 Ų7.13%0.0254%0.037CC..Hα-helixtrans-65.9-35.8176.600000111.7L157 D202 K207 A208 Q468L157-A204 HydrophobicContact CB-CB 3.61Å; L157-A204 HydrophobicContact CD1-CB 4.04Å; D202-A204 PolarHBondContact O-N 3.47Å; D202-A204 WeakPolarHBondContact OD1-CB 3.36Å; D202-A204 PolarHBondContact OD1-N 2.79Å; A204-K207 PolarHBondContact O-N 3.1Å; A204-A208 PolarHBondContact O-N 2.72Å; A204-Q468 HydrophobicContact CB-CB 4.1Å
205N96.7Very high96.6Very high2 Ų28.9 Ų8.91%0.0115%0.046CC..Hα-helixtrans-64.5-43.9173.7-67.222.6000110.9P152 K155 L157 L176 D202 T203 K207 A208 A209P152-N205 PolarHBondContact O-ND2 3.09Å; K155-N205 PolarHBondContact O-ND2 2.6Å; L157-N205 WeakPolarHBondContact CB-OD1 3.47Å; L157-N205 WeakPolarHBondContact CG-OD1 3.29Å; L157-N205 PolarHBondContact N-OD1 2.77Å; L176-N205 HydrophobicContact CD1-CB 4.4Å; D202-N205 HydrophobicContact CB-CB 4.46Å; D202-N205 WeakPolarHBondContact O-CB 3.34Å; D202-N205 PolarHBondContact O-N 3.27Å; D202-N205 VanDerWaalsContact O-N 3.12Å; D202-N205 PolarHBondContact OD2-OD1 3.35Å; T203-N205 VanDerWaalsContact C-N 3.31Å; T203-N205 PolarHBondContact O-N 3.18Å; N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.33Å; N205-A208 WeakPolarHBondContact O-CB 3.3Å; N205-A208 PolarHBondContact O-N 3.37Å; N205-A208 VanDerWaalsContact O-N 3.12Å; N205-A209 PolarHBondContact O-N 2.91Å
206A97.3Very high96.4Very high2 Ų29.5 Ų9.52%0.0175%0.049CC..Hα-helixtrans-60.5-43.3175.600000111.5V197 I200 D202 T203 A208 A209 L210V197-A206 HydrophobicContact CG1-CB 4.32Å; I200-A206 HydrophobicContact CB-CB 4.42Å; I200-A206 HydrophobicContact CD1-CB 3.57Å; I200-A206 HydrophobicContact CG1-CB 3.89Å; I200-A206 HydrophobicContact CG2-CB 3.65Å; D202-A206 PolarHBondContact O-N 3.41Å; T203-A206 PolarHBondContact O-N 3.01Å; A206-A208 VanDerWaalsContact C-N 3.29Å; A206-A208 PolarHBondContact O-N 2.86Å; A206-A209 WeakPolarHBondContact O-CB 3.48Å; A206-A209 PolarHBondContact O-N 2.84Å; A206-A209 VanDerWaalsContact O-N 3.14Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.21Å
207K98.1Very high96.2Very high7 Ų710.6 Ų10.63%0.035%0.054CC..Hα-helixtrans-59.7-38.1174.2-72.3176.967.2-173.50112.2F173 T203 A204 N205 L210 F211 C467 Q468 G469 Y495F173-K207 HydrophobicContact CE2-CB 4.31Å; T203-K207 WeakPolarHBondContact O-CG 3.41Å; T203-K207 PolarHBondContact O-N 3.31Å; A204-K207 PolarHBondContact O-N 3.1Å; N205-K207 VanDerWaalsContact C-N 3.33Å; N205-K207 PolarHBondContact O-N 3.33Å; K207-L210 PolarHBondContact O-N 3.31Å; K207-F211 VanDerWaalsContact O-CB 3.25Å; K207-F211 WeakPolarHBondContact O-CB 3.32Å; K207-F211 PolarHBondContact O-N 3.28Å; K207-C467 PolarHBondContact NZ-O 2.89Å; K207-Q468 WeakPolarHBondContact CD-O 3.41Å; K207-G469 PolarHBondContact NZ-O 3.37Å; K207-Y495 VanDerWaalsContact CE-O 3.31Å; K207-Y495 WeakPolarHBondContact CE-O 3.17Å
208A98.1Very high95.6Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-64.1-42.8173.700000112.2L157 F173 L176 V177 A204 N205 A206 F211 A212L157-A208 HydrophobicContact CD1-CB 4.37Å; F173-A208 HydrophobicContact CD2-CB 3.92Å; F173-A208 HydrophobicContact CE1-CB 4.47Å; F173-A208 HydrophobicContact CE2-CB 3.7Å; F173-A208 HydrophobicContact CG-CB 4.39Å; F173-A208 HydrophobicContact CZ-CB 4Å; L176-A208 HydrophobicContact CB-CB 3.86Å; V177-A208 HydrophobicContact CG2-CB 4.05Å; A204-A208 PolarHBondContact O-N 2.72Å; N205-A208 WeakPolarHBondContact O-CB 3.3Å; N205-A208 PolarHBondContact O-N 3.37Å; N205-A208 VanDerWaalsContact O-N 3.12Å; A206-A208 VanDerWaalsContact C-N 3.29Å; A206-A208 PolarHBondContact O-N 2.86Å; A208-F211 PolarHBondContact O-N 2.81Å; A208-A212 WeakPolarHBondContact O-CB 3.44Å; A208-A212 PolarHBondContact O-N 3.38Å
209A98Very high94.8Very high0 Ų022.3 Ų22.30%011%0.106CC..Hα-helixtrans-62.5-46.217500000111.9Y180 V197 N205 A206 F211 A212 I213Y180-A209 HydrophobicContact CD1-CB 4.02Å; Y180-A209 HydrophobicContact CD2-CB 3.62Å; Y180-A209 HydrophobicContact CE1-CB 4.19Å; Y180-A209 HydrophobicContact CE2-CB 3.8Å; Y180-A209 HydrophobicContact CG-CB 3.73Å; V197-A209 HydrophobicContact CG1-CB 4.07Å; V197-A209 HydrophobicContact CG2-CB 4.23Å; N205-A209 PolarHBondContact O-N 2.91Å; A206-A209 WeakPolarHBondContact O-CB 3.48Å; A206-A209 PolarHBondContact O-N 2.84Å; A206-A209 VanDerWaalsContact O-N 3.14Å; A209-F211 VanDerWaalsContact C-N 3.33Å; A209-F211 PolarHBondContact O-N 3.19Å; A209-A212 WeakPolarHBondContact O-CB 3.27Å; A209-A212 PolarHBondContact O-N 3.42Å; A209-I213 VanDerWaalsContact O-CG1 3.27Å; A209-I213 WeakPolarHBondContact O-CG1 3.06Å; A209-I213 PolarHBondContact O-N 2.88Å
210L97.8Very high94.2Very high4 Ų425.4 Ų25.42%0.02113%0.129CC..Hα-helixtrans-64.3-38.7178.5-63.6169.8000111.7V197 A206 K207 I213 D214 I226 I228 V252 A255V197-L210 HydrophobicContact CG2-CD2 4.19Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.21Å; K207-L210 PolarHBondContact O-N 3.31Å; L210-I213 PolarHBondContact O-N 2.97Å; L210-D214 WeakPolarHBondContact O-CB 3.33Å; L210-D214 PolarHBondContact O-N 2.99Å; L210-I226 HydrophobicContact CD2-CG2 3.86Å; L210-I228 HydrophobicContact CD1-CD1 3.84Å; L210-I228 HydrophobicContact CD2-CD1 3.78Å; L210-I228 HydrophobicContact CD2-CG1 4.23Å; L210-I228 HydrophobicContact CG-CD1 4.44Å; L210-V252 HydrophobicContact CD1-CB 3.93Å; L210-V252 HydrophobicContact CD1-CG1 4.15Å; L210-A255 HydrophobicContact CB-CB 4.15Å; L210-A255 HydrophobicContact CD1-CB 3.83Å; L210-A255 HydrophobicContact CD2-CB 3.73Å; L210-A255 HydrophobicContact CG-CB 4.09Å
211F97.5Very high93.8Very high19 Ų1928.1 Ų28.18%0.08314%0.139CC..Hα-helixtrans-62.4-43.6174.1-170.2-77000111.6F173 V177 K207 A208 A209 D214 L215 R494 Y495F173-F211 HydrophobicContact CE1-CB 4.26Å; F173-F211 HydrophobicContact CE1-CD1 4.43Å; F173-F211 HydrophobicContact CE1-CD2 4.27Å; F173-F211 HydrophobicContact CE1-CG 4.09Å; F173-F211 HydrophobicContact CZ-CB 4.02Å; F173-F211 HydrophobicContact CZ-CD2 4.34Å; F173-F211 HydrophobicContact CZ-CG 4.24Å; V177-F211 HydrophobicContact CG1-CD1 4.03Å; V177-F211 HydrophobicContact CG2-CB 4.34Å; V177-F211 HydrophobicContact CG2-CD1 3.98Å; V177-F211 HydrophobicContact CG2-CG 4.42Å; K207-F211 VanDerWaalsContact O-CB 3.25Å; K207-F211 WeakPolarHBondContact O-CB 3.32Å; K207-F211 PolarHBondContact O-N 3.28Å; A208-F211 PolarHBondContact O-N 2.81Å; A209-F211 VanDerWaalsContact C-N 3.33Å; A209-F211 PolarHBondContact O-N 3.19Å; F211-D214 PolarHBondContact O-N 3.26Å; F211-L215 HydrophobicContact CE1-CD1 4.49Å; F211-L215 WeakPolarHBondContact O-CB 3.45Å; F211-L215 PolarHBondContact O-N 2.9Å; F211-R494 HydrophobicContact CD2-CB 4.12Å; F211-R494 HydrophobicContact CD2-CG 3.55Å; F211-R494 HydrophobicContact CE2-CB 3.91Å; F211-R494 HydrophobicContact CE2-CG 3.67Å; F211-R494 HydrophobicContact CG-CG 4.1Å; F211-R494 HydrophobicContact CZ-CG 4.3Å; F211-Y495 HydrophobicContact CD2-CD1 4.11Å; F211-Y495 AromaticContact CD2-CE1 4Å; F211-Y495 HydrophobicContact CD2-CE1 4Å; F211-Y495 HydrophobicContact CD2-CG 4.41Å; F211-Y495 HydrophobicContact CE2-CD1 4.13Å; F211-Y495 AromaticContact CE2-CD2 3.98Å; F211-Y495 HydrophobicContact CE2-CD2 3.98Å; F211-Y495 AromaticContact CE2-CE1 3.82Å; F211-Y495 HydrophobicContact CE2-CE1 3.82Å; F211-Y495 AromaticContact CE2-CE2 3.65Å; F211-Y495 HydrophobicContact CE2-CE2 3.65Å; F211-Y495 HydrophobicContact CE2-CG 4.18Å; F211-Y495 AromaticContact CE2-CZ 3.54Å; F211-Y495 HydrophobicContact CZ-CE2 4.26Å
212A97.2Very high93.7Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-61.9-43.4175.600000112.3V177 T181 A208 A209 L215 L216V177-A212 HydrophobicContact CG1-CB 4.2Å; T181-A212 WeakPolarHBondContact OG1-CB 3.4Å; A208-A212 WeakPolarHBondContact O-CB 3.44Å; A208-A212 PolarHBondContact O-N 3.38Å; A209-A212 WeakPolarHBondContact O-CB 3.27Å; A209-A212 PolarHBondContact O-N 3.42Å; A212-L215 PolarHBondContact O-N 2.99Å; A212-L216 WeakPolarHBondContact O-CG 3.22Å; A212-L216 PolarHBondContact O-N 3.05Å; A212-L216 VanDerWaalsContact O-N 3.17Å
213I96.6Very high93.5Very high1 Ų135.2 Ų35.21%0.00517%0.17CC..Hα-helixtrans-62.7-47.3177.3-69.7168.5000110.9A184 L195 V197 A209 L210 L215 L216 F217 I226A184-I213 HydrophobicContact CB-CG1 4.26Å; L195-I213 HydrophobicContact CB-CD1 4.28Å; L195-I213 HydrophobicContact CD1-CD1 4.06Å; L195-I213 HydrophobicContact CD1-CG1 3.97Å; L195-I213 HydrophobicContact CD1-CG2 3.81Å; V197-I213 HydrophobicContact CG2-CD1 3.97Å; A209-I213 VanDerWaalsContact O-CG1 3.27Å; A209-I213 WeakPolarHBondContact O-CG1 3.06Å; A209-I213 PolarHBondContact O-N 2.88Å; L210-I213 PolarHBondContact O-N 2.97Å; I213-L215 VanDerWaalsContact C-N 3.31Å; I213-L215 PolarHBondContact O-N 3.45Å; I213-L216 WeakPolarHBondContact O-CB 3.39Å; I213-L216 PolarHBondContact O-N 2.9Å; I213-L216 VanDerWaalsContact O-N 3.14Å; I213-F217 HydrophobicContact CG2-CD2 3.79Å; I213-F217 HydrophobicContact CG2-CE1 4.3Å; I213-F217 HydrophobicContact CG2-CE2 3.22Å; I213-F217 HydrophobicContact CG2-CZ 3.51Å; I213-F217 WeakPolarHBondContact O-CG 3.36Å; I213-F217 PolarHBondContact O-N 2.95Å; I213-I226 HydrophobicContact CG2-CD1 3.89Å; I213-I226 HydrophobicContact CG2-CG1 4.36Å
214D93.9Very high93.4Very high39 Ų3937.2 Ų37.221%0.20918%0.178CC..Hα-helixtrans-64.6-37.3-179.5-157.757.2000111.5L210 F211 L216 F217 E218 R223 R494L210-D214 WeakPolarHBondContact O-CB 3.33Å; L210-D214 PolarHBondContact O-N 2.99Å; F211-D214 PolarHBondContact O-N 3.26Å; D214-L216 VanDerWaalsContact C-N 3.3Å; D214-L216 PolarHBondContact O-N 3.35Å; D214-F217 PolarHBondContact O-N 2.9Å; D214-E218 WeakPolarHBondContact O-CG 3.31Å; D214-E218 PolarHBondContact O-N 3.12Å; D214-R223 IonicContact OD1-NH1 2.85Å; D214-R223 PolarHBondContact OD1-NH1 3.12Å; D214-R494 HydrophobicContact CB-CG 4.26Å; D214-R494 IonicContact OD2-NE 2.76Å
215L93.1Very high93.5Very high37 Ų3737.1 Ų37.119%0.19418%0.178CC..Hα-helixtrans-61.1-36.9173.7-171.2113.9000112.7F211 A212 I213 K219F211-L215 HydrophobicContact CE1-CD1 4.49Å; F211-L215 WeakPolarHBondContact O-CB 3.45Å; F211-L215 PolarHBondContact O-N 2.9Å; A212-L215 PolarHBondContact O-N 2.99Å; I213-L215 VanDerWaalsContact C-N 3.31Å; I213-L215 PolarHBondContact O-N 3.45Å; L215-K219 HydrophobicContact CD2-CD 4.36Å; L215-K219 HydrophobicContact CG-CD 4.28Å; L215-K219 WeakPolarHBondContact O-CB 3.44Å; L215-K219 WeakPolarHBondContact O-CG 3.34Å; L215-K219 PolarHBondContact O-N 3.09Å
216L94.6Very high93.5Very high13 Ų1337.4 Ų37.47%0.06818%0.179CC..Hα-helixtrans-70.5-40.1175.6-72.3173.8000111.8T181 A184 R185 L188 A212 I213 D214 K219 S220 Y221T181-L216 HydrophobicContact CG2-CD1 4.37Å; T181-L216 HydrophobicContact CG2-CD2 3.91Å; T181-L216 HydrophobicContact CG2-CG 4.15Å; A184-L216 HydrophobicContact CB-CD1 3.61Å; R185-L216 HydrophobicContact CB-CD1 4.46Å; L188-L216 HydrophobicContact CD1-CD1 4.3Å; A212-L216 WeakPolarHBondContact O-CG 3.22Å; A212-L216 PolarHBondContact O-N 3.05Å; A212-L216 VanDerWaalsContact O-N 3.17Å; I213-L216 WeakPolarHBondContact O-CB 3.39Å; I213-L216 PolarHBondContact O-N 2.9Å; I213-L216 VanDerWaalsContact O-N 3.14Å; D214-L216 VanDerWaalsContact C-N 3.3Å; D214-L216 PolarHBondContact O-N 3.35Å; L216-K219 PolarHBondContact O-N 3.1Å; L216-S220 PolarHBondContact O-N 3.22Å; L216-Y221 HydrophobicContact CB-CD2 4.07Å; L216-Y221 HydrophobicContact CD2-CD2 4.16Å; L216-Y221 HydrophobicContact CD2-CE2 4.07Å; L216-Y221 PolarHBondContact O-N 2.84Å
217F92.5Very high93.6Very high24 Ų2437.3 Ų37.311%0.10518%0.178CC..Hα-helixtrans-67.2-35.5177.3-65.3-25.3000113.1L188 L195 I213 D214 Y221 E222 R223 K224 I226L188-F217 HydrophobicContact CD1-CE1 4.38Å; L195-F217 HydrophobicContact CD1-CE1 4.38Å; L195-F217 HydrophobicContact CD1-CZ 3.93Å; I213-F217 HydrophobicContact CG2-CD2 3.79Å; I213-F217 HydrophobicContact CG2-CE1 4.3Å; I213-F217 HydrophobicContact CG2-CE2 3.22Å; I213-F217 HydrophobicContact CG2-CZ 3.51Å; I213-F217 WeakPolarHBondContact O-CG 3.36Å; I213-F217 PolarHBondContact O-N 2.95Å; D214-F217 PolarHBondContact O-N 2.9Å; F217-Y221 WeakPolarHBondContact CA-O 3.48Å; F217-E222 WeakPolarHBondContact CE1-O 3.29Å; F217-R223 HydrophobicContact CD2-CB 4.26Å; F217-R223 HydrophobicContact CD2-CG 3.79Å; F217-R223 HydrophobicContact CE2-CB 4.46Å; F217-R223 HydrophobicContact CE2-CG 3.79Å; F217-R223 HydrophobicContact CG-CB 4.31Å; F217-R223 HydrophobicContact CG-CG 4.34Å; F217-R223 HydrophobicContact CZ-CG 4.39Å; F217-K224 HydrophobicContact CE1-CB 4.44Å; F217-K224 HydrophobicContact CZ-CB 4.17Å; F217-K224 VanDerWaalsContact CZ-N 3.29Å; F217-I226 HydrophobicContact CE2-CD1 4.1Å; F217-I226 HydrophobicContact CE2-CG1 4.3Å
218E86.1Confident93.6Very high105 Ų10537 Ų3749%0.49118%0.177SC..Hα-helixtrans-69-34.3175.4-75.4-179.2176.400113.1D214 R494D214-E218 WeakPolarHBondContact O-CG 3.31Å; D214-E218 PolarHBondContact O-N 3.12Å; E218-R494 IonicContact OE1-CZ 3.96Å; E218-R494 IonicContact OE1-NE 2.73Å; E218-R494 PolarHBondContact OE1-NE 2.93Å; E218-R494 IonicContact OE1-NH2 2.67Å; E218-R494 PolarHBondContact OE1-NH2 3.21Å; E218-R494 IonicContact OE2-CZ 3.08Å; E218-R494 IonicContact OE2-NE 2.98Å; E218-R494 IonicContact OE2-NH2 2.83Å; E218-R494 PolarHBondContact OE2-NH2 3.45Å
219K81.8Confident93.6Very high148 Ų14837 Ų3764%0.64318%0.177SC*.Hα-helixtrans-96.2-46.3-169.8-71.3-178.9178.9177.30114.4L215 L216L215-K219 HydrophobicContact CD2-CD 4.36Å; L215-K219 HydrophobicContact CG-CD 4.28Å; L215-K219 WeakPolarHBondContact O-CB 3.44Å; L215-K219 WeakPolarHBondContact O-CG 3.34Å; L215-K219 PolarHBondContact O-N 3.09Å; L216-K219 PolarHBondContact O-N 3.1Å
220S82.9Confident93.6Very high88 Ų8837 Ų3762%0.61518%0.177SC*.THydrogen-bonded Turntrans-143.9-14.8-155-550000115.6L216L216-S220 PolarHBondContact O-N 3.22Å
221Y90.2Very high93.5Very high60 Ų6037.2 Ų37.224%0.23518%0.178CC..SBendtrans-132.2149-171.8-68.8-89.7000113.1R185 L188 D189 L216 F217R185-Y221 HydrophobicContact CG-CE2 4.24Å; R185-Y221 VanDerWaalsContact CG-OH 3.26Å; R185-Y221 WeakPolarHBondContact CG-OH 3.36Å; L188-Y221 HydrophobicContact CB-CD1 3.85Å; L188-Y221 HydrophobicContact CB-CE1 3.81Å; L188-Y221 HydrophobicContact CD1-CD1 3.88Å; L188-Y221 HydrophobicContact CD1-CD2 4.17Å; L188-Y221 HydrophobicContact CD1-CE1 4.38Å; L188-Y221 HydrophobicContact CD1-CG 3.77Å; L188-Y221 HydrophobicContact CG-CD1 4.4Å; D189-Y221 VanDerWaalsContact OD1-CE1 3.27Å; D189-Y221 WeakPolarHBondContact OD1-CE1 3.48Å; D189-Y221 PolarHBondContact OD1-OH 2.87Å; D189-Y221 PolarHBondContact OD2-OH 3.01Å; L216-Y221 HydrophobicContact CB-CD2 4.07Å; L216-Y221 HydrophobicContact CD2-CD2 4.16Å; L216-Y221 HydrophobicContact CD2-CE2 4.07Å; L216-Y221 PolarHBondContact O-N 2.84Å; F217-Y221 WeakPolarHBondContact CA-O 3.48Å
222E89Confident93.2Very high113 Ų11336.5 Ų36.553%0.52818%0.175SC..  trans-67.8140.4168.3-171.1-170.1174.800110.3S20 P21 F217 K224S20-E222 WeakPolarHBondContact CB-OE1 3.28Å; P21-E222 VanDerWaalsContact CD-OE1 3.25Å; P21-E222 WeakPolarHBondContact CD-OE1 3.22Å; F217-E222 WeakPolarHBondContact CE1-O 3.29Å; E222-K224 PolarHBondContact O-N 2.8Å; E222-K224 VanDerWaalsContact O-N 3.16Å
223R90.6Very high92.4Very high74 Ų7439.4 Ų39.428%0.27919%0.193SC..  trans-62.3115.2178.8-170.9176.2-169.496.11.8111.4S20 D214 F217 A255S20-R223 WeakPolarHBondContact CB-O 3.47Å; S20-R223 PolarHBondContact OG-O 3.04Å; D214-R223 IonicContact OD1-NH1 2.85Å; D214-R223 PolarHBondContact OD1-NH1 3.12Å; F217-R223 HydrophobicContact CD2-CB 4.26Å; F217-R223 HydrophobicContact CD2-CG 3.79Å; F217-R223 HydrophobicContact CE2-CB 4.46Å; F217-R223 HydrophobicContact CE2-CG 3.79Å; F217-R223 HydrophobicContact CG-CB 4.31Å; F217-R223 HydrophobicContact CG-CG 4.34Å; F217-R223 HydrophobicContact CZ-CG 4.39Å; R223-A255 PolarHBondContact NH2-O 2.75Å
224K94.3Very high91.4Very high43 Ų4343 Ų4319%0.18721%0.212CC..  trans-91153169.8-63.9-58.3-173.9-174.50111L188 F217 E222 I226L188-K224 HydrophobicContact CD2-CB 4.44Å; L188-K224 HydrophobicContact CD2-CG 3.68Å; F217-K224 HydrophobicContact CE1-CB 4.44Å; F217-K224 HydrophobicContact CZ-CB 4.17Å; F217-K224 VanDerWaalsContact CZ-N 3.29Å; E222-K224 PolarHBondContact O-N 2.8Å; E222-K224 VanDerWaalsContact O-N 3.16Å; K224-I226 PolarHBondContact O-N 3.05Å
225P96.4Very high90.6Very high1 Ų150.7 Ų50.71%0.00624%0.238CC..  trans-57.7135.417223.7-33.9000110.8V22 E23 L26 D193 I194 L195 L258V22-P225 HydrophobicContact CG1-CG 4.24Å; E23-P225 HydrophobicContact CB-CB 4.24Å; E23-P225 HydrophobicContact CB-CG 4.48Å; E23-P225 HydrophobicContact CG-CB 4.25Å; L26-P225 HydrophobicContact CD1-CB 4.46Å; L26-P225 HydrophobicContact CD1-CG 3.92Å; D193-P225 VanDerWaalsContact O-CD 3.31Å; D193-P225 WeakPolarHBondContact O-CD 3.3Å; D193-P225 WeakPolarHBondContact O-CG 3.32Å; I194-P225 WeakPolarHBondContact CA-O 3.28Å; I194-P225 HydrophobicContact CB-CG 4.43Å; I194-P225 HydrophobicContact CG1-CG 3.84Å; L195-P225 PolarHBondContact N-O 3.47Å; P225-L258 HydrophobicContact CB-CB 4.21Å; P225-L258 HydrophobicContact CB-CD2 3.91Å
226I98Very high89.8Confident7 Ų752.3 Ų52.34%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-105.2128.1177.7-54.6174.8000108.6L195 L210 I213 F217 K224 I228 A255 P257 L258L195-I226 CarbonylContact O-C 3.49Å; L195-I226 WeakPolarHBondContact O-CA 3.28Å; L210-I226 HydrophobicContact CD2-CG2 3.86Å; I213-I226 HydrophobicContact CG2-CD1 3.89Å; I213-I226 HydrophobicContact CG2-CG1 4.36Å; F217-I226 HydrophobicContact CE2-CD1 4.1Å; F217-I226 HydrophobicContact CE2-CG1 4.3Å; K224-I226 PolarHBondContact O-N 3.05Å; I226-I228 HydrophobicContact CG2-CD1 4.37Å; I226-I228 HydrophobicContact CG2-CG1 3.91Å; I226-A255 HydrophobicContact CD1-CB 4.49Å; I226-P257 CarbonylContact O-C 3.35Å; I226-P257 WeakPolarHBondContact O-CA 3.4Å; I226-L258 PolarHBondContact O-N 2.81Å
227F98.4Very high89.3Confident1 Ų152 Ų520%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-105.9142.5167.4-72.311.2000109.1I96 I194 L195 L196 V197 L258 C259 I287 I323I96-F227 HydrophobicContact CD1-CE2 3.96Å; I96-F227 HydrophobicContact CD1-CZ 4.35Å; I194-F227 HydrophobicContact CD1-CE1 4.49Å; I194-F227 HydrophobicContact CD1-CE2 4.07Å; I194-F227 HydrophobicContact CD1-CZ 3.91Å; I194-F227 HydrophobicContact CG1-CZ 4.48Å; I194-F227 HydrophobicContact CG2-CB 4.13Å; I194-F227 HydrophobicContact CG2-CD1 3.68Å; I194-F227 HydrophobicContact CG2-CD2 3.89Å; I194-F227 HydrophobicContact CG2-CE1 3.99Å; I194-F227 HydrophobicContact CG2-CE2 4.2Å; I194-F227 HydrophobicContact CG2-CG 3.62Å; I194-F227 HydrophobicContact CG2-CZ 4.24Å; L195-F227 PolarHBondContact O-N 2.97Å; L196-F227 WeakPolarHBondContact CA-O 3.26Å; L196-F227 HydrophobicContact CB-CB 4.28Å; L196-F227 HydrophobicContact CD1-CB 3.47Å; L196-F227 VanDerWaalsContact CD1-CB 3.47Å; L196-F227 HydrophobicContact CG-CB 4.47Å; V197-F227 PolarHBondContact N-O 2.87Å; F227-L258 HydrophobicContact CD1-CB 4.38Å; F227-L258 HydrophobicContact CE1-CB 4.13Å; F227-L258 HydrophobicContact CE1-CD2 4.08Å; F227-L258 HydrophobicContact CE1-CG 4.28Å; F227-C259 WeakPolarHBondContact CA-O 3.46Å; F227-C259 HydrophobicContact CB-CB 4.47Å; F227-C259 HydrophobicContact CD1-CB 3.56Å; F227-C259 HydrophobicContact CD2-CB 4.2Å; F227-C259 HydrophobicContact CE1-CB 3.74Å; F227-C259 WeakPolarHBondContact CE1-SG 3.47Å; F227-C259 HydrophobicContact CE2-CB 4.35Å; F227-C259 HydrophobicContact CG-CB 3.82Å; F227-C259 HydrophobicContact CZ-CB 4.14Å; F227-C259 WeakPolarHBondContact CZ-SG 3.37Å; F227-I287 HydrophobicContact CD2-CD1 3.72Å; F227-I287 HydrophobicContact CE2-CD1 4.08Å; F227-I323 HydrophobicContact CD2-CD1 4.37Å; F227-I323 HydrophobicContact CE2-CD1 3.38Å; F227-I323 HydrophobicContact CZ-CD1 3.52Å
228I98.6Very high89.3Confident0 Ų054.2 Ų54.20%026%0.26CS..EExtended strand (participates in β ladder)trans-131.7122.8-178.7-56.5-179.2000108.9V197 I200 L210 I226 F248 V252 A255 P257 C259 I260 G261V197-I228 CarbonylContact O-C 3.52Å; V197-I228 WeakPolarHBondContact O-CA 3.39Å; I200-I228 HydrophobicContact CD1-CG2 3.51Å; L210-I228 HydrophobicContact CD1-CD1 3.84Å; L210-I228 HydrophobicContact CD2-CD1 3.78Å; L210-I228 HydrophobicContact CD2-CG1 4.23Å; L210-I228 HydrophobicContact CG-CD1 4.44Å; I226-I228 HydrophobicContact CG2-CD1 4.37Å; I226-I228 HydrophobicContact CG2-CG1 3.91Å; I228-F248 HydrophobicContact CG2-CE1 4.36Å; I228-F248 HydrophobicContact CG2-CE2 4.44Å; I228-F248 HydrophobicContact CG2-CZ 3.66Å; I228-V252 HydrophobicContact CD1-CB 3.99Å; I228-V252 HydrophobicContact CD1-CG2 4.01Å; I228-V252 HydrophobicContact CG2-CG2 4.13Å; I228-A255 HydrophobicContact CD1-CB 4.46Å; I228-P257 HydrophobicContact CD1-CB 3.72Å; I228-P257 HydrophobicContact CD1-CG 3.94Å; I228-P257 HydrophobicContact CG1-CB 3.91Å; I228-C259 PolarHBondContact N-O 3.49Å; I228-I260 HydrophobicContact CB-CG1 4.32Å; I228-I260 CarbonylContact O-C 3.31Å; I228-I260 WeakPolarHBondContact O-CA 3.42Å; I228-G261 PolarHBondContact O-N 3.39Å
229S98.3Very high89.5Confident0 Ų049.4 Ų49.40%024%0.238CC..EExtended strand (participates in β ladder)trans-126.6118.8178.9-168.60000112.1V197 E198 T199 I200 G261 L262 N263 Y289V197-S229 PolarHBondContact O-N 2.87Å; E198-S229 CarbonylContact C-O 3.4Å; T199-S229 PolarHBondContact N-O 3.36Å; I200-S229 WeakPolarHBondContact CD1-O 3.47Å; I200-S229 WeakPolarHBondContact CG1-O 3.48Å; I200-S229 PolarHBondContact N-O 3.06Å; I200-S229 VanDerWaalsContact N-O 3.12Å; S229-G261 WeakPolarHBondContact CA-O 3.42Å; S229-L262 WeakPolarHBondContact OG-CA 3.38Å; S229-N263 VanDerWaalsContact CB-OD1 3.29Å; S229-N263 WeakPolarHBondContact CB-OD1 3.44Å; S229-N263 WeakPolarHBondContact OG-CB 3.45Å; S229-N263 VanDerWaalsContact OG-CG 3.31Å; S229-N263 PolarHBondContact OG-N 3.49Å; S229-N263 PolarHBondContact OG-OD1 3.44Å; S229-Y289 WeakPolarHBondContact CB-OH 3.48Å; S229-Y289 WeakPolarHBondContact OG-CE1 3.32Å; S229-Y289 PolarHBondContact OG-OH 3.02Å
230G97.3Very high89.6Confident0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-86.2161.5174.900000112.8G261 L262 N263G230-G261 PolarHBondContact N-O 3.11Å; G230-L262 VanDerWaalsContact O-CA 3.23Å; G230-L262 WeakPolarHBondContact O-CA 3.49Å; G230-L262 VanDerWaalsContact O-CD2 3.29Å; G230-L262 WeakPolarHBondContact O-CD2 3.37Å; G230-N263 PolarHBondContact O-N 2.91Å
231T95.6Very high89.7Confident8 Ų843.7 Ų43.75%0.04921%0.208CC..  trans-123.9120.7172.8-61.90000110.5T199 I200 N263 C264 A265T199-T231 VanDerWaalsContact CA-OG1 3.28Å; T199-T231 WeakPolarHBondContact CA-OG1 3.23Å; I200-T231 PolarHBondContact O-N 3.48Å; I200-T231 VanDerWaalsContact O-N 3.07Å; T231-N263 WeakPolarHBondContact CG2-O 3.44Å; T231-N263 PolarHBondContact OG1-O 3.16Å; T231-C264 HydrophobicContact CG2-CB 4.41Å; T231-A265 HydrophobicContact CG2-CB 3.51Å
232I91.1Very high89.6Confident4 Ų441.8 Ų41.82%0.02121%0.207CC..  trans-94124.7174.2-61.1-53.7000108.1D234 T239 L262 A265 L266 F274I232-D234 VanDerWaalsContact CG2-O 3.31Å; I232-D234 WeakPolarHBondContact CG2-O 3.39Å; I232-T239 HydrophobicContact CD1-CG2 4.09Å; I232-L262 HydrophobicContact CD1-CD2 4.44Å; I232-L262 HydrophobicContact CG1-CD1 3.94Å; I232-L262 HydrophobicContact CG1-CD2 3.9Å; I232-A265 VanDerWaalsContact O-CB 3.3Å; I232-A265 WeakPolarHBondContact O-CB 3.2Å; I232-L266 HydrophobicContact CB-CD1 4.24Å; I232-L266 HydrophobicContact CG2-CD1 4.03Å; I232-F274 HydrophobicContact CG2-CD2 4.1Å; I232-F274 HydrophobicContact CG2-CE2 4.04Å
233V81.6Confident89.8Confident62 Ų6236.4 Ų36.438%0.37618%0.182SC..  trans-87.3-21.3-167.4-640000114.1R238 L240V233-R238 PolarHBondContact N-O 3.29Å; V233-R238 VanDerWaalsContact N-O 3.14Å; V233-L240 HydrophobicContact CG1-CB 4.15Å
234D75.8Confident90Very high76 Ų7634.1 Ų34.141%0.40618%0.176SC..SBendtrans-155.8-177.9-177.165.924.7000112.5I232 S236 G237I232-D234 VanDerWaalsContact CG2-O 3.31Å; I232-D234 WeakPolarHBondContact CG2-O 3.39Å; D234-S236 PolarHBondContact O-N 3.01Å; D234-S236 VanDerWaalsContact O-N 3.12Å; D234-S236 WeakPolarHBondContact OD1-CA 3.42Å; D234-S236 WeakPolarHBondContact OD1-CB 3.02Å; D234-S236 PolarHBondContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.15Å; D234-G237 PolarHBondContact O-N 2.96Å
235R75.9Confident90Very high200 Ų20032.6 Ų32.676%0.75517%0.173SC*.THydrogen-bonded Turntrans-68.2-3.9179.3-65.2-175178.7-176.9-1.5114.3G237R235-G237 PolarHBondContact O-N 3.35Å
236S77.6Confident90Very high71 Ų7135.5 Ų35.550%0.49719%0.186SC..THydrogen-bonded Turntrans-74.3-13.7173.978.50000113D234D234-S236 PolarHBondContact O-N 3.01Å; D234-S236 VanDerWaalsContact O-N 3.12Å; D234-S236 WeakPolarHBondContact OD1-CA 3.42Å; D234-S236 WeakPolarHBondContact OD1-CB 3.02Å; D234-S236 PolarHBondContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.15Å
237G83Confident89.9Confident7 Ų735.1 Ų35.17%0.07218%0.184CC..  trans77.623.2179.500000114.2D234 R235 F274D234-G237 PolarHBondContact O-N 2.96Å; R235-G237 PolarHBondContact O-N 3.35Å; G237-F274 VanDerWaalsContact CA-CZ 3.49Å
238R91.8Very high89.9Confident70 Ų7035.2 Ų35.226%0.26418%0.184SC..BIsolated β-bridgetrans-116.2149.4-177.7-64.9177.5-179.1-90.80.5112.9V233 G242 Q243 T244 E365V233-R238 PolarHBondContact N-O 3.29Å; V233-R238 VanDerWaalsContact N-O 3.14Å; R238-G242 WeakPolarHBondContact CD-O 3.43Å; R238-G242 PolarHBondContact NH1-O 3.2Å; R238-Q243 CarbonylContact C-O 3.59Å; R238-Q243 VanDerWaalsContact CA-O 3.28Å; R238-Q243 WeakPolarHBondContact CA-O 3.26Å; R238-T244 HydrophobicContact CG-CG2 4.23Å; R238-E365 IonicContact CZ-OE1 3.16Å; R238-E365 IonicContact NH1-OE1 3.47Å; R238-E365 IonicContact NH2-OE1 3.69Å; R238-E365 PolarHBondContact NH2-OE1 3.36Å
239T90.6Very high89.7Confident5 Ų535.3 Ų35.33%0.03119%0.185CC..  trans-68.9170.516758.20000110.8I232 S241 G242 Q243I232-T239 HydrophobicContact CD1-CG2 4.09Å; T239-S241 PolarHBondContact O-N 3.1Å; T239-S241 PolarHBondContact OG1-OG 3.11Å; T239-G242 WeakPolarHBondContact O-CA 3.32Å; T239-G242 PolarHBondContact O-N 2.99Å; T239-Q243 PolarHBondContact N-O 3.41Å; T239-Q243 WeakPolarHBondContact OG1-CB 3.47Å; T239-Q243 PolarHBondContact OG1-N 2.98Å; T239-Q243 PolarHBondContact OG1-O 3.42Å
240L85.3Confident89.7Confident104 Ų10435.7 Ų35.755%0.54519%0.188SC..THydrogen-bonded Turntrans-60.7-32.5175.4-172.765000112.2F201 V233 G242F201-L240 HydrophobicContact CB-CB 3.84Å; F201-L240 HydrophobicContact CB-CD2 4.25Å; F201-L240 HydrophobicContact CD2-CB 4.49Å; F201-L240 HydrophobicContact CD2-CD2 3.98Å; F201-L240 HydrophobicContact CG-CD2 4.22Å; F201-L240 PolarHBondContact O-N 3.03Å; V233-L240 HydrophobicContact CG1-CB 4.15Å; L240-G242 PolarHBondContact O-N 3.36Å
241S84.4Confident89.7Confident12 Ų1235.8 Ų35.88%0.08419%0.188CC..THydrogen-bonded Turntrans-76.13.2173.2700000114.3S158 F201 T239 L364 Q468S158-S241 WeakPolarHBondContact OG-CB 3.38Å; F201-S241 PolarHBondContact O-N 3Å; F201-S241 VanDerWaalsContact O-N 3.13Å; T239-S241 PolarHBondContact O-N 3.1Å; T239-S241 PolarHBondContact OG1-OG 3.11Å; S241-L364 VanDerWaalsContact O-CD2 3.31Å; S241-L364 WeakPolarHBondContact O-CD2 3.26Å; S241-Q468 VanDerWaalsContact CB-OE1 3.27Å; S241-Q468 PolarHBondContact O-NE2 2.98Å; S241-Q468 PolarHBondContact OG-OE1 3.37Å
242G87.4Confident89.8Confident20 Ų2035.4 Ų35.421%0.20619%0.186CC..SBendtrans85.95.3174.200000115.2R238 T239 L240R238-G242 WeakPolarHBondContact CD-O 3.43Å; R238-G242 PolarHBondContact NH1-O 3.2Å; T239-G242 WeakPolarHBondContact O-CA 3.32Å; T239-G242 PolarHBondContact O-N 2.99Å; L240-G242 PolarHBondContact O-N 3.36Å
243Q93.7Very high89.9Confident0 Ų037.4 Ų37.40%020%0.2CC..  trans-85138.5-175-168.8174.156.200111.5T203 R238 T239 A247 S251 G363 L364T203-Q243 VanDerWaalsContact CB-OE1 3.26Å; T203-Q243 PolarHBondContact OG1-OE1 2.85Å; R238-Q243 CarbonylContact C-O 3.59Å; R238-Q243 VanDerWaalsContact CA-O 3.28Å; R238-Q243 WeakPolarHBondContact CA-O 3.26Å; T239-Q243 PolarHBondContact N-O 3.41Å; T239-Q243 WeakPolarHBondContact OG1-CB 3.47Å; T239-Q243 PolarHBondContact OG1-N 2.98Å; T239-Q243 PolarHBondContact OG1-O 3.42Å; Q243-A247 HydrophobicContact CG-CB 3.48Å; Q243-A247 VanDerWaalsContact CG-CB 3.48Å; Q243-S251 PolarHBondContact NE2-OG 2.77Å; Q243-G363 PolarHBondContact NE2-O 2.75Å; Q243-L364 WeakPolarHBondContact CA-O 3.4Å; Q243-L364 HydrophobicContact CB-CD2 4.3Å
244T95.5Very high90.5Very high26 Ų2636.8 Ų36.816%0.1619%0.193CC..BIsolated β-bridgetrans-75.2158.4176.366.80000112R238 E246 A247 F248 L364 E365R238-T244 HydrophobicContact CG-CG2 4.23Å; T244-E246 VanDerWaalsContact C-N 3.3Å; T244-E246 PolarHBondContact O-N 2.79Å; T244-A247 PolarHBondContact O-N 2.87Å; T244-A247 VanDerWaalsContact O-N 3.16Å; T244-A247 WeakPolarHBondContact OG1-CB 3.4Å; T244-A247 PolarHBondContact OG1-N 2.99Å; T244-F248 WeakPolarHBondContact O-CB 3.42Å; T244-F248 PolarHBondContact O-N 3.15Å; T244-L364 PolarHBondContact N-O 3.39Å; T244-E365 HydrophobicContact CG2-CG 4.12Å
245G94.1Very high91.4Very high11 Ų1133.6 Ų33.611%0.11318%0.177CC..Hα-helixtrans-55.8-39.9177.900000114F248 V249G245-F248 WeakPolarHBondContact O-CB 3.33Å; G245-F248 PolarHBondContact O-N 3.23Å; G245-V249 WeakPolarHBondContact O-CG2 3.41Å; G245-V249 PolarHBondContact O-N 2.96Å; G245-V249 VanDerWaalsContact O-N 3.11Å
246E95.3Very high92.2Very high61 Ų6130.6 Ų30.629%0.28517%0.169SC..Hα-helixtrans-67.1-42.1177-63.1-178.6-124.900112.4T244 F248 V249 V250 P366 R368T244-E246 VanDerWaalsContact C-N 3.3Å; T244-E246 PolarHBondContact O-N 2.79Å; E246-F248 VanDerWaalsContact C-N 3.33Å; E246-V249 PolarHBondContact O-N 3.23Å; E246-V250 WeakPolarHBondContact O-CG2 3.5Å; E246-V250 PolarHBondContact O-N 3.39Å; E246-P366 HydrophobicContact CB-CB 4.3Å; E246-P366 HydrophobicContact CB-CG 3.79Å; E246-R368 IonicContact OE2-CZ 2.97Å; E246-R368 IonicContact OE2-NH1 4Å; E246-R368 PolarHBondContact OE2-NH1 3.33Å; E246-R368 IonicContact OE2-NH2 3.99Å; E246-R368 PolarHBondContact OE2-NH2 2.74Å
247A96.8Very high93.1Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-66.2-37176.200000112Q243 T244 V250 S251 L364Q243-A247 HydrophobicContact CG-CB 3.48Å; Q243-A247 VanDerWaalsContact CG-CB 3.48Å; T244-A247 PolarHBondContact O-N 2.87Å; T244-A247 VanDerWaalsContact O-N 3.16Å; T244-A247 WeakPolarHBondContact OG1-CB 3.4Å; T244-A247 PolarHBondContact OG1-N 2.99Å; A247-V250 PolarHBondContact O-N 2.99Å; A247-S251 WeakPolarHBondContact O-CB 3.41Å; A247-S251 PolarHBondContact O-N 3.23Å; A247-S251 PolarHBondContact O-OG 3.23Å; A247-L364 WeakPolarHBondContact CB-O 3.43Å
248F97.4Very high93.7Very high2 Ų227.7 Ų27.71%0.00915%0.147CC..Hα-helixtrans-58.8-50.4174.2167.9-109.2000111.2I200 T203 I228 T244 G245 E246 V250 S251 V252 I260I200-F248 HydrophobicContact CB-CE2 4.31Å; I200-F248 HydrophobicContact CD1-CE2 4.01Å; I200-F248 HydrophobicContact CD1-CZ 3.84Å; I200-F248 HydrophobicContact CG2-CE2 4Å; T203-F248 HydrophobicContact CG2-CD2 4.01Å; T203-F248 HydrophobicContact CG2-CE2 4.46Å; I228-F248 HydrophobicContact CG2-CE1 4.36Å; I228-F248 HydrophobicContact CG2-CE2 4.44Å; I228-F248 HydrophobicContact CG2-CZ 3.66Å; T244-F248 WeakPolarHBondContact O-CB 3.42Å; T244-F248 PolarHBondContact O-N 3.15Å; G245-F248 WeakPolarHBondContact O-CB 3.33Å; G245-F248 PolarHBondContact O-N 3.23Å; E246-F248 VanDerWaalsContact C-N 3.33Å; F248-V250 VanDerWaalsContact C-N 3.32Å; F248-V250 PolarHBondContact O-N 3.34Å; F248-S251 WeakPolarHBondContact O-CB 3.32Å; F248-S251 PolarHBondContact O-N 3.36Å; F248-V252 HydrophobicContact CD2-CG1 4.26Å; F248-V252 HydrophobicContact CE2-CG1 3.94Å; F248-V252 HydrophobicContact CE2-CG2 4.49Å; F248-V252 HydrophobicContact CZ-CG2 4.41Å; F248-V252 WeakPolarHBondContact O-CG2 3.31Å; F248-V252 PolarHBondContact O-N 3.47Å; F248-I260 HydrophobicContact CE1-CD1 4.16Å; F248-I260 HydrophobicContact CE1-CG1 4.18Å
249V96.4Very high94Very high2 Ų224.3 Ų24.31%0.01214%0.135CC..Hα-helixtrans-53.3-49.7176.1171.60000110.9G245 E246 S251 V252 S253 I260 I278G245-V249 WeakPolarHBondContact O-CG2 3.41Å; G245-V249 PolarHBondContact O-N 2.96Å; G245-V249 VanDerWaalsContact O-N 3.11Å; E246-V249 PolarHBondContact O-N 3.23Å; V249-S251 VanDerWaalsContact C-N 3.28Å; V249-S251 PolarHBondContact O-N 3.28Å; V249-V252 PolarHBondContact O-N 2.81Å; V249-S253 WeakPolarHBondContact O-CB 3.21Å; V249-S253 PolarHBondContact O-N 3.12Å; V249-S253 PolarHBondContact O-OG 3.02Å; V249-I260 HydrophobicContact CB-CD1 4.34Å; V249-I260 HydrophobicContact CG1-CD1 4.44Å; V249-I260 HydrophobicContact CG2-CD1 3.95Å; V249-I278 HydrophobicContact CG2-CB 4.33Å; V249-I278 HydrophobicContact CG2-CG1 4.12Å; V249-I278 HydrophobicContact CG2-CG2 3.78Å
250V96.8Very high94.3Very high9 Ų924.1 Ų24.16%0.05513%0.133CC..Hα-helixtrans-58.3-42.1179172.10000111.6E246 A247 F248 V252 L360 P366 K470E246-V250 WeakPolarHBondContact O-CG2 3.5Å; E246-V250 PolarHBondContact O-N 3.39Å; A247-V250 PolarHBondContact O-N 2.99Å; F248-V250 VanDerWaalsContact C-N 3.32Å; F248-V250 PolarHBondContact O-N 3.34Å; V250-V252 VanDerWaalsContact C-N 3.33Å; V250-V252 PolarHBondContact O-N 3.36Å; V250-L360 HydrophobicContact CG1-CB 3.77Å; V250-L360 HydrophobicContact CG2-CB 4.16Å; V250-L360 HydrophobicContact CG2-CD1 4.43Å; V250-P366 HydrophobicContact CG2-CB 4.49Å; V250-K470 HydrophobicContact CG1-CB 4.02Å; V250-K470 HydrophobicContact CG1-CD 4.17Å
251S97.6Very high94.9Very high1 Ų119.1 Ų19.11%0.00711%0.107CC..Hα-helixtrans-67.3-31.2-174.9-52.30000113.3Q243 A247 F248 V249 H254 S362Q243-S251 PolarHBondContact NE2-OG 2.77Å; A247-S251 WeakPolarHBondContact O-CB 3.41Å; A247-S251 PolarHBondContact O-N 3.23Å; A247-S251 PolarHBondContact O-OG 3.23Å; F248-S251 WeakPolarHBondContact O-CB 3.32Å; F248-S251 PolarHBondContact O-N 3.36Å; V249-S251 VanDerWaalsContact C-N 3.28Å; V249-S251 PolarHBondContact O-N 3.28Å; S251-H254 PolarHBondContact O-CE1 3.11Å; S251-H254 VanDerWaalsContact O-CE1 3.32Å; S251-H254 PolarHBondContact O-ND1 2.93Å; S251-S362 PolarHBondContact OG-OG 2.68Å
252V97.3Very high95.5Very high0 Ų018.6 Ų18.60%010%0.104CC..Hα-helixtrans-107.1-7.3-175.2-55.40000114.2T203 L210 I228 F248 V249 V250 H254 A255 I260T203-V252 HydrophobicContact CG2-CG1 3.94Å; L210-V252 HydrophobicContact CD1-CB 3.93Å; L210-V252 HydrophobicContact CD1-CG1 4.15Å; I228-V252 HydrophobicContact CD1-CB 3.99Å; I228-V252 HydrophobicContact CD1-CG2 4.01Å; I228-V252 HydrophobicContact CG2-CG2 4.13Å; F248-V252 HydrophobicContact CD2-CG1 4.26Å; F248-V252 HydrophobicContact CE2-CG1 3.94Å; F248-V252 HydrophobicContact CE2-CG2 4.49Å; F248-V252 HydrophobicContact CZ-CG2 4.41Å; F248-V252 WeakPolarHBondContact O-CG2 3.31Å; F248-V252 PolarHBondContact O-N 3.47Å; V249-V252 PolarHBondContact O-N 2.81Å; V250-V252 VanDerWaalsContact C-N 3.33Å; V250-V252 PolarHBondContact O-N 3.36Å; V252-H254 PolarHBondContact O-N 3.44Å; V252-H254 VanDerWaalsContact O-N 3.12Å; V252-A255 PolarHBondContact O-N 3.1Å; V252-A255 VanDerWaalsContact O-N 3.15Å; V252-I260 HydrophobicContact CG2-CD1 3.52Å
253S94.8Very high95.9Very high46 Ų4617.7 Ų17.732%0.3229%0.094SC..G310 helixtrans-60.2-25.2-177.3-74.10000114.2V249 A255 K256V249-S253 WeakPolarHBondContact O-CB 3.21Å; V249-S253 PolarHBondContact O-N 3.12Å; V249-S253 PolarHBondContact O-OG 3.02Å; S253-A255 PolarHBondContact O-N 3.15Å; S253-K256 PolarHBondContact O-N 2.66Å
254H94.1Very high95.8Very high50 Ų5018.7 Ų18.723%0.23110%0.101CC..G310 helixtrans-59-27.5177.869-81.7000113.2S251 V252 K256 G496S251-H254 PolarHBondContact O-CE1 3.11Å; S251-H254 VanDerWaalsContact O-CE1 3.32Å; S251-H254 PolarHBondContact O-ND1 2.93Å; V252-H254 PolarHBondContact O-N 3.44Å; V252-H254 VanDerWaalsContact O-N 3.12Å; H254-K256 PolarHBondContact O-N 3.34Å; H254-G496 VanDerWaalsContact CB-CA 3.45Å
255A93.9Very high95.4Very high9 Ų918.9 Ų18.97%0.07411%0.105CC..G310 helixtrans-74.2-6176.600000113.6L210 R223 I226 I228 V252 S253L210-A255 HydrophobicContact CB-CB 4.15Å; L210-A255 HydrophobicContact CD1-CB 3.83Å; L210-A255 HydrophobicContact CD2-CB 3.73Å; L210-A255 HydrophobicContact CG-CB 4.09Å; R223-A255 PolarHBondContact NH2-O 2.75Å; I226-A255 HydrophobicContact CD1-CB 4.49Å; I228-A255 HydrophobicContact CD1-CB 4.46Å; V252-A255 PolarHBondContact O-N 3.1Å; V252-A255 VanDerWaalsContact O-N 3.15Å; S253-A255 PolarHBondContact O-N 3.15Å
256K92.7Very high95.1Very high136 Ų13618.8 Ų18.859%0.59110%0.102SC*.  trans51.457.6-177.9-56.6-179.8-179.4-175.10111.9S253 H254S253-K256 PolarHBondContact O-N 2.66Å; H254-K256 PolarHBondContact O-N 3.34Å
257P95.6Very high94.9Very high14 Ų1415.9 Ų15.99%0.0919%0.088CC..  trans-63143-179.928.6-35.7000111I226 I228I226-P257 CarbonylContact O-C 3.35Å; I226-P257 WeakPolarHBondContact O-CA 3.4Å; I228-P257 HydrophobicContact CD1-CB 3.72Å; I228-P257 HydrophobicContact CD1-CG 3.94Å; I228-P257 HydrophobicContact CG1-CB 3.91Å
258L96.5Very high94.5Very high3 Ų315.9 Ų15.92%0.0169%0.088CC..SBendtrans-70.8-41.6170.9-178.362.1000109.7E23 L26 R27 L30 P225 I226 F227 F285E23-L258 HydrophobicContact CG-CD1 4.28Å; E23-L258 HydrophobicContact CG-CD2 4.12Å; L26-L258 HydrophobicContact CB-CD2 3.86Å; L26-L258 HydrophobicContact CD1-CD2 4.32Å; R27-L258 HydrophobicContact CB-CD1 4.43Å; L30-L258 HydrophobicContact CD1-CD2 4.34Å; L30-L258 HydrophobicContact CD1-CG 4.48Å; P225-L258 HydrophobicContact CB-CB 4.21Å; P225-L258 HydrophobicContact CB-CD2 3.91Å; I226-L258 PolarHBondContact O-N 2.81Å; F227-L258 HydrophobicContact CD1-CB 4.38Å; F227-L258 HydrophobicContact CE1-CB 4.13Å; F227-L258 HydrophobicContact CE1-CD2 4.08Å; F227-L258 HydrophobicContact CE1-CG 4.28Å; L258-F285 HydrophobicContact CD1-CD2 3.76Å; L258-F285 HydrophobicContact CD1-CE2 3.76Å; L258-F285 HydrophobicContact CG-CD2 4.13Å; L258-F285 WeakPolarHBondContact O-CD2 3.48Å; L258-F285 PolarHBondContact O-N 3.06Å
259C97.1Very high94Very high0 Ų020.4 Ų20.40%012%0.116CC..EExtended strand (participates in β ladder)trans-128.7141.6177.7-600000111.2F227 I228 F285 I287 I323F227-C259 WeakPolarHBondContact CA-O 3.46Å; F227-C259 HydrophobicContact CB-CB 4.47Å; F227-C259 HydrophobicContact CD1-CB 3.56Å; F227-C259 HydrophobicContact CD2-CB 4.2Å; F227-C259 HydrophobicContact CE1-CB 3.74Å; F227-C259 WeakPolarHBondContact CE1-SG 3.47Å; F227-C259 HydrophobicContact CE2-CB 4.35Å; F227-C259 HydrophobicContact CG-CB 3.82Å; F227-C259 HydrophobicContact CZ-CB 4.14Å; F227-C259 WeakPolarHBondContact CZ-SG 3.37Å; I228-C259 PolarHBondContact N-O 3.49Å; C259-F285 CarbonylContact C-O 3.51Å; C259-F285 VanDerWaalsContact CA-O 3.22Å; C259-F285 WeakPolarHBondContact CA-O 3.32Å; C259-I287 HydrophobicContact CB-CB 4.34Å; C259-I287 HydrophobicContact CB-CG2 4.17Å; C259-I323 HydrophobicContact CB-CD1 4.48Å; C259-I323 VanDerWaalsContact SG-CD1 3.56Å
260I97.8Very high93.6Very high0 Ų022.5 Ų22.50%013%0.126CC..EExtended strand (participates in β ladder)trans-134.7144.8171.6-166.2163.4000110.3I228 F248 V249 V252 I278 T282 A284 F285 I286 I287I228-I260 HydrophobicContact CB-CG1 4.32Å; I228-I260 CarbonylContact O-C 3.31Å; I228-I260 WeakPolarHBondContact O-CA 3.42Å; F248-I260 HydrophobicContact CE1-CD1 4.16Å; F248-I260 HydrophobicContact CE1-CG1 4.18Å; V249-I260 HydrophobicContact CB-CD1 4.34Å; V249-I260 HydrophobicContact CG1-CD1 4.44Å; V249-I260 HydrophobicContact CG2-CD1 3.95Å; V252-I260 HydrophobicContact CG2-CD1 3.52Å; I260-I278 HydrophobicContact CG2-CG2 4.28Å; I260-T282 HydrophobicContact CG2-CG2 3.58Å; I260-A284 HydrophobicContact CG2-CB 3.94Å; I260-F285 PolarHBondContact N-O 2.94Å; I260-I286 HydrophobicContact CG2-CD1 4.05Å; I260-I286 VanDerWaalsContact O-CA 3.32Å; I260-I286 WeakPolarHBondContact O-CA 3.28Å; I260-I286 VanDerWaalsContact O-CD1 3.31Å; I260-I286 WeakPolarHBondContact O-CD1 3.07Å; I260-I287 PolarHBondContact O-N 2.94Å
261G97.2Very high93.4Very high0 Ų022.2 Ų22.20%012%0.124CC..EExtended strand (participates in β ladder)trans176.6-144173.100000113.8I228 S229 G230 I287I228-G261 PolarHBondContact O-N 3.39Å; S229-G261 WeakPolarHBondContact CA-O 3.42Å; G230-G261 PolarHBondContact N-O 3.11Å; G261-I287 WeakPolarHBondContact CA-O 3.45Å
262L97.5Very high93.2Very high1 Ų127.5 Ų27.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-135149.7-169.7-62.2176.1000113.2S229 G230 I232 M271 F274 I275 I278 I287 C288 Y289S229-L262 WeakPolarHBondContact OG-CA 3.38Å; G230-L262 VanDerWaalsContact O-CA 3.23Å; G230-L262 WeakPolarHBondContact O-CA 3.49Å; G230-L262 VanDerWaalsContact O-CD2 3.29Å; G230-L262 WeakPolarHBondContact O-CD2 3.37Å; I232-L262 HydrophobicContact CD1-CD2 4.44Å; I232-L262 HydrophobicContact CG1-CD1 3.94Å; I232-L262 HydrophobicContact CG1-CD2 3.9Å; L262-M271 HydrophobicContact CB-CG 4.14Å; L262-M271 HydrophobicContact CB-SD 3.59Å; L262-M271 VanDerWaalsContact CB-SD 3.59Å; L262-M271 HydrophobicContact CD1-CG 4Å; L262-F274 HydrophobicContact CD1-CB 3.64Å; L262-I275 HydrophobicContact CB-CD1 3.91Å; L262-I275 HydrophobicContact CD1-CD1 4.15Å; L262-I275 HydrophobicContact CD1-CG1 4.35Å; L262-I275 HydrophobicContact CG-CD1 4.04Å; L262-I278 HydrophobicContact CD1-CD1 3.72Å; L262-I278 HydrophobicContact CD2-CD1 3.71Å; L262-I278 HydrophobicContact CG-CD1 3.56Å; L262-I287 PolarHBondContact N-O 3.28Å; L262-I287 VanDerWaalsContact N-O 3.14Å; L262-C288 WeakPolarHBondContact O-CA 3.22Å; L262-Y289 PolarHBondContact O-N 3.44Å; L262-Y289 VanDerWaalsContact O-N 3.16Å
263N96.5Very high93Very high0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-149.4160.4174.476.3-68.1000113.4T199 S229 G230 T231 Y289T199-N263 PolarHBondContact N-OD1 2.92Å; T199-N263 VanDerWaalsContact N-OD1 3.15Å; T199-N263 PolarHBondContact OG1-ND2 3.45Å; S229-N263 VanDerWaalsContact CB-OD1 3.29Å; S229-N263 WeakPolarHBondContact CB-OD1 3.44Å; S229-N263 WeakPolarHBondContact OG-CB 3.45Å; S229-N263 VanDerWaalsContact OG-CG 3.31Å; S229-N263 PolarHBondContact OG-N 3.49Å; S229-N263 PolarHBondContact OG-OD1 3.44Å; G230-N263 PolarHBondContact O-N 2.91Å; T231-N263 WeakPolarHBondContact CG2-O 3.44Å; T231-N263 PolarHBondContact OG1-O 3.16Å; N263-Y289 WeakPolarHBondContact CA-O 3.42Å; N263-Y289 HydrophobicContact CB-CD1 3.75Å; N263-Y289 HydrophobicContact CB-CD2 3.35Å; N263-Y289 HydrophobicContact CB-CE1 3.55Å; N263-Y289 HydrophobicContact CB-CE2 3.15Å; N263-Y289 HydrophobicContact CB-CG 3.64Å; N263-Y289 WeakPolarHBondContact CB-O 3.36Å; N263-Y289 VanDerWaalsContact CG-CE2 3.47Å; N263-Y289 VanDerWaalsContact CG-CZ 3.47Å; N263-Y289 WeakPolarHBondContact ND2-CE2 3.43Å
264C91.3Very high93Very high21 Ų2130.3 Ų30.314%0.14216%0.158CC..SBendtrans60.4-174.5174.8-156.10000114.2T231 L266 M271 Y289 N291 C327T231-C264 HydrophobicContact CG2-CB 4.41Å; C264-L266 PolarHBondContact O-N 3.39Å; C264-M271 WeakPolarHBondContact O-CE 3.37Å; C264-Y289 PolarHBondContact N-O 3.12Å; C264-N291 WeakPolarHBondContact CA-OD1 3.42Å; C264-C327 HydrophobicContact CB-CB 4.27Å; C264-C327 VanDerWaalsContact CB-SG 3.57Å
265A87.7Confident93.1Very high31 Ų3128 Ų2826%0.25615%0.147SC..SBendtrans58.9-42.4-179.500000117T231 I232 N291T231-A265 HydrophobicContact CG2-CB 3.51Å; I232-A265 VanDerWaalsContact O-CB 3.3Å; I232-A265 WeakPolarHBondContact O-CB 3.2Å; A265-N291 PolarHBondContact N-ND2 3.27Å
266L87.6Confident93.1Very high8 Ų831.1 Ų31.14%0.04216%0.16CC..SBendtrans-115.6152.6-177.1-62.2178.5000110.8I232 C264 E270 M271 F274 N291I232-L266 HydrophobicContact CB-CD1 4.24Å; I232-L266 HydrophobicContact CG2-CD1 4.03Å; C264-L266 PolarHBondContact O-N 3.39Å; L266-E270 HydrophobicContact CB-CB 4.12Å; L266-E270 HydrophobicContact CD1-CB 4.27Å; L266-E270 HydrophobicContact CD2-CB 4.2Å; L266-E270 HydrophobicContact CG-CB 4.43Å; L266-M271 HydrophobicContact CB-CE 4.03Å; L266-F274 HydrophobicContact CD1-CD2 4.15Å; L266-F274 HydrophobicContact CD1-CE2 3.89Å; L266-N291 PolarHBondContact O-N 3.27Å; L266-N291 VanDerWaalsContact O-N 3.11Å
267G89.7Confident93.1Very high0 Ų026.1 Ų26.10%014%0.144CC..  trans-73.2174.2165.700000111.5T269 M271G267-T269 PolarHBondContact O-N 3.16Å; G267-M271 WeakPolarHBondContact O-CB 3.29Å; G267-M271 PolarHBondContact O-N 3.12Å
268A88.9Confident93.1Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-59.8-47.1-17900000111.5E270 M271 R272 P290 S311 F315A268-E270 PolarHBondContact O-N 3.28Å; A268-M271 PolarHBondContact O-N 3.45Å; A268-M271 VanDerWaalsContact O-N 3.1Å; A268-R272 PolarHBondContact O-N 2.92Å; A268-P290 HydrophobicContact CB-CB 4.36Å; A268-P290 HydrophobicContact CB-CG 3.81Å; A268-S311 VanDerWaalsContact CB-CB 3.47Å; A268-F315 WeakPolarHBondContact O-CZ 3.31Å
269T87.3Confident93Very high98 Ų9825.8 Ų25.860%0.60114%0.143SC*.Hα-helixtrans-56.6-46.4-176.9-55.30000112.7G267 M271G267-T269 PolarHBondContact O-N 3.16Å; T269-M271 VanDerWaalsContact C-N 3.34Å; T269-M271 PolarHBondContact O-N 2.98Å
270E88.6Confident92.7Very high45 Ų4532 Ų3221%0.2117%0.171CC..Hα-helixtrans-71.4-28.7179.6-65.579.7-174.500112.9L266 A268 P273 F274L266-E270 HydrophobicContact CB-CB 4.12Å; L266-E270 HydrophobicContact CD1-CB 4.27Å; L266-E270 HydrophobicContact CD2-CB 4.2Å; L266-E270 HydrophobicContact CG-CB 4.43Å; A268-E270 PolarHBondContact O-N 3.28Å; E270-P273 WeakPolarHBondContact O-CD 3.22Å; E270-F274 WeakPolarHBondContact O-CD2 3.39Å; E270-F274 VanDerWaalsContact O-CE2 3.31Å; E270-F274 WeakPolarHBondContact O-CE2 3.5Å
271M91.9Very high92.4Very high3 Ų332.7 Ų32.72%0.01518%0.176CC..Hα-helixtrans-79.7-19.2-175.7-159.8176.3-7000113.2L262 C264 L266 G267 A268 T269 F274 I275 P290L262-M271 HydrophobicContact CB-CG 4.14Å; L262-M271 HydrophobicContact CB-SD 3.59Å; L262-M271 VanDerWaalsContact CB-SD 3.59Å; L262-M271 HydrophobicContact CD1-CG 4Å; C264-M271 WeakPolarHBondContact O-CE 3.37Å; L266-M271 HydrophobicContact CB-CE 4.03Å; G267-M271 WeakPolarHBondContact O-CB 3.29Å; G267-M271 PolarHBondContact O-N 3.12Å; A268-M271 PolarHBondContact O-N 3.45Å; A268-M271 VanDerWaalsContact O-N 3.1Å; T269-M271 VanDerWaalsContact C-N 3.34Å; T269-M271 PolarHBondContact O-N 2.98Å; M271-F274 PolarHBondContact O-N 2.86Å; M271-I275 HydrophobicContact CG-CG1 4.1Å; M271-I275 PolarHBondContact O-N 3.47Å; M271-P290 HydrophobicContact CE-CB 4Å; M271-P290 HydrophobicContact SD-CB 4.3Å
272R93.8Very high92.2Very high112 Ų11233.1 Ų33.142%0.42318%0.178SC..Hα-helixtrans-48.9-56.7-177.4-168.1175.3177.8-139.23.1114.8A268 F274 I275 E276 F315 D318 L320A268-R272 PolarHBondContact O-N 2.92Å; R272-F274 PolarHBondContact O-N 3.15Å; R272-I275 PolarHBondContact O-N 3.08Å; R272-E276 PolarHBondContact O-N 2.78Å; R272-E276 VanDerWaalsContact O-N 3.08Å; R272-F315 HydrophobicContact CB-CE1 3.48Å; R272-F315 VanDerWaalsContact CB-CE1 3.48Å; R272-F315 HydrophobicContact CB-CE2 4.38Å; R272-F315 HydrophobicContact CB-CZ 3.35Å; R272-F315 HydrophobicContact CG-CD1 4.12Å; R272-F315 HydrophobicContact CG-CE1 3.45Å; R272-F315 VanDerWaalsContact CG-CE1 3.45Å; R272-F315 HydrophobicContact CG-CZ 3.75Å; R272-D318 IonicContact CZ-OD2 3.48Å; R272-D318 IonicContact NE-OD2 3.32Å; R272-D318 IonicContact NH2-OD2 2.6Å; R272-D318 PolarHBondContact NH2-OD2 3.27Å; R272-L320 HydrophobicContact CG-CD1 4.25Å
273P93.6Very high92Very high69 Ų6936.6 Ų36.645%0.44820%0.202SC..Hα-helixtrans-61.6-30.8-176.524.5-35.6000112.6E270 A277E270-P273 WeakPolarHBondContact O-CD 3.22Å; P273-A277 PolarHBondContact O-N 3.25Å; P273-A277 VanDerWaalsContact O-N 3.12Å
274F94.4Very high91.9Very high37 Ų3737 Ų3716%0.16221%0.205CC..Hα-helixtrans-77.8-38.2-178.5-50.3-49.7000112I232 G237 L262 L266 E270 M271 R272 E276 A277 I278I232-F274 HydrophobicContact CG2-CD2 4.1Å; I232-F274 HydrophobicContact CG2-CE2 4.04Å; G237-F274 VanDerWaalsContact CA-CZ 3.49Å; L262-F274 HydrophobicContact CD1-CB 3.64Å; L266-F274 HydrophobicContact CD1-CD2 4.15Å; L266-F274 HydrophobicContact CD1-CE2 3.89Å; E270-F274 WeakPolarHBondContact O-CD2 3.39Å; E270-F274 VanDerWaalsContact O-CE2 3.31Å; E270-F274 WeakPolarHBondContact O-CE2 3.5Å; M271-F274 PolarHBondContact O-N 2.86Å; R272-F274 PolarHBondContact O-N 3.15Å; F274-E276 VanDerWaalsContact C-N 3.31Å; F274-A277 PolarHBondContact O-N 3.23Å; F274-I278 WeakPolarHBondContact O-CB 3.46Å; F274-I278 WeakPolarHBondContact O-CG1 3.46Å; F274-I278 PolarHBondContact O-N 3.22Å
275I95.7Very high92.2Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-62.2-40.9172-75.1-65.5000111L262 M271 R272 I278 G279 I286 C288 F315 L320 V321L262-I275 HydrophobicContact CB-CD1 3.91Å; L262-I275 HydrophobicContact CD1-CD1 4.15Å; L262-I275 HydrophobicContact CD1-CG1 4.35Å; L262-I275 HydrophobicContact CG-CD1 4.04Å; M271-I275 HydrophobicContact CG-CG1 4.1Å; M271-I275 PolarHBondContact O-N 3.47Å; R272-I275 PolarHBondContact O-N 3.08Å; I275-I278 PolarHBondContact O-N 2.9Å; I275-G279 PolarHBondContact O-N 3.44Å; I275-I286 HydrophobicContact CD1-CG2 4.12Å; I275-I286 HydrophobicContact CG2-CG2 4.01Å; I275-C288 HydrophobicContact CD1-CB 3.9Å; I275-C288 HydrophobicContact CG1-CB 4.27Å; I275-F315 HydrophobicContact CG1-CE2 4.49Å; I275-L320 HydrophobicContact CG2-CB 4.16Å; I275-V321 HydrophobicContact CG2-CG1 4.25Å
276E94.3Very high92.7Very high75 Ų7534.6 Ų34.635%0.3519%0.187SC..Hα-helixtrans-62.7-45.7176.3-171-175.5174.100111.8R272 F274 I278 G279 K280 L320R272-E276 PolarHBondContact O-N 2.78Å; R272-E276 VanDerWaalsContact O-N 3.08Å; F274-E276 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 3.41Å; E276-G279 PolarHBondContact O-N 2.93Å; E276-K280 HydrophobicContact CG-CD 4.5Å; E276-K280 WeakPolarHBondContact O-CG 3.49Å; E276-K280 PolarHBondContact O-N 3.24Å; E276-K280 VanDerWaalsContact OE1-CE 3.28Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 3.24Å; E276-K280 PolarHBondContact OE1-NZ 3.15Å; E276-L320 HydrophobicContact CB-CD2 4.24Å; E276-L320 HydrophobicContact CG-CD2 4.08Å
277A93.2Very high93.2Very high32 Ų3234.2 Ų34.226%0.26419%0.185SC..Hα-helixtrans-62-42.4177.900000112.6P273 F274 K280 S281P273-A277 PolarHBondContact O-N 3.25Å; P273-A277 VanDerWaalsContact O-N 3.12Å; F274-A277 PolarHBondContact O-N 3.23Å; A277-K280 PolarHBondContact O-N 3.28Å; A277-S281 WeakPolarHBondContact O-CB 3.23Å; A277-S281 PolarHBondContact O-N 3.18Å; A277-S281 PolarHBondContact O-OG 3.03Å
278I94.9Very high93.6Very high0 Ų034.2 Ų34.20%019%0.185CC..Hα-helixtrans-64.7-45174.3-72171000110.4V249 I260 L262 F274 I275 E276 K280 S281 T282 I286V249-I278 HydrophobicContact CG2-CB 4.33Å; V249-I278 HydrophobicContact CG2-CG1 4.12Å; V249-I278 HydrophobicContact CG2-CG2 3.78Å; I260-I278 HydrophobicContact CG2-CG2 4.28Å; L262-I278 HydrophobicContact CD1-CD1 3.72Å; L262-I278 HydrophobicContact CD2-CD1 3.71Å; L262-I278 HydrophobicContact CG-CD1 3.56Å; F274-I278 WeakPolarHBondContact O-CB 3.46Å; F274-I278 WeakPolarHBondContact O-CG1 3.46Å; F274-I278 PolarHBondContact O-N 3.22Å; I275-I278 PolarHBondContact O-N 2.9Å; E276-I278 PolarHBondContact O-N 3.41Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.46Å; I278-S281 WeakPolarHBondContact O-CA 3.43Å; I278-S281 PolarHBondContact O-N 3.29Å; I278-T282 WeakPolarHBondContact O-CG2 3.4Å; I278-T282 PolarHBondContact O-N 2.85Å; I278-I286 HydrophobicContact CG2-CD1 3.82Å
279G93.6Very high94Very high9 Ų934.3 Ų34.39%0.09319%0.185CC..Hα-helixtrans-58.6-36.4178.300000113.3I275 E276 S281 R348I275-G279 PolarHBondContact O-N 3.44Å; E276-G279 PolarHBondContact O-N 2.93Å; G279-S281 VanDerWaalsContact C-N 3.26Å; G279-S281 PolarHBondContact O-N 3.32Å; G279-R348 PolarHBondContact O-NH2 2.9Å
280K92.1Very high94.4Very high131 Ų13129.6 Ų29.657%0.5716%0.157SC*.Hα-helixtrans-73.1-21.4174-69.7173.4-174.8169.40112.8E276 A277 I278E276-K280 HydrophobicContact CG-CD 4.5Å; E276-K280 WeakPolarHBondContact O-CG 3.49Å; E276-K280 PolarHBondContact O-N 3.24Å; E276-K280 VanDerWaalsContact OE1-CE 3.28Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 3.24Å; E276-K280 PolarHBondContact OE1-NZ 3.15Å; A277-K280 PolarHBondContact O-N 3.28Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.46Å
281S91.3Very high94.6Very high15 Ų1527.6 Ų27.611%0.10515%0.147CC..THydrogen-bonded Turntrans-97-0.1-171-60.50000115.5A277 I278 G279 R368A277-S281 WeakPolarHBondContact O-CB 3.23Å; A277-S281 PolarHBondContact O-N 3.18Å; A277-S281 PolarHBondContact O-OG 3.03Å; I278-S281 WeakPolarHBondContact O-CA 3.43Å; I278-S281 PolarHBondContact O-N 3.29Å; G279-S281 VanDerWaalsContact C-N 3.26Å; G279-S281 PolarHBondContact O-N 3.32Å; S281-R368 PolarHBondContact OG-NH2 3.12Å
282T93.3Very high94.5Very high9 Ų927.5 Ų27.56%0.05515%0.147CC..  trans-144.4146.8-173.8-169.50000113.9I260 I278 A284 I286 R348I260-T282 HydrophobicContact CG2-CG2 3.58Å; I278-T282 WeakPolarHBondContact O-CG2 3.4Å; I278-T282 PolarHBondContact O-N 2.85Å; T282-A284 HydrophobicContact CG2-CB 4.44Å; T282-A284 WeakPolarHBondContact OG1-CB 3.42Å; T282-A284 PolarHBondContact OG1-N 3.46Å; T282-A284 VanDerWaalsContact OG1-N 3.13Å; T282-I286 HydrophobicContact CG2-CD1 3.71Å; T282-R348 PolarHBondContact O-NH2 3.02Å
283S91.8Very high94Very high73 Ų7322.6 Ų22.651%0.5113%0.131SC..SBendtrans-88.3-5.8169.660.40000113.2P350 A351S283-P350 VanDerWaalsContact O-CB 3.26Å; S283-P350 WeakPolarHBondContact O-CB 3.4Å; S283-A351 WeakPolarHBondContact CB-O 3.43Å
284A95Very high93.3Very high8 Ų823.6 Ų23.67%0.06613%0.132CC..SBendtrans-70.8162.3172.200000111.4I260 T282 R348I260-A284 HydrophobicContact CG2-CB 3.94Å; T282-A284 HydrophobicContact CG2-CB 4.44Å; T282-A284 WeakPolarHBondContact OG1-CB 3.42Å; T282-A284 PolarHBondContact OG1-N 3.46Å; T282-A284 VanDerWaalsContact OG1-N 3.13Å; A284-R348 PolarHBondContact O-NH1 2.67Å
285F97.5Very high92.2Very high3 Ų325.1 Ų25.11%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-71.2154.8170.1-63.9-69.2000110.5R27 L30 Q31 L258 C259 I260 N322 P350R27-F285 HydrophobicContact CB-CE2 4.34Å; R27-F285 HydrophobicContact CG-CE2 3.95Å; R27-F285 HydrophobicContact CG-CZ 4.03Å; L30-F285 HydrophobicContact CB-CD1 4.14Å; L30-F285 HydrophobicContact CB-CD2 4.29Å; L30-F285 HydrophobicContact CB-CE1 4.06Å; L30-F285 HydrophobicContact CB-CE2 4.24Å; L30-F285 HydrophobicContact CB-CG 4.24Å; L30-F285 HydrophobicContact CB-CZ 4.11Å; L30-F285 HydrophobicContact CD1-CB 4.34Å; L30-F285 HydrophobicContact CD1-CD2 3.7Å; L30-F285 HydrophobicContact CD1-CE2 4.15Å; L30-F285 HydrophobicContact CD1-CG 4.03Å; Q31-F285 HydrophobicContact CG-CE1 4.11Å; Q31-F285 HydrophobicContact CG-CZ 3.95Å; L258-F285 HydrophobicContact CD1-CD2 3.76Å; L258-F285 HydrophobicContact CD1-CE2 3.76Å; L258-F285 HydrophobicContact CG-CD2 4.13Å; L258-F285 WeakPolarHBondContact O-CD2 3.48Å; L258-F285 PolarHBondContact O-N 3.06Å; C259-F285 CarbonylContact C-O 3.51Å; C259-F285 VanDerWaalsContact CA-O 3.22Å; C259-F285 WeakPolarHBondContact CA-O 3.32Å; I260-F285 PolarHBondContact N-O 2.94Å; F285-N322 WeakPolarHBondContact CA-OD1 3.44Å; F285-N322 HydrophobicContact CB-CB 3.87Å; F285-N322 HydrophobicContact CD1-CB 4.15Å; F285-N322 WeakPolarHBondContact CD1-ND2 3.34Å; F285-N322 HydrophobicContact CG-CB 4.39Å; F285-P350 HydrophobicContact CD1-CG 3.6Å; F285-P350 HydrophobicContact CE1-CG 3.69Å; F285-P350 HydrophobicContact CG-CG 4.46Å
286I97.9Very high90.9Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-102128.9-178.8-62.2-56.1000111.7I260 I275 I278 T282 L320 V321 N322 I323I260-I286 HydrophobicContact CG2-CD1 4.05Å; I260-I286 VanDerWaalsContact O-CA 3.32Å; I260-I286 WeakPolarHBondContact O-CA 3.28Å; I260-I286 VanDerWaalsContact O-CD1 3.31Å; I260-I286 WeakPolarHBondContact O-CD1 3.07Å; I275-I286 HydrophobicContact CD1-CG2 4.12Å; I275-I286 HydrophobicContact CG2-CG2 4.01Å; I278-I286 HydrophobicContact CG2-CD1 3.82Å; T282-I286 HydrophobicContact CG2-CD1 3.71Å; I286-L320 WeakPolarHBondContact CB-O 3.31Å; I286-V321 HydrophobicContact CG2-CG1 4.24Å; I286-N322 PolarHBondContact N-OD1 3.24Å; I286-N322 WeakPolarHBondContact O-CA 3.32Å; I286-N322 WeakPolarHBondContact O-CB 3.22Å; I286-N322 PolarHBondContact O-N 2.65Å; I286-I323 PolarHBondContact O-N 3.42Å
287I98.3Very high89.2Confident0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-111.8130.9172.8-175.2164.4000110.1L37 F227 C259 I260 G261 L262 Y289 I323L37-I287 HydrophobicContact CD2-CD1 4.16Å; F227-I287 HydrophobicContact CD2-CD1 3.72Å; F227-I287 HydrophobicContact CE2-CD1 4.08Å; C259-I287 HydrophobicContact CB-CB 4.34Å; C259-I287 HydrophobicContact CB-CG2 4.17Å; I260-I287 PolarHBondContact O-N 2.94Å; G261-I287 WeakPolarHBondContact CA-O 3.45Å; L262-I287 PolarHBondContact N-O 3.28Å; L262-I287 VanDerWaalsContact N-O 3.14Å; I287-Y289 HydrophobicContact CD1-CD1 4.29Å; I287-Y289 HydrophobicContact CD1-CE1 4.04Å; I287-Y289 HydrophobicContact CG1-CD1 3.81Å; I287-Y289 HydrophobicContact CG1-CE1 3.89Å; I287-I323 WeakPolarHBondContact CA-O 3.16Å; I287-I323 HydrophobicContact CB-CB 4.03Å; I287-I323 HydrophobicContact CD1-CB 4.18Å; I287-I323 HydrophobicContact CD1-CD1 4.25Å; I287-I323 HydrophobicContact CD1-CG2 3.85Å; I287-I323 HydrophobicContact CG1-CB 3.81Å; I287-I323 HydrophobicContact CG1-CG2 3.81Å
288C97.8Very high87.2Confident0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-139.4121.7-179.8-1760000110.4L262 I275 V321 I323 V324 G325L262-C288 WeakPolarHBondContact O-CA 3.22Å; I275-C288 HydrophobicContact CD1-CB 3.9Å; I275-C288 HydrophobicContact CG1-CB 4.27Å; C288-V321 HydrophobicContact CB-CG1 3.85Å; C288-I323 PolarHBondContact N-O 3.5Å; C288-V324 CarbonylContact O-C 3.58Å; C288-V324 VanDerWaalsContact O-CA 3.27Å; C288-V324 WeakPolarHBondContact O-CA 3.49Å; C288-G325 PolarHBondContact O-N 3.03Å; C288-G325 VanDerWaalsContact O-N 3.08Å
289Y97.4Very high85.3Confident1 Ų135.1 Ų35.10%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-141.282.4179.751.7-73.1000110.4L37 E198 S229 L262 N263 C264 I287 G325 C327L37-Y289 HydrophobicContact CD2-CD1 3.83Å; L37-Y289 HydrophobicContact CD2-CD2 3.97Å; L37-Y289 HydrophobicContact CD2-CE1 4.02Å; L37-Y289 HydrophobicContact CD2-CE2 4.12Å; L37-Y289 HydrophobicContact CD2-CG 3.83Å; E198-Y289 VanDerWaalsContact CB-OH 3.22Å; E198-Y289 WeakPolarHBondContact CB-OH 3.45Å; E198-Y289 PolarHBondContact OE2-OH 3.05Å; S229-Y289 WeakPolarHBondContact CB-OH 3.48Å; S229-Y289 WeakPolarHBondContact OG-CE1 3.32Å; S229-Y289 PolarHBondContact OG-OH 3.02Å; L262-Y289 PolarHBondContact O-N 3.44Å; L262-Y289 VanDerWaalsContact O-N 3.16Å; N263-Y289 WeakPolarHBondContact CA-O 3.42Å; N263-Y289 HydrophobicContact CB-CD1 3.75Å; N263-Y289 HydrophobicContact CB-CD2 3.35Å; N263-Y289 HydrophobicContact CB-CE1 3.55Å; N263-Y289 HydrophobicContact CB-CE2 3.15Å; N263-Y289 HydrophobicContact CB-CG 3.64Å; N263-Y289 WeakPolarHBondContact CB-O 3.36Å; N263-Y289 VanDerWaalsContact CG-CE2 3.47Å; N263-Y289 VanDerWaalsContact CG-CZ 3.47Å; N263-Y289 WeakPolarHBondContact ND2-CE2 3.43Å; C264-Y289 PolarHBondContact N-O 3.12Å; I287-Y289 HydrophobicContact CD1-CD1 4.29Å; I287-Y289 HydrophobicContact CD1-CE1 4.04Å; I287-Y289 HydrophobicContact CG1-CD1 3.81Å; I287-Y289 HydrophobicContact CG1-CE1 3.89Å; Y289-G325 WeakPolarHBondContact CA-O 3.27Å; Y289-G325 VanDerWaalsContact CB-C 3.41Å; Y289-C327 HydrophobicContact CD2-CB 4.25Å; Y289-C327 WeakPolarHBondContact O-CB 3.45Å
290P95.5Very high84.3Confident0 Ų036 Ų360%022%0.22CC..  trans-73.8172-176.331.6-34.6000112.2A268 M271 L312 C327A268-P290 HydrophobicContact CB-CB 4.36Å; A268-P290 HydrophobicContact CB-CG 3.81Å; M271-P290 HydrophobicContact CE-CB 4Å; M271-P290 HydrophobicContact SD-CB 4.3Å; P290-L312 HydrophobicContact CG-CD2 4.1Å; P290-C327 PolarHBondContact O-N 2.81Å
291N93.4Very high83.9Confident3 Ų333.1 Ų33.12%0.01621%0.206CC..  trans-71.7161.1167.8-72.1-11.8000111.1C264 A265 L266 G293 Y301 C327 C328C264-N291 WeakPolarHBondContact CA-OD1 3.42Å; A265-N291 PolarHBondContact N-ND2 3.27Å; L266-N291 PolarHBondContact O-N 3.27Å; L266-N291 VanDerWaalsContact O-N 3.11Å; N291-G293 VanDerWaalsContact CB-O 3.25Å; N291-G293 WeakPolarHBondContact CB-O 3.47Å; N291-G293 PolarHBondContact O-N 3.44Å; N291-Y301 HydrophobicContact CB-CD1 4.26Å; N291-Y301 HydrophobicContact CB-CE1 3.85Å; N291-C327 WeakPolarHBondContact OD1-CB 3.29Å; N291-C328 WeakPolarHBondContact CA-O 3.48Å; N291-C328 WeakPolarHBondContact OD1-CB 3.41Å; N291-C328 PolarHBondContact OD1-N 2.91Å
292A89.4Confident83.5Confident0 Ų037.6 Ų37.60%023%0.229CC..SBendtrans-74.763166.800000110.3Y301 E303 C328 T330A292-Y301 WeakPolarHBondContact O-CB 3.09Å; A292-E303 HydrophobicContact CB-CB 4.19Å; A292-E303 WeakPolarHBondContact O-CB 3.44Å; A292-E303 PolarHBondContact O-N 2.89Å; A292-C328 PolarHBondContact N-O 3.31Å; A292-T330 HydrophobicContact CB-CG2 3.99Å
293G83.9Confident83.1Confident9 Ų938.9 Ų38.99%0.09323%0.234CC..SBendtrans86-176.3-175.900000113.6N291 E303N291-G293 VanDerWaalsContact CB-O 3.25Å; N291-G293 WeakPolarHBondContact CB-O 3.47Å; N291-G293 PolarHBondContact O-N 3.44Å; G293-E303 WeakPolarHBondContact CA-OE2 3.42Å; G293-E303 PolarHBondContact N-OE2 3.16Å
294L77.8Confident83.2Confident91 Ų9138.5 Ų38.548%0.47623%0.229SC..SBendtrans-76.4144.2171.3-66.7175.5000109.8N296L294-N296 PolarHBondContact O-N 3.4Å
295P71.3Confident83.2Confident69 Ų6939.2 Ų39.245%0.44823%0.232SC..  trans-61.7134.5177.926.1-33.6000110.3G300 Y301P295-G300 CarbonylContact C-O 3.58Å; P295-G300 WeakPolarHBondContact CA-O 3.26Å; P295-Y301 HydrophobicContact CB-CE1 4.21Å
296N69.8Low83Confident36 Ų3645.3 Ų45.319%0.19326%0.261CS..  trans-76.6175.8175.769.923.9000111.4L294 F298 G299 G300 D302L294-N296 PolarHBondContact O-N 3.4Å; N296-F298 PolarHBondContact O-N 3.15Å; N296-F298 WeakPolarHBondContact OD1-CA 3.14Å; N296-F298 WeakPolarHBondContact OD1-CB 3.45Å; N296-F298 PolarHBondContact OD1-N 3.09Å; N296-G299 PolarHBondContact O-N 2.87Å; N296-G299 PolarHBondContact OD1-N 2.96Å; N296-G300 PolarHBondContact N-O 2.86Å; N296-G300 WeakPolarHBondContact OD1-CA 3.37Å; N296-G300 PolarHBondContact OD1-N 3.26Å; N296-G300 PolarHBondContact OD1-O 2.96Å; N296-D302 VanDerWaalsContact CB-OD2 3.23Å; N296-D302 WeakPolarHBondContact CB-OD2 3.46Å; N296-D302 VanDerWaalsContact ND2-CG 3.29Å; N296-D302 PolarHBondContact ND2-OD1 2.94Å; N296-D302 PolarHBondContact ND2-OD2 3.39Å
297T57.7Low82.7Confident126 Ų12648.8 Ų48.877%0.77328%0.282SS*.THydrogen-bonded Turntrans-60.8-16.3-178.743.50000114.1
298F51.9Low82.4Confident99 Ų9948.8 Ų48.843%0.43428%0.282SS..THydrogen-bonded Turntrans-98.64.1176.4-60.1-76.7000113.5N296 G300 D1077 S1080N296-F298 PolarHBondContact O-N 3.15Å; N296-F298 WeakPolarHBondContact OD1-CA 3.14Å; N296-F298 WeakPolarHBondContact OD1-CB 3.45Å; N296-F298 PolarHBondContact OD1-N 3.09Å; F298-G300 PolarHBondContact O-N 3.46Å; F298-D1077 HydrophobicContact CE2-CB 3.78Å; F298-S1080 VanDerWaalsContact CZ-CB 3.43Å
299G54.8Low82.3Confident55 Ų5549.1 Ų49.157%0.56728%0.284SS*.SBendtrans74.312.1-177.300000114.3N296N296-G299 PolarHBondContact O-N 2.87Å; N296-G299 PolarHBondContact OD1-N 2.96Å
300G72.8Confident82.1Confident28 Ų2851.7 Ų51.729%0.28930%0.303SS..  trans-90.4176.9171.700000112.7P295 N296 F298P295-G300 CarbonylContact C-O 3.58Å; P295-G300 WeakPolarHBondContact CA-O 3.26Å; N296-G300 PolarHBondContact N-O 2.86Å; N296-G300 WeakPolarHBondContact OD1-CA 3.37Å; N296-G300 PolarHBondContact OD1-N 3.26Å; N296-G300 PolarHBondContact OD1-O 2.96Å; F298-G300 PolarHBondContact O-N 3.46Å
301Y83.1Confident82Confident70 Ų7052.5 Ų52.528%0.27531%0.309SS..  trans-126.3121.5-179.1-68.3-87.8000109.1N291 A292 P295 C328N291-Y301 HydrophobicContact CB-CD1 4.26Å; N291-Y301 HydrophobicContact CB-CE1 3.85Å; A292-Y301 WeakPolarHBondContact O-CB 3.09Å; P295-Y301 HydrophobicContact CB-CE1 4.21Å; Y301-C328 HydrophobicContact CE1-CB 3.96Å; Y301-C328 HydrophobicContact CE2-CB 3.63Å; Y301-C328 WeakPolarHBondContact OH-CB 3.49Å
302D82.3Confident82.1Confident110 Ų11052.4 Ų52.459%0.58831%0.308SS*.  trans-98.2-9.3-170.1-61.4-37.9000113.5N296 T304N296-D302 VanDerWaalsContact CB-OD2 3.23Å; N296-D302 WeakPolarHBondContact CB-OD2 3.46Å; N296-D302 VanDerWaalsContact ND2-CG 3.29Å; N296-D302 PolarHBondContact ND2-OD1 2.94Å; N296-D302 PolarHBondContact ND2-OD2 3.39Å; D302-T304 PolarHBondContact O-N 3.08Å
303E86.7Confident82.4Confident36 Ų3656 Ų5617%0.16833%0.325CS..  trans-70.5129-179-156.5-179.8131.300110.5A292 G293 V307 T308 H334A292-E303 HydrophobicContact CB-CB 4.19Å; A292-E303 WeakPolarHBondContact O-CB 3.44Å; A292-E303 PolarHBondContact O-N 2.89Å; G293-E303 WeakPolarHBondContact CA-OE2 3.42Å; G293-E303 PolarHBondContact N-OE2 3.16Å; E303-V307 HydrophobicContact CG-CB 3.77Å; E303-V307 HydrophobicContact CG-CG1 3.52Å; E303-T308 VanDerWaalsContact CD-OG1 3.28Å; E303-T308 WeakPolarHBondContact OE1-CA 3.4Å; E303-T308 WeakPolarHBondContact OE1-CB 3.35Å; E303-T308 PolarHBondContact OE1-N 3.14Å; E303-T308 VanDerWaalsContact OE1-N 3.13Å; E303-T308 PolarHBondContact OE1-OG1 3.04Å; E303-H334 PolarHBondContact O-NE2 3.38Å; E303-H334 VanDerWaalsContact O-NE2 3.16Å
304T93Very high82.9Confident65 Ų6559.5 Ų59.540%0.39934%0.341SS..  trans-82.2158.3-176.966.60000111.8D302 Q306 V307 T308D302-T304 PolarHBondContact O-N 3.08Å; T304-Q306 PolarHBondContact O-N 3.16Å; T304-Q306 VanDerWaalsContact O-N 3.08Å; T304-V307 PolarHBondContact O-N 2.7Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.38Å; T304-T308 PolarHBondContact O-N 2.94Å; T304-T308 VanDerWaalsContact O-N 3.16Å; T304-T308 PolarHBondContact O-OG1 3.37Å
305P94.6Very high83.7Confident22 Ų2255.3 Ų55.314%0.14332%0.319CS..Hα-helixtrans-48.8-38.9175.8-3237.2000114.8A309 H334 A337P305-A309 WeakPolarHBondContact O-CB 3.37Å; P305-A309 PolarHBondContact O-N 3.08Å; P305-H334 VanDerWaalsContact CA-CD2 3.43Å; P305-H334 WeakPolarHBondContact CA-CD2 3.4Å; P305-A337 HydrophobicContact CB-CB 4.01Å
306Q93.9Very high84.8Confident132 Ų13252 Ų5262%0.61730%0.298SS*.Hα-helixtrans-71.6-38-178.1-70.571.227.800112.2T304 S310T304-Q306 PolarHBondContact O-N 3.16Å; T304-Q306 VanDerWaalsContact O-N 3.08Å; Q306-S310 WeakPolarHBondContact O-CB 3.35Å; Q306-S310 PolarHBondContact O-N 3.06Å
307V92Very high86Confident73 Ų7355 Ų5544%0.44232%0.318SS..Hα-helixtrans-67.9-50.3179.5175.70000109.6E303 T304 A309 S310 S311E303-V307 HydrophobicContact CG-CB 3.77Å; E303-V307 HydrophobicContact CG-CG1 3.52Å; T304-V307 PolarHBondContact O-N 2.7Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.38Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.82Å; V307-S310 WeakPolarHBondContact O-CB 3.12Å; V307-S310 PolarHBondContact O-N 2.84Å; V307-S310 VanDerWaalsContact O-N 3.14Å; V307-S311 PolarHBondContact O-N 3.13Å; V307-S311 PolarHBondContact O-OG 2.91Å
308T92.2Very high87.8Confident0 Ų053 Ų530%030%0.302CS..Hα-helixtrans-61.6-41.8178.5-52.50000112E303 T304 S311 L312 I338E303-T308 VanDerWaalsContact CD-OG1 3.28Å; E303-T308 WeakPolarHBondContact OE1-CA 3.4Å; E303-T308 WeakPolarHBondContact OE1-CB 3.35Å; E303-T308 PolarHBondContact OE1-N 3.14Å; E303-T308 VanDerWaalsContact OE1-N 3.13Å; E303-T308 PolarHBondContact OE1-OG1 3.04Å; T304-T308 PolarHBondContact O-N 2.94Å; T304-T308 VanDerWaalsContact O-N 3.16Å; T304-T308 PolarHBondContact O-OG1 3.37Å; T308-S311 PolarHBondContact O-N 2.87Å; T308-L312 HydrophobicContact CG2-CD1 4.17Å; T308-L312 WeakPolarHBondContact O-CG 3.44Å; T308-L312 PolarHBondContact O-N 2.94Å; T308-L312 VanDerWaalsContact O-N 3.09Å; T308-I338 HydrophobicContact CG2-CD1 4.21Å
309A94.6Very high89.8Confident6 Ų649.5 Ų49.55%0.0529%0.294CS..Hα-helixtrans-64.3-39.9176.200000112.4P305 V307 L312 Q313 A337 I338 A341P305-A309 WeakPolarHBondContact O-CB 3.37Å; P305-A309 PolarHBondContact O-N 3.08Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.82Å; A309-L312 PolarHBondContact O-N 3.43Å; A309-Q313 VanDerWaalsContact O-CB 3.24Å; A309-Q313 WeakPolarHBondContact O-CB 3.32Å; A309-Q313 PolarHBondContact O-N 3.01Å; A309-A337 HydrophobicContact CB-CB 3.76Å; A309-I338 HydrophobicContact CB-CG1 4.12Å; A309-A341 HydrophobicContact CB-CB 4.2Å
310S94.1Very high91.8Very high56 Ų5648 Ų4839%0.39227%0.273SS..Hα-helixtrans-61.8-48.1176.9-169.20000111.2Q306 V307 L312 Q313 D314Q306-S310 WeakPolarHBondContact O-CB 3.35Å; Q306-S310 PolarHBondContact O-N 3.06Å; V307-S310 WeakPolarHBondContact O-CB 3.12Å; V307-S310 PolarHBondContact O-N 2.84Å; V307-S310 VanDerWaalsContact O-N 3.14Å; S310-L312 PolarHBondContact O-N 3.19Å; S310-Q313 WeakPolarHBondContact O-CB 3.46Å; S310-Q313 PolarHBondContact O-N 3.38Å; S310-D314 PolarHBondContact O-N 3.05Å
311S92.9Very high93Very high17 Ų1746.7 Ų46.712%0.11926%0.26CS..Hα-helixtrans-64.3-39.9-179.9-59.10000112.6A268 V307 T308 Q313 D314 F315A268-S311 VanDerWaalsContact CB-CB 3.47Å; V307-S311 PolarHBondContact O-N 3.13Å; V307-S311 PolarHBondContact O-OG 2.91Å; T308-S311 PolarHBondContact O-N 2.87Å; S311-Q313 VanDerWaalsContact C-N 3.34Å; S311-D314 PolarHBondContact O-N 2.86Å; S311-F315 WeakPolarHBondContact O-CD1 3.38Å; S311-F315 PolarHBondContact O-N 3.43Å
312L94.8Very high93.7Very high0 Ų043.4 Ų43.40%025%0.246CC..Hα-helixtrans-72.7-27.9175.5-71.3173.6000112.8P290 T308 A309 S310 F315 A316 V324 I338P290-L312 HydrophobicContact CG-CD2 4.1Å; T308-L312 HydrophobicContact CG2-CD1 4.17Å; T308-L312 WeakPolarHBondContact O-CG 3.44Å; T308-L312 PolarHBondContact O-N 2.94Å; T308-L312 VanDerWaalsContact O-N 3.09Å; A309-L312 PolarHBondContact O-N 3.43Å; S310-L312 PolarHBondContact O-N 3.19Å; L312-F315 HydrophobicContact CD2-CD2 4.36Å; L312-F315 PolarHBondContact O-N 2.96Å; L312-A316 PolarHBondContact O-N 3.26Å; L312-A316 VanDerWaalsContact O-N 3.08Å; L312-V324 HydrophobicContact CD1-CB 4.45Å; L312-V324 HydrophobicContact CD2-CG1 4.32Å; L312-I338 HydrophobicContact CD1-CD1 3.69Å; L312-I338 HydrophobicContact CD1-CG1 3.93Å; L312-I338 HydrophobicContact CD1-CG2 4.21Å
313Q95.4Very high94.5Very high75 Ų7538.1 Ų38.135%0.3522%0.218SC..Hα-helixtrans-64.6-42.6170.7-173.4175.331.800110.9A309 S310 S311 F315 A316 V317 A341A309-Q313 VanDerWaalsContact O-CB 3.24Å; A309-Q313 WeakPolarHBondContact O-CB 3.32Å; A309-Q313 PolarHBondContact O-N 3.01Å; S310-Q313 WeakPolarHBondContact O-CB 3.46Å; S310-Q313 PolarHBondContact O-N 3.38Å; S311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-F315 VanDerWaalsContact C-N 3.27Å; Q313-F315 PolarHBondContact O-N 3.18Å; Q313-A316 WeakPolarHBondContact O-CB 3.46Å; Q313-A316 PolarHBondContact O-N 3.09Å; Q313-A316 VanDerWaalsContact O-N 3.09Å; Q313-V317 HydrophobicContact CG-CG2 4.31Å; Q313-V317 WeakPolarHBondContact O-CG2 3.49Å; Q313-V317 PolarHBondContact O-N 3.47Å; Q313-A341 HydrophobicContact CB-CB 4.08Å; Q313-A341 HydrophobicContact CG-CB 4.35Å; Q313-A341 PolarHBondContact NE2-O 2.89Å
314D95.1Very high95Very high83 Ų8336.4 Ų36.444%0.44421%0.21SC..Hα-helixtrans-58.9-41.7175.8-65.3-25.4000111S310 S311 A316 V317 D318S310-D314 PolarHBondContact O-N 3.05Å; S311-D314 PolarHBondContact O-N 2.86Å; D314-A316 VanDerWaalsContact C-N 3.3Å; D314-A316 PolarHBondContact O-N 3.42Å; D314-V317 PolarHBondContact O-N 3.07Å; D314-D318 WeakPolarHBondContact O-CB 3.39Å; D314-D318 VanDerWaalsContact O-CG 3.31Å; D314-D318 PolarHBondContact O-N 2.78Å
315F95.4Very high95.2Very high3 Ų333.3 Ų33.31%0.01319%0.191CC..Hα-helixtrans-62.8-39.3176.4-74.326.9000112A268 R272 I275 S311 L312 Q313 G319 L320 V321A268-F315 WeakPolarHBondContact O-CZ 3.31Å; R272-F315 HydrophobicContact CB-CE1 3.48Å; R272-F315 VanDerWaalsContact CB-CE1 3.48Å; R272-F315 HydrophobicContact CB-CE2 4.38Å; R272-F315 HydrophobicContact CB-CZ 3.35Å; R272-F315 HydrophobicContact CG-CD1 4.12Å; R272-F315 HydrophobicContact CG-CE1 3.45Å; R272-F315 VanDerWaalsContact CG-CE1 3.45Å; R272-F315 HydrophobicContact CG-CZ 3.75Å; I275-F315 HydrophobicContact CG1-CE2 4.49Å; S311-F315 WeakPolarHBondContact O-CD1 3.38Å; S311-F315 PolarHBondContact O-N 3.43Å; L312-F315 HydrophobicContact CD2-CD2 4.36Å; L312-F315 PolarHBondContact O-N 2.96Å; Q313-F315 VanDerWaalsContact C-N 3.27Å; Q313-F315 PolarHBondContact O-N 3.18Å; F315-G319 PolarHBondContact O-N 3.47Å; F315-L320 HydrophobicContact CB-CB 4.43Å; F315-L320 HydrophobicContact CG-CD1 4.46Å; F315-L320 WeakPolarHBondContact O-CB 3.49Å; F315-L320 PolarHBondContact O-N 2.98Å; F315-V321 HydrophobicContact CB-CG1 4.15Å; F315-V321 HydrophobicContact CB-CG2 4.08Å; F315-V321 HydrophobicContact CD2-CG1 4.09Å
316A94.5Very high95.3Very high1 Ų132.3 Ų32.31%0.00819%0.185CC..Hα-helixtrans-69.1-41.317800000111.7I34 L312 Q313 D314 G319 V321 V342 C345I34-A316 HydrophobicContact CD1-CB 3.4Å; L312-A316 PolarHBondContact O-N 3.26Å; L312-A316 VanDerWaalsContact O-N 3.08Å; Q313-A316 WeakPolarHBondContact O-CB 3.46Å; Q313-A316 PolarHBondContact O-N 3.09Å; Q313-A316 VanDerWaalsContact O-N 3.09Å; D314-A316 VanDerWaalsContact C-N 3.3Å; D314-A316 PolarHBondContact O-N 3.42Å; A316-G319 PolarHBondContact O-N 3.47Å; A316-V321 HydrophobicContact CB-CG2 4.23Å; A316-V342 HydrophobicContact CB-CB 4.44Å; A316-V342 HydrophobicContact CB-CG1 4.04Å; A316-C345 HydrophobicContact CB-CB 3.68Å
317V94.9Very high95.3Very high99 Ų9926.9 Ų26.960%0.616%0.162SC*.Hα-helixtrans-65.2-40.8177.1170.20000111.2Q313 D314 G319Q313-V317 HydrophobicContact CG-CG2 4.31Å; Q313-V317 WeakPolarHBondContact O-CG2 3.49Å; Q313-V317 PolarHBondContact O-N 3.47Å; D314-V317 PolarHBondContact O-N 3.07Å; V317-G319 PolarHBondContact O-N 3.35Å
318D94.6Very high95.3Very high82 Ų8225.3 Ų25.344%0.43915%0.153SC..THydrogen-bonded Turntrans-74.6-2.3176.9-69.9-16.4000113.3R272 D314 L320R272-D318 IonicContact CZ-OD2 3.48Å; R272-D318 IonicContact NE-OD2 3.32Å; R272-D318 IonicContact NH2-OD2 2.6Å; R272-D318 PolarHBondContact NH2-OD2 3.27Å; D314-D318 WeakPolarHBondContact O-CB 3.39Å; D314-D318 VanDerWaalsContact O-CG 3.31Å; D314-D318 PolarHBondContact O-N 2.78Å; D318-L320 HydrophobicContact CB-CD1 4.25Å; D318-L320 HydrophobicContact CB-CG 3.98Å
319G95.1Very high95.3Very high27 Ų2725.8 Ų25.828%0.27816%0.158SC..THydrogen-bonded Turntrans68.334.7178.400000113.6F315 A316 V317 R348F315-G319 PolarHBondContact O-N 3.47Å; A316-G319 PolarHBondContact O-N 3.47Å; V317-G319 PolarHBondContact O-N 3.35Å; G319-R348 WeakPolarHBondContact O-CA 3.44Å; G319-R348 WeakPolarHBondContact O-CB 3.5Å; G319-R348 WeakPolarHBondContact O-CG 3.4Å
320L95.9Very high95.3Very high24 Ų2425.5 Ų25.513%0.12616%0.156CC..  trans-90.1-25.6-178.3-61.7-179.6000113.8R272 I275 E276 I286 F315 D318 R348R272-L320 HydrophobicContact CG-CD1 4.25Å; I275-L320 HydrophobicContact CG2-CB 4.16Å; E276-L320 HydrophobicContact CB-CD2 4.24Å; E276-L320 HydrophobicContact CG-CD2 4.08Å; I286-L320 WeakPolarHBondContact CB-O 3.31Å; F315-L320 HydrophobicContact CB-CB 4.43Å; F315-L320 HydrophobicContact CG-CD1 4.46Å; F315-L320 WeakPolarHBondContact O-CB 3.49Å; F315-L320 PolarHBondContact O-N 2.98Å; D318-L320 HydrophobicContact CB-CD1 4.25Å; D318-L320 HydrophobicContact CB-CG 3.98Å; L320-R348 VanDerWaalsContact O-CD 3.22Å; L320-R348 WeakPolarHBondContact O-CD 3.11Å
321V97.6Very high95.4Very high0 Ų023.9 Ų23.90%014%0.144CC..  trans-126.3155.1-168-66.10000113.5I34 I275 I286 C288 F315 A316 V324 R348I34-V321 HydrophobicContact CD1-CG2 4.48Å; I275-V321 HydrophobicContact CG2-CG1 4.25Å; I286-V321 HydrophobicContact CG2-CG1 4.24Å; C288-V321 HydrophobicContact CB-CG1 3.85Å; F315-V321 HydrophobicContact CB-CG1 4.15Å; F315-V321 HydrophobicContact CB-CG2 4.08Å; F315-V321 HydrophobicContact CD2-CG1 4.09Å; A316-V321 HydrophobicContact CB-CG2 4.23Å; V321-V324 HydrophobicContact CB-CG1 4.03Å; V321-V324 HydrophobicContact CG1-CG1 4.47Å; V321-V324 HydrophobicContact CG2-CG1 3.59Å; V321-R348 PolarHBondContact O-N 3.03Å
322N98.2Very high95.7Very high0 Ų024 Ų240%014%0.144CC..SBendtrans-119.5-28.7173-63102.3000112L30 I34 M35 F285 I286 R348L30-N322 HydrophobicContact CD2-CB 4.37Å; I34-N322 WeakPolarHBondContact CA-O 3.26Å; M35-N322 PolarHBondContact N-O 3.35Å; M35-N322 VanDerWaalsContact N-O 3.08Å; F285-N322 WeakPolarHBondContact CA-OD1 3.44Å; F285-N322 HydrophobicContact CB-CB 3.87Å; F285-N322 HydrophobicContact CD1-CB 4.15Å; F285-N322 WeakPolarHBondContact CD1-ND2 3.34Å; F285-N322 HydrophobicContact CG-CB 4.39Å; I286-N322 PolarHBondContact N-OD1 3.24Å; I286-N322 WeakPolarHBondContact O-CA 3.32Å; I286-N322 WeakPolarHBondContact O-CB 3.22Å; I286-N322 PolarHBondContact O-N 2.65Å; N322-R348 PolarHBondContact ND2-O 3.44Å
323I98.4Very high95.8Very high0 Ų026.8 Ų26.80%016%0.164CC..EExtended strand (participates in β ladder)trans-131.1133174.2-53.2-178.6000108.1L30 M35 L37 I96 F227 C259 I286 I287 C288L30-I323 HydrophobicContact CD1-CD1 4.37Å; L30-I323 HydrophobicContact CD2-CD1 3.72Å; L30-I323 HydrophobicContact CD2-CG1 3.36Å; M35-I323 HydrophobicContact CB-CG1 4.34Å; M35-I323 VanDerWaalsContact O-CA 3.29Å; M35-I323 WeakPolarHBondContact O-CA 3.45Å; L37-I323 HydrophobicContact CB-CG2 4.22Å; I96-I323 HydrophobicContact CD1-CD1 4.08Å; F227-I323 HydrophobicContact CD2-CD1 4.37Å; F227-I323 HydrophobicContact CE2-CD1 3.38Å; F227-I323 HydrophobicContact CZ-CD1 3.52Å; C259-I323 HydrophobicContact CB-CD1 4.48Å; C259-I323 VanDerWaalsContact SG-CD1 3.56Å; I286-I323 PolarHBondContact O-N 3.42Å; I287-I323 WeakPolarHBondContact CA-O 3.16Å; I287-I323 HydrophobicContact CB-CB 4.03Å; I287-I323 HydrophobicContact CD1-CB 4.18Å; I287-I323 HydrophobicContact CD1-CD1 4.25Å; I287-I323 HydrophobicContact CD1-CG2 3.85Å; I287-I323 HydrophobicContact CG1-CB 3.81Å; I287-I323 HydrophobicContact CG1-CG2 3.81Å; C288-I323 PolarHBondContact N-O 3.5Å
324V98.3Very high95.9Very high0 Ų023.9 Ų23.90%015%0.15CC..EExtended strand (participates in β ladder)trans-123.6149.9174.2-64.50000110.5I34 M35 V36 L37 C288 L312 V321 I338 V342I34-V324 HydrophobicContact CG2-CG1 4.29Å; I34-V324 HydrophobicContact CG2-CG2 3.96Å; M35-V324 PolarHBondContact O-N 3.43Å; V36-V324 CarbonylContact C-O 3.5Å; V36-V324 VanDerWaalsContact CA-O 3.28Å; V36-V324 WeakPolarHBondContact CA-O 3.36Å; V36-V324 HydrophobicContact CG2-CG2 4.43Å; L37-V324 PolarHBondContact N-O 3.27Å; C288-V324 CarbonylContact O-C 3.58Å; C288-V324 VanDerWaalsContact O-CA 3.27Å; C288-V324 WeakPolarHBondContact O-CA 3.49Å; L312-V324 HydrophobicContact CD1-CB 4.45Å; L312-V324 HydrophobicContact CD2-CG1 4.32Å; V321-V324 HydrophobicContact CB-CG1 4.03Å; V321-V324 HydrophobicContact CG1-CG1 4.47Å; V321-V324 HydrophobicContact CG2-CG1 3.59Å; V324-I338 HydrophobicContact CB-CG2 4.27Å; V324-I338 HydrophobicContact CG2-CG2 3.53Å; V324-V342 HydrophobicContact CG2-CG1 4.02Å; V324-V342 HydrophobicContact CG2-CG2 3.96Å
325G97Very high96.1Very high0 Ų019.9 Ų19.90%013%0.129CC..  trans-162.2-157.7176.500000111.5C288 Y289C288-G325 PolarHBondContact O-N 3.03Å; C288-G325 VanDerWaalsContact O-N 3.08Å; Y289-G325 WeakPolarHBondContact CA-O 3.27Å; Y289-G325 VanDerWaalsContact CB-C 3.41Å
326G95.6Very high96.2Very high1 Ų125.8 Ų25.81%0.0115%0.151CC..  trans-137.8152.8175.100000112.8D38 G39 T330D38-G326 PolarHBondContact O-N 3.4Å; D38-G326 VanDerWaalsContact O-N 3.12Å; G39-G326 WeakPolarHBondContact CA-O 3.24Å; G326-T330 VanDerWaalsContact CA-OG1 3.23Å; G326-T330 WeakPolarHBondContact CA-OG1 3.47Å; G326-T330 PolarHBondContact O-OG1 3.23Å
327C94.7Very high96.4Very high18 Ų1826.6 Ų26.612%0.12216%0.157CC..  trans-111.6-126.2172.8-165.40000110.3G40 C264 Y289 P290 N291 G329 T330G40-C327 WeakPolarHBondContact CA-O 3.27Å; G40-C327 PolarHBondContact N-O 2.98Å; C264-C327 HydrophobicContact CB-CB 4.27Å; C264-C327 VanDerWaalsContact CB-SG 3.57Å; Y289-C327 HydrophobicContact CD2-CB 4.25Å; Y289-C327 WeakPolarHBondContact O-CB 3.45Å; P290-C327 PolarHBondContact O-N 2.81Å; N291-C327 WeakPolarHBondContact OD1-CB 3.29Å; C327-G329 PolarHBondContact O-N 2.73Å; C327-T330 PolarHBondContact N-OG1 2.92Å; C327-T330 PolarHBondContact O-N 2.77Å; C327-T330 PolarHBondContact O-OG1 3.36Å
328C92.7Very high96.5Very high40 Ų4021.9 Ų21.927%0.2713%0.129SC..THydrogen-bonded Turntrans-63.6135.4-176.4-58.50000111.8N291 A292 Y301 T330N291-C328 WeakPolarHBondContact CA-O 3.48Å; N291-C328 WeakPolarHBondContact OD1-CB 3.41Å; N291-C328 PolarHBondContact OD1-N 2.91Å; A292-C328 PolarHBondContact N-O 3.31Å; Y301-C328 HydrophobicContact CE1-CB 3.96Å; Y301-C328 HydrophobicContact CE2-CB 3.63Å; Y301-C328 WeakPolarHBondContact OH-CB 3.49Å; C328-T330 VanDerWaalsContact C-N 3.29Å; C328-T330 PolarHBondContact O-N 3.34Å
329G91.1Very high96.6Very high10 Ų1019 Ų1910%0.10312%0.116CC..THydrogen-bonded Turntrans86.9-13-179.200000114.8T43 C327T43-G329 PolarHBondContact OG1-N 2.85Å; T43-G329 VanDerWaalsContact OG1-N 3.08Å; C327-G329 PolarHBondContact O-N 2.73Å
330T95.6Very high96.7Very high0 Ų024.1 Ų24.10%013%0.133CC..  trans-86132.2-178.659.40000112.9G39 G40 Y89 A292 G326 C327 C328 H334G39-T330 VanDerWaalsContact CA-OG1 3.27Å; G39-T330 WeakPolarHBondContact CA-OG1 3.31Å; G40-T330 PolarHBondContact N-O 3.34Å; G40-T330 PolarHBondContact N-OG1 3.44Å; Y89-T330 PolarHBondContact OH-O 3.21Å; A292-T330 HydrophobicContact CB-CG2 3.99Å; G326-T330 VanDerWaalsContact CA-OG1 3.23Å; G326-T330 WeakPolarHBondContact CA-OG1 3.47Å; G326-T330 PolarHBondContact O-OG1 3.23Å; C327-T330 PolarHBondContact N-OG1 2.92Å; C327-T330 PolarHBondContact O-N 2.77Å; C327-T330 PolarHBondContact O-OG1 3.36Å; C328-T330 VanDerWaalsContact C-N 3.29Å; C328-T330 PolarHBondContact O-N 3.34Å; T330-H334 HydrophobicContact CG2-CB 4.41Å
331T96.6Very high96.7Very high22 Ų2223.9 Ų23.914%0.13513%0.134CC..  trans-119.5172.7-175.266.80000111T43 M44 S333 H334 I335T43-T331 HydrophobicContact CG2-CG2 4.25Å; M44-T331 HydrophobicContact SD-CG2 4.42Å; T331-S333 PolarHBondContact O-N 3.26Å; T331-S333 VanDerWaalsContact O-N 3.09Å; T331-S333 PolarHBondContact OG1-OG 2.96Å; T331-H334 PolarHBondContact N-ND1 3.46Å; T331-H334 WeakPolarHBondContact O-CA 3.41Å; T331-H334 WeakPolarHBondContact O-CB 3.34Å; T331-H334 PolarHBondContact O-N 2.67Å; T331-H334 PolarHBondContact OG1-ND1 3.02Å; T331-I335 PolarHBondContact O-N 3.12Å; T331-I335 VanDerWaalsContact O-N 3.1Å
332P97.8Very high96.7Very high18 Ų1824 Ų2412%0.11714%0.135CC..Hα-helixtrans-54.7-27.7175.1-3036.3000114.3M44 E88 Y89 A92 R336M44-P332 HydrophobicContact CE-CG 3.93Å; M44-P332 WeakPolarHBondContact SD-CD 3.37Å; M44-P332 HydrophobicContact SD-CG 4.16Å; E88-P332 HydrophobicContact CB-CG 3.97Å; Y89-P332 HydrophobicContact CD1-CB 4.35Å; Y89-P332 HydrophobicContact CD1-CG 3.92Å; Y89-P332 HydrophobicContact CE1-CG 3.91Å; Y89-P332 HydrophobicContact CG-CG 4.35Å; A92-P332 HydrophobicContact CB-CB 3.97Å; A92-P332 WeakPolarHBondContact CB-O 3.44Å; P332-R336 WeakPolarHBondContact O-CB 3.45Å; P332-R336 PolarHBondContact O-N 3.43Å
333S97.4Very high96.5Very high60 Ų6032.2 Ų32.242%0.4217%0.171SC..Hα-helixtrans-68.6-37.1173.859.60000112.6T331 A337T331-S333 PolarHBondContact O-N 3.26Å; T331-S333 VanDerWaalsContact O-N 3.09Å; T331-S333 PolarHBondContact OG1-OG 2.96Å; S333-A337 PolarHBondContact O-N 2.84Å; S333-A337 VanDerWaalsContact O-N 3.16Å
334H97.6Very high96.2Very high13 Ų1341.2 Ų41.26%0.0621%0.213CC..Hα-helixtrans-64-49.9173-64.179.5000110.6E303 P305 T330 T331 R336 A337 I338E303-H334 PolarHBondContact O-NE2 3.38Å; E303-H334 VanDerWaalsContact O-NE2 3.16Å; P305-H334 VanDerWaalsContact CA-CD2 3.43Å; P305-H334 WeakPolarHBondContact CA-CD2 3.4Å; T330-H334 HydrophobicContact CG2-CB 4.41Å; T331-H334 PolarHBondContact N-ND1 3.46Å; T331-H334 WeakPolarHBondContact O-CA 3.41Å; T331-H334 WeakPolarHBondContact O-CB 3.34Å; T331-H334 PolarHBondContact O-N 2.67Å; T331-H334 PolarHBondContact OG1-ND1 3.02Å; H334-R336 VanDerWaalsContact C-N 3.27Å; H334-R336 PolarHBondContact O-N 3.1Å; H334-A337 PolarHBondContact O-N 3.08Å; H334-A337 VanDerWaalsContact O-N 3.11Å; H334-I338 VanDerWaalsContact O-CG1 3.28Å; H334-I338 WeakPolarHBondContact O-CG1 3.24Å; H334-I338 PolarHBondContact O-N 2.8Å
335I98.3Very high96Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-60.3-37.7-179.9-62.1-49.2000111.8V36 Y89 A92 A94 T331 I338 A339V36-I335 HydrophobicContact CG1-CG2 3.87Å; Y89-I335 HydrophobicContact CD1-CB 4.27Å; Y89-I335 HydrophobicContact CD1-CG1 3.64Å; Y89-I335 HydrophobicContact CE1-CG1 3.78Å; A92-I335 HydrophobicContact CB-CB 4.29Å; A92-I335 HydrophobicContact CB-CG2 4.24Å; A94-I335 HydrophobicContact CB-CG2 4.18Å; T331-I335 PolarHBondContact O-N 3.12Å; T331-I335 VanDerWaalsContact O-N 3.1Å; I335-I338 HydrophobicContact CD1-CD1 4.23Å; I335-I338 PolarHBondContact O-N 3.19Å; I335-A339 WeakPolarHBondContact O-CB 3.4Å; I335-A339 PolarHBondContact O-N 2.94Å
336R98.3Very high95.9Very high127 Ų12750.1 Ų50.148%0.47926%0.256SS..Hα-helixtrans-62.2-48.4173.8-174.6177-61.6149.35.9112.3A92 P332 H334 I338 A339 E340A92-R336 HydrophobicContact CB-CB 4.26Å; A92-R336 VanDerWaalsContact O-CA 3.28Å; A92-R336 WeakPolarHBondContact O-CA 3.44Å; P332-R336 WeakPolarHBondContact O-CB 3.45Å; P332-R336 PolarHBondContact O-N 3.43Å; H334-R336 VanDerWaalsContact C-N 3.27Å; H334-R336 PolarHBondContact O-N 3.1Å; R336-I338 VanDerWaalsContact C-N 3.35Å; R336-I338 PolarHBondContact O-N 2.92Å; R336-A339 PolarHBondContact O-N 3.01Å; R336-E340 WeakPolarHBondContact O-CG 3.49Å; R336-E340 PolarHBondContact O-N 2.81Å
337A97.9Very high96Very high18 Ų1850.9 Ų50.915%0.14926%0.261CS..Hα-helixtrans-62.1-43.2178.800000111.6P305 A309 S333 H334 E340 A341P305-A337 HydrophobicContact CB-CB 4.01Å; A309-A337 HydrophobicContact CB-CB 3.76Å; S333-A337 PolarHBondContact O-N 2.84Å; S333-A337 VanDerWaalsContact O-N 3.16Å; H334-A337 PolarHBondContact O-N 3.08Å; H334-A337 VanDerWaalsContact O-N 3.11Å; A337-E340 PolarHBondContact O-N 2.93Å; A337-A341 WeakPolarHBondContact O-CB 3.34Å; A337-A341 PolarHBondContact O-N 2.95Å
338I97.7Very high96.1Very high0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-61.2-49.8176.2-67.3163.7000110.4T308 A309 L312 V324 H334 I335 R336 E340 A341 V342T308-I338 HydrophobicContact CG2-CD1 4.21Å; A309-I338 HydrophobicContact CB-CG1 4.12Å; L312-I338 HydrophobicContact CD1-CD1 3.69Å; L312-I338 HydrophobicContact CD1-CG1 3.93Å; L312-I338 HydrophobicContact CD1-CG2 4.21Å; V324-I338 HydrophobicContact CB-CG2 4.27Å; V324-I338 HydrophobicContact CG2-CG2 3.53Å; H334-I338 VanDerWaalsContact O-CG1 3.28Å; H334-I338 WeakPolarHBondContact O-CG1 3.24Å; H334-I338 PolarHBondContact O-N 2.8Å; I335-I338 HydrophobicContact CD1-CD1 4.23Å; I335-I338 PolarHBondContact O-N 3.19Å; R336-I338 VanDerWaalsContact C-N 3.35Å; R336-I338 PolarHBondContact O-N 2.92Å; I338-E340 VanDerWaalsContact C-N 3.3Å; I338-E340 PolarHBondContact O-N 2.62Å; I338-A341 PolarHBondContact O-N 3.07Å; I338-A341 VanDerWaalsContact O-N 3.15Å; I338-V342 WeakPolarHBondContact O-CG2 3.34Å; I338-V342 PolarHBondContact O-N 3.05Å
339A97.4Very high96.1Very high20 Ų2055.2 Ų55.217%0.16528%0.283CS..Hα-helixtrans-61.1-37.8-179.300000112.5V36 I335 R336 K343V36-A339 HydrophobicContact CG1-CB 4.48Å; V36-A339 HydrophobicContact CG2-CB 4.03Å; I335-A339 WeakPolarHBondContact O-CB 3.4Å; I335-A339 PolarHBondContact O-N 2.94Å; R336-A339 PolarHBondContact O-N 3.01Å; A339-K343 WeakPolarHBondContact O-CB 3.46Å; A339-K343 PolarHBondContact O-N 2.77Å
340E97.2Very high96.1Very high136 Ų13656.2 Ų56.264%0.63629%0.288SS*.Hα-helixtrans-67.6-43.4174.1-74.1175-172.800111.9R336 A337 I338R336-E340 WeakPolarHBondContact O-CG 3.49Å; R336-E340 PolarHBondContact O-N 2.81Å; A337-E340 PolarHBondContact O-N 2.93Å; I338-E340 VanDerWaalsContact C-N 3.3Å; I338-E340 PolarHBondContact O-N 2.62Å
341A96.3Very high95.5Very high19 Ų1958.4 Ų58.416%0.15731%0.307CS..Hα-helixtrans-67.7-40.8-176.500000113.3A309 Q313 A337 I338A309-A341 HydrophobicContact CB-CB 4.2Å; Q313-A341 HydrophobicContact CB-CB 4.08Å; Q313-A341 HydrophobicContact CG-CB 4.35Å; Q313-A341 PolarHBondContact NE2-O 2.89Å; A337-A341 WeakPolarHBondContact O-CB 3.34Å; A337-A341 PolarHBondContact O-N 2.95Å; I338-A341 PolarHBondContact O-N 3.07Å; I338-A341 VanDerWaalsContact O-N 3.15Å
342V96.4Very high94.2Very high3 Ų361.5 Ų61.52%0.01833%0.334CS..Hα-helixtrans-88.6-5.9-177.1-54.20000114.2I34 V36 A316 V324 I338 Q344 C345I34-V342 HydrophobicContact CB-CB 4.49Å; I34-V342 HydrophobicContact CB-CG2 4.37Å; I34-V342 HydrophobicContact CD1-CB 4.44Å; I34-V342 HydrophobicContact CG2-CB 4.3Å; I34-V342 HydrophobicContact CG2-CG2 4.06Å; V36-V342 HydrophobicContact CG2-CG2 4.17Å; A316-V342 HydrophobicContact CB-CB 4.44Å; A316-V342 HydrophobicContact CB-CG1 4.04Å; V324-V342 HydrophobicContact CG2-CG1 4.02Å; V324-V342 HydrophobicContact CG2-CG2 3.96Å; I338-V342 WeakPolarHBondContact O-CG2 3.34Å; I338-V342 PolarHBondContact O-N 3.05Å; V342-Q344 PolarHBondContact O-N 3.12Å; V342-Q344 VanDerWaalsContact O-N 3.11Å; V342-C345 PolarHBondContact O-N 2.89Å; V342-C345 VanDerWaalsContact O-N 3.1Å
343K94.3Very high93.1Very high171 Ų17165.7 Ų65.774%0.74336%0.356SS*.THydrogen-bonded Turntrans-55.4-34.1-172.1-171171.7-179.7176.50114.6A339A339-K343 WeakPolarHBondContact O-CB 3.46Å; A339-K343 PolarHBondContact O-N 2.77Å
344Q91.6Very high92.2Very high190 Ų19064.6 Ų64.689%0.88835%0.348SS*.THydrogen-bonded Turntrans-105.4-0.2-177.1-63.1-169.1-9.800113.4V342V342-Q344 PolarHBondContact O-N 3.12Å; V342-Q344 VanDerWaalsContact O-N 3.11Å
345C95.3Very high91.6Very high21 Ų2166.6 Ų66.614%0.14236%0.357CS..SBendtrans-78.5147.7-179.6-620000111I34 A316 V342I34-C345 HydrophobicContact CD1-CB 3.88Å; A316-C345 HydrophobicContact CB-CB 3.68Å; V342-C345 PolarHBondContact O-N 2.89Å; V342-C345 VanDerWaalsContact O-N 3.1Å
346Q95.3Very high90.7Very high165 Ų16572.7 Ų72.777%0.77138%0.383SS*.PPolyproline II helixtrans-81.6137.9173.6-66.2-160.4-0.400110.3
347P96.9Very high90.2Very high17 Ų1771.6 Ų71.611%0.1139%0.387CS..PPolyproline II helixtrans-66154.1175.8-18.131.3000112.3L30 R33 I34 V349L30-P347 VanDerWaalsContact O-CB 3.26Å; L30-P347 WeakPolarHBondContact O-CB 3.46Å; L30-P347 WeakPolarHBondContact O-CG 3.31Å; R33-P347 VanDerWaalsContact C-CG 3.41Å; I34-P347 HydrophobicContact CG1-CB 4.16Å; I34-P347 HydrophobicContact CG1-CG 4.15Å; P347-V349 PolarHBondContact O-N 3.11Å
348R95.9Very high90Very high19 Ų1974.3 Ų74.37%0.07239%0.394CS..PPolyproline II helixtrans-51.8136165.8173.6173.5163.7-86.12.7111G279 T282 A284 G319 L320 V321 N322 P350G279-R348 PolarHBondContact O-NH2 2.9Å; T282-R348 PolarHBondContact O-NH2 3.02Å; A284-R348 PolarHBondContact O-NH1 2.67Å; G319-R348 WeakPolarHBondContact O-CA 3.44Å; G319-R348 WeakPolarHBondContact O-CB 3.5Å; G319-R348 WeakPolarHBondContact O-CG 3.4Å; L320-R348 VanDerWaalsContact O-CD 3.22Å; L320-R348 WeakPolarHBondContact O-CD 3.11Å; V321-R348 PolarHBondContact O-N 3.03Å; N322-R348 PolarHBondContact ND2-O 3.44Å; R348-P350 WeakPolarHBondContact O-CD 3.47Å
349V93.9Very high90Very high130 Ų13074.3 Ų74.379%0.78839%0.394SS*.  trans-91.6112.1168.8-177.80000108.7P347P347-V349 PolarHBondContact O-N 3.11Å
350P89.8Confident90Very high31 Ų3175 Ų7520%0.20139%0.394CS..  trans-64.3139178-18.932000111.2S283 F285 R348 A352S283-P350 VanDerWaalsContact O-CB 3.26Å; S283-P350 WeakPolarHBondContact O-CB 3.4Å; F285-P350 HydrophobicContact CD1-CG 3.6Å; F285-P350 HydrophobicContact CE1-CG 3.69Å; F285-P350 HydrophobicContact CG-CG 4.46Å; R348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-A352 PolarHBondContact O-N 3.4Å
351A83.6Confident90.1Very high47 Ų4768.6 Ų68.639%0.38836%0.364SS..  trans-71.7111.6175.300000109.9S283 D353 S354S283-A351 WeakPolarHBondContact CB-O 3.43Å; A351-D353 VanDerWaalsContact C-N 3.29Å; A351-D353 PolarHBondContact O-N 3.39Å; A351-S354 WeakPolarHBondContact CB-OG 3.28Å
352A70.3Confident90.1Very high86 Ų8667.7 Ų67.771%0.71136%0.357SS*.THydrogen-bonded Turntrans-68-26.2-173.900000113.7P350P350-A352 PolarHBondContact O-N 3.4Å
353D74.1Confident90.1Very high107 Ų10768 Ų6857%0.57236%0.36SS*.THydrogen-bonded Turntrans-11217.2-176.2-62.5-57.1000113.4A351 F355 K356A351-D353 VanDerWaalsContact C-N 3.29Å; A351-D353 PolarHBondContact O-N 3.39Å; D353-F355 PolarHBondContact O-N 3.45Å; D353-K356 HydrophobicContact CB-CD 4.5Å; D353-K356 PolarHBondContact O-N 3.22Å; D353-K356 VanDerWaalsContact OD1-CD 3.26Å; D353-K356 WeakPolarHBondContact OD1-CD 3.25Å; D353-K356 IonicContact OD1-NZ 3.65Å; D353-K356 PolarHBondContact OD1-NZ 2.92Å
354S77.5Confident90.2Very high37 Ų3760.3 Ų60.326%0.25933%0.328SS..THydrogen-bonded Turntrans-55109.8176.8-78.70000110.9A351 K356A351-S354 WeakPolarHBondContact CB-OG 3.28Å; S354-K356 VanDerWaalsContact C-N 3.26Å; S354-K356 PolarHBondContact O-N 3.25Å
355F85.1Confident90.4Very high55 Ų5554.7 Ų54.724%0.24130%0.301CS..THydrogen-bonded Turntrans57.529.3175.7-54.2-66.5000115.6D353 D357 Y358 L360 R368D353-F355 PolarHBondContact O-N 3.45Å; F355-D357 VanDerWaalsContact C-N 3.29Å; F355-D357 PolarHBondContact O-N 3.29Å; F355-Y358 HydrophobicContact CB-CD2 4.15Å; F355-Y358 HydrophobicContact CB-CG 4.13Å; F355-Y358 HydrophobicContact CD1-CD1 4.09Å; F355-Y358 HydrophobicContact CD1-CD2 4.18Å; F355-Y358 HydrophobicContact CD1-CE1 4.22Å; F355-Y358 HydrophobicContact CD1-CE2 4.34Å; F355-Y358 HydrophobicContact CD1-CG 4.06Å; F355-Y358 WeakPolarHBondContact O-CB 3.37Å; F355-Y358 PolarHBondContact O-N 2.78Å; F355-Y358 VanDerWaalsContact O-N 3.08Å; F355-L360 HydrophobicContact CB-CD1 4.18Å; F355-L360 HydrophobicContact CB-CD2 4.11Å; F355-L360 HydrophobicContact CG-CD2 4.31Å; F355-R368 VanDerWaalsContact CZ-CZ 3.48Å
356K80.6Confident90.5Very high128 Ų12855.5 Ų55.556%0.55731%0.306SS*.THydrogen-bonded Turntrans-57.2-31.5-174.6-172.3177.1-176.6176.90116D353 S354 N536D353-K356 HydrophobicContact CB-CD 4.5Å; D353-K356 PolarHBondContact O-N 3.22Å; D353-K356 VanDerWaalsContact OD1-CD 3.26Å; D353-K356 WeakPolarHBondContact OD1-CD 3.25Å; D353-K356 IonicContact OD1-NZ 3.65Å; D353-K356 PolarHBondContact OD1-NZ 2.92Å; S354-K356 VanDerWaalsContact C-N 3.26Å; S354-K356 PolarHBondContact O-N 3.25Å; K356-N536 PolarHBondContact O-ND2 2.91Å
357D87.3Confident90.6Very high104 Ų10449.3 Ų49.356%0.55628%0.277SS*.THydrogen-bonded Turntrans-106.721.2179.9-59.9-41.7000112.7F355 N536 R576F355-D357 VanDerWaalsContact C-N 3.29Å; F355-D357 PolarHBondContact O-N 3.29Å; D357-N536 VanDerWaalsContact C-OD1 3.3Å; D357-N536 PolarHBondContact O-OD1 3.28Å; D357-R576 PolarHBondContact O-NH2 3.26Å
358Y94.5Very high90.5Very high75 Ų7551.7 Ų51.729%0.29428%0.283SS..  trans-108.1139.5-175.6-71.1-116.2000110.7F355 R368 I369 G370 N536F355-Y358 HydrophobicContact CB-CD2 4.15Å; F355-Y358 HydrophobicContact CB-CG 4.13Å; F355-Y358 HydrophobicContact CD1-CD1 4.09Å; F355-Y358 HydrophobicContact CD1-CD2 4.18Å; F355-Y358 HydrophobicContact CD1-CE1 4.22Å; F355-Y358 HydrophobicContact CD1-CE2 4.34Å; F355-Y358 HydrophobicContact CD1-CG 4.06Å; F355-Y358 WeakPolarHBondContact O-CB 3.37Å; F355-Y358 PolarHBondContact O-N 2.78Å; F355-Y358 VanDerWaalsContact O-N 3.08Å; Y358-R368 HydrophobicContact CD1-CB 4.08Å; Y358-I369 WeakPolarHBondContact CA-O 3.13Å; Y358-G370 VanDerWaalsContact CD1-CA 3.4Å; Y358-G370 VanDerWaalsContact CE1-CA 3.47Å; Y358-N536 WeakPolarHBondContact O-CB 3.31Å
359L96.9Very high90.6Very high0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-81.1118.5159.216663.5000106.8L361 I369 A498 N536 D537 I539 M613L359-L361 HydrophobicContact CD1-CD2 3.97Å; L359-L361 HydrophobicContact CD1-CG 4.27Å; L359-L361 HydrophobicContact CD2-CD1 4.43Å; L359-L361 HydrophobicContact CG-CD2 4.36Å; L359-L361 HydrophobicContact CG-CG 4.13Å; L359-I369 HydrophobicContact CB-CB 4.15Å; L359-I369 HydrophobicContact CD2-CD1 3.71Å; L359-I369 HydrophobicContact CG-CD1 4.15Å; L359-I369 PolarHBondContact N-O 2.89Å; L359-I369 PolarHBondContact O-N 2.84Å; L359-A498 HydrophobicContact CD1-CB 3.72Å; L359-N536 WeakPolarHBondContact CB-O 3.44Å; L359-D537 WeakPolarHBondContact CD1-OD1 3.39Å; L359-I539 HydrophobicContact CD2-CD1 3.94Å; L359-I539 HydrophobicContact CD2-CG1 4.19Å; L359-M613 HydrophobicContact CD2-CE 3.75Å
360L97.2Very high90.5Very high33 Ų3345 Ų4517%0.17325%0.246CC..EExtended strand (participates in β ladder)trans-102.9120.2179.6-61.4176.4000108.8V250 F355 R368 K470V250-L360 HydrophobicContact CG1-CB 3.77Å; V250-L360 HydrophobicContact CG2-CB 4.16Å; V250-L360 HydrophobicContact CG2-CD1 4.43Å; F355-L360 HydrophobicContact CB-CD1 4.18Å; F355-L360 HydrophobicContact CB-CD2 4.11Å; F355-L360 HydrophobicContact CG-CD2 4.31Å; L360-R368 HydrophobicContact CD2-CB 4.17Å; L360-R368 HydrophobicContact CD2-CG 3.72Å; L360-K470 WeakPolarHBondContact O-CD 3.34Å; L360-K470 WeakPolarHBondContact O-CE 3.47Å; L360-K470 PolarHBondContact O-NZ 3.23Å
361L98.3Very high90.4Very high2 Ų247.6 Ų47.61%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-121.1162.9173.8-60.4177.8000109.5L359 F367 I369 V416 P449 K470 V472 A498L359-L361 HydrophobicContact CD1-CD2 3.97Å; L359-L361 HydrophobicContact CD1-CG 4.27Å; L359-L361 HydrophobicContact CD2-CD1 4.43Å; L359-L361 HydrophobicContact CG-CD2 4.36Å; L359-L361 HydrophobicContact CG-CG 4.13Å; L361-F367 HydrophobicContact CB-CB 4.44Å; L361-F367 HydrophobicContact CD1-CD1 4.38Å; L361-F367 PolarHBondContact N-O 3.31Å; L361-F367 PolarHBondContact O-N 2.81Å; L361-I369 HydrophobicContact CD1-CD1 4.02Å; L361-V416 HydrophobicContact CD1-CG2 4.21Å; L361-P449 HydrophobicContact CB-CB 3.84Å; L361-P449 HydrophobicContact CB-CG 3.55Å; L361-P449 HydrophobicContact CD1-CB 4.35Å; L361-P449 HydrophobicContact CD1-CG 4.42Å; L361-K470 HydrophobicContact CD2-CG 4.3Å; L361-V472 HydrophobicContact CD1-CG2 3.67Å; L361-V472 HydrophobicContact CD2-CG2 3.68Å; L361-V472 HydrophobicContact CG-CG2 4.35Å; L361-A498 HydrophobicContact CD2-CB 3.96Å
362S98.1Very high90.6Very high1 Ų155.2 Ų55.21%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-151.7142.2172.858.60000112.6S251 E365 G469 K470S251-S362 PolarHBondContact OG-OG 2.68Å; S362-E365 WeakPolarHBondContact CA-O 3.1Å; S362-G469 CarbonylContact O-C 3.46Å; S362-G469 VanDerWaalsContact O-CA 3.32Å; S362-G469 WeakPolarHBondContact O-CA 3.46Å; S362-G469 WeakPolarHBondContact OG-CA 3.46Å; S362-K470 PolarHBondContact N-O 3.07Å; S362-K470 VanDerWaalsContact N-O 3.08Å; S362-K470 PolarHBondContact O-N 3.17Å; S362-K470 PolarHBondContact OG-N 3.21Å
363G96.2Very high91.6Very high8 Ų853.6 Ų53.68%0.08226%0.264CS..SBendtrans-100.2-123.2153.200000108.6Q243 E365 A446Q243-G363 PolarHBondContact NE2-O 2.75Å; G363-E365 PolarHBondContact N-O 3.01Å; G363-A446 CarbonylContact C-O 3.54Å; G363-A446 VanDerWaalsContact CA-O 3.28Å; G363-A446 WeakPolarHBondContact CA-O 3.28Å
364L95.6Very high92.4Very high11 Ų1155.3 Ų55.36%0.05827%0.273CS..SBendtrans-71.7-22.1162.2-59.6-179000112.5S241 Q243 T244 A247 P443 A446S241-L364 VanDerWaalsContact O-CD2 3.31Å; S241-L364 WeakPolarHBondContact O-CD2 3.26Å; Q243-L364 WeakPolarHBondContact CA-O 3.4Å; Q243-L364 HydrophobicContact CB-CD2 4.3Å; T244-L364 PolarHBondContact N-O 3.39Å; A247-L364 WeakPolarHBondContact CB-O 3.43Å; L364-P443 HydrophobicContact CD1-CB 4.42Å; L364-A446 HydrophobicContact CD1-CB 3.76Å; L364-A446 HydrophobicContact CG-CB 3.82Å; L364-A446 PolarHBondContact N-O 2.89Å
365E96Very high93.3Very high72 Ų7254.9 Ų54.934%0.33627%0.267SS..SBendtrans-121.3151.9179.6-70.2176.6-16400110.1R238 T244 S362 G363 R447R238-E365 IonicContact CZ-OE1 3.16Å; R238-E365 IonicContact NH1-OE1 3.47Å; R238-E365 IonicContact NH2-OE1 3.69Å; R238-E365 PolarHBondContact NH2-OE1 3.36Å; T244-E365 HydrophobicContact CG2-CG 4.12Å; S362-E365 WeakPolarHBondContact CA-O 3.1Å; G363-E365 PolarHBondContact N-O 3.01Å; E365-R447 HydrophobicContact CG-CB 4.49Å; E365-R447 PolarHBondContact N-O 2.83Å
366P96.6Very high93.9Very high37 Ų3752.2 Ų52.224%0.2426%0.255CS..EExtended strand (participates in β ladder)trans-74.5142.8179.133.2-36.5000109.9E246 V250E246-P366 HydrophobicContact CB-CB 4.3Å; E246-P366 HydrophobicContact CB-CG 3.79Å; V250-P366 HydrophobicContact CG2-CB 4.49Å
367F97.4Very high94.6Very high36 Ų3647.8 Ų47.816%0.15824%0.238CC..EExtended strand (participates in β ladder)trans-126.9117.4170.1-175-120.1000109.6L361 I369 V376 Q415 V416 P449L361-F367 HydrophobicContact CB-CB 4.44Å; L361-F367 HydrophobicContact CD1-CD1 4.38Å; L361-F367 PolarHBondContact N-O 3.31Å; L361-F367 PolarHBondContact O-N 2.81Å; F367-I369 HydrophobicContact CD1-CD1 4.07Å; F367-I369 HydrophobicContact CD1-CG1 3.98Å; F367-I369 HydrophobicContact CE1-CD1 3.67Å; F367-I369 HydrophobicContact CE1-CG1 3.57Å; F367-I369 HydrophobicContact CZ-CG1 4.13Å; F367-V376 HydrophobicContact CE1-CG1 3.6Å; F367-V376 HydrophobicContact CE1-CG2 4.08Å; F367-V376 HydrophobicContact CZ-CG1 3.86Å; F367-V376 HydrophobicContact CZ-CG2 3.91Å; F367-Q415 HydrophobicContact CE1-CB 4.09Å; F367-Q415 HydrophobicContact CE2-CB 4.05Å; F367-Q415 HydrophobicContact CE2-CG 4.25Å; F367-Q415 HydrophobicContact CZ-CB 3.67Å; F367-Q415 HydrophobicContact CZ-CG 4.13Å; F367-V416 HydrophobicContact CD1-CG2 4.15Å; F367-V416 HydrophobicContact CE1-CG2 4.11Å; F367-P449 HydrophobicContact CB-CG 3.75Å; F367-P449 HydrophobicContact CD1-CG 4.32Å; F367-P449 HydrophobicContact CG-CG 4.43Å
368R96.1Very high95.2Very high66 Ų6643 Ų4325%0.24921%0.212CC..EExtended strand (participates in β ladder)trans-112.8121-169.9-56.8-179.4169.6132.7-0.2109.7E246 S281 F355 Y358 L360 T373E246-R368 IonicContact OE2-CZ 2.97Å; E246-R368 IonicContact OE2-NH1 4Å; E246-R368 PolarHBondContact OE2-NH1 3.33Å; E246-R368 IonicContact OE2-NH2 3.99Å; E246-R368 PolarHBondContact OE2-NH2 2.74Å; S281-R368 PolarHBondContact OG-NH2 3.12Å; F355-R368 VanDerWaalsContact CZ-CZ 3.48Å; Y358-R368 HydrophobicContact CD1-CB 4.08Å; L360-R368 HydrophobicContact CD2-CB 4.17Å; L360-R368 HydrophobicContact CD2-CG 3.72Å; R368-T373 PolarHBondContact O-OG1 3.18Å
369I96.8Very high95.3Very high4 Ų439.4 Ų39.42%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-111.696-178.9-53.4166.7000108.2Y358 L359 L361 F367 T373 V376 R576 M613Y358-I369 WeakPolarHBondContact CA-O 3.13Å; L359-I369 HydrophobicContact CB-CB 4.15Å; L359-I369 HydrophobicContact CD2-CD1 3.71Å; L359-I369 HydrophobicContact CG-CD1 4.15Å; L359-I369 PolarHBondContact N-O 2.89Å; L359-I369 PolarHBondContact O-N 2.84Å; L361-I369 HydrophobicContact CD1-CD1 4.02Å; F367-I369 HydrophobicContact CD1-CD1 4.07Å; F367-I369 HydrophobicContact CD1-CG1 3.98Å; F367-I369 HydrophobicContact CE1-CD1 3.67Å; F367-I369 HydrophobicContact CE1-CG1 3.57Å; F367-I369 HydrophobicContact CZ-CG1 4.13Å; I369-T373 HydrophobicContact CG2-CG2 4.48Å; I369-V376 HydrophobicContact CD1-CG1 4.44Å; I369-V376 HydrophobicContact CD1-CG2 3.99Å; I369-V376 HydrophobicContact CG1-CG2 3.97Å; I369-V376 HydrophobicContact CG2-CG2 4.11Å; I369-R576 PolarHBondContact O-NE 2.99Å; I369-R576 PolarHBondContact O-NH2 3.17Å; I369-M613 HydrophobicContact CD1-CE 4.01Å
370G93.3Very high95.2Very high5 Ų541.4 Ų41.45%0.05221%0.207CC..  trans-99.3-177.8177.700000112.9Y358 Y372 T373Y358-G370 VanDerWaalsContact CD1-CA 3.4Å; Y358-G370 VanDerWaalsContact CE1-CA 3.47Å; G370-Y372 PolarHBondContact O-N 3.34Å; G370-T373 PolarHBondContact N-OG1 3.02Å; G370-T373 PolarHBondContact O-N 3.06Å
371P86.7Confident95Very high86 Ų8643.6 Ų43.656%0.55821%0.213SC*.THydrogen-bonded Turntrans-65.3-21-178.525.7-34.8000114.2
372Y87.6Confident94.9Very high207 Ų20743.6 Ų43.681%0.81221%0.213SC*.THydrogen-bonded Turntrans-1073179.3-49.6-57.7000113.2G370G370-Y372 PolarHBondContact O-N 3.34Å
373T91.4Very high94.8Very high52 Ų5244.7 Ų44.732%0.31922%0.219SC..PPolyproline II helixtrans-68.7133.8173.9-58.20000108.3R368 I369 G370 V376R368-T373 PolarHBondContact O-OG1 3.18Å; I369-T373 HydrophobicContact CG2-CG2 4.48Å; G370-T373 PolarHBondContact N-OG1 3.02Å; G370-T373 PolarHBondContact O-N 3.06Å; T373-V376 HydrophobicContact CG2-CG2 4.33Å
374N92.1Very high94.6Very high142 Ų14244.6 Ų44.676%0.75922%0.217SC*.PPolyproline II helixtrans-62.7171.9173.7-68-11.8000111.2V376N374-V376 PolarHBondContact O-N 3.42Å
375F95.2Very high93.8Very high28 Ų2848 Ų4812%0.12325%0.246CC..PPolyproline II helixtrans-52.1129.9177-178.6-100.5000112.3N377 L603 I607 M611 M613 G614 V616F375-N377 WeakPolarHBondContact CD1-OD1 3.47Å; F375-N377 WeakPolarHBondContact CE1-OD1 3.48Å; F375-L603 HydrophobicContact CE1-CD1 4.25Å; F375-L603 HydrophobicContact CE1-CD2 4.08Å; F375-L603 HydrophobicContact CE2-CD2 3.82Å; F375-L603 HydrophobicContact CZ-CD1 4.47Å; F375-L603 HydrophobicContact CZ-CD2 3.48Å; F375-L603 VanDerWaalsContact CZ-CD2 3.48Å; F375-I607 HydrophobicContact CB-CD1 3.65Å; F375-I607 HydrophobicContact CB-CG1 4.13Å; F375-I607 HydrophobicContact CD1-CD1 4.44Å; F375-I607 HydrophobicContact CD2-CD1 3.77Å; F375-I607 HydrophobicContact CD2-CG1 3.6Å; F375-I607 HydrophobicContact CE2-CD1 4.5Å; F375-I607 HydrophobicContact CE2-CG1 4.26Å; F375-I607 HydrophobicContact CG-CD1 3.7Å; F375-I607 HydrophobicContact CG-CG1 4.06Å; F375-M611 HydrophobicContact CE2-CE 4.13Å; F375-M611 HydrophobicContact CE2-CG 4.12Å; F375-M611 HydrophobicContact CE2-SD 4.27Å; F375-M611 HydrophobicContact CZ-CE 4.39Å; F375-M613 WeakPolarHBondContact CE2-O 3.5Å; F375-M613 VanDerWaalsContact CZ-C 3.49Å; F375-G614 VanDerWaalsContact CZ-N 3.27Å; F375-V616 HydrophobicContact CE1-CG1 4.22Å; F375-V616 HydrophobicContact CZ-CG1 4.3Å
376V97.3Very high93Very high0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-92120.8-178.4177.80000111.1F367 I369 T373 N374 Q415 V416 D612 M613 G614F367-V376 HydrophobicContact CE1-CG1 3.6Å; F367-V376 HydrophobicContact CE1-CG2 4.08Å; F367-V376 HydrophobicContact CZ-CG1 3.86Å; F367-V376 HydrophobicContact CZ-CG2 3.91Å; I369-V376 HydrophobicContact CD1-CG1 4.44Å; I369-V376 HydrophobicContact CD1-CG2 3.99Å; I369-V376 HydrophobicContact CG1-CG2 3.97Å; I369-V376 HydrophobicContact CG2-CG2 4.11Å; T373-V376 HydrophobicContact CG2-CG2 4.33Å; N374-V376 PolarHBondContact O-N 3.42Å; V376-Q415 HydrophobicContact CG1-CB 4.26Å; V376-V416 HydrophobicContact CG1-CG2 4.23Å; V376-D612 PolarHBondContact N-O 3.19Å; V376-M613 HydrophobicContact CB-CB 3.68Å; V376-M613 HydrophobicContact CG1-CB 4.33Å; V376-M613 WeakPolarHBondContact O-CA 3.45Å; V376-G614 PolarHBondContact O-N 2.87Å; V376-G614 VanDerWaalsContact O-N 3.1Å
377N97Very high92.6Very high34 Ų3446.4 Ų46.418%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-86.2112.1177.5-60.2-56.6000110.9F375 Q415 V416 V616 A618F375-N377 WeakPolarHBondContact CD1-OD1 3.47Å; F375-N377 WeakPolarHBondContact CE1-OD1 3.48Å; N377-Q415 VanDerWaalsContact N-OE1 3.16Å; N377-Q415 PolarHBondContact O-N 3.18Å; N377-V416 PolarHBondContact O-N 2.94Å; N377-V616 HydrophobicContact CB-CG2 3.83Å; N377-A618 HydrophobicContact CB-CB 4.28Å
378I98Very high92.1Very high4 Ų455.9 Ų55.92%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-95.1114.7171.2-46.9178.5000108.1E380 V416 D418 C451 M613 G614 I615 V616I378-E380 PolarHBondContact O-N 2.88Å; I378-V416 CarbonylContact C-O 3.54Å; I378-V416 WeakPolarHBondContact CA-O 3.42Å; I378-V416 HydrophobicContact CB-CB 4.4Å; I378-V416 HydrophobicContact CG1-CB 4.16Å; I378-V416 HydrophobicContact CG2-CB 4.08Å; I378-V416 HydrophobicContact CG2-CG1 3.98Å; I378-D418 HydrophobicContact CG2-CB 3.93Å; I378-C451 HydrophobicContact CG2-CB 4.02Å; I378-M613 HydrophobicContact CD1-CB 4.42Å; I378-M613 HydrophobicContact CD1-CG 4.16Å; I378-M613 HydrophobicContact CD1-SD 4.06Å; I378-G614 WeakPolarHBondContact CB-O 3.29Å; I378-G614 PolarHBondContact N-O 3.11Å; I378-I615 HydrophobicContact CB-CG1 4.12Å; I378-I615 HydrophobicContact CD1-CG1 4.28Å; I378-I615 HydrophobicContact CG2-CG1 4.15Å; I378-I615 CarbonylContact O-C 3.59Å; I378-I615 WeakPolarHBondContact O-CA 3.37Å; I378-V616 PolarHBondContact O-N 3.03Å; I378-V616 VanDerWaalsContact O-O 3.12Å
379G97Very high91.7Very high0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-70.6117.4-17300000113.5Q409 V416 D418G379-Q409 PolarHBondContact O-OE1 3.34Å; G379-V416 PolarHBondContact N-O 3.23Å; G379-D418 WeakPolarHBondContact O-CB 3.37Å; G379-D418 PolarHBondContact O-N 2.83Å
380E95.1Very high91.6Very high41 Ų4158.3 Ų58.319%0.19230%0.301CS..EExtended strand (participates in β ladder)trans-81.6-11.6-172.173.4177.5-157.300116.4I378 C382 N383 Q409 S582 I615 V616 N617I378-E380 PolarHBondContact O-N 2.88Å; E380-C382 PolarHBondContact O-N 2.73Å; E380-N383 VanDerWaalsContact O-CB 3.3Å; E380-N383 WeakPolarHBondContact O-CB 3.44Å; E380-Q409 VanDerWaalsContact N-OE1 3.11Å; E380-S582 VanDerWaalsContact CD-OG 3.25Å; E380-S582 PolarHBondContact OE1-OG 3.11Å; E380-S582 VanDerWaalsContact OE2-CB 3.31Å; E380-S582 WeakPolarHBondContact OE2-CB 3.41Å; E380-S582 PolarHBondContact OE2-OG 3.14Å; E380-I615 HydrophobicContact CB-CG2 3.54Å; E380-V616 PolarHBondContact N-O 3.02Å; E380-N617 HydrophobicContact CG-CB 4.21Å
381R94.1Very high91.5Very high80 Ų8058.6 Ų58.630%0.30230%0.303SS..EExtended strand (participates in β ladder)trans-82.3-10.6-162.8-56.6-17363.7-179.72.6115.1N383 S387 F390 I405 Q409R381-N383 PolarHBondContact O-N 3.11Å; R381-N383 VanDerWaalsContact O-N 3.15Å; R381-S387 WeakPolarHBondContact O-CB 3.23Å; R381-S387 PolarHBondContact O-OG 3.36Å; R381-S387 VanDerWaalsContact O-OG 3.08Å; R381-F390 WeakPolarHBondContact O-CB 3.25Å; R381-I405 HydrophobicContact CB-CG2 3.84Å; R381-Q409 VanDerWaalsContact CB-CD 3.47Å; R381-Q409 HydrophobicContact CB-CG 4.15Å; R381-Q409 HydrophobicContact CG-CG 4.31Å
382C96.3Very high91.7Very high1 Ų161.6 Ų61.61%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-87.146.3174.7-76.60000110.9E380 F390 Q409 D418 I419 N420 F435E380-C382 PolarHBondContact O-N 2.73Å; C382-F390 VanDerWaalsContact C-CE1 3.42Å; C382-F390 HydrophobicContact CB-CD2 4.48Å; C382-F390 HydrophobicContact CB-CE1 4.37Å; C382-F390 HydrophobicContact CB-CE2 4.01Å; C382-F390 HydrophobicContact CB-CZ 3.94Å; C382-F390 WeakPolarHBondContact O-CE1 3.41Å; C382-Q409 PolarHBondContact SG-NE2 3.4Å; C382-D418 WeakPolarHBondContact CB-O 3.22Å; C382-I419 WeakPolarHBondContact O-CA 3.24Å; C382-N420 PolarHBondContact O-N 3.14Å; C382-F435 HydrophobicContact CB-CE1 4.45Å
383N94.9Very high92Very high25 Ų2552.3 Ų52.313%0.13427%0.272CS..EExtended strand (participates in β ladder)trans-126.8120.5-174.6-176.6-42.9000109.7E380 R381 A385 G386 S387 N420E380-N383 VanDerWaalsContact O-CB 3.3Å; E380-N383 WeakPolarHBondContact O-CB 3.44Å; R381-N383 PolarHBondContact O-N 3.11Å; R381-N383 VanDerWaalsContact O-N 3.15Å; N383-A385 WeakPolarHBondContact OD1-CA 3.43Å; N383-A385 PolarHBondContact OD1-N 3.45Å; N383-G386 PolarHBondContact O-N 2.9Å; N383-G386 PolarHBondContact OD1-N 3.32Å; N383-S387 VanDerWaalsContact O-CB 3.29Å; N383-S387 WeakPolarHBondContact O-CB 3.41Å; N383-S387 PolarHBondContact O-N 3Å; N383-N420 HydrophobicContact CB-CB 4Å; N383-N420 WeakPolarHBondContact ND2-CB 3.25Å
384V91.7Very high92.1Very high6 Ų650 Ų504%0.03626%0.258CS..THydrogen-bonded Turntrans-64.4-39.3-178.1175.50000111.7F390 A391 I394 N420 M421 E423 L426V384-F390 HydrophobicContact CG2-CD1 4.01Å; V384-F390 HydrophobicContact CG2-CE1 4.06Å; V384-A391 HydrophobicContact CG1-CB 3.99Å; V384-A391 VanDerWaalsContact O-CB 3.22Å; V384-A391 WeakPolarHBondContact O-CB 3.41Å; V384-I394 HydrophobicContact CG2-CB 4.3Å; V384-I394 HydrophobicContact CG2-CG1 4.35Å; V384-I394 HydrophobicContact CG2-CG2 4.25Å; V384-N420 WeakPolarHBondContact CG2-O 3.13Å; V384-N420 PolarHBondContact N-O 3.4Å; V384-N420 VanDerWaalsContact N-O 3.07Å; V384-M421 HydrophobicContact CG2-SD 3.97Å; V384-E423 HydrophobicContact CG1-CB 3.7Å; V384-E423 HydrophobicContact CG1-CG 4.18Å; V384-L426 HydrophobicContact CG1-CD1 4.28Å; V384-L426 HydrophobicContact CG2-CD1 4.18Å
385A79.9Confident92Very high81 Ų8148.4 Ų48.467%0.66925%0.247SC*.THydrogen-bonded Turntrans-74.2-35.1177.200000112.8N383N383-A385 WeakPolarHBondContact OD1-CA 3.43Å; N383-A385 PolarHBondContact OD1-N 3.45Å
386G79.3Confident91.7Very high65 Ų6550 Ų5067%0.6727%0.266SS*.THydrogen-bonded Turntrans-89.1-26-173.300000115.4N383N383-G386 PolarHBondContact O-N 2.9Å; N383-G386 PolarHBondContact OD1-N 3.32Å
387S87.7Confident91.4Very high12 Ų1252 Ų528%0.08429%0.286CS..  trans-125.4103.7-170.3177.50000112.1R381 N383 K389 F390 A391R381-S387 WeakPolarHBondContact O-CB 3.23Å; R381-S387 PolarHBondContact O-OG 3.36Å; R381-S387 VanDerWaalsContact O-OG 3.08Å; N383-S387 VanDerWaalsContact O-CB 3.29Å; N383-S387 WeakPolarHBondContact O-CB 3.41Å; N383-S387 PolarHBondContact O-N 3Å; S387-K389 PolarHBondContact O-N 2.86Å; S387-K389 VanDerWaalsContact O-N 3.13Å; S387-F390 PolarHBondContact O-N 3.07Å; S387-F390 WeakPolarHBondContact OG-CB 3.45Å; S387-F390 PolarHBondContact OG-N 3.27Å; S387-A391 WeakPolarHBondContact O-CB 3.43Å; S387-A391 PolarHBondContact O-N 3.48Å
388R86.2Confident91.2Very high235 Ų23554 Ų5489%0.88730%0.295SS*.Hα-helixtrans-53.6-37.8179.6-67.2-176.9-176169.41.8113.5K392R388-K392 WeakPolarHBondContact O-CB 3.36Å; R388-K392 PolarHBondContact O-N 2.89Å
389K89.3Confident90.8Very high120 Ų12054.8 Ų54.852%0.52230%0.297SS..Hα-helixtrans-69.9-44.9179.7-172.9-178.3176.5-1720110.7S387 K392 L393 I405S387-K389 PolarHBondContact O-N 2.86Å; S387-K389 VanDerWaalsContact O-N 3.13Å; K389-K392 PolarHBondContact O-N 2.61Å; K389-L393 WeakPolarHBondContact O-CG 3.35Å; K389-L393 PolarHBondContact O-N 2.87Å; K389-I405 HydrophobicContact CB-CD1 4.17Å; K389-I405 HydrophobicContact CD-CD1 3.99Å; K389-I405 HydrophobicContact CG-CD1 3.88Å
390F93.9Very high90.3Very high0 Ų061.1 Ų61.10%033%0.327CS..Hα-helixtrans-65.5-47.7179.2-169.1-106.5000111.1R381 C382 V384 S387 K392 L393 I394 A402 I405 M421 F435R381-F390 WeakPolarHBondContact O-CB 3.25Å; C382-F390 VanDerWaalsContact C-CE1 3.42Å; C382-F390 HydrophobicContact CB-CD2 4.48Å; C382-F390 HydrophobicContact CB-CE1 4.37Å; C382-F390 HydrophobicContact CB-CE2 4.01Å; C382-F390 HydrophobicContact CB-CZ 3.94Å; C382-F390 WeakPolarHBondContact O-CE1 3.41Å; V384-F390 HydrophobicContact CG2-CD1 4.01Å; V384-F390 HydrophobicContact CG2-CE1 4.06Å; S387-F390 PolarHBondContact O-N 3.07Å; S387-F390 WeakPolarHBondContact OG-CB 3.45Å; S387-F390 PolarHBondContact OG-N 3.27Å; F390-K392 VanDerWaalsContact C-N 3.3Å; F390-K392 PolarHBondContact O-N 3.2Å; F390-L393 PolarHBondContact O-N 2.7Å; F390-I394 HydrophobicContact CD1-CG1 3.91Å; F390-I394 HydrophobicContact CD2-CG1 4.45Å; F390-I394 HydrophobicContact CE1-CD1 4.18Å; F390-I394 HydrophobicContact CE1-CG1 3.63Å; F390-I394 HydrophobicContact CE2-CD1 4.16Å; F390-I394 HydrophobicContact CE2-CG1 4.21Å; F390-I394 HydrophobicContact CG-CG1 4.32Å; F390-I394 HydrophobicContact CZ-CD1 3.84Å; F390-I394 HydrophobicContact CZ-CG1 3.8Å; F390-I394 WeakPolarHBondContact O-CG1 3.06Å; F390-I394 PolarHBondContact O-N 2.88Å; F390-A402 HydrophobicContact CD2-CB 4.11Å; F390-A402 HydrophobicContact CE2-CB 3.83Å; F390-I405 HydrophobicContact CB-CD1 3.93Å; F390-I405 HydrophobicContact CD2-CB 4.39Å; F390-I405 HydrophobicContact CD2-CD1 3.99Å; F390-I405 HydrophobicContact CG-CD1 4.48Å; F390-M421 HydrophobicContact CE1-CE 3.82Å; F390-M421 HydrophobicContact CE1-SD 4.07Å; F390-M421 HydrophobicContact CZ-CE 3.63Å; F390-M421 HydrophobicContact CZ-SD 4.46Å; F390-F435 HydrophobicContact CE2-CE1 4.04Å; F390-F435 AromaticContact CE2-CE2 3.94Å; F390-F435 HydrophobicContact CE2-CE2 3.94Å; F390-F435 AromaticContact CE2-CZ 3.54Å; F390-F435 HydrophobicContact CE2-CZ 3.54Å; F390-F435 HydrophobicContact CZ-CD1 4.21Å; F390-F435 AromaticContact CZ-CE1 3.75Å; F390-F435 HydrophobicContact CZ-CE1 3.75Å; F390-F435 HydrophobicContact CZ-CE2 4.13Å; F390-F435 AromaticContact CZ-CZ 3.71Å; F390-F435 HydrophobicContact CZ-CZ 3.71Å
391A90.2Very high89.9Confident11 Ų1164.1 Ų64.19%0.09134%0.341CS..Hα-helixtrans-51.6-4817600000112.2V384 S387 L393 I394 M395V384-A391 HydrophobicContact CG1-CB 3.99Å; V384-A391 VanDerWaalsContact O-CB 3.22Å; V384-A391 WeakPolarHBondContact O-CB 3.41Å; S387-A391 WeakPolarHBondContact O-CB 3.43Å; S387-A391 PolarHBondContact O-N 3.48Å; A391-L393 PolarHBondContact O-N 3.4Å; A391-I394 PolarHBondContact O-N 2.99Å; A391-M395 HydrophobicContact CB-CE 3.92Å; A391-M395 WeakPolarHBondContact O-CB 3.35Å; A391-M395 VanDerWaalsContact O-CE 3.25Å; A391-M395 WeakPolarHBondContact O-CE 3.37Å; A391-M395 VanDerWaalsContact O-CG 3.3Å; A391-M395 WeakPolarHBondContact O-CG 3.36Å; A391-M395 PolarHBondContact O-N 3.16Å
392K91.2Very high89.8Confident150 Ų15060.3 Ų60.365%0.65233%0.326SS*.Hα-helixtrans-59.7-43.8178.7-175.1-177.8176.1-173.40112.2R388 K389 F390 A396R388-K392 WeakPolarHBondContact O-CB 3.36Å; R388-K392 PolarHBondContact O-N 2.89Å; K389-K392 PolarHBondContact O-N 2.61Å; F390-K392 VanDerWaalsContact C-N 3.3Å; F390-K392 PolarHBondContact O-N 3.2Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 3.13Å; K392-A396 VanDerWaalsContact O-N 3.08Å
393L94.3Very high89.5Confident12 Ų1261 Ų616%0.06333%0.33CS..Hα-helixtrans-70-44.4-178.3-66.3173.9000111.6K389 F390 A391 A396 G397 Q398 E401 A402 I405K389-L393 WeakPolarHBondContact O-CG 3.35Å; K389-L393 PolarHBondContact O-N 2.87Å; F390-L393 PolarHBondContact O-N 2.7Å; A391-L393 PolarHBondContact O-N 3.4Å; L393-A396 CarbonylContact O-C 3.56Å; L393-A396 PolarHBondContact O-N 3.41Å; L393-G397 PolarHBondContact O-N 2.9Å; L393-G397 VanDerWaalsContact O-N 3.14Å; L393-Q398 HydrophobicContact CB-CB 4.4Å; L393-Q398 HydrophobicContact CD2-CB 4.06Å; L393-Q398 PolarHBondContact O-N 3.5Å; L393-E401 HydrophobicContact CD1-CB 4.1Å; L393-E401 HydrophobicContact CD2-CB 3.96Å; L393-E401 WeakPolarHBondContact CD2-OE2 3.36Å; L393-A402 HydrophobicContact CB-CB 4.15Å; L393-A402 HydrophobicContact CD1-CB 4.35Å; L393-I405 HydrophobicContact CD1-CD1 4.09Å
394I94.1Very high89.3Confident3 Ų362.7 Ų62.72%0.01534%0.344CS..Hα-helixtrans-64.5-47178.8-62.9-59.1000110.9V384 F390 A391 A396 G397 Y399 A402 M421 L426 F435V384-I394 HydrophobicContact CG2-CB 4.3Å; V384-I394 HydrophobicContact CG2-CG1 4.35Å; V384-I394 HydrophobicContact CG2-CG2 4.25Å; F390-I394 HydrophobicContact CD1-CG1 3.91Å; F390-I394 HydrophobicContact CD2-CG1 4.45Å; F390-I394 HydrophobicContact CE1-CD1 4.18Å; F390-I394 HydrophobicContact CE1-CG1 3.63Å; F390-I394 HydrophobicContact CE2-CD1 4.16Å; F390-I394 HydrophobicContact CE2-CG1 4.21Å; F390-I394 HydrophobicContact CG-CG1 4.32Å; F390-I394 HydrophobicContact CZ-CD1 3.84Å; F390-I394 HydrophobicContact CZ-CG1 3.8Å; F390-I394 WeakPolarHBondContact O-CG1 3.06Å; F390-I394 PolarHBondContact O-N 2.88Å; A391-I394 PolarHBondContact O-N 2.99Å; I394-A396 PolarHBondContact O-N 2.66Å; I394-G397 PolarHBondContact O-N 3.19Å; I394-Y399 HydrophobicContact CD1-CD1 3.93Å; I394-Y399 HydrophobicContact CD1-CE1 3.92Å; I394-A402 HydrophobicContact CD1-CB 3.85Å; I394-M421 HydrophobicContact CD1-CE 3.96Å; I394-M421 HydrophobicContact CD1-SD 4.29Å; I394-M421 HydrophobicContact CG1-CE 4.36Å; I394-M421 HydrophobicContact CG1-SD 4.18Å; I394-M421 HydrophobicContact CG2-SD 3.95Å; I394-L426 HydrophobicContact CG2-CD1 3.64Å; I394-L426 HydrophobicContact CG2-CD2 4.3Å; I394-F435 HydrophobicContact CD1-CD2 4.23Å
395M89.3Confident89.4Confident108 Ų10862.8 Ų62.853%0.53234%0.344SS..Hα-helixtrans-63-30.2176.3-71.9-173.7-75.300112.8A391 G397A391-M395 HydrophobicContact CB-CE 3.92Å; A391-M395 WeakPolarHBondContact O-CB 3.35Å; A391-M395 VanDerWaalsContact O-CE 3.25Å; A391-M395 WeakPolarHBondContact O-CE 3.37Å; A391-M395 VanDerWaalsContact O-CG 3.3Å; A391-M395 WeakPolarHBondContact O-CG 3.36Å; A391-M395 PolarHBondContact O-N 3.16Å; M395-G397 VanDerWaalsContact C-N 3.28Å
396A89.9Confident90Very high63 Ų6359 Ų5952%0.52131%0.313SS..THydrogen-bonded Turntrans-81.9-2.2174.800000113.6K392 L393 I394 Q398K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 3.13Å; K392-A396 VanDerWaalsContact O-N 3.08Å; L393-A396 CarbonylContact O-C 3.56Å; L393-A396 PolarHBondContact O-N 3.41Å; I394-A396 PolarHBondContact O-N 2.66Å; A396-Q398 VanDerWaalsContact C-N 3.25Å; A396-Q398 HydrophobicContact CB-CG 4.04Å; A396-Q398 PolarHBondContact O-N 3.36Å
397G90Very high90.5Very high42 Ų4257.1 Ų57.143%0.43329%0.286SS..THydrogen-bonded Turntrans71.115.3-17600000114.6L393 I394 M395 Y399L393-G397 PolarHBondContact O-N 2.9Å; L393-G397 VanDerWaalsContact O-N 3.14Å; I394-G397 PolarHBondContact O-N 3.19Å; M395-G397 VanDerWaalsContact C-N 3.28Å; G397-Y399 VanDerWaalsContact C-N 3.31Å; G397-Y399 WeakPolarHBondContact O-CD2 3.49Å; G397-Y399 PolarHBondContact O-N 3.24Å; G397-Y399 VanDerWaalsContact O-N 3.15Å
398Q92.3Very high90.7Very high76 Ų7658 Ų5836%0.35529%0.294SS..  trans-88.761.2-178.6-60.9-176.1-69.900111.3L393 A396 E400 E401 A402L393-Q398 HydrophobicContact CB-CB 4.4Å; L393-Q398 HydrophobicContact CD2-CB 4.06Å; L393-Q398 PolarHBondContact O-N 3.5Å; A396-Q398 VanDerWaalsContact C-N 3.25Å; A396-Q398 HydrophobicContact CB-CG 4.04Å; A396-Q398 PolarHBondContact O-N 3.36Å; Q398-E400 PolarHBondContact O-N 3.21Å; Q398-E401 HydrophobicContact CB-CB 4.37Å; Q398-E401 PolarHBondContact NE2-OE1 2.84Å; Q398-E401 VanDerWaalsContact NE2-OE1 3.11Å; Q398-E401 PolarHBondContact O-N 3.49Å; Q398-A402 PolarHBondContact O-N 3.2Å; Q398-A402 VanDerWaalsContact O-N 3.13Å
399Y90.4Very high91Very high20 Ų2046.9 Ų46.98%0.07825%0.252CS..Hα-helixtrans-63.7-35.2-175.5-72.9-100.1000113.3I394 G397 A402 L403 R434 F435 F438I394-Y399 HydrophobicContact CD1-CD1 3.93Å; I394-Y399 HydrophobicContact CD1-CE1 3.92Å; G397-Y399 VanDerWaalsContact C-N 3.31Å; G397-Y399 WeakPolarHBondContact O-CD2 3.49Å; G397-Y399 PolarHBondContact O-N 3.24Å; G397-Y399 VanDerWaalsContact O-N 3.15Å; Y399-A402 WeakPolarHBondContact O-CB 3.35Å; Y399-A402 PolarHBondContact O-N 2.94Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; Y399-L403 PolarHBondContact O-N 3.33Å; Y399-L403 VanDerWaalsContact O-N 3.11Å; Y399-R434 HydrophobicContact CD1-CG 4.31Å; Y399-R434 HydrophobicContact CE1-CB 4.25Å; Y399-R434 HydrophobicContact CE1-CG 4.25Å; Y399-F435 HydrophobicContact CD1-CB 4.08Å; Y399-F435 AromaticContact CD1-CD2 4Å; Y399-F435 HydrophobicContact CD1-CD2 4Å; Y399-F435 HydrophobicContact CE1-CB 4.19Å; Y399-F438 HydrophobicContact CD1-CD2 4.18Å; Y399-F438 HydrophobicContact CD1-CE2 4.35Å; Y399-F438 HydrophobicContact CG-CD2 4.09Å; Y399-F438 AromaticContact CG-CE2 3.86Å; Y399-F438 HydrophobicContact CG-CE2 3.86Å
400E86.3Confident91.1Very high132 Ų13241.6 Ų41.662%0.61723%0.23SC*.Hα-helixtrans-63.6-43176.4-70.3-178.2-177.800112.5Q398 A402 L403 F438Q398-E400 PolarHBondContact O-N 3.21Å; E400-A402 VanDerWaalsContact C-N 3.27Å; E400-A402 PolarHBondContact O-N 2.91Å; E400-L403 WeakPolarHBondContact O-CB 3.37Å; E400-L403 PolarHBondContact O-N 3.09Å; E400-F438 HydrophobicContact CG-CD1 4.4Å; E400-F438 HydrophobicContact CG-CE1 3.68Å; E400-F438 HydrophobicContact CG-CZ 4.38Å
401E86.6Confident90.8Very high104 Ų10448 Ų4849%0.48626%0.26SS..Hα-helixtrans-66.8-33.1174.4-70.7-174.8-153.100111.1L393 Q398 L403 S404L393-E401 HydrophobicContact CD1-CB 4.1Å; L393-E401 HydrophobicContact CD2-CB 3.96Å; L393-E401 WeakPolarHBondContact CD2-OE2 3.36Å; Q398-E401 HydrophobicContact CB-CB 4.37Å; Q398-E401 PolarHBondContact NE2-OE1 2.84Å; Q398-E401 VanDerWaalsContact NE2-OE1 3.11Å; Q398-E401 PolarHBondContact O-N 3.49Å; E401-L403 VanDerWaalsContact C-N 3.27Å; E401-L403 PolarHBondContact O-N 3.43Å; E401-S404 VanDerWaalsContact O-CB 3.29Å; E401-S404 WeakPolarHBondContact O-CB 3.5Å; E401-S404 PolarHBondContact O-N 3.35Å; E401-S404 VanDerWaalsContact O-N 3.09Å; E401-S404 PolarHBondContact O-OG 3.14Å
402A91.4Very high90.6Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-65.1-29.2176.500000112.6F390 L393 I394 Q398 Y399 E400 S404 I405 F435F390-A402 HydrophobicContact CD2-CB 4.11Å; F390-A402 HydrophobicContact CE2-CB 3.83Å; L393-A402 HydrophobicContact CB-CB 4.15Å; L393-A402 HydrophobicContact CD1-CB 4.35Å; I394-A402 HydrophobicContact CD1-CB 3.85Å; Q398-A402 PolarHBondContact O-N 3.2Å; Q398-A402 VanDerWaalsContact O-N 3.13Å; Y399-A402 WeakPolarHBondContact O-CB 3.35Å; Y399-A402 PolarHBondContact O-N 2.94Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; E400-A402 VanDerWaalsContact C-N 3.27Å; E400-A402 PolarHBondContact O-N 2.91Å; A402-S404 PolarHBondContact O-N 3.48Å; A402-I405 WeakPolarHBondContact O-CB 3.46Å; A402-I405 PolarHBondContact O-N 3.38Å; A402-F435 HydrophobicContact CB-CE2 3.86Å
403L91.7Very high90.4Very high17 Ų1745.6 Ų45.69%0.08926%0.259CS..Hα-helixtrans-59-30.3171.5-69.6176.7000112.5Y399 E400 E401 I405 A406 K407 F435 F438 V439 I445Y399-L403 PolarHBondContact O-N 3.33Å; Y399-L403 VanDerWaalsContact O-N 3.11Å; E400-L403 WeakPolarHBondContact O-CB 3.37Å; E400-L403 PolarHBondContact O-N 3.09Å; E401-L403 VanDerWaalsContact C-N 3.27Å; E401-L403 PolarHBondContact O-N 3.43Å; L403-I405 PolarHBondContact O-N 3.05Å; L403-A406 PolarHBondContact O-N 3.33Å; L403-K407 WeakPolarHBondContact O-CB 3.45Å; L403-K407 PolarHBondContact O-N 3.49Å; L403-F435 HydrophobicContact CD2-CE2 4.08Å; L403-F435 HydrophobicContact CD2-CZ 4.43Å; L403-F438 HydrophobicContact CD1-CB 4.15Å; L403-F438 HydrophobicContact CD1-CD1 4.11Å; L403-F438 HydrophobicContact CD2-CB 3.91Å; L403-F438 HydrophobicContact CG-CB 4.24Å; L403-V439 HydrophobicContact CD2-CG2 3.9Å; L403-I445 HydrophobicContact CB-CD1 4Å; L403-I445 HydrophobicContact CD2-CD1 3.89Å; L403-I445 HydrophobicContact CG-CD1 4.48Å; L403-I445 WeakPolarHBondContact O-CD1 3.16Å
404S90.7Very high90.4Very high60 Ų6045.1 Ų45.142%0.4226%0.258SS..Hα-helixtrans-61.9-29.2176.474.20000112.7E401 A402 A408E401-S404 VanDerWaalsContact O-CB 3.29Å; E401-S404 WeakPolarHBondContact O-CB 3.5Å; E401-S404 PolarHBondContact O-N 3.35Å; E401-S404 VanDerWaalsContact O-N 3.09Å; E401-S404 PolarHBondContact O-OG 3.14Å; A402-S404 PolarHBondContact O-N 3.48Å; S404-A408 VanDerWaalsContact O-CB 3.23Å; S404-A408 WeakPolarHBondContact O-CB 3.5Å; S404-A408 PolarHBondContact O-N 3.16Å
405I92.6Very high90.5Very high8 Ų848 Ų484%0.04127%0.271CS..Hα-helixtrans-72.5-46.3176.1-59.6-177.5000109.9R381 K389 F390 L393 A402 L403 A408 Q409R381-I405 HydrophobicContact CB-CG2 3.84Å; K389-I405 HydrophobicContact CB-CD1 4.17Å; K389-I405 HydrophobicContact CD-CD1 3.99Å; K389-I405 HydrophobicContact CG-CD1 3.88Å; F390-I405 HydrophobicContact CB-CD1 3.93Å; F390-I405 HydrophobicContact CD2-CB 4.39Å; F390-I405 HydrophobicContact CD2-CD1 3.99Å; F390-I405 HydrophobicContact CG-CD1 4.48Å; L393-I405 HydrophobicContact CD1-CD1 4.09Å; A402-I405 WeakPolarHBondContact O-CB 3.46Å; A402-I405 PolarHBondContact O-N 3.38Å; L403-I405 PolarHBondContact O-N 3.05Å; I405-A408 PolarHBondContact O-N 3.03Å; I405-Q409 WeakPolarHBondContact O-CG 3.22Å; I405-Q409 PolarHBondContact O-N 3.08Å; I405-Q409 VanDerWaalsContact O-N 3.09Å
406A93.3Very high90.9Very high1 Ų143 Ų431%0.00825%0.246CC..Hα-helixtrans-58.8-47.6175.200000111.4L403 A408 Q409 V410 L417 F435 I445L403-A406 PolarHBondContact O-N 3.33Å; A406-A408 PolarHBondContact O-N 2.9Å; A406-Q409 PolarHBondContact O-N 3.09Å; A406-V410 PolarHBondContact O-N 2.92Å; A406-L417 HydrophobicContact CB-CD1 4Å; A406-F435 HydrophobicContact CB-CZ 4.39Å; A406-I445 HydrophobicContact CB-CD1 3.98Å; A406-I445 HydrophobicContact CB-CG2 3.89Å
407K90.1Very high91.3Very high25 Ų2540 Ų4011%0.10922%0.222CC..Hα-helixtrans-59.7-48.2177.1-176.2167.9-177.5147.40112.6L403 Q409 V410 E411 E442 D444 I445L403-K407 WeakPolarHBondContact O-CB 3.45Å; L403-K407 PolarHBondContact O-N 3.49Å; K407-Q409 VanDerWaalsContact C-N 3.26Å; K407-Q409 PolarHBondContact O-N 3.4Å; K407-V410 PolarHBondContact O-N 3.37Å; K407-V410 VanDerWaalsContact O-N 3.15Å; K407-E411 WeakPolarHBondContact CE-OE1 3.18Å; K407-E411 HydrophobicContact CG-CG 4.44Å; K407-E411 WeakPolarHBondContact O-CG 3.37Å; K407-E411 PolarHBondContact O-N 3.19Å; K407-E442 IonicContact NZ-OE1 3.67Å; K407-D444 WeakPolarHBondContact CE-OD2 3.42Å; K407-D444 IonicContact NZ-OD2 3.89Å; K407-D444 PolarHBondContact NZ-OD2 2.68Å; K407-I445 HydrophobicContact CB-CD1 4.03Å; K407-I445 HydrophobicContact CB-CG1 3.96Å
408A90.6Very high91.7Very high31 Ų3138.1 Ų38.126%0.25620%0.201SC..Hα-helixtrans-59.9-38.1179.200000111.8S404 I405 A406 E411 M412S404-A408 VanDerWaalsContact O-CB 3.23Å; S404-A408 WeakPolarHBondContact O-CB 3.5Å; S404-A408 PolarHBondContact O-N 3.16Å; I405-A408 PolarHBondContact O-N 3.03Å; A406-A408 PolarHBondContact O-N 2.9Å; A408-E411 PolarHBondContact O-N 3.31Å; A408-M412 HydrophobicContact CB-CE 4.21Å; A408-M412 WeakPolarHBondContact O-CB 3.26Å; A408-M412 VanDerWaalsContact O-CE 3.3Å; A408-M412 WeakPolarHBondContact O-CE 3.42Å; A408-M412 WeakPolarHBondContact O-CG 3.17Å; A408-M412 PolarHBondContact O-N 3.38Å
409Q92.3Very high92Very high1 Ų134.6 Ų34.61%0.00519%0.185CC..Hα-helixtrans-62.8-43.4176.3-72-170.9103.300112.2G379 E380 R381 C382 I405 A406 K407 M412 G413 A414 L417G379-Q409 PolarHBondContact O-OE1 3.34Å; E380-Q409 VanDerWaalsContact N-OE1 3.11Å; R381-Q409 VanDerWaalsContact CB-CD 3.47Å; R381-Q409 HydrophobicContact CB-CG 4.15Å; R381-Q409 HydrophobicContact CG-CG 4.31Å; C382-Q409 PolarHBondContact SG-NE2 3.4Å; I405-Q409 WeakPolarHBondContact O-CG 3.22Å; I405-Q409 PolarHBondContact O-N 3.08Å; I405-Q409 VanDerWaalsContact O-N 3.09Å; A406-Q409 PolarHBondContact O-N 3.09Å; K407-Q409 VanDerWaalsContact C-N 3.26Å; K407-Q409 PolarHBondContact O-N 3.4Å; Q409-M412 CarbonylContact O-C 3.52Å; Q409-M412 PolarHBondContact O-N 3.36Å; Q409-G413 PolarHBondContact O-N 3.29Å; Q409-A414 HydrophobicContact CB-CB 4.03Å; Q409-A414 WeakPolarHBondContact O-CB 3.46Å; Q409-A414 PolarHBondContact O-N 3.01Å; Q409-L417 HydrophobicContact CB-CD2 3.7Å
410V91.8Very high92.3Very high9 Ų934.2 Ų34.26%0.05519%0.185CC..Hα-helixtrans-63.6-42.3176.3175.40000111.2A406 K407 M412 G413 L417 V448A406-V410 PolarHBondContact O-N 2.92Å; K407-V410 PolarHBondContact O-N 3.37Å; K407-V410 VanDerWaalsContact O-N 3.15Å; V410-M412 VanDerWaalsContact C-N 3.27Å; V410-M412 PolarHBondContact O-N 2.92Å; V410-G413 PolarHBondContact O-N 3.29Å; V410-G413 VanDerWaalsContact O-N 3.15Å; V410-L417 HydrophobicContact CG2-CD1 3.78Å; V410-L417 HydrophobicContact CG2-CD2 4.11Å; V410-L417 HydrophobicContact CG2-CG 4.03Å; V410-V448 HydrophobicContact CG1-CG1 4.15Å; V410-V448 HydrophobicContact CG2-CG1 4.34Å; V410-V448 HydrophobicContact CG2-CG2 3.69Å
411E87.5Confident92.8Very high135 Ų13528 Ų2863%0.63116%0.155SC*.Hα-helixtrans-64.5-31.3176.1-71.2173.4173.500112.6K407 A408 G413K407-E411 WeakPolarHBondContact CE-OE1 3.18Å; K407-E411 HydrophobicContact CG-CG 4.44Å; K407-E411 WeakPolarHBondContact O-CG 3.37Å; K407-E411 PolarHBondContact O-N 3.19Å; A408-E411 PolarHBondContact O-N 3.31Å; E411-G413 VanDerWaalsContact C-N 3.28Å; E411-G413 PolarHBondContact O-N 3.39Å
412M85.9Confident93Very high74 Ų7424.8 Ų24.837%0.36514%0.142SC..THydrogen-bonded Turntrans-85.49.1175.6-68.1-176.9-60.800113.7A408 Q409 V410A408-M412 HydrophobicContact CB-CE 4.21Å; A408-M412 WeakPolarHBondContact O-CB 3.26Å; A408-M412 VanDerWaalsContact O-CE 3.3Å; A408-M412 WeakPolarHBondContact O-CE 3.42Å; A408-M412 WeakPolarHBondContact O-CG 3.17Å; A408-M412 PolarHBondContact O-N 3.38Å; Q409-M412 CarbonylContact O-C 3.52Å; Q409-M412 PolarHBondContact O-N 3.36Å; V410-M412 VanDerWaalsContact C-N 3.27Å; V410-M412 PolarHBondContact O-N 2.92Å
413G87.1Confident92.9Very high36 Ų3629 Ų2937%0.37116%0.161SC..THydrogen-bonded Turntrans98.51317200000116.3Q409 V410 E411 Q415Q409-G413 PolarHBondContact O-N 3.29Å; V410-G413 PolarHBondContact O-N 3.29Å; V410-G413 VanDerWaalsContact O-N 3.15Å; E411-G413 VanDerWaalsContact C-N 3.28Å; E411-G413 PolarHBondContact O-N 3.39Å; G413-Q415 PolarHBondContact O-N 2.84Å
414A94.4Very high92.3Very high3 Ų331.9 Ų31.93%0.02520%0.195CC..  trans-69124.4168.100000110.3Q409 L417 A618Q409-A414 HydrophobicContact CB-CB 4.03Å; Q409-A414 WeakPolarHBondContact O-CB 3.46Å; Q409-A414 PolarHBondContact O-N 3.01Å; A414-L417 HydrophobicContact CB-CD2 4.26Å; A414-A618 HydrophobicContact CB-CB 3.9Å
415Q97.2Very high92Very high64 Ų6436.9 Ų36.930%0.29921%0.214SC..SBendtrans-95.1-20.4-179.4-66.8159.6-59.200112.3F367 V376 N377 G413 V448 P449F367-Q415 HydrophobicContact CE1-CB 4.09Å; F367-Q415 HydrophobicContact CE2-CB 4.05Å; F367-Q415 HydrophobicContact CE2-CG 4.25Å; F367-Q415 HydrophobicContact CZ-CB 3.67Å; F367-Q415 HydrophobicContact CZ-CG 4.13Å; V376-Q415 HydrophobicContact CG1-CB 4.26Å; N377-Q415 VanDerWaalsContact N-OE1 3.16Å; N377-Q415 PolarHBondContact O-N 3.18Å; G413-Q415 PolarHBondContact O-N 2.84Å; Q415-V448 WeakPolarHBondContact O-CB 3.42Å; Q415-P449 WeakPolarHBondContact O-CD 3.09Å
416V98.2Very high91.7Very high2 Ų238.3 Ų38.31%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-134.8148171.7-178.70000107.2L361 F367 V376 N377 I378 G379 P449 C451L361-V416 HydrophobicContact CD1-CG2 4.21Å; F367-V416 HydrophobicContact CD1-CG2 4.15Å; F367-V416 HydrophobicContact CE1-CG2 4.11Å; V376-V416 HydrophobicContact CG1-CG2 4.23Å; N377-V416 PolarHBondContact O-N 2.94Å; I378-V416 CarbonylContact C-O 3.54Å; I378-V416 WeakPolarHBondContact CA-O 3.42Å; I378-V416 HydrophobicContact CB-CB 4.4Å; I378-V416 HydrophobicContact CG1-CB 4.16Å; I378-V416 HydrophobicContact CG2-CB 4.08Å; I378-V416 HydrophobicContact CG2-CG1 3.98Å; G379-V416 PolarHBondContact N-O 3.23Å; V416-P449 WeakPolarHBondContact CA-O 3.43Å; V416-P449 HydrophobicContact CG1-CB 4.46Å; V416-P449 WeakPolarHBondContact CG1-O 3.38Å; V416-P449 HydrophobicContact CG2-CB 4.39Å; V416-P449 HydrophobicContact CG2-CG 4.41Å; V416-C451 HydrophobicContact CG1-CB 3.87Å
417L98Very high91.7Very high1 Ų143.4 Ų43.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-110.2123.3176.4-71.8173.8000111.5A406 Q409 V410 A414 I445 V448 P449 L450 C451A406-L417 HydrophobicContact CB-CD1 4Å; Q409-L417 HydrophobicContact CB-CD2 3.7Å; V410-L417 HydrophobicContact CG2-CD1 3.78Å; V410-L417 HydrophobicContact CG2-CD2 4.11Å; V410-L417 HydrophobicContact CG2-CG 4.03Å; A414-L417 HydrophobicContact CB-CD2 4.26Å; L417-I445 HydrophobicContact CD1-CG2 3.46Å; L417-I445 VanDerWaalsContact CD1-CG2 3.46Å; L417-V448 HydrophobicContact CD1-CG2 3.94Å; L417-V448 HydrophobicContact CG-CG2 3.99Å; L417-P449 PolarHBondContact N-O 2.75Å; L417-P449 VanDerWaalsContact N-O 3.12Å; L417-L450 HydrophobicContact CB-CD2 4.03Å; L417-L450 HydrophobicContact CD1-CD2 4.45Å; L417-C451 PolarHBondContact O-N 3.2Å
418D98.3Very high91.8Very high1 Ų142.8 Ų42.81%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-81125.7170.2-169.577000109.8I378 G379 C382 C451 D453 N474 I615I378-D418 HydrophobicContact CG2-CB 3.93Å; G379-D418 WeakPolarHBondContact O-CB 3.37Å; G379-D418 PolarHBondContact O-N 2.83Å; C382-D418 WeakPolarHBondContact CB-O 3.22Å; D418-C451 WeakPolarHBondContact CA-O 3.22Å; D418-C451 HydrophobicContact CB-CB 4.42Å; D418-C451 PolarHBondContact OD1-SG 3.04Å; D418-D453 WeakPolarHBondContact OD1-CB 3.33Å; D418-N474 PolarHBondContact OD1-ND2 3.44Å; D418-I615 HydrophobicContact CB-CG2 4.33Å
419I97.9Very high92.1Very high2 Ų243.2 Ų43.21%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-120.5114.7179.8-57.4178.3000108.1C382 M421 M432 F435 V439 L450 C451 D453C382-I419 WeakPolarHBondContact O-CA 3.24Å; I419-M421 HydrophobicContact CG2-CE 3.94Å; I419-M421 HydrophobicContact CG2-CG 4.47Å; I419-M432 HydrophobicContact CB-SD 4.27Å; I419-M432 HydrophobicContact CG2-CE 4.05Å; I419-M432 HydrophobicContact CG2-SD 3.59Å; I419-M432 VanDerWaalsContact CG2-SD 3.59Å; I419-M432 VanDerWaalsContact O-CE 3.26Å; I419-M432 WeakPolarHBondContact O-CE 3.45Å; I419-F435 HydrophobicContact CD1-CD1 4.04Å; I419-F435 HydrophobicContact CD1-CE1 4.09Å; I419-F435 HydrophobicContact CG1-CD1 4.44Å; I419-F435 HydrophobicContact CG1-CE1 4.26Å; I419-F435 HydrophobicContact CG2-CD1 3.66Å; I419-F435 HydrophobicContact CG2-CE1 4.12Å; I419-V439 HydrophobicContact CD1-CG2 4.39Å; I419-L450 HydrophobicContact CD1-CB 4.49Å; I419-L450 HydrophobicContact CD1-CD1 3.93Å; I419-L450 HydrophobicContact CD1-CD2 4.01Å; I419-L450 HydrophobicContact CD1-CG 4.36Å; I419-C451 PolarHBondContact N-O 2.88Å; I419-D453 WeakPolarHBondContact O-CA 3.14Å; I419-D453 PolarHBondContact O-N 3.08Å
420N96.9Very high92.2Very high13 Ų1345.5 Ų45.57%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-125.7125.2177.3-174.9-49.9000110.6C382 N383 V384 D422 D453C382-N420 PolarHBondContact O-N 3.14Å; N383-N420 HydrophobicContact CB-CB 4Å; N383-N420 WeakPolarHBondContact ND2-CB 3.25Å; V384-N420 WeakPolarHBondContact CG2-O 3.13Å; V384-N420 PolarHBondContact N-O 3.4Å; V384-N420 VanDerWaalsContact N-O 3.07Å; N420-D422 WeakPolarHBondContact OD1-CB 3.32Å; N420-D422 PolarHBondContact OD1-N 3.24Å; N420-D453 WeakPolarHBondContact CA-O 3.23Å; N420-D453 HydrophobicContact CB-CB 3.94Å; N420-D453 PolarHBondContact ND2-OD2 2.86Å
421M96.3Very high92.4Very high0 Ų045.3 Ų45.30%027%0.268CS..  trans-117.116.2-178.7-64.8-64.8177.800113.1V384 F390 I394 I419 E423 A431 M432 F435V384-M421 HydrophobicContact CG2-SD 3.97Å; F390-M421 HydrophobicContact CE1-CE 3.82Å; F390-M421 HydrophobicContact CE1-SD 4.07Å; F390-M421 HydrophobicContact CZ-CE 3.63Å; F390-M421 HydrophobicContact CZ-SD 4.46Å; I394-M421 HydrophobicContact CD1-CE 3.96Å; I394-M421 HydrophobicContact CD1-SD 4.29Å; I394-M421 HydrophobicContact CG1-CE 4.36Å; I394-M421 HydrophobicContact CG1-SD 4.18Å; I394-M421 HydrophobicContact CG2-SD 3.95Å; I419-M421 HydrophobicContact CG2-CE 3.94Å; I419-M421 HydrophobicContact CG2-CG 4.47Å; M421-E423 PolarHBondContact O-N 3.13Å; M421-A431 HydrophobicContact CB-CB 4.19Å; M421-A431 HydrophobicContact CG-CB 4.29Å; M421-A431 HydrophobicContact SD-CB 4.42Å; M421-M432 HydrophobicContact CB-CE 4.19Å; M421-M432 HydrophobicContact CG-CB 4.34Å; M421-M432 HydrophobicContact CG-CE 4Å; M421-M432 HydrophobicContact CG-SD 4.33Å; M421-F435 HydrophobicContact CE-CB 3.32Å; M421-F435 HydrophobicContact CE-CD1 3.39Å; M421-F435 HydrophobicContact CE-CD2 4.15Å; M421-F435 HydrophobicContact CE-CE1 4.22Å; M421-F435 HydrophobicContact CE-CG 3.35Å
422D91.6Very high92.9Very high37 Ų3738.9 Ų38.920%0.19824%0.238CC..  trans-74.8112.3-178.7-75.5-1.7000110.4N420 S454 S455N420-D422 WeakPolarHBondContact OD1-CB 3.32Å; N420-D422 PolarHBondContact OD1-N 3.24Å; D422-S454 PolarHBondContact OD1-OG 3.26Å; D422-S454 VanDerWaalsContact OD1-OG 3.13Å; D422-S455 WeakPolarHBondContact OD2-CB 3.3Å; D422-S455 PolarHBondContact OD2-N 2.9Å; D422-S455 PolarHBondContact OD2-OG 3.14Å
423E87.8Confident93.3Very high88 Ų8836.4 Ų36.441%0.41123%0.229SC..  trans-158.5141.2171178.950.9-117.800109.1V384 M421 M425 L426V384-E423 HydrophobicContact CG1-CB 3.7Å; V384-E423 HydrophobicContact CG1-CG 4.18Å; M421-E423 PolarHBondContact O-N 3.13Å; E423-M425 HydrophobicContact CG-CB 4.49Å; E423-M425 PolarHBondContact O-N 3.31Å; E423-L426 HydrophobicContact CB-CB 4.45Å; E423-L426 HydrophobicContact CB-CD1 4.03Å; E423-L426 HydrophobicContact CB-CG 4.18Å; E423-L426 PolarHBondContact O-N 2.92Å; E423-L426 VanDerWaalsContact O-N 3.08Å
424G81Confident93.7Very high78 Ų7839.9 Ų39.980%0.80423%0.231SC*.THydrogen-bonded Turntrans-64.8-16.7-173.200000114.4
425M83Confident93.9Very high165 Ų16539.7 Ų39.781%0.81323%0.23SC*.THydrogen-bonded Turntrans-97.9-3.2-179.8-59.6-66-62.800113.7E423E423-M425 HydrophobicContact CG-CB 4.49Å; E423-M425 PolarHBondContact O-N 3.31Å
426L86.9Confident93.8Very high38 Ų3836.8 Ų36.820%0.19922%0.217CC..SBendtrans-107147-178.9-68.9177.8000111.6V384 I394 E423 G428V384-L426 HydrophobicContact CG1-CD1 4.28Å; V384-L426 HydrophobicContact CG2-CD1 4.18Å; I394-L426 HydrophobicContact CG2-CD1 3.64Å; I394-L426 HydrophobicContact CG2-CD2 4.3Å; E423-L426 HydrophobicContact CB-CB 4.45Å; E423-L426 HydrophobicContact CB-CD1 4.03Å; E423-L426 HydrophobicContact CB-CG 4.18Å; E423-L426 PolarHBondContact O-N 2.92Å; E423-L426 VanDerWaalsContact O-N 3.08Å; L426-G428 PolarHBondContact O-N 3Å; L426-G428 VanDerWaalsContact O-N 3.14Å
427D92.9Very high93.7Very high109 Ų10937.5 Ų37.558%0.58322%0.22SC*.  trans-77.691.6161.4-177.7-2.2000108.3P429 A430 A431D427-P429 WeakPolarHBondContact OD1-CD 3.34Å; D427-A430 HydrophobicContact CB-CB 4.09Å; D427-A430 PolarHBondContact O-N 2.94Å; D427-A430 WeakPolarHBondContact OD2-CB 3.39Å; D427-A431 WeakPolarHBondContact O-CB 3.33Å; D427-A431 PolarHBondContact O-N 3.29Å
428G93.5Very high93.5Very high11 Ų1138 Ų3811%0.11322%0.222CC..Hα-helixtrans-50.5-55.2-173.500000113.7L426 A430 A431 M432L426-G428 PolarHBondContact O-N 3Å; L426-G428 VanDerWaalsContact O-N 3.14Å; G428-A430 VanDerWaalsContact C-N 3.35Å; G428-A430 PolarHBondContact O-N 3.12Å; G428-A431 PolarHBondContact O-N 2.78Å; G428-M432 WeakPolarHBondContact O-CB 3.37Å; G428-M432 PolarHBondContact O-N 3.16Å
429P95.7Very high93.2Very high40 Ų4038 Ų3826%0.2622%0.223SC..Hα-helixtrans-57.4-44.1179.1-27.836.4000113.3D427 A433 V459 A462D427-P429 WeakPolarHBondContact OD1-CD 3.34Å; P429-A433 WeakPolarHBondContact O-CB 3.16Å; P429-A433 PolarHBondContact O-N 2.97Å; P429-V459 HydrophobicContact CG-CG2 3.99Å; P429-A462 HydrophobicContact CB-CB 4.02Å
430A94.7Very high92.9Very high50 Ų5039.3 Ų39.341%0.41323%0.234SC..Hα-helixtrans-68.6-42179.400000112.2D427 G428 R434D427-A430 HydrophobicContact CB-CB 4.09Å; D427-A430 PolarHBondContact O-N 2.94Å; D427-A430 WeakPolarHBondContact OD2-CB 3.39Å; G428-A430 VanDerWaalsContact C-N 3.35Å; G428-A430 PolarHBondContact O-N 3.12Å; A430-R434 WeakPolarHBondContact O-CB 3.27Å; A430-R434 PolarHBondContact O-N 3.14Å
431A95.8Very high92.3Very high4 Ų441.4 Ų41.43%0.03325%0.249CC..Hα-helixtrans-64.7-42.3178.700000111.9M421 D427 G428 F435M421-A431 HydrophobicContact CB-CB 4.19Å; M421-A431 HydrophobicContact CG-CB 4.29Å; M421-A431 HydrophobicContact SD-CB 4.42Å; D427-A431 WeakPolarHBondContact O-CB 3.33Å; D427-A431 PolarHBondContact O-N 3.29Å; G428-A431 PolarHBondContact O-N 2.78Å; A431-F435 WeakPolarHBondContact O-CB 3.46Å; A431-F435 PolarHBondContact O-N 3.19Å
432M97.4Very high92Very high0 Ų043.6 Ų43.60%026%0.259CS..Hα-helixtrans-62.3-54.8175.9-17661.575.100111.2I419 M421 G428 R434 F435 C436 I452 V459I419-M432 HydrophobicContact CB-SD 4.27Å; I419-M432 HydrophobicContact CG2-CE 4.05Å; I419-M432 HydrophobicContact CG2-SD 3.59Å; I419-M432 VanDerWaalsContact CG2-SD 3.59Å; I419-M432 VanDerWaalsContact O-CE 3.26Å; I419-M432 WeakPolarHBondContact O-CE 3.45Å; M421-M432 HydrophobicContact CB-CE 4.19Å; M421-M432 HydrophobicContact CG-CB 4.34Å; M421-M432 HydrophobicContact CG-CE 4Å; M421-M432 HydrophobicContact CG-SD 4.33Å; G428-M432 WeakPolarHBondContact O-CB 3.37Å; G428-M432 PolarHBondContact O-N 3.16Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 3.27Å; M432-F435 PolarHBondContact O-N 2.9Å; M432-C436 WeakPolarHBondContact O-CB 3.44Å; M432-C436 PolarHBondContact O-N 2.68Å; M432-C436 PolarHBondContact O-SG 3.05Å; M432-C436 VanDerWaalsContact O-SG 3.33Å; M432-I452 HydrophobicContact CE-CG2 4.09Å; M432-I452 HydrophobicContact CG-CG2 4.35Å; M432-I452 HydrophobicContact SD-CG2 4.1Å; M432-V459 HydrophobicContact CB-CG1 3.61Å; M432-V459 HydrophobicContact CE-CG1 3.81Å; M432-V459 HydrophobicContact CG-CG1 3.94Å
433A95.9Very high91.7Very high23 Ų2345.5 Ų45.519%0.1927%0.274CS..Hα-helixtrans-55.6-44.8178.700000111.6P429 N437P429-A433 WeakPolarHBondContact O-CB 3.16Å; P429-A433 PolarHBondContact O-N 2.97Å; A433-N437 WeakPolarHBondContact O-CB 3.1Å; A433-N437 VanDerWaalsContact O-CG 3.24Å; A433-N437 PolarHBondContact O-N 2.99Å
434R95.3Very high91.5Very high108 Ų10844.8 Ų44.841%0.40827%0.273SS..Hα-helixtrans-62.2-48.5179.4-167.9175-160.8-172.20.8112.1D167 Y399 A430 M432 N437 F438D167-R434 HydrophobicContact CB-CG 3.98Å; D167-R434 IonicContact OD2-CZ 3.55Å; D167-R434 VanDerWaalsContact OD2-CZ 3.27Å; D167-R434 IonicContact OD2-NE 3.51Å; D167-R434 PolarHBondContact OD2-NE 2.9Å; D167-R434 IonicContact OD2-NH2 2.78Å; D167-R434 PolarHBondContact OD2-NH2 3.33Å; Y399-R434 HydrophobicContact CD1-CG 4.31Å; Y399-R434 HydrophobicContact CE1-CB 4.25Å; Y399-R434 HydrophobicContact CE1-CG 4.25Å; A430-R434 WeakPolarHBondContact O-CB 3.27Å; A430-R434 PolarHBondContact O-N 3.14Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 3.27Å; R434-N437 PolarHBondContact O-N 2.71Å; R434-F438 HydrophobicContact CG-CD2 4.12Å; R434-F438 HydrophobicContact CG-CE2 3.97Å; R434-F438 VanDerWaalsContact O-CD2 3.28Å; R434-F438 WeakPolarHBondContact O-CD2 3.44Å; R434-F438 PolarHBondContact O-N 2.8Å
435F96.8Very high92Very high0 Ų041.1 Ų41.10%024%0.235CC..Hα-helixtrans-69.6-38.4-179-170-112000112.3C382 F390 I394 Y399 A402 L403 A406 I419 M421 A431 M432 N437 F438 V439C382-F435 HydrophobicContact CB-CE1 4.45Å; F390-F435 HydrophobicContact CE2-CE1 4.04Å; F390-F435 AromaticContact CE2-CE2 3.94Å; F390-F435 HydrophobicContact CE2-CE2 3.94Å; F390-F435 AromaticContact CE2-CZ 3.54Å; F390-F435 HydrophobicContact CE2-CZ 3.54Å; F390-F435 HydrophobicContact CZ-CD1 4.21Å; F390-F435 AromaticContact CZ-CE1 3.75Å; F390-F435 HydrophobicContact CZ-CE1 3.75Å; F390-F435 HydrophobicContact CZ-CE2 4.13Å; F390-F435 AromaticContact CZ-CZ 3.71Å; F390-F435 HydrophobicContact CZ-CZ 3.71Å; I394-F435 HydrophobicContact CD1-CD2 4.23Å; Y399-F435 HydrophobicContact CD1-CB 4.08Å; Y399-F435 AromaticContact CD1-CD2 4Å; Y399-F435 HydrophobicContact CD1-CD2 4Å; Y399-F435 HydrophobicContact CE1-CB 4.19Å; A402-F435 HydrophobicContact CB-CE2 3.86Å; L403-F435 HydrophobicContact CD2-CE2 4.08Å; L403-F435 HydrophobicContact CD2-CZ 4.43Å; A406-F435 HydrophobicContact CB-CZ 4.39Å; I419-F435 HydrophobicContact CD1-CD1 4.04Å; I419-F435 HydrophobicContact CD1-CE1 4.09Å; I419-F435 HydrophobicContact CG1-CD1 4.44Å; I419-F435 HydrophobicContact CG1-CE1 4.26Å; I419-F435 HydrophobicContact CG2-CD1 3.66Å; I419-F435 HydrophobicContact CG2-CE1 4.12Å; M421-F435 HydrophobicContact CE-CB 3.32Å; M421-F435 HydrophobicContact CE-CD1 3.39Å; M421-F435 HydrophobicContact CE-CD2 4.15Å; M421-F435 HydrophobicContact CE-CE1 4.22Å; M421-F435 HydrophobicContact CE-CG 3.35Å; A431-F435 WeakPolarHBondContact O-CB 3.46Å; A431-F435 PolarHBondContact O-N 3.19Å; M432-F435 PolarHBondContact O-N 2.9Å; F435-N437 VanDerWaalsContact C-N 3.3Å; F435-N437 PolarHBondContact O-N 3.49Å; F435-F438 WeakPolarHBondContact O-CB 3.44Å; F435-F438 PolarHBondContact O-N 3.4Å; F435-V439 HydrophobicContact CD1-CG2 4.17Å; F435-V439 HydrophobicContact CE1-CG2 3.92Å; F435-V439 HydrophobicContact CZ-CG2 4.19Å; F435-V439 WeakPolarHBondContact O-CG2 3.26Å; F435-V439 PolarHBondContact O-N 2.85Å
436C96.9Very high92.5Very high3 Ų333.7 Ų33.72%0.0220%0.199CC..Hα-helixtrans-58.2-41.7171.8-71.30000111.8M432 V439 A440 C466M432-C436 WeakPolarHBondContact O-CB 3.44Å; M432-C436 PolarHBondContact O-N 2.68Å; M432-C436 PolarHBondContact O-SG 3.05Å; M432-C436 VanDerWaalsContact O-SG 3.33Å; C436-V439 PolarHBondContact O-N 2.83Å; C436-A440 PolarHBondContact O-N 2.82Å; C436-C466 HydrophobicContact CB-CB 3.68Å
437N94.6Very high92.8Very high16 Ų1636.8 Ų36.89%0.08621%0.208CC..Hα-helixtrans-65.5-36.8175.7-73.7-10.1000113D167 R169 A433 R434 F435 S441 C466D167-N437 PolarHBondContact O-ND2 2.85Å; D167-N437 VanDerWaalsContact O-ND2 3.12Å; R169-N437 PolarHBondContact NH2-O 2.76Å; A433-N437 WeakPolarHBondContact O-CB 3.1Å; A433-N437 VanDerWaalsContact O-CG 3.24Å; A433-N437 PolarHBondContact O-N 2.99Å; R434-N437 PolarHBondContact O-N 2.71Å; F435-N437 VanDerWaalsContact C-N 3.3Å; F435-N437 PolarHBondContact O-N 3.49Å; N437-S441 PolarHBondContact O-N 2.79Å; N437-C466 PolarHBondContact OD1-SG 2.98Å; N437-C466 VanDerWaalsContact OD1-SG 3.42Å
438F93.4Very high93Very high11 Ų1132.3 Ų32.35%0.04819%0.185CC..Hα-helixtrans-64.7-44.6171.6-90.3-73.4000111.4P166 D167 Y399 E400 L403 R434 F435 A440 S441P166-F438 HydrophobicContact CB-CD1 4.37Å; P166-F438 HydrophobicContact CB-CE1 4.43Å; P166-F438 HydrophobicContact CG-CD1 3.82Å; P166-F438 HydrophobicContact CG-CE1 3.46Å; P166-F438 VanDerWaalsContact CG-CE1 3.46Å; P166-F438 HydrophobicContact CG-CZ 4.36Å; D167-F438 HydrophobicContact CB-CD2 3.78Å; D167-F438 HydrophobicContact CB-CE2 3.45Å; D167-F438 VanDerWaalsContact CB-CE2 3.45Å; D167-F438 HydrophobicContact CB-CG 4.42Å; D167-F438 HydrophobicContact CB-CZ 3.85Å; Y399-F438 HydrophobicContact CD1-CD2 4.18Å; Y399-F438 HydrophobicContact CD1-CE2 4.35Å; Y399-F438 HydrophobicContact CG-CD2 4.09Å; Y399-F438 AromaticContact CG-CE2 3.86Å; Y399-F438 HydrophobicContact CG-CE2 3.86Å; E400-F438 HydrophobicContact CG-CD1 4.4Å; E400-F438 HydrophobicContact CG-CE1 3.68Å; E400-F438 HydrophobicContact CG-CZ 4.38Å; L403-F438 HydrophobicContact CD1-CB 4.15Å; L403-F438 HydrophobicContact CD1-CD1 4.11Å; L403-F438 HydrophobicContact CD2-CB 3.91Å; L403-F438 HydrophobicContact CG-CB 4.24Å; R434-F438 HydrophobicContact CG-CD2 4.12Å; R434-F438 HydrophobicContact CG-CE2 3.97Å; R434-F438 VanDerWaalsContact O-CD2 3.28Å; R434-F438 WeakPolarHBondContact O-CD2 3.44Å; R434-F438 PolarHBondContact O-N 2.8Å; F435-F438 WeakPolarHBondContact O-CB 3.44Å; F435-F438 PolarHBondContact O-N 3.4Å; F438-A440 VanDerWaalsContact C-N 3.27Å; F438-A440 PolarHBondContact O-N 3.46Å; F438-S441 WeakPolarHBondContact O-CB 3.39Å; F438-S441 PolarHBondContact O-N 3.22Å; F438-S441 PolarHBondContact O-OG 3.38Å
439V93.7Very high93.2Very high3 Ų331.9 Ų31.92%0.01818%0.181CC..Hα-helixtrans-58.3-42.5177.3166.10000110.8L403 I419 F435 C436 S441 E442 I445 L450L403-V439 HydrophobicContact CD2-CG2 3.9Å; I419-V439 HydrophobicContact CD1-CG2 4.39Å; F435-V439 HydrophobicContact CD1-CG2 4.17Å; F435-V439 HydrophobicContact CE1-CG2 3.92Å; F435-V439 HydrophobicContact CZ-CG2 4.19Å; F435-V439 WeakPolarHBondContact O-CG2 3.26Å; F435-V439 PolarHBondContact O-N 2.85Å; C436-V439 PolarHBondContact O-N 2.83Å; V439-S441 PolarHBondContact O-N 3.13Å; V439-S441 VanDerWaalsContact O-N 3.16Å; V439-E442 PolarHBondContact O-N 3.29Å; V439-I445 HydrophobicContact CB-CG2 4.42Å; V439-I445 HydrophobicContact CG1-CB 4.28Å; V439-I445 HydrophobicContact CG1-CG2 3.61Å; V439-I445 HydrophobicContact CG2-CG2 4.24Å; V439-L450 HydrophobicContact CG1-CD1 4.01Å; V439-L450 HydrophobicContact CG1-CD2 4.07Å
440A90.1Very high93.3Very high29 Ų2930.8 Ų30.824%0.2417%0.172CC..Hα-helixtrans-61.2-21.5176.300000113.9C436 F438C436-A440 PolarHBondContact O-N 2.82Å; F438-A440 VanDerWaalsContact C-N 3.27Å; F438-A440 PolarHBondContact O-N 3.46Å
441S86Confident93.5Very high56 Ų5628.4 Ų28.439%0.39215%0.153SC..Hα-helixtrans-84.1-15.6179.576.70000114.8N437 F438 V439N437-S441 PolarHBondContact O-N 2.79Å; F438-S441 WeakPolarHBondContact O-CB 3.39Å; F438-S441 PolarHBondContact O-N 3.22Å; F438-S441 PolarHBondContact O-OG 3.38Å; V439-S441 PolarHBondContact O-N 3.13Å; V439-S441 VanDerWaalsContact O-N 3.16Å
442E89.4Confident93.6Very high46 Ų4628.2 Ų28.222%0.21515%0.151CC..  trans-111.6103.2-179.7177.271.2-108.300109.5K407 V439 D444 I445 A446 K1004K407-E442 IonicContact NZ-OE1 3.67Å; V439-E442 PolarHBondContact O-N 3.29Å; E442-D444 VanDerWaalsContact C-N 3.28Å; E442-D444 PolarHBondContact O-N 3.34Å; E442-D444 VanDerWaalsContact O-N 3.17Å; E442-I445 HydrophobicContact CB-CD1 3.94Å; E442-I445 HydrophobicContact CB-CG1 4.23Å; E442-I445 HydrophobicContact CG-CB 4.46Å; E442-I445 HydrophobicContact CG-CD1 3.66Å; E442-I445 HydrophobicContact CG-CG1 3.72Å; E442-I445 PolarHBondContact O-N 3.04Å; E442-A446 PolarHBondContact O-N 2.78Å; E442-K1004 IonicContact OE2-NZ 3Å; E442-K1004 PolarHBondContact OE2-NZ 3.19Å
443P85.1Confident93.6Very high78 Ų7829.3 Ų29.351%0.50616%0.157SC..Hα-helixtrans-56.9-35.2-171.6-2835.4000115L364 I445 A446 R447L364-P443 HydrophobicContact CD1-CB 4.42Å; P443-I445 PolarHBondContact O-N 3.33Å; P443-A446 PolarHBondContact O-N 2.9Å; P443-R447 PolarHBondContact O-N 3.23Å
444D83.2Confident93.7Very high73 Ų7328.3 Ų28.339%0.3915%0.149SC..Hα-helixtrans-63.5-27.2179.3-72.5-23.9000112.6K407 E442 R447K407-D444 WeakPolarHBondContact CE-OD2 3.42Å; K407-D444 IonicContact NZ-OD2 3.89Å; K407-D444 PolarHBondContact NZ-OD2 2.68Å; E442-D444 VanDerWaalsContact C-N 3.28Å; E442-D444 PolarHBondContact O-N 3.34Å; E442-D444 VanDerWaalsContact O-N 3.17Å; D444-R447 WeakPolarHBondContact O-CG 3.17Å; D444-R447 PolarHBondContact O-NE 2.99Å
445I92.3Very high93.5Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-91.7-46.1176.2-50.3173.4000109.4L403 A406 K407 L417 V439 E442 P443 R447 V448L403-I445 HydrophobicContact CB-CD1 4Å; L403-I445 HydrophobicContact CD2-CD1 3.89Å; L403-I445 HydrophobicContact CG-CD1 4.48Å; L403-I445 WeakPolarHBondContact O-CD1 3.16Å; A406-I445 HydrophobicContact CB-CD1 3.98Å; A406-I445 HydrophobicContact CB-CG2 3.89Å; K407-I445 HydrophobicContact CB-CD1 4.03Å; K407-I445 HydrophobicContact CB-CG1 3.96Å; L417-I445 HydrophobicContact CD1-CG2 3.46Å; L417-I445 VanDerWaalsContact CD1-CG2 3.46Å; V439-I445 HydrophobicContact CB-CG2 4.42Å; V439-I445 HydrophobicContact CG1-CB 4.28Å; V439-I445 HydrophobicContact CG1-CG2 3.61Å; V439-I445 HydrophobicContact CG2-CG2 4.24Å; E442-I445 HydrophobicContact CB-CD1 3.94Å; E442-I445 HydrophobicContact CB-CG1 4.23Å; E442-I445 HydrophobicContact CG-CB 4.46Å; E442-I445 HydrophobicContact CG-CD1 3.66Å; E442-I445 HydrophobicContact CG-CG1 3.72Å; E442-I445 PolarHBondContact O-N 3.04Å; P443-I445 PolarHBondContact O-N 3.33Å; I445-R447 PolarHBondContact O-N 3.48Å; I445-R447 VanDerWaalsContact O-N 3.1Å; I445-V448 WeakPolarHBondContact O-CG2 3.35Å; I445-V448 PolarHBondContact O-N 2.78Å
446A92.7Very high93.4Very high9 Ų931.8 Ų31.87%0.07418%0.183CC..Hα-helixtrans-62.2-20.5-177.300000113.6G363 L364 E442 P443 V448G363-A446 CarbonylContact C-O 3.54Å; G363-A446 VanDerWaalsContact CA-O 3.28Å; G363-A446 WeakPolarHBondContact CA-O 3.28Å; L364-A446 HydrophobicContact CD1-CB 3.76Å; L364-A446 HydrophobicContact CG-CB 3.82Å; L364-A446 PolarHBondContact N-O 2.89Å; E442-A446 PolarHBondContact O-N 2.78Å; P443-A446 PolarHBondContact O-N 2.9Å; A446-V448 VanDerWaalsContact C-N 3.3Å; A446-V448 PolarHBondContact O-N 3.08Å
447R94.1Very high93.3Very high103 Ų10333.2 Ų33.239%0.38919%0.189SC..THydrogen-bonded Turntrans-61.4-33.4176.774.7-175.4-179.9153.64.3113.8E365 P443 D444 I445E365-R447 HydrophobicContact CG-CB 4.49Å; E365-R447 PolarHBondContact N-O 2.83Å; P443-R447 PolarHBondContact O-N 3.23Å; D444-R447 WeakPolarHBondContact O-CG 3.17Å; D444-R447 PolarHBondContact O-NE 2.99Å; I445-R447 PolarHBondContact O-N 3.48Å; I445-R447 VanDerWaalsContact O-N 3.1Å
448V96.4Very high93.4Very high16 Ų1634.9 Ų34.910%0.09720%0.202CC..SBendtrans-89.5150.4-179.2-64.10000111.7V410 Q415 L417 I445 A446V410-V448 HydrophobicContact CG1-CG1 4.15Å; V410-V448 HydrophobicContact CG2-CG1 4.34Å; V410-V448 HydrophobicContact CG2-CG2 3.69Å; Q415-V448 WeakPolarHBondContact O-CB 3.42Å; L417-V448 HydrophobicContact CD1-CG2 3.94Å; L417-V448 HydrophobicContact CG-CG2 3.99Å; I445-V448 WeakPolarHBondContact O-CG2 3.35Å; I445-V448 PolarHBondContact O-N 2.78Å; A446-V448 VanDerWaalsContact C-N 3.3Å; A446-V448 PolarHBondContact O-N 3.08Å
449P98.1Very high93.6Very high2 Ų234.5 Ų34.51%0.01320%0.201CC..  trans-64156.1172.5-17.129.8000112.5L361 F367 Q415 V416 L417L361-P449 HydrophobicContact CB-CB 3.84Å; L361-P449 HydrophobicContact CB-CG 3.55Å; L361-P449 HydrophobicContact CD1-CB 4.35Å; L361-P449 HydrophobicContact CD1-CG 4.42Å; F367-P449 HydrophobicContact CB-CG 3.75Å; F367-P449 HydrophobicContact CD1-CG 4.32Å; F367-P449 HydrophobicContact CG-CG 4.43Å; Q415-P449 WeakPolarHBondContact O-CD 3.09Å; V416-P449 WeakPolarHBondContact CA-O 3.43Å; V416-P449 HydrophobicContact CG1-CB 4.46Å; V416-P449 WeakPolarHBondContact CG1-O 3.38Å; V416-P449 HydrophobicContact CG2-CB 4.39Å; V416-P449 HydrophobicContact CG2-CG 4.41Å; L417-P449 PolarHBondContact N-O 2.75Å; L417-P449 VanDerWaalsContact N-O 3.12Å
450L98.4Very high93.8Very high16 Ų1634.3 Ų34.38%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-106.9138.7176.3-54.4-177.5000110.9L417 I419 V439 I452 C471 V472L417-L450 HydrophobicContact CB-CD2 4.03Å; L417-L450 HydrophobicContact CD1-CD2 4.45Å; I419-L450 HydrophobicContact CD1-CB 4.49Å; I419-L450 HydrophobicContact CD1-CD1 3.93Å; I419-L450 HydrophobicContact CD1-CD2 4.01Å; I419-L450 HydrophobicContact CD1-CG 4.36Å; V439-L450 HydrophobicContact CG1-CD1 4.01Å; V439-L450 HydrophobicContact CG1-CD2 4.07Å; L450-I452 HydrophobicContact CB-CD1 3.98Å; L450-C471 VanDerWaalsContact O-CA 3.3Å; L450-C471 WeakPolarHBondContact O-CA 3.43Å; L450-C471 VanDerWaalsContact O-CB 3.23Å; L450-C471 WeakPolarHBondContact O-CB 3.42Å; L450-V472 PolarHBondContact O-N 3.47Å
451C98.5Very high94.2Very high1 Ų135.7 Ų35.71%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-102.4105.4168179.10000107.2I378 V416 L417 D418 I419 D453 V472 N474I378-C451 HydrophobicContact CG2-CB 4.02Å; V416-C451 HydrophobicContact CG1-CB 3.87Å; L417-C451 PolarHBondContact O-N 3.2Å; D418-C451 WeakPolarHBondContact CA-O 3.22Å; D418-C451 HydrophobicContact CB-CB 4.42Å; D418-C451 PolarHBondContact OD1-SG 3.04Å; I419-C451 PolarHBondContact N-O 2.88Å; C451-D453 PolarHBondContact O-N 3.06Å; C451-V472 CarbonylContact C-O 3.27Å; C451-V472 WeakPolarHBondContact CA-O 3.31Å; C451-V472 HydrophobicContact CB-CB 4.16Å; C451-N474 VanDerWaalsContact SG-CB 3.54Å
452I98.4Very high94.7Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-83.8108.2-177-52.3-56.8000107.3M432 L450 I460 C471 V472 N474M432-I452 HydrophobicContact CE-CG2 4.09Å; M432-I452 HydrophobicContact CG-CG2 4.35Å; M432-I452 HydrophobicContact SD-CG2 4.1Å; L450-I452 HydrophobicContact CB-CD1 3.98Å; I452-I460 HydrophobicContact CB-CD1 4.48Å; I452-I460 HydrophobicContact CG2-CD1 4Å; I452-I460 WeakPolarHBondContact O-CD1 3.23Å; I452-C471 HydrophobicContact CG1-CB 4.41Å; I452-V472 PolarHBondContact N-O 2.93Å; I452-N474 PolarHBondContact O-N 3.16Å
453D97.4Very high95.1Very high23 Ų2331.6 Ų31.612%0.12318%0.179CC..EExtended strand (participates in β ladder)trans-106.8121.8-174-177.821000112.3D418 I419 N420 C451 N474D418-D453 WeakPolarHBondContact OD1-CB 3.33Å; I419-D453 WeakPolarHBondContact O-CA 3.14Å; I419-D453 PolarHBondContact O-N 3.08Å; N420-D453 WeakPolarHBondContact CA-O 3.23Å; N420-D453 HydrophobicContact CB-CB 3.94Å; N420-D453 PolarHBondContact ND2-OD2 2.86Å; C451-D453 PolarHBondContact O-N 3.06Å; D453-N474 CarbonylContact C-O 3.6Å; D453-N474 WeakPolarHBondContact CA-O 3.06Å; D453-N474 HydrophobicContact CB-CB 4.1Å
454S96.3Very high95.7Very high2 Ų228 Ų281%0.01416%0.155CC..  trans-167.5143175.1167.90000111.9D422 N456 V459 N474D422-S454 PolarHBondContact OD1-OG 3.26Å; D422-S454 VanDerWaalsContact OD1-OG 3.13Å; S454-N456 VanDerWaalsContact C-N 3.31Å; S454-N456 WeakPolarHBondContact OG-CA 3.32Å; S454-N456 PolarHBondContact OG-N 3.4Å; S454-N456 PolarHBondContact OG-O 3.06Å; S454-V459 VanDerWaalsContact OG-CB 3.31Å; S454-V459 WeakPolarHBondContact OG-CB 3.49Å; S454-N474 PolarHBondContact N-O 3.28Å
455S91.8Very high96.4Very high103 Ų10326.2 Ų26.272%0.7214%0.144SC*.SBendtrans-74.5-21.1168.461.50000113.4D422D422-S455 WeakPolarHBondContact OD2-CB 3.3Å; D422-S455 PolarHBondContact OD2-N 2.9Å; D422-S455 PolarHBondContact OD2-OG 3.14Å
456N94.8Very high96.6Very high78 Ų7827.3 Ų27.342%0.41715%0.151SC..SBendtrans-100.7119176.4-178.8-5.6000111.2S454 S458 V459 I460S454-N456 VanDerWaalsContact C-N 3.31Å; S454-N456 WeakPolarHBondContact OG-CA 3.32Å; S454-N456 PolarHBondContact OG-N 3.4Å; S454-N456 PolarHBondContact OG-O 3.06Å; N456-S458 VanDerWaalsContact C-N 3.26Å; N456-S458 PolarHBondContact ND2-OG 2.65Å; N456-S458 PolarHBondContact O-N 3.22Å; N456-S458 PolarHBondContact OD1-N 3.03Å; N456-S458 PolarHBondContact OD1-OG 3.31Å; N456-V459 HydrophobicContact CB-CG2 3.94Å; N456-V459 WeakPolarHBondContact O-CB 3.3Å; N456-V459 PolarHBondContact O-N 3Å; N456-V459 VanDerWaalsContact O-N 3.07Å; N456-I460 PolarHBondContact O-N 2.86Å
457F95.8Very high96.7Very high32 Ų3227.3 Ų27.314%0.1415%0.15CC..Hα-helixtrans-62.7-27.7-177.6-164.7-102.6000113.8V459 I460 E461 I476 R488 T491 V492F457-V459 PolarHBondContact O-N 3.38Å; F457-I460 HydrophobicContact CD2-CB 4.4Å; F457-I460 HydrophobicContact CE2-CG2 4.41Å; F457-I460 WeakPolarHBondContact O-CB 3.4Å; F457-I460 PolarHBondContact O-N 3.46Å; F457-E461 PolarHBondContact O-N 2.81Å; F457-I476 HydrophobicContact CD2-CG2 4.43Å; F457-I476 HydrophobicContact CE2-CG2 4.21Å; F457-R488 HydrophobicContact CD1-CG 4.16Å; F457-R488 HydrophobicContact CD2-CB 4.05Å; F457-R488 HydrophobicContact CD2-CG 3.75Å; F457-R488 HydrophobicContact CE1-CB 4.48Å; F457-R488 HydrophobicContact CE1-CG 4.19Å; F457-R488 HydrophobicContact CE2-CB 3.6Å; F457-R488 HydrophobicContact CE2-CG 3.79Å; F457-R488 HydrophobicContact CG-CG 3.95Å; F457-R488 HydrophobicContact CZ-CB 3.84Å; F457-R488 HydrophobicContact CZ-CG 4Å; F457-T491 HydrophobicContact CE1-CG2 4.01Å; F457-T491 HydrophobicContact CZ-CG2 4.06Å; F457-V492 HydrophobicContact CE2-CG2 4Å; F457-V492 HydrophobicContact CZ-CG2 4.14Å
458S96.6Very high96.7Very high52 Ų5223.1 Ų23.136%0.36414%0.135SC..Hα-helixtrans-66.4-28.6176.669.50000112.5N456 A462N456-S458 VanDerWaalsContact C-N 3.26Å; N456-S458 PolarHBondContact ND2-OG 2.65Å; N456-S458 PolarHBondContact O-N 3.22Å; N456-S458 PolarHBondContact OD1-N 3.03Å; N456-S458 PolarHBondContact OD1-OG 3.31Å; S458-A462 WeakPolarHBondContact O-CB 3.27Å; S458-A462 PolarHBondContact O-N 3.37Å; S458-A462 VanDerWaalsContact O-N 3.09Å
459V97.5Very high96.7Very high2 Ų222.5 Ų22.51%0.01213%0.133CC..Hα-helixtrans-73.4-41.4174.9-176.30000110.2P429 M432 S454 N456 F457 E461 A462 G463P429-V459 HydrophobicContact CG-CG2 3.99Å; M432-V459 HydrophobicContact CB-CG1 3.61Å; M432-V459 HydrophobicContact CE-CG1 3.81Å; M432-V459 HydrophobicContact CG-CG1 3.94Å; S454-V459 VanDerWaalsContact OG-CB 3.31Å; S454-V459 WeakPolarHBondContact OG-CB 3.49Å; N456-V459 HydrophobicContact CB-CG2 3.94Å; N456-V459 WeakPolarHBondContact O-CB 3.3Å; N456-V459 PolarHBondContact O-N 3Å; N456-V459 VanDerWaalsContact O-N 3.07Å; F457-V459 PolarHBondContact O-N 3.38Å; V459-E461 VanDerWaalsContact C-N 3.32Å; V459-E461 PolarHBondContact O-N 2.77Å; V459-A462 PolarHBondContact O-N 2.89Å; V459-G463 PolarHBondContact O-N 3.16Å
460I97.6Very high96.7Very high0 Ų023.3 Ų23.30%014%0.136CC..Hα-helixtrans-56-50.4173.2-60.8-62.5000109.9I452 N456 F457 A462 G463 L464 V473 N474I452-I460 HydrophobicContact CB-CD1 4.48Å; I452-I460 HydrophobicContact CG2-CD1 4Å; I452-I460 WeakPolarHBondContact O-CD1 3.23Å; N456-I460 PolarHBondContact O-N 2.86Å; F457-I460 HydrophobicContact CD2-CB 4.4Å; F457-I460 HydrophobicContact CE2-CG2 4.41Å; F457-I460 WeakPolarHBondContact O-CB 3.4Å; F457-I460 PolarHBondContact O-N 3.46Å; I460-A462 VanDerWaalsContact C-N 3.32Å; I460-A462 PolarHBondContact O-N 3.43Å; I460-G463 PolarHBondContact O-N 3.41Å; I460-L464 HydrophobicContact CG2-CD1 3.93Å; I460-L464 HydrophobicContact CG2-CG 4.3Å; I460-L464 WeakPolarHBondContact O-CG 3.45Å; I460-L464 PolarHBondContact O-N 2.87Å; I460-V473 HydrophobicContact CD1-CG1 4.37Å; I460-V473 HydrophobicContact CG2-CB 4.29Å; I460-V473 HydrophobicContact CG2-CG1 3.56Å; I460-V473 HydrophobicContact CG2-CG2 3.84Å; I460-N474 WeakPolarHBondContact CD1-O 3.47Å
461E97.6Very high96.7Very high58 Ų5822.8 Ų22.827%0.27113%0.133SC..Hα-helixtrans-61.4-41.1180-167.6-178.8172.400111.7F457 V459 G463 L464 K465 Y495F457-E461 PolarHBondContact O-N 2.81Å; V459-E461 VanDerWaalsContact C-N 3.32Å; V459-E461 PolarHBondContact O-N 2.77Å; E461-G463 PolarHBondContact O-N 3.29Å; E461-L464 PolarHBondContact O-N 2.84Å; E461-K465 HydrophobicContact CG-CD 4.38Å; E461-K465 WeakPolarHBondContact O-CB 3.45Å; E461-K465 VanDerWaalsContact O-CG 3.26Å; E461-K465 WeakPolarHBondContact O-CG 3.41Å; E461-K465 PolarHBondContact O-N 2.9Å; E461-K465 WeakPolarHBondContact OE1-CE 3.18Å; E461-K465 IonicContact OE1-NZ 3.58Å; E461-K465 PolarHBondContact OE1-NZ 2.82Å; E461-Y495 HydrophobicContact CG-CE2 3.95Å; E461-Y495 PolarHBondContact OE1-OH 2.66Å
462A97.4Very high96.7Very high16 Ų1622.8 Ų22.813%0.13213%0.133CC..Hα-helixtrans-60.9-42174.700000112.4P429 S458 V459 I460 C466P429-A462 HydrophobicContact CB-CB 4.02Å; S458-A462 WeakPolarHBondContact O-CB 3.27Å; S458-A462 PolarHBondContact O-N 3.37Å; S458-A462 VanDerWaalsContact O-N 3.09Å; V459-A462 PolarHBondContact O-N 2.89Å; I460-A462 VanDerWaalsContact C-N 3.32Å; I460-A462 PolarHBondContact O-N 3.43Å; A462-C466 PolarHBondContact O-N 2.95Å
463G97.1Very high96.7Very high0 Ų022.8 Ų22.80%013%0.133CC..Hα-helixtrans-63.9-47.6174.300000112.5V459 I460 E461 K465 C466 C467V459-G463 PolarHBondContact O-N 3.16Å; I460-G463 PolarHBondContact O-N 3.41Å; E461-G463 PolarHBondContact O-N 3.29Å; G463-K465 VanDerWaalsContact C-N 3.29Å; G463-K465 PolarHBondContact O-N 2.84Å; G463-C466 PolarHBondContact O-N 3.48Å; G463-C467 PolarHBondContact O-N 3.42Å; G463-C467 PolarHBondContact O-SG 2.85Å
464L97.6Very high96.7Very high2 Ų222.1 Ų22.11%0.0113%0.13CC..Hα-helixtrans-59-38.6179.3-71.2174.6000112.8I460 E461 C466 C467 C471 V473 Y495 A497I460-L464 HydrophobicContact CG2-CD1 3.93Å; I460-L464 HydrophobicContact CG2-CG 4.3Å; I460-L464 WeakPolarHBondContact O-CG 3.45Å; I460-L464 PolarHBondContact O-N 2.87Å; E461-L464 PolarHBondContact O-N 2.84Å; L464-C466 PolarHBondContact O-N 3.09Å; L464-C467 PolarHBondContact O-N 3.22Å; L464-C471 HydrophobicContact CD2-CB 4.28Å; L464-V473 HydrophobicContact CD1-CG2 3.86Å; L464-V473 HydrophobicContact CD2-CG2 3.86Å; L464-V473 HydrophobicContact CG-CG2 4.21Å; L464-Y495 HydrophobicContact CB-CD1 4.07Å; L464-Y495 HydrophobicContact CB-CD2 4.34Å; L464-Y495 HydrophobicContact CB-CE1 4.47Å; L464-Y495 HydrophobicContact CB-CG 4.02Å; L464-Y495 HydrophobicContact CD1-CD2 3.78Å; L464-Y495 HydrophobicContact CD1-CG 3.98Å; L464-A497 HydrophobicContact CD2-CB 3.67Å
465K97.5Very high96.5Very high36 Ų3623 Ų2316%0.15714%0.136CC..Hα-helixtrans-63.3-26.3175.3-74.6173.3177179.10113.2F173 D174 E461 G463 Y495F173-K465 HydrophobicContact CB-CB 3.75Å; F173-K465 HydrophobicContact CB-CD 4.34Å; F173-K465 HydrophobicContact CB-CG 3.86Å; F173-K465 HydrophobicContact CD1-CD 4.44Å; F173-K465 HydrophobicContact CD1-CG 3.8Å; F173-K465 HydrophobicContact CG-CB 4.04Å; F173-K465 HydrophobicContact CG-CG 3.85Å; D174-K465 WeakPolarHBondContact OD1-CE 3.24Å; D174-K465 IonicContact OD1-NZ 3.84Å; D174-K465 PolarHBondContact OD1-NZ 3.1Å; D174-K465 WeakPolarHBondContact OD2-CE 3.24Å; D174-K465 IonicContact OD2-NZ 3.46Å; D174-K465 PolarHBondContact OD2-NZ 3.24Å; E461-K465 HydrophobicContact CG-CD 4.38Å; E461-K465 WeakPolarHBondContact O-CB 3.45Å; E461-K465 VanDerWaalsContact O-CG 3.26Å; E461-K465 WeakPolarHBondContact O-CG 3.41Å; E461-K465 PolarHBondContact O-N 2.9Å; E461-K465 WeakPolarHBondContact OE1-CE 3.18Å; E461-K465 IonicContact OE1-NZ 3.58Å; E461-K465 PolarHBondContact OE1-NZ 2.82Å; G463-K465 VanDerWaalsContact C-N 3.29Å; G463-K465 PolarHBondContact O-N 2.84Å; K465-Y495 WeakPolarHBondContact CE-OH 3.4Å; K465-Y495 HydrophobicContact CG-CE1 3.95Å
466C96.7Very high96.8Very high22 Ų2218.2 Ų18.215%0.14910%0.102CC..Hα-helixtrans-94.7-7.6-179.3-720000114C436 N437 A462 G463 L464C436-C466 HydrophobicContact CB-CB 3.68Å; N437-C466 PolarHBondContact OD1-SG 2.98Å; N437-C466 VanDerWaalsContact OD1-SG 3.42Å; A462-C466 PolarHBondContact O-N 2.95Å; G463-C466 PolarHBondContact O-N 3.48Å; L464-C466 PolarHBondContact O-N 3.09Å
467C95.6Very high96.9Very high9 Ų915.3 Ų15.36%0.0619%0.088CC..  trans-101.3119.6-176-65.90000112.9K207 G463 L464 C471K207-C467 PolarHBondContact NZ-O 2.89Å; G463-C467 PolarHBondContact O-N 3.42Å; G463-C467 PolarHBondContact O-SG 2.85Å; L464-C467 PolarHBondContact O-N 3.22Å; C467-C471 WeakPolarHBondContact CB-SG 3.37Å
468Q93.9Very high96.9Very high15 Ų1513.9 Ų13.97%0.078%0.082CC..SBendtrans-72.5-33.7176.469.5177.9-49.100113.5A204 K207 S241A204-Q468 HydrophobicContact CB-CB 4.1Å; K207-Q468 WeakPolarHBondContact CD-O 3.41Å; S241-Q468 VanDerWaalsContact CB-OE1 3.27Å; S241-Q468 PolarHBondContact O-NE2 2.98Å; S241-Q468 PolarHBondContact OG-OE1 3.37Å
469G95.8Very high96.7Very high4 Ų417.3 Ų17.34%0.0419%0.09CC..SBendtrans-82.3-177.8179.700000114.2K207 S362K207-G469 PolarHBondContact NZ-O 3.37Å; S362-G469 CarbonylContact O-C 3.46Å; S362-G469 VanDerWaalsContact O-CA 3.32Å; S362-G469 WeakPolarHBondContact O-CA 3.46Å; S362-G469 WeakPolarHBondContact OG-CA 3.46Å
470K98.1Very high96.5Very high19 Ų1923.1 Ų23.18%0.08312%0.117CC..  trans-88.7108.3171.1175.8159.7175.3-166.20109.6V250 L360 L361 S362 G496 D537V250-K470 HydrophobicContact CG1-CB 4.02Å; V250-K470 HydrophobicContact CG1-CD 4.17Å; L360-K470 WeakPolarHBondContact O-CD 3.34Å; L360-K470 WeakPolarHBondContact O-CE 3.47Å; L360-K470 PolarHBondContact O-NZ 3.23Å; L361-K470 HydrophobicContact CD2-CG 4.3Å; S362-K470 PolarHBondContact N-O 3.07Å; S362-K470 VanDerWaalsContact N-O 3.08Å; S362-K470 PolarHBondContact O-N 3.17Å; S362-K470 PolarHBondContact OG-N 3.21Å; K470-G496 VanDerWaalsContact CD-O 3.28Å; K470-G496 WeakPolarHBondContact CD-O 3.49Å; K470-G496 VanDerWaalsContact CG-O 3.25Å; K470-G496 WeakPolarHBondContact CG-O 3.43Å; K470-D537 WeakPolarHBondContact CE-OD1 3.28Å; K470-D537 IonicContact NZ-OD1 3.37Å; K470-D537 PolarHBondContact NZ-OD1 3.5Å; K470-D537 IonicContact NZ-OD2 3.52Å; K470-D537 PolarHBondContact NZ-OD2 3.1Å
471C97.9Very high96.4Very high4 Ų423.7 Ų23.73%0.02712%0.124CC..PPolyproline II helixtrans-91.5171.7-177-63.90000112.8L450 I452 L464 C467 A497 A498L450-C471 VanDerWaalsContact O-CA 3.3Å; L450-C471 WeakPolarHBondContact O-CA 3.43Å; L450-C471 VanDerWaalsContact O-CB 3.23Å; L450-C471 WeakPolarHBondContact O-CB 3.42Å; I452-C471 HydrophobicContact CG1-CB 4.41Å; L464-C471 HydrophobicContact CD2-CB 4.28Å; C467-C471 WeakPolarHBondContact CB-SG 3.37Å; C471-A497 WeakPolarHBondContact O-CA 3.28Å; C471-A497 WeakPolarHBondContact O-CB 3.44Å; C471-A498 PolarHBondContact O-N 3.34Å
472V98.6Very high96.3Very high2 Ų223.8 Ų23.81%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-103.4133.4165.1179.90000108.6L361 L450 C451 I452 A498 V500 I539L361-V472 HydrophobicContact CD1-CG2 3.67Å; L361-V472 HydrophobicContact CD2-CG2 3.68Å; L361-V472 HydrophobicContact CG-CG2 4.35Å; L450-V472 PolarHBondContact O-N 3.47Å; C451-V472 CarbonylContact C-O 3.27Å; C451-V472 WeakPolarHBondContact CA-O 3.31Å; C451-V472 HydrophobicContact CB-CB 4.16Å; I452-V472 PolarHBondContact N-O 2.93Å; V472-A498 CarbonylContact C-O 3.5Å; V472-A498 HydrophobicContact CG2-CB 4.32Å; V472-V500 HydrophobicContact CG1-CG2 3.6Å; V472-I539 HydrophobicContact CG1-CD1 3.87Å; V472-I539 HydrophobicContact CG2-CD1 4.26Å
473V98.5Very high96.1Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-94123.5171.5168.40000109.3I460 L464 V492 A497 A498 V499 V500I460-V473 HydrophobicContact CD1-CG1 4.37Å; I460-V473 HydrophobicContact CG2-CB 4.29Å; I460-V473 HydrophobicContact CG2-CG1 3.56Å; I460-V473 HydrophobicContact CG2-CG2 3.84Å; L464-V473 HydrophobicContact CD1-CG2 3.86Å; L464-V473 HydrophobicContact CD2-CG2 3.86Å; L464-V473 HydrophobicContact CG-CG2 4.21Å; V473-V492 HydrophobicContact CB-CG1 4.25Å; V473-V492 HydrophobicContact CB-CG2 4.37Å; V473-V492 HydrophobicContact CG1-CG2 4.12Å; V473-V492 HydrophobicContact CG2-CG1 3.83Å; V473-V492 HydrophobicContact CG2-CG2 4.03Å; V473-A497 HydrophobicContact CG2-CB 4Å; V473-A498 PolarHBondContact N-O 3.23Å; V473-V499 HydrophobicContact CB-CG2 4.44Å; V473-V499 HydrophobicContact CG1-CG2 4.46Å; V473-V500 WeakPolarHBondContact O-CB 3.45Å; V473-V500 PolarHBondContact O-N 3.33Å
474N97.2Very high96Very high9 Ų932.6 Ų32.65%0.04816%0.163CC..EExtended strand (participates in β ladder)trans-122.8102176.7-175.918.8000109.3D418 C451 I452 D453 S454 I460 V500 I615D418-N474 PolarHBondContact OD1-ND2 3.44Å; C451-N474 VanDerWaalsContact SG-CB 3.54Å; I452-N474 PolarHBondContact O-N 3.16Å; D453-N474 CarbonylContact C-O 3.6Å; D453-N474 WeakPolarHBondContact CA-O 3.06Å; D453-N474 HydrophobicContact CB-CB 4.1Å; S454-N474 PolarHBondContact N-O 3.28Å; I460-N474 WeakPolarHBondContact CD1-O 3.47Å; N474-V500 HydrophobicContact CB-CB 4.42Å; N474-V500 HydrophobicContact CB-CG2 4.27Å; N474-I615 VanDerWaalsContact ND2-CD1 3.31Å; N474-I615 WeakPolarHBondContact ND2-CD1 3.26Å
475S93.8Very high96Very high20 Ų2032.5 Ų32.514%0.1416%0.163CC..EExtended strand (participates in β ladder)cis-150.3173.71.747.50000110.4V500 M502S475-V500 WeakPolarHBondContact CA-O 3.42Å; S475-V500 VanDerWaalsContact CB-O 3.24Å; S475-V500 WeakPolarHBondContact CB-O 3.37Å; S475-M502 WeakPolarHBondContact OG-CG 3.39Å
476I96.9Very high95.9Very high2 Ų231.4 Ų31.41%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-117.8160.6166.263.1171.5000109.9F457 F485 R488 A489 V499 V500 V501 M502F457-I476 HydrophobicContact CD2-CG2 4.43Å; F457-I476 HydrophobicContact CE2-CG2 4.21Å; I476-F485 HydrophobicContact CB-CD2 4.38Å; I476-F485 HydrophobicContact CB-CE2 4.47Å; I476-F485 HydrophobicContact CD1-CD2 3.83Å; I476-F485 HydrophobicContact CD1-CE2 3.45Å; I476-F485 VanDerWaalsContact CD1-CE2 3.45Å; I476-F485 HydrophobicContact CD1-CZ 4.13Å; I476-F485 HydrophobicContact CG1-CD2 4.09Å; I476-F485 HydrophobicContact CG1-CE2 3.72Å; I476-R488 HydrophobicContact CG2-CB 3.94Å; I476-A489 HydrophobicContact CD1-CB 4.01Å; I476-V499 HydrophobicContact CD1-CG2 3.61Å; I476-V499 HydrophobicContact CG1-CG2 3.56Å; I476-V500 PolarHBondContact N-O 3.18Å; I476-V501 HydrophobicContact CD1-CG2 4.48Å; I476-V501 HydrophobicContact CG1-CG2 4.19Å; I476-V501 WeakPolarHBondContact O-CA 3.29Å; I476-M502 PolarHBondContact O-N 2.93Å
477S96.3Very high95.8Very high18 Ų1833.6 Ų33.613%0.12617%0.169CC..  trans-153.9172.6179.770.40000111.3K479 F485 F504S477-K479 VanDerWaalsContact C-N 3.28Å; S477-K479 WeakPolarHBondContact OG-CB 3.44Å; S477-K479 PolarHBondContact OG-N 3.02Å; S477-F485 WeakPolarHBondContact O-CD2 3.45Å; S477-F504 WeakPolarHBondContact CB-O 3.44Å
478L96.1Very high95.9Very high1 Ų134.9 Ų34.91%0.00517%0.172CC..SBendtrans-87.56.6176.8-75.6164.8000112.9E480 G481 F485 F504 D505 I519 R522 A523 L526L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.45Å; L478-G481 WeakPolarHBondContact O-CA 3.16Å; L478-G481 PolarHBondContact O-N 3.33Å; L478-F485 HydrophobicContact CD2-CB 3.84Å; L478-F485 HydrophobicContact CD2-CD1 3.89Å; L478-F485 HydrophobicContact CD2-CD2 4.42Å; L478-F485 HydrophobicContact CD2-CG 3.8Å; L478-F485 HydrophobicContact CG-CD2 4.44Å; L478-F485 HydrophobicContact CG-CG 4.29Å; L478-F504 PolarHBondContact N-O 3.32Å; L478-D505 HydrophobicContact CB-CB 3.64Å; L478-I519 HydrophobicContact CD1-CG2 4.33Å; L478-R522 HydrophobicContact CD1-CB 4.48Å; L478-R522 HydrophobicContact CD1-CG 4.05Å; L478-A523 HydrophobicContact CD1-CB 4.27Å; L478-L526 HydrophobicContact CD2-CD1 3.88Å
479K93.6Very high96Very high124 Ų12434.2 Ų34.254%0.53917%0.169SC..THydrogen-bonded Turntrans-53.4-41-175.8-179.6-177.4174.8-171.90114.1S477 G481 F504S477-K479 VanDerWaalsContact C-N 3.28Å; S477-K479 WeakPolarHBondContact OG-CB 3.44Å; S477-K479 PolarHBondContact OG-N 3.02Å; K479-G481 VanDerWaalsContact C-N 3.29Å; K479-F504 HydrophobicContact CB-CD1 3.8Å; K479-F504 HydrophobicContact CB-CE1 4.13Å; K479-F504 HydrophobicContact CD-CD1 4.2Å; K479-F504 HydrophobicContact CD-CE1 3.85Å; K479-F504 HydrophobicContact CD-CZ 4.16Å; K479-F504 HydrophobicContact CG-CD1 3.96Å; K479-F504 HydrophobicContact CG-CE1 3.74Å
480E93.4Very high95.9Very high124 Ų12435.4 Ų35.458%0.57918%0.179SC*.THydrogen-bonded Turntrans-93.211.4179.8-66.2178.5-142.800112.5L478 D484 R488L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.45Å; E480-D484 HydrophobicContact CB-CB 4.07Å; E480-R488 IonicContact OE1-CZ 3.18Å; E480-R488 IonicContact OE1-NH1 2.69Å; E480-R488 IonicContact OE1-NH2 2.8Å; E480-R488 PolarHBondContact OE1-NH2 3.39Å; E480-R488 IonicContact OE2-NH2 2.78Å; E480-R488 PolarHBondContact OE2-NH2 3.49Å
481G93.8Very high95.7Very high13 Ų1335.3 Ų35.313%0.13418%0.18CC..  trans90.3170-178.900000114.3L478 K479 Q483 F485L478-G481 WeakPolarHBondContact O-CA 3.16Å; L478-G481 PolarHBondContact O-N 3.33Å; K479-G481 VanDerWaalsContact C-N 3.29Å; G481-Q483 PolarHBondContact O-N 2.92Å; G481-F485 PolarHBondContact O-N 3.27Å
482E95.8Very high95.7Very high60 Ų6035.1 Ų35.128%0.2818%0.178SC..Hα-helixtrans-61.1-38-173.7-178.9178.3139.100114.1F485 L486 L526 K530E482-F485 PolarHBondContact O-N 2.8Å; E482-L486 HydrophobicContact CG-CD1 3.85Å; E482-L486 HydrophobicContact CG-CG 4.21Å; E482-L486 WeakPolarHBondContact O-CB 3.49Å; E482-L486 VanDerWaalsContact O-CG 3.28Å; E482-L486 WeakPolarHBondContact O-CG 3.39Å; E482-L486 PolarHBondContact O-N 3.08Å; E482-L526 VanDerWaalsContact CD-CD2 3.46Å; E482-L526 HydrophobicContact CG-CD1 3.9Å; E482-L526 HydrophobicContact CG-CD2 3.91Å; E482-L526 WeakPolarHBondContact OE1-CD2 3.48Å; E482-K530 IonicContact OE1-NZ 3.59Å; E482-K530 PolarHBondContact OE1-NZ 3.11Å
483Q94.8Very high95.5Very high164 Ų16438.4 Ų38.477%0.76619%0.192SC*.Hα-helixtrans-65.8-44.5-175.1-71.9-175.4-2.800112.3G481 L486 L487G481-Q483 PolarHBondContact O-N 2.92Å; Q483-L486 PolarHBondContact O-N 3.18Å; Q483-L487 WeakPolarHBondContact O-CB 3.22Å; Q483-L487 PolarHBondContact O-N 3.44Å
484D94.9Very high95.3Very high36 Ų3639.3 Ų39.319%0.19320%0.196CC..Hα-helixtrans-66.8-42.6177.6174.875.7000110.9E480 L486 L487 R488E480-D484 HydrophobicContact CB-CB 4.07Å; D484-L486 PolarHBondContact O-N 3.11Å; D484-L487 PolarHBondContact O-N 2.99Å; D484-R488 VanDerWaalsContact CG-NE 3.26Å; D484-R488 WeakPolarHBondContact O-CG 3.47Å; D484-R488 PolarHBondContact O-N 3.22Å; D484-R488 IonicContact OD1-CZ 3.64Å; D484-R488 IonicContact OD1-NE 2.8Å; D484-R488 PolarHBondContact OD1-NE 2.96Å; D484-R488 IonicContact OD1-NH2 2.8Å; D484-R488 PolarHBondContact OD1-NH2 3.48Å; D484-R488 VanDerWaalsContact OD1-NH2 3.15Å; D484-R488 WeakPolarHBondContact OD2-CD 3.36Å; D484-R488 IonicContact OD2-CZ 2.65Å; D484-R488 IonicContact OD2-NE 2.81Å; D484-R488 PolarHBondContact OD2-NE 3.47Å; D484-R488 IonicContact OD2-NH1 2.73Å; D484-R488 IonicContact OD2-NH2 3.23Å; D484-R488 PolarHBondContact OD2-NH2 2.98Å
485F96.8Very high95.2Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-55.8-47.6173.9177.3-103000112.7I476 S477 L478 G481 E482 R488 A489 V501 A523 L526 L527I476-F485 HydrophobicContact CB-CD2 4.38Å; I476-F485 HydrophobicContact CB-CE2 4.47Å; I476-F485 HydrophobicContact CD1-CD2 3.83Å; I476-F485 HydrophobicContact CD1-CE2 3.45Å; I476-F485 VanDerWaalsContact CD1-CE2 3.45Å; I476-F485 HydrophobicContact CD1-CZ 4.13Å; I476-F485 HydrophobicContact CG1-CD2 4.09Å; I476-F485 HydrophobicContact CG1-CE2 3.72Å; S477-F485 WeakPolarHBondContact O-CD2 3.45Å; L478-F485 HydrophobicContact CD2-CB 3.84Å; L478-F485 HydrophobicContact CD2-CD1 3.89Å; L478-F485 HydrophobicContact CD2-CD2 4.42Å; L478-F485 HydrophobicContact CD2-CG 3.8Å; L478-F485 HydrophobicContact CG-CD2 4.44Å; L478-F485 HydrophobicContact CG-CG 4.29Å; G481-F485 PolarHBondContact O-N 3.27Å; E482-F485 PolarHBondContact O-N 2.8Å; F485-R488 PolarHBondContact O-N 3.19Å; F485-A489 VanDerWaalsContact O-CB 3.23Å; F485-A489 WeakPolarHBondContact O-CB 3.36Å; F485-A489 PolarHBondContact O-N 2.77Å; F485-V501 HydrophobicContact CE2-CG1 3.94Å; F485-V501 HydrophobicContact CE2-CG2 4.32Å; F485-V501 HydrophobicContact CZ-CG1 4.25Å; F485-V501 HydrophobicContact CZ-CG2 4.4Å; F485-A523 HydrophobicContact CE1-CB 4.38Å; F485-A523 HydrophobicContact CZ-CB 3.89Å; F485-L526 HydrophobicContact CD1-CD1 4.27Å; F485-L526 HydrophobicContact CE1-CB 4.12Å; F485-L526 HydrophobicContact CE1-CD1 4.39Å; F485-L527 HydrophobicContact CE1-CD1 4.49Å; F485-L527 HydrophobicContact CE1-CD2 3.79Å; F485-L527 HydrophobicContact CE1-CG 3.82Å; F485-L527 HydrophobicContact CZ-CD1 3.88Å; F485-L527 HydrophobicContact CZ-CD2 3.78Å; F485-L527 HydrophobicContact CZ-CG 3.7Å
486L96.3Very high95.3Very high14 Ų1438.3 Ų38.37%0.07319%0.19CC..Hα-helixtrans-64.9-39.5178.3-71.2173.4000112.2E482 Q483 D484 A490 L526 K530 V531E482-L486 HydrophobicContact CG-CD1 3.85Å; E482-L486 HydrophobicContact CG-CG 4.21Å; E482-L486 WeakPolarHBondContact O-CB 3.49Å; E482-L486 VanDerWaalsContact O-CG 3.28Å; E482-L486 WeakPolarHBondContact O-CG 3.39Å; E482-L486 PolarHBondContact O-N 3.08Å; Q483-L486 PolarHBondContact O-N 3.18Å; D484-L486 PolarHBondContact O-N 3.11Å; L486-A490 WeakPolarHBondContact O-CB 3.42Å; L486-A490 PolarHBondContact O-N 3.48Å; L486-L526 HydrophobicContact CD2-CB 4.23Å; L486-K530 HydrophobicContact CD1-CD 4.05Å; L486-K530 HydrophobicContact CD2-CB 4.07Å; L486-K530 HydrophobicContact CD2-CD 4.41Å; L486-V531 HydrophobicContact CD2-CG2 3.49Å; L486-V531 VanDerWaalsContact CD2-CG2 3.49Å
487L94.6Very high95.3Very high67 Ų6738.3 Ų38.335%0.35119%0.19SC..Hα-helixtrans-64-48.9177.7179.265.7000111.1Y8 Q483 D484 A490 T491Y8-L487 HydrophobicContact CD1-CD1 4.17Å; Y8-L487 HydrophobicContact CD2-CD1 4.17Å; Y8-L487 HydrophobicContact CE1-CD1 3.84Å; Y8-L487 HydrophobicContact CE2-CD1 3.84Å; Y8-L487 HydrophobicContact CG-CD1 4.33Å; Q483-L487 WeakPolarHBondContact O-CB 3.22Å; Q483-L487 PolarHBondContact O-N 3.44Å; D484-L487 PolarHBondContact O-N 2.99Å; L487-A490 PolarHBondContact O-N 3.45Å; L487-T491 PolarHBondContact O-N 2.87Å; L487-T491 PolarHBondContact O-OG1 2.67Å
488R96.9Very high95.4Very high37 Ų3737.5 Ų37.514%0.1418%0.184CC..Hα-helixtrans-61.7-45.4177.4-68-179.2-168.5-174.111.9110.8F457 I476 E480 D484 F485 A490 T491 V492F457-R488 HydrophobicContact CD1-CG 4.16Å; F457-R488 HydrophobicContact CD2-CB 4.05Å; F457-R488 HydrophobicContact CD2-CG 3.75Å; F457-R488 HydrophobicContact CE1-CB 4.48Å; F457-R488 HydrophobicContact CE1-CG 4.19Å; F457-R488 HydrophobicContact CE2-CB 3.6Å; F457-R488 HydrophobicContact CE2-CG 3.79Å; F457-R488 HydrophobicContact CG-CG 3.95Å; F457-R488 HydrophobicContact CZ-CB 3.84Å; F457-R488 HydrophobicContact CZ-CG 4Å; I476-R488 HydrophobicContact CG2-CB 3.94Å; E480-R488 IonicContact OE1-CZ 3.18Å; E480-R488 IonicContact OE1-NH1 2.69Å; E480-R488 IonicContact OE1-NH2 2.8Å; E480-R488 PolarHBondContact OE1-NH2 3.39Å; E480-R488 IonicContact OE2-NH2 2.78Å; E480-R488 PolarHBondContact OE2-NH2 3.49Å; D484-R488 VanDerWaalsContact CG-NE 3.26Å; D484-R488 WeakPolarHBondContact O-CG 3.47Å; D484-R488 PolarHBondContact O-N 3.22Å; D484-R488 IonicContact OD1-CZ 3.64Å; D484-R488 IonicContact OD1-NE 2.8Å; D484-R488 PolarHBondContact OD1-NE 2.96Å; D484-R488 IonicContact OD1-NH2 2.8Å; D484-R488 PolarHBondContact OD1-NH2 3.48Å; D484-R488 VanDerWaalsContact OD1-NH2 3.15Å; D484-R488 WeakPolarHBondContact OD2-CD 3.36Å; D484-R488 IonicContact OD2-CZ 2.65Å; D484-R488 IonicContact OD2-NE 2.81Å; D484-R488 PolarHBondContact OD2-NE 3.47Å; D484-R488 IonicContact OD2-NH1 2.73Å; D484-R488 IonicContact OD2-NH2 3.23Å; D484-R488 PolarHBondContact OD2-NH2 2.98Å; F485-R488 PolarHBondContact O-N 3.19Å; R488-A490 PolarHBondContact O-N 3.12Å; R488-T491 PolarHBondContact O-N 3.26Å; R488-V492 WeakPolarHBondContact O-CG2 3.37Å; R488-V492 PolarHBondContact O-N 3.33Å
489A95.9Very high95.5Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-60.5-42.6176.800000113.1I476 F485 T491 V492 K493 L527 V531 F533I476-A489 HydrophobicContact CD1-CB 4.01Å; F485-A489 VanDerWaalsContact O-CB 3.23Å; F485-A489 WeakPolarHBondContact O-CB 3.36Å; F485-A489 PolarHBondContact O-N 2.77Å; A489-T491 VanDerWaalsContact C-N 3.33Å; A489-T491 PolarHBondContact O-N 2.68Å; A489-V492 PolarHBondContact O-N 3.26Å; A489-K493 WeakPolarHBondContact O-CB 3.34Å; A489-K493 PolarHBondContact O-N 2.81Å; A489-L527 HydrophobicContact CB-CD2 3.36Å; A489-V531 HydrophobicContact CB-CG2 4.28Å; A489-F533 WeakPolarHBondContact O-CE2 3.42Å
490A93.4Very high95.8Very high30 Ų3031.8 Ų31.825%0.24816%0.16CC..Hα-helixtrans-62.5-41.1175.900000111.7L486 L487 R488 K493 R494 V531L486-A490 WeakPolarHBondContact O-CB 3.42Å; L486-A490 PolarHBondContact O-N 3.48Å; L487-A490 PolarHBondContact O-N 3.45Å; R488-A490 PolarHBondContact O-N 3.12Å; A490-K493 WeakPolarHBondContact O-CB 3.44Å; A490-K493 PolarHBondContact O-N 3.08Å; A490-R494 PolarHBondContact O-N 3.27Å; A490-V531 HydrophobicContact CB-CG1 4.44Å
491T94.7Very high96Very high16 Ų1626 Ų2610%0.09813%0.133CC..Hα-helixtrans-64.3-46.3175.6-61.30000111.9F457 L487 R488 A489 K493 R494 Y495F457-T491 HydrophobicContact CE1-CG2 4.01Å; F457-T491 HydrophobicContact CZ-CG2 4.06Å; L487-T491 PolarHBondContact O-N 2.87Å; L487-T491 PolarHBondContact O-OG1 2.67Å; R488-T491 PolarHBondContact O-N 3.26Å; A489-T491 VanDerWaalsContact C-N 3.33Å; A489-T491 PolarHBondContact O-N 2.68Å; T491-K493 VanDerWaalsContact C-N 3.3Å; T491-K493 PolarHBondContact O-N 3.06Å; T491-R494 PolarHBondContact O-N 2.78Å; T491-R494 VanDerWaalsContact O-N 3.12Å; T491-Y495 HydrophobicContact CG2-CD2 3.95Å; T491-Y495 HydrophobicContact CG2-CE2 3.71Å; T491-Y495 VanDerWaalsContact O-CD2 3.26Å; T491-Y495 WeakPolarHBondContact O-CD2 3.48Å; T491-Y495 PolarHBondContact O-N 3.35Å; T491-Y495 VanDerWaalsContact O-N 3.12Å
492V96.6Very high96.1Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-59.2-42.2176.41740000111.3F457 V473 R488 A489 R494 Y495 G496 A497 V499 F533F457-V492 HydrophobicContact CE2-CG2 4Å; F457-V492 HydrophobicContact CZ-CG2 4.14Å; V473-V492 HydrophobicContact CB-CG1 4.25Å; V473-V492 HydrophobicContact CB-CG2 4.37Å; V473-V492 HydrophobicContact CG1-CG2 4.12Å; V473-V492 HydrophobicContact CG2-CG1 3.83Å; V473-V492 HydrophobicContact CG2-CG2 4.03Å; R488-V492 WeakPolarHBondContact O-CG2 3.37Å; R488-V492 PolarHBondContact O-N 3.33Å; A489-V492 PolarHBondContact O-N 3.26Å; V492-R494 VanDerWaalsContact C-N 3.33Å; V492-R494 PolarHBondContact O-N 2.88Å; V492-Y495 PolarHBondContact O-N 3.16Å; V492-G496 PolarHBondContact O-N 3.45Å; V492-G496 VanDerWaalsContact O-N 3.16Å; V492-A497 HydrophobicContact CG1-CB 4.05Å; V492-A497 PolarHBondContact O-N 3.16Å; V492-V499 HydrophobicContact CG1-CB 4.14Å; V492-V499 HydrophobicContact CG1-CG2 4.44Å; V492-F533 HydrophobicContact CG1-CZ 4.25Å
493K94.8Very high96.1Very high71 Ų7125 Ų2531%0.30913%0.125SC..Hα-helixtrans-59.9-42175.1-171.1-178.3177.3-169.70112.1A489 A490 T491 Y495 G496 V531 S532 F533A489-K493 WeakPolarHBondContact O-CB 3.34Å; A489-K493 PolarHBondContact O-N 2.81Å; A490-K493 WeakPolarHBondContact O-CB 3.44Å; A490-K493 PolarHBondContact O-N 3.08Å; T491-K493 VanDerWaalsContact C-N 3.3Å; T491-K493 PolarHBondContact O-N 3.06Å; K493-Y495 VanDerWaalsContact C-N 3.32Å; K493-Y495 PolarHBondContact O-N 3.33Å; K493-G496 WeakPolarHBondContact O-CA 3.46Å; K493-G496 PolarHBondContact O-N 3.41Å; K493-V531 HydrophobicContact CD-CG1 4Å; K493-V531 PolarHBondContact NZ-O 3.44Å; K493-S532 VanDerWaalsContact CE-O 3.3Å; K493-S532 WeakPolarHBondContact CE-O 3.47Å; K493-S532 PolarHBondContact NZ-O 3.17Å; K493-F533 HydrophobicContact CB-CD2 3.87Å; K493-F533 HydrophobicContact CB-CE2 3.61Å; K493-F533 HydrophobicContact CD-CD2 4.24Å; K493-F533 HydrophobicContact CG-CD2 4.19Å; K493-F533 HydrophobicContact CG-CE2 4.24Å
494R93.9Very high96.2Very high19 Ų1919.4 Ų19.47%0.07210%0.099CC..Hα-helixtrans-65.7-34.3179.5-161.5178.7-56.9111.54.6112.5F211 D214 E218 A490 T491 V492 G496F211-R494 HydrophobicContact CD2-CB 4.12Å; F211-R494 HydrophobicContact CD2-CG 3.55Å; F211-R494 HydrophobicContact CE2-CB 3.91Å; F211-R494 HydrophobicContact CE2-CG 3.67Å; F211-R494 HydrophobicContact CG-CG 4.1Å; F211-R494 HydrophobicContact CZ-CG 4.3Å; D214-R494 HydrophobicContact CB-CG 4.26Å; D214-R494 IonicContact OD2-NE 2.76Å; E218-R494 IonicContact OE1-CZ 3.96Å; E218-R494 IonicContact OE1-NE 2.73Å; E218-R494 PolarHBondContact OE1-NE 2.93Å; E218-R494 IonicContact OE1-NH2 2.67Å; E218-R494 PolarHBondContact OE1-NH2 3.21Å; E218-R494 IonicContact OE2-CZ 3.08Å; E218-R494 IonicContact OE2-NE 2.98Å; E218-R494 IonicContact OE2-NH2 2.83Å; E218-R494 PolarHBondContact OE2-NH2 3.45Å; A490-R494 PolarHBondContact O-N 3.27Å; T491-R494 PolarHBondContact O-N 2.78Å; T491-R494 VanDerWaalsContact O-N 3.12Å; V492-R494 VanDerWaalsContact C-N 3.33Å; V492-R494 PolarHBondContact O-N 2.88Å; R494-G496 PolarHBondContact O-N 2.89Å
495Y96.3Very high96.2Very high4 Ų418 Ų182%0.0169%0.091CC..Hα-helixtrans-73.2-13.9170.7-78.3-70.2000113.9F173 K207 F211 E461 L464 K465 T491 V492 K493F173-Y495 HydrophobicContact CD1-CE1 4.24Å; F173-Y495 HydrophobicContact CE1-CD1 4.45Å; F173-Y495 AromaticContact CE1-CE1 3.57Å; F173-Y495 HydrophobicContact CE1-CE1 3.57Å; F173-Y495 HydrophobicContact CE2-CE1 4.47Å; F173-Y495 HydrophobicContact CZ-CD1 4.17Å; F173-Y495 AromaticContact CZ-CE1 3.72Å; F173-Y495 HydrophobicContact CZ-CE1 3.72Å; K207-Y495 VanDerWaalsContact CE-O 3.31Å; K207-Y495 WeakPolarHBondContact CE-O 3.17Å; F211-Y495 HydrophobicContact CD2-CD1 4.11Å; F211-Y495 AromaticContact CD2-CE1 4Å; F211-Y495 HydrophobicContact CD2-CE1 4Å; F211-Y495 HydrophobicContact CD2-CG 4.41Å; F211-Y495 HydrophobicContact CE2-CD1 4.13Å; F211-Y495 AromaticContact CE2-CD2 3.98Å; F211-Y495 HydrophobicContact CE2-CD2 3.98Å; F211-Y495 AromaticContact CE2-CE1 3.82Å; F211-Y495 HydrophobicContact CE2-CE1 3.82Å; F211-Y495 AromaticContact CE2-CE2 3.65Å; F211-Y495 HydrophobicContact CE2-CE2 3.65Å; F211-Y495 HydrophobicContact CE2-CG 4.18Å; F211-Y495 AromaticContact CE2-CZ 3.54Å; F211-Y495 HydrophobicContact CZ-CE2 4.26Å; E461-Y495 HydrophobicContact CG-CE2 3.95Å; E461-Y495 PolarHBondContact OE1-OH 2.66Å; L464-Y495 HydrophobicContact CB-CD1 4.07Å; L464-Y495 HydrophobicContact CB-CD2 4.34Å; L464-Y495 HydrophobicContact CB-CE1 4.47Å; L464-Y495 HydrophobicContact CB-CG 4.02Å; L464-Y495 HydrophobicContact CD1-CD2 3.78Å; L464-Y495 HydrophobicContact CD1-CG 3.98Å; K465-Y495 WeakPolarHBondContact CE-OH 3.4Å; K465-Y495 HydrophobicContact CG-CE1 3.95Å; T491-Y495 HydrophobicContact CG2-CD2 3.95Å; T491-Y495 HydrophobicContact CG2-CE2 3.71Å; T491-Y495 VanDerWaalsContact O-CD2 3.26Å; T491-Y495 WeakPolarHBondContact O-CD2 3.48Å; T491-Y495 PolarHBondContact O-N 3.35Å; T491-Y495 VanDerWaalsContact O-N 3.12Å; V492-Y495 PolarHBondContact O-N 3.16Å; K493-Y495 VanDerWaalsContact C-N 3.32Å; K493-Y495 PolarHBondContact O-N 3.33Å
496G95.2Very high96.1Very high4 Ų422.4 Ų22.44%0.04111%0.112CC..THydrogen-bonded Turntrans75.328.4-179.900000114.7H254 K470 V492 K493 R494H254-G496 VanDerWaalsContact CB-CA 3.45Å; K470-G496 VanDerWaalsContact CD-O 3.28Å; K470-G496 WeakPolarHBondContact CD-O 3.49Å; K470-G496 VanDerWaalsContact CG-O 3.25Å; K470-G496 WeakPolarHBondContact CG-O 3.43Å; V492-G496 PolarHBondContact O-N 3.45Å; V492-G496 VanDerWaalsContact O-N 3.16Å; K493-G496 WeakPolarHBondContact O-CA 3.46Å; K493-G496 PolarHBondContact O-N 3.41Å; R494-G496 PolarHBondContact O-N 2.89Å
497A97.9Very high95.9Very high3 Ų329.4 Ų29.43%0.02514%0.144CC..  trans-97.5154.3179.700000112.6L464 C471 V473 V492L464-A497 HydrophobicContact CD2-CB 3.67Å; C471-A497 WeakPolarHBondContact O-CA 3.28Å; C471-A497 WeakPolarHBondContact O-CB 3.44Å; V473-A497 HydrophobicContact CG2-CB 4Å; V492-A497 HydrophobicContact CG1-CB 4.05Å; V492-A497 PolarHBondContact O-N 3.16Å
498A98.2Very high95.8Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-75.8161.4165.600000110.4L359 L361 C471 V472 V473 D537L359-A498 HydrophobicContact CD1-CB 3.72Å; L361-A498 HydrophobicContact CD2-CB 3.96Å; C471-A498 PolarHBondContact O-N 3.34Å; V472-A498 CarbonylContact C-O 3.5Å; V472-A498 HydrophobicContact CG2-CB 4.32Å; V473-A498 PolarHBondContact N-O 3.23Å; A498-D537 WeakPolarHBondContact CA-O 3.47Å; A498-D537 HydrophobicContact CB-CB 4.26Å
499V98.3Very high95.5Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-134.9131.1-171.668.80000112.9V473 I476 V492 V501 F533 D537 I539V473-V499 HydrophobicContact CB-CG2 4.44Å; V473-V499 HydrophobicContact CG1-CG2 4.46Å; I476-V499 HydrophobicContact CD1-CG2 3.61Å; I476-V499 HydrophobicContact CG1-CG2 3.56Å; V492-V499 HydrophobicContact CG1-CB 4.14Å; V492-V499 HydrophobicContact CG1-CG2 4.44Å; V499-V501 HydrophobicContact CG1-CG2 4.31Å; V499-F533 HydrophobicContact CB-CZ 4.23Å; V499-F533 HydrophobicContact CG1-CE1 3.78Å; V499-F533 HydrophobicContact CG1-CE2 4.47Å; V499-F533 HydrophobicContact CG1-CZ 3.76Å; V499-D537 PolarHBondContact N-O 3.22Å; V499-I539 PolarHBondContact O-N 3.05Å
500V98.5Very high95.4Very high6 Ų629.9 Ų29.94%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-87.6124.6166-177.20000108.8V472 V473 N474 S475 I476 I539 D541V472-V500 HydrophobicContact CG1-CG2 3.6Å; V473-V500 WeakPolarHBondContact O-CB 3.45Å; V473-V500 PolarHBondContact O-N 3.33Å; N474-V500 HydrophobicContact CB-CB 4.42Å; N474-V500 HydrophobicContact CB-CG2 4.27Å; S475-V500 WeakPolarHBondContact CA-O 3.42Å; S475-V500 VanDerWaalsContact CB-O 3.24Å; S475-V500 WeakPolarHBondContact CB-O 3.37Å; I476-V500 PolarHBondContact N-O 3.18Å; V500-I539 CarbonylContact C-O 3.52Å; V500-I539 WeakPolarHBondContact CA-O 3.48Å; V500-I539 HydrophobicContact CG2-CB 4.16Å; V500-I539 HydrophobicContact CG2-CD1 4.35Å; V500-I539 HydrophobicContact CG2-CG2 4.18Å; V500-D541 HydrophobicContact CG1-CB 3.82Å
501V98.1Very high95.3Very high2 Ų230.8 Ų30.81%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-109.8112.9175.8-177.30000108.7I476 F485 V499 A523 L527 I538 I539 F540 D541I476-V501 HydrophobicContact CD1-CG2 4.48Å; I476-V501 HydrophobicContact CG1-CG2 4.19Å; I476-V501 WeakPolarHBondContact O-CA 3.29Å; F485-V501 HydrophobicContact CE2-CG1 3.94Å; F485-V501 HydrophobicContact CE2-CG2 4.32Å; F485-V501 HydrophobicContact CZ-CG1 4.25Å; F485-V501 HydrophobicContact CZ-CG2 4.4Å; V499-V501 HydrophobicContact CG1-CG2 4.31Å; V501-A523 HydrophobicContact CG1-CB 3.83Å; V501-L527 HydrophobicContact CG2-CD1 3.85Å; V501-I538 HydrophobicContact CG2-CG2 4.32Å; V501-I539 PolarHBondContact N-O 3.25Å; V501-F540 HydrophobicContact CB-CD1 3.81Å; V501-F540 HydrophobicContact CB-CE1 3.84Å; V501-F540 HydrophobicContact CG1-CD1 4.15Å; V501-F540 HydrophobicContact CG1-CE1 3.94Å; V501-F540 HydrophobicContact CG2-CE1 4.36Å; V501-D541 PolarHBondContact O-N 2.81Å
502M96.2Very high95.3Very high52 Ų5232.8 Ų32.826%0.25617%0.165SC..EExtended strand (participates in β ladder)trans-75.7142.6175.7-68.3-157.3-60.900111.1S475 I476 F504 D541S475-M502 WeakPolarHBondContact OG-CG 3.39Å; I476-M502 PolarHBondContact O-N 2.93Å; M502-F504 HydrophobicContact CB-CB 4.43Å; M502-F504 PolarHBondContact O-N 3.37Å; M502-D541 HydrophobicContact CG-CB 4.4Å
503A96.4Very high95.2Very high0 Ų033 Ų330%017%0.167CC..SBendtrans-73.366.9170.900000111.1A510 D541 N543A503-A510 HydrophobicContact CB-CB 4.23Å; A503-A510 WeakPolarHBondContact O-CB 3.42Å; A503-A510 PolarHBondContact O-N 2.86Å; A503-A510 VanDerWaalsContact O-N 3.08Å; A503-D541 PolarHBondContact N-O 2.84Å; A503-N543 PolarHBondContact O-ND2 3.18Å
504F95.9Very high95.3Very high47 Ų4736.3 Ų36.321%0.20618%0.183CC..EExtended strand (participates in β ladder)trans-137.9125.2-180-157.9-47.4000108S477 L478 K479 M502 G508 Q509S477-F504 WeakPolarHBondContact CB-O 3.44Å; L478-F504 PolarHBondContact N-O 3.32Å; K479-F504 HydrophobicContact CB-CD1 3.8Å; K479-F504 HydrophobicContact CB-CE1 4.13Å; K479-F504 HydrophobicContact CD-CD1 4.2Å; K479-F504 HydrophobicContact CD-CE1 3.85Å; K479-F504 HydrophobicContact CD-CZ 4.16Å; K479-F504 HydrophobicContact CG-CD1 3.96Å; K479-F504 HydrophobicContact CG-CE1 3.74Å; M502-F504 HydrophobicContact CB-CB 4.43Å; M502-F504 PolarHBondContact O-N 3.37Å; F504-G508 WeakPolarHBondContact CA-O 3.31Å; F504-G508 VanDerWaalsContact CD1-C 3.42Å; F504-G508 VanDerWaalsContact CD1-O 3.26Å; F504-G508 WeakPolarHBondContact CD1-O 3.4Å; F504-G508 VanDerWaalsContact CE1-CA 3.42Å; F504-Q509 HydrophobicContact CD2-CB 3.75Å; F504-Q509 HydrophobicContact CD2-CG 4.03Å; F504-Q509 HydrophobicContact CE2-CB 3.7Å; F504-Q509 HydrophobicContact CE2-CG 4.34Å; F504-Q509 HydrophobicContact CG-CB 4.37Å; F504-Q509 HydrophobicContact CZ-CB 4.28Å
505D95.6Very high95.3Very high7 Ų737.1 Ų37.14%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-130.8-166.1177.482.6-16.8000112.5L478 E507 G508 R515 I519 R522L478-D505 HydrophobicContact CB-CB 3.64Å; D505-E507 PolarHBondContact O-N 3.16Å; D505-E507 VanDerWaalsContact O-N 3.15Å; D505-E507 PolarHBondContact OD1-N 3.14Å; D505-E507 VanDerWaalsContact OD1-N 3.1Å; D505-G508 PolarHBondContact N-O 3.26Å; D505-G508 VanDerWaalsContact N-O 3.1Å; D505-G508 PolarHBondContact O-N 2.98Å; D505-R515 IonicContact OD1-CZ 3.69Å; D505-R515 IonicContact OD1-NH2 3.66Å; D505-R515 PolarHBondContact OD1-NH2 3.27Å; D505-R515 IonicContact OD2-CZ 3.08Å; D505-R515 IonicContact OD2-NH2 3.63Å; D505-R515 PolarHBondContact OD2-NH2 2.63Å; D505-I519 HydrophobicContact CB-CD1 3.95Å; D505-I519 HydrophobicContact CB-CG1 4.17Å; D505-I519 HydrophobicContact CB-CG2 4.32Å; D505-R522 IonicContact OD2-NH1 4Å
506E95.3Very high95.4Very high92 Ų9237 Ų3743%0.4319%0.186SC..THydrogen-bonded Turntrans-60.2-22.7-176.1-56.593.1147.500113.2R522E506-R522 IonicContact OE1-CZ 3.23Å; E506-R522 IonicContact OE1-NH1 3.91Å; E506-R522 IonicContact OE1-NH2 3.1Å; E506-R522 PolarHBondContact OE1-NH2 3Å; E506-R522 IonicContact OE2-CZ 2.96Å; E506-R522 IonicContact OE2-NH1 2.6Å; E506-R522 PolarHBondContact OE2-NH1 3.46Å; E506-R522 IonicContact OE2-NH2 3.28Å
507E91.6Very high95.5Very high160 Ų16038 Ų3875%0.74819%0.191SC*.THydrogen-bonded Turntrans-88.7-12.3178.4-58.9-169169.500113.3D505 R515D505-E507 PolarHBondContact O-N 3.16Å; D505-E507 VanDerWaalsContact O-N 3.15Å; D505-E507 PolarHBondContact OD1-N 3.14Å; D505-E507 VanDerWaalsContact OD1-N 3.1Å; E507-R515 IonicContact OE2-CZ 3.49Å; E507-R515 IonicContact OE2-NE 2.8Å; E507-R515 IonicContact OE2-NH1 3.84Å; E507-R515 IonicContact OE2-NH2 3.76Å; E507-R515 PolarHBondContact OE2-NH2 2.93Å; E507-R515 VanDerWaalsContact OE2-NH2 3.11Å
508G91.3Very high95.4Very high23 Ų2343.1 Ų43.124%0.23721%0.214CC..EExtended strand (participates in β ladder)trans126-163.6179.200000114.1F504 D505F504-G508 WeakPolarHBondContact CA-O 3.31Å; F504-G508 VanDerWaalsContact CD1-C 3.42Å; F504-G508 VanDerWaalsContact CD1-O 3.26Å; F504-G508 WeakPolarHBondContact CD1-O 3.4Å; F504-G508 VanDerWaalsContact CE1-CA 3.42Å; D505-G508 PolarHBondContact N-O 3.26Å; D505-G508 VanDerWaalsContact N-O 3.1Å; D505-G508 PolarHBondContact O-N 2.98Å
509Q92.2Very high95.4Very high90 Ų9043.2 Ų43.242%0.42122%0.215SC..EExtended strand (participates in β ladder)trans-81131.2178.2-167.9172.827.500110.6F504 N543F504-Q509 HydrophobicContact CD2-CB 3.75Å; F504-Q509 HydrophobicContact CD2-CG 4.03Å; F504-Q509 HydrophobicContact CE2-CB 3.7Å; F504-Q509 HydrophobicContact CE2-CG 4.34Å; F504-Q509 HydrophobicContact CG-CB 4.37Å; F504-Q509 HydrophobicContact CZ-CB 4.28Å; Q509-N543 HydrophobicContact CG-CB 4.44Å; Q509-N543 PolarHBondContact NE2-OD1 3.36Å
510A92.4Very high95.4Very high2 Ų243.2 Ų43.22%0.01722%0.215CC..  trans-75.1126.7179.100000112.6A503 R515 K516 I519A503-A510 HydrophobicContact CB-CB 4.23Å; A503-A510 WeakPolarHBondContact O-CB 3.42Å; A503-A510 PolarHBondContact O-N 2.86Å; A503-A510 VanDerWaalsContact O-N 3.08Å; A510-R515 HydrophobicContact CB-CB 4.1Å; A510-R515 HydrophobicContact CB-CG 3.73Å; A510-K516 HydrophobicContact CB-CB 4.34Å; A510-K516 HydrophobicContact CB-CG 3.67Å; A510-K516 PolarHBondContact O-NZ 3.41Å; A510-I519 HydrophobicContact CB-CD1 3.89Å
511T92.1Very high95.3Very high48 Ų4845 Ų4529%0.29423%0.226SC..  trans-109.3-35.1-177.349.50000113.5K516 L545 Y557 N560T511-K516 WeakPolarHBondContact O-CE 3.35Å; T511-L545 HydrophobicContact CG2-CD1 3.89Å; T511-Y557 HydrophobicContact CG2-CE1 4Å; T511-N560 PolarHBondContact O-ND2 2.8Å
512D93.9Very high95.3Very high59 Ų5948.7 Ų48.732%0.31624%0.24SC..SBendtrans-92.1165.2177.359.991.1000113.1E514 R515 K516D512-E514 PolarHBondContact OD1-N 3.42Å; D512-R515 WeakPolarHBondContact OD1-CB 3.48Å; D512-R515 PolarHBondContact OD1-N 3.2Å; D512-R515 WeakPolarHBondContact OD2-CB 3.43Å; D512-K516 WeakPolarHBondContact O-CD 3.42Å; D512-K516 WeakPolarHBondContact O-CG 3.35Å; D512-K516 PolarHBondContact O-N 3.31Å
513T95.3Very high95.3Very high5 Ų546.2 Ų46.23%0.03123%0.228CC..Hα-helixtrans-66.1-47.6-176.1-65.90000111.9R515 K516 V517 N560 R563 A564 F567T513-R515 PolarHBondContact O-N 3.29Å; T513-K516 PolarHBondContact O-N 3.1Å; T513-V517 WeakPolarHBondContact O-CG2 3.32Å; T513-V517 PolarHBondContact O-N 3.38Å; T513-N560 VanDerWaalsContact OG1-CA 3.22Å; T513-N560 WeakPolarHBondContact OG1-CA 3.46Å; T513-N560 PolarHBondContact OG1-O 2.87Å; T513-N560 PolarHBondContact OG1-OD1 2.94Å; T513-R563 HydrophobicContact CG2-CB 3.8Å; T513-A564 HydrophobicContact CG2-CB 4.35Å; T513-F567 HydrophobicContact CG2-CD2 4.14Å; T513-F567 HydrophobicContact CG2-CE2 4.35Å
514E95.9Very high95.4Very high140 Ų14047.3 Ų47.365%0.65423%0.232SC*.Hα-helixtrans-60.5-46.4-175.4-68.773.4-164.800110.7D512 V517 E518D512-E514 PolarHBondContact OD1-N 3.42Å; E514-V517 PolarHBondContact O-N 3.05Å; E514-E518 WeakPolarHBondContact O-CB 3.31Å; E514-E518 PolarHBondContact O-N 2.77Å
515R95.6Very high95.5Very high36 Ų3649 Ų4914%0.13624%0.243CC..Hα-helixtrans-65.9-40.6178.8-169.664.5178.7160.81.5112.7D505 E507 A510 D512 T513 V517 E518 I519D505-R515 IonicContact OD1-CZ 3.69Å; D505-R515 IonicContact OD1-NH2 3.66Å; D505-R515 PolarHBondContact OD1-NH2 3.27Å; D505-R515 IonicContact OD2-CZ 3.08Å; D505-R515 IonicContact OD2-NH2 3.63Å; D505-R515 PolarHBondContact OD2-NH2 2.63Å; E507-R515 IonicContact OE2-CZ 3.49Å; E507-R515 IonicContact OE2-NE 2.8Å; E507-R515 IonicContact OE2-NH1 3.84Å; E507-R515 IonicContact OE2-NH2 3.76Å; E507-R515 PolarHBondContact OE2-NH2 2.93Å; E507-R515 VanDerWaalsContact OE2-NH2 3.11Å; A510-R515 HydrophobicContact CB-CB 4.1Å; A510-R515 HydrophobicContact CB-CG 3.73Å; D512-R515 WeakPolarHBondContact OD1-CB 3.48Å; D512-R515 PolarHBondContact OD1-N 3.2Å; D512-R515 WeakPolarHBondContact OD2-CB 3.43Å; T513-R515 PolarHBondContact O-N 3.29Å; R515-V517 VanDerWaalsContact C-N 3.32Å; R515-V517 PolarHBondContact O-N 2.98Å; R515-E518 IonicContact CZ-OE2 3.09Å; R515-E518 IonicContact NH1-OE1 3.47Å; R515-E518 PolarHBondContact NH1-OE1 3.33Å; R515-E518 IonicContact NH1-OE2 2.89Å; R515-E518 PolarHBondContact NH1-OE2 3.37Å; R515-E518 PolarHBondContact O-N 3.09Å; R515-I519 HydrophobicContact CG-CD1 4.28Å; R515-I519 WeakPolarHBondContact O-CG1 3.2Å; R515-I519 PolarHBondContact O-N 2.8Å; R515-I519 VanDerWaalsContact O-N 3.11Å
516K96.9Very high95.5Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-58.6-45.9175.1-73.4171-165.3-63.20110.8A510 T511 D512 T513 C520 P542 N543 A564A510-K516 HydrophobicContact CB-CB 4.34Å; A510-K516 HydrophobicContact CB-CG 3.67Å; A510-K516 PolarHBondContact O-NZ 3.41Å; T511-K516 WeakPolarHBondContact O-CE 3.35Å; D512-K516 WeakPolarHBondContact O-CD 3.42Å; D512-K516 WeakPolarHBondContact O-CG 3.35Å; D512-K516 PolarHBondContact O-N 3.31Å; T513-K516 PolarHBondContact O-N 3.1Å; K516-C520 PolarHBondContact O-N 2.91Å; K516-C520 PolarHBondContact O-SG 2.52Å; K516-P542 HydrophobicContact CB-CB 4.43Å; K516-P542 HydrophobicContact CD-CB 4.07Å; K516-P542 VanDerWaalsContact CD-O 3.27Å; K516-P542 WeakPolarHBondContact CD-O 3.28Å; K516-P542 WeakPolarHBondContact CE-O 3.19Å; K516-P542 HydrophobicContact CG-CB 4.41Å; K516-P542 WeakPolarHBondContact CG-O 2.86Å; K516-P542 PolarHBondContact NZ-O 3.14Å; K516-N543 PolarHBondContact NZ-O 3.3Å; K516-A564 HydrophobicContact CB-CB 3.84Å; K516-A564 HydrophobicContact CD-CB 3.99Å
517V97Very high95.6Very high25 Ų2545 Ų4515%0.15222%0.224CC..Hα-helixtrans-66.6-45.3179.1175.20000111T513 E514 R515 I519 C520 T521 A564 F567T513-V517 WeakPolarHBondContact O-CG2 3.32Å; T513-V517 PolarHBondContact O-N 3.38Å; E514-V517 PolarHBondContact O-N 3.05Å; R515-V517 VanDerWaalsContact C-N 3.32Å; R515-V517 PolarHBondContact O-N 2.98Å; V517-I519 PolarHBondContact O-N 3.4Å; V517-C520 PolarHBondContact O-N 2.82Å; V517-T521 WeakPolarHBondContact O-CB 3.42Å; V517-T521 PolarHBondContact O-N 3.24Å; V517-T521 PolarHBondContact O-OG1 3.47Å; V517-A564 HydrophobicContact CG2-CB 4.18Å; V517-F567 HydrophobicContact CG1-CB 4.41Å; V517-F567 HydrophobicContact CG2-CB 3.64Å; V517-F567 HydrophobicContact CG2-CD2 4.43Å; V517-F567 HydrophobicContact CG2-CG 4.27Å
518E97.4Very high95.7Very high111 Ų11139.5 Ų39.552%0.51920%0.202SC..Hα-helixtrans-54.4-50.4179.1-174.1-171.2176.300112.3E514 R515 T521 R522E514-E518 WeakPolarHBondContact O-CB 3.31Å; E514-E518 PolarHBondContact O-N 2.77Å; R515-E518 IonicContact CZ-OE2 3.09Å; R515-E518 IonicContact NH1-OE1 3.47Å; R515-E518 PolarHBondContact NH1-OE1 3.33Å; R515-E518 IonicContact NH1-OE2 2.89Å; R515-E518 PolarHBondContact NH1-OE2 3.37Å; R515-E518 PolarHBondContact O-N 3.09Å; E518-T521 PolarHBondContact O-N 2.77Å; E518-R522 WeakPolarHBondContact O-CB 3.43Å; E518-R522 PolarHBondContact O-N 3.12Å
519I97.3Very high95.8Very high2 Ų242.6 Ų42.61%0.0122%0.22CC..Hα-helixtrans-64.2-46.1-179.5-63.6176.7000110.8L478 D505 A510 R515 V517 T521 R522 A523L478-I519 HydrophobicContact CD1-CG2 4.33Å; D505-I519 HydrophobicContact CB-CD1 3.95Å; D505-I519 HydrophobicContact CB-CG1 4.17Å; D505-I519 HydrophobicContact CB-CG2 4.32Å; A510-I519 HydrophobicContact CB-CD1 3.89Å; R515-I519 HydrophobicContact CG-CD1 4.28Å; R515-I519 WeakPolarHBondContact O-CG1 3.2Å; R515-I519 PolarHBondContact O-N 2.8Å; R515-I519 VanDerWaalsContact O-N 3.11Å; V517-I519 PolarHBondContact O-N 3.4Å; I519-T521 PolarHBondContact O-N 3.05Å; I519-R522 PolarHBondContact O-N 2.83Å; I519-A523 WeakPolarHBondContact O-CB 3.28Å; I519-A523 PolarHBondContact O-N 3.46Å
520C97.7Very high95.7Very high1 Ų144.3 Ų44.31%0.00723%0.226CC..Hα-helixtrans-62.1-42.2178.5-690000111.8K516 V517 A523 Y524 F540 I568 L572K516-C520 PolarHBondContact O-N 2.91Å; K516-C520 PolarHBondContact O-SG 2.52Å; V517-C520 PolarHBondContact O-N 2.82Å; C520-A523 PolarHBondContact O-N 3.17Å; C520-Y524 WeakPolarHBondContact O-CB 3.45Å; C520-Y524 PolarHBondContact O-N 3.12Å; C520-F540 HydrophobicContact CB-CD1 3.79Å; C520-F540 HydrophobicContact CB-CD2 4.37Å; C520-F540 HydrophobicContact CB-CE1 3.94Å; C520-F540 HydrophobicContact CB-CE2 4.48Å; C520-F540 HydrophobicContact CB-CG 4.03Å; C520-F540 HydrophobicContact CB-CZ 4.3Å; C520-F540 VanDerWaalsContact O-CZ 3.25Å; C520-F540 WeakPolarHBondContact O-CZ 3.21Å; C520-F540 VanDerWaalsContact SG-CD1 3.53Å; C520-I568 HydrophobicContact CB-CD1 4Å; C520-I568 HydrophobicContact CB-CG1 4.1Å; C520-L572 HydrophobicContact CB-CD1 4.11Å
521T97.8Very high95.6Very high44 Ų4445.1 Ų45.127%0.2723%0.231SC..Hα-helixtrans-63.7-43.7175.8-59.30000111.6V517 E518 I519 Y524 N525 L572V517-T521 WeakPolarHBondContact O-CB 3.42Å; V517-T521 PolarHBondContact O-N 3.24Å; V517-T521 PolarHBondContact O-OG1 3.47Å; E518-T521 PolarHBondContact O-N 2.77Å; I519-T521 PolarHBondContact O-N 3.05Å; T521-Y524 PolarHBondContact O-N 3.2Å; T521-N525 VanDerWaalsContact O-CG 3.3Å; T521-N525 PolarHBondContact O-N 3.25Å; T521-N525 VanDerWaalsContact O-N 3.09Å; T521-N525 PolarHBondContact O-ND2 3.34Å; T521-N525 VanDerWaalsContact O-ND2 3.15Å; T521-L572 HydrophobicContact CG2-CD2 4.29Å
522R97.3Very high95.6Very high78 Ų7846 Ų4629%0.29424%0.239SC..Hα-helixtrans-59.2-49.5175.4179.4179.1170.9-152.2-4.6110.9L478 D505 E506 E518 I519 N525 L526L478-R522 HydrophobicContact CD1-CB 4.48Å; L478-R522 HydrophobicContact CD1-CG 4.05Å; D505-R522 IonicContact OD2-NH1 4Å; E506-R522 IonicContact OE1-CZ 3.23Å; E506-R522 IonicContact OE1-NH1 3.91Å; E506-R522 IonicContact OE1-NH2 3.1Å; E506-R522 PolarHBondContact OE1-NH2 3Å; E506-R522 IonicContact OE2-CZ 2.96Å; E506-R522 IonicContact OE2-NH1 2.6Å; E506-R522 PolarHBondContact OE2-NH1 3.46Å; E506-R522 IonicContact OE2-NH2 3.28Å; E518-R522 WeakPolarHBondContact O-CB 3.43Å; E518-R522 PolarHBondContact O-N 3.12Å; I519-R522 PolarHBondContact O-N 2.83Å; R522-N525 PolarHBondContact O-N 3.07Å; R522-L526 HydrophobicContact CG-CD1 4.2Å; R522-L526 WeakPolarHBondContact O-CG 3.4Å; R522-L526 PolarHBondContact O-N 3.21Å; R522-L526 VanDerWaalsContact O-N 3.12Å
523A97.4Very high95.6Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-63.4-42.9179.800000112.7L478 F485 V501 I519 C520 N525 L526 L527 F540L478-A523 HydrophobicContact CD1-CB 4.27Å; F485-A523 HydrophobicContact CE1-CB 4.38Å; F485-A523 HydrophobicContact CZ-CB 3.89Å; V501-A523 HydrophobicContact CG1-CB 3.83Å; I519-A523 WeakPolarHBondContact O-CB 3.28Å; I519-A523 PolarHBondContact O-N 3.46Å; C520-A523 PolarHBondContact O-N 3.17Å; A523-N525 PolarHBondContact O-N 2.97Å; A523-L526 PolarHBondContact O-N 3.31Å; A523-L527 WeakPolarHBondContact O-CG 3.37Å; A523-L527 PolarHBondContact O-N 3.45Å; A523-F540 HydrophobicContact CB-CE1 4.03Å
524Y97.9Very high95.5Very high24 Ų2447.1 Ų47.19%0.09424%0.244CC..Hα-helixtrans-56.3-49.8175.6-175.5-92.3000111.5C520 T521 L526 L527 V528 P535 I538 F540 L572 P573 A575C520-Y524 WeakPolarHBondContact O-CB 3.45Å; C520-Y524 PolarHBondContact O-N 3.12Å; T521-Y524 PolarHBondContact O-N 3.2Å; Y524-L526 VanDerWaalsContact C-N 3.3Å; Y524-L526 PolarHBondContact O-N 3.14Å; Y524-L527 PolarHBondContact O-N 2.96Å; Y524-V528 HydrophobicContact CD1-CG2 4.13Å; Y524-V528 HydrophobicContact CD2-CG2 4.23Å; Y524-V528 HydrophobicContact CE1-CB 4.41Å; Y524-V528 HydrophobicContact CE1-CG2 3.83Å; Y524-V528 HydrophobicContact CE2-CG2 3.96Å; Y524-V528 HydrophobicContact CG-CG2 4.33Å; Y524-V528 WeakPolarHBondContact O-CB 3.39Å; Y524-V528 WeakPolarHBondContact O-CG2 3.45Å; Y524-V528 PolarHBondContact O-N 3.3Å; Y524-P535 HydrophobicContact CE2-CB 3.91Å; Y524-I538 HydrophobicContact CD2-CD1 4.2Å; Y524-I538 HydrophobicContact CE2-CD1 4.49Å; Y524-F540 HydrophobicContact CD2-CE2 4.09Å; Y524-F540 HydrophobicContact CD2-CZ 4.33Å; Y524-L572 HydrophobicContact CD1-CD2 4.04Å; Y524-L572 HydrophobicContact CD2-CB 3.99Å; Y524-L572 HydrophobicContact CE2-CB 4.16Å; Y524-L572 HydrophobicContact CG-CB 4.27Å; Y524-L572 HydrophobicContact CG-CD1 4.43Å; Y524-L572 HydrophobicContact CG-CD2 3.98Å; Y524-L572 HydrophobicContact CG-CG 4.45Å; Y524-P573 WeakPolarHBondContact CE2-O 3.08Å; Y524-P573 PolarHBondContact OH-O 3.42Å; Y524-A575 HydrophobicContact CD2-CB 4.3Å; Y524-A575 HydrophobicContact CE2-CB 4.22Å
525N97.1Very high95.5Very high83 Ų8342.1 Ų42.144%0.44422%0.224SC..Hα-helixtrans-61.3-39.3-179.8-72.1-30.1000112T521 R522 A523 S529T521-N525 VanDerWaalsContact O-CG 3.3Å; T521-N525 PolarHBondContact O-N 3.25Å; T521-N525 VanDerWaalsContact O-N 3.09Å; T521-N525 PolarHBondContact O-ND2 3.34Å; T521-N525 VanDerWaalsContact O-ND2 3.15Å; R522-N525 PolarHBondContact O-N 3.07Å; A523-N525 PolarHBondContact O-N 2.97Å; N525-S529 WeakPolarHBondContact O-CB 3.42Å; N525-S529 PolarHBondContact O-N 2.93Å; N525-S529 PolarHBondContact O-OG 3.47Å
526L96.8Very high95.5Very high13 Ų1341 Ų417%0.06822%0.22CC..Hα-helixtrans-65.2-48.4175.7-70.7170.7000112L478 E482 F485 L486 R522 A523 Y524 K530 V531L478-L526 HydrophobicContact CD2-CD1 3.88Å; E482-L526 VanDerWaalsContact CD-CD2 3.46Å; E482-L526 HydrophobicContact CG-CD1 3.9Å; E482-L526 HydrophobicContact CG-CD2 3.91Å; E482-L526 WeakPolarHBondContact OE1-CD2 3.48Å; F485-L526 HydrophobicContact CD1-CD1 4.27Å; F485-L526 HydrophobicContact CE1-CB 4.12Å; F485-L526 HydrophobicContact CE1-CD1 4.39Å; L486-L526 HydrophobicContact CD2-CB 4.23Å; R522-L526 HydrophobicContact CG-CD1 4.2Å; R522-L526 WeakPolarHBondContact O-CG 3.4Å; R522-L526 PolarHBondContact O-N 3.21Å; R522-L526 VanDerWaalsContact O-N 3.12Å; A523-L526 PolarHBondContact O-N 3.31Å; Y524-L526 VanDerWaalsContact C-N 3.3Å; Y524-L526 PolarHBondContact O-N 3.14Å; L526-K530 HydrophobicContact CD2-CD 3.82Å; L526-K530 WeakPolarHBondContact O-CA 3.33Å; L526-K530 VanDerWaalsContact O-CB 3.3Å; L526-K530 WeakPolarHBondContact O-CB 3.38Å; L526-K530 PolarHBondContact O-N 3.24Å; L526-V531 PolarHBondContact O-N 3.02Å
527L96.3Very high95.5Very high0 Ų041.9 Ų41.90%023%0.225CC..Iπ-helixtrans-64.9-49.5-178.8-70.5176.7000112.1F485 A489 V501 A523 Y524 V531 S532 F533 I538F485-L527 HydrophobicContact CE1-CD1 4.49Å; F485-L527 HydrophobicContact CE1-CD2 3.79Å; F485-L527 HydrophobicContact CE1-CG 3.82Å; F485-L527 HydrophobicContact CZ-CD1 3.88Å; F485-L527 HydrophobicContact CZ-CD2 3.78Å; F485-L527 HydrophobicContact CZ-CG 3.7Å; A489-L527 HydrophobicContact CB-CD2 3.36Å; V501-L527 HydrophobicContact CG2-CD1 3.85Å; A523-L527 WeakPolarHBondContact O-CG 3.37Å; A523-L527 PolarHBondContact O-N 3.45Å; Y524-L527 PolarHBondContact O-N 2.96Å; L527-V531 CarbonylContact O-C 3.5Å; L527-V531 WeakPolarHBondContact O-CB 3.25Å; L527-V531 PolarHBondContact O-N 2.87Å; L527-S532 PolarHBondContact O-N 3.44Å; L527-F533 HydrophobicContact CB-CB 4.04Å; L527-F533 HydrophobicContact CD2-CD2 4.47Å; L527-F533 WeakPolarHBondContact O-CB 3.36Å; L527-F533 PolarHBondContact O-N 3.37Å; L527-I538 HydrophobicContact CB-CD1 3.76Å; L527-I538 HydrophobicContact CD1-CD1 3.75Å; L527-I538 HydrophobicContact CD1-CG1 4Å; L527-I538 HydrophobicContact CD1-CG2 4.05Å; L527-I538 HydrophobicContact CG-CD1 4.42Å
528V95.3Very high95.5Very high45 Ų4540.7 Ų40.727%0.27322%0.218SC..Iπ-helixtrans-71.8-44.5-176.7176.90000111Y524 S532 P535 I538Y524-V528 HydrophobicContact CD1-CG2 4.13Å; Y524-V528 HydrophobicContact CD2-CG2 4.23Å; Y524-V528 HydrophobicContact CE1-CB 4.41Å; Y524-V528 HydrophobicContact CE1-CG2 3.83Å; Y524-V528 HydrophobicContact CE2-CG2 3.96Å; Y524-V528 HydrophobicContact CG-CG2 4.33Å; Y524-V528 WeakPolarHBondContact O-CB 3.39Å; Y524-V528 WeakPolarHBondContact O-CG2 3.45Å; Y524-V528 PolarHBondContact O-N 3.3Å; V528-S532 WeakPolarHBondContact O-CA 3.06Å; V528-S532 PolarHBondContact O-N 3.11Å; V528-P535 HydrophobicContact CG2-CB 4.24Å; V528-I538 HydrophobicContact CG2-CD1 4.04Å
529S91.9Very high95.6Very high88 Ų8835.4 Ų35.462%0.61519%0.193SC*.Iπ-helixtrans-84.1-41.1-172.7-47.60000113.4N525N525-S529 WeakPolarHBondContact O-CB 3.42Å; N525-S529 PolarHBondContact O-N 2.93Å; N525-S529 PolarHBondContact O-OG 3.47Å
530K91.6Very high95.7Very high127 Ų12735.3 Ų35.355%0.55219%0.193SC*.Iπ-helixtrans-95-41.4-174.2-59.7-169.4178.4-176.90113E482 L486 L526E482-K530 IonicContact OE1-NZ 3.59Å; E482-K530 PolarHBondContact OE1-NZ 3.11Å; L486-K530 HydrophobicContact CD1-CD 4.05Å; L486-K530 HydrophobicContact CD2-CB 4.07Å; L486-K530 HydrophobicContact CD2-CD 4.41Å; L526-K530 HydrophobicContact CD2-CD 3.82Å; L526-K530 WeakPolarHBondContact O-CA 3.33Å; L526-K530 VanDerWaalsContact O-CB 3.3Å; L526-K530 WeakPolarHBondContact O-CB 3.38Å; L526-K530 PolarHBondContact O-N 3.24Å
531V90.4Very high95.7Very high19 Ų1935.9 Ų35.912%0.11520%0.196CC..Iπ-helixtrans-90-15.8-179.5-170.90000111.3L486 A489 A490 K493 L526 L527 F533L486-V531 HydrophobicContact CD2-CG2 3.49Å; L486-V531 VanDerWaalsContact CD2-CG2 3.49Å; A489-V531 HydrophobicContact CB-CG2 4.28Å; A490-V531 HydrophobicContact CB-CG1 4.44Å; K493-V531 HydrophobicContact CD-CG1 4Å; K493-V531 PolarHBondContact NZ-O 3.44Å; L526-V531 PolarHBondContact O-N 3.02Å; L527-V531 CarbonylContact O-C 3.5Å; L527-V531 WeakPolarHBondContact O-CB 3.25Å; L527-V531 PolarHBondContact O-N 2.87Å; V531-F533 HydrophobicContact CG1-CD2 4.09Å; V531-F533 PolarHBondContact O-N 3.39Å
532S90.9Very high95.6Very high67 Ų6733.8 Ų33.847%0.46918%0.183SC..  trans52.443.8-170.6-59.10000111.4K493 L527 V528K493-S532 VanDerWaalsContact CE-O 3.3Å; K493-S532 WeakPolarHBondContact CE-O 3.47Å; K493-S532 PolarHBondContact NZ-O 3.17Å; L527-S532 PolarHBondContact O-N 3.44Å; V528-S532 WeakPolarHBondContact O-CA 3.06Å; V528-S532 PolarHBondContact O-N 3.11Å
533F93.5Very high95.4Very high8 Ų830.4 Ų30.44%0.03517%0.171CC..  trans-73.6145175.5-145.7-83.3000109.5A489 V492 K493 V499 L527 V531 P535 D537 I538A489-F533 WeakPolarHBondContact O-CE2 3.42Å; V492-F533 HydrophobicContact CG1-CZ 4.25Å; K493-F533 HydrophobicContact CB-CD2 3.87Å; K493-F533 HydrophobicContact CB-CE2 3.61Å; K493-F533 HydrophobicContact CD-CD2 4.24Å; K493-F533 HydrophobicContact CG-CD2 4.19Å; K493-F533 HydrophobicContact CG-CE2 4.24Å; V499-F533 HydrophobicContact CB-CZ 4.23Å; V499-F533 HydrophobicContact CG1-CE1 3.78Å; V499-F533 HydrophobicContact CG1-CE2 4.47Å; V499-F533 HydrophobicContact CG1-CZ 3.76Å; L527-F533 HydrophobicContact CB-CB 4.04Å; L527-F533 HydrophobicContact CD2-CD2 4.47Å; L527-F533 WeakPolarHBondContact O-CB 3.36Å; L527-F533 PolarHBondContact O-N 3.37Å; V531-F533 HydrophobicContact CG1-CD2 4.09Å; V531-F533 PolarHBondContact O-N 3.39Å; F533-P535 WeakPolarHBondContact O-CD 3.31Å; F533-D537 HydrophobicContact CD1-CB 4.12Å; F533-D537 HydrophobicContact CE1-CB 3.58Å; F533-I538 HydrophobicContact CD1-CG1 3.96Å
534D93.4Very high95.3Very high78 Ų7830.6 Ų30.642%0.41717%0.172SC..  trans-69.1121.7175.2-170.4-32000108.9N536 D537D534-N536 PolarHBondContact O-N 2.85Å; D534-N536 VanDerWaalsContact O-N 3.16Å; D534-N536 WeakPolarHBondContact OD1-CB 3.49Å; D534-N536 PolarHBondContact OD1-N 3.46Å; D534-N536 PolarHBondContact OD1-ND2 3.23Å; D534-D537 HydrophobicContact CB-CB 4.31Å; D534-D537 PolarHBondContact O-N 3.2Å
535P95.6Very high95.1Very high35 Ų3530.7 Ų30.723%0.22717%0.174CC..G310 helixtrans-59.1-26.3179.624.9-35000113.3Y524 V528 F533 D537 I538 P573 G574 A575Y524-P535 HydrophobicContact CE2-CB 3.91Å; V528-P535 HydrophobicContact CG2-CB 4.24Å; F533-P535 WeakPolarHBondContact O-CD 3.31Å; P535-D537 PolarHBondContact O-N 2.99Å; P535-I538 PolarHBondContact O-N 2.92Å; P535-P573 WeakPolarHBondContact CB-O 3.37Å; P535-G574 CarbonylContact O-C 3.51Å; P535-G574 VanDerWaalsContact O-C 3.32Å; P535-A575 PolarHBondContact O-N 3.23Å
536N95.6Very high95Very high12 Ų1228.3 Ų28.36%0.06416%0.162CC..G310 helixtrans-68.3-24.9176-69.8-68000113.5K356 D357 Y358 L359 D534 I538 G574 R576K356-N536 PolarHBondContact O-ND2 2.91Å; D357-N536 VanDerWaalsContact C-OD1 3.3Å; D357-N536 PolarHBondContact O-OD1 3.28Å; Y358-N536 WeakPolarHBondContact O-CB 3.31Å; L359-N536 WeakPolarHBondContact CB-O 3.44Å; D534-N536 PolarHBondContact O-N 2.85Å; D534-N536 VanDerWaalsContact O-N 3.16Å; D534-N536 WeakPolarHBondContact OD1-CB 3.49Å; D534-N536 PolarHBondContact OD1-N 3.46Å; D534-N536 PolarHBondContact OD1-ND2 3.23Å; N536-I538 VanDerWaalsContact C-N 3.28Å; N536-G574 WeakPolarHBondContact CA-O 3.22Å; N536-R576 PolarHBondContact O-NH1 2.67Å; N536-R576 VanDerWaalsContact O-NH1 3.09Å; N536-R576 PolarHBondContact OD1-NH1 2.85Å
537D97.3Very high94.8Very high20 Ų2027.7 Ų27.711%0.10716%0.159CC..G310 helixtrans-860.7178.4-73.5-25.9000113L359 K470 A498 V499 F533 D534 P535L359-D537 WeakPolarHBondContact CD1-OD1 3.39Å; K470-D537 WeakPolarHBondContact CE-OD1 3.28Å; K470-D537 IonicContact NZ-OD1 3.37Å; K470-D537 PolarHBondContact NZ-OD1 3.5Å; K470-D537 IonicContact NZ-OD2 3.52Å; K470-D537 PolarHBondContact NZ-OD2 3.1Å; A498-D537 WeakPolarHBondContact CA-O 3.47Å; A498-D537 HydrophobicContact CB-CB 4.26Å; V499-D537 PolarHBondContact N-O 3.22Å; F533-D537 HydrophobicContact CD1-CB 4.12Å; F533-D537 HydrophobicContact CE1-CB 3.58Å; D534-D537 HydrophobicContact CB-CB 4.31Å; D534-D537 PolarHBondContact O-N 3.2Å; P535-D537 PolarHBondContact O-N 2.99Å
538I98.2Very high94.5Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-96120.2178.3-53.3175.8000109.6V501 Y524 L527 V528 F533 P535 N536 F540 A575 R576V501-I538 HydrophobicContact CG2-CG2 4.32Å; Y524-I538 HydrophobicContact CD2-CD1 4.2Å; Y524-I538 HydrophobicContact CE2-CD1 4.49Å; L527-I538 HydrophobicContact CB-CD1 3.76Å; L527-I538 HydrophobicContact CD1-CD1 3.75Å; L527-I538 HydrophobicContact CD1-CG1 4Å; L527-I538 HydrophobicContact CD1-CG2 4.05Å; L527-I538 HydrophobicContact CG-CD1 4.42Å; V528-I538 HydrophobicContact CG2-CD1 4.04Å; F533-I538 HydrophobicContact CD1-CG1 3.96Å; P535-I538 PolarHBondContact O-N 2.92Å; N536-I538 VanDerWaalsContact C-N 3.28Å; I538-F540 HydrophobicContact CG2-CD2 4.3Å; I538-F540 HydrophobicContact CG2-CE1 4.13Å; I538-F540 HydrophobicContact CG2-CE2 3.78Å; I538-F540 HydrophobicContact CG2-CZ 3.67Å; I538-A575 WeakPolarHBondContact O-CA 3.38Å; I538-R576 PolarHBondContact O-N 3.1Å
539I98.5Very high94.1Very high0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans-113.2122.5173.1-58.2159000107.1L359 V472 V499 V500 V501 R576 S578 M613L359-I539 HydrophobicContact CD2-CD1 3.94Å; L359-I539 HydrophobicContact CD2-CG1 4.19Å; V472-I539 HydrophobicContact CG1-CD1 3.87Å; V472-I539 HydrophobicContact CG2-CD1 4.26Å; V499-I539 PolarHBondContact O-N 3.05Å; V500-I539 CarbonylContact C-O 3.52Å; V500-I539 WeakPolarHBondContact CA-O 3.48Å; V500-I539 HydrophobicContact CG2-CB 4.16Å; V500-I539 HydrophobicContact CG2-CD1 4.35Å; V500-I539 HydrophobicContact CG2-CG2 4.18Å; V501-I539 PolarHBondContact N-O 3.25Å; I539-R576 CarbonylContact C-O 3.51Å; I539-R576 WeakPolarHBondContact CA-O 3.32Å; I539-R576 HydrophobicContact CG1-CB 4.25Å; I539-S578 VanDerWaalsContact CG2-CB 3.45Å; I539-M613 HydrophobicContact CD1-CE 4.2Å; I539-M613 HydrophobicContact CD1-SD 3.75Å; I539-M613 HydrophobicContact CG1-CE 4.24Å; I539-M613 HydrophobicContact CG1-SD 4.17Å; I539-M613 HydrophobicContact CG2-SD 4.06Å
540F98.5Very high93.7Very high0 Ų027.3 Ų27.30%017%0.168CC..EExtended strand (participates in β ladder)trans-90.9136172.6-73.1-64.3000110.5V501 C520 A523 Y524 I538 P542 I568 L572 A575 R576 V577 S578V501-F540 HydrophobicContact CB-CD1 3.81Å; V501-F540 HydrophobicContact CB-CE1 3.84Å; V501-F540 HydrophobicContact CG1-CD1 4.15Å; V501-F540 HydrophobicContact CG1-CE1 3.94Å; V501-F540 HydrophobicContact CG2-CE1 4.36Å; C520-F540 HydrophobicContact CB-CD1 3.79Å; C520-F540 HydrophobicContact CB-CD2 4.37Å; C520-F540 HydrophobicContact CB-CE1 3.94Å; C520-F540 HydrophobicContact CB-CE2 4.48Å; C520-F540 HydrophobicContact CB-CG 4.03Å; C520-F540 HydrophobicContact CB-CZ 4.3Å; C520-F540 VanDerWaalsContact O-CZ 3.25Å; C520-F540 WeakPolarHBondContact O-CZ 3.21Å; C520-F540 VanDerWaalsContact SG-CD1 3.53Å; A523-F540 HydrophobicContact CB-CE1 4.03Å; Y524-F540 HydrophobicContact CD2-CE2 4.09Å; Y524-F540 HydrophobicContact CD2-CZ 4.33Å; I538-F540 HydrophobicContact CG2-CD2 4.3Å; I538-F540 HydrophobicContact CG2-CE1 4.13Å; I538-F540 HydrophobicContact CG2-CE2 3.78Å; I538-F540 HydrophobicContact CG2-CZ 3.67Å; F540-P542 WeakPolarHBondContact O-CD 3.25Å; F540-I568 HydrophobicContact CB-CD1 4.41Å; F540-I568 HydrophobicContact CB-CG2 4.48Å; F540-I568 HydrophobicContact CD2-CG2 3.87Å; F540-L572 HydrophobicContact CD2-CD1 4.21Å; F540-L572 HydrophobicContact CE2-CD1 3.66Å; F540-L572 HydrophobicContact CZ-CD1 4.23Å; F540-A575 HydrophobicContact CD2-CB 3.86Å; F540-A575 HydrophobicContact CE2-CB 3.75Å; F540-R576 PolarHBondContact N-O 2.64Å; F540-V577 WeakPolarHBondContact O-CA 3.35Å; F540-S578 PolarHBondContact O-N 3.29Å
541D97.8Very high93.4Very high13 Ų1326.3 Ų26.37%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-109.399.7163.6-170.9-22.5000108.5V500 V501 M502 A503 N543V500-D541 HydrophobicContact CG1-CB 3.82Å; V501-D541 PolarHBondContact O-N 2.81Å; M502-D541 HydrophobicContact CG-CB 4.4Å; A503-D541 PolarHBondContact N-O 2.84Å; D541-N543 PolarHBondContact O-N 3.08Å; D541-N543 WeakPolarHBondContact OD1-CA 3.3Å; D541-N543 PolarHBondContact OD1-N 2.98Å
542P96.3Very high93.2Very high0 Ų033.2 Ų33.20%020%0.197CC..  trans-65.54.2174.9-20.431.5000114.3K516 F540 F561 A564 I568 V577K516-P542 HydrophobicContact CB-CB 4.43Å; K516-P542 HydrophobicContact CD-CB 4.07Å; K516-P542 VanDerWaalsContact CD-O 3.27Å; K516-P542 WeakPolarHBondContact CD-O 3.28Å; K516-P542 WeakPolarHBondContact CE-O 3.19Å; K516-P542 HydrophobicContact CG-CB 4.41Å; K516-P542 WeakPolarHBondContact CG-O 2.86Å; K516-P542 PolarHBondContact NZ-O 3.14Å; F540-P542 WeakPolarHBondContact O-CD 3.25Å; P542-F561 HydrophobicContact CB-CD2 3.79Å; P542-F561 HydrophobicContact CB-CE2 3.87Å; P542-F561 HydrophobicContact CG-CD2 4.28Å; P542-F561 HydrophobicContact CG-CE2 3.93Å; P542-F561 HydrophobicContact CG-CZ 4.48Å; P542-A564 HydrophobicContact CB-CB 4.36Å; P542-I568 HydrophobicContact CB-CD1 4.48Å; P542-I568 HydrophobicContact CG-CD1 3.67Å; P542-V577 HydrophobicContact CG-CG1 4.02Å
543N92.6Very high93Very high7 Ų736.7 Ų36.74%0.03721%0.206CC..  trans66.9104.6-172.3-47.9-73.7000113.5A503 Q509 K516 D541 L545A503-N543 PolarHBondContact O-ND2 3.18Å; Q509-N543 HydrophobicContact CG-CB 4.44Å; Q509-N543 PolarHBondContact NE2-OD1 3.36Å; K516-N543 PolarHBondContact NZ-O 3.3Å; D541-N543 PolarHBondContact O-N 3.08Å; D541-N543 WeakPolarHBondContact OD1-CA 3.3Å; D541-N543 PolarHBondContact OD1-N 2.98Å; N543-L545 HydrophobicContact CB-CD2 4.11Å; N543-L545 HydrophobicContact CB-CG 4.33Å; N543-L545 PolarHBondContact O-N 3.26Å
544I96Very high92.9Very high4 Ų438.4 Ų38.42%0.02121%0.214CC..  trans-76.3117.2162.5-59.8179.9000108.3F561 G580 N583 L584 F602 M611I544-F561 HydrophobicContact CD1-CE1 4.3Å; I544-F561 HydrophobicContact CD1-CE2 4.15Å; I544-F561 HydrophobicContact CD1-CZ 3.94Å; I544-F561 HydrophobicContact CG1-CD1 4.37Å; I544-F561 HydrophobicContact CG1-CD2 3.61Å; I544-F561 HydrophobicContact CG1-CE1 4.14Å; I544-F561 HydrophobicContact CG1-CE2 3.34Å; I544-F561 HydrophobicContact CG1-CG 4.12Å; I544-F561 HydrophobicContact CG1-CZ 3.64Å; I544-G580 WeakPolarHBondContact CB-O 3.49Å; I544-N583 VanDerWaalsContact O-CB 3.25Å; I544-N583 WeakPolarHBondContact O-CB 3.49Å; I544-L584 HydrophobicContact CG2-CB 3.8Å; I544-L584 HydrophobicContact CG2-CD1 4.29Å; I544-F602 HydrophobicContact CD1-CE1 3.69Å; I544-F602 HydrophobicContact CD1-CZ 4.01Å; I544-F602 HydrophobicContact CG1-CE1 4.38Å; I544-F602 HydrophobicContact CG1-CZ 4.19Å; I544-M611 HydrophobicContact CD1-CE 4.12Å
545L94.5Very high92.8Very high25 Ų2536.1 Ų36.113%0.13120%0.202CC..  trans-110.7159.6-178.4-58.1177.9000111.3T511 N543 Y557T511-L545 HydrophobicContact CG2-CD1 3.89Å; N543-L545 HydrophobicContact CB-CD2 4.11Å; N543-L545 HydrophobicContact CB-CG 4.33Å; N543-L545 PolarHBondContact O-N 3.26Å; L545-Y557 HydrophobicContact CB-CD2 3.37Å; L545-Y557 HydrophobicContact CB-CE2 3.98Å; L545-Y557 HydrophobicContact CB-CG 3.98Å; L545-Y557 HydrophobicContact CD1-CD1 4.47Å; L545-Y557 HydrophobicContact CD1-CD2 3.78Å; L545-Y557 HydrophobicContact CD1-CE1 4.49Å; L545-Y557 HydrophobicContact CD1-CE2 3.77Å; L545-Y557 HydrophobicContact CD1-CG 4.11Å; L545-Y557 HydrophobicContact CG-CD2 4.22Å
546T94.1Very high92.7Very high34 Ų3438 Ų3821%0.20921%0.21CC..  trans-71131.8-176.3-53.30000112.1T549 N583 F586 S587T546-T549 HydrophobicContact CG2-CG2 3.8Å; T546-N583 VanDerWaalsContact CA-O 3.26Å; T546-N583 WeakPolarHBondContact CA-O 3.36Å; T546-N583 WeakPolarHBondContact CB-O 3.35Å; T546-N583 PolarHBondContact OG1-O 3.37Å; T546-F586 HydrophobicContact CG2-CB 3.85Å; T546-S587 WeakPolarHBondContact CG2-OG 3.32Å
547I93Very high92.7Very high0 Ų039.1 Ų39.10%021%0.213CC..  trans-113170.7173.566.2173.3000111.1T549 A558 L584 S587 M598 L638 I639I547-T549 VanDerWaalsContact C-N 3.3Å; I547-T549 PolarHBondContact O-N 3.17Å; I547-A558 HydrophobicContact CD1-CB 4.02Å; I547-A558 HydrophobicContact CG2-CB 4.02Å; I547-L584 HydrophobicContact CD1-CD1 3.78Å; I547-L584 HydrophobicContact CD1-CG 4.29Å; I547-L584 HydrophobicContact CG1-CD1 3.86Å; I547-L584 HydrophobicContact CG1-CG 4.26Å; I547-L584 HydrophobicContact CG2-CD1 4.23Å; I547-L584 PolarHBondContact N-O 3.39Å; I547-S587 WeakPolarHBondContact O-CB 3.42Å; I547-S587 PolarHBondContact O-OG 3.21Å; I547-M598 HydrophobicContact CD1-CE 4.04Å; I547-M598 HydrophobicContact CG1-CE 3.95Å; I547-L638 HydrophobicContact CD1-CD2 4.34Å; I547-L638 HydrophobicContact CD1-CG 3.98Å; I547-L638 HydrophobicContact CG1-CD2 4.5Å; I547-L638 HydrophobicContact CG1-CG 4.46Å; I547-I639 HydrophobicContact CD1-CG1 4.11Å
548G89.3Confident92.7Very high6 Ų638.2 Ų38.26%0.06221%0.209CC..  trans68.528.6-179.400000113.7S587 T647G548-S587 VanDerWaalsContact O-CB 3.26Å; G548-S587 WeakPolarHBondContact O-CB 3.34Å; G548-S587 PolarHBondContact O-OG 2.83Å; G548-T647 WeakPolarHBondContact O-CG2 3.32Å
549T88Confident92.6Very high53 Ų5338.4 Ų38.433%0.32521%0.21SC..SBendtrans-83.3-14.3-178.258.70000113.4T546 I547 M551 H554 S587T546-T549 HydrophobicContact CG2-CG2 3.8Å; I547-T549 VanDerWaalsContact C-N 3.3Å; I547-T549 PolarHBondContact O-N 3.17Å; T549-M551 PolarHBondContact OG1-N 3.15Å; T549-H554 PolarHBondContact OG1-ND1 3.15Å; T549-S587 WeakPolarHBondContact CG2-OG 3.32Å
550G83.1Confident92.5Very high66 Ų6639.4 Ų39.468%0.6822%0.215SC*.SBendtrans85.15.5-171.300000114.6
551M85.5Confident92.5Very high105 Ų10539.4 Ų39.452%0.51722%0.216SC..  trans-104.9126.8173.1-61.3176.1-178.600109.2T549 E553 H554 N555T549-M551 PolarHBondContact OG1-N 3.15Å; M551-E553 PolarHBondContact O-N 2.66Å; M551-H554 PolarHBondContact O-N 3.42Å; M551-H554 VanDerWaalsContact O-N 3.14Å; M551-H554 PolarHBondContact SD-CE1 3.13Å; M551-N555 PolarHBondContact O-OD1 3.44Å
552E85.9Confident92.4Very high164 Ų16438.9 Ų38.977%0.76621%0.212SC*.G310 helixtrans-61.2-33.4-175.8-74.6-173.6171.400112.3H554 N555E552-H554 PolarHBondContact O-N 2.95Å; E552-H554 VanDerWaalsContact O-N 3.11Å; E552-N555 WeakPolarHBondContact O-CB 3.5Å; E552-N555 PolarHBondContact O-N 3.34Å; E552-N555 VanDerWaalsContact O-N 3.14Å
553E86.1Confident92.5Very high140 Ų14045.3 Ų45.365%0.65424%0.237SC*.G310 helixtrans-59.7-25.2179.7-59.384.6173.100112.6M551 Y557M551-E553 PolarHBondContact O-N 2.66Å; E553-Y557 WeakPolarHBondContact O-CE1 3.49Å
554H91.9Very high92.7Very high45 Ų4545 Ų4521%0.20824%0.235CC..G310 helixtrans-92.2-9.8-176.1-60.8169.7000113.3T549 M551 E552 D556 Y557T549-H554 PolarHBondContact OG1-ND1 3.15Å; M551-H554 PolarHBondContact O-N 3.42Å; M551-H554 VanDerWaalsContact O-N 3.14Å; M551-H554 PolarHBondContact SD-CE1 3.13Å; E552-H554 PolarHBondContact O-N 2.95Å; E552-H554 VanDerWaalsContact O-N 3.11Å; H554-D556 VanDerWaalsContact C-N 3.32Å; H554-D556 PolarHBondContact O-N 3.47Å; H554-Y557 HydrophobicContact CB-CD2 4.04Å; H554-Y557 HydrophobicContact CB-CE2 3.95Å; H554-Y557 AromaticContact CD2-CE2 3.32Å; H554-Y557 WeakPolarHBondContact CD2-CE2 3.22Å; H554-Y557 AromaticContact CD2-CZ 3.43Å; H554-Y557 VanDerWaalsContact CD2-CZ 3.43Å; H554-Y557 PolarHBondContact CD2-OH 2.85Å; H554-Y557 VanDerWaalsContact CD2-OH 3.24Å; H554-Y557 AromaticContact CG-CE2 3.73Å; H554-Y557 PolarHBondContact O-N 2.95Å
555N90.8Very high92.8Very high29 Ų2944.8 Ų44.816%0.15523%0.234CC..THydrogen-bonded Turntrans-65.3-35.8-171.5-69.5-13.2000112.5M551 E552M551-N555 PolarHBondContact O-OD1 3.44Å; E552-N555 WeakPolarHBondContact O-CB 3.5Å; E552-N555 PolarHBondContact O-N 3.34Å; E552-N555 VanDerWaalsContact O-N 3.14Å
556D94.1Very high92.9Very high75 Ų7548.1 Ų48.140%0.40125%0.248SC..THydrogen-bonded Turntrans-86.6-4.6-175.8-70.9-30.8000114H554 A558 V559 N560 N641H554-D556 VanDerWaalsContact C-N 3.32Å; H554-D556 PolarHBondContact O-N 3.47Å; D556-A558 VanDerWaalsContact C-N 3.32Å; D556-A558 PolarHBondContact O-N 3.47Å; D556-V559 PolarHBondContact O-N 3.41Å; D556-V559 VanDerWaalsContact O-N 3.16Å; D556-N560 WeakPolarHBondContact O-CB 3.45Å; D556-N560 PolarHBondContact O-N 2.98Å; D556-N560 PolarHBondContact O-ND2 3.05Å; D556-N560 PolarHBondContact O-OD1 3.18Å; D556-N641 PolarHBondContact OD1-ND2 3.15Å
557Y96.1Very high93.1Very high35 Ų3551.2 Ų51.214%0.13726%0.258CS..Hα-helixtrans-57.8-40.3-172.5-73.1-5.6000113.9T511 L545 E553 H554 N560 F561T511-Y557 HydrophobicContact CG2-CE1 4Å; L545-Y557 HydrophobicContact CB-CD2 3.37Å; L545-Y557 HydrophobicContact CB-CE2 3.98Å; L545-Y557 HydrophobicContact CB-CG 3.98Å; L545-Y557 HydrophobicContact CD1-CD1 4.47Å; L545-Y557 HydrophobicContact CD1-CD2 3.78Å; L545-Y557 HydrophobicContact CD1-CE1 4.49Å; L545-Y557 HydrophobicContact CD1-CE2 3.77Å; L545-Y557 HydrophobicContact CD1-CG 4.11Å; L545-Y557 HydrophobicContact CG-CD2 4.22Å; E553-Y557 WeakPolarHBondContact O-CE1 3.49Å; H554-Y557 HydrophobicContact CB-CD2 4.04Å; H554-Y557 HydrophobicContact CB-CE2 3.95Å; H554-Y557 AromaticContact CD2-CE2 3.32Å; H554-Y557 WeakPolarHBondContact CD2-CE2 3.22Å; H554-Y557 AromaticContact CD2-CZ 3.43Å; H554-Y557 VanDerWaalsContact CD2-CZ 3.43Å; H554-Y557 PolarHBondContact CD2-OH 2.85Å; H554-Y557 VanDerWaalsContact CD2-OH 3.24Å; H554-Y557 AromaticContact CG-CE2 3.73Å; H554-Y557 PolarHBondContact O-N 2.95Å; Y557-N560 PolarHBondContact O-N 3.21Å; Y557-F561 PolarHBondContact O-N 2.85Å; Y557-F561 VanDerWaalsContact O-N 3.07Å
558A95.6Very high93.2Very high2 Ų251.2 Ų51.22%0.01726%0.258CS..Hα-helixtrans-69.1-43.2178.400000112.2I547 D556 N560 F561 I562 L584 F602 I639I547-A558 HydrophobicContact CD1-CB 4.02Å; I547-A558 HydrophobicContact CG2-CB 4.02Å; D556-A558 VanDerWaalsContact C-N 3.32Å; D556-A558 PolarHBondContact O-N 3.47Å; A558-N560 VanDerWaalsContact C-N 3.3Å; A558-N560 PolarHBondContact O-N 3.01Å; A558-F561 PolarHBondContact O-N 2.89Å; A558-I562 WeakPolarHBondContact O-CG1 3.38Å; A558-I562 PolarHBondContact O-N 3.27Å; A558-I562 VanDerWaalsContact O-N 3.11Å; A558-L584 HydrophobicContact CB-CD1 3.88Å; A558-F602 HydrophobicContact CB-CD2 4.28Å; A558-F602 HydrophobicContact CB-CE2 4.07Å; A558-I639 HydrophobicContact CB-CG2 4.15Å
559V96.3Very high93.5Very high4 Ų454.3 Ų54.32%0.02427%0.27CS..Hα-helixtrans-61.5-42.6174.4-178.80000110.7D556 F561 I562 R563 I639 W640D556-V559 PolarHBondContact O-N 3.41Å; D556-V559 VanDerWaalsContact O-N 3.16Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 PolarHBondContact O-N 3.07Å; V559-I562 PolarHBondContact O-N 3.17Å; V559-R563 HydrophobicContact CG1-CG 4.31Å; V559-R563 VanDerWaalsContact CG1-CZ 3.46Å; V559-R563 WeakPolarHBondContact O-CG 3.41Å; V559-R563 PolarHBondContact O-N 2.71Å; V559-I639 WeakPolarHBondContact CG2-O 3.45Å; V559-W640 HydrophobicContact CG1-CE3 4.27Å; V559-W640 HydrophobicContact CG1-CZ3 4.19Å; V559-W640 HydrophobicContact CG2-CE3 3.94Å
560N97.1Very high93.8Very high20 Ų2057.7 Ų57.711%0.10728%0.282CS..Hα-helixtrans-64.1-39.5-178-68.8-16000111.7T511 T513 D556 Y557 A558 A564T511-N560 PolarHBondContact O-ND2 2.8Å; T513-N560 VanDerWaalsContact OG1-CA 3.22Å; T513-N560 WeakPolarHBondContact OG1-CA 3.46Å; T513-N560 PolarHBondContact OG1-O 2.87Å; T513-N560 PolarHBondContact OG1-OD1 2.94Å; D556-N560 WeakPolarHBondContact O-CB 3.45Å; D556-N560 PolarHBondContact O-N 2.98Å; D556-N560 PolarHBondContact O-ND2 3.05Å; D556-N560 PolarHBondContact O-OD1 3.18Å; Y557-N560 PolarHBondContact O-N 3.21Å; A558-N560 VanDerWaalsContact C-N 3.3Å; A558-N560 PolarHBondContact O-N 3.01Å; N560-A564 VanDerWaalsContact O-CB 3.26Å; N560-A564 WeakPolarHBondContact O-CB 3.29Å; N560-A564 PolarHBondContact O-N 3.4Å
561F97.7Very high94.4Very high1 Ų158 Ų580%0.00427%0.271CS..Hα-helixtrans-61.2-52.4171.8-178.2-84.4000111.4P542 I544 Y557 A558 V559 R563 A564 T565 V577 F602 M611P542-F561 HydrophobicContact CB-CD2 3.79Å; P542-F561 HydrophobicContact CB-CE2 3.87Å; P542-F561 HydrophobicContact CG-CD2 4.28Å; P542-F561 HydrophobicContact CG-CE2 3.93Å; P542-F561 HydrophobicContact CG-CZ 4.48Å; I544-F561 HydrophobicContact CD1-CE1 4.3Å; I544-F561 HydrophobicContact CD1-CE2 4.15Å; I544-F561 HydrophobicContact CD1-CZ 3.94Å; I544-F561 HydrophobicContact CG1-CD1 4.37Å; I544-F561 HydrophobicContact CG1-CD2 3.61Å; I544-F561 HydrophobicContact CG1-CE1 4.14Å; I544-F561 HydrophobicContact CG1-CE2 3.34Å; I544-F561 HydrophobicContact CG1-CG 4.12Å; I544-F561 HydrophobicContact CG1-CZ 3.64Å; Y557-F561 PolarHBondContact O-N 2.85Å; Y557-F561 VanDerWaalsContact O-N 3.07Å; A558-F561 PolarHBondContact O-N 2.89Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 PolarHBondContact O-N 3.07Å; F561-R563 VanDerWaalsContact C-N 3.29Å; F561-R563 PolarHBondContact O-N 2.88Å; F561-A564 PolarHBondContact O-N 3.15Å; F561-A564 VanDerWaalsContact O-N 3.14Å; F561-T565 WeakPolarHBondContact CE1-OG1 3.38Å; F561-T565 PolarHBondContact O-N 3.11Å; F561-T565 PolarHBondContact O-OG1 3.39Å; F561-V577 HydrophobicContact CZ-CG1 4.28Å; F561-F602 HydrophobicContact CD1-CE1 4.27Å; F561-F602 HydrophobicContact CD1-CE2 4.31Å; F561-F602 AromaticContact CD1-CZ 3.47Å; F561-F602 HydrophobicContact CD1-CZ 3.47Å; F561-F602 VanDerWaalsContact CD1-CZ 3.47Å; F561-F602 HydrophobicContact CE1-CE1 4.21Å; F561-F602 AromaticContact CE1-CZ 3.86Å; F561-F602 HydrophobicContact CE1-CZ 3.86Å; F561-F602 HydrophobicContact CG-CZ 4.11Å; F561-M611 HydrophobicContact CE1-SD 3.9Å; F561-M611 HydrophobicContact CZ-CE 4.32Å; F561-M611 HydrophobicContact CZ-SD 4.25Å
562I97.4Very high94.9Very high1 Ų153.4 Ų53.41%0.00525%0.249CC..Hα-helixtrans-59.3-41.3-177.5-66.3165.9000111.2A558 V559 K566 F602 H605 A606 N609 I639 W640A558-I562 WeakPolarHBondContact O-CG1 3.38Å; A558-I562 PolarHBondContact O-N 3.27Å; A558-I562 VanDerWaalsContact O-N 3.11Å; V559-I562 PolarHBondContact O-N 3.17Å; I562-K566 PolarHBondContact O-N 3.33Å; I562-F602 HydrophobicContact CD1-CD2 4.27Å; I562-F602 HydrophobicContact CD1-CE2 4.17Å; I562-F602 HydrophobicContact CG1-CE2 4.09Å; I562-H605 HydrophobicContact CD1-CB 4.07Å; I562-A606 HydrophobicContact CG1-CB 4.39Å; I562-N609 HydrophobicContact CG2-CB 3.97Å; I562-N609 VanDerWaalsContact CG2-ND2 3.34Å; I562-N609 WeakPolarHBondContact CG2-ND2 3.27Å; I562-I639 HydrophobicContact CD1-CG2 4.14Å; I562-W640 HydrophobicContact CD1-CH2 4.32Å; I562-W640 HydrophobicContact CD1-CZ2 4.32Å; I562-W640 HydrophobicContact CG2-CH2 4.01Å
563R97.3Very high95.3Very high135 Ų13549.9 Ų49.951%0.50924%0.24SC..Hα-helixtrans-66.1-46.4175.4-70.9177.5-179.7161.93.5111.8T513 V559 F561 T565 K566 F567T513-R563 HydrophobicContact CG2-CB 3.8Å; V559-R563 HydrophobicContact CG1-CG 4.31Å; V559-R563 VanDerWaalsContact CG1-CZ 3.46Å; V559-R563 WeakPolarHBondContact O-CG 3.41Å; V559-R563 PolarHBondContact O-N 2.71Å; F561-R563 VanDerWaalsContact C-N 3.29Å; F561-R563 PolarHBondContact O-N 2.88Å; R563-T565 VanDerWaalsContact C-N 3.32Å; R563-T565 PolarHBondContact O-N 3.22Å; R563-K566 WeakPolarHBondContact O-CB 3.3Å; R563-K566 PolarHBondContact O-N 2.86Å; R563-F567 VanDerWaalsContact O-CD2 3.22Å; R563-F567 WeakPolarHBondContact O-CD2 3.25Å; R563-F567 PolarHBondContact O-N 2.85Å; R563-F567 VanDerWaalsContact O-N 3.11Å
564A97.6Very high95.7Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-61-41.2178.700000111.7T513 K516 V517 P542 N560 F561 K566 F567 I568T513-A564 HydrophobicContact CG2-CB 4.35Å; K516-A564 HydrophobicContact CB-CB 3.84Å; K516-A564 HydrophobicContact CD-CB 3.99Å; V517-A564 HydrophobicContact CG2-CB 4.18Å; P542-A564 HydrophobicContact CB-CB 4.36Å; N560-A564 VanDerWaalsContact O-CB 3.26Å; N560-A564 WeakPolarHBondContact O-CB 3.29Å; N560-A564 PolarHBondContact O-N 3.4Å; F561-A564 PolarHBondContact O-N 3.15Å; F561-A564 VanDerWaalsContact O-N 3.14Å; A564-K566 VanDerWaalsContact C-N 3.34Å; A564-K566 PolarHBondContact O-N 3.08Å; A564-F567 PolarHBondContact O-N 3.49Å; A564-I568 WeakPolarHBondContact O-CB 3.43Å; A564-I568 VanDerWaalsContact O-CG1 3.29Å; A564-I568 WeakPolarHBondContact O-CG1 3.42Å; A564-I568 PolarHBondContact O-N 3.4Å
565T97.7Very high95.9Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-54.3-49.6174-62.80000111.3F561 R563 F567 I568 K569 V577 M611F561-T565 WeakPolarHBondContact CE1-OG1 3.38Å; F561-T565 PolarHBondContact O-N 3.11Å; F561-T565 PolarHBondContact O-OG1 3.39Å; R563-T565 VanDerWaalsContact C-N 3.32Å; R563-T565 PolarHBondContact O-N 3.22Å; T565-F567 PolarHBondContact O-N 2.91Å; T565-I568 PolarHBondContact O-N 2.7Å; T565-K569 VanDerWaalsContact O-CG 3.32Å; T565-K569 WeakPolarHBondContact O-CG 3.3Å; T565-K569 PolarHBondContact O-N 2.74Å; T565-V577 HydrophobicContact CG2-CB 4.09Å; T565-V577 HydrophobicContact CG2-CG1 3.88Å; T565-V577 HydrophobicContact CG2-CG2 4.19Å; T565-M611 HydrophobicContact CG2-CB 4.12Å
566K97.1Very high96.2Very high96 Ų9641.5 Ų41.542%0.41721%0.207SC..Hα-helixtrans-57.7-49.2177.2-176.2178.1173.9179.60111.8I562 R563 A564 I568 K569 E570 N609I562-K566 PolarHBondContact O-N 3.33Å; R563-K566 WeakPolarHBondContact O-CB 3.3Å; R563-K566 PolarHBondContact O-N 2.86Å; A564-K566 VanDerWaalsContact C-N 3.34Å; A564-K566 PolarHBondContact O-N 3.08Å; K566-I568 PolarHBondContact O-N 3.45Å; K566-K569 PolarHBondContact O-N 3.31Å; K566-E570 WeakPolarHBondContact CE-OE1 3.21Å; K566-E570 IonicContact NZ-OE1 2.75Å; K566-E570 WeakPolarHBondContact O-CG 3.07Å; K566-E570 PolarHBondContact O-N 2.76Å; K566-N609 WeakPolarHBondContact CA-O 3.45Å; K566-N609 HydrophobicContact CB-CB 4.2Å
567F96.8Very high96.3Very high99 Ų9938 Ų3843%0.43419%0.188SC..Hα-helixtrans-62.4-43.3179.5-81.8-69.5000112.7T513 V517 R563 A564 T565 K569 E570 T571T513-F567 HydrophobicContact CG2-CD2 4.14Å; T513-F567 HydrophobicContact CG2-CE2 4.35Å; V517-F567 HydrophobicContact CG1-CB 4.41Å; V517-F567 HydrophobicContact CG2-CB 3.64Å; V517-F567 HydrophobicContact CG2-CD2 4.43Å; V517-F567 HydrophobicContact CG2-CG 4.27Å; R563-F567 VanDerWaalsContact O-CD2 3.22Å; R563-F567 WeakPolarHBondContact O-CD2 3.25Å; R563-F567 PolarHBondContact O-N 2.85Å; R563-F567 VanDerWaalsContact O-N 3.11Å; A564-F567 PolarHBondContact O-N 3.49Å; T565-F567 PolarHBondContact O-N 2.91Å; F567-K569 VanDerWaalsContact C-N 3.32Å; F567-K569 PolarHBondContact O-N 3.14Å; F567-E570 PolarHBondContact O-N 3.29Å; F567-T571 WeakPolarHBondContact O-CB 3.17Å; F567-T571 WeakPolarHBondContact O-CG2 3.44Å; F567-T571 PolarHBondContact O-N 2.78Å; F567-T571 PolarHBondContact O-OG1 3.02Å
568I96.1Very high96.4Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-59.1-46.2177.6-73.7163.4000110.1C520 F540 P542 A564 T565 K566 E570 T571 L572 V577C520-I568 HydrophobicContact CB-CD1 4Å; C520-I568 HydrophobicContact CB-CG1 4.1Å; F540-I568 HydrophobicContact CB-CD1 4.41Å; F540-I568 HydrophobicContact CB-CG2 4.48Å; F540-I568 HydrophobicContact CD2-CG2 3.87Å; P542-I568 HydrophobicContact CB-CD1 4.48Å; P542-I568 HydrophobicContact CG-CD1 3.67Å; A564-I568 WeakPolarHBondContact O-CB 3.43Å; A564-I568 VanDerWaalsContact O-CG1 3.29Å; A564-I568 WeakPolarHBondContact O-CG1 3.42Å; A564-I568 PolarHBondContact O-N 3.4Å; T565-I568 PolarHBondContact O-N 2.7Å; K566-I568 PolarHBondContact O-N 3.45Å; I568-E570 VanDerWaalsContact C-N 3.34Å; I568-E570 PolarHBondContact O-N 2.84Å; I568-T571 PolarHBondContact O-N 3.39Å; I568-L572 HydrophobicContact CG1-CD1 4.46Å; I568-L572 HydrophobicContact CG2-CD1 4.23Å; I568-L572 WeakPolarHBondContact O-CB 3.24Å; I568-L572 PolarHBondContact O-N 3.33Å; I568-V577 HydrophobicContact CB-CG2 4.22Å; I568-V577 HydrophobicContact CG2-CG2 3.64Å
569K95.3Very high96.4Very high70 Ų7036.3 Ų36.330%0.30418%0.181SC..Hα-helixtrans-67.1-33179.2-65.9-64.2-63-167.20113.4T565 K566 F567 A575 V577 G610 D612T565-K569 VanDerWaalsContact O-CG 3.32Å; T565-K569 WeakPolarHBondContact O-CG 3.3Å; T565-K569 PolarHBondContact O-N 2.74Å; K566-K569 PolarHBondContact O-N 3.31Å; F567-K569 VanDerWaalsContact C-N 3.32Å; F567-K569 PolarHBondContact O-N 3.14Å; K569-A575 PolarHBondContact NZ-O 3.23Å; K569-V577 HydrophobicContact CD-CG2 4Å; K569-V577 HydrophobicContact CG-CG2 4.19Å; K569-G610 WeakPolarHBondContact CD-O 3.26Å; K569-G610 WeakPolarHBondContact CG-O 3.39Å; K569-D612 VanDerWaalsContact NZ-CG 3.26Å; K569-D612 IonicContact NZ-OD1 3.47Å; K569-D612 PolarHBondContact NZ-OD1 3.25Å; K569-D612 IonicContact NZ-OD2 2.81Å; K569-D612 PolarHBondContact NZ-OD2 2.98Å
570E95.3Very high96.4Very high125 Ų12536.7 Ų36.758%0.58419%0.186SC*.Hα-helixtrans-77.1-31.1177.4-73.4175.7175.300113K566 F567 I568K566-E570 WeakPolarHBondContact CE-OE1 3.21Å; K566-E570 IonicContact NZ-OE1 2.75Å; K566-E570 WeakPolarHBondContact O-CG 3.07Å; K566-E570 PolarHBondContact O-N 2.76Å; F567-E570 PolarHBondContact O-N 3.29Å; I568-E570 VanDerWaalsContact C-N 3.34Å; I568-E570 PolarHBondContact O-N 2.84Å
571T94.9Very high96.3Very high73 Ų7335.8 Ų35.845%0.44818%0.181SC..Hα-helixtrans-107.6-25-168.959.90000114.8F567 I568 P573F567-T571 WeakPolarHBondContact O-CB 3.17Å; F567-T571 WeakPolarHBondContact O-CG2 3.44Å; F567-T571 PolarHBondContact O-N 2.78Å; F567-T571 PolarHBondContact O-OG1 3.02Å; I568-T571 PolarHBondContact O-N 3.39Å; T571-P573 WeakPolarHBondContact O-CD 3.21Å
572L96.3Very high95.9Very high8 Ų836.4 Ų36.44%0.04219%0.186CC..SBendtrans-116.386.6-173.8-52.7-177.8000110C520 T521 Y524 F540 I568 A575C520-L572 HydrophobicContact CB-CD1 4.11Å; T521-L572 HydrophobicContact CG2-CD2 4.29Å; Y524-L572 HydrophobicContact CD1-CD2 4.04Å; Y524-L572 HydrophobicContact CD2-CB 3.99Å; Y524-L572 HydrophobicContact CE2-CB 4.16Å; Y524-L572 HydrophobicContact CG-CB 4.27Å; Y524-L572 HydrophobicContact CG-CD1 4.43Å; Y524-L572 HydrophobicContact CG-CD2 3.98Å; Y524-L572 HydrophobicContact CG-CG 4.45Å; F540-L572 HydrophobicContact CD2-CD1 4.21Å; F540-L572 HydrophobicContact CE2-CD1 3.66Å; F540-L572 HydrophobicContact CZ-CD1 4.23Å; I568-L572 HydrophobicContact CG1-CD1 4.46Å; I568-L572 HydrophobicContact CG2-CD1 4.23Å; I568-L572 WeakPolarHBondContact O-CB 3.24Å; I568-L572 PolarHBondContact O-N 3.33Å; L572-A575 HydrophobicContact CB-CB 4.24Å; L572-A575 PolarHBondContact O-N 3.42Å
573P94.1Very high95.6Very high89 Ų8939.5 Ų39.558%0.57820%0.202SC*.THydrogen-bonded Turntrans-65.4143.3-172.326.3-33.9000112Y524 P535 T571 A575Y524-P573 WeakPolarHBondContact CE2-O 3.08Å; Y524-P573 PolarHBondContact OH-O 3.42Å; P535-P573 WeakPolarHBondContact CB-O 3.37Å; T571-P573 WeakPolarHBondContact O-CD 3.21Å; P573-A575 PolarHBondContact O-N 3.37Å
574G93.3Very high95.5Very high27 Ų2733 Ų3328%0.27818%0.178SC..THydrogen-bonded Turntrans80.8-27.2-177.400000114.3P535 N536 R576P535-G574 CarbonylContact O-C 3.51Å; P535-G574 VanDerWaalsContact O-C 3.32Å; N536-G574 WeakPolarHBondContact CA-O 3.22Å; G574-R576 PolarHBondContact O-NH1 2.93Å
575A96.3Very high95.2Very high2 Ų233 Ų332%0.01718%0.178CC..  trans-67.8149.2-179.800000112.3Y524 P535 I538 F540 K569 L572 P573Y524-A575 HydrophobicContact CD2-CB 4.3Å; Y524-A575 HydrophobicContact CE2-CB 4.22Å; P535-A575 PolarHBondContact O-N 3.23Å; I538-A575 WeakPolarHBondContact O-CA 3.38Å; F540-A575 HydrophobicContact CD2-CB 3.86Å; F540-A575 HydrophobicContact CE2-CB 3.75Å; K569-A575 PolarHBondContact NZ-O 3.23Å; L572-A575 HydrophobicContact CB-CB 4.24Å; L572-A575 PolarHBondContact O-N 3.42Å; P573-A575 PolarHBondContact O-N 3.37Å
576R97.1Very high94.7Very high10 Ų1036.3 Ų36.34%0.03819%0.192CC..EExtended strand (participates in β ladder)trans-113.4161.2177.8-73164.6176.472.38.3111.1D357 I369 N536 I538 I539 F540 G574 D612 M613D357-R576 PolarHBondContact O-NH2 3.26Å; I369-R576 PolarHBondContact O-NE 2.99Å; I369-R576 PolarHBondContact O-NH2 3.17Å; N536-R576 PolarHBondContact O-NH1 2.67Å; N536-R576 VanDerWaalsContact O-NH1 3.09Å; N536-R576 PolarHBondContact OD1-NH1 2.85Å; I538-R576 PolarHBondContact O-N 3.1Å; I539-R576 CarbonylContact C-O 3.51Å; I539-R576 WeakPolarHBondContact CA-O 3.32Å; I539-R576 HydrophobicContact CG1-CB 4.25Å; F540-R576 PolarHBondContact N-O 2.64Å; G574-R576 PolarHBondContact O-NH1 2.93Å; R576-D612 WeakPolarHBondContact CA-OD2 3.25Å; R576-D612 HydrophobicContact CB-CB 4.23Å; R576-D612 WeakPolarHBondContact CB-OD2 3.21Å; R576-D612 HydrophobicContact CG-CB 4.28Å; R576-M613 HydrophobicContact CB-CE 4.08Å; R576-M613 HydrophobicContact CG-CE 4.5Å
577V98Very high94.2Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-120131.6178.9-178.60000110.9F540 P542 F561 T565 I568 K569 D612 M613F540-V577 WeakPolarHBondContact O-CA 3.35Å; P542-V577 HydrophobicContact CG-CG1 4.02Å; F561-V577 HydrophobicContact CZ-CG1 4.28Å; T565-V577 HydrophobicContact CG2-CB 4.09Å; T565-V577 HydrophobicContact CG2-CG1 3.88Å; T565-V577 HydrophobicContact CG2-CG2 4.19Å; I568-V577 HydrophobicContact CB-CG2 4.22Å; I568-V577 HydrophobicContact CG2-CG2 3.64Å; K569-V577 HydrophobicContact CD-CG2 4Å; K569-V577 HydrophobicContact CG-CG2 4.19Å; V577-D612 PolarHBondContact N-OD2 3.23Å; V577-D612 PolarHBondContact O-N 3.37Å; V577-D612 VanDerWaalsContact O-N 3.11Å; V577-M613 PolarHBondContact O-N 2.97Å
578S98Very high93.7Very high2 Ų229.5 Ų29.51%0.01417%0.168CC..  trans-126.5175.3174-167.40000111.5I539 F540 M613I539-S578 VanDerWaalsContact CG2-CB 3.45Å; F540-S578 PolarHBondContact O-N 3.29Å; S578-M613 WeakPolarHBondContact CA-O 3.33Å
579G95.5Very high93Very high0 Ų037.5 Ų37.50%020%0.199CC..  trans-177.1151.3170.800000113.1L581 G614 I615G579-L581 PolarHBondContact O-N 3.4Å; G579-G614 WeakPolarHBondContact O-CA 3.32Å; G579-I615 PolarHBondContact O-N 3.37Å
580G95Very high92Very high12 Ų1237.5 Ų37.512%0.12422%0.218CC..BIsolated β-bridgetrans-74.396172.100000112.7I544 S582 N583I544-G580 WeakPolarHBondContact CB-O 3.49Å; G580-S582 VanDerWaalsContact C-N 3.35Å; G580-S582 PolarHBondContact O-N 3.03Å; G580-N583 WeakPolarHBondContact O-CB 3.5Å; G580-N583 PolarHBondContact O-N 3.28Å
581L94.7Very high91.5Very high1 Ų134.9 Ų34.91%0.00521%0.207CC..G310 helixtrans-65.2-36.8-171-175.963.1000113.1G579 N583 L584 H599 F602 L603 I615 V616 L621G579-L581 PolarHBondContact O-N 3.4Å; L581-N583 PolarHBondContact O-N 3.39Å; L581-N583 VanDerWaalsContact O-N 3.14Å; L581-L584 VanDerWaalsContact O-CB 3.27Å; L581-L584 WeakPolarHBondContact O-CB 3.36Å; L581-L584 PolarHBondContact O-N 3.2Å; L581-L584 VanDerWaalsContact O-N 3.13Å; L581-H599 HydrophobicContact CD2-CB 3.72Å; L581-H599 HydrophobicContact CG-CB 4.15Å; L581-H599 PolarHBondContact O-NE2 3.26Å; L581-F602 HydrophobicContact CD1-CB 4.47Å; L581-F602 HydrophobicContact CD1-CD1 3.41Å; L581-F602 VanDerWaalsContact CD1-CD1 3.41Å; L581-F602 HydrophobicContact CD1-CE1 3.96Å; L581-F602 HydrophobicContact CD1-CG 4.25Å; L581-L603 HydrophobicContact CD1-CD2 4.13Å; L581-L603 HydrophobicContact CD1-CG 4.11Å; L581-L603 HydrophobicContact CD2-CD1 3.54Å; L581-L603 HydrophobicContact CD2-CD2 3.96Å; L581-L603 HydrophobicContact CD2-CG 3.64Å; L581-I615 PolarHBondContact N-O 2.9Å; L581-V616 HydrophobicContact CB-CG1 3.82Å; L581-V616 HydrophobicContact CD2-CB 4.39Å; L581-V616 HydrophobicContact CD2-CG1 3.56Å; L581-V616 HydrophobicContact CG-CG1 4.36Å; L581-L621 HydrophobicContact CD2-CD2 3.94Å
582S89.5Confident90.9Very high15 Ų1535.6 Ų35.611%0.10521%0.205CC..G310 helixtrans-61-22.3-180-83.80000114E380 G580 L584 S585 F586E380-S582 VanDerWaalsContact CD-OG 3.25Å; E380-S582 PolarHBondContact OE1-OG 3.11Å; E380-S582 VanDerWaalsContact OE2-CB 3.31Å; E380-S582 WeakPolarHBondContact OE2-CB 3.41Å; E380-S582 PolarHBondContact OE2-OG 3.14Å; G580-S582 VanDerWaalsContact C-N 3.35Å; G580-S582 PolarHBondContact O-N 3.03Å; S582-L584 VanDerWaalsContact C-N 3.28Å; S582-L584 PolarHBondContact O-N 3.48Å; S582-S585 PolarHBondContact O-N 3.14Å; S582-F586 VanDerWaalsContact O-CD1 3.27Å; S582-F586 WeakPolarHBondContact O-CD1 3.43Å; S582-F586 WeakPolarHBondContact O-CE1 3.24Å
583N91.7Very high90.4Very high65 Ų6538.5 Ų38.535%0.34823%0.23SC..G310 helixtrans-65.9-30177.4-66.1-15.9000112.6I544 T546 G580 L581 S585 F586I544-N583 VanDerWaalsContact O-CB 3.25Å; I544-N583 WeakPolarHBondContact O-CB 3.49Å; T546-N583 VanDerWaalsContact CA-O 3.26Å; T546-N583 WeakPolarHBondContact CA-O 3.36Å; T546-N583 WeakPolarHBondContact CB-O 3.35Å; T546-N583 PolarHBondContact OG1-O 3.37Å; G580-N583 WeakPolarHBondContact O-CB 3.5Å; G580-N583 PolarHBondContact O-N 3.28Å; L581-N583 PolarHBondContact O-N 3.39Å; L581-N583 VanDerWaalsContact O-N 3.14Å; N583-S585 VanDerWaalsContact C-N 3.27Å; N583-S585 PolarHBondContact O-N 3.36Å; N583-F586 HydrophobicContact CB-CE2 4.26Å; N583-F586 VanDerWaalsContact OD1-CE2 3.24Å; N583-F586 WeakPolarHBondContact OD1-CE2 3.3Å; N583-F586 WeakPolarHBondContact OD1-CZ 3.14Å
584L94.6Very high90.1Very high0 Ų034.8 Ų34.80%021%0.205CC..G310 helixtrans-57-41.5-179.7-175.471000112.1I544 I547 A558 L581 S582 M598 F602I544-L584 HydrophobicContact CG2-CB 3.8Å; I544-L584 HydrophobicContact CG2-CD1 4.29Å; I547-L584 HydrophobicContact CD1-CD1 3.78Å; I547-L584 HydrophobicContact CD1-CG 4.29Å; I547-L584 HydrophobicContact CG1-CD1 3.86Å; I547-L584 HydrophobicContact CG1-CG 4.26Å; I547-L584 HydrophobicContact CG2-CD1 4.23Å; I547-L584 PolarHBondContact N-O 3.39Å; A558-L584 HydrophobicContact CB-CD1 3.88Å; L581-L584 VanDerWaalsContact O-CB 3.27Å; L581-L584 WeakPolarHBondContact O-CB 3.36Å; L581-L584 PolarHBondContact O-N 3.2Å; L581-L584 VanDerWaalsContact O-N 3.13Å; S582-L584 VanDerWaalsContact C-N 3.28Å; S582-L584 PolarHBondContact O-N 3.48Å; L584-M598 HydrophobicContact CG-CE 4.44Å; L584-F602 HydrophobicContact CD1-CD2 4.16Å; L584-F602 HydrophobicContact CD1-CE2 4.27Å; L584-F602 HydrophobicContact CD2-CB 3.53Å; L584-F602 HydrophobicContact CD2-CD1 4.29Å; L584-F602 HydrophobicContact CD2-CD2 3.73Å; L584-F602 HydrophobicContact CD2-CE2 4.49Å; L584-F602 HydrophobicContact CD2-CG 3.59Å
585S91.9Very high90Very high0 Ų034.9 Ų34.90%020%0.197CC..G310 helixtrans-107.919.7-166.668.10000114.2S582 N583 S587 F588 R595 H599S582-S585 PolarHBondContact O-N 3.14Å; N583-S585 VanDerWaalsContact C-N 3.27Å; N583-S585 PolarHBondContact O-N 3.36Å; S585-S587 PolarHBondContact O-N 3Å; S585-F588 PolarHBondContact O-N 3.13Å; S585-R595 PolarHBondContact OG-NE 2.8Å; S585-R595 VanDerWaalsContact OG-NE 3.09Å; S585-H599 PolarHBondContact OG-NE2 2.82Å
586F87.4Confident89.7Confident68 Ų6837.1 Ų37.130%0.29821%0.208SC..G310 helixtrans-61.3-27.8179.7-78.3-19.1000114.5T546 S582 N583 F588 R589T546-F586 HydrophobicContact CG2-CB 3.85Å; S582-F586 VanDerWaalsContact O-CD1 3.27Å; S582-F586 WeakPolarHBondContact O-CD1 3.43Å; S582-F586 WeakPolarHBondContact O-CE1 3.24Å; N583-F586 HydrophobicContact CB-CE2 4.26Å; N583-F586 VanDerWaalsContact OD1-CE2 3.24Å; N583-F586 WeakPolarHBondContact OD1-CE2 3.3Å; N583-F586 WeakPolarHBondContact OD1-CZ 3.14Å; F586-F588 PolarHBondContact O-N 3.36Å; F586-F588 VanDerWaalsContact O-N 3.15Å; F586-R589 VanDerWaalsContact CD1-NH2 3.32Å; F586-R589 WeakPolarHBondContact O-CG 3.42Å; F586-R589 PolarHBondContact O-N 3.01Å
587S86.5Confident89.4Confident47 Ų4736.8 Ų36.833%0.32921%0.207SC..G310 helixtrans-60.1-21.6173.9-52.30000113.2T546 I547 G548 T549 S585T546-S587 WeakPolarHBondContact CG2-OG 3.32Å; I547-S587 WeakPolarHBondContact O-CB 3.42Å; I547-S587 PolarHBondContact O-OG 3.21Å; G548-S587 VanDerWaalsContact O-CB 3.26Å; G548-S587 WeakPolarHBondContact O-CB 3.34Å; G548-S587 PolarHBondContact O-OG 2.83Å; T549-S587 WeakPolarHBondContact CG2-OG 3.32Å; S585-S587 PolarHBondContact O-N 3Å
588F86.7Confident89.2Confident5 Ų536.8 Ų36.82%0.02221%0.207CC..G310 helixtrans-11325.8-174.7-55.8-80.8000113.2S585 F586 G590 M591 I594 R595 M598 L638 L650 L651S585-F588 PolarHBondContact O-N 3.13Å; F586-F588 PolarHBondContact O-N 3.36Å; F586-F588 VanDerWaalsContact O-N 3.15Å; F588-G590 PolarHBondContact O-N 2.91Å; F588-M591 WeakPolarHBondContact O-CB 3.43Å; F588-M591 PolarHBondContact O-N 3.44Å; F588-I594 HydrophobicContact CG-CG2 4.48Å; F588-R595 HydrophobicContact CB-CG 4.16Å; F588-R595 WeakPolarHBondContact O-CD 3.13Å; F588-M598 HydrophobicContact CD2-CE 4.12Å; F588-M598 HydrophobicContact CD2-SD 3.52Å; F588-M598 VanDerWaalsContact CD2-SD 3.52Å; F588-M598 HydrophobicContact CE2-CE 3.98Å; F588-M598 HydrophobicContact CE2-SD 3.75Å; F588-M598 HydrophobicContact CG-SD 4.36Å; F588-L638 HydrophobicContact CE2-CD2 3.91Å; F588-L638 HydrophobicContact CZ-CD2 4.02Å; F588-L650 HydrophobicContact CE1-CD2 3.95Å; F588-L650 HydrophobicContact CE1-CG 4.31Å; F588-L650 HydrophobicContact CE2-CD2 4.12Å; F588-L650 HydrophobicContact CZ-CD2 3.69Å; F588-L650 HydrophobicContact CZ-CG 4.47Å; F588-L651 HydrophobicContact CD1-CD2 4.08Å; F588-L651 HydrophobicContact CE1-CD2 3.82Å; F588-L651 HydrophobicContact CE1-CG 4.08Å
589R80.6Confident89Confident169 Ų16937.3 Ų37.364%0.63821%0.209SC*.THydrogen-bonded Turntrans-53.9130.2177.4-81.8175.1-178-176.72.4111.8F586F586-R589 VanDerWaalsContact CD1-NH2 3.32Å; F586-R589 WeakPolarHBondContact O-CG 3.42Å; F586-R589 PolarHBondContact O-N 3.01Å
590G74.8Confident88.9Confident69 Ų6937.6 Ų37.671%0.71121%0.212SC*.THydrogen-bonded Turntrans93.2-7.2-176.200000114.4F588F588-G590 PolarHBondContact O-N 2.91Å
591M84.1Confident88.8Confident71 Ų7137 Ų3735%0.3521%0.206SC..  trans-110.865.8173.3-64.2178.7159.400110.5F588 A593 I594 R595 A654F588-M591 WeakPolarHBondContact O-CB 3.43Å; F588-M591 PolarHBondContact O-N 3.44Å; M591-A593 VanDerWaalsContact C-N 3.34Å; M591-A593 PolarHBondContact O-N 3.27Å; M591-I594 HydrophobicContact CB-CB 4.37Å; M591-I594 HydrophobicContact CB-CD1 4.29Å; M591-I594 PolarHBondContact O-N 2.82Å; M591-I594 HydrophobicContact SD-CD1 4.1Å; M591-R595 PolarHBondContact O-N 3.38Å; M591-R595 VanDerWaalsContact O-N 3.13Å; M591-A654 HydrophobicContact CE-CB 3.45Å; M591-A654 VanDerWaalsContact CE-CB 3.45Å; M591-A654 HydrophobicContact SD-CB 3.59Å; M591-A654 VanDerWaalsContact SD-CB 3.59Å
592E83.1Confident88.9Confident87 Ų8737 Ų3741%0.40721%0.206SC..Hα-helixtrans-57.5-40.6-169.5-61.9-51.6134.900113.6I594 R595 E596E592-I594 PolarHBondContact O-N 2.91Å; E592-R595 WeakPolarHBondContact O-CB 3.4Å; E592-R595 PolarHBondContact O-N 3.03Å; E592-R595 IonicContact OE1-NH1 2.66Å; E592-R595 PolarHBondContact OE1-NH1 3.03Å; E592-R595 IonicContact OE2-CZ 3.51Å; E592-R595 IonicContact OE2-NH1 2.81Å; E592-R595 PolarHBondContact OE2-NH1 3.22Å; E592-E596 WeakPolarHBondContact O-CB 3.34Å; E592-E596 VanDerWaalsContact O-CG 3.29Å; E592-E596 WeakPolarHBondContact O-CG 3.47Å; E592-E596 PolarHBondContact O-N 3.16Å
593A85.1Confident89.2Confident69 Ų6936.8 Ų36.857%0.5720%0.204SC*.Hα-helixtrans-58.5-34.217800000113.5M591 A597M591-A593 VanDerWaalsContact C-N 3.34Å; M591-A593 PolarHBondContact O-N 3.27Å; A593-A597 WeakPolarHBondContact O-CB 3.36Å; A593-A597 PolarHBondContact O-N 2.82Å
594I89.1Confident89.3Confident12 Ų1238.5 Ų38.56%0.06221%0.206CC..Hα-helixtrans-76-41.2176.1-64.1177.4000110F588 M591 E592 E596 A597 M598 L631 L650 A654F588-I594 HydrophobicContact CG-CG2 4.48Å; M591-I594 HydrophobicContact CB-CB 4.37Å; M591-I594 HydrophobicContact CB-CD1 4.29Å; M591-I594 PolarHBondContact O-N 2.82Å; M591-I594 HydrophobicContact SD-CD1 4.1Å; E592-I594 PolarHBondContact O-N 2.91Å; I594-E596 PolarHBondContact O-N 3.43Å; I594-A597 PolarHBondContact O-N 3.37Å; I594-M598 HydrophobicContact CG2-CG 4.33Å; I594-M598 HydrophobicContact CG2-SD 4.18Å; I594-M598 VanDerWaalsContact O-CG 3.3Å; I594-M598 WeakPolarHBondContact O-CG 3.35Å; I594-M598 PolarHBondContact O-N 2.85Å; I594-L631 HydrophobicContact CG1-CD1 4.25Å; I594-L650 HydrophobicContact CG2-CD1 4.09Å; I594-L650 HydrophobicContact CG2-CD2 3.88Å; I594-L650 HydrophobicContact CG2-CG 4.06Å; I594-A654 HydrophobicContact CD1-CB 3.37Å
595R91.2Very high89.4Confident28 Ų2839.5 Ų39.511%0.10621%0.211CC..Hα-helixtrans-60.1-47.7177.9-64.3-177.467.5-140.6-4.1111S585 F588 M591 E592 A597 M598 H599S585-R595 PolarHBondContact OG-NE 2.8Å; S585-R595 VanDerWaalsContact OG-NE 3.09Å; F588-R595 HydrophobicContact CB-CG 4.16Å; F588-R595 WeakPolarHBondContact O-CD 3.13Å; M591-R595 PolarHBondContact O-N 3.38Å; M591-R595 VanDerWaalsContact O-N 3.13Å; E592-R595 WeakPolarHBondContact O-CB 3.4Å; E592-R595 PolarHBondContact O-N 3.03Å; E592-R595 IonicContact OE1-NH1 2.66Å; E592-R595 PolarHBondContact OE1-NH1 3.03Å; E592-R595 IonicContact OE2-CZ 3.51Å; E592-R595 IonicContact OE2-NH1 2.81Å; E592-R595 PolarHBondContact OE2-NH1 3.22Å; R595-A597 PolarHBondContact O-N 2.91Å; R595-M598 WeakPolarHBondContact O-CB 3.45Å; R595-M598 PolarHBondContact O-N 3.19Å; R595-H599 WeakPolarHBondContact O-CB 3.4Å; R595-H599 PolarHBondContact O-CD2 2.77Å; R595-H599 VanDerWaalsContact O-CD2 3.3Å; R595-H599 PolarHBondContact O-N 3.18Å; R595-H599 PolarHBondContact O-ND1 2.86Å
596E89.8Confident89.5Confident50 Ų5039.5 Ų39.523%0.23421%0.211CC..Hα-helixtrans-60.8-42.7177.3-69.2177.1-176.300111.5E592 I594 H599 G600 N620 P622E592-E596 WeakPolarHBondContact O-CB 3.34Å; E592-E596 VanDerWaalsContact O-CG 3.29Å; E592-E596 WeakPolarHBondContact O-CG 3.47Å; E592-E596 PolarHBondContact O-N 3.16Å; I594-E596 PolarHBondContact O-N 3.43Å; E596-H599 WeakPolarHBondContact O-CB 3.42Å; E596-H599 PolarHBondContact O-N 3.1Å; E596-G600 PolarHBondContact O-N 3.07Å; E596-N620 HydrophobicContact CG-CB 4.24Å; E596-N620 WeakPolarHBondContact CG-O 3.16Å; E596-N620 PolarHBondContact OE1-ND2 3.27Å; E596-P622 HydrophobicContact CB-CG 4.19Å; E596-P622 WeakPolarHBondContact O-CD 3.33Å; E596-P622 VanDerWaalsContact O-CG 3.23Å; E596-P622 WeakPolarHBondContact O-CG 3.34Å
597A90.6Very high89.9Confident3 Ų339.6 Ų39.63%0.02521%0.214CC..Hα-helixtrans-64.6-42.4174.900000112.7A593 I594 R595 H599 G600 A601 I627 L631A593-A597 WeakPolarHBondContact O-CB 3.36Å; A593-A597 PolarHBondContact O-N 2.82Å; I594-A597 PolarHBondContact O-N 3.37Å; R595-A597 PolarHBondContact O-N 2.91Å; A597-H599 VanDerWaalsContact C-N 3.3Å; A597-H599 PolarHBondContact O-N 2.95Å; A597-G600 PolarHBondContact O-N 3.31Å; A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.47Å; A597-I627 HydrophobicContact CB-CG2 3.87Å; A597-L631 HydrophobicContact CB-CD2 3.56Å; A597-L631 HydrophobicContact CB-CG 3.84Å
598M93.6Very high90.2Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-61.1-40.8173.9-72.4178.170.700111.5I547 L584 F588 I594 R595 F602 C635 L638 L650I547-M598 HydrophobicContact CD1-CE 4.04Å; I547-M598 HydrophobicContact CG1-CE 3.95Å; L584-M598 HydrophobicContact CG-CE 4.44Å; F588-M598 HydrophobicContact CD2-CE 4.12Å; F588-M598 HydrophobicContact CD2-SD 3.52Å; F588-M598 VanDerWaalsContact CD2-SD 3.52Å; F588-M598 HydrophobicContact CE2-CE 3.98Å; F588-M598 HydrophobicContact CE2-SD 3.75Å; F588-M598 HydrophobicContact CG-SD 4.36Å; I594-M598 HydrophobicContact CG2-CG 4.33Å; I594-M598 HydrophobicContact CG2-SD 4.18Å; I594-M598 VanDerWaalsContact O-CG 3.3Å; I594-M598 WeakPolarHBondContact O-CG 3.35Å; I594-M598 PolarHBondContact O-N 2.85Å; R595-M598 WeakPolarHBondContact O-CB 3.45Å; R595-M598 PolarHBondContact O-N 3.19Å; M598-F602 VanDerWaalsContact O-CB 3.24Å; M598-F602 WeakPolarHBondContact O-CB 3.43Å; M598-F602 PolarHBondContact O-N 2.8Å; M598-C635 HydrophobicContact CG-CB 4.33Å; M598-L638 HydrophobicContact CE-CD2 3.81Å; M598-L638 HydrophobicContact SD-CD2 4.45Å; M598-L650 HydrophobicContact SD-CD2 4.23Å
599H94.4Very high90.6Very high12 Ų1246.5 Ų46.56%0.05624%0.24CC..Hα-helixtrans-62.5-49.8177.6-67.2169.5000111.5L581 S585 R595 E596 A597 F602 L603 L621L581-H599 HydrophobicContact CD2-CB 3.72Å; L581-H599 HydrophobicContact CG-CB 4.15Å; L581-H599 PolarHBondContact O-NE2 3.26Å; S585-H599 PolarHBondContact OG-NE2 2.82Å; R595-H599 WeakPolarHBondContact O-CB 3.4Å; R595-H599 PolarHBondContact O-CD2 2.77Å; R595-H599 VanDerWaalsContact O-CD2 3.3Å; R595-H599 PolarHBondContact O-N 3.18Å; R595-H599 PolarHBondContact O-ND1 2.86Å; E596-H599 WeakPolarHBondContact O-CB 3.42Å; E596-H599 PolarHBondContact O-N 3.1Å; A597-H599 VanDerWaalsContact C-N 3.3Å; A597-H599 PolarHBondContact O-N 2.95Å; H599-F602 PolarHBondContact O-N 3.07Å; H599-L603 WeakPolarHBondContact O-CB 3.48Å; H599-L603 WeakPolarHBondContact O-CG 3.42Å; H599-L603 PolarHBondContact O-N 3.42Å; H599-L621 HydrophobicContact CB-CD2 4.1Å
600G91.8Very high91.2Very high7 Ų739.4 Ų39.47%0.07222%0.219CC..Hα-helixtrans-61.3-44.317700000112.9E596 A597 Y604E596-G600 PolarHBondContact O-N 3.07Å; A597-G600 PolarHBondContact O-N 3.31Å; G600-Y604 WeakPolarHBondContact O-CB 3.43Å; G600-Y604 PolarHBondContact O-N 3.21Å; G600-Y604 VanDerWaalsContact O-N 3.1Å
601A94.1Very high92.3Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-64.2-42.8177.400000112.6A597 H605 L632 C635 I639A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.47Å; A601-H605 PolarHBondContact O-CD2 2.9Å; A601-H605 VanDerWaalsContact O-CD2 3.26Å; A601-L632 HydrophobicContact CB-CD1 3.87Å; A601-C635 HydrophobicContact CB-CB 4.16Å; A601-I639 HydrophobicContact CB-CD1 3.78Å
602F96.3Very high92.9Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-66.6-48.3178.1178-92.3000111.8I544 A558 F561 I562 L581 L584 M598 H599 Y604 H605 A606 M611 I639I544-F602 HydrophobicContact CD1-CE1 3.69Å; I544-F602 HydrophobicContact CD1-CZ 4.01Å; I544-F602 HydrophobicContact CG1-CE1 4.38Å; I544-F602 HydrophobicContact CG1-CZ 4.19Å; A558-F602 HydrophobicContact CB-CD2 4.28Å; A558-F602 HydrophobicContact CB-CE2 4.07Å; F561-F602 HydrophobicContact CD1-CE1 4.27Å; F561-F602 HydrophobicContact CD1-CE2 4.31Å; F561-F602 AromaticContact CD1-CZ 3.47Å; F561-F602 HydrophobicContact CD1-CZ 3.47Å; F561-F602 VanDerWaalsContact CD1-CZ 3.47Å; F561-F602 HydrophobicContact CE1-CE1 4.21Å; F561-F602 AromaticContact CE1-CZ 3.86Å; F561-F602 HydrophobicContact CE1-CZ 3.86Å; F561-F602 HydrophobicContact CG-CZ 4.11Å; I562-F602 HydrophobicContact CD1-CD2 4.27Å; I562-F602 HydrophobicContact CD1-CE2 4.17Å; I562-F602 HydrophobicContact CG1-CE2 4.09Å; L581-F602 HydrophobicContact CD1-CB 4.47Å; L581-F602 HydrophobicContact CD1-CD1 3.41Å; L581-F602 VanDerWaalsContact CD1-CD1 3.41Å; L581-F602 HydrophobicContact CD1-CE1 3.96Å; L581-F602 HydrophobicContact CD1-CG 4.25Å; L584-F602 HydrophobicContact CD1-CD2 4.16Å; L584-F602 HydrophobicContact CD1-CE2 4.27Å; L584-F602 HydrophobicContact CD2-CB 3.53Å; L584-F602 HydrophobicContact CD2-CD1 4.29Å; L584-F602 HydrophobicContact CD2-CD2 3.73Å; L584-F602 HydrophobicContact CD2-CE2 4.49Å; L584-F602 HydrophobicContact CD2-CG 3.59Å; M598-F602 VanDerWaalsContact O-CB 3.24Å; M598-F602 WeakPolarHBondContact O-CB 3.43Å; M598-F602 PolarHBondContact O-N 2.8Å; H599-F602 PolarHBondContact O-N 3.07Å; F602-Y604 VanDerWaalsContact C-N 3.31Å; F602-Y604 PolarHBondContact O-N 3.18Å; F602-H605 PolarHBondContact O-N 3.16Å; F602-A606 HydrophobicContact CD1-CB 4.24Å; F602-A606 HydrophobicContact CE1-CB 3.97Å; F602-A606 HydrophobicContact CZ-CB 4.39Å; F602-A606 WeakPolarHBondContact O-CB 3.36Å; F602-A606 PolarHBondContact O-N 3Å; F602-M611 HydrophobicContact CE1-SD 4.38Å; F602-I639 HydrophobicContact CB-CD1 3.93Å; F602-I639 HydrophobicContact CD2-CG2 4.29Å
603L95.7Very high93.6Very high11 Ų1130.5 Ų30.56%0.05816%0.159CC..Hα-helixtrans-59.3-42.2179.9-76.7179.2000111.6F375 L581 H599 H605 A606 I607 M611 L621F375-L603 HydrophobicContact CE1-CD1 4.25Å; F375-L603 HydrophobicContact CE1-CD2 4.08Å; F375-L603 HydrophobicContact CE2-CD2 3.82Å; F375-L603 HydrophobicContact CZ-CD1 4.47Å; F375-L603 HydrophobicContact CZ-CD2 3.48Å; F375-L603 VanDerWaalsContact CZ-CD2 3.48Å; L581-L603 HydrophobicContact CD1-CD2 4.13Å; L581-L603 HydrophobicContact CD1-CG 4.11Å; L581-L603 HydrophobicContact CD2-CD1 3.54Å; L581-L603 HydrophobicContact CD2-CD2 3.96Å; L581-L603 HydrophobicContact CD2-CG 3.64Å; H599-L603 WeakPolarHBondContact O-CB 3.48Å; H599-L603 WeakPolarHBondContact O-CG 3.42Å; H599-L603 PolarHBondContact O-N 3.42Å; L603-H605 VanDerWaalsContact C-N 3.3Å; L603-H605 PolarHBondContact O-N 3.46Å; L603-A606 PolarHBondContact O-N 2.77Å; L603-I607 HydrophobicContact CB-CD1 4.07Å; L603-I607 VanDerWaalsContact O-CB 3.24Å; L603-I607 WeakPolarHBondContact O-CB 3.14Å; L603-I607 WeakPolarHBondContact O-CD1 3.48Å; L603-I607 WeakPolarHBondContact O-CG1 3.37Å; L603-I607 PolarHBondContact O-N 3.34Å; L603-M611 HydrophobicContact CD2-CE 4.4Å; L603-M611 HydrophobicContact CD2-SD 4.25Å; L603-L621 HydrophobicContact CD1-CD1 3.92Å; L603-L621 HydrophobicContact CD1-CD2 3.86Å; L603-L621 HydrophobicContact CD1-CG 4.49Å
604Y94.4Very high94.1Very high100 Ų10027.2 Ų27.239%0.39213%0.132SC..Hα-helixtrans-52.4-48.5176.9175.7-94.7000112.3G600 F602 K608 Y624G600-Y604 WeakPolarHBondContact O-CB 3.43Å; G600-Y604 PolarHBondContact O-N 3.21Å; G600-Y604 VanDerWaalsContact O-N 3.1Å; F602-Y604 VanDerWaalsContact C-N 3.31Å; F602-Y604 PolarHBondContact O-N 3.18Å; Y604-K608 WeakPolarHBondContact O-CB 3.46Å; Y604-K608 PolarHBondContact O-N 3.32Å; Y604-Y624 HydrophobicContact CD1-CD2 4.02Å; Y604-Y624 HydrophobicContact CD1-CE1 4.38Å; Y604-Y624 AromaticContact CD1-CE2 3.66Å; Y604-Y624 HydrophobicContact CD1-CE2 3.66Å; Y604-Y624 HydrophobicContact CD1-CG 4.49Å; Y604-Y624 AromaticContact CD1-CZ 3.88Å; Y604-Y624 AromaticContact CD2-CD1 3.96Å; Y604-Y624 HydrophobicContact CD2-CD1 3.96Å; Y604-Y624 AromaticContact CD2-CD2 3.92Å; Y604-Y624 HydrophobicContact CD2-CD2 3.92Å; Y604-Y624 HydrophobicContact CD2-CE1 4.4Å; Y604-Y624 HydrophobicContact CD2-CE2 4.34Å; Y604-Y624 AromaticContact CD2-CG 3.7Å; Y604-Y624 HydrophobicContact CD2-CG 3.7Å; Y604-Y624 HydrophobicContact CE1-CE1 4.36Å; Y604-Y624 HydrophobicContact CE1-CE2 4.37Å; Y604-Y624 HydrophobicContact CE2-CD1 4.12Å; Y604-Y624 HydrophobicContact CE2-CE1 4.37Å; Y604-Y624 HydrophobicContact CE2-CG 4.33Å; Y604-Y624 HydrophobicContact CG-CD1 4.25Å; Y604-Y624 AromaticContact CG-CD2 3.49Å; Y604-Y624 HydrophobicContact CG-CD2 3.49Å; Y604-Y624 VanDerWaalsContact CG-CD2 3.49Å; Y604-Y624 HydrophobicContact CG-CE1 4.42Å; Y604-Y624 AromaticContact CG-CE2 3.65Å; Y604-Y624 HydrophobicContact CG-CE2 3.65Å; Y604-Y624 AromaticContact CG-CG 3.8Å; Y604-Y624 HydrophobicContact CG-CG 3.8Å
605H95.3Very high94.5Very high22 Ų2227.6 Ų27.610%0.10213%0.134CC..Hα-helixtrans-75.9-38.1179.9-70.6-63.5000112.8I562 A601 F602 L603 K608 N609 E636 W640I562-H605 HydrophobicContact CD1-CB 4.07Å; A601-H605 PolarHBondContact O-CD2 2.9Å; A601-H605 VanDerWaalsContact O-CD2 3.26Å; F602-H605 PolarHBondContact O-N 3.16Å; L603-H605 VanDerWaalsContact C-N 3.3Å; L603-H605 PolarHBondContact O-N 3.46Å; H605-K608 PolarHBondContact O-N 3.48Å; H605-N609 PolarHBondContact O-N 3.45Å; H605-N609 PolarHBondContact O-ND2 3.16Å; H605-E636 IonicContact CD2-OE1 2.99Å; H605-E636 IonicContact CE1-OE1 3.15Å; H605-E636 PolarHBondContact CE1-OE1 3.28Å; H605-E636 IonicContact NE2-OE1 2.87Å; H605-E636 PolarHBondContact NE2-OE1 2.88Å; H605-W640 HydrophobicContact CB-CZ2 3.91Å; H605-W640 AromaticContact CD2-NE1 3.43Å; H605-W640 PolarHBondContact CD2-NE1 2.58Å; H605-W640 AromaticContact CE1-NE1 3.76Å; H605-W640 AromaticContact CG-CZ2 3.71Å; H605-W640 AromaticContact CG-NE1 3.74Å; H605-W640 AromaticContact ND1-CZ2 3.74Å; H605-W640 AromaticContact ND1-NE1 3.93Å; H605-W640 AromaticContact NE2-NE1 3.45Å; H605-W640 PolarHBondContact NE2-NE1 3.22Å
606A95.8Very high94.7Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-67.2-44.7179.600000111.9I562 F602 L603 K608 N609 G610 M611I562-A606 HydrophobicContact CG1-CB 4.39Å; F602-A606 HydrophobicContact CD1-CB 4.24Å; F602-A606 HydrophobicContact CE1-CB 3.97Å; F602-A606 HydrophobicContact CZ-CB 4.39Å; F602-A606 WeakPolarHBondContact O-CB 3.36Å; F602-A606 PolarHBondContact O-N 3Å; L603-A606 PolarHBondContact O-N 2.77Å; A606-K608 VanDerWaalsContact C-N 3.33Å; A606-K608 PolarHBondContact O-N 3.42Å; A606-N609 CarbonylContact O-C 3.45Å; A606-N609 PolarHBondContact O-N 2.79Å; A606-G610 PolarHBondContact O-N 3.33Å; A606-G610 VanDerWaalsContact O-N 3.16Å; A606-M611 HydrophobicContact CB-CB 3.96Å; A606-M611 HydrophobicContact CB-CG 4.44Å; A606-M611 HydrophobicContact CB-SD 3.57Å; A606-M611 VanDerWaalsContact CB-SD 3.57Å; A606-M611 WeakPolarHBondContact O-CB 3.4Å; A606-M611 PolarHBondContact O-N 3.08Å
607I95Very high94.7Very high70 Ų7025.5 Ų25.536%0.35913%0.127SC..Hα-helixtrans-60.8-43.9176-66.8164.2000110.1F375 L603 N609 G610F375-I607 HydrophobicContact CB-CD1 3.65Å; F375-I607 HydrophobicContact CB-CG1 4.13Å; F375-I607 HydrophobicContact CD1-CD1 4.44Å; F375-I607 HydrophobicContact CD2-CD1 3.77Å; F375-I607 HydrophobicContact CD2-CG1 3.6Å; F375-I607 HydrophobicContact CE2-CD1 4.5Å; F375-I607 HydrophobicContact CE2-CG1 4.26Å; F375-I607 HydrophobicContact CG-CD1 3.7Å; F375-I607 HydrophobicContact CG-CG1 4.06Å; L603-I607 HydrophobicContact CB-CD1 4.07Å; L603-I607 VanDerWaalsContact O-CB 3.24Å; L603-I607 WeakPolarHBondContact O-CB 3.14Å; L603-I607 WeakPolarHBondContact O-CD1 3.48Å; L603-I607 WeakPolarHBondContact O-CG1 3.37Å; L603-I607 PolarHBondContact O-N 3.34Å; I607-N609 PolarHBondContact O-N 2.98Å; I607-G610 PolarHBondContact O-N 3.11Å
608K93.6Very high94.2Very high155 Ų15526 Ų2667%0.67413%0.131SC*.Hα-helixtrans-59.3-28.2175.9-175.7175.3-179.1177.70113.3Y604 H605 A606Y604-K608 WeakPolarHBondContact O-CB 3.46Å; Y604-K608 PolarHBondContact O-N 3.32Å; H605-K608 PolarHBondContact O-N 3.48Å; A606-K608 VanDerWaalsContact C-N 3.33Å; A606-K608 PolarHBondContact O-N 3.42Å
609N95.3Very high93.3Very high41 Ų4127.9 Ų27.922%0.21915%0.15CC..THydrogen-bonded Turntrans-94.36.8176.2-74.2-84.3000113.1I562 K566 H605 A606 I607I562-N609 HydrophobicContact CG2-CB 3.97Å; I562-N609 VanDerWaalsContact CG2-ND2 3.34Å; I562-N609 WeakPolarHBondContact CG2-ND2 3.27Å; K566-N609 WeakPolarHBondContact CA-O 3.45Å; K566-N609 HydrophobicContact CB-CB 4.2Å; H605-N609 PolarHBondContact O-N 3.45Å; H605-N609 PolarHBondContact O-ND2 3.16Å; A606-N609 CarbonylContact O-C 3.45Å; A606-N609 PolarHBondContact O-N 2.79Å; I607-N609 PolarHBondContact O-N 2.98Å
610G92.6Very high92.6Very high20 Ų2030 Ų3021%0.20616%0.162CC..THydrogen-bonded Turntrans99.722.8171.100000115.7K569 A606 I607 D612K569-G610 WeakPolarHBondContact CD-O 3.26Å; K569-G610 WeakPolarHBondContact CG-O 3.39Å; A606-G610 PolarHBondContact O-N 3.33Å; A606-G610 VanDerWaalsContact O-N 3.16Å; I607-G610 PolarHBondContact O-N 3.11Å; G610-D612 PolarHBondContact O-N 2.89Å
611M97Very high92.1Very high4 Ų431.9 Ų31.92%0.0217%0.17CC..  trans-69.6117.3166.9-171.2176.6178.300109.8F375 I544 F561 T565 F602 L603 A606 M613F375-M611 HydrophobicContact CE2-CE 4.13Å; F375-M611 HydrophobicContact CE2-CG 4.12Å; F375-M611 HydrophobicContact CE2-SD 4.27Å; F375-M611 HydrophobicContact CZ-CE 4.39Å; I544-M611 HydrophobicContact CD1-CE 4.12Å; F561-M611 HydrophobicContact CE1-SD 3.9Å; F561-M611 HydrophobicContact CZ-CE 4.32Å; F561-M611 HydrophobicContact CZ-SD 4.25Å; T565-M611 HydrophobicContact CG2-CB 4.12Å; F602-M611 HydrophobicContact CE1-SD 4.38Å; L603-M611 HydrophobicContact CD2-CE 4.4Å; L603-M611 HydrophobicContact CD2-SD 4.25Å; A606-M611 HydrophobicContact CB-CB 3.96Å; A606-M611 HydrophobicContact CB-CG 4.44Å; A606-M611 HydrophobicContact CB-SD 3.57Å; A606-M611 VanDerWaalsContact CB-SD 3.57Å; A606-M611 WeakPolarHBondContact O-CB 3.4Å; A606-M611 PolarHBondContact O-N 3.08Å; M611-M613 WeakPolarHBondContact CE-O 3.43Å
612D97.1Very high91.5Very high33 Ų3333.9 Ų33.918%0.17618%0.183CC..  trans-88.1-32.7-172-54-86.7000112.5V376 K569 R576 V577 G610V376-D612 PolarHBondContact N-O 3.19Å; K569-D612 VanDerWaalsContact NZ-CG 3.26Å; K569-D612 IonicContact NZ-OD1 3.47Å; K569-D612 PolarHBondContact NZ-OD1 3.25Å; K569-D612 IonicContact NZ-OD2 2.81Å; K569-D612 PolarHBondContact NZ-OD2 2.98Å; R576-D612 WeakPolarHBondContact CA-OD2 3.25Å; R576-D612 HydrophobicContact CB-CB 4.23Å; R576-D612 WeakPolarHBondContact CB-OD2 3.21Å; R576-D612 HydrophobicContact CG-CB 4.28Å; V577-D612 PolarHBondContact N-OD2 3.23Å; V577-D612 PolarHBondContact O-N 3.37Å; V577-D612 VanDerWaalsContact O-N 3.11Å; G610-D612 PolarHBondContact O-N 2.89Å
613M97.8Very high90.8Very high3 Ų338.1 Ų38.12%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-152.9170.2-174.468-169.570.800111.6L359 I369 F375 V376 I378 I539 R576 V577 S578 M611L359-M613 HydrophobicContact CD2-CE 3.75Å; I369-M613 HydrophobicContact CD1-CE 4.01Å; F375-M613 WeakPolarHBondContact CE2-O 3.5Å; F375-M613 VanDerWaalsContact CZ-C 3.49Å; V376-M613 HydrophobicContact CB-CB 3.68Å; V376-M613 HydrophobicContact CG1-CB 4.33Å; V376-M613 WeakPolarHBondContact O-CA 3.45Å; I378-M613 HydrophobicContact CD1-CB 4.42Å; I378-M613 HydrophobicContact CD1-CG 4.16Å; I378-M613 HydrophobicContact CD1-SD 4.06Å; I539-M613 HydrophobicContact CD1-CE 4.2Å; I539-M613 HydrophobicContact CD1-SD 3.75Å; I539-M613 HydrophobicContact CG1-CE 4.24Å; I539-M613 HydrophobicContact CG1-SD 4.17Å; I539-M613 HydrophobicContact CG2-SD 4.06Å; R576-M613 HydrophobicContact CB-CE 4.08Å; R576-M613 HydrophobicContact CG-CE 4.5Å; V577-M613 PolarHBondContact O-N 2.97Å; S578-M613 WeakPolarHBondContact CA-O 3.33Å; M611-M613 WeakPolarHBondContact CE-O 3.43Å
614G96.8Very high90.2Very high0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-165.6155.5172.700000113.5F375 V376 I378 G579 V616F375-G614 VanDerWaalsContact CZ-N 3.27Å; V376-G614 PolarHBondContact O-N 2.87Å; V376-G614 VanDerWaalsContact O-N 3.1Å; I378-G614 WeakPolarHBondContact CB-O 3.29Å; I378-G614 PolarHBondContact N-O 3.11Å; G579-G614 WeakPolarHBondContact O-CA 3.32Å; G614-V616 PolarHBondContact O-N 3.13Å
615I97Very high89.5Confident20 Ų2041.4 Ų41.410%0.10323%0.23CC..EExtended strand (participates in β ladder)trans-83.5110.2173.9-57.8167.6000107.5I378 E380 D418 N474 G579 L581I378-I615 HydrophobicContact CB-CG1 4.12Å; I378-I615 HydrophobicContact CD1-CG1 4.28Å; I378-I615 HydrophobicContact CG2-CG1 4.15Å; I378-I615 CarbonylContact O-C 3.59Å; I378-I615 WeakPolarHBondContact O-CA 3.37Å; E380-I615 HydrophobicContact CB-CG2 3.54Å; D418-I615 HydrophobicContact CB-CG2 4.33Å; N474-I615 VanDerWaalsContact ND2-CD1 3.31Å; N474-I615 WeakPolarHBondContact ND2-CD1 3.26Å; G579-I615 PolarHBondContact O-N 3.37Å; L581-I615 PolarHBondContact N-O 2.9Å
616V94.4Very high88.9Confident1 Ų146.7 Ų46.71%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-140.8159.1-166.3-58.40000111.7F375 N377 I378 E380 L581 G614 A618 L621F375-V616 HydrophobicContact CE1-CG1 4.22Å; F375-V616 HydrophobicContact CZ-CG1 4.3Å; N377-V616 HydrophobicContact CB-CG2 3.83Å; I378-V616 PolarHBondContact O-N 3.03Å; I378-V616 VanDerWaalsContact O-O 3.12Å; E380-V616 PolarHBondContact N-O 3.02Å; L581-V616 HydrophobicContact CB-CG1 3.82Å; L581-V616 HydrophobicContact CD2-CB 4.39Å; L581-V616 HydrophobicContact CD2-CG1 3.56Å; L581-V616 HydrophobicContact CG-CG1 4.36Å; G614-V616 PolarHBondContact O-N 3.13Å; V616-A618 PolarHBondContact O-N 3.2Å; V616-L621 HydrophobicContact CB-CD1 4.09Å; V616-L621 HydrophobicContact CG1-CD1 4.38Å; V616-L621 HydrophobicContact CG2-CD1 3.93Å
617N90.5Very high88.5Confident33 Ų3347.2 Ų47.218%0.17626%0.262CS..  trans-82.792.5164.2-174.89.8000109.9E380 G619 N620E380-N617 HydrophobicContact CG-CB 4.21Å; N617-G619 PolarHBondContact O-N 3.49Å; N617-N620 HydrophobicContact CB-CB 4.36Å; N617-N620 WeakPolarHBondContact ND2-CB 3.06Å; N617-N620 VanDerWaalsContact ND2-CG 3.29Å; N617-N620 PolarHBondContact ND2-OD1 3.06Å; N617-N620 PolarHBondContact O-N 3.27Å
618A79.6Confident88.2Confident13 Ų1347.5 Ų47.511%0.10726%0.264CS..G310 helixtrans-52.7-31.7-169.500000115.3N377 A414 V616N377-A618 HydrophobicContact CB-CB 4.28Å; A414-A618 HydrophobicContact CB-CB 3.9Å; V616-A618 PolarHBondContact O-N 3.2Å
619G75Confident88.1Confident40 Ų4049 Ų4941%0.41227%0.271SS..G310 helixtrans-82.8-5.9-179.800000115.8N617N617-G619 PolarHBondContact O-N 3.49Å
620N79.6Confident87.9Confident57 Ų5752.6 Ų52.631%0.30529%0.286SS..G310 helixtrans-126.733.9-168.8-7078.9000112.3E596 N617 P622E596-N620 HydrophobicContact CG-CB 4.24Å; E596-N620 WeakPolarHBondContact CG-O 3.16Å; E596-N620 PolarHBondContact OE1-ND2 3.27Å; N617-N620 HydrophobicContact CB-CB 4.36Å; N617-N620 WeakPolarHBondContact ND2-CB 3.06Å; N617-N620 VanDerWaalsContact ND2-CG 3.29Å; N617-N620 PolarHBondContact ND2-OD1 3.06Å; N617-N620 PolarHBondContact O-N 3.27Å; N620-P622 WeakPolarHBondContact O-CD 3.22Å
621L82.4Confident87.8Confident46 Ų4652.3 Ų52.324%0.24128%0.28CS..  trans-104.6105.4175.5-66.9179000109.9L581 H599 L603 V616L581-L621 HydrophobicContact CD2-CD2 3.94Å; H599-L621 HydrophobicContact CB-CD2 4.1Å; L603-L621 HydrophobicContact CD1-CD1 3.92Å; L603-L621 HydrophobicContact CD1-CD2 3.86Å; L603-L621 HydrophobicContact CD1-CG 4.49Å; V616-L621 HydrophobicContact CB-CD1 4.09Å; V616-L621 HydrophobicContact CG1-CD1 4.38Å; V616-L621 HydrophobicContact CG2-CD1 3.93Å
622P81.1Confident87.5Confident42 Ų4253.2 Ų53.227%0.27329%0.285SS..  trans-69.6145.9176.828.1-32.6000110.5E596 N620 Y624 I627E596-P622 HydrophobicContact CB-CG 4.19Å; E596-P622 WeakPolarHBondContact O-CD 3.33Å; E596-P622 VanDerWaalsContact O-CG 3.23Å; E596-P622 WeakPolarHBondContact O-CG 3.34Å; N620-P622 WeakPolarHBondContact O-CD 3.22Å; P622-Y624 PolarHBondContact O-N 3.27Å; P622-I627 HydrophobicContact CB-CG1 4.13Å; P622-I627 HydrophobicContact CG-CD1 4.19Å; P622-I627 HydrophobicContact CG-CG1 4.17Å
623V81.9Confident87.3Confident90 Ų9056.9 Ų56.955%0.54530%0.304SS..  trans-66.9132.2170.8-178.60000108.2D625 D626 I627V623-D625 VanDerWaalsContact C-N 3.25Å; V623-D625 PolarHBondContact O-N 3.33Å; V623-D625 VanDerWaalsContact O-N 3.17Å; V623-D626 HydrophobicContact CB-CB 4.35Å; V623-D626 PolarHBondContact O-N 2.89Å; V623-I627 PolarHBondContact O-N 3.17Å
624Y82.6Confident87Confident44 Ų4458.1 Ų58.117%0.17331%0.31CS..G310 helixtrans-51-42.8-174.3179.8-90.8000113.4Y604 P622 D626 I627 L632 E636Y604-Y624 HydrophobicContact CD1-CD2 4.02Å; Y604-Y624 HydrophobicContact CD1-CE1 4.38Å; Y604-Y624 AromaticContact CD1-CE2 3.66Å; Y604-Y624 HydrophobicContact CD1-CE2 3.66Å; Y604-Y624 HydrophobicContact CD1-CG 4.49Å; Y604-Y624 AromaticContact CD1-CZ 3.88Å; Y604-Y624 AromaticContact CD2-CD1 3.96Å; Y604-Y624 HydrophobicContact CD2-CD1 3.96Å; Y604-Y624 AromaticContact CD2-CD2 3.92Å; Y604-Y624 HydrophobicContact CD2-CD2 3.92Å; Y604-Y624 HydrophobicContact CD2-CE1 4.4Å; Y604-Y624 HydrophobicContact CD2-CE2 4.34Å; Y604-Y624 AromaticContact CD2-CG 3.7Å; Y604-Y624 HydrophobicContact CD2-CG 3.7Å; Y604-Y624 HydrophobicContact CE1-CE1 4.36Å; Y604-Y624 HydrophobicContact CE1-CE2 4.37Å; Y604-Y624 HydrophobicContact CE2-CD1 4.12Å; Y604-Y624 HydrophobicContact CE2-CE1 4.37Å; Y604-Y624 HydrophobicContact CE2-CG 4.33Å; Y604-Y624 HydrophobicContact CG-CD1 4.25Å; Y604-Y624 AromaticContact CG-CD2 3.49Å; Y604-Y624 HydrophobicContact CG-CD2 3.49Å; Y604-Y624 VanDerWaalsContact CG-CD2 3.49Å; Y604-Y624 HydrophobicContact CG-CE1 4.42Å; Y604-Y624 AromaticContact CG-CE2 3.65Å; Y604-Y624 HydrophobicContact CG-CE2 3.65Å; Y604-Y624 AromaticContact CG-CG 3.8Å; Y604-Y624 HydrophobicContact CG-CG 3.8Å; P622-Y624 PolarHBondContact O-N 3.27Å; Y624-D626 VanDerWaalsContact C-N 3.28Å; Y624-D626 PolarHBondContact O-N 3.12Å; Y624-I627 PolarHBondContact O-N 3.12Å; Y624-L632 HydrophobicContact CD2-CD1 4.14Å; Y624-L632 HydrophobicContact CE1-CD2 4.01Å; Y624-L632 HydrophobicContact CE2-CD1 3.65Å; Y624-L632 HydrophobicContact CE2-CD2 4.32Å; Y624-L632 HydrophobicContact CE2-CG 4.49Å; Y624-E636 PolarHBondContact OH-OE1 3.38Å
625D78.8Confident86.9Confident136 Ų13658.1 Ų58.173%0.72731%0.31SS*.G310 helixtrans-71.9-19.7-178-66.5-31.9000113.7V623V623-D625 VanDerWaalsContact C-N 3.25Å; V623-D625 PolarHBondContact O-N 3.33Å; V623-D625 VanDerWaalsContact O-N 3.17Å
626D83.3Confident86.7Confident132 Ų13258.3 Ų58.371%0.70631%0.311SS*.G310 helixtrans-90.4-7.2-179.9-66.3-23.9000112.7V623 Y624V623-D626 HydrophobicContact CB-CB 4.35Å; V623-D626 PolarHBondContact O-N 2.89Å; Y624-D626 VanDerWaalsContact C-N 3.28Å; Y624-D626 PolarHBondContact O-N 3.12Å
627I86.5Confident86.7Confident12 Ų1259.1 Ų59.16%0.06232%0.316CS..SBendtrans-70.8132.9176.3-57.2173.4000109.1A597 P622 V623 Y624 K629 L632A597-I627 HydrophobicContact CB-CG2 3.87Å; P622-I627 HydrophobicContact CB-CG1 4.13Å; P622-I627 HydrophobicContact CG-CD1 4.19Å; P622-I627 HydrophobicContact CG-CG1 4.17Å; V623-I627 PolarHBondContact O-N 3.17Å; Y624-I627 PolarHBondContact O-N 3.12Å; I627-K629 PolarHBondContact O-N 2.71Å; I627-L632 HydrophobicContact CB-CB 4.35Å; I627-L632 HydrophobicContact CB-CD1 4.39Å; I627-L632 HydrophobicContact CD1-CD1 4.2Å; I627-L632 HydrophobicContact CG2-CB 3.88Å; I627-L632 HydrophobicContact CG2-CD1 4.29Å
628D90.5Very high86.8Confident76 Ų7657.9 Ų57.941%0.40631%0.31SS..  trans-48.6126.2175174.5-110.5000111.1E630 L631 L632 Y653D628-E630 PolarHBondContact O-N 3.05Å; D628-E630 VanDerWaalsContact O-N 3.17Å; D628-E630 WeakPolarHBondContact OD1-CB 3.38Å; D628-E630 PolarHBondContact OD1-N 2.9Å; D628-L631 HydrophobicContact CB-CB 4.1Å; D628-L631 PolarHBondContact O-N 3.46Å; D628-L631 VanDerWaalsContact O-N 3.09Å; D628-L631 PolarHBondContact OD1-N 3.13Å; D628-L631 VanDerWaalsContact OD1-N 3.15Å; D628-L632 WeakPolarHBondContact O-CB 3.36Å; D628-L632 PolarHBondContact O-N 2.59Å; D628-Y653 PolarHBondContact OD1-OH 2.85Å
629K90.9Very high87.5Confident185 Ų18557.3 Ų57.380%0.80431%0.305SS*.Hα-helixtrans-60.1-33.8-169.3-66.6-176.5179.2179.40113.2I627 L633I627-K629 PolarHBondContact O-N 2.71Å; K629-L633 WeakPolarHBondContact O-CB 3.14Å; K629-L633 PolarHBondContact O-N 3.09Å; K629-L633 VanDerWaalsContact O-N 3.17Å
630E89.9Confident88.5Confident117 Ų11758.4 Ų58.455%0.54730%0.297SS..Hα-helixtrans-70.5-48.2177-171.8-177.4178.600110.5D628 L632 L633 L634 Y653D628-E630 PolarHBondContact O-N 3.05Å; D628-E630 VanDerWaalsContact O-N 3.17Å; D628-E630 WeakPolarHBondContact OD1-CB 3.38Å; D628-E630 PolarHBondContact OD1-N 2.9Å; E630-L632 VanDerWaalsContact C-N 3.34Å; E630-L632 PolarHBondContact O-N 3.44Å; E630-L633 PolarHBondContact O-N 3.07Å; E630-L634 WeakPolarHBondContact O-CG 3.29Å; E630-L634 PolarHBondContact O-N 3.41Å; E630-L634 VanDerWaalsContact O-N 3.17Å; E630-Y653 HydrophobicContact CB-CE2 4.26Å; E630-Y653 HydrophobicContact CG-CD2 4.3Å; E630-Y653 HydrophobicContact CG-CE2 3.9Å
631L90.6Very high89.2Confident15 Ų1558.2 Ų58.28%0.07930%0.296CS..Hα-helixtrans-61.9-40175.8-17957.7000112.5I594 A597 D628 L634 C635 L650 Y653I594-L631 HydrophobicContact CG1-CD1 4.25Å; A597-L631 HydrophobicContact CB-CD2 3.56Å; A597-L631 HydrophobicContact CB-CG 3.84Å; D628-L631 HydrophobicContact CB-CB 4.1Å; D628-L631 PolarHBondContact O-N 3.46Å; D628-L631 VanDerWaalsContact O-N 3.09Å; D628-L631 PolarHBondContact OD1-N 3.13Å; D628-L631 VanDerWaalsContact OD1-N 3.15Å; L631-L634 PolarHBondContact O-N 3.5Å; L631-C635 WeakPolarHBondContact O-CB 3.35Å; L631-C635 PolarHBondContact O-N 3.06Å; L631-C635 PolarHBondContact O-SG 2.99Å; L631-L650 HydrophobicContact CD1-CD1 3.8Å; L631-Y653 HydrophobicContact CB-CE1 4.15Å; L631-Y653 HydrophobicContact CD1-CD1 4.06Å; L631-Y653 HydrophobicContact CD1-CE1 3.89Å; L631-Y653 HydrophobicContact CD2-CE1 4.47Å; L631-Y653 HydrophobicContact CG-CE1 4.39Å
632L91.6Very high89.6Confident23 Ų2363 Ų6312%0.1231%0.31CS..Hα-helixtrans-61.4-46.8177.8-178.159.7000111.2A601 Y624 I627 D628 E630 L634 C635 E636A601-L632 HydrophobicContact CB-CD1 3.87Å; Y624-L632 HydrophobicContact CD2-CD1 4.14Å; Y624-L632 HydrophobicContact CE1-CD2 4.01Å; Y624-L632 HydrophobicContact CE2-CD1 3.65Å; Y624-L632 HydrophobicContact CE2-CD2 4.32Å; Y624-L632 HydrophobicContact CE2-CG 4.49Å; I627-L632 HydrophobicContact CB-CB 4.35Å; I627-L632 HydrophobicContact CB-CD1 4.39Å; I627-L632 HydrophobicContact CD1-CD1 4.2Å; I627-L632 HydrophobicContact CG2-CB 3.88Å; I627-L632 HydrophobicContact CG2-CD1 4.29Å; D628-L632 WeakPolarHBondContact O-CB 3.36Å; D628-L632 PolarHBondContact O-N 2.59Å; E630-L632 VanDerWaalsContact C-N 3.34Å; E630-L632 PolarHBondContact O-N 3.44Å; L632-L634 VanDerWaalsContact C-N 3.31Å; L632-L634 PolarHBondContact O-N 3.15Å; L632-C635 PolarHBondContact O-N 3.2Å; L632-E636 HydrophobicContact CD1-CG 4.48Å; L632-E636 WeakPolarHBondContact O-CG 3.27Å; L632-E636 PolarHBondContact O-N 3.31Å
633L92.4Very high89.8Confident109 Ų10963.2 Ų63.257%0.57131%0.309SS*.Hα-helixtrans-60.4-40.8177.7-17084.7000111.8K629 E630 S637K629-L633 WeakPolarHBondContact O-CB 3.14Å; K629-L633 PolarHBondContact O-N 3.09Å; K629-L633 VanDerWaalsContact O-N 3.17Å; E630-L633 PolarHBondContact O-N 3.07Å; L633-S637 WeakPolarHBondContact O-CB 3.25Å; L633-S637 PolarHBondContact O-N 3.15Å; L633-S637 PolarHBondContact O-OG 3.21Å
634L92.6Very high89.9Confident29 Ų2963.1 Ų63.115%0.15232%0.318CS..Hα-helixtrans-66.1-44176.9-68.2171.9000111.4E630 L631 L632 S637 L638 K649 L650 Y653E630-L634 WeakPolarHBondContact O-CG 3.29Å; E630-L634 PolarHBondContact O-N 3.41Å; E630-L634 VanDerWaalsContact O-N 3.17Å; L631-L634 PolarHBondContact O-N 3.5Å; L632-L634 VanDerWaalsContact C-N 3.31Å; L632-L634 PolarHBondContact O-N 3.15Å; L634-S637 PolarHBondContact O-N 3.41Å; L634-L638 PolarHBondContact O-N 3.26Å; L634-L638 VanDerWaalsContact O-N 3.07Å; L634-K649 HydrophobicContact CD2-CB 3.95Å; L634-L650 HydrophobicContact CB-CD1 3.8Å; L634-L650 HydrophobicContact CD1-CD1 4.38Å; L634-Y653 HydrophobicContact CD1-CD2 3.76Å; L634-Y653 HydrophobicContact CD1-CG 3.82Å
635C93.3Very high90.1Very high0 Ų065 Ų650%033%0.331CS..Hα-helixtrans-63-44.5175.9-670000111.5M598 A601 L631 L632 S637 L638 I639M598-C635 HydrophobicContact CG-CB 4.33Å; A601-C635 HydrophobicContact CB-CB 4.16Å; L631-C635 WeakPolarHBondContact O-CB 3.35Å; L631-C635 PolarHBondContact O-N 3.06Å; L631-C635 PolarHBondContact O-SG 2.99Å; L632-C635 PolarHBondContact O-N 3.2Å; C635-S637 VanDerWaalsContact C-N 3.35Å; C635-S637 PolarHBondContact O-N 3.45Å; C635-L638 PolarHBondContact O-N 3.05Å; C635-I639 WeakPolarHBondContact O-CB 3.5Å; C635-I639 WeakPolarHBondContact O-CD1 3.36Å; C635-I639 VanDerWaalsContact O-CG1 3.28Å; C635-I639 WeakPolarHBondContact O-CG1 3.25Å; C635-I639 PolarHBondContact O-N 2.98Å
636E93.4Very high90.4Very high25 Ų2558.7 Ų58.712%0.11730%0.298CS..Hα-helixtrans-62-41.8175.7-76.5-149.5139.800112.4H605 Y624 L632 L638 I639 W640 R642H605-E636 IonicContact CD2-OE1 2.99Å; H605-E636 IonicContact CE1-OE1 3.15Å; H605-E636 PolarHBondContact CE1-OE1 3.28Å; H605-E636 IonicContact NE2-OE1 2.87Å; H605-E636 PolarHBondContact NE2-OE1 2.88Å; Y624-E636 PolarHBondContact OH-OE1 3.38Å; L632-E636 HydrophobicContact CD1-CG 4.48Å; L632-E636 WeakPolarHBondContact O-CG 3.27Å; L632-E636 PolarHBondContact O-N 3.31Å; E636-L638 VanDerWaalsContact C-N 3.27Å; E636-L638 PolarHBondContact O-N 2.98Å; E636-I639 PolarHBondContact O-N 2.71Å; E636-W640 WeakPolarHBondContact O-CB 3.45Å; E636-W640 PolarHBondContact O-N 3.45Å; E636-R642 IonicContact OE2-CZ 3.91Å; E636-R642 IonicContact OE2-NH1 3.57Å; E636-R642 PolarHBondContact OE2-NH1 3.37Å; E636-R642 VanDerWaalsContact OE2-NH1 3.13Å; E636-R642 IonicContact OE2-NH2 3.62Å
637S93.3Very high90.5Very high17 Ų1753.4 Ų53.412%0.11927%0.271CS..Hα-helixtrans-64.1-37.1-179.7-59.80000111.2L633 L634 C635 N641 R642L633-S637 WeakPolarHBondContact O-CB 3.25Å; L633-S637 PolarHBondContact O-N 3.15Å; L633-S637 PolarHBondContact O-OG 3.21Å; L634-S637 PolarHBondContact O-N 3.41Å; C635-S637 VanDerWaalsContact C-N 3.35Å; C635-S637 PolarHBondContact O-N 3.45Å; S637-N641 WeakPolarHBondContact O-CA 3.23Å; S637-N641 PolarHBondContact O-N 3.32Å; S637-N641 VanDerWaalsContact O-N 3.17Å; S637-R642 PolarHBondContact O-N 2.73Å
638L93.9Very high90.4Very high8 Ų859.5 Ų59.54%0.04230%0.299CS..Hα-helixtrans-69.7-47.5173.7-176.463.8000112.2I547 F588 M598 L634 C635 E636 W640 N641 A646 L650I547-L638 HydrophobicContact CD1-CD2 4.34Å; I547-L638 HydrophobicContact CD1-CG 3.98Å; I547-L638 HydrophobicContact CG1-CD2 4.5Å; I547-L638 HydrophobicContact CG1-CG 4.46Å; F588-L638 HydrophobicContact CE2-CD2 3.91Å; F588-L638 HydrophobicContact CZ-CD2 4.02Å; M598-L638 HydrophobicContact CE-CD2 3.81Å; M598-L638 HydrophobicContact SD-CD2 4.45Å; L634-L638 PolarHBondContact O-N 3.26Å; L634-L638 VanDerWaalsContact O-N 3.07Å; C635-L638 PolarHBondContact O-N 3.05Å; E636-L638 VanDerWaalsContact C-N 3.27Å; E636-L638 PolarHBondContact O-N 2.98Å; L638-W640 PolarHBondContact O-N 3.26Å; L638-N641 PolarHBondContact O-N 2.86Å; L638-A646 HydrophobicContact CB-CB 4.06Å; L638-A646 HydrophobicContact CD1-CB 3.98Å; L638-L650 HydrophobicContact CD2-CD2 3.65Å
639I94.9Very high90.3Very high0 Ų059.9 Ų59.90%030%0.297CS..Hα-helixtrans-63.5-40.7-178.8-72162.5000111.7I547 A558 V559 I562 A601 F602 C635 E636I547-I639 HydrophobicContact CD1-CG1 4.11Å; A558-I639 HydrophobicContact CB-CG2 4.15Å; V559-I639 WeakPolarHBondContact CG2-O 3.45Å; I562-I639 HydrophobicContact CD1-CG2 4.14Å; A601-I639 HydrophobicContact CB-CD1 3.78Å; F602-I639 HydrophobicContact CB-CD1 3.93Å; F602-I639 HydrophobicContact CD2-CG2 4.29Å; C635-I639 WeakPolarHBondContact O-CB 3.5Å; C635-I639 WeakPolarHBondContact O-CD1 3.36Å; C635-I639 VanDerWaalsContact O-CG1 3.28Å; C635-I639 WeakPolarHBondContact O-CG1 3.25Å; C635-I639 PolarHBondContact O-N 2.98Å; E636-I639 PolarHBondContact O-N 2.71Å
640W95.2Very high90Very high64 Ų6451.1 Ų51.124%0.24226%0.259CS..THydrogen-bonded Turntrans-90.72.5-178.5-72.8108.4000114V559 I562 H605 E636 L638 R642V559-W640 HydrophobicContact CG1-CE3 4.27Å; V559-W640 HydrophobicContact CG1-CZ3 4.19Å; V559-W640 HydrophobicContact CG2-CE3 3.94Å; I562-W640 HydrophobicContact CD1-CH2 4.32Å; I562-W640 HydrophobicContact CD1-CZ2 4.32Å; I562-W640 HydrophobicContact CG2-CH2 4.01Å; H605-W640 HydrophobicContact CB-CZ2 3.91Å; H605-W640 AromaticContact CD2-NE1 3.43Å; H605-W640 PolarHBondContact CD2-NE1 2.58Å; H605-W640 AromaticContact CE1-NE1 3.76Å; H605-W640 AromaticContact CG-CZ2 3.71Å; H605-W640 AromaticContact CG-NE1 3.74Å; H605-W640 AromaticContact ND1-CZ2 3.74Å; H605-W640 AromaticContact ND1-NE1 3.93Å; H605-W640 AromaticContact NE2-NE1 3.45Å; H605-W640 PolarHBondContact NE2-NE1 3.22Å; E636-W640 WeakPolarHBondContact O-CB 3.45Å; E636-W640 PolarHBondContact O-N 3.45Å; L638-W640 PolarHBondContact O-N 3.26Å; W640-R642 HydrophobicContact CB-CG 3.73Å; W640-R642 PolarHBondContact O-N 2.85Å
641N93.1Very high89.7Confident53 Ų5348.8 Ų48.828%0.28325%0.25SC..THydrogen-bonded Turntrans47.643.9-175.2-167.723.6000112.5D556 S637 L638D556-N641 PolarHBondContact OD1-ND2 3.15Å; S637-N641 WeakPolarHBondContact O-CA 3.23Å; S637-N641 PolarHBondContact O-N 3.32Å; S637-N641 VanDerWaalsContact O-N 3.17Å; L638-N641 PolarHBondContact O-N 2.86Å
642R90.8Very high89.4Confident146 Ų14650.2 Ų50.255%0.55126%0.264SS*.  trans-80-21.5-177.6-67.2177.2-174.8160.25.5112.8E636 S637 W640E636-R642 IonicContact OE2-CZ 3.91Å; E636-R642 IonicContact OE2-NH1 3.57Å; E636-R642 PolarHBondContact OE2-NH1 3.37Å; E636-R642 VanDerWaalsContact OE2-NH1 3.13Å; E636-R642 IonicContact OE2-NH2 3.62Å; S637-R642 PolarHBondContact O-N 2.73Å; W640-R642 HydrophobicContact CB-CG 3.73Å; W640-R642 PolarHBondContact O-N 2.85Å
643D87Confident88.9Confident46 Ų4650.6 Ų50.625%0.24626%0.264CS..  trans-137.1121.5-170.8-175.3-12.2000108.9D645 A646 K649D643-D645 PolarHBondContact O-N 3.43Å; D643-D645 PolarHBondContact OD1-N 3.25Å; D643-A646 HydrophobicContact CB-CB 4.24Å; D643-A646 WeakPolarHBondContact O-CB 3.18Å; D643-A646 PolarHBondContact O-N 3.41Å; D643-A646 VanDerWaalsContact O-N 3.13Å; D643-K649 IonicContact OD1-NZ 3.21Å; D643-K649 PolarHBondContact OD1-NZ 2.73Å; D643-K649 WeakPolarHBondContact OD2-CD 3.26Å; D643-K649 IonicContact OD2-NZ 3.6Å; D643-K649 PolarHBondContact OD2-NZ 3.41Å
644A83.8Confident87.9Confident89 Ų8946 Ų4674%0.73624%0.242SC*.THydrogen-bonded Turntrans-62.2-28.2-178.200000112.4
645D85.4Confident86.9Confident82 Ų8251.9 Ų51.944%0.43927%0.268SS..THydrogen-bonded Turntrans-96.713.4-179.3-56-36.8000112.4D643 T647 E648 K649D643-D645 PolarHBondContact O-N 3.43Å; D643-D645 PolarHBondContact OD1-N 3.25Å; D645-T647 PolarHBondContact O-N 2.69Å; D645-E648 PolarHBondContact O-N 3.09Å; D645-E648 VanDerWaalsContact O-N 3.13Å; D645-K649 HydrophobicContact CB-CD 4.29Å; D645-K649 HydrophobicContact CB-CG 4.48Å; D645-K649 WeakPolarHBondContact O-CG 3.44Å; D645-K649 PolarHBondContact O-N 3.04Å
646A85.7Confident85.6Confident4 Ų458.8 Ų58.83%0.03331%0.305CS..Hα-helixtrans-55.8-38-174.300000113.1L638 D643 L650L638-A646 HydrophobicContact CB-CB 4.06Å; L638-A646 HydrophobicContact CD1-CB 3.98Å; D643-A646 HydrophobicContact CB-CB 4.24Å; D643-A646 WeakPolarHBondContact O-CB 3.18Å; D643-A646 PolarHBondContact O-N 3.41Å; D643-A646 VanDerWaalsContact O-N 3.13Å; A646-L650 WeakPolarHBondContact O-CB 3.05Å; A646-L650 PolarHBondContact O-N 3.48Å
647T85.3Confident84Confident22 Ų2264.4 Ų64.414%0.13533%0.329CS..Hα-helixtrans-63.9-46.9178.1-55.40000111.5G548 D645 L651G548-T647 WeakPolarHBondContact O-CG2 3.32Å; D645-T647 PolarHBondContact O-N 2.69Å; T647-L651 HydrophobicContact CG2-CD1 4.29Å; T647-L651 WeakPolarHBondContact O-CG 3.42Å; T647-L651 PolarHBondContact O-N 3.04Å; T647-L651 VanDerWaalsContact O-N 3.12Å
648E85.1Confident81.7Confident140 Ų14066.4 Ų66.465%0.65435%0.352SS*.Hα-helixtrans-67.6-40.7-179.6-63.4-167.9167.600111.6D645 L651 A652D645-E648 PolarHBondContact O-N 3.09Å; D645-E648 VanDerWaalsContact O-N 3.13Å; E648-L651 PolarHBondContact O-N 3.31Å; E648-A652 WeakPolarHBondContact O-CB 3.47Å; E648-A652 PolarHBondContact O-N 2.62Å
649K87.5Confident79.1Confident84 Ų8476.4 Ų76.437%0.36540%0.395SS..Hα-helixtrans-63.5-41.9178.1-71.2171.1-177.2161.50112.1L634 D643 D645 A652 Y653L634-K649 HydrophobicContact CD2-CB 3.95Å; D643-K649 IonicContact OD1-NZ 3.21Å; D643-K649 PolarHBondContact OD1-NZ 2.73Å; D643-K649 WeakPolarHBondContact OD2-CD 3.26Å; D643-K649 IonicContact OD2-NZ 3.6Å; D643-K649 PolarHBondContact OD2-NZ 3.41Å; D645-K649 HydrophobicContact CB-CD 4.29Å; D645-K649 HydrophobicContact CB-CG 4.48Å; D645-K649 WeakPolarHBondContact O-CG 3.44Å; D645-K649 PolarHBondContact O-N 3.04Å; K649-A652 PolarHBondContact O-N 3.26Å; K649-Y653 PolarHBondContact O-N 3.26Å
650L85.9Confident76.4Confident0 Ų079.6 Ų79.60%043%0.428CS..Hα-helixtrans-67.7-38.5177.2-17065.1000111.9F588 I594 M598 L631 L634 L638 A646 Y653 A654F588-L650 HydrophobicContact CE1-CD2 3.95Å; F588-L650 HydrophobicContact CE1-CG 4.31Å; F588-L650 HydrophobicContact CE2-CD2 4.12Å; F588-L650 HydrophobicContact CZ-CD2 3.69Å; F588-L650 HydrophobicContact CZ-CG 4.47Å; I594-L650 HydrophobicContact CG2-CD1 4.09Å; I594-L650 HydrophobicContact CG2-CD2 3.88Å; I594-L650 HydrophobicContact CG2-CG 4.06Å; M598-L650 HydrophobicContact SD-CD2 4.23Å; L631-L650 HydrophobicContact CD1-CD1 3.8Å; L634-L650 HydrophobicContact CB-CD1 3.8Å; L634-L650 HydrophobicContact CD1-CD1 4.38Å; L638-L650 HydrophobicContact CD2-CD2 3.65Å; A646-L650 WeakPolarHBondContact O-CB 3.05Å; A646-L650 PolarHBondContact O-N 3.48Å; L650-Y653 PolarHBondContact O-N 3.5Å; L650-A654 PolarHBondContact O-N 2.97Å; L650-A654 VanDerWaalsContact O-N 3.14Å
651L83.1Confident73.7Confident69 Ų6980.6 Ų80.636%0.36146%0.459SS..Hα-helixtrans-66-40.1173.5-72.8171.2000112.4F588 T647 E648 A654 Q655F588-L651 HydrophobicContact CD1-CD2 4.08Å; F588-L651 HydrophobicContact CE1-CD2 3.82Å; F588-L651 HydrophobicContact CE1-CG 4.08Å; T647-L651 HydrophobicContact CG2-CD1 4.29Å; T647-L651 WeakPolarHBondContact O-CG 3.42Å; T647-L651 PolarHBondContact O-N 3.04Å; T647-L651 VanDerWaalsContact O-N 3.12Å; E648-L651 PolarHBondContact O-N 3.31Å; L651-A654 WeakPolarHBondContact O-CB 3.27Å; L651-A654 PolarHBondContact O-N 3.15Å; L651-Q655 WeakPolarHBondContact O-CG 3.42Å; L651-Q655 PolarHBondContact O-N 3.22Å; L651-Q655 VanDerWaalsContact O-N 3.07Å
652A83.1Confident70.8Confident45 Ų4587.5 Ų87.537%0.37249%0.486SS..Hα-helixtrans-63.6-40.9176.200000111.9E648 K649 A654 Q655 N656E648-A652 WeakPolarHBondContact O-CB 3.47Å; E648-A652 PolarHBondContact O-N 2.62Å; K649-A652 PolarHBondContact O-N 3.26Å; A652-A654 VanDerWaalsContact C-N 3.31Å; A652-A654 PolarHBondContact O-N 3.43Å; A652-Q655 PolarHBondContact O-N 2.72Å; A652-N656 PolarHBondContact O-N 2.8Å; A652-N656 VanDerWaalsContact O-N 3.15Å; A652-N656 PolarHBondContact O-ND2 2.93Å
653Y82.8Confident68Low30 Ų3089.7 Ų89.712%0.11850%0.5CS..Hα-helixtrans-58-44.2172.8-177-86.9000111.3D628 E630 L631 L634 K649 L650 Q655 N656 K657D628-Y653 PolarHBondContact OD1-OH 2.85Å; E630-Y653 HydrophobicContact CB-CE2 4.26Å; E630-Y653 HydrophobicContact CG-CD2 4.3Å; E630-Y653 HydrophobicContact CG-CE2 3.9Å; L631-Y653 HydrophobicContact CB-CE1 4.15Å; L631-Y653 HydrophobicContact CD1-CD1 4.06Å; L631-Y653 HydrophobicContact CD1-CE1 3.89Å; L631-Y653 HydrophobicContact CD2-CE1 4.47Å; L631-Y653 HydrophobicContact CG-CE1 4.39Å; L634-Y653 HydrophobicContact CD1-CD2 3.76Å; L634-Y653 HydrophobicContact CD1-CG 3.82Å; K649-Y653 PolarHBondContact O-N 3.26Å; L650-Y653 PolarHBondContact O-N 3.5Å; Y653-Q655 PolarHBondContact O-N 2.74Å; Y653-N656 PolarHBondContact O-N 3.23Å; Y653-K657 PolarHBondContact O-N 3.1Å
654A71.6Confident65.3Low13 Ų1393.6 Ų93.611%0.10753%0.525CS..Hα-helixtrans-61.8-40.8178.500000113.1M591 I594 L650 L651 A652 G658M591-A654 HydrophobicContact CE-CB 3.45Å; M591-A654 VanDerWaalsContact CE-CB 3.45Å; M591-A654 HydrophobicContact SD-CB 3.59Å; M591-A654 VanDerWaalsContact SD-CB 3.59Å; I594-A654 HydrophobicContact CD1-CB 3.37Å; L650-A654 PolarHBondContact O-N 2.97Å; L650-A654 VanDerWaalsContact O-N 3.14Å; L651-A654 WeakPolarHBondContact O-CB 3.27Å; L651-A654 PolarHBondContact O-N 3.15Å; A652-A654 VanDerWaalsContact C-N 3.31Å; A652-A654 PolarHBondContact O-N 3.43Å; A654-G658 PolarHBondContact O-N 2.89Å; A654-G658 VanDerWaalsContact O-N 3.14Å
655Q71.1Confident62.9Low152 Ų15294.4 Ų94.471%0.7152%0.52SS*.Hα-helixtrans-68.7-35.6179.3-71.3-178.92.400112.6L651 A652 Y653L651-Q655 WeakPolarHBondContact O-CG 3.42Å; L651-Q655 PolarHBondContact O-N 3.22Å; L651-Q655 VanDerWaalsContact O-N 3.07Å; A652-Q655 PolarHBondContact O-N 2.72Å; Y653-Q655 PolarHBondContact O-N 2.74Å
656N65Low60.6Low145 Ų14599.6 Ų99.678%0.77554%0.542SS*.Hα-helixtrans-74.9-28.1-178.2-77.3-26.3000113.8A652 Y653A652-N656 PolarHBondContact O-N 2.8Å; A652-N656 VanDerWaalsContact O-N 3.15Å; A652-N656 PolarHBondContact O-ND2 2.93Å; Y653-N656 PolarHBondContact O-N 3.23Å
657K61.2Low58.4Low144 Ų144103.3 Ų103.363%0.62657%0.565SS**Hα-helixtrans-100.2-4.3176.6-66-129-177.6169.90114.7Y653 K659Y653-K657 PolarHBondContact O-N 3.1Å; K657-K659 PolarHBondContact O-N 2.91Å
658G44.8Very low57Low58 Ų58106.7 Ų106.760%0.59858%0.582SS**  trans-78.30.7-170.700000118.7A654 G660A654-G658 PolarHBondContact O-N 2.89Å; A654-G658 VanDerWaalsContact O-N 3.14Å; G658-G660 PolarHBondContact O-N 3.41Å
659K37.7Very low55.8Low218 Ų218105.9 Ų105.995%0.94858%0.578SS**SBendtrans-93.673.1175-77.6-174.4179.4174.60111.5K657K657-K659 PolarHBondContact O-N 2.91Å
660G38.6Very low55.2Low67 Ų67103.5 Ų103.569%0.69157%0.567SS**  trans-164.114.2-176.600000118.4G658 K662G658-G660 PolarHBondContact O-N 3.41Å; G660-K662 PolarHBondContact O-N 3.3Å; G660-K662 VanDerWaalsContact O-N 3.09Å
661G38.9Very low55.1Low86 Ų86106.5 Ų106.589%0.88758%0.578SS**  trans-82.175.817400000112.4
662K31.8Very low54.9Low197 Ų197111.1 Ų111.186%0.85760%0.595SS**  trans-79.7127.6169.2-112-178.8-178.4177.80109.5G660 V664G660-K662 PolarHBondContact O-N 3.3Å; G660-K662 VanDerWaalsContact O-N 3.09Å; K662-V664 PolarHBondContact O-N 3.25Å
663K32.2Very low54.9Low193 Ų193110.4 Ų110.484%0.83959%0.589SS**  trans-43.3123.1161.3-95177.7170.2177.40109.4V665K663-V665 PolarHBondContact O-N 3.37Å
664V30.9Very low55Low128 Ų128111.5 Ų111.578%0.77660%0.601SS**  trans-67.188166.3-177.40000107.6K662K662-V664 PolarHBondContact O-N 3.25Å
665V32.6Very low55.7Low105 Ų105111 Ų11164%0.63660%0.597SS**  trans-65.7136.7148.2177.80000104.9K663 T667K663-V665 PolarHBondContact O-N 3.37Å; V665-T667 PolarHBondContact O-N 2.91Å
666Q37.5Very low56.4Low191 Ų191105 Ų10589%0.89357%0.568SS**  trans-59.281.4168.4-80.6178.3-10.600108.9
667T40.1Very low57.2Low83 Ų83103.4 Ų103.451%0.50956%0.556SS.*  trans-77.7134.4153.439.40000105.8V665 E669V665-T667 PolarHBondContact O-N 2.91Å; T667-E669 PolarHBondContact O-N 3.27Å
668D55.9Low58.5Low92 Ų9297.4 Ų97.449%0.49253%0.53SS..  trans-60.471170.7-70.8-56.1000110.1W670 R671D668-W670 PolarHBondContact O-N 3.41Å; D668-W670 PolarHBondContact OD1-NE1 3.25Å; D668-R671 HydrophobicContact CB-CB 4.31Å; D668-R671 HydrophobicContact CB-CG 3.74Å; D668-R671 WeakPolarHBondContact O-CB 3.31Å; D668-R671 PolarHBondContact O-N 3.15Å
669E59.6Low60.5Low123 Ų12394.7 Ų94.758%0.57550%0.502SS*.G310 helixtrans-60.2-30.9-176.2-77.3-170.1147.800111.3T667 R671 K672T667-E669 PolarHBondContact O-N 3.27Å; E669-R671 PolarHBondContact O-N 3.27Å; E669-K672 WeakPolarHBondContact O-CB 3.37Å; E669-K672 PolarHBondContact O-N 3.33Å
670W74.8Confident62.6Low34 Ų3487.5 Ų87.513%0.12947%0.471CS..G310 helixtrans-60.1-23.1173.174.2-84.1000113.3D668 K672 A673 R678 Y681 A682 I687 Y690D668-W670 PolarHBondContact O-N 3.41Å; D668-W670 PolarHBondContact OD1-NE1 3.25Å; W670-K672 PolarHBondContact O-N 3.46Å; W670-A673 WeakPolarHBondContact O-CB 3.27Å; W670-A673 PolarHBondContact O-N 3.4Å; W670-R678 HydrophobicContact CE3-CB 4.22Å; W670-R678 HydrophobicContact CE3-CG 3.96Å; W670-R678 HydrophobicContact CZ3-CB 3.99Å; W670-R678 HydrophobicContact CZ3-CG 4.09Å; W670-R678 WeakPolarHBondContact CZ3-O 3.47Å; W670-R678 VanDerWaalsContact O-CG 3.3Å; W670-R678 WeakPolarHBondContact O-CG 3.48Å; W670-Y681 HydrophobicContact CB-CD1 4.05Å; W670-Y681 HydrophobicContact CB-CD2 4.48Å; W670-Y681 HydrophobicContact CB-CE1 4.07Å; W670-Y681 HydrophobicContact CB-CG 4.25Å; W670-Y681 AromaticContact CD1-CE1 3.73Å; W670-Y681 AromaticContact CD2-CD1 3.39Å; W670-Y681 HydrophobicContact CD2-CD1 3.39Å; W670-Y681 AromaticContact CD2-CE1 3.59Å; W670-Y681 HydrophobicContact CD2-CE1 3.59Å; W670-Y681 HydrophobicContact CD2-CG 4.28Å; W670-Y681 AromaticContact CE2-CD1 3.97Å; W670-Y681 AromaticContact CE2-CE1 3.85Å; W670-Y681 AromaticContact CE3-CD1 3.45Å; W670-Y681 HydrophobicContact CE3-CD1 3.45Å; W670-Y681 VanDerWaalsContact CE3-CD1 3.45Å; W670-Y681 HydrophobicContact CE3-CE1 4.14Å; W670-Y681 HydrophobicContact CE3-CG 4.12Å; W670-Y681 AromaticContact CG-CD1 3.67Å; W670-Y681 HydrophobicContact CG-CD1 3.67Å; W670-Y681 AromaticContact CG-CE1 3.53Å; W670-Y681 HydrophobicContact CG-CE1 3.53Å; W670-Y681 HydrophobicContact CG-CG 4.36Å; W670-Y681 HydrophobicContact CZ3-CD1 4.04Å; W670-Y681 AromaticContact NE1-CE1 3.93Å; W670-A682 HydrophobicContact CZ3-CB 4.43Å; W670-I687 HydrophobicContact CZ2-CD1 4.1Å; W670-Y690 AromaticContact CH2-CD2 4Å; W670-Y690 HydrophobicContact CH2-CD2 4Å; W670-Y690 HydrophobicContact CZ2-CD2 4.01Å; W670-Y690 HydrophobicContact CZ2-CE2 4.37Å
671R84.1Confident64.7Low63 Ų6388.6 Ų88.624%0.23846%0.455CS..G310 helixtrans-71.2-14174.7-69.2-63.5-58.9170.9-1.4113.6D668 E669 A673 R678 D694D668-R671 HydrophobicContact CB-CB 4.31Å; D668-R671 HydrophobicContact CB-CG 3.74Å; D668-R671 WeakPolarHBondContact O-CB 3.31Å; D668-R671 PolarHBondContact O-N 3.15Å; E669-R671 PolarHBondContact O-N 3.27Å; R671-A673 VanDerWaalsContact C-N 3.32Å; R671-R678 VanDerWaalsContact NH2-NH1 3.13Å; R671-D694 IonicContact CZ-OD1 2.64Å; R671-D694 VanDerWaalsContact CZ-OD1 3.3Å; R671-D694 IonicContact CZ-OD2 3.9Å; R671-D694 IonicContact NH1-OD1 2.8Å; R671-D694 PolarHBondContact NH1-OD1 2.92Å; R671-D694 IonicContact NH1-OD2 3.33Å; R671-D694 PolarHBondContact NH1-OD2 3.36Å; R671-D694 IonicContact NH2-OD1 3.61Å; R671-D694 PolarHBondContact NH2-OD1 2.9Å
672K79.3Confident66.8Low166 Ų16684.6 Ų84.672%0.72241%0.413SS*.G310 helixtrans-86.1-7.4174.6-58.9176.4-176167.40112.7E669 W670E669-K672 WeakPolarHBondContact O-CB 3.37Å; E669-K672 PolarHBondContact O-N 3.33Å; W670-K672 PolarHBondContact O-N 3.46Å
673A81.3Confident69.2Low30 Ų3075.2 Ų75.225%0.24837%0.373CS..SBendtrans-73.1167.6176.600000111.7W670 R671 E677 R678W670-A673 WeakPolarHBondContact O-CB 3.27Å; W670-A673 PolarHBondContact O-N 3.4Å; R671-A673 VanDerWaalsContact C-N 3.32Å; A673-E677 HydrophobicContact CB-CB 3.82Å; A673-E677 WeakPolarHBondContact CB-OE2 3.18Å; A673-R678 HydrophobicContact CB-CG 4.34Å; A673-R678 PolarHBondContact O-NE 2.92Å
674C85.7Confident71.3Confident54 Ų5467.9 Ų67.937%0.36534%0.342SS..  trans-63.2162.3174.7680000111.2E676 E677 R678C674-E676 WeakPolarHBondContact CB-OE2 3.21Å; C674-E676 PolarHBondContact O-N 3.21Å; C674-E676 PolarHBondContact SG-OE2 2.93Å; C674-E676 VanDerWaalsContact SG-OE2 3.4Å; C674-E677 PolarHBondContact O-N 3.17Å; C674-E677 VanDerWaalsContact SG-CB 3.59Å; C674-E677 WeakPolarHBondContact SG-CG 3.48Å; C674-E677 PolarHBondContact SG-N 2.96Å; C674-E677 VanDerWaalsContact SG-N 3.43Å; C674-R678 WeakPolarHBondContact O-CB 3.28Å; C674-R678 WeakPolarHBondContact O-CG 3.47Å; C674-R678 PolarHBondContact O-N 3.43Å
675V87Confident73.4Confident3 Ų367.8 Ų67.82%0.01833%0.331CS..Hα-helixtrans-61.9-31.2-175.866.90000111.7R678 L679 D694 E697 C698V675-R678 PolarHBondContact O-N 3.45Å; V675-L679 HydrophobicContact CG2-CD1 4.45Å; V675-L679 WeakPolarHBondContact O-CB 3.24Å; V675-L679 WeakPolarHBondContact O-CG 3.46Å; V675-L679 PolarHBondContact O-N 3.1Å; V675-D694 HydrophobicContact CG2-CB 4.11Å; V675-D694 WeakPolarHBondContact CG2-O 3.48Å; V675-E697 HydrophobicContact CB-CG 4.46Å; V675-E697 HydrophobicContact CG2-CB 4.03Å; V675-E697 HydrophobicContact CG2-CG 4.17Å; V675-C698 VanDerWaalsContact CG1-SG 3.53Å; V675-C698 VanDerWaalsContact CG2-SG 3.56Å
676E84.8Confident75.2Confident25 Ų2563.7 Ų63.712%0.11731%0.31CS..Hα-helixtrans-68-50.2176.8-57.191149.500111.8C674 R678 L679 E680 R704 Y705 P715C674-E676 WeakPolarHBondContact CB-OE2 3.21Å; C674-E676 PolarHBondContact O-N 3.21Å; C674-E676 PolarHBondContact SG-OE2 2.93Å; C674-E676 VanDerWaalsContact SG-OE2 3.4Å; E676-R678 VanDerWaalsContact C-N 3.25Å; E676-R678 PolarHBondContact O-N 3.26Å; E676-L679 PolarHBondContact O-N 3.25Å; E676-E680 WeakPolarHBondContact O-CB 3.33Å; E676-E680 PolarHBondContact O-N 3.18Å; E676-R704 IonicContact OE1-CZ 3.29Å; E676-R704 IonicContact OE1-NE 3.51Å; E676-R704 IonicContact OE1-NH1 3.75Å; E676-R704 PolarHBondContact OE1-NH1 3.43Å; E676-R704 IonicContact OE1-NH2 2.78Å; E676-R704 PolarHBondContact OE1-NH2 2.92Å; E676-R704 VanDerWaalsContact OE1-NH2 3.13Å; E676-Y705 WeakPolarHBondContact CG-OH 3.37Å; E676-Y705 PolarHBondContact OE1-OH 3.11Å; E676-Y705 VanDerWaalsContact OE1-OH 3.12Å; E676-P715 HydrophobicContact CB-CB 4.19Å; E676-P715 HydrophobicContact CG-CB 4.25Å
677E82.2Confident77.2Confident111 Ų11156.8 Ų56.852%0.51928%0.279SS..Hα-helixtrans-63.3-32.9175.7-75.1167.3179.900111.5A673 C674 Y681A673-E677 HydrophobicContact CB-CB 3.82Å; A673-E677 WeakPolarHBondContact CB-OE2 3.18Å; C674-E677 PolarHBondContact O-N 3.17Å; C674-E677 VanDerWaalsContact SG-CB 3.59Å; C674-E677 WeakPolarHBondContact SG-CG 3.48Å; C674-E677 PolarHBondContact SG-N 2.96Å; C674-E677 VanDerWaalsContact SG-N 3.43Å; E677-Y681 WeakPolarHBondContact O-CB 3.46Å; E677-Y681 PolarHBondContact O-N 2.91Å
678R89.3Confident79Confident19 Ų1955.6 Ų55.67%0.07227%0.268CS..Hα-helixtrans-66.8-47173.8-78.6-173.7-79.9152.2-10.4112.2W670 R671 A673 C674 V675 E676 Y681 A682 D694 E697W670-R678 HydrophobicContact CE3-CB 4.22Å; W670-R678 HydrophobicContact CE3-CG 3.96Å; W670-R678 HydrophobicContact CZ3-CB 3.99Å; W670-R678 HydrophobicContact CZ3-CG 4.09Å; W670-R678 WeakPolarHBondContact CZ3-O 3.47Å; W670-R678 VanDerWaalsContact O-CG 3.3Å; W670-R678 WeakPolarHBondContact O-CG 3.48Å; R671-R678 VanDerWaalsContact NH2-NH1 3.13Å; A673-R678 HydrophobicContact CB-CG 4.34Å; A673-R678 PolarHBondContact O-NE 2.92Å; C674-R678 WeakPolarHBondContact O-CB 3.28Å; C674-R678 WeakPolarHBondContact O-CG 3.47Å; C674-R678 PolarHBondContact O-N 3.43Å; V675-R678 PolarHBondContact O-N 3.45Å; E676-R678 VanDerWaalsContact C-N 3.25Å; E676-R678 PolarHBondContact O-N 3.26Å; R678-Y681 PolarHBondContact O-N 2.91Å; R678-A682 WeakPolarHBondContact O-CB 3.35Å; R678-A682 PolarHBondContact O-N 3.36Å; R678-D694 IonicContact CZ-OD1 2.62Å; R678-D694 IonicContact NH1-OD1 2.65Å; R678-D694 PolarHBondContact NH1-OD1 3.46Å; R678-E697 IonicContact CZ-OE1 2.85Å; R678-E697 IonicContact CZ-OE2 3.85Å; R678-E697 VanDerWaalsContact CZ-OE2 3.31Å; R678-E697 IonicContact NH1-OE2 3.75Å; R678-E697 PolarHBondContact NH1-OE2 3.22Å; R678-E697 IonicContact NH2-OE1 2.71Å; R678-E697 PolarHBondContact NH2-OE1 3.3Å; R678-E697 IonicContact NH2-OE2 3.68Å; R678-E697 PolarHBondContact NH2-OE2 3.38Å
679L85.5Confident80.1Confident1 Ų158.2 Ų58.21%0.00528%0.275CS..Hα-helixtrans-65-42.4177.6-76.1172.7000111.4V675 E676 A682 L683 V691 D694 V695 C698 P715 L716V675-L679 HydrophobicContact CG2-CD1 4.45Å; V675-L679 WeakPolarHBondContact O-CB 3.24Å; V675-L679 WeakPolarHBondContact O-CG 3.46Å; V675-L679 PolarHBondContact O-N 3.1Å; E676-L679 PolarHBondContact O-N 3.25Å; L679-A682 PolarHBondContact O-N 3.23Å; L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 WeakPolarHBondContact O-CG 3.33Å; L679-L683 PolarHBondContact O-N 3.36Å; L679-V691 HydrophobicContact CD2-CG2 4.19Å; L679-D694 HydrophobicContact CD2-CB 3.51Å; L679-D694 HydrophobicContact CG-CB 3.84Å; L679-V695 HydrophobicContact CD2-CG2 3.95Å; L679-C698 VanDerWaalsContact CD1-SG 3.54Å; L679-P715 HydrophobicContact CB-CB 4.37Å; L679-P715 HydrophobicContact CD1-CB 4.14Å; L679-P715 HydrophobicContact CD1-CG 4.1Å; L679-L716 HydrophobicContact CD2-CD2 4.24Å
680E83.2Confident81.2Confident67 Ų6754.6 Ų54.631%0.31326%0.256SS..Hα-helixtrans-60.5-49.7175-169.6-177.1154.400111.1E676 A682 L683 I684E676-E680 WeakPolarHBondContact O-CB 3.33Å; E676-E680 PolarHBondContact O-N 3.18Å; E680-A682 PolarHBondContact O-N 2.7Å; E680-L683 PolarHBondContact O-N 3.36Å; E680-I684 HydrophobicContact CG-CD1 3.93Å; E680-I684 VanDerWaalsContact O-CG1 3.3Å; E680-I684 WeakPolarHBondContact O-CG1 3.35Å; E680-I684 PolarHBondContact O-N 3.46Å
681Y81.6Confident81.7Confident90 Ų9053 Ų5335%0.35325%0.25SS..Hα-helixtrans-62-41.8176.8-176.2-91000112.3W670 E677 R678 L683 I684 K685 I687W670-Y681 HydrophobicContact CB-CD1 4.05Å; W670-Y681 HydrophobicContact CB-CD2 4.48Å; W670-Y681 HydrophobicContact CB-CE1 4.07Å; W670-Y681 HydrophobicContact CB-CG 4.25Å; W670-Y681 AromaticContact CD1-CE1 3.73Å; W670-Y681 AromaticContact CD2-CD1 3.39Å; W670-Y681 HydrophobicContact CD2-CD1 3.39Å; W670-Y681 AromaticContact CD2-CE1 3.59Å; W670-Y681 HydrophobicContact CD2-CE1 3.59Å; W670-Y681 HydrophobicContact CD2-CG 4.28Å; W670-Y681 AromaticContact CE2-CD1 3.97Å; W670-Y681 AromaticContact CE2-CE1 3.85Å; W670-Y681 AromaticContact CE3-CD1 3.45Å; W670-Y681 HydrophobicContact CE3-CD1 3.45Å; W670-Y681 VanDerWaalsContact CE3-CD1 3.45Å; W670-Y681 HydrophobicContact CE3-CE1 4.14Å; W670-Y681 HydrophobicContact CE3-CG 4.12Å; W670-Y681 AromaticContact CG-CD1 3.67Å; W670-Y681 HydrophobicContact CG-CD1 3.67Å; W670-Y681 AromaticContact CG-CE1 3.53Å; W670-Y681 HydrophobicContact CG-CE1 3.53Å; W670-Y681 HydrophobicContact CG-CG 4.36Å; W670-Y681 HydrophobicContact CZ3-CD1 4.04Å; W670-Y681 AromaticContact NE1-CE1 3.93Å; E677-Y681 WeakPolarHBondContact O-CB 3.46Å; E677-Y681 PolarHBondContact O-N 2.91Å; R678-Y681 PolarHBondContact O-N 2.91Å; Y681-L683 VanDerWaalsContact C-N 3.33Å; Y681-L683 PolarHBondContact O-N 3.45Å; Y681-I684 PolarHBondContact O-N 2.91Å; Y681-K685 HydrophobicContact CD1-CG 4.19Å; Y681-K685 HydrophobicContact CD2-CG 4.33Å; Y681-K685 HydrophobicContact CE1-CB 4.44Å; Y681-K685 HydrophobicContact CE1-CG 3.83Å; Y681-K685 HydrophobicContact CE2-CG 3.98Å; Y681-K685 HydrophobicContact CG-CG 4.44Å; Y681-K685 WeakPolarHBondContact O-CB 3.48Å; Y681-K685 WeakPolarHBondContact O-CG 3.37Å; Y681-K685 PolarHBondContact O-N 2.9Å; Y681-I687 HydrophobicContact CD1-CD1 4.22Å; Y681-I687 HydrophobicContact CE1-CD1 3.85Å
682A84.4Confident81.8Confident1 Ų152.3 Ų52.31%0.00825%0.253CS..Hα-helixtrans-63.9-37.9177.700000112W670 R678 L679 E680 G686 I687W670-A682 HydrophobicContact CZ3-CB 4.43Å; R678-A682 WeakPolarHBondContact O-CB 3.35Å; R678-A682 PolarHBondContact O-N 3.36Å; L679-A682 PolarHBondContact O-N 3.23Å; E680-A682 PolarHBondContact O-N 2.7Å; A682-G686 CarbonylContact O-C 3.54Å; A682-G686 WeakPolarHBondContact O-CA 3.48Å; A682-G686 PolarHBondContact O-N 2.81Å; A682-I687 HydrophobicContact CB-CB 4.39Å; A682-I687 PolarHBondContact O-N 3.26Å
683L81.3Confident82.2Confident1 Ų149.7 Ų49.71%0.00524%0.243CC..Hα-helixtrans-68.2-48.6174.2-78.3164.5000111.8L679 E680 Y681 K685 G686 L716 M720 S740 V743 M744L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 WeakPolarHBondContact O-CG 3.33Å; L679-L683 PolarHBondContact O-N 3.36Å; E680-L683 PolarHBondContact O-N 3.36Å; Y681-L683 VanDerWaalsContact C-N 3.33Å; Y681-L683 PolarHBondContact O-N 3.45Å; L683-K685 VanDerWaalsContact C-N 3.31Å; L683-K685 PolarHBondContact O-N 2.78Å; L683-G686 PolarHBondContact O-N 2.86Å; L683-L716 HydrophobicContact CD1-CB 4.25Å; L683-L716 HydrophobicContact CD1-CD2 3.72Å; L683-L716 VanDerWaalsContact CD1-O 3.31Å; L683-L716 WeakPolarHBondContact CD1-O 3.12Å; L683-L716 HydrophobicContact CG-CD2 4.47Å; L683-M720 HydrophobicContact CD2-CG 4.47Å; L683-M720 HydrophobicContact CD2-SD 3.85Å; L683-S740 WeakPolarHBondContact O-CB 3.37Å; L683-S740 PolarHBondContact O-OG 3.38Å; L683-V743 HydrophobicContact CD2-CB 4Å; L683-V743 HydrophobicContact CD2-CG1 3.81Å; L683-V743 HydrophobicContact CG-CG1 4.15Å; L683-M744 HydrophobicContact CD2-CB 3.94Å; L683-M744 HydrophobicContact CD2-SD 4.5Å
684I76.9Confident82.6Confident38 Ų3848.3 Ų48.320%0.19523%0.232CC..Hα-helixtrans-62-38.4179.5-66165.3000111.5E680 Y681 V722 V723 L726 M732E680-I684 HydrophobicContact CG-CD1 3.93Å; E680-I684 VanDerWaalsContact O-CG1 3.3Å; E680-I684 WeakPolarHBondContact O-CG1 3.35Å; E680-I684 PolarHBondContact O-N 3.46Å; Y681-I684 PolarHBondContact O-N 2.91Å; I684-V722 HydrophobicContact CD1-CB 4.12Å; I684-V722 HydrophobicContact CD1-CG1 3.61Å; I684-V722 HydrophobicContact CG1-CB 4.36Å; I684-V722 HydrophobicContact CG1-CG1 4.04Å; I684-V723 HydrophobicContact CG1-CG2 4.29Å; I684-L726 HydrophobicContact CG2-CD1 4.25Å; I684-M732 VanDerWaalsContact O-CE 3.25Å; I684-M732 WeakPolarHBondContact O-CE 3.24Å
685K74.3Confident82.6Confident126 Ų12645.7 Ų45.755%0.54821%0.214SC..Hα-helixtrans-91-8.3-179-62.1-58.1-175.9-172.70114.3Y681 L683 I687Y681-K685 HydrophobicContact CD1-CG 4.19Å; Y681-K685 HydrophobicContact CD2-CG 4.33Å; Y681-K685 HydrophobicContact CE1-CB 4.44Å; Y681-K685 HydrophobicContact CE1-CG 3.83Å; Y681-K685 HydrophobicContact CE2-CG 3.98Å; Y681-K685 HydrophobicContact CG-CG 4.44Å; Y681-K685 WeakPolarHBondContact O-CB 3.48Å; Y681-K685 WeakPolarHBondContact O-CG 3.37Å; Y681-K685 PolarHBondContact O-N 2.9Å; L683-K685 VanDerWaalsContact C-N 3.31Å; L683-K685 PolarHBondContact O-N 2.78Å; K685-I687 HydrophobicContact CB-CD1 3.79Å; K685-I687 HydrophobicContact CB-CG1 3.83Å
686G71.2Confident82.6Confident19 Ų1950.2 Ų50.220%0.19624%0.235CC..THydrogen-bonded Turntrans67.242.7-178.600000113.7A682 L683A682-G686 CarbonylContact O-C 3.54Å; A682-G686 WeakPolarHBondContact O-CA 3.48Å; A682-G686 PolarHBondContact O-N 2.81Å; L683-G686 PolarHBondContact O-N 2.86Å
687I78.9Confident82.7Confident46 Ų4652.7 Ų52.724%0.23625%0.246CC..  trans-97.2105.4-176.8-56172.4000110.6W670 Y681 A682 K685 K689 Y690W670-I687 HydrophobicContact CZ2-CD1 4.1Å; Y681-I687 HydrophobicContact CD1-CD1 4.22Å; Y681-I687 HydrophobicContact CE1-CD1 3.85Å; A682-I687 HydrophobicContact CB-CB 4.39Å; A682-I687 PolarHBondContact O-N 3.26Å; K685-I687 HydrophobicContact CB-CD1 3.79Å; K685-I687 HydrophobicContact CB-CG1 3.83Å; I687-K689 HydrophobicContact CG2-CB 4.33Å; I687-Y690 HydrophobicContact CG2-CD2 4.45Å
688E77.5Confident82.8Confident58 Ų5847.4 Ų47.427%0.27122%0.222SC..  trans-81.6-12.6-178.4-66.6-179.3-173.500115.5Y690 R742 V743 K746E688-Y690 PolarHBondContact O-N 2.69Å; E688-R742 WeakPolarHBondContact OE1-CB 3.46Å; E688-R742 IonicContact OE1-CZ 3.27Å; E688-R742 IonicContact OE1-NE 2.78Å; E688-R742 PolarHBondContact OE1-NE 3.37Å; E688-R742 IonicContact OE1-NH2 2.85Å; E688-R742 PolarHBondContact OE1-NH2 3.09Å; E688-R742 IonicContact OE2-NH2 2.91Å; E688-R742 PolarHBondContact OE2-NH2 3.03Å; E688-V743 HydrophobicContact CG-CG2 3.9Å; E688-K746 HydrophobicContact CB-CD 4.41Å; E688-K746 PolarHBondContact O-NZ 3.36Å
689K78.4Confident82.4Confident148 Ų14849.5 Ų49.564%0.64323%0.232SC*.SBendtrans-67.5-38.5-163.2-172.5178.2174.9-164.30113I687I687-K689 HydrophobicContact CG2-CB 4.33Å
690Y83.6Confident82.1Confident47 Ų4752.9 Ų52.918%0.18426%0.261CS..SBendtrans-111.6-2.1-172.3-56.9-71.5000113.8W670 I687 E688 V692 E693 D694W670-Y690 AromaticContact CH2-CD2 4Å; W670-Y690 HydrophobicContact CH2-CD2 4Å; W670-Y690 HydrophobicContact CZ2-CD2 4.01Å; W670-Y690 HydrophobicContact CZ2-CE2 4.37Å; I687-Y690 HydrophobicContact CG2-CD2 4.45Å; E688-Y690 PolarHBondContact O-N 2.69Å; Y690-V692 VanDerWaalsContact C-N 3.31Å; Y690-V692 PolarHBondContact O-N 2.8Å; Y690-E693 PolarHBondContact O-N 3.49Å; Y690-E693 VanDerWaalsContact O-N 3.17Å; Y690-D694 PolarHBondContact O-N 2.8Å
691V85.6Confident82.1Confident0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-60.6-35.8-170.1720000113.6L679 V695 V743 K746 A747L679-V691 HydrophobicContact CD2-CG2 4.19Å; V691-V695 HydrophobicContact CG2-CG2 4.4Å; V691-V695 WeakPolarHBondContact O-CB 3.44Å; V691-V695 WeakPolarHBondContact O-CG2 3.47Å; V691-V695 PolarHBondContact O-N 3.36Å; V691-V743 HydrophobicContact CB-CG1 4.03Å; V691-V743 HydrophobicContact CG2-CG1 3.6Å; V691-K746 HydrophobicContact CG1-CB 4.28Å; V691-K746 HydrophobicContact CG1-CD 3.79Å; V691-K746 HydrophobicContact CG1-CG 4Å; V691-A747 HydrophobicContact CG2-CB 3.82Å
692V86.8Confident81.6Confident48 Ų4853 Ų5329%0.29127%0.271SS..Hα-helixtrans-70.6-43.3179.4179.10000110.8Y690 D694 V695 E696 K746 Y750Y690-V692 VanDerWaalsContact C-N 3.31Å; Y690-V692 PolarHBondContact O-N 2.8Å; V692-D694 VanDerWaalsContact C-N 3.33Å; V692-D694 PolarHBondContact O-N 3Å; V692-V695 PolarHBondContact O-N 2.94Å; V692-E696 WeakPolarHBondContact O-CB 3.19Å; V692-E696 PolarHBondContact O-N 3.1Å; V692-K746 HydrophobicContact CG2-CG 4.35Å; V692-Y750 HydrophobicContact CG1-CD1 4.4Å; V692-Y750 HydrophobicContact CG1-CD2 3.81Å; V692-Y750 HydrophobicContact CG1-CE1 4.42Å; V692-Y750 HydrophobicContact CG1-CE2 3.85Å; V692-Y750 HydrophobicContact CG1-CG 4.1Å
693E86.4Confident80.9Confident111 Ų11162 Ų6252%0.51931%0.313SS..Hα-helixtrans-62.5-41.9177.6-62.4170.9-16300111Y690 E696 E697Y690-E693 PolarHBondContact O-N 3.49Å; Y690-E693 VanDerWaalsContact O-N 3.17Å; E693-E696 PolarHBondContact O-N 3.38Å; E693-E697 PolarHBondContact O-N 2.8Å
694D89.2Confident80.5Confident1 Ų169.6 Ų69.61%0.00534%0.342CS..Hα-helixtrans-71.4-37179.8-64.4-28.4000111.9R671 V675 R678 L679 Y690 V692 E697 C698R671-D694 IonicContact CZ-OD1 2.64Å; R671-D694 VanDerWaalsContact CZ-OD1 3.3Å; R671-D694 IonicContact CZ-OD2 3.9Å; R671-D694 IonicContact NH1-OD1 2.8Å; R671-D694 PolarHBondContact NH1-OD1 2.92Å; R671-D694 IonicContact NH1-OD2 3.33Å; R671-D694 PolarHBondContact NH1-OD2 3.36Å; R671-D694 IonicContact NH2-OD1 3.61Å; R671-D694 PolarHBondContact NH2-OD1 2.9Å; V675-D694 HydrophobicContact CG2-CB 4.11Å; V675-D694 WeakPolarHBondContact CG2-O 3.48Å; R678-D694 IonicContact CZ-OD1 2.62Å; R678-D694 IonicContact NH1-OD1 2.65Å; R678-D694 PolarHBondContact NH1-OD1 3.46Å; L679-D694 HydrophobicContact CD2-CB 3.51Å; L679-D694 HydrophobicContact CG-CB 3.84Å; Y690-D694 PolarHBondContact O-N 2.8Å; V692-D694 VanDerWaalsContact C-N 3.33Å; V692-D694 PolarHBondContact O-N 3Å; D694-E697 PolarHBondContact O-N 2.89Å; D694-C698 PolarHBondContact O-N 3.25Å; D694-C698 VanDerWaalsContact O-N 3.07Å
695V87.5Confident80.5Confident0 Ų069 Ų690%034%0.337CS..Hα-helixtrans-67.9-37.8173.7170.60000111.6L679 V691 V692 C698 Q699 A747 Y750 L751L679-V695 HydrophobicContact CD2-CG2 3.95Å; V691-V695 HydrophobicContact CG2-CG2 4.4Å; V691-V695 WeakPolarHBondContact O-CB 3.44Å; V691-V695 WeakPolarHBondContact O-CG2 3.47Å; V691-V695 PolarHBondContact O-N 3.36Å; V692-V695 PolarHBondContact O-N 2.94Å; V695-C698 PolarHBondContact O-N 2.9Å; V695-Q699 WeakPolarHBondContact O-CB 3.23Å; V695-Q699 PolarHBondContact O-N 2.8Å; V695-A747 HydrophobicContact CG2-CB 3.81Å; V695-Y750 HydrophobicContact CG1-CD1 3.9Å; V695-L751 HydrophobicContact CG1-CD1 3.99Å; V695-L751 HydrophobicContact CG1-CD2 3.57Å; V695-L751 HydrophobicContact CG1-CG 3.72Å
696E86.3Confident80.3Confident98 Ų9872.7 Ų72.746%0.45835%0.347SS..Hα-helixtrans-64.7-39.5174.6-171.7175.2-166.100111.6V692 E693 Q699 A700 Y750V692-E696 WeakPolarHBondContact O-CB 3.19Å; V692-E696 PolarHBondContact O-N 3.1Å; E693-E696 PolarHBondContact O-N 3.38Å; E696-Q699 PolarHBondContact O-N 3.18Å; E696-A700 PolarHBondContact O-N 3.16Å; E696-Y750 HydrophobicContact CB-CE1 4.27Å
697E86.3Confident80.5Confident76 Ų7675.5 Ų75.536%0.35535%0.352SS..Hα-helixtrans-63.6-40.7173.6-173.3-176.7154.900112.2V675 R678 E693 D694 Q699 A700 Q701V675-E697 HydrophobicContact CB-CG 4.46Å; V675-E697 HydrophobicContact CG2-CB 4.03Å; V675-E697 HydrophobicContact CG2-CG 4.17Å; R678-E697 IonicContact CZ-OE1 2.85Å; R678-E697 IonicContact CZ-OE2 3.85Å; R678-E697 VanDerWaalsContact CZ-OE2 3.31Å; R678-E697 IonicContact NH1-OE2 3.75Å; R678-E697 PolarHBondContact NH1-OE2 3.22Å; R678-E697 IonicContact NH2-OE1 2.71Å; R678-E697 PolarHBondContact NH2-OE1 3.3Å; R678-E697 IonicContact NH2-OE2 3.68Å; R678-E697 PolarHBondContact NH2-OE2 3.38Å; E693-E697 PolarHBondContact O-N 2.8Å; D694-E697 PolarHBondContact O-N 2.89Å; E697-Q699 VanDerWaalsContact C-N 3.33Å; E697-A700 PolarHBondContact O-N 2.95Å; E697-Q701 PolarHBondContact O-N 3.27Å
698C85.1Confident80.3Confident0 Ų074.2 Ų74.20%035%0.347CS..Hα-helixtrans-61.7-40.6170.8-76.50000112.1V675 L679 D694 V695 A700 Q701 Y705 I711V675-C698 VanDerWaalsContact CG1-SG 3.53Å; V675-C698 VanDerWaalsContact CG2-SG 3.56Å; L679-C698 VanDerWaalsContact CD1-SG 3.54Å; D694-C698 PolarHBondContact O-N 3.25Å; D694-C698 VanDerWaalsContact O-N 3.07Å; V695-C698 PolarHBondContact O-N 2.9Å; C698-A700 VanDerWaalsContact C-N 3.31Å; C698-A700 PolarHBondContact O-N 3.1Å; C698-Q701 PolarHBondContact O-N 3.01Å; C698-Q701 VanDerWaalsContact O-N 3.11Å; C698-Y705 HydrophobicContact CB-CD2 4.18Å; C698-Y705 HydrophobicContact CB-CE2 4.19Å; C698-Y705 VanDerWaalsContact O-CD2 3.29Å; C698-Y705 WeakPolarHBondContact O-CD2 3.36Å; C698-I711 HydrophobicContact CB-CD1 3.85Å; C698-I711 HydrophobicContact CB-CG1 4.06Å; C698-I711 HydrophobicContact CB-CG2 3.9Å
699Q80Confident80.1Confident63 Ų6371.9 Ų71.929%0.29434%0.336SS..Hα-helixtrans-67.1-32.3180-166.8-111.634.800112.6V695 E696 E697 Q701 I711 F754V695-Q699 WeakPolarHBondContact O-CB 3.23Å; V695-Q699 PolarHBondContact O-N 2.8Å; E696-Q699 PolarHBondContact O-N 3.18Å; E697-Q699 VanDerWaalsContact C-N 3.33Å; Q699-Q701 PolarHBondContact O-N 2.92Å; Q699-I711 HydrophobicContact CB-CD1 3.95Å; Q699-F754 VanDerWaalsContact NE2-CD1 3.32Å; Q699-F754 VanDerWaalsContact NE2-CE1 3.3Å
700A80.1Confident80.1Confident73 Ų7367.8 Ų67.860%0.60332%0.319SS*.Hα-helixtrans-69-18.3173.200000113.6E696 E697 C698 V702E696-A700 PolarHBondContact O-N 3.16Å; E697-A700 PolarHBondContact O-N 2.95Å; C698-A700 VanDerWaalsContact C-N 3.31Å; C698-A700 PolarHBondContact O-N 3.1Å; A700-V702 VanDerWaalsContact C-N 3.28Å; A700-V702 PolarHBondContact O-N 2.99Å; A700-V702 VanDerWaalsContact O-N 3.11Å
701Q83.8Confident80.1Confident61 Ų6165.6 Ų65.629%0.28531%0.311SS..  trans-87.160.7177.6-65.4-178.926.200112E697 C698 Q699 E703 R704 Y705E697-Q701 PolarHBondContact O-N 3.27Å; C698-Q701 PolarHBondContact O-N 3.01Å; C698-Q701 VanDerWaalsContact O-N 3.11Å; Q699-Q701 PolarHBondContact O-N 2.92Å; Q701-E703 PolarHBondContact O-N 3.24Å; Q701-E703 VanDerWaalsContact O-N 3.09Å; Q701-R704 HydrophobicContact CB-CB 4.42Å; Q701-R704 PolarHBondContact O-N 3.27Å; Q701-Y705 HydrophobicContact CB-CD2 4.11Å; Q701-Y705 PolarHBondContact O-N 3.13Å
702V71.1Confident79.6Confident98 Ų9865.8 Ų65.859%0.59431%0.312SS*.THydrogen-bonded Turntrans-57.8-27.4-173.8-171.70000113.5A700 R704A700-V702 VanDerWaalsContact C-N 3.28Å; A700-V702 PolarHBondContact O-N 2.99Å; A700-V702 VanDerWaalsContact O-N 3.11Å; V702-R704 VanDerWaalsContact C-N 3.32Å; V702-R704 PolarHBondContact O-N 3.11Å
703E69.7Low78.8Confident191 Ų19168.5 Ų68.589%0.89332%0.321SS*.THydrogen-bonded Turntrans-67.5-31.6175.1-67.8-167.2165.100113.1Q701Q701-E703 PolarHBondContact O-N 3.24Å; Q701-E703 VanDerWaalsContact O-N 3.09Å
704R71Confident78.4Confident160 Ų16064.2 Ų64.260%0.60431%0.307SS*.THydrogen-bonded Turntrans-99.7-38.5-174.1-157.9169.8-176-169.2-9.6112.1E676 Q701 V702E676-R704 IonicContact OE1-CZ 3.29Å; E676-R704 IonicContact OE1-NE 3.51Å; E676-R704 IonicContact OE1-NH1 3.75Å; E676-R704 PolarHBondContact OE1-NH1 3.43Å; E676-R704 IonicContact OE1-NH2 2.78Å; E676-R704 PolarHBondContact OE1-NH2 2.92Å; E676-R704 VanDerWaalsContact OE1-NH2 3.13Å; Q701-R704 HydrophobicContact CB-CB 4.42Å; Q701-R704 PolarHBondContact O-N 3.27Å; V702-R704 VanDerWaalsContact C-N 3.32Å; V702-R704 PolarHBondContact O-N 3.11Å
705Y78.5Confident78.1Confident25 Ų2564.4 Ų64.410%0.09831%0.308CS..  trans-116.677.2177-54.4-74.9000109.9E676 C698 Q701 R707 H710 I711 P715E676-Y705 WeakPolarHBondContact CG-OH 3.37Å; E676-Y705 PolarHBondContact OE1-OH 3.11Å; E676-Y705 VanDerWaalsContact OE1-OH 3.12Å; C698-Y705 HydrophobicContact CB-CD2 4.18Å; C698-Y705 HydrophobicContact CB-CE2 4.19Å; C698-Y705 VanDerWaalsContact O-CD2 3.29Å; C698-Y705 WeakPolarHBondContact O-CD2 3.36Å; Q701-Y705 HydrophobicContact CB-CD2 4.11Å; Q701-Y705 PolarHBondContact O-N 3.13Å; Y705-R707 PolarHBondContact O-N 2.99Å; Y705-H710 HydrophobicContact CD1-CB 4.16Å; Y705-I711 HydrophobicContact CD1-CG1 4.04Å; Y705-I711 HydrophobicContact CG-CG1 3.86Å; Y705-P715 HydrophobicContact CE1-CG 4.34Å
706R70.1Confident77.8Confident203 Ų20364.4 Ų64.477%0.76631%0.308SS*.SBendtrans-58.9-27.9-177.6-69.8-172.6179.4-176.50.1114
707R73.8Confident77.1Confident78 Ų7861.1 Ų61.129%0.29429%0.293SS..SBendtrans-125.8139.3178.4-56.3-178.866.2-164.2-1.9108.6Y705 L709 H710 E758Y705-R707 PolarHBondContact O-N 2.99Å; R707-L709 HydrophobicContact CB-CB 4.43Å; R707-L709 PolarHBondContact O-N 2.83Å; R707-L709 VanDerWaalsContact O-N 3.1Å; R707-H710 WeakPolarHBondContact O-CB 3.28Å; R707-H710 PolarHBondContact O-N 2.96Å; R707-E758 VanDerWaalsContact CG-OE1 3.27Å; R707-E758 WeakPolarHBondContact CG-OE1 3.29Å; R707-E758 IonicContact CZ-OE1 3.98Å; R707-E758 IonicContact NE-OE1 3Å; R707-E758 PolarHBondContact NE-OE1 2.96Å
708P74.7Confident76.6Confident20 Ų2061.8 Ų61.813%0.1330%0.299CS..THydrogen-bonded Turntrans-46.8-35.1168-3034.1000113.5H710 I711 L751 F754 M755 E758P708-H710 VanDerWaalsContact C-N 3.28Å; P708-H710 PolarHBondContact O-N 3.02Å; P708-I711 WeakPolarHBondContact O-CB 3.35Å; P708-I711 PolarHBondContact O-N 2.98Å; P708-I711 VanDerWaalsContact O-N 3.15Å; P708-L751 HydrophobicContact CB-CD2 4.4Å; P708-F754 HydrophobicContact CB-CB 4.45Å; P708-F754 HydrophobicContact CG-CB 4.06Å; P708-M755 HydrophobicContact CB-CG 3.78Å; P708-E758 VanDerWaalsContact CD-OE2 3.31Å; P708-E758 WeakPolarHBondContact CD-OE2 3.4Å
709L75Confident76.3Confident8 Ų861.8 Ų61.84%0.04230%0.299CS..Hα-helixtrans-58.7-35175.6-173.664000113.2R707 I711 I712 E713 M755 P774R707-L709 HydrophobicContact CB-CB 4.43Å; R707-L709 PolarHBondContact O-N 2.83Å; R707-L709 VanDerWaalsContact O-N 3.1Å; L709-I711 PolarHBondContact O-N 3.05Å; L709-I712 HydrophobicContact CD1-CD1 4.49Å; L709-I712 WeakPolarHBondContact O-CA 3.44Å; L709-I712 WeakPolarHBondContact O-CB 3.17Å; L709-I712 PolarHBondContact O-N 3Å; L709-E713 HydrophobicContact CD1-CG 4.49Å; L709-E713 HydrophobicContact CG-CG 4.22Å; L709-E713 PolarHBondContact O-N 2.83Å; L709-M755 HydrophobicContact CD1-CE 3.92Å; L709-P774 HydrophobicContact CD1-CB 3.74Å
710H77.8Confident76Confident63 Ų6358.9 Ų58.929%0.29229%0.286SS..Hα-helixtrans-67.3-19.5179.9-62.8176000113.1Y705 R707 P708 E713 G714Y705-H710 HydrophobicContact CD1-CB 4.16Å; R707-H710 WeakPolarHBondContact O-CB 3.28Å; R707-H710 PolarHBondContact O-N 2.96Å; P708-H710 VanDerWaalsContact C-N 3.28Å; P708-H710 PolarHBondContact O-N 3.02Å; H710-E713 IonicContact CD2-OE2 3.7Å; H710-G714 WeakPolarHBondContact O-CA 3.42Å; H710-G714 PolarHBondContact O-N 2.95Å
711I82.6Confident75.5Confident1 Ų162 Ų621%0.00529%0.286CS..Hα-helixtrans-74.2-34.6173.8-55.1173.1000109.7C698 Q699 Y705 P708 L709 P715 L716 L751C698-I711 HydrophobicContact CB-CD1 3.85Å; C698-I711 HydrophobicContact CB-CG1 4.06Å; C698-I711 HydrophobicContact CB-CG2 3.9Å; Q699-I711 HydrophobicContact CB-CD1 3.95Å; Y705-I711 HydrophobicContact CD1-CG1 4.04Å; Y705-I711 HydrophobicContact CG-CG1 3.86Å; P708-I711 WeakPolarHBondContact O-CB 3.35Å; P708-I711 PolarHBondContact O-N 2.98Å; P708-I711 VanDerWaalsContact O-N 3.15Å; L709-I711 PolarHBondContact O-N 3.05Å; I711-P715 HydrophobicContact CG2-CG 4.24Å; I711-P715 VanDerWaalsContact O-CD 3.28Å; I711-P715 WeakPolarHBondContact O-CD 3.36Å; I711-P715 WeakPolarHBondContact O-CG 3.46Å; I711-L716 HydrophobicContact CG2-CD1 4.36Å; I711-L716 WeakPolarHBondContact O-CG 3.41Å; I711-L716 PolarHBondContact O-N 3.11Å; I711-L751 HydrophobicContact CB-CD1 4.2Å; I711-L751 HydrophobicContact CD1-CD2 4.18Å; I711-L751 HydrophobicContact CG2-CD1 4.24Å
712I75.8Confident74.9Confident3 Ų361.2 Ų61.22%0.01529%0.285CS..Iπ-helixtrans-69-58.4173.1-55.9178.5000108.9L709 G714 L716 M717 M744 V748 L751 M755L709-I712 HydrophobicContact CD1-CD1 4.49Å; L709-I712 WeakPolarHBondContact O-CA 3.44Å; L709-I712 WeakPolarHBondContact O-CB 3.17Å; L709-I712 PolarHBondContact O-N 3Å; I712-G714 PolarHBondContact O-N 3.12Å; I712-L716 HydrophobicContact CG1-CD1 4.4Å; I712-M717 WeakPolarHBondContact O-CB 3.28Å; I712-M717 WeakPolarHBondContact O-CG 3.3Å; I712-M717 PolarHBondContact O-N 2.86Å; I712-M744 HydrophobicContact CG2-CE 4.06Å; I712-V748 HydrophobicContact CD1-CG1 4.22Å; I712-V748 HydrophobicContact CD1-CG2 4.16Å; I712-V748 HydrophobicContact CG1-CG2 4.33Å; I712-L751 HydrophobicContact CD1-CD1 4.15Å; I712-L751 HydrophobicContact CG1-CD1 3.65Å; I712-M755 HydrophobicContact CD1-CE 4.39Å; I712-M755 HydrophobicContact CD1-SD 3.74Å
713E70.6Confident74.8Confident105 Ų10556.6 Ų56.649%0.49126%0.257SS..Iπ-helixtrans-64.8-21.8-177-66.1173.2161.600114.2L709 H710L709-E713 HydrophobicContact CD1-CG 4.49Å; L709-E713 HydrophobicContact CG-CG 4.22Å; L709-E713 PolarHBondContact O-N 2.83Å; H710-E713 IonicContact CD2-OE2 3.7Å
714G77.9Confident74.4Confident21 Ų2148.7 Ų48.722%0.21623%0.227CC..Iπ-helixtrans-94.8-104.8179.100000113.4H710 I712 L716 M717 N718H710-G714 WeakPolarHBondContact O-CA 3.42Å; H710-G714 PolarHBondContact O-N 2.95Å; I712-G714 PolarHBondContact O-N 3.12Å; G714-L716 VanDerWaalsContact C-N 3.33Å; G714-L716 PolarHBondContact O-N 3.09Å; G714-M717 PolarHBondContact O-N 3.11Å; G714-N718 WeakPolarHBondContact O-CB 3.24Å; G714-N718 PolarHBondContact O-N 2.89Å; G714-N718 PolarHBondContact O-ND2 2.9Å
715P81.8Confident74Confident6 Ų645.8 Ų45.84%0.03922%0.223CC..Iπ-helixtrans-61.7-35.7-169.823.6-33.6000113.7E676 L679 Y705 I711 G719E676-P715 HydrophobicContact CB-CB 4.19Å; E676-P715 HydrophobicContact CG-CB 4.25Å; L679-P715 HydrophobicContact CB-CB 4.37Å; L679-P715 HydrophobicContact CD1-CB 4.14Å; L679-P715 HydrophobicContact CD1-CG 4.1Å; Y705-P715 HydrophobicContact CE1-CG 4.34Å; I711-P715 HydrophobicContact CG2-CG 4.24Å; I711-P715 VanDerWaalsContact O-CD 3.28Å; I711-P715 WeakPolarHBondContact O-CD 3.36Å; I711-P715 WeakPolarHBondContact O-CG 3.46Å; P715-G719 PolarHBondContact O-N 3.5Å
716L81.3Confident73.4Confident0 Ų046.9 Ų46.90%023%0.23CC..Iπ-helixtrans-72.1-45.7-179.3-65.4174.8000112.1L679 L683 I711 I712 G714 G719 M720 M744 A747 L751L679-L716 HydrophobicContact CD2-CD2 4.24Å; L683-L716 HydrophobicContact CD1-CB 4.25Å; L683-L716 HydrophobicContact CD1-CD2 3.72Å; L683-L716 VanDerWaalsContact CD1-O 3.31Å; L683-L716 WeakPolarHBondContact CD1-O 3.12Å; L683-L716 HydrophobicContact CG-CD2 4.47Å; I711-L716 HydrophobicContact CG2-CD1 4.36Å; I711-L716 WeakPolarHBondContact O-CG 3.41Å; I711-L716 PolarHBondContact O-N 3.11Å; I712-L716 HydrophobicContact CG1-CD1 4.4Å; G714-L716 VanDerWaalsContact C-N 3.33Å; G714-L716 PolarHBondContact O-N 3.09Å; L716-G719 PolarHBondContact O-N 3.18Å; L716-M720 PolarHBondContact O-N 3.25Å; L716-M744 HydrophobicContact CB-CE 4.17Å; L716-M744 HydrophobicContact CB-SD 3.81Å; L716-M744 HydrophobicContact CD1-SD 4.4Å; L716-M744 HydrophobicContact CG-SD 4.48Å; L716-A747 HydrophobicContact CD1-CB 3.79Å; L716-A747 HydrophobicContact CD2-CB 3.93Å; L716-L751 HydrophobicContact CD1-CD1 4.33Å
717M73.2Confident73Confident29 Ų2938.8 Ų38.814%0.14320%0.201CC..Hα-helixtrans-67.2-35.4176.3-81.2-57.5-67.700113I712 G714 G719 M720 K721 M744 N804I712-M717 WeakPolarHBondContact O-CB 3.28Å; I712-M717 WeakPolarHBondContact O-CG 3.3Å; I712-M717 PolarHBondContact O-N 2.86Å; G714-M717 PolarHBondContact O-N 3.11Å; M717-G719 VanDerWaalsContact C-N 3.35Å; M717-G719 PolarHBondContact O-N 2.83Å; M717-M720 PolarHBondContact O-N 3.36Å; M717-K721 WeakPolarHBondContact O-CB 3.28Å; M717-K721 PolarHBondContact O-N 3.28Å; M717-M744 HydrophobicContact SD-CE 4.25Å; M717-N804 HydrophobicContact CE-CB 4.02Å; M717-N804 HydrophobicContact SD-CB 3.5Å; M717-N804 WeakPolarHBondContact SD-CB 3.46Å
718N75.3Confident71.9Confident90 Ų9038.3 Ų38.348%0.48122%0.22SC..Hα-helixtrans-60.7-44.7173.2-73-18.5000111.4G714 M720 K721 V722G714-N718 WeakPolarHBondContact O-CB 3.24Å; G714-N718 PolarHBondContact O-N 2.89Å; G714-N718 PolarHBondContact O-ND2 2.9Å; N718-M720 VanDerWaalsContact C-N 3.35Å; N718-M720 PolarHBondContact O-N 3.33Å; N718-K721 PolarHBondContact O-N 3.33Å; N718-V722 WeakPolarHBondContact O-CG2 3.37Å; N718-V722 PolarHBondContact O-N 3.02Å; N718-V722 VanDerWaalsContact O-N 3.13Å
719G79.3Confident71.1Confident0 Ų040.5 Ų40.50%024%0.24CC..Hα-helixtrans-61-41.3173.500000113.1P715 L716 M717 V722 V723P715-G719 PolarHBondContact O-N 3.5Å; L716-G719 PolarHBondContact O-N 3.18Å; M717-G719 VanDerWaalsContact C-N 3.35Å; M717-G719 PolarHBondContact O-N 2.83Å; G719-V722 PolarHBondContact O-N 2.88Å; G719-V723 WeakPolarHBondContact O-CG2 3.09Å; G719-V723 PolarHBondContact O-N 2.6Å
720M73Confident70Confident2 Ų242.2 Ų42.21%0.0126%0.259CS..Hα-helixtrans-70.7-32.2177.8-70.2-48.4-62.400113.5L683 L716 M717 N718 V723 G724 M744 C802L683-M720 HydrophobicContact CD2-CG 4.47Å; L683-M720 HydrophobicContact CD2-SD 3.85Å; L716-M720 PolarHBondContact O-N 3.25Å; M717-M720 PolarHBondContact O-N 3.36Å; N718-M720 VanDerWaalsContact C-N 3.35Å; N718-M720 PolarHBondContact O-N 3.33Å; M720-V723 HydrophobicContact CE-CB 4.38Å; M720-V723 HydrophobicContact CE-CG1 4.18Å; M720-V723 WeakPolarHBondContact O-CB 3.42Å; M720-V723 PolarHBondContact O-N 3.1Å; M720-V723 HydrophobicContact SD-CG2 4.49Å; M720-G724 PolarHBondContact O-N 2.97Å; M720-M744 HydrophobicContact CG-CE 4.45Å; M720-M744 HydrophobicContact CG-CG 4.28Å; M720-M744 HydrophobicContact CG-SD 4.06Å; M720-M744 HydrophobicContact SD-CB 4.34Å; M720-C802 HydrophobicContact CE-CB 3.55Å; M720-C802 WeakPolarHBondContact CE-O 3.24Å
721K68.8Low69Low139 Ų13946.7 Ų46.760%0.60428%0.278SS*.Hα-helixtrans-62.2-45.3172-171.8176.3-179.2176.80111.1M717 N718 V723 G724 D725M717-K721 WeakPolarHBondContact O-CB 3.28Å; M717-K721 PolarHBondContact O-N 3.28Å; N718-K721 PolarHBondContact O-N 3.33Å; K721-V723 VanDerWaalsContact C-N 3.33Å; K721-V723 PolarHBondContact O-N 2.77Å; K721-G724 CarbonylContact O-C 3.45Å; K721-G724 WeakPolarHBondContact O-CA 3.34Å; K721-G724 PolarHBondContact O-N 3.18Å; K721-G724 VanDerWaalsContact O-N 3.13Å; K721-D725 VanDerWaalsContact O-CG 3.3Å; K721-D725 PolarHBondContact O-N 3.33Å
722V71.4Confident68.2Low43 Ų4347.1 Ų47.126%0.26128%0.28SS..Hα-helixtrans-63-39.6175.21780000111.4I684 N718 G719 G724 D725 L726I684-V722 HydrophobicContact CD1-CB 4.12Å; I684-V722 HydrophobicContact CD1-CG1 3.61Å; I684-V722 HydrophobicContact CG1-CB 4.36Å; I684-V722 HydrophobicContact CG1-CG1 4.04Å; N718-V722 WeakPolarHBondContact O-CG2 3.37Å; N718-V722 PolarHBondContact O-N 3.02Å; N718-V722 VanDerWaalsContact O-N 3.13Å; G719-V722 PolarHBondContact O-N 2.88Å; V722-G724 VanDerWaalsContact C-N 3.33Å; V722-D725 PolarHBondContact O-N 2.92Å; V722-L726 HydrophobicContact CG1-CD1 3.9Å; V722-L726 HydrophobicContact CG1-CG 4.24Å; V722-L726 WeakPolarHBondContact O-CB 3.49Å; V722-L726 WeakPolarHBondContact O-CG 3.29Å; V722-L726 PolarHBondContact O-N 3.08Å
723V70.2Confident67.9Low2 Ų248.2 Ų48.21%0.01229%0.285CS..Hα-helixtrans-61.1-42.6173169.40000111.1I684 G719 M720 K721 F727 M732 V737I684-V723 HydrophobicContact CG1-CG2 4.29Å; G719-V723 WeakPolarHBondContact O-CG2 3.09Å; G719-V723 PolarHBondContact O-N 2.6Å; M720-V723 HydrophobicContact CE-CB 4.38Å; M720-V723 HydrophobicContact CE-CG1 4.18Å; M720-V723 WeakPolarHBondContact O-CB 3.42Å; M720-V723 PolarHBondContact O-N 3.1Å; M720-V723 HydrophobicContact SD-CG2 4.49Å; K721-V723 VanDerWaalsContact C-N 3.33Å; K721-V723 PolarHBondContact O-N 2.77Å; V723-F727 VanDerWaalsContact O-CB 3.27Å; V723-F727 WeakPolarHBondContact O-CB 3.42Å; V723-F727 PolarHBondContact O-N 3.04Å; V723-M732 HydrophobicContact CB-SD 4.23Å; V723-M732 HydrophobicContact CG1-CE 4.11Å; V723-M732 HydrophobicContact CG1-SD 3.85Å; V723-M732 HydrophobicContact CG2-CE 4.08Å; V723-M732 HydrophobicContact CG2-SD 4.09Å; V723-V737 HydrophobicContact CG1-CG1 4.44Å; V723-V737 HydrophobicContact CG1-CG2 4.18Å
724G61.1Low67.7Low25 Ų2543.3 Ų43.326%0.25826%0.262SS..Hα-helixtrans-61.9-47.1174.400000112.9M720 K721 V722 L726 F727 G728M720-G724 PolarHBondContact O-N 2.97Å; K721-G724 CarbonylContact O-C 3.45Å; K721-G724 WeakPolarHBondContact O-CA 3.34Å; K721-G724 PolarHBondContact O-N 3.18Å; K721-G724 VanDerWaalsContact O-N 3.13Å; V722-G724 VanDerWaalsContact C-N 3.33Å; G724-L726 PolarHBondContact O-N 3.09Å; G724-F727 PolarHBondContact O-N 2.89Å; G724-G728 PolarHBondContact O-N 2.95Å
725D61.8Low67.1Low99 Ų9942.3 Ų42.353%0.52925%0.251SS..Hα-helixtrans-62.7-42.8177.7-69.3-23.1000111.3K721 V722 A729K721-D725 VanDerWaalsContact O-CG 3.3Å; K721-D725 PolarHBondContact O-N 3.33Å; V722-D725 PolarHBondContact O-N 2.92Å; D725-A729 WeakPolarHBondContact O-CB 3.45Å; D725-A729 PolarHBondContact O-N 2.93Å
726L65.5Low66.4Low48 Ų4844.7 Ų44.725%0.25126%0.262SS..Hα-helixtrans-68.1-36176.6-68.8172.4000112I684 V722 G724 G730 K731 M732I684-L726 HydrophobicContact CG2-CD1 4.25Å; V722-L726 HydrophobicContact CG1-CD1 3.9Å; V722-L726 HydrophobicContact CG1-CG 4.24Å; V722-L726 WeakPolarHBondContact O-CB 3.49Å; V722-L726 WeakPolarHBondContact O-CG 3.29Å; V722-L726 PolarHBondContact O-N 3.08Å; G724-L726 PolarHBondContact O-N 3.09Å; L726-G730 PolarHBondContact O-N 3.23Å; L726-K731 HydrophobicContact CB-CB 4.41Å; L726-K731 HydrophobicContact CD2-CB 3.96Å; L726-K731 HydrophobicContact CD2-CD 3.96Å; L726-K731 WeakPolarHBondContact O-CA 3.41Å; L726-K731 PolarHBondContact O-N 2.81Å; L726-M732 HydrophobicContact CB-CB 3.75Å; L726-M732 HydrophobicContact CB-SD 4.33Å; L726-M732 HydrophobicContact CD1-SD 4.39Å; L726-M732 PolarHBondContact O-N 2.98Å
727F62.1Low65.9Low33 Ų3344.8 Ų44.815%0.14526%0.263CS..Hα-helixtrans-69.7-46175.5-174.8-126.2000111.4V723 G724 A729 G730 M732 L734 V737V723-F727 VanDerWaalsContact O-CB 3.27Å; V723-F727 WeakPolarHBondContact O-CB 3.42Å; V723-F727 PolarHBondContact O-N 3.04Å; G724-F727 PolarHBondContact O-N 2.89Å; F727-A729 VanDerWaalsContact C-N 3.32Å; F727-A729 PolarHBondContact O-N 3.09Å; F727-G730 PolarHBondContact O-N 3.4Å; F727-M732 WeakPolarHBondContact CD2-O 3.47Å; F727-L734 HydrophobicContact CE2-CB 4.47Å; F727-V737 HydrophobicContact CB-CG2 4.04Å; F727-V737 HydrophobicContact CD1-CG2 4.4Å; F727-V737 HydrophobicContact CD2-CG2 3.67Å; F727-V737 HydrophobicContact CE2-CG2 4.21Å; F727-V737 HydrophobicContact CG-CG2 3.81Å
728G51.2Low65.7Low67 Ų6743.5 Ų43.569%0.69126%0.256SS*.Hα-helixtrans-62.9-35.3175.400000113.2G724 G730G724-G728 PolarHBondContact O-N 2.95Å; G728-G730 PolarHBondContact O-N 2.86Å
729A56.7Low65.4Low67 Ų6741 Ų4155%0.55424%0.241SC*.THydrogen-bonded Turntrans-79.50.7173.800000114.1D725 F727 K731D725-A729 WeakPolarHBondContact O-CB 3.45Å; D725-A729 PolarHBondContact O-N 2.93Å; F727-A729 VanDerWaalsContact C-N 3.32Å; F727-A729 PolarHBondContact O-N 3.09Å; A729-K731 HydrophobicContact CB-CD 4.45Å; A729-K731 HydrophobicContact CB-CG 4.33Å; A729-K731 PolarHBondContact O-N 3.37Å
730G53.2Low65.1Low43 Ų4341 Ų4144%0.44324%0.241SC..THydrogen-bonded Turntrans66.720.2-178.700000114.7L726 F727 G728L726-G730 PolarHBondContact O-N 3.23Å; F727-G730 PolarHBondContact O-N 3.4Å; G728-G730 PolarHBondContact O-N 2.86Å
731K56.6Low64.9Low157 Ų15741.7 Ų41.768%0.68325%0.247SC*.SBendtrans-92.3-17.5177.4-67-178.8179.3175.20112.9L726 A729L726-K731 HydrophobicContact CB-CB 4.41Å; L726-K731 HydrophobicContact CD2-CB 3.96Å; L726-K731 HydrophobicContact CD2-CD 3.96Å; L726-K731 WeakPolarHBondContact O-CA 3.41Å; L726-K731 PolarHBondContact O-N 2.81Å; A729-K731 HydrophobicContact CB-CD 4.45Å; A729-K731 HydrophobicContact CB-CG 4.33Å; A729-K731 PolarHBondContact O-N 3.37Å
732M64.7Low65Low11 Ų1138.9 Ų38.95%0.05423%0.233CC..SBendtrans-126.1150.7174.9-163.1164.1-174.700108.9I684 V723 L726 F727 Q736 V737 S740I684-M732 VanDerWaalsContact O-CE 3.25Å; I684-M732 WeakPolarHBondContact O-CE 3.24Å; V723-M732 HydrophobicContact CB-SD 4.23Å; V723-M732 HydrophobicContact CG1-CE 4.11Å; V723-M732 HydrophobicContact CG1-SD 3.85Å; V723-M732 HydrophobicContact CG2-CE 4.08Å; V723-M732 HydrophobicContact CG2-SD 4.09Å; L726-M732 HydrophobicContact CB-CB 3.75Å; L726-M732 HydrophobicContact CB-SD 4.33Å; L726-M732 HydrophobicContact CD1-SD 4.39Å; L726-M732 PolarHBondContact O-N 2.98Å; F727-M732 WeakPolarHBondContact CD2-O 3.47Å; M732-Q736 HydrophobicContact CE-CB 3.71Å; M732-Q736 HydrophobicContact CG-CB 3.77Å; M732-V737 HydrophobicContact CG-CG2 4.4Å; M732-S740 VanDerWaalsContact CE-OG 3.3Å; M732-S740 WeakPolarHBondContact CE-OG 3.45Å
733F69.5Low65.3Low25 Ų2536.9 Ų36.911%0.1122%0.22CC..  trans-121.3161.9-174.4-52.3-68.7000112P735 Q736 V737 L988 T1005 V1006F733-P735 VanDerWaalsContact C-CD 3.41Å; F733-P735 VanDerWaalsContact C-N 3.34Å; F733-P735 VanDerWaalsContact O-N 3.16Å; F733-Q736 WeakPolarHBondContact O-CA 3.34Å; F733-Q736 WeakPolarHBondContact O-CB 3.45Å; F733-Q736 PolarHBondContact O-N 3.12Å; F733-V737 PolarHBondContact O-N 3.29Å; F733-L988 HydrophobicContact CB-CD2 3.75Å; F733-L988 HydrophobicContact CD1-CD2 4.3Å; F733-L988 HydrophobicContact CD2-CD2 4.45Å; F733-L988 HydrophobicContact CG-CD2 3.89Å; F733-T1005 WeakPolarHBondContact CE2-O 3.19Å; F733-T1005 WeakPolarHBondContact CZ-O 3.45Å; F733-V1006 HydrophobicContact CD1-CG1 3.65Å; F733-V1006 HydrophobicContact CD2-CG1 4.3Å; F733-V1006 HydrophobicContact CE1-CB 4.48Å; F733-V1006 HydrophobicContact CE1-CG1 3.18Å; F733-V1006 HydrophobicContact CE2-CB 4.49Å; F733-V1006 HydrophobicContact CE2-CG1 3.9Å; F733-V1006 HydrophobicContact CG-CG1 4.19Å; F733-V1006 HydrophobicContact CZ-CB 4.29Å; F733-V1006 HydrophobicContact CZ-CG1 3.32Å
734L67.8Low65.7Low2 Ų237.2 Ų37.21%0.0122%0.222CC..Hα-helixtrans-50.6-41.9-174.7-176.564.6000114.5F727 Q736 V737 I738 I795 V799 W986F727-L734 HydrophobicContact CE2-CB 4.47Å; L734-Q736 PolarHBondContact O-N 3.19Å; L734-V737 PolarHBondContact O-N 2.84Å; L734-I738 HydrophobicContact CD1-CD1 4.2Å; L734-I738 HydrophobicContact CD1-CG1 4.3Å; L734-I738 HydrophobicContact CG-CD1 3.92Å; L734-I738 HydrophobicContact CG-CG1 4.47Å; L734-I738 VanDerWaalsContact O-CG1 3.28Å; L734-I738 WeakPolarHBondContact O-CG1 3.48Å; L734-I738 PolarHBondContact O-N 3.26Å; L734-I795 HydrophobicContact CD1-CG2 3.83Å; L734-I795 HydrophobicContact CD2-CD1 4.04Å; L734-I795 HydrophobicContact CD2-CG1 4.14Å; L734-I795 HydrophobicContact CD2-CG2 3.55Å; L734-I795 HydrophobicContact CG-CG2 4.34Å; L734-V799 HydrophobicContact CD1-CG2 3.74Å; L734-W986 HydrophobicContact CD2-CE3 4.48Å
735P64.4Low66.3Low0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-60.8-29.8175.8-22.733000114.4F733 K739 W986 L988 E1009 V1013F733-P735 VanDerWaalsContact C-CD 3.41Å; F733-P735 VanDerWaalsContact C-N 3.34Å; F733-P735 VanDerWaalsContact O-N 3.16Å; P735-K739 PolarHBondContact O-N 3.13Å; P735-W986 HydrophobicContact CG-CE3 4.09Å; P735-L988 HydrophobicContact CG-CD1 4.4Å; P735-E1009 HydrophobicContact CB-CG 4.27Å; P735-E1009 HydrophobicContact CG-CG 4.38Å; P735-V1013 HydrophobicContact CB-CG2 3.78Å; P735-V1013 HydrophobicContact CG-CG2 3.56Å
736Q67.9Low67Low56 Ų5641.4 Ų41.426%0.26223%0.229SC..Hα-helixtrans-80.9-41.3178.2-61.6170.4-35.900110.3M732 F733 L734 I738 K739 S740 E1009M732-Q736 HydrophobicContact CE-CB 3.71Å; M732-Q736 HydrophobicContact CG-CB 3.77Å; F733-Q736 WeakPolarHBondContact O-CA 3.34Å; F733-Q736 WeakPolarHBondContact O-CB 3.45Å; F733-Q736 PolarHBondContact O-N 3.12Å; L734-Q736 PolarHBondContact O-N 3.19Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 3.05Å; Q736-K739 WeakPolarHBondContact O-CB 3.39Å; Q736-K739 PolarHBondContact O-N 3.3Å; Q736-S740 PolarHBondContact O-N 2.99Å; Q736-S740 PolarHBondContact O-OG 3.49Å; Q736-E1009 HydrophobicContact CG-CG 4.22Å
737V69.9Low67.8Low3 Ų339.1 Ų39.12%0.01822%0.217CC..Hα-helixtrans-57.4-42.9173.6177.50000110.8V723 F727 M732 F733 L734 K739 S740 A741V723-V737 HydrophobicContact CG1-CG1 4.44Å; V723-V737 HydrophobicContact CG1-CG2 4.18Å; F727-V737 HydrophobicContact CB-CG2 4.04Å; F727-V737 HydrophobicContact CD1-CG2 4.4Å; F727-V737 HydrophobicContact CD2-CG2 3.67Å; F727-V737 HydrophobicContact CE2-CG2 4.21Å; F727-V737 HydrophobicContact CG-CG2 3.81Å; M732-V737 HydrophobicContact CG-CG2 4.4Å; F733-V737 PolarHBondContact O-N 3.29Å; L734-V737 PolarHBondContact O-N 2.84Å; V737-K739 VanDerWaalsContact C-N 3.29Å; V737-K739 PolarHBondContact O-N 2.86Å; V737-S740 WeakPolarHBondContact O-CB 3.4Å; V737-S740 PolarHBondContact O-N 3.49Å; V737-A741 PolarHBondContact O-N 2.88Å
738I68.4Low68.5Low2 Ų238.5 Ų38.51%0.0122%0.215CC..Hα-helixtrans-63.1-34.1176.2-66.9164.8000111.8L734 Q736 A741 R742 V798 W986L734-I738 HydrophobicContact CD1-CD1 4.2Å; L734-I738 HydrophobicContact CD1-CG1 4.3Å; L734-I738 HydrophobicContact CG-CD1 3.92Å; L734-I738 HydrophobicContact CG-CG1 4.47Å; L734-I738 VanDerWaalsContact O-CG1 3.28Å; L734-I738 WeakPolarHBondContact O-CG1 3.48Å; L734-I738 PolarHBondContact O-N 3.26Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 3.05Å; I738-A741 VanDerWaalsContact O-CB 3.26Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.04Å; I738-R742 WeakPolarHBondContact O-CG 3.39Å; I738-R742 PolarHBondContact O-N 3.48Å; I738-V798 HydrophobicContact CG1-CG1 4.05Å; I738-W986 HydrophobicContact CD1-CE3 4.42Å; I738-W986 HydrophobicContact CD1-CZ3 3.68Å
739K69.2Low69.7Low37 Ų3737.2 Ų37.216%0.16120%0.202CC..Hα-helixtrans-70.7-40.9175.1-75.7171.9-175143.30112.1P735 Q736 V737 A741 R742 V743 E1009 R1012P735-K739 PolarHBondContact O-N 3.13Å; Q736-K739 WeakPolarHBondContact O-CB 3.39Å; Q736-K739 PolarHBondContact O-N 3.3Å; V737-K739 VanDerWaalsContact C-N 3.29Å; V737-K739 PolarHBondContact O-N 2.86Å; K739-A741 VanDerWaalsContact C-N 3.29Å; K739-A741 PolarHBondContact O-N 2.98Å; K739-R742 PolarHBondContact O-N 3.21Å; K739-V743 PolarHBondContact O-N 3.03Å; K739-E1009 IonicContact NZ-OE1 2.74Å; K739-R1012 VanDerWaalsContact NZ-NH2 3.14Å
740S73.8Confident70.9Confident0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-60-41.1172-56.90000111.3L683 M732 Q736 V737 R742 V743 M744L683-S740 WeakPolarHBondContact O-CB 3.37Å; L683-S740 PolarHBondContact O-OG 3.38Å; M732-S740 VanDerWaalsContact CE-OG 3.3Å; M732-S740 WeakPolarHBondContact CE-OG 3.45Å; Q736-S740 PolarHBondContact O-N 2.99Å; Q736-S740 PolarHBondContact O-OG 3.49Å; V737-S740 WeakPolarHBondContact O-CB 3.4Å; V737-S740 PolarHBondContact O-N 3.49Å; S740-R742 VanDerWaalsContact C-N 3.3Å; S740-R742 PolarHBondContact O-N 3.23Å; S740-V743 WeakPolarHBondContact O-CB 3.12Å; S740-V743 PolarHBondContact O-N 3.06Å; S740-M744 PolarHBondContact O-N 3.47Å
741A69.4Low72.1Confident16 Ų1635.1 Ų35.113%0.13217%0.167CC..Hα-helixtrans-55.2-42.7174.100000113V737 I738 K739 M744 K745 V798 C802V737-A741 PolarHBondContact O-N 2.88Å; I738-A741 VanDerWaalsContact O-CB 3.26Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.04Å; K739-A741 VanDerWaalsContact C-N 3.29Å; K739-A741 PolarHBondContact O-N 2.98Å; A741-M744 WeakPolarHBondContact O-CB 3.23Å; A741-M744 PolarHBondContact O-N 2.87Å; A741-K745 WeakPolarHBondContact O-CB 3.26Å; A741-K745 PolarHBondContact O-N 2.98Å; A741-V798 HydrophobicContact CB-CG1 4.38Å; A741-C802 WeakPolarHBondContact CB-SG 3.47Å
742R70.9Confident73.1Confident81 Ų8131 Ų3131%0.30615%0.151SC..Hα-helixtrans-64.9-41.9179.3-72.8170.451.3153.31.4111.8E688 I738 K739 S740 M744 K745 K746E688-R742 WeakPolarHBondContact OE1-CB 3.46Å; E688-R742 IonicContact OE1-CZ 3.27Å; E688-R742 IonicContact OE1-NE 2.78Å; E688-R742 PolarHBondContact OE1-NE 3.37Å; E688-R742 IonicContact OE1-NH2 2.85Å; E688-R742 PolarHBondContact OE1-NH2 3.09Å; E688-R742 IonicContact OE2-NH2 2.91Å; E688-R742 PolarHBondContact OE2-NH2 3.03Å; I738-R742 WeakPolarHBondContact O-CG 3.39Å; I738-R742 PolarHBondContact O-N 3.48Å; K739-R742 PolarHBondContact O-N 3.21Å; S740-R742 VanDerWaalsContact C-N 3.3Å; S740-R742 PolarHBondContact O-N 3.23Å; R742-M744 VanDerWaalsContact C-N 3.35Å; R742-K745 PolarHBondContact O-N 3.46Å; R742-K746 VanDerWaalsContact O-CB 3.3Å; R742-K746 WeakPolarHBondContact O-CB 3.48Å; R742-K746 PolarHBondContact O-N 3.07Å
743V78Confident73.7Confident0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-61.2-45.8174.4179.50000110.1L683 E688 V691 K739 S740 K746 A747L683-V743 HydrophobicContact CD2-CB 4Å; L683-V743 HydrophobicContact CD2-CG1 3.81Å; L683-V743 HydrophobicContact CG-CG1 4.15Å; E688-V743 HydrophobicContact CG-CG2 3.9Å; V691-V743 HydrophobicContact CB-CG1 4.03Å; V691-V743 HydrophobicContact CG2-CG1 3.6Å; K739-V743 PolarHBondContact O-N 3.03Å; S740-V743 WeakPolarHBondContact O-CB 3.12Å; S740-V743 PolarHBondContact O-N 3.06Å; V743-K746 PolarHBondContact O-N 3.43Å; V743-A747 WeakPolarHBondContact O-CB 3.47Å; V743-A747 PolarHBondContact O-N 3.25Å
744M78Confident74.3Confident9 Ų936 Ų364%0.04418%0.181CC..Hα-helixtrans-60.3-50.8176.4-17563.2172.200112.3L683 I712 L716 M717 M720 S740 A741 R742 K746 A747 V748L683-M744 HydrophobicContact CD2-CB 3.94Å; L683-M744 HydrophobicContact CD2-SD 4.5Å; I712-M744 HydrophobicContact CG2-CE 4.06Å; L716-M744 HydrophobicContact CB-CE 4.17Å; L716-M744 HydrophobicContact CB-SD 3.81Å; L716-M744 HydrophobicContact CD1-SD 4.4Å; L716-M744 HydrophobicContact CG-SD 4.48Å; M717-M744 HydrophobicContact SD-CE 4.25Å; M720-M744 HydrophobicContact CG-CE 4.45Å; M720-M744 HydrophobicContact CG-CG 4.28Å; M720-M744 HydrophobicContact CG-SD 4.06Å; M720-M744 HydrophobicContact SD-CB 4.34Å; S740-M744 PolarHBondContact O-N 3.47Å; A741-M744 WeakPolarHBondContact O-CB 3.23Å; A741-M744 PolarHBondContact O-N 2.87Å; R742-M744 VanDerWaalsContact C-N 3.35Å; M744-K746 VanDerWaalsContact C-N 3.3Å; M744-K746 PolarHBondContact O-N 3.34Å; M744-A747 WeakPolarHBondContact O-CB 3.48Å; M744-A747 PolarHBondContact O-N 2.97Å; M744-A747 VanDerWaalsContact O-N 3.15Å; M744-V748 HydrophobicContact CE-CG2 4.05Å; M744-V748 HydrophobicContact CG-CG2 4.46Å; M744-V748 WeakPolarHBondContact O-CG2 3.33Å; M744-V748 PolarHBondContact O-N 3.13Å; M744-V748 HydrophobicContact SD-CG2 4.22Å
745K73.3Confident74.5Confident124 Ų12437.6 Ų37.654%0.53919%0.189SC..Hα-helixtrans-61.7-37.2179.8-169.7175.4-176.7175.80112.2A741 R742 G749 D1125A741-K745 WeakPolarHBondContact O-CB 3.26Å; A741-K745 PolarHBondContact O-N 2.98Å; R742-K745 PolarHBondContact O-N 3.46Å; K745-G749 WeakPolarHBondContact O-CA 3.35Å; K745-G749 PolarHBondContact O-N 2.96Å; K745-D1125 IonicContact NZ-OD2 3.05Å
746K77.1Confident74.9Confident89 Ų8943.2 Ų43.239%0.38722%0.215SC..Hα-helixtrans-69.2-39.1175.7-170.7175.5178.9-171.90112.1E688 V691 V692 R742 V743 M744 Y750E688-K746 HydrophobicContact CB-CD 4.41Å; E688-K746 PolarHBondContact O-NZ 3.36Å; V691-K746 HydrophobicContact CG1-CB 4.28Å; V691-K746 HydrophobicContact CG1-CD 3.79Å; V691-K746 HydrophobicContact CG1-CG 4Å; V692-K746 HydrophobicContact CG2-CG 4.35Å; R742-K746 VanDerWaalsContact O-CB 3.3Å; R742-K746 WeakPolarHBondContact O-CB 3.48Å; R742-K746 PolarHBondContact O-N 3.07Å; V743-K746 PolarHBondContact O-N 3.43Å; M744-K746 VanDerWaalsContact C-N 3.3Å; M744-K746 PolarHBondContact O-N 3.34Å; K746-Y750 PolarHBondContact O-N 3.45Å
747A81.2Confident75.2Confident0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-64.6-51.9174.300000111.9V691 V695 L716 V743 M744 Y750 L751V691-A747 HydrophobicContact CG2-CB 3.82Å; V695-A747 HydrophobicContact CG2-CB 3.81Å; L716-A747 HydrophobicContact CD1-CB 3.79Å; L716-A747 HydrophobicContact CD2-CB 3.93Å; V743-A747 WeakPolarHBondContact O-CB 3.47Å; V743-A747 PolarHBondContact O-N 3.25Å; M744-A747 WeakPolarHBondContact O-CB 3.48Å; M744-A747 PolarHBondContact O-N 2.97Å; M744-A747 VanDerWaalsContact O-N 3.15Å; A747-Y750 WeakPolarHBondContact O-CB 3.49Å; A747-Y750 PolarHBondContact O-N 3.18Å; A747-L751 PolarHBondContact O-N 3.48Å
748V78.3Confident75.2Confident20 Ų2047.9 Ų47.912%0.12123%0.234CC..Hα-helixtrans-64.8-41.3178.7176.10000111.2I712 M744 Y750 L751 I752I712-V748 HydrophobicContact CD1-CG1 4.22Å; I712-V748 HydrophobicContact CD1-CG2 4.16Å; I712-V748 HydrophobicContact CG1-CG2 4.33Å; M744-V748 HydrophobicContact CE-CG2 4.05Å; M744-V748 HydrophobicContact CG-CG2 4.46Å; M744-V748 WeakPolarHBondContact O-CG2 3.33Å; M744-V748 PolarHBondContact O-N 3.13Å; M744-V748 HydrophobicContact SD-CG2 4.22Å; V748-Y750 PolarHBondContact O-N 3.3Å; V748-L751 WeakPolarHBondContact O-CA 3.3Å; V748-L751 PolarHBondContact O-N 2.98Å; V748-I752 HydrophobicContact CG1-CD1 4.38Å; V748-I752 HydrophobicContact CG1-CG1 4.37Å; V748-I752 WeakPolarHBondContact O-CG1 3.22Å; V748-I752 PolarHBondContact O-N 3.43Å
749G74.8Confident75Confident40 Ų4054.3 Ų54.341%0.41226%0.259SS..Hα-helixtrans-56.8-32.4175.200000113.6K745K745-G749 WeakPolarHBondContact O-CA 3.35Å; K745-G749 PolarHBondContact O-N 2.96Å
750Y81.6Confident74.8Confident65 Ų6559.2 Ų59.226%0.25528%0.282SS..Hα-helixtrans-74.3-33.3173-176.4-105.5000112.9V692 V695 E696 K746 A747 V748 P753 F754V692-Y750 HydrophobicContact CG1-CD1 4.4Å; V692-Y750 HydrophobicContact CG1-CD2 3.81Å; V692-Y750 HydrophobicContact CG1-CE1 4.42Å; V692-Y750 HydrophobicContact CG1-CE2 3.85Å; V692-Y750 HydrophobicContact CG1-CG 4.1Å; V695-Y750 HydrophobicContact CG1-CD1 3.9Å; E696-Y750 HydrophobicContact CB-CE1 4.27Å; K746-Y750 PolarHBondContact O-N 3.45Å; A747-Y750 WeakPolarHBondContact O-CB 3.49Å; A747-Y750 PolarHBondContact O-N 3.18Å; V748-Y750 PolarHBondContact O-N 3.3Å; Y750-P753 WeakPolarHBondContact O-CD 2.94Å; Y750-F754 HydrophobicContact CD1-CE2 4.31Å; Y750-F754 AromaticContact CE1-CE2 3.92Å; Y750-F754 HydrophobicContact CE1-CE2 3.92Å; Y750-F754 HydrophobicContact CE2-CE2 4.42Å; Y750-F754 AromaticContact CZ-CE2 3.97Å; Y750-F754 VanDerWaalsContact O-CD2 3.27Å; Y750-F754 WeakPolarHBondContact O-CD2 3.43Å; Y750-F754 WeakPolarHBondContact O-CE2 3.42Å
751L80.3Confident74.5Confident0 Ų064.7 Ų64.70%031%0.308CS..Hα-helixtrans-79.5-26-178.6-68.3171.7000113.9V695 P708 I711 I712 L716 A747 V748 F754 M755V695-L751 HydrophobicContact CG1-CD1 3.99Å; V695-L751 HydrophobicContact CG1-CD2 3.57Å; V695-L751 HydrophobicContact CG1-CG 3.72Å; P708-L751 HydrophobicContact CB-CD2 4.4Å; I711-L751 HydrophobicContact CB-CD1 4.2Å; I711-L751 HydrophobicContact CD1-CD2 4.18Å; I711-L751 HydrophobicContact CG2-CD1 4.24Å; I712-L751 HydrophobicContact CD1-CD1 4.15Å; I712-L751 HydrophobicContact CG1-CD1 3.65Å; L716-L751 HydrophobicContact CD1-CD1 4.33Å; A747-L751 PolarHBondContact O-N 3.48Å; V748-L751 WeakPolarHBondContact O-CA 3.3Å; V748-L751 PolarHBondContact O-N 2.98Å; L751-F754 WeakPolarHBondContact O-CB 3.46Å; L751-F754 PolarHBondContact O-N 3.48Å; L751-M755 HydrophobicContact CB-SD 4.38Å; L751-M755 PolarHBondContact O-N 3.46Å
752I76.2Confident74.1Confident70 Ų7068.2 Ų68.236%0.35932%0.322SS..Hα-helixtrans-49.5-51.8-177.6-77.5163.3000113.2V748 F754 M755 E756V748-I752 HydrophobicContact CG1-CD1 4.38Å; V748-I752 HydrophobicContact CG1-CG1 4.37Å; V748-I752 WeakPolarHBondContact O-CG1 3.22Å; V748-I752 PolarHBondContact O-N 3.43Å; I752-F754 PolarHBondContact O-N 2.76Å; I752-M755 PolarHBondContact O-N 3.27Å; I752-M755 VanDerWaalsContact O-N 3.16Å; I752-E756 HydrophobicContact CG2-CG 4.41Å; I752-E756 WeakPolarHBondContact O-CG 3.4Å; I752-E756 PolarHBondContact O-N 3.1Å
753P78.8Confident73.4Confident74 Ų7469.5 Ų69.548%0.48133%0.333SS..Hα-helixtrans-61.7-29.1-179.7-23.234.2000113.7Y750 K757Y750-P753 WeakPolarHBondContact O-CD 2.94Å; P753-K757 WeakPolarHBondContact O-CB 3.43Å; P753-K757 PolarHBondContact O-N 2.89Å
754F80.3Confident72.6Confident68 Ų6873.9 Ų73.930%0.29837%0.369SS..Hα-helixtrans-77.6-36.7177.9-60.9-80.6000111.9Q699 P708 Y750 L751 I752 K757 E758Q699-F754 VanDerWaalsContact NE2-CD1 3.32Å; Q699-F754 VanDerWaalsContact NE2-CE1 3.3Å; P708-F754 HydrophobicContact CB-CB 4.45Å; P708-F754 HydrophobicContact CG-CB 4.06Å; Y750-F754 HydrophobicContact CD1-CE2 4.31Å; Y750-F754 AromaticContact CE1-CE2 3.92Å; Y750-F754 HydrophobicContact CE1-CE2 3.92Å; Y750-F754 HydrophobicContact CE2-CE2 4.42Å; Y750-F754 AromaticContact CZ-CE2 3.97Å; Y750-F754 VanDerWaalsContact O-CD2 3.27Å; Y750-F754 WeakPolarHBondContact O-CD2 3.43Å; Y750-F754 WeakPolarHBondContact O-CE2 3.42Å; L751-F754 WeakPolarHBondContact O-CB 3.46Å; L751-F754 PolarHBondContact O-N 3.48Å; I752-F754 PolarHBondContact O-N 2.76Å; F754-K757 PolarHBondContact O-N 2.73Å; F754-E758 WeakPolarHBondContact O-CB 3.45Å; F754-E758 PolarHBondContact O-N 2.83Å
755M72.9Confident71.7Confident36 Ų3677.6 Ų77.618%0.17740%0.402CS..Hα-helixtrans-67.5-40174.1-67.3171.962.700111.7P708 L709 I712 L751 I752 R759 P774P708-M755 HydrophobicContact CB-CG 3.78Å; L709-M755 HydrophobicContact CD1-CE 3.92Å; I712-M755 HydrophobicContact CD1-CE 4.39Å; I712-M755 HydrophobicContact CD1-SD 3.74Å; L751-M755 HydrophobicContact CB-SD 4.38Å; L751-M755 PolarHBondContact O-N 3.46Å; I752-M755 PolarHBondContact O-N 3.27Å; I752-M755 VanDerWaalsContact O-N 3.16Å; M755-R759 VanDerWaalsContact O-CB 3.3Å; M755-R759 WeakPolarHBondContact O-CB 3.3Å; M755-R759 PolarHBondContact O-N 3.19Å; M755-P774 HydrophobicContact CE-CB 3.66Å; M755-P774 HydrophobicContact CE-CG 4.14Å
756E72.6Confident70.6Confident118 Ų11874.8 Ų74.855%0.55140%0.398SS*.Hα-helixtrans-62.9-44.2174.5-72.7178164.100111.2I752 R759 E760I752-E756 HydrophobicContact CG2-CG 4.41Å; I752-E756 WeakPolarHBondContact O-CG 3.4Å; I752-E756 PolarHBondContact O-N 3.1Å; E756-R759 WeakPolarHBondContact O-CB 3.49Å; E756-R759 PolarHBondContact O-N 3.46Å; E756-E760 WeakPolarHBondContact O-CG 3.48Å; E756-E760 PolarHBondContact O-N 3.1Å
757K74.2Confident69.5Low122 Ų12274.3 Ų74.353%0.5342%0.418SS..Hα-helixtrans-64.5-43.2176.8-170.7-179.6176.6-170.70113.1P753 F754 R759 E760 E761P753-K757 WeakPolarHBondContact O-CB 3.43Å; P753-K757 PolarHBondContact O-N 2.89Å; F754-K757 PolarHBondContact O-N 2.73Å; K757-R759 VanDerWaalsContact C-N 3.3Å; K757-R759 PolarHBondContact O-N 3.23Å; K757-E760 PolarHBondContact O-N 2.9Å; K757-E761 VanDerWaalsContact CE-OE1 3.25Å; K757-E761 WeakPolarHBondContact CE-OE1 3.44Å; K757-E761 WeakPolarHBondContact O-CB 3.44Å; K757-E761 VanDerWaalsContact O-CG 3.32Å; K757-E761 WeakPolarHBondContact O-CG 3.37Å; K757-E761 PolarHBondContact O-N 2.93Å
758E70.3Confident67.8Low34 Ų3478.5 Ų78.516%0.15945%0.447CS..Hα-helixtrans-61.3-40.2174-174.5-165.2179.400111.2R707 P708 F754 E761 M762R707-E758 VanDerWaalsContact CG-OE1 3.27Å; R707-E758 WeakPolarHBondContact CG-OE1 3.29Å; R707-E758 IonicContact CZ-OE1 3.98Å; R707-E758 IonicContact NE-OE1 3Å; R707-E758 PolarHBondContact NE-OE1 2.96Å; P708-E758 VanDerWaalsContact CD-OE2 3.31Å; P708-E758 WeakPolarHBondContact CD-OE2 3.4Å; F754-E758 WeakPolarHBondContact O-CB 3.45Å; F754-E758 PolarHBondContact O-N 2.83Å; E758-E761 PolarHBondContact O-N 3.13Å; E758-M762 HydrophobicContact CG-CE 4.09Å; E758-M762 WeakPolarHBondContact O-CG 3.23Å; E758-M762 PolarHBondContact O-N 2.75Å; E758-M762 VanDerWaalsContact OE1-CE 3.26Å; E758-M762 WeakPolarHBondContact OE1-CE 3.47Å
759R63.5Low66.1Low137 Ų13780.8 Ų80.852%0.51747%0.468SS..Hα-helixtrans-64.9-41.5177.3-170.2179.4-177.2-179.22.1111.9M755 E756 K757 M763M755-R759 VanDerWaalsContact O-CB 3.3Å; M755-R759 WeakPolarHBondContact O-CB 3.3Å; M755-R759 PolarHBondContact O-N 3.19Å; E756-R759 WeakPolarHBondContact O-CB 3.49Å; E756-R759 PolarHBondContact O-N 3.46Å; K757-R759 VanDerWaalsContact C-N 3.3Å; K757-R759 PolarHBondContact O-N 3.23Å; R759-M763 HydrophobicContact CG-CE 4.36Å; R759-M763 WeakPolarHBondContact O-CB 3.46Å; R759-M763 WeakPolarHBondContact O-CG 3.22Å; R759-M763 PolarHBondContact O-N 3.06Å
760E65.7Low64.7Low141 Ų14187.4 Ų87.466%0.65949%0.488SS*.Hα-helixtrans-63.7-41.1173.3-73.3179.8172.500112E756 K757 M763 A764E756-E760 WeakPolarHBondContact O-CG 3.48Å; E756-E760 PolarHBondContact O-N 3.1Å; K757-E760 PolarHBondContact O-N 2.9Å; E760-M763 PolarHBondContact O-N 2.94Å; E760-A764 PolarHBondContact O-N 3.3Å
761E67.1Low63.2Low115 Ų11590.5 Ų90.554%0.53751%0.505SS..Hα-helixtrans-68.2-38.9177.6-73.1173.5-17600112.5K757 E758 A764 A765K757-E761 VanDerWaalsContact CE-OE1 3.25Å; K757-E761 WeakPolarHBondContact CE-OE1 3.44Å; K757-E761 WeakPolarHBondContact O-CB 3.44Å; K757-E761 VanDerWaalsContact O-CG 3.32Å; K757-E761 WeakPolarHBondContact O-CG 3.37Å; K757-E761 PolarHBondContact O-N 2.93Å; E758-E761 PolarHBondContact O-N 3.13Å; E761-A764 PolarHBondContact O-N 3.03Å; E761-A765 WeakPolarHBondContact O-CB 3.49Å; E761-A765 PolarHBondContact O-N 3.17Å
762M60.3Low61.8Low89 Ų8994.6 Ų94.644%0.43853%0.531SS..Hα-helixtrans-69.3-40.2172.5-74.2-156.5-163.900112.4E758 A764 A765 S766E758-M762 HydrophobicContact CG-CE 4.09Å; E758-M762 WeakPolarHBondContact O-CG 3.23Å; E758-M762 PolarHBondContact O-N 2.75Å; E758-M762 VanDerWaalsContact OE1-CE 3.26Å; E758-M762 WeakPolarHBondContact OE1-CE 3.47Å; M762-A764 PolarHBondContact O-N 3.03Å; M762-A765 PolarHBondContact O-N 2.83Å; M762-S766 PolarHBondContact O-N 3.24Å; M762-S766 PolarHBondContact O-OG 3.02Å; M762-S766 VanDerWaalsContact O-OG 3.09Å
763M57.7Low60.9Low108 Ų10895 Ų9553%0.53253%0.533SS..Hα-helixtrans-58.9-36.3173.3-83.5-168.4-172.300111.9R759 E760 A765R759-M763 HydrophobicContact CG-CE 4.36Å; R759-M763 WeakPolarHBondContact O-CB 3.46Å; R759-M763 WeakPolarHBondContact O-CG 3.22Å; R759-M763 PolarHBondContact O-N 3.06Å; E760-M763 PolarHBondContact O-N 2.94Å; M763-A765 VanDerWaalsContact C-N 3.32Å
764A60.7Low60.1Low92 Ų9293.4 Ų93.476%0.7652%0.523SS*.Hα-helixtrans-72.1-21.9175.900000113.8E760 E761 M762E760-A764 PolarHBondContact O-N 3.3Å; E761-A764 PolarHBondContact O-N 3.03Å; M762-A764 PolarHBondContact O-N 3.03Å
765A58.7Low59.5Low87 Ų8794 Ų9472%0.71952%0.524SS*.Hα-helixtrans-102.5-32.8-17200000115.4E761 M762 M763E761-A765 WeakPolarHBondContact O-CB 3.49Å; E761-A765 PolarHBondContact O-N 3.17Å; M762-A765 PolarHBondContact O-N 2.83Å; M763-A765 VanDerWaalsContact C-N 3.32Å
766S51.4Low59.4Low66 Ų6697.1 Ų97.146%0.46254%0.538SS..Hα-helixtrans-123.4-7.1-168.662.60000116.3M762 S768M762-S766 PolarHBondContact O-N 3.24Å; M762-S766 PolarHBondContact O-OG 3.02Å; M762-S766 VanDerWaalsContact O-OG 3.09Å; S766-S768 PolarHBondContact O-N 3Å; S766-S768 PolarHBondContact O-OG 3.44Å; S766-S768 VanDerWaalsContact O-OG 3.06Å; S766-S768 PolarHBondContact OG-O 3.16Å
767G52.1Low60Low79 Ų7991.7 Ų91.781%0.81451%0.514SS*.SBendtrans57.110.2176.100000115.9
768S46.1Very low60.7Low87 Ų8786 Ų8661%0.60849%0.49SS*.  trans-139.1120.6-179.343.90000108.5S766S766-S768 PolarHBondContact O-N 3Å; S766-S768 PolarHBondContact O-OG 3.44Å; S766-S768 VanDerWaalsContact O-OG 3.06Å; S766-S768 PolarHBondContact OG-O 3.16Å
769A42.7Very low61.8Low68 Ų6884.5 Ų84.556%0.56248%0.483SS*.  trans-96.5100.9175.600000107.7E771A769-E771 PolarHBondContact O-N 3.28Å
770E44.9Very low63.3Low179 Ų17978 Ų7884%0.83646%0.458SS*.  trans-70.3106.8149.5-81.6-178.9170.200106T772E770-T772 PolarHBondContact O-N 3.39Å
771E50.1Low64.6Low130 Ų13071.9 Ų71.961%0.60743%0.43SS*.  trans-65.776166.3-72.8-169.8143.600108.1A769 D773 K827A769-E771 PolarHBondContact O-N 3.28Å; E771-D773 VanDerWaalsContact C-N 3.32Å; E771-D773 PolarHBondContact O-N 3.11Å; E771-D773 VanDerWaalsContact O-N 3.1Å; E771-K827 IonicContact OE2-NZ 3.04Å; E771-K827 PolarHBondContact OE2-NZ 3.19Å
772T52.7Low65.9Low87 Ų8766.4 Ų66.453%0.53440%0.404SS..  trans-74.396.9160.813.90000106.4E770E770-T772 PolarHBondContact O-N 3.39Å
773D57.2Low67.3Low77 Ų7762.2 Ų62.241%0.41238%0.384SS..  trans-60.6126173.4-162.8-33.3000107.9E771 Y775E771-D773 VanDerWaalsContact C-N 3.32Å; E771-D773 PolarHBondContact O-N 3.11Å; E771-D773 VanDerWaalsContact O-N 3.1Å; D773-Y775 PolarHBondContact O-N 2.84Å; D773-Y775 VanDerWaalsContact O-N 3.11Å; D773-Y775 VanDerWaalsContact OD1-CD2 3.28Å; D773-Y775 WeakPolarHBondContact OD1-CD2 3.34Å; D773-Y775 PolarHBondContact OD1-N 2.87Å
774P60.6Low68.8Low41 Ų4157.1 Ų57.127%0.26636%0.358SS..SBendtrans-65.7-8.1-179.226.7-37.2000114.3L709 M755 N804L709-P774 HydrophobicContact CD1-CB 3.74Å; M755-P774 HydrophobicContact CE-CB 3.66Å; M755-P774 HydrophobicContact CE-CG 4.14Å; P774-N804 PolarHBondContact O-ND2 3.46Å
775Y68.3Low69.9Low81 Ų8156 Ų5632%0.31834%0.337SS..SBendtrans-100.4150.1-179.9-61.2-78.3000111.8D773 G777 N804 R806D773-Y775 PolarHBondContact O-N 2.84Å; D773-Y775 VanDerWaalsContact O-N 3.11Å; D773-Y775 VanDerWaalsContact OD1-CD2 3.28Å; D773-Y775 WeakPolarHBondContact OD1-CD2 3.34Å; D773-Y775 PolarHBondContact OD1-N 2.87Å; Y775-G777 PolarHBondContact O-N 3.27Å; Y775-N804 CarbonylContact C-O 3.53Å; Y775-N804 WeakPolarHBondContact CA-O 3.37Å; Y775-N804 WeakPolarHBondContact CB-O 3.18Å; Y775-R806 HydrophobicContact CD1-CB 4.1Å; Y775-R806 HydrophobicContact CD2-CB 3.67Å; Y775-R806 HydrophobicContact CD2-CG 4.14Å; Y775-R806 HydrophobicContact CE2-CB 4.2Å; Y775-R806 HydrophobicContact CE2-CG 4.27Å; Y775-R806 HydrophobicContact CG-CB 3.62Å
776Q71.6Confident70.7Confident101 Ų10152.1 Ų52.147%0.47231%0.305SS..SBendtrans-65.4-21176.3-70.9-170.7-19.100113.4N803 N804 F805Q776-N803 PolarHBondContact OE1-O 3.2Å; Q776-N804 HydrophobicContact CG-CB 4.39Å; Q776-N804 PolarHBondContact N-O 2.88Å; Q776-F805 HydrophobicContact CB-CD1 4.27Å; Q776-F805 HydrophobicContact CB-CE1 3.95Å; Q776-F805 HydrophobicContact CB-CZ 4.34Å
777G84.2Confident72.1Confident5 Ų549 Ų495%0.05228%0.283CS..  trans175157.2177.400000111.3Y775 R806 D829Y775-G777 PolarHBondContact O-N 3.27Å; G777-R806 PolarHBondContact O-N 2.88Å; G777-D829 WeakPolarHBondContact CA-OD2 3.42Å
778T89.4Confident73.3Confident3 Ų345.9 Ų45.92%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-100.5124.9177.5-62.90000110.8R806 I808 D829 V830T778-R806 WeakPolarHBondContact CA-O 3.23Å; T778-R806 HydrophobicContact CG2-CB 4.47Å; T778-R806 HydrophobicContact CG2-CG 4.44Å; T778-I808 HydrophobicContact CG2-CD1 3.81Å; T778-I808 HydrophobicContact CG2-CG1 4.4Å; T778-D829 PolarHBondContact N-OD2 2.94Å; T778-D829 PolarHBondContact O-N 2.94Å; T778-V830 PolarHBondContact O-N 3.16Å
779I92.6Very high75.1Confident2 Ų243.7 Ų43.71%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-119124.4-176.6-51.8-178.4000109.4L781 L800 F805 R806 I808 V830 C897I779-L781 HydrophobicContact CG2-CD2 3.83Å; I779-L781 HydrophobicContact CG2-CG 4.12Å; I779-L800 HydrophobicContact CD1-CB 4.38Å; I779-L800 HydrophobicContact CD1-CD1 3.73Å; I779-L800 HydrophobicContact CD1-CD2 3.82Å; I779-L800 HydrophobicContact CD1-CG 4.18Å; I779-L800 HydrophobicContact CG2-CD1 4.35Å; I779-F805 HydrophobicContact CD1-CB 3.87Å; I779-F805 HydrophobicContact CD1-CD1 3.7Å; I779-F805 HydrophobicContact CD1-CD2 4.46Å; I779-F805 HydrophobicContact CD1-CE1 4.41Å; I779-F805 HydrophobicContact CD1-CG 3.74Å; I779-F805 HydrophobicContact CG1-CB 4.35Å; I779-F805 HydrophobicContact CG1-CD1 4.2Å; I779-F805 HydrophobicContact CG1-CG 4.49Å; I779-R806 PolarHBondContact N-O 3.02Å; I779-I808 PolarHBondContact O-N 3.06Å; I779-V830 WeakPolarHBondContact CA-O 3.41Å; I779-V830 HydrophobicContact CG1-CB 4.18Å; I779-V830 HydrophobicContact CG2-CB 4.31Å; I779-V830 HydrophobicContact CG2-CG1 4.31Å; I779-C897 HydrophobicContact CD1-CB 4.29Å
780V95.4Very high77Confident0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-96.8117.1171.7168.90000109.2I808 L810 A828 V830 G832V780-I808 WeakPolarHBondContact CA-O 3.43Å; V780-I808 HydrophobicContact CG2-CB 4.16Å; V780-L810 HydrophobicContact CG1-CD1 3.64Å; V780-L810 HydrophobicContact CG1-CG 3.97Å; V780-A828 HydrophobicContact CB-CB 4.19Å; V780-A828 HydrophobicContact CG2-CB 3.63Å; V780-V830 PolarHBondContact N-O 2.98Å; V780-G832 PolarHBondContact O-N 2.93Å
781L93.9Very high78.7Confident12 Ų1234.1 Ų34.16%0.06317%0.173CC..EExtended strand (participates in β ladder)trans-107.4135.6176.9-64.5-176.9000110.6I779 K793 V796 L800 V807 I808 L810 G832I779-L781 HydrophobicContact CG2-CD2 3.83Å; I779-L781 HydrophobicContact CG2-CG 4.12Å; L781-K793 HydrophobicContact CB-CD 4.33Å; L781-K793 HydrophobicContact CB-CG 4.23Å; L781-V796 HydrophobicContact CD1-CG1 4.19Å; L781-L800 HydrophobicContact CD1-CD1 4.38Å; L781-V807 HydrophobicContact CD1-CG1 3.59Å; L781-V807 HydrophobicContact CG-CG1 4.01Å; L781-I808 PolarHBondContact N-O 3.5Å; L781-L810 PolarHBondContact O-N 3.19Å; L781-G832 WeakPolarHBondContact CA-O 3.03Å
782A92.6Very high80.1Confident1 Ų130 Ų301%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-146.3139.7176.100000112L810 V814 I819 G832 L833 S834A782-L810 HydrophobicContact CB-CB 4.17Å; A782-L810 HydrophobicContact CB-CD1 4.33Å; A782-V814 HydrophobicContact CB-CB 4.1Å; A782-V814 HydrophobicContact CB-CG1 4.43Å; A782-V814 HydrophobicContact CB-CG2 4.11Å; A782-I819 HydrophobicContact CB-CD1 3.82Å; A782-I819 HydrophobicContact CB-CG1 3.75Å; A782-G832 PolarHBondContact N-O 3.32Å; A782-L833 WeakPolarHBondContact O-CA 3.34Å; A782-S834 PolarHBondContact O-N 2.89Å
783T89.6Confident81.8Confident0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-83.3124.2161-66.40000107.8D787 H789 K793 G811 V812 M813 V814 S834T783-D787 HydrophobicContact CG2-CB 3.62Å; T783-D787 WeakPolarHBondContact CG2-O 3.28Å; T783-H789 WeakPolarHBondContact CG2-O 3.29Å; T783-H789 PolarHBondContact OG1-O 3.02Å; T783-K793 VanDerWaalsContact OG1-CE 3.29Å; T783-K793 WeakPolarHBondContact OG1-CE 3.45Å; T783-G811 PolarHBondContact N-O 2.94Å; T783-V812 HydrophobicContact CG2-CB 4.34Å; T783-V812 HydrophobicContact CG2-CG1 4.26Å; T783-M813 PolarHBondContact O-N 3.47Å; T783-V814 PolarHBondContact O-N 3.08Å; T783-V814 VanDerWaalsContact O-N 3.09Å; T783-S834 WeakPolarHBondContact CA-O 3.42Å
784V89.3Confident82.9Confident1 Ų123.2 Ų23.21%0.00613%0.126CC..BIsolated β-bridgetrans-62.3163.5-170.6-63.70000112.8G786 D787 L833 S834 E843 M844V784-G786 PolarHBondContact O-N 2.84Å; V784-D787 PolarHBondContact O-N 3.2Å; V784-D787 VanDerWaalsContact O-N 3.14Å; V784-L833 HydrophobicContact CG1-CB 4.01Å; V784-L833 HydrophobicContact CG1-CD1 4.27Å; V784-L833 HydrophobicContact CG1-CD2 4.17Å; V784-L833 HydrophobicContact CG1-CG 4.38Å; V784-S834 PolarHBondContact N-O 2.95Å; V784-S834 VanDerWaalsContact N-O 3.14Å; V784-E843 HydrophobicContact CB-CB 3.99Å; V784-E843 HydrophobicContact CG2-CB 4.07Å; V784-M844 HydrophobicContact CG1-CE 4.44Å; V784-M844 HydrophobicContact CG1-CG 3.92Å; V784-M844 HydrophobicContact CG2-CE 4.47Å
785K84.2Confident83.8Confident70 Ų7021.8 Ų21.830%0.30412%0.116SC..THydrogen-bonded Turntrans-51135.7-175.9-167.1-170.8174.8-156.70111.8D787 V814 T815 E843 E1210K785-D787 PolarHBondContact O-N 3.12Å; K785-V814 WeakPolarHBondContact CA-O 3.44Å; K785-V814 PolarHBondContact N-O 2.98Å; K785-T815 HydrophobicContact CD-CG2 4.28Å; K785-T815 HydrophobicContact CG-CG2 4.42Å; K785-E843 HydrophobicContact CB-CG 4.36Å; K785-E1210 WeakPolarHBondContact CE-OE2 3.39Å; K785-E1210 IonicContact NZ-OE2 3.69Å; K785-E1210 PolarHBondContact NZ-OE2 3.39Å
786G75Confident84.5Confident5 Ų519.5 Ų19.55%0.05211%0.11CC..THydrogen-bonded Turntrans83.1-19.7178.200000114.7V784 T1209 S1211V784-G786 PolarHBondContact O-N 2.84Å; G786-T1209 WeakPolarHBondContact O-CB 3.5Å; G786-T1209 PolarHBondContact O-OG1 3.17Å; G786-S1211 WeakPolarHBondContact CA-OG 3.45Å; G786-S1211 PolarHBondContact O-OG 2.91Å
787D80.9Confident85Confident0 Ų015.4 Ų15.40%010%0.095CC..  trans-92140.2178.3-157-24.6000111.5T783 V784 K785 H789 M813 G835 L836 I837 S840T783-D787 HydrophobicContact CG2-CB 3.62Å; T783-D787 WeakPolarHBondContact CG2-O 3.28Å; V784-D787 PolarHBondContact O-N 3.2Å; V784-D787 VanDerWaalsContact O-N 3.14Å; K785-D787 PolarHBondContact O-N 3.12Å; D787-H789 IonicContact OD1-CE1 2.94Å; D787-H789 IonicContact OD1-CG 2.68Å; D787-H789 PolarHBondContact OD1-N 3.23Å; D787-H789 IonicContact OD1-ND1 2.81Å; D787-H789 PolarHBondContact OD1-ND1 2.78Å; D787-M813 VanDerWaalsContact O-CG 3.23Å; D787-M813 WeakPolarHBondContact O-CG 3.25Å; D787-M813 PolarHBondContact O-N 3.43Å; D787-G835 WeakPolarHBondContact OD2-CA 2.96Å; D787-L836 PolarHBondContact OD2-N 3.2Å; D787-I837 PolarHBondContact OD2-N 3.11Å; D787-S840 WeakPolarHBondContact CB-OG 3.46Å; D787-S840 PolarHBondContact OD2-OG 2.64Å
788V78.3Confident84.5Confident13 Ų1316.3 Ų16.38%0.07910%0.1CC..  trans-114.6-4.1-172.9-62.20000113.2M813 T1209 A1213 T1215 A1217V788-M813 HydrophobicContact CG1-CE 3.99Å; V788-M813 HydrophobicContact CG1-CG 3.77Å; V788-M813 HydrophobicContact CG1-SD 3.63Å; V788-T1209 HydrophobicContact CG1-CG2 3.64Å; V788-A1213 HydrophobicContact CG2-CB 3.99Å; V788-T1215 HydrophobicContact CG1-CG2 3.99Å; V788-A1217 HydrophobicContact CG2-CB 4.21Å
789H83.1Confident83.9Confident42 Ų4216.2 Ų16.219%0.19410%0.099CC..  trans-90.9129.4-173.1-52.590.5000110.7T783 D787 L836T783-H789 WeakPolarHBondContact CG2-O 3.29Å; T783-H789 PolarHBondContact OG1-O 3.02Å; D787-H789 IonicContact OD1-CE1 2.94Å; D787-H789 IonicContact OD1-CG 2.68Å; D787-H789 PolarHBondContact OD1-N 3.23Å; D787-H789 IonicContact OD1-ND1 2.81Å; D787-H789 PolarHBondContact OD1-ND1 2.78Å; H789-L836 HydrophobicContact CB-CB 3.82Å; H789-L836 HydrophobicContact CB-CD2 3.81Å; H789-L836 HydrophobicContact CB-CG 4.29Å; H789-L836 WeakPolarHBondContact CD2-CD2 3.47Å; H789-L836 WeakPolarHBondContact ND1-CD2 3.21Å
790D83Confident83.3Confident18 Ų1816.2 Ų16.210%0.09610%0.099CC..  trans-136.70.3-171.769.4-28000115.3G792 K793 N794 V812 K1132D790-G792 PolarHBondContact O-N 3.12Å; D790-K793 PolarHBondContact O-N 2.9Å; D790-N794 WeakPolarHBondContact O-CB 3.33Å; D790-N794 PolarHBondContact O-N 3.25Å; D790-N794 PolarHBondContact O-ND2 2.83Å; D790-N794 PolarHBondContact O-OD1 2.79Å; D790-N794 PolarHBondContact OD2-ND2 3.31Å; D790-V812 HydrophobicContact CB-CG1 3.57Å; D790-K1132 IonicContact OD1-NZ 2.75Å; D790-K1132 PolarHBondContact OD1-NZ 3.32Å; D790-K1132 IonicContact OD2-NZ 2.98Å; D790-K1132 PolarHBondContact OD2-NZ 3.02Å
791I80.1Confident82.3Confident27 Ų2718 Ų1814%0.13812%0.117CC..Hα-helixtrans-55.7-51.9-177.7-62177.6000111K793 N794 I795 V985 I1129 K1132 D1136I791-K793 PolarHBondContact O-N 2.66Å; I791-N794 PolarHBondContact O-N 2.91Å; I791-I795 HydrophobicContact CG2-CD1 4.14Å; I791-I795 WeakPolarHBondContact O-CG1 3.37Å; I791-I795 PolarHBondContact O-N 2.87Å; I791-I795 VanDerWaalsContact O-N 3.09Å; I791-V985 HydrophobicContact CG2-CG1 3.68Å; I791-I1129 HydrophobicContact CG2-CG2 4.37Å; I791-K1132 HydrophobicContact CD1-CB 3.98Å; I791-K1132 HydrophobicContact CG1-CB 4.04Å; I791-K1132 HydrophobicContact CG1-CD 4.41Å; I791-D1136 VanDerWaalsContact CD1-OD2 3.29Å; I791-D1136 WeakPolarHBondContact CD1-OD2 3.33Å
792G80.8Confident80.9Confident45 Ų4517.4 Ų17.446%0.46411%0.114SC..Hα-helixtrans-62.6-41.6178.400000113.1D790 N794 I795 V796D790-G792 PolarHBondContact O-N 3.12Å; G792-N794 PolarHBondContact O-N 3.45Å; G792-I795 PolarHBondContact O-N 2.86Å; G792-V796 WeakPolarHBondContact O-CG2 3.49Å; G792-V796 PolarHBondContact O-N 3.07Å
793K87.6Confident79.7Confident7 Ų718.5 Ų18.53%0.0312%0.12CC..Hα-helixtrans-59.8-44.9175.8178.2-176.856.960.50111.4L781 T783 D790 I791 I795 V796 G797 D809L781-K793 HydrophobicContact CB-CD 4.33Å; L781-K793 HydrophobicContact CB-CG 4.23Å; T783-K793 VanDerWaalsContact OG1-CE 3.29Å; T783-K793 WeakPolarHBondContact OG1-CE 3.45Å; D790-K793 PolarHBondContact O-N 2.9Å; I791-K793 PolarHBondContact O-N 2.66Å; K793-I795 VanDerWaalsContact C-N 3.31Å; K793-I795 PolarHBondContact O-N 2.61Å; K793-V796 PolarHBondContact O-N 3.01Å; K793-G797 PolarHBondContact O-N 3.23Å; K793-D809 WeakPolarHBondContact CE-OD1 3.45Å; K793-D809 IonicContact NZ-OD1 2.93Å; K793-D809 PolarHBondContact NZ-OD1 3.14Å; K793-D809 IonicContact NZ-OD2 3.98Å; K793-D809 PolarHBondContact NZ-OD2 3.19Å
794N80Confident78.9Confident14 Ų1419.1 Ų19.18%0.07512%0.123CC..Hα-helixtrans-66.1-37.8-178.8-63-6.2000110.7D790 I791 G792 G797 V798 D809D790-N794 WeakPolarHBondContact O-CB 3.33Å; D790-N794 PolarHBondContact O-N 3.25Å; D790-N794 PolarHBondContact O-ND2 2.83Å; D790-N794 PolarHBondContact O-OD1 2.79Å; D790-N794 PolarHBondContact OD2-ND2 3.31Å; I791-N794 PolarHBondContact O-N 2.91Å; G792-N794 PolarHBondContact O-N 3.45Å; N794-G797 PolarHBondContact O-N 2.89Å; N794-V798 VanDerWaalsContact O-CG2 3.31Å; N794-V798 WeakPolarHBondContact O-CG2 3.38Å; N794-V798 PolarHBondContact O-N 2.91Å; N794-D809 PolarHBondContact OD1-OD2 2.82Å
795I79.1Confident78.4Confident10 Ų1019.3 Ų19.35%0.05112%0.124CC..Hα-helixtrans-60.9-49.2172.5-67.6166.6000110.8L734 I791 G792 K793 G797 V798 V799 A890 V985 I1129L734-I795 HydrophobicContact CD1-CG2 3.83Å; L734-I795 HydrophobicContact CD2-CD1 4.04Å; L734-I795 HydrophobicContact CD2-CG1 4.14Å; L734-I795 HydrophobicContact CD2-CG2 3.55Å; L734-I795 HydrophobicContact CG-CG2 4.34Å; I791-I795 HydrophobicContact CG2-CD1 4.14Å; I791-I795 WeakPolarHBondContact O-CG1 3.37Å; I791-I795 PolarHBondContact O-N 2.87Å; I791-I795 VanDerWaalsContact O-N 3.09Å; G792-I795 PolarHBondContact O-N 2.86Å; K793-I795 VanDerWaalsContact C-N 3.31Å; K793-I795 PolarHBondContact O-N 2.61Å; I795-G797 VanDerWaalsContact C-N 3.32Å; I795-G797 PolarHBondContact O-N 2.85Å; I795-V798 PolarHBondContact O-N 3.11Å; I795-V799 HydrophobicContact CG2-CG2 4.42Å; I795-V799 VanDerWaalsContact O-CG2 3.31Å; I795-V799 WeakPolarHBondContact O-CG2 3.48Å; I795-V799 PolarHBondContact O-N 3.25Å; I795-A890 HydrophobicContact CG2-CB 3.74Å; I795-V985 HydrophobicContact CD1-CG1 4.29Å; I795-V985 WeakPolarHBondContact CD1-O 3.21Å; I795-I1129 HydrophobicContact CG1-CD1 3.99Å
796V83.9Confident78.4Confident33 Ų3320.1 Ų20.120%0.213%0.125CC..Hα-helixtrans-58.9-44.7176.8172.30000110.9L781 G792 K793 V798 V799 L800 A890L781-V796 HydrophobicContact CD1-CG1 4.19Å; G792-V796 WeakPolarHBondContact O-CG2 3.49Å; G792-V796 PolarHBondContact O-N 3.07Å; K793-V796 PolarHBondContact O-N 3.01Å; V796-V798 PolarHBondContact O-N 3.24Å; V796-V799 PolarHBondContact O-N 3.05Å; V796-L800 HydrophobicContact CG1-CD1 3.57Å; V796-L800 HydrophobicContact CG1-CG 4.22Å; V796-L800 WeakPolarHBondContact O-CB 3.42Å; V796-L800 WeakPolarHBondContact O-CG 3.36Å; V796-L800 PolarHBondContact O-N 2.78Å; V796-A890 HydrophobicContact CB-CB 4.38Å; V796-A890 HydrophobicContact CG2-CB 3.67Å
797G82.4Confident78.9Confident15 Ų1522 Ų2216%0.15514%0.135CC..Hα-helixtrans-61.9-41.4178.300000113.1K793 N794 I795 G801K793-G797 PolarHBondContact O-N 3.23Å; N794-G797 PolarHBondContact O-N 2.89Å; I795-G797 VanDerWaalsContact C-N 3.32Å; I795-G797 PolarHBondContact O-N 2.85Å; G797-G801 PolarHBondContact O-N 2.82Å
798V73.8Confident79.3Confident24 Ų2423.2 Ų23.215%0.14514%0.142CC..Hα-helixtrans-65-46.3174.4173.60000110.8I738 A741 N794 I795 V796 L800 G801 C802 D1125I738-V798 HydrophobicContact CG1-CG1 4.05Å; A741-V798 HydrophobicContact CB-CG1 4.38Å; N794-V798 VanDerWaalsContact O-CG2 3.31Å; N794-V798 WeakPolarHBondContact O-CG2 3.38Å; N794-V798 PolarHBondContact O-N 2.91Å; I795-V798 PolarHBondContact O-N 3.11Å; V796-V798 PolarHBondContact O-N 3.24Å; V798-L800 PolarHBondContact O-N 3.33Å; V798-G801 CarbonylContact O-C 3.56Å; V798-G801 PolarHBondContact O-N 3.07Å; V798-C802 PolarHBondContact O-N 3.24Å; V798-C802 PolarHBondContact O-SG 2.56Å; V798-D1125 HydrophobicContact CG2-CB 4.08Å
799V76Confident79.7Confident1 Ų126.1 Ų26.11%0.00616%0.157CC..Hα-helixtrans-65.4-38.9-178.9174.20000112.1L734 I795 V796 C802 N803 A890 V894L734-V799 HydrophobicContact CD1-CG2 3.74Å; I795-V799 HydrophobicContact CG2-CG2 4.42Å; I795-V799 VanDerWaalsContact O-CG2 3.31Å; I795-V799 WeakPolarHBondContact O-CG2 3.48Å; I795-V799 PolarHBondContact O-N 3.25Å; V796-V799 PolarHBondContact O-N 3.05Å; V799-C802 VanDerWaalsContact O-CB 3.28Å; V799-C802 WeakPolarHBondContact O-CB 3.3Å; V799-C802 PolarHBondContact O-N 3.13Å; V799-N803 PolarHBondContact O-N 2.75Å; V799-N803 PolarHBondContact O-ND2 3.4Å; V799-A890 HydrophobicContact CB-CB 4.36Å; V799-A890 WeakPolarHBondContact CG1-O 3.39Å; V799-A890 HydrophobicContact CG2-CB 4.13Å; V799-V894 HydrophobicContact CG1-CG2 3.61Å
800L79.7Confident79.9Confident2 Ų224.8 Ų24.81%0.0115%0.151CC..Hα-helixtrans-67.1-42.6173.3-71.4168000111I779 L781 V796 V798 C802 N803 F805 V807 V894 C897I779-L800 HydrophobicContact CD1-CB 4.38Å; I779-L800 HydrophobicContact CD1-CD1 3.73Å; I779-L800 HydrophobicContact CD1-CD2 3.82Å; I779-L800 HydrophobicContact CD1-CG 4.18Å; I779-L800 HydrophobicContact CG2-CD1 4.35Å; L781-L800 HydrophobicContact CD1-CD1 4.38Å; V796-L800 HydrophobicContact CG1-CD1 3.57Å; V796-L800 HydrophobicContact CG1-CG 4.22Å; V796-L800 WeakPolarHBondContact O-CB 3.42Å; V796-L800 WeakPolarHBondContact O-CG 3.36Å; V796-L800 PolarHBondContact O-N 2.78Å; V798-L800 PolarHBondContact O-N 3.33Å; L800-C802 PolarHBondContact O-N 3.22Å; L800-N803 CarbonylContact O-C 3.58Å; L800-N803 PolarHBondContact O-N 3.41Å; L800-F805 HydrophobicContact CB-CB 4.23Å; L800-F805 HydrophobicContact CB-CD2 4.39Å; L800-F805 HydrophobicContact CD2-CD2 3.99Å; L800-F805 HydrophobicContact CD2-CE2 4.34Å; L800-F805 HydrophobicContact CD2-CG 4.5Å; L800-F805 WeakPolarHBondContact O-CB 3.4Å; L800-F805 WeakPolarHBondContact O-CD2 3.44Å; L800-F805 PolarHBondContact O-N 3.33Å; L800-V807 HydrophobicContact CB-CG2 3.6Å; L800-V894 HydrophobicContact CD2-CG2 4.41Å; L800-C897 HydrophobicContact CD2-CB 4.32Å
801G74.1Confident80Confident37 Ų3725 Ų2538%0.38116%0.157SC..Hα-helixtrans-60.7-30.6173.300000113.6G797 V798 N803 N804G797-G801 PolarHBondContact O-N 2.82Å; V798-G801 CarbonylContact O-C 3.56Å; V798-G801 PolarHBondContact O-N 3.07Å; G801-N803 PolarHBondContact O-N 2.93Å; G801-N804 PolarHBondContact O-N 3.04Å
802C65.2Low80.3Confident1 Ų126 Ų261%0.00717%0.165CC..Hα-helixtrans-63.1-28.5172.1-66.30000112.8M720 A741 V798 V799 L800M720-C802 HydrophobicContact CE-CB 3.55Å; M720-C802 WeakPolarHBondContact CE-O 3.24Å; A741-C802 WeakPolarHBondContact CB-SG 3.47Å; V798-C802 PolarHBondContact O-N 3.24Å; V798-C802 PolarHBondContact O-SG 2.56Å; V799-C802 VanDerWaalsContact O-CB 3.28Å; V799-C802 WeakPolarHBondContact O-CB 3.3Å; V799-C802 PolarHBondContact O-N 3.13Å; L800-C802 PolarHBondContact O-N 3.22Å
803N67.9Low80.2Confident23 Ų2328.1 Ų28.112%0.12316%0.164CC..THydrogen-bonded Turntrans-103.328.8-175.1-69.4-87000111.9Q776 V799 L800 G801 F805 V894Q776-N803 PolarHBondContact OE1-O 3.2Å; V799-N803 PolarHBondContact O-N 2.75Å; V799-N803 PolarHBondContact O-ND2 3.4Å; L800-N803 CarbonylContact O-C 3.58Å; L800-N803 PolarHBondContact O-N 3.41Å; G801-N803 PolarHBondContact O-N 2.93Å; N803-F805 VanDerWaalsContact C-N 3.29Å; N803-F805 HydrophobicContact CB-CD2 4.05Å; N803-F805 HydrophobicContact CB-CE2 4.09Å; N803-F805 PolarHBondContact O-N 3.39Å; N803-V894 HydrophobicContact CB-CG1 3.73Å; N803-V894 HydrophobicContact CB-CG2 4.38Å; N803-V894 VanDerWaalsContact CG-CG1 3.45Å; N803-V894 WeakPolarHBondContact ND2-CG2 3.43Å
804N72.6Confident80.2Confident14 Ų1428 Ų288%0.07516%0.163CC..THydrogen-bonded Turntrans61.629.9176.2-159.447.2000115M717 P774 Y775 Q776 G801M717-N804 HydrophobicContact CE-CB 4.02Å; M717-N804 HydrophobicContact SD-CB 3.5Å; M717-N804 WeakPolarHBondContact SD-CB 3.46Å; P774-N804 PolarHBondContact O-ND2 3.46Å; Y775-N804 CarbonylContact C-O 3.53Å; Y775-N804 WeakPolarHBondContact CA-O 3.37Å; Y775-N804 WeakPolarHBondContact CB-O 3.18Å; Q776-N804 HydrophobicContact CG-CB 4.39Å; Q776-N804 PolarHBondContact N-O 2.88Å; G801-N804 PolarHBondContact O-N 3.04Å
805F79.4Confident80.5Confident5 Ų530 Ų302%0.02218%0.177CC..  trans-89.8142.7166.2-67.9-78000111.4Q776 I779 L800 N803 V807 V894 C897 L901Q776-F805 HydrophobicContact CB-CD1 4.27Å; Q776-F805 HydrophobicContact CB-CE1 3.95Å; Q776-F805 HydrophobicContact CB-CZ 4.34Å; I779-F805 HydrophobicContact CD1-CB 3.87Å; I779-F805 HydrophobicContact CD1-CD1 3.7Å; I779-F805 HydrophobicContact CD1-CD2 4.46Å; I779-F805 HydrophobicContact CD1-CE1 4.41Å; I779-F805 HydrophobicContact CD1-CG 3.74Å; I779-F805 HydrophobicContact CG1-CB 4.35Å; I779-F805 HydrophobicContact CG1-CD1 4.2Å; I779-F805 HydrophobicContact CG1-CG 4.49Å; L800-F805 HydrophobicContact CB-CB 4.23Å; L800-F805 HydrophobicContact CB-CD2 4.39Å; L800-F805 HydrophobicContact CD2-CD2 3.99Å; L800-F805 HydrophobicContact CD2-CE2 4.34Å; L800-F805 HydrophobicContact CD2-CG 4.5Å; L800-F805 WeakPolarHBondContact O-CB 3.4Å; L800-F805 WeakPolarHBondContact O-CD2 3.44Å; L800-F805 PolarHBondContact O-N 3.33Å; N803-F805 VanDerWaalsContact C-N 3.29Å; N803-F805 HydrophobicContact CB-CD2 4.05Å; N803-F805 HydrophobicContact CB-CE2 4.09Å; N803-F805 PolarHBondContact O-N 3.39Å; F805-V807 HydrophobicContact CB-CG2 4.42Å; F805-V807 PolarHBondContact O-N 3.34Å; F805-V894 HydrophobicContact CE2-CG1 4.46Å; F805-C897 HydrophobicContact CE1-CB 4.25Å; F805-C897 HydrophobicContact CE2-CB 4.44Å; F805-C897 HydrophobicContact CZ-CB 3.96Å; F805-L901 HydrophobicContact CD1-CD1 4.33Å; F805-L901 HydrophobicContact CE1-CD1 3.53Å; F805-L901 HydrophobicContact CZ-CD1 4.4Å
806R83.4Confident80.9Confident87 Ų8730.1 Ų30.133%0.32818%0.178SC..EExtended strand (participates in β ladder)trans-82.5101.7170.1-175.7175.7171-159-10.6109.3Y775 G777 T778 I779 Q826Y775-R806 HydrophobicContact CD1-CB 4.1Å; Y775-R806 HydrophobicContact CD2-CB 3.67Å; Y775-R806 HydrophobicContact CD2-CG 4.14Å; Y775-R806 HydrophobicContact CE2-CB 4.2Å; Y775-R806 HydrophobicContact CE2-CG 4.27Å; Y775-R806 HydrophobicContact CG-CB 3.62Å; G777-R806 PolarHBondContact O-N 2.88Å; T778-R806 WeakPolarHBondContact CA-O 3.23Å; T778-R806 HydrophobicContact CG2-CB 4.47Å; T778-R806 HydrophobicContact CG2-CG 4.44Å; I779-R806 PolarHBondContact N-O 3.02Å; R806-Q826 VanDerWaalsContact NH2-OE1 3.09Å
807V85.9Confident81Confident43 Ų4333.1 Ų33.126%0.26119%0.193SC..EExtended strand (participates in β ladder)trans-93.8123.1-179.4-176.70000111L781 L800 F805L781-V807 HydrophobicContact CD1-CG1 3.59Å; L781-V807 HydrophobicContact CG-CG1 4.01Å; L800-V807 HydrophobicContact CB-CG2 3.6Å; F805-V807 HydrophobicContact CB-CG2 4.42Å; F805-V807 PolarHBondContact O-N 3.34Å
808I88.6Confident81.3Confident27 Ų2737.4 Ų37.414%0.13820%0.204CC..EExtended strand (participates in β ladder)trans-111.2101.5175.8-56.5178.6000108.1T778 I779 V780 L781 L810 Q826T778-I808 HydrophobicContact CG2-CD1 3.81Å; T778-I808 HydrophobicContact CG2-CG1 4.4Å; I779-I808 PolarHBondContact O-N 3.06Å; V780-I808 WeakPolarHBondContact CA-O 3.43Å; V780-I808 HydrophobicContact CG2-CB 4.16Å; L781-I808 PolarHBondContact N-O 3.5Å; I808-L810 HydrophobicContact CG2-CD2 4.08Å; I808-Q826 HydrophobicContact CD1-CB 3.4Å; I808-Q826 VanDerWaalsContact CD1-CB 3.4Å; I808-Q826 HydrophobicContact CD1-CG 3.43Å; I808-Q826 VanDerWaalsContact CD1-CG 3.43Å
809D87.8Confident82.2Confident74 Ų7436.3 Ų36.340%0.39620%0.198SC..EExtended strand (participates in β ladder)trans-89.4113.6178.5-174.50.7000110.9K793 N794 G811K793-D809 WeakPolarHBondContact CE-OD1 3.45Å; K793-D809 IonicContact NZ-OD1 2.93Å; K793-D809 PolarHBondContact NZ-OD1 3.14Å; K793-D809 IonicContact NZ-OD2 3.98Å; K793-D809 PolarHBondContact NZ-OD2 3.19Å; N794-D809 PolarHBondContact OD1-OD2 2.82Å; D809-G811 PolarHBondContact O-N 3.31Å; D809-G811 WeakPolarHBondContact OD1-CA 3.36Å; D809-G811 PolarHBondContact OD1-N 3.46Å
810L87.6Confident82.9Confident14 Ų1436.7 Ų36.77%0.07320%0.2CC..  trans-80.6-7.3179.8-59.2-175.6000113.4V780 L781 A782 I808 V814 R818 I819 E822V780-L810 HydrophobicContact CG1-CD1 3.64Å; V780-L810 HydrophobicContact CG1-CG 3.97Å; L781-L810 PolarHBondContact O-N 3.19Å; A782-L810 HydrophobicContact CB-CB 4.17Å; A782-L810 HydrophobicContact CB-CD1 4.33Å; I808-L810 HydrophobicContact CG2-CD2 4.08Å; L810-V814 HydrophobicContact CB-CG1 3.95Å; L810-V814 HydrophobicContact CB-CG2 3.88Å; L810-V814 HydrophobicContact CD1-CG1 4.06Å; L810-V814 WeakPolarHBondContact O-CG2 3.35Å; L810-R818 PolarHBondContact O-NH1 3.25Å; L810-R818 PolarHBondContact O-NH2 2.79Å; L810-I819 HydrophobicContact CD1-CB 4.49Å; L810-I819 HydrophobicContact CD1-CG1 4.25Å; L810-E822 HydrophobicContact CD1-CB 3.94Å; L810-E822 HydrophobicContact CD1-CG 4.23Å; L810-E822 HydrophobicContact CD2-CB 3.91Å; L810-E822 HydrophobicContact CD2-CG 3.82Å
811G84.1Confident83.4Confident22 Ų2243 Ų4323%0.22722%0.223CC..  trans88.5-146.2-178.900000113T783 D809 V814T783-G811 PolarHBondContact N-O 2.94Å; D809-G811 PolarHBondContact O-N 3.31Å; D809-G811 WeakPolarHBondContact OD1-CA 3.36Å; D809-G811 PolarHBondContact OD1-N 3.46Å; G811-V814 WeakPolarHBondContact O-CG2 3.18Å
812V85.4Confident84.2Confident48 Ų4843.6 Ų43.629%0.29122%0.216SC..SBendtrans-112.8161.9-176.4-56.60000112.7T783 D790 V814T783-V812 HydrophobicContact CG2-CB 4.34Å; T783-V812 HydrophobicContact CG2-CG1 4.26Å; D790-V812 HydrophobicContact CB-CG1 3.57Å; V812-V814 PolarHBondContact O-N 3.24Å
813M80.4Confident85.3Confident90 Ų9043.7 Ų43.744%0.44322%0.217SC..SBendtrans54.636.6-176.6-57.4-179-80.300113.2T783 D787 V788 T1209T783-M813 PolarHBondContact O-N 3.47Å; D787-M813 VanDerWaalsContact O-CG 3.23Å; D787-M813 WeakPolarHBondContact O-CG 3.25Å; D787-M813 PolarHBondContact O-N 3.43Å; V788-M813 HydrophobicContact CG1-CE 3.99Å; V788-M813 HydrophobicContact CG1-CG 3.77Å; V788-M813 HydrophobicContact CG1-SD 3.63Å; M813-T1209 HydrophobicContact SD-CG2 3.81Å
814V86.9Confident86.3Confident3 Ų347.4 Ų47.42%0.01824%0.24CC..BIsolated β-bridgetrans-82.1128.7-173.9-166.30000110A782 T783 K785 L810 G811 V812 R818 I819A782-V814 HydrophobicContact CB-CB 4.1Å; A782-V814 HydrophobicContact CB-CG1 4.43Å; A782-V814 HydrophobicContact CB-CG2 4.11Å; T783-V814 PolarHBondContact O-N 3.08Å; T783-V814 VanDerWaalsContact O-N 3.09Å; K785-V814 WeakPolarHBondContact CA-O 3.44Å; K785-V814 PolarHBondContact N-O 2.98Å; L810-V814 HydrophobicContact CB-CG1 3.95Å; L810-V814 HydrophobicContact CB-CG2 3.88Å; L810-V814 HydrophobicContact CD1-CG1 4.06Å; L810-V814 WeakPolarHBondContact O-CG2 3.35Å; G811-V814 WeakPolarHBondContact O-CG2 3.18Å; V812-V814 PolarHBondContact O-N 3.24Å; V814-R818 HydrophobicContact CG1-CB 4.06Å; V814-R818 HydrophobicContact CG1-CG 4.02Å; V814-I819 HydrophobicContact CB-CD1 4.3Å; V814-I819 HydrophobicContact CB-CG1 4.08Å; V814-I819 HydrophobicContact CG1-CD1 4.35Å; V814-I819 HydrophobicContact CG1-CG1 3.6Å
815T85.6Confident87.1Confident58 Ų5851 Ų5136%0.35626%0.263SS..  trans-71.5147.5177.856.90000111.6K785 D817 R818 I819K785-T815 HydrophobicContact CD-CG2 4.28Å; K785-T815 HydrophobicContact CG-CG2 4.42Å; T815-D817 VanDerWaalsContact C-N 3.3Å; T815-D817 PolarHBondContact O-N 3.08Å; T815-R818 PolarHBondContact O-N 3.41Å; T815-R818 WeakPolarHBondContact OG1-CB 3.26Å; T815-R818 PolarHBondContact OG1-N 3.4Å; T815-I819 WeakPolarHBondContact O-CG1 3.32Å; T815-I819 PolarHBondContact O-N 2.9Å
816C88.6Confident87.4Confident11 Ų1153.4 Ų53.47%0.07427%0.274CS..Hα-helixtrans-50.2-48.6175.6173.80000112.1R818 I819 L820 Y846 V847C816-R818 VanDerWaalsContact C-N 3.31Å; C816-R818 PolarHBondContact O-N 3.33Å; C816-I819 WeakPolarHBondContact O-CB 3.43Å; C816-I819 PolarHBondContact O-N 3.45Å; C816-I819 VanDerWaalsContact O-N 3.08Å; C816-L820 WeakPolarHBondContact O-CG 3.35Å; C816-L820 PolarHBondContact O-N 3.1Å; C816-Y846 HydrophobicContact CB-CD1 3.93Å; C816-Y846 HydrophobicContact CB-CE1 3.82Å; C816-V847 HydrophobicContact CB-CG2 3.85Å
817D86.2Confident87.6Confident96 Ų9656 Ų5651%0.51329%0.288SS..Hα-helixtrans-55.3-41.7177.2168.371.1000113.1T815 R821T815-D817 VanDerWaalsContact C-N 3.3Å; T815-D817 PolarHBondContact O-N 3.08Å; D817-R821 WeakPolarHBondContact O-CB 3.31Å; D817-R821 PolarHBondContact O-N 3.15Å; D817-R821 IonicContact OD1-CZ 3.82Å; D817-R821 IonicContact OD1-NH2 2.9Å; D817-R821 PolarHBondContact OD1-NH2 2.59Å; D817-R821 IonicContact OD2-CZ 3.13Å; D817-R821 IonicContact OD2-NH1 2.88Å; D817-R821 IonicContact OD2-NH2 3.58Å; D817-R821 PolarHBondContact OD2-NH2 3.17Å
818R88.2Confident87.8Confident106 Ų10654.3 Ų54.340%0.428%0.279SS..Hα-helixtrans-69.4-41.4176.4-177.7174.3172.7-134.8-6.2111.5L810 V814 T815 C816 E822L810-R818 PolarHBondContact O-NH1 3.25Å; L810-R818 PolarHBondContact O-NH2 2.79Å; V814-R818 HydrophobicContact CG1-CB 4.06Å; V814-R818 HydrophobicContact CG1-CG 4.02Å; T815-R818 PolarHBondContact O-N 3.41Å; T815-R818 WeakPolarHBondContact OG1-CB 3.26Å; T815-R818 PolarHBondContact OG1-N 3.4Å; C816-R818 VanDerWaalsContact C-N 3.31Å; C816-R818 PolarHBondContact O-N 3.33Å; R818-E822 HydrophobicContact CG-CG 4.19Å; R818-E822 WeakPolarHBondContact O-CB 3.46Å; R818-E822 VanDerWaalsContact O-CG 3.27Å; R818-E822 WeakPolarHBondContact O-CG 3.37Å; R818-E822 PolarHBondContact O-N 2.92Å
819I91.8Very high88Confident1 Ų156.4 Ų56.41%0.00529%0.29CS..Hα-helixtrans-58.1-52.2177.6-63.8168.7000110.1A782 L810 V814 T815 C816 E822 A823 I831 L833 V847A782-I819 HydrophobicContact CB-CD1 3.82Å; A782-I819 HydrophobicContact CB-CG1 3.75Å; L810-I819 HydrophobicContact CD1-CB 4.49Å; L810-I819 HydrophobicContact CD1-CG1 4.25Å; V814-I819 HydrophobicContact CB-CD1 4.3Å; V814-I819 HydrophobicContact CB-CG1 4.08Å; V814-I819 HydrophobicContact CG1-CD1 4.35Å; V814-I819 HydrophobicContact CG1-CG1 3.6Å; T815-I819 WeakPolarHBondContact O-CG1 3.32Å; T815-I819 PolarHBondContact O-N 2.9Å; C816-I819 WeakPolarHBondContact O-CB 3.43Å; C816-I819 PolarHBondContact O-N 3.45Å; C816-I819 VanDerWaalsContact O-N 3.08Å; I819-E822 PolarHBondContact O-N 3.17Å; I819-A823 WeakPolarHBondContact O-CB 3.21Å; I819-A823 PolarHBondContact O-N 2.97Å; I819-I831 HydrophobicContact CG2-CG2 3.99Å; I819-L833 HydrophobicContact CD1-CD2 3.96Å; I819-L833 HydrophobicContact CG2-CD2 4.21Å; I819-V847 HydrophobicContact CD1-CG2 4.48Å
820L92.3Very high88.3Confident9 Ų952.9 Ų52.95%0.04727%0.271CS..Hα-helixtrans-69.5-39.5-176.5-57.2-173.5000111.7C816 A823 V824 I831 V847 E850 M851 L854 M856C816-L820 WeakPolarHBondContact O-CG 3.35Å; C816-L820 PolarHBondContact O-N 3.1Å; L820-A823 PolarHBondContact O-N 3.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 3.15Å; L820-I831 HydrophobicContact CD2-CD1 4.4Å; L820-V847 HydrophobicContact CD2-CG1 4.14Å; L820-E850 HydrophobicContact CD1-CB 3.76Å; L820-M851 HydrophobicContact CD1-CG 4.34Å; L820-M851 HydrophobicContact CD2-CG 3.44Å; L820-M851 VanDerWaalsContact CD2-CG 3.44Å; L820-M851 HydrophobicContact CD2-SD 4.12Å; L820-L854 HydrophobicContact CB-CD1 4.49Å; L820-L854 HydrophobicContact CD1-CD1 3.79Å; L820-M856 HydrophobicContact CB-SD 4.48Å; L820-M856 HydrophobicContact CD2-SD 3.94Å
821R89.9Confident88.8Confident133 Ų13352.2 Ų52.250%0.50227%0.268SS..Hα-helixtrans-62.2-46.5175.5-176-174.9-58.71468.2112D817 V824 T825D817-R821 WeakPolarHBondContact O-CB 3.31Å; D817-R821 PolarHBondContact O-N 3.15Å; D817-R821 IonicContact OD1-CZ 3.82Å; D817-R821 IonicContact OD1-NH2 2.9Å; D817-R821 PolarHBondContact OD1-NH2 2.59Å; D817-R821 IonicContact OD2-CZ 3.13Å; D817-R821 IonicContact OD2-NH1 2.88Å; D817-R821 IonicContact OD2-NH2 3.58Å; D817-R821 PolarHBondContact OD2-NH2 3.17Å; R821-V824 PolarHBondContact O-N 2.65Å; R821-T825 VanDerWaalsContact O-CB 3.31Å; R821-T825 WeakPolarHBondContact O-CB 3.24Å; R821-T825 PolarHBondContact O-N 2.89Å; R821-T825 PolarHBondContact O-OG1 3.36Å
822E89.5Confident89.3Confident50 Ų5051.4 Ų51.423%0.23426%0.26CS..Hα-helixtrans-68.4-36.8178.8-69.6-64.1158.600111.1L810 R818 I819 V824 T825 Q826L810-E822 HydrophobicContact CD1-CB 3.94Å; L810-E822 HydrophobicContact CD1-CG 4.23Å; L810-E822 HydrophobicContact CD2-CB 3.91Å; L810-E822 HydrophobicContact CD2-CG 3.82Å; R818-E822 HydrophobicContact CG-CG 4.19Å; R818-E822 WeakPolarHBondContact O-CB 3.46Å; R818-E822 VanDerWaalsContact O-CG 3.27Å; R818-E822 WeakPolarHBondContact O-CG 3.37Å; R818-E822 PolarHBondContact O-N 2.92Å; I819-E822 PolarHBondContact O-N 3.17Å; E822-V824 VanDerWaalsContact C-N 3.32Å; E822-V824 PolarHBondContact O-N 3.39Å; E822-T825 PolarHBondContact O-N 3.49Å; E822-Q826 VanDerWaalsContact O-CB 3.23Å; E822-Q826 WeakPolarHBondContact O-CB 3.23Å; E822-Q826 WeakPolarHBondContact O-CG 3.22Å; E822-Q826 PolarHBondContact O-N 3.39Å; E822-Q826 PolarHBondContact OE2-NE2 2.96Å
823A90.3Very high89.7Confident3 Ų349.4 Ų49.43%0.02525%0.247CC..Hα-helixtrans-58-43.917300000112.3I819 L820 K827 A828 I831 M856I819-A823 WeakPolarHBondContact O-CB 3.21Å; I819-A823 PolarHBondContact O-N 2.97Å; L820-A823 PolarHBondContact O-N 3.17Å; A823-K827 PolarHBondContact O-N 2.55Å; A823-A828 HydrophobicContact CB-CB 4.08Å; A823-A828 PolarHBondContact O-N 3.31Å; A823-I831 HydrophobicContact CB-CD1 3.57Å; A823-I831 HydrophobicContact CB-CG1 3.84Å; A823-M856 HydrophobicContact CB-CE 4.31Å
824V88.6Confident90.3Very high101 Ų10146 Ų4661%0.61223%0.233SC*.Hα-helixtrans-69.6-44.7175.4174.80000111.6L820 R821 E822 Q826 K827 M856L820-V824 WeakPolarHBondContact O-CG2 3.47Å; L820-V824 PolarHBondContact O-N 3.15Å; R821-V824 PolarHBondContact O-N 2.65Å; E822-V824 VanDerWaalsContact C-N 3.32Å; E822-V824 PolarHBondContact O-N 3.39Å; V824-Q826 VanDerWaalsContact C-N 3.32Å; V824-Q826 PolarHBondContact O-N 3.46Å; V824-K827 PolarHBondContact O-N 3.37Å; V824-M856 HydrophobicContact CG2-CE 4.28Å
825T88.4Confident90.2Very high91 Ų9145.9 Ų45.956%0.55823%0.232SC*.Hα-helixtrans-63.9-39.5-176.6-57.30000111.8R821 E822 K827R821-T825 VanDerWaalsContact O-CB 3.31Å; R821-T825 WeakPolarHBondContact O-CB 3.24Å; R821-T825 PolarHBondContact O-N 2.89Å; R821-T825 PolarHBondContact O-OG1 3.36Å; E822-T825 PolarHBondContact O-N 3.49Å; T825-K827 VanDerWaalsContact C-N 3.32Å
826Q86.2Confident90Very high55 Ų5546.5 Ų46.526%0.25723%0.232SC..THydrogen-bonded Turntrans-89.41.8-178.4-57.5-66.8-22.800112.9R806 I808 E822 V824 A828R806-Q826 VanDerWaalsContact NH2-OE1 3.09Å; I808-Q826 HydrophobicContact CD1-CB 3.4Å; I808-Q826 VanDerWaalsContact CD1-CB 3.4Å; I808-Q826 HydrophobicContact CD1-CG 3.43Å; I808-Q826 VanDerWaalsContact CD1-CG 3.43Å; E822-Q826 VanDerWaalsContact O-CB 3.23Å; E822-Q826 WeakPolarHBondContact O-CB 3.23Å; E822-Q826 WeakPolarHBondContact O-CG 3.22Å; E822-Q826 PolarHBondContact O-N 3.39Å; E822-Q826 PolarHBondContact OE2-NE2 2.96Å; V824-Q826 VanDerWaalsContact C-N 3.32Å; V824-Q826 PolarHBondContact O-N 3.46Å; Q826-A828 PolarHBondContact O-N 3.47Å
827K87.8Confident89.5Confident140 Ų14046.7 Ų46.761%0.60923%0.233SC*.THydrogen-bonded Turntrans49.953.5-173.4-56.6179.1-176.31750111.5E771 A823 V824 T825 D829E771-K827 IonicContact OE2-NZ 3.04Å; E771-K827 PolarHBondContact OE2-NZ 3.19Å; A823-K827 PolarHBondContact O-N 2.55Å; V824-K827 PolarHBondContact O-N 3.37Å; T825-K827 VanDerWaalsContact C-N 3.32Å; K827-D829 PolarHBondContact O-N 3.37Å
828A90.6Very high88.9Confident9 Ų943.6 Ų43.67%0.07422%0.217CC..  trans-68.3130.2-177.800000111.5V780 A823 Q826 T858V780-A828 HydrophobicContact CB-CB 4.19Å; V780-A828 HydrophobicContact CG2-CB 3.63Å; A823-A828 HydrophobicContact CB-CB 4.08Å; A823-A828 PolarHBondContact O-N 3.31Å; Q826-A828 PolarHBondContact O-N 3.47Å; A828-T858 WeakPolarHBondContact O-CG2 3.4Å
829D92.3Very high88.3Confident70 Ų7039.2 Ų39.237%0.37420%0.202SC..SBendtrans-82.7-22.2174-52.9-66.6000111.6G777 T778 K827 T858 P859 L901G777-D829 WeakPolarHBondContact CA-OD2 3.42Å; T778-D829 PolarHBondContact N-OD2 2.94Å; T778-D829 PolarHBondContact O-N 2.94Å; K827-D829 PolarHBondContact O-N 3.37Å; D829-T858 VanDerWaalsContact C-CG2 3.46Å; D829-T858 VanDerWaalsContact O-CG2 3.3Å; D829-T858 WeakPolarHBondContact O-CG2 3.33Å; D829-P859 WeakPolarHBondContact O-CD 3.44Å; D829-L901 HydrophobicContact CB-CD2 3.48Å; D829-L901 VanDerWaalsContact CB-CD2 3.48Å
830V94.6Very high87.9Confident0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-144.8139.5179.8179.40000111T778 I779 V780 L861 L901T778-V830 PolarHBondContact O-N 3.16Å; I779-V830 WeakPolarHBondContact CA-O 3.41Å; I779-V830 HydrophobicContact CG1-CB 4.18Å; I779-V830 HydrophobicContact CG2-CB 4.31Å; I779-V830 HydrophobicContact CG2-CG1 4.31Å; V780-V830 PolarHBondContact N-O 2.98Å; V830-L861 HydrophobicContact CG1-CD1 3.11Å; V830-L861 HydrophobicContact CG1-CG 4.42Å; V830-L901 HydrophobicContact CG2-CD1 4.45Å; V830-L901 HydrophobicContact CG2-CD2 4.17Å; V830-L901 HydrophobicContact CG2-CG 4.38Å
831I96.4Very high87.5Confident0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-111.6127.2172.5-63.1167.1000109.4I819 L820 A823 L833 M851 M856 T858 P859 L860 L861I819-I831 HydrophobicContact CG2-CG2 3.99Å; L820-I831 HydrophobicContact CD2-CD1 4.4Å; A823-I831 HydrophobicContact CB-CD1 3.57Å; A823-I831 HydrophobicContact CB-CG1 3.84Å; I831-L833 HydrophobicContact CG2-CD2 4.15Å; I831-M851 HydrophobicContact CD1-CE 3.7Å; I831-M851 HydrophobicContact CD1-SD 4.11Å; I831-M856 HydrophobicContact CD1-CE 3.87Å; I831-T858 HydrophobicContact CD1-CG2 4.29Å; I831-T858 HydrophobicContact CG1-CG2 4.1Å; I831-P859 PolarHBondContact N-O 3.43Å; I831-L860 HydrophobicContact CB-CD1 4.28Å; I831-L860 HydrophobicContact CG2-CD1 4Å; I831-L860 CarbonylContact O-C 3.56Å; I831-L860 WeakPolarHBondContact O-CA 3.17Å; I831-L861 PolarHBondContact O-N 3.23Å
832G94.9Very high87Confident6 Ų634.9 Ų34.96%0.06219%0.188CC..EExtended strand (participates in β ladder)trans-116.3127.5175.900000112.7V780 L781 A782 L861V780-G832 PolarHBondContact O-N 2.93Å; L781-G832 WeakPolarHBondContact CA-O 3.03Å; A782-G832 PolarHBondContact N-O 3.32Å; G832-L861 WeakPolarHBondContact CA-O 3.43Å
833L95.2Very high86.8Confident6 Ų634.1 Ų34.13%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-110.2134.3178.7-56.5-177.2000111.4A782 V784 I819 I831 M844 V847 L860 L861 I862 G863A782-L833 WeakPolarHBondContact O-CA 3.34Å; V784-L833 HydrophobicContact CG1-CB 4.01Å; V784-L833 HydrophobicContact CG1-CD1 4.27Å; V784-L833 HydrophobicContact CG1-CD2 4.17Å; V784-L833 HydrophobicContact CG1-CG 4.38Å; I819-L833 HydrophobicContact CD1-CD2 3.96Å; I819-L833 HydrophobicContact CG2-CD2 4.21Å; I831-L833 HydrophobicContact CG2-CD2 4.15Å; L833-M844 HydrophobicContact CB-CE 4.38Å; L833-M844 HydrophobicContact CB-CG 4.19Å; L833-M844 HydrophobicContact CD1-CB 4.26Å; L833-M844 HydrophobicContact CD1-CG 4.09Å; L833-V847 HydrophobicContact CD1-CB 3.81Å; L833-V847 HydrophobicContact CD1-CG1 3.75Å; L833-V847 HydrophobicContact CD1-CG2 4.17Å; L833-V847 HydrophobicContact CD2-CG1 4.44Å; L833-L860 HydrophobicContact CD1-CD1 3.83Å; L833-L860 HydrophobicContact CG-CD1 3.84Å; L833-L861 PolarHBondContact N-O 3.39Å; L833-I862 HydrophobicContact CB-CD1 4.24Å; L833-I862 HydrophobicContact CD1-CD1 4.08Å; L833-I862 HydrophobicContact CG-CD1 4.48Å; L833-G863 PolarHBondContact O-N 3.3Å
834S91.8Very high86.9Confident19 Ų1934 Ų3413%0.13318%0.183CC..EExtended strand (participates in β ladder)trans-115.9139.3177.3178.30000111.9A782 T783 V784 G863A782-S834 PolarHBondContact O-N 2.89Å; T783-S834 WeakPolarHBondContact CA-O 3.42Å; V784-S834 PolarHBondContact N-O 2.95Å; V784-S834 VanDerWaalsContact N-O 3.14Å; S834-G863 WeakPolarHBondContact CA-O 3.38Å
835G85.8Confident86.9Confident0 Ų030.6 Ų30.60%016%0.161CC..  trans-153.1138.5174.700000113.8D787 G863 G864 A865 T866D787-G835 WeakPolarHBondContact OD2-CA 2.96Å; G835-G863 PolarHBondContact N-O 3.36Å; G835-G863 VanDerWaalsContact N-O 3.14Å; G835-G864 CarbonylContact O-C 3.57Å; G835-G864 WeakPolarHBondContact O-CA 3.29Å; G835-A865 PolarHBondContact O-N 3.39Å; G835-A865 VanDerWaalsContact O-N 3.1Å; G835-T866 PolarHBondContact O-OG1 3.13Å
836L81Confident86.9Confident70 Ų7031.7 Ų31.737%0.36616%0.156SC..  trans-107.5-30.7179.1-166.281.4000113.1D787 H789 A865 T866D787-L836 PolarHBondContact OD2-N 3.2Å; H789-L836 HydrophobicContact CB-CB 3.82Å; H789-L836 HydrophobicContact CB-CD2 3.81Å; H789-L836 HydrophobicContact CB-CG 4.29Å; H789-L836 WeakPolarHBondContact CD2-CD2 3.47Å; H789-L836 WeakPolarHBondContact ND1-CD2 3.21Å; L836-A865 HydrophobicContact CD1-CB 3.38Å; L836-A865 HydrophobicContact CG-CB 4.32Å; L836-T866 WeakPolarHBondContact O-CG2 3.48Å; L836-T866 PolarHBondContact O-OG1 3.36Å
837I77.5Confident87.2Confident16 Ų1629.2 Ų29.28%0.08215%0.145CC..SBendtrans-105.4158.3-176.161.2169.5000111.9D787 P839 S840 T866 S1211 A1213D787-I837 PolarHBondContact OD2-N 3.11Å; I837-P839 HydrophobicContact CD1-CB 4.44Å; I837-P839 HydrophobicContact CD1-CG 4.19Å; I837-S840 WeakPolarHBondContact CG1-OG 3.38Å; I837-S840 WeakPolarHBondContact O-CB 3.4Å; I837-S840 PolarHBondContact O-N 3.29Å; I837-S840 VanDerWaalsContact O-N 3.1Å; I837-S840 PolarHBondContact O-OG 2.98Å; I837-T866 PolarHBondContact O-OG1 3.17Å; I837-T866 VanDerWaalsContact O-OG1 3.13Å; I837-S1211 WeakPolarHBondContact CD1-OG 3.37Å; I837-A1213 HydrophobicContact CD1-CB 4.04Å
838T74.9Confident87.4Confident30 Ų3022.5 Ų22.518%0.18412%0.116CC..THydrogen-bonded Turntrans-54.2-45.4-179.5-75.80000113.8S840 L841 P1263T838-S840 PolarHBondContact O-N 2.96Å; T838-S840 VanDerWaalsContact O-N 3.15Å; T838-L841 WeakPolarHBondContact O-CB 3.1Å; T838-L841 PolarHBondContact O-N 2.99Å; T838-L841 VanDerWaalsContact O-N 3.13Å; T838-P1263 VanDerWaalsContact CG2-CD 3.45Å; T838-P1263 HydrophobicContact CG2-CG 3.22Å
839P75.5Confident87.4Confident14 Ų1427.5 Ų27.59%0.09114%0.136CC..THydrogen-bonded Turntrans-58.9-26.1177.7-26.835.3000114.4I837 L841 E842 W1260I837-P839 HydrophobicContact CD1-CB 4.44Å; I837-P839 HydrophobicContact CD1-CG 4.19Å; P839-L841 PolarHBondContact O-N 3.34Å; P839-E842 PolarHBondContact O-N 2.62Å; P839-W1260 HydrophobicContact CB-CZ3 4.12Å; P839-W1260 HydrophobicContact CG-CE3 3.78Å; P839-W1260 HydrophobicContact CG-CZ3 3.46Å; P839-W1260 VanDerWaalsContact CG-CZ3 3.46Å
840S82.9Confident87.3Confident1 Ų125.8 Ų25.81%0.00713%0.125CC..Hα-helixtrans-62.9-27179.2-52.10000112.4D787 I837 T838 E842 E843 M844D787-S840 WeakPolarHBondContact CB-OG 3.46Å; D787-S840 PolarHBondContact OD2-OG 2.64Å; I837-S840 WeakPolarHBondContact CG1-OG 3.38Å; I837-S840 WeakPolarHBondContact O-CB 3.4Å; I837-S840 PolarHBondContact O-N 3.29Å; I837-S840 VanDerWaalsContact O-N 3.1Å; I837-S840 PolarHBondContact O-OG 2.98Å; T838-S840 PolarHBondContact O-N 2.96Å; T838-S840 VanDerWaalsContact O-N 3.15Å; S840-E842 VanDerWaalsContact C-N 3.33Å; S840-E842 PolarHBondContact O-N 2.51Å; S840-E843 PolarHBondContact O-N 3.44Å; S840-M844 WeakPolarHBondContact O-CG 3.46Å; S840-M844 PolarHBondContact O-N 3.28Å; S840-M844 VanDerWaalsContact O-N 3.14Å
841L83.5Confident87.2Confident10 Ų1025.8 Ų25.85%0.05213%0.125CC..Hα-helixtrans-65-35.9178.5-64.8178.7000112.4T838 P839 M844 I845 T867T838-L841 WeakPolarHBondContact O-CB 3.1Å; T838-L841 PolarHBondContact O-N 2.99Å; T838-L841 VanDerWaalsContact O-N 3.13Å; P839-L841 PolarHBondContact O-N 3.34Å; L841-M844 HydrophobicContact CD2-SD 4.31Å; L841-M844 PolarHBondContact O-N 3.43Å; L841-I845 WeakPolarHBondContact O-CG1 3.46Å; L841-I845 PolarHBondContact O-N 3.07Å; L841-I845 VanDerWaalsContact O-N 3.16Å; L841-T867 HydrophobicContact CD2-CG2 3.87Å
842E80.4Confident87.1Confident42 Ų4229.6 Ų29.620%0.19614%0.143CC..Hα-helixtrans-70-39.1176.6-66.5-164.3145.600112.2P839 S840 M844 I845 Y846 R1259P839-E842 PolarHBondContact O-N 2.62Å; S840-E842 VanDerWaalsContact C-N 3.33Å; S840-E842 PolarHBondContact O-N 2.51Å; E842-M844 PolarHBondContact O-N 2.93Å; E842-I845 WeakPolarHBondContact O-CB 3.37Å; E842-I845 PolarHBondContact O-N 3.15Å; E842-I845 VanDerWaalsContact O-N 3.17Å; E842-Y846 PolarHBondContact O-N 2.78Å; E842-R1259 VanDerWaalsContact OE1-CA 3.29Å; E842-R1259 WeakPolarHBondContact OE1-CA 3.06Å; E842-R1259 WeakPolarHBondContact OE1-CG 3.49Å; E842-R1259 VanDerWaalsContact OE1-O 3.12Å; E842-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E842-R1259 WeakPolarHBondContact OE2-CG 3.28Å; E842-R1259 IonicContact OE2-CZ 2.68Å; E842-R1259 IonicContact OE2-NE 2.82Å; E842-R1259 PolarHBondContact OE2-NE 3.08Å; E842-R1259 IonicContact OE2-NH2 3.98Å
843E85.4Confident86.9Confident33 Ų3337 Ų3715%0.15417%0.169CC..Hα-helixtrans-62.5-35.9175.8-67.5-65.9145.300110.8V784 K785 S840 Y846 V847 R1259V784-E843 HydrophobicContact CB-CB 3.99Å; V784-E843 HydrophobicContact CG2-CB 4.07Å; K785-E843 HydrophobicContact CB-CG 4.36Å; S840-E843 PolarHBondContact O-N 3.44Å; E843-Y846 PolarHBondContact O-N 2.89Å; E843-V847 VanDerWaalsContact O-CG2 3.29Å; E843-V847 WeakPolarHBondContact O-CG2 3.29Å; E843-V847 PolarHBondContact O-N 3.37Å; E843-R1259 IonicContact OE1-NH2 3.78Å
844M91.8Very high86.6Confident0 Ų041 Ų410%019%0.19CC..Hα-helixtrans-65.2-41.1173.2-66.5171-179.700112.5V784 L833 S840 L841 E842 Y846 V847 A848 I862 T867 I876V784-M844 HydrophobicContact CG1-CE 4.44Å; V784-M844 HydrophobicContact CG1-CG 3.92Å; V784-M844 HydrophobicContact CG2-CE 4.47Å; L833-M844 HydrophobicContact CB-CE 4.38Å; L833-M844 HydrophobicContact CB-CG 4.19Å; L833-M844 HydrophobicContact CD1-CB 4.26Å; L833-M844 HydrophobicContact CD1-CG 4.09Å; S840-M844 WeakPolarHBondContact O-CG 3.46Å; S840-M844 PolarHBondContact O-N 3.28Å; S840-M844 VanDerWaalsContact O-N 3.14Å; L841-M844 HydrophobicContact CD2-SD 4.31Å; L841-M844 PolarHBondContact O-N 3.43Å; E842-M844 PolarHBondContact O-N 2.93Å; M844-Y846 VanDerWaalsContact C-N 3.31Å; M844-V847 PolarHBondContact O-N 3.45Å; M844-A848 PolarHBondContact O-N 2.87Å; M844-I862 HydrophobicContact CB-CD1 4.3Å; M844-I862 HydrophobicContact CG-CD1 4.47Å; M844-I862 HydrophobicContact SD-CD1 4.48Å; M844-I862 HydrophobicContact SD-CG2 3.77Å; M844-T867 HydrophobicContact CE-CG2 3.81Å; M844-T867 HydrophobicContact SD-CG2 3.76Å; M844-I876 HydrophobicContact CB-CD1 4.02Å
845I88.9Confident86.4Confident31 Ų3143 Ų4316%0.15921%0.213CC..Hα-helixtrans-62.1-42.4173.4-63.8165.6000110.1L841 E842 A848 K849 K875 I876L841-I845 WeakPolarHBondContact O-CG1 3.46Å; L841-I845 PolarHBondContact O-N 3.07Å; L841-I845 VanDerWaalsContact O-N 3.16Å; E842-I845 WeakPolarHBondContact O-CB 3.37Å; E842-I845 PolarHBondContact O-N 3.15Å; E842-I845 VanDerWaalsContact O-N 3.17Å; I845-A848 PolarHBondContact O-N 3.04Å; I845-K849 HydrophobicContact CG2-CD 4.34Å; I845-K849 WeakPolarHBondContact O-CG 3.46Å; I845-K849 PolarHBondContact O-N 2.71Å; I845-K875 HydrophobicContact CD1-CB 3.92Å; I845-K875 HydrophobicContact CG1-CB 4.45Å; I845-I876 HydrophobicContact CG1-CG1 3.75Å
846Y87.4Confident86.7Confident114 Ų11444 Ų4445%0.44722%0.218SC..Hα-helixtrans-62.4-44178-179-113.5000111.8C816 E842 E843 M844 A848 K849 E850C816-Y846 HydrophobicContact CB-CD1 3.93Å; C816-Y846 HydrophobicContact CB-CE1 3.82Å; E842-Y846 PolarHBondContact O-N 2.78Å; E843-Y846 PolarHBondContact O-N 2.89Å; M844-Y846 VanDerWaalsContact C-N 3.31Å; Y846-A848 PolarHBondContact O-N 3.03Å; Y846-K849 PolarHBondContact O-N 2.93Å; Y846-E850 HydrophobicContact CD2-CG 4.37Å; Y846-E850 HydrophobicContact CE1-CG 4.07Å; Y846-E850 HydrophobicContact CE2-CG 3.87Å; Y846-E850 WeakPolarHBondContact O-CG 3.36Å; Y846-E850 PolarHBondContact O-N 2.95Å
847V91.8Very high87.1Confident2 Ų245.3 Ų45.31%0.01223%0.229CC..Hα-helixtrans-60.2-45.5174.7175.10000111.2C816 I819 L820 L833 E843 M844 K849 E850 M851C816-V847 HydrophobicContact CB-CG2 3.85Å; I819-V847 HydrophobicContact CD1-CG2 4.48Å; L820-V847 HydrophobicContact CD2-CG1 4.14Å; L833-V847 HydrophobicContact CD1-CB 3.81Å; L833-V847 HydrophobicContact CD1-CG1 3.75Å; L833-V847 HydrophobicContact CD1-CG2 4.17Å; L833-V847 HydrophobicContact CD2-CG1 4.44Å; E843-V847 VanDerWaalsContact O-CG2 3.29Å; E843-V847 WeakPolarHBondContact O-CG2 3.29Å; E843-V847 PolarHBondContact O-N 3.37Å; M844-V847 PolarHBondContact O-N 3.45Å; V847-K849 PolarHBondContact O-N 3.48Å; V847-E850 PolarHBondContact O-N 3.15Å; V847-M851 HydrophobicContact CG1-CG 4.29Å; V847-M851 HydrophobicContact CG1-SD 3.96Å; V847-M851 VanDerWaalsContact O-CG 3.29Å; V847-M851 WeakPolarHBondContact O-CG 3.36Å; V847-M851 PolarHBondContact O-N 3.02Å
848A92.9Very high87.9Confident0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-59.5-44.2177.400000112.4M844 I845 Y846 E850 M851 E852 L860 I876 C879M844-A848 PolarHBondContact O-N 2.87Å; I845-A848 PolarHBondContact O-N 3.04Å; Y846-A848 PolarHBondContact O-N 3.03Å; A848-E850 PolarHBondContact O-N 2.94Å; A848-M851 PolarHBondContact O-N 3.07Å; A848-E852 PolarHBondContact O-N 3.36Å; A848-L860 HydrophobicContact CB-CD2 3.92Å; A848-I876 HydrophobicContact CB-CG2 3.88Å; A848-C879 HydrophobicContact CB-CB 4.18Å
849K89.8Confident88.8Confident114 Ų11444.5 Ų44.550%0.49623%0.225SC..Hα-helixtrans-63-40.1175.6-72.7-179.2177.7-176.70112.7I845 Y846 V847 E852 R853 C879I845-K849 HydrophobicContact CG2-CD 4.34Å; I845-K849 WeakPolarHBondContact O-CG 3.46Å; I845-K849 PolarHBondContact O-N 2.71Å; Y846-K849 PolarHBondContact O-N 2.93Å; V847-K849 PolarHBondContact O-N 3.48Å; K849-E852 PolarHBondContact O-N 2.8Å; K849-R853 WeakPolarHBondContact O-CB 3.47Å; K849-R853 PolarHBondContact O-N 2.82Å; K849-C879 HydrophobicContact CG-CB 3.78Å
850E91.3Very high89.8Confident34 Ų3443.9 Ų43.916%0.15922%0.221CC..Hα-helixtrans-71-35.3177.6-74.6-62.7122.800112.2L820 Y846 V847 A848 R853 L854L820-E850 HydrophobicContact CD1-CB 3.76Å; Y846-E850 HydrophobicContact CD2-CG 4.37Å; Y846-E850 HydrophobicContact CE1-CG 4.07Å; Y846-E850 HydrophobicContact CE2-CG 3.87Å; Y846-E850 WeakPolarHBondContact O-CG 3.36Å; Y846-E850 PolarHBondContact O-N 2.95Å; V847-E850 PolarHBondContact O-N 3.15Å; A848-E850 PolarHBondContact O-N 2.94Å; E850-R853 PolarHBondContact O-N 3.45Å; E850-R853 IonicContact OE1-NE 2.67Å; E850-R853 PolarHBondContact OE1-NE 3.12Å; E850-R853 IonicContact OE2-CZ 2.85Å; E850-R853 IonicContact OE2-NE 3.2Å; E850-R853 PolarHBondContact OE2-NE 3.46Å; E850-R853 IonicContact OE2-NH2 3.36Å; E850-R853 PolarHBondContact OE2-NH2 3.49Å; E850-L854 WeakPolarHBondContact O-CB 3.21Å; E850-L854 VanDerWaalsContact O-CG 3.3Å; E850-L854 WeakPolarHBondContact O-CG 3.28Å; E850-L854 PolarHBondContact O-N 2.92Å
851M93.3Very high90.4Very high0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-61.2-43.5171.6-72.3177.465.800111.5L820 I831 V847 A848 L854 G855 M856 T858 L860 Y880L820-M851 HydrophobicContact CD1-CG 4.34Å; L820-M851 HydrophobicContact CD2-CG 3.44Å; L820-M851 VanDerWaalsContact CD2-CG 3.44Å; L820-M851 HydrophobicContact CD2-SD 4.12Å; I831-M851 HydrophobicContact CD1-CE 3.7Å; I831-M851 HydrophobicContact CD1-SD 4.11Å; V847-M851 HydrophobicContact CG1-CG 4.29Å; V847-M851 HydrophobicContact CG1-SD 3.96Å; V847-M851 VanDerWaalsContact O-CG 3.29Å; V847-M851 WeakPolarHBondContact O-CG 3.36Å; V847-M851 PolarHBondContact O-N 3.02Å; A848-M851 PolarHBondContact O-N 3.07Å; M851-L854 PolarHBondContact O-N 2.95Å; M851-G855 PolarHBondContact O-N 3.18Å; M851-M856 HydrophobicContact CB-CB 4.36Å; M851-M856 HydrophobicContact CB-SD 4.35Å; M851-M856 HydrophobicContact CG-SD 3.94Å; M851-M856 PolarHBondContact O-N 3.47Å; M851-T858 WeakPolarHBondContact CE-O 3.5Å; M851-L860 HydrophobicContact CE-CB 4.34Å; M851-L860 HydrophobicContact SD-CD1 3.98Å; M851-L860 HydrophobicContact SD-CD2 4.17Å; M851-L860 HydrophobicContact SD-CG 4.46Å; M851-Y880 HydrophobicContact CB-CD2 3.97Å; M851-Y880 HydrophobicContact CB-CE2 3.72Å; M851-Y880 HydrophobicContact CE-CD1 4.5Å; M851-Y880 HydrophobicContact CE-CE1 3.68Å; M851-Y880 HydrophobicContact CE-CE2 4.46Å
852E92.8Very high90.9Very high79 Ų7944.1 Ų44.137%0.36922%0.223SC..Hα-helixtrans-62.7-47.7173.8-172.762.6-162.100111.4A848 K849 L854 G855 C879 Y880 S881A848-E852 PolarHBondContact O-N 3.36Å; K849-E852 PolarHBondContact O-N 2.8Å; E852-L854 PolarHBondContact O-N 3.46Å; E852-G855 PolarHBondContact O-N 3.22Å; E852-C879 WeakPolarHBondContact CB-O 3.31Å; E852-Y880 HydrophobicContact CB-CD2 3.99Å; E852-Y880 VanDerWaalsContact OE2-CD2 3.29Å; E852-Y880 WeakPolarHBondContact OE2-CD2 3.29Å; E852-S881 PolarHBondContact OE1-OG 3.49Å; E852-S881 VanDerWaalsContact OE2-CB 3.27Å; E852-S881 WeakPolarHBondContact OE2-CB 3.3Å; E852-S881 PolarHBondContact OE2-N 3.44Å; E852-S881 PolarHBondContact OE2-OG 3Å
853R91Very high91.3Very high161 Ų16142.9 Ų42.961%0.60822%0.221SC*.Hα-helixtrans-59.5-34179.2-169-173.968.170.11.5112.6K849 E850 G855K849-R853 WeakPolarHBondContact O-CB 3.47Å; K849-R853 PolarHBondContact O-N 2.82Å; E850-R853 PolarHBondContact O-N 3.45Å; E850-R853 IonicContact OE1-NE 2.67Å; E850-R853 PolarHBondContact OE1-NE 3.12Å; E850-R853 IonicContact OE2-CZ 2.85Å; E850-R853 IonicContact OE2-NE 3.2Å; E850-R853 PolarHBondContact OE2-NE 3.46Å; E850-R853 IonicContact OE2-NH2 3.36Å; E850-R853 PolarHBondContact OE2-NH2 3.49Å; R853-G855 VanDerWaalsContact C-N 3.33Å
854L89.1Confident91.3Very high91 Ų9143 Ų4348%0.47623%0.231SC..THydrogen-bonded Turntrans-86.1-1.7177.5-67.7177.7000113.4L820 E850 M851 E852 M856L820-L854 HydrophobicContact CB-CD1 4.49Å; L820-L854 HydrophobicContact CD1-CD1 3.79Å; E850-L854 WeakPolarHBondContact O-CB 3.21Å; E850-L854 VanDerWaalsContact O-CG 3.3Å; E850-L854 WeakPolarHBondContact O-CG 3.28Å; E850-L854 PolarHBondContact O-N 2.92Å; M851-L854 PolarHBondContact O-N 2.95Å; E852-L854 PolarHBondContact O-N 3.46Å; L854-M856 VanDerWaalsContact C-N 3.29Å; L854-M856 HydrophobicContact CB-CG 4.13Å; L854-M856 PolarHBondContact O-N 3.23Å
855G88.1Confident90.7Very high60 Ų6046.8 Ų46.862%0.61926%0.262SS*.THydrogen-bonded Turntrans65.130.2179.600000113.5M851 E852 R853M851-G855 PolarHBondContact O-N 3.18Å; E852-G855 PolarHBondContact O-N 3.22Å; R853-G855 VanDerWaalsContact C-N 3.33Å
856M91.8Very high90.1Very high22 Ų2247.3 Ų47.311%0.10827%0.267CS..  trans-69.8148.2176.6-62.4-17572.100110.2L820 A823 V824 I831 M851 L854 Y880L820-M856 HydrophobicContact CB-SD 4.48Å; L820-M856 HydrophobicContact CD2-SD 3.94Å; A823-M856 HydrophobicContact CB-CE 4.31Å; V824-M856 HydrophobicContact CG2-CE 4.28Å; I831-M856 HydrophobicContact CD1-CE 3.87Å; M851-M856 HydrophobicContact CB-CB 4.36Å; M851-M856 HydrophobicContact CB-SD 4.35Å; M851-M856 HydrophobicContact CG-SD 3.94Å; M851-M856 PolarHBondContact O-N 3.47Å; L854-M856 VanDerWaalsContact C-N 3.29Å; L854-M856 HydrophobicContact CB-CG 4.13Å; L854-M856 PolarHBondContact O-N 3.23Å; M856-Y880 VanDerWaalsContact O-CE2 3.26Å; M856-Y880 WeakPolarHBondContact O-CE2 3.3Å; M856-Y880 PolarHBondContact O-OH 2.94Å
857T90Very high89.9Confident97 Ų9742.5 Ų42.560%0.59525%0.25SC*.  trans-115.22.3176.355.40000113.7Y880 S882T857-Y880 WeakPolarHBondContact CA-OH 3.36Å; T857-Y880 PolarHBondContact N-OH 2.64Å; T857-S882 WeakPolarHBondContact CA-OG 3.37Å
858T92.8Very high89.6Confident24 Ų2444.8 Ų44.815%0.14727%0.266CS..  trans-69.2126.2-177.8-47.90000111.1A828 D829 I831 M851 Y880A828-T858 WeakPolarHBondContact O-CG2 3.4Å; D829-T858 VanDerWaalsContact C-CG2 3.46Å; D829-T858 VanDerWaalsContact O-CG2 3.3Å; D829-T858 WeakPolarHBondContact O-CG2 3.33Å; I831-T858 HydrophobicContact CD1-CG2 4.29Å; I831-T858 HydrophobicContact CG1-CG2 4.1Å; M851-T858 WeakPolarHBondContact CE-O 3.5Å; T858-Y880 PolarHBondContact N-OH 2.85Å; T858-Y880 WeakPolarHBondContact O-CE1 3.39Å; T858-Y880 PolarHBondContact O-OH 3.25Å; T858-Y880 VanDerWaalsContact O-OH 3.05Å
859P94.1Very high89.3Confident6 Ų648 Ų484%0.03928%0.28CS..  trans-54.3143174-27.134.4000114D829 I831 P883 L900D829-P859 WeakPolarHBondContact O-CD 3.44Å; I831-P859 PolarHBondContact N-O 3.43Å; P859-P883 WeakPolarHBondContact CA-O 3.46Å; P859-P883 HydrophobicContact CB-CB 4.27Å; P859-P883 HydrophobicContact CG-CG 4.45Å; P859-L900 HydrophobicContact CB-CD1 3.96Å; P859-L900 HydrophobicContact CB-CD2 4.48Å; P859-L900 HydrophobicContact CG-CB 4.49Å
860L95.9Very high89Confident0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-114.4116.7-178.2-179.862.1000111.1I831 L833 A848 M851 I862 I876 Y880 P883 V884 V885I831-L860 HydrophobicContact CB-CD1 4.28Å; I831-L860 HydrophobicContact CG2-CD1 4Å; I831-L860 CarbonylContact O-C 3.56Å; I831-L860 WeakPolarHBondContact O-CA 3.17Å; L833-L860 HydrophobicContact CD1-CD1 3.83Å; L833-L860 HydrophobicContact CG-CD1 3.84Å; A848-L860 HydrophobicContact CB-CD2 3.92Å; M851-L860 HydrophobicContact CE-CB 4.34Å; M851-L860 HydrophobicContact SD-CD1 3.98Å; M851-L860 HydrophobicContact SD-CD2 4.17Å; M851-L860 HydrophobicContact SD-CG 4.46Å; L860-I862 HydrophobicContact CD1-CD1 4.28Å; L860-I862 HydrophobicContact CD2-CD1 4.02Å; L860-I862 HydrophobicContact CG-CD1 3.88Å; L860-I862 HydrophobicContact CG-CG1 4.49Å; L860-I876 HydrophobicContact CD2-CG2 4.44Å; L860-Y880 HydrophobicContact CB-CD1 4.36Å; L860-Y880 HydrophobicContact CB-CE1 4.39Å; L860-P883 PolarHBondContact N-O 2.79Å; L860-V884 HydrophobicContact CB-CG2 4.29Å; L860-V884 HydrophobicContact CD2-CG1 4.4Å; L860-V884 HydrophobicContact CD2-CG2 4.37Å; L860-V884 CarbonylContact O-C 3.56Å; L860-V884 VanDerWaalsContact O-CA 3.32Å; L860-V884 WeakPolarHBondContact O-CA 3.35Å; L860-V885 PolarHBondContact O-N 3.06Å
861L95.7Very high88.7Confident16 Ų1645.5 Ų45.58%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-95.5133.2171.8-76.275.4000110.8V830 I831 G832 L833 V885 V887 V896 L900V830-L861 HydrophobicContact CG1-CD1 3.11Å; V830-L861 HydrophobicContact CG1-CG 4.42Å; I831-L861 PolarHBondContact O-N 3.23Å; G832-L861 WeakPolarHBondContact CA-O 3.43Å; L833-L861 PolarHBondContact N-O 3.39Å; L861-V885 WeakPolarHBondContact CA-O 3.41Å; L861-V887 HydrophobicContact CD2-CG2 3.71Å; L861-V887 HydrophobicContact CG-CG2 4.08Å; L861-V896 HydrophobicContact CD2-CG1 4.34Å; L861-L900 HydrophobicContact CD1-CD1 4.22Å
862I94.6Very high88.5Confident1 Ų145.5 Ų45.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-112.9125.2177.2-57.2-58.3000109.3L833 M844 L860 T867 T872 I876 V884 V885 H886 V887L833-I862 HydrophobicContact CB-CD1 4.24Å; L833-I862 HydrophobicContact CD1-CD1 4.08Å; L833-I862 HydrophobicContact CG-CD1 4.48Å; M844-I862 HydrophobicContact CB-CD1 4.3Å; M844-I862 HydrophobicContact CG-CD1 4.47Å; M844-I862 HydrophobicContact SD-CD1 4.48Å; M844-I862 HydrophobicContact SD-CG2 3.77Å; L860-I862 HydrophobicContact CD1-CD1 4.28Å; L860-I862 HydrophobicContact CD2-CD1 4.02Å; L860-I862 HydrophobicContact CG-CD1 3.88Å; L860-I862 HydrophobicContact CG-CG1 4.49Å; I862-T867 HydrophobicContact CG2-CG2 3.72Å; I862-T872 HydrophobicContact CB-CG2 4.28Å; I862-T872 HydrophobicContact CG1-CG2 4.11Å; I862-I876 HydrophobicContact CD1-CD1 4.23Å; I862-I876 HydrophobicContact CD1-CG2 4.2Å; I862-I876 HydrophobicContact CG1-CD1 4.07Å; I862-I876 HydrophobicContact CG1-CG2 4.24Å; I862-I876 HydrophobicContact CG2-CD1 3.91Å; I862-V884 HydrophobicContact CG1-CG1 4.03Å; I862-V885 PolarHBondContact N-O 3.29Å; I862-H886 WeakPolarHBondContact O-CA 3.32Å; I862-H886 PolarHBondContact O-CD2 3.38Å; I862-H886 VanDerWaalsContact O-CD2 3.3Å; I862-V887 PolarHBondContact O-N 3.1Å
863G89.9Confident88.3Confident16 Ų1641.7 Ų41.717%0.16526%0.256CS..EExtended strand (participates in β ladder)trans-147169.7178.700000114.1L833 S834 G835 T867L833-G863 PolarHBondContact O-N 3.3Å; S834-G863 WeakPolarHBondContact CA-O 3.38Å; G835-G863 PolarHBondContact N-O 3.36Å; G835-G863 VanDerWaalsContact N-O 3.14Å; G863-T867 VanDerWaalsContact C-OG1 3.3Å; G863-T867 VanDerWaalsContact O-CG2 3.26Å; G863-T867 WeakPolarHBondContact O-CG2 3.4Å
864G85.4Confident87.9Confident35 Ų3534.5 Ų34.536%0.36123%0.23SC..SBendtrans113.2165.2179.500000113.9G835 T866 T867G835-G864 CarbonylContact O-C 3.57Å; G835-G864 WeakPolarHBondContact O-CA 3.29Å; G864-T866 VanDerWaalsContact C-N 3.32Å; G864-T866 PolarHBondContact O-N 3.48Å; G864-T867 PolarHBondContact N-OG1 3.2Å; G864-T867 WeakPolarHBondContact O-CB 3.34Å; G864-T867 PolarHBondContact O-N 3.39Å; G864-T867 PolarHBondContact O-OG1 3.11Å
865A77.8Confident87.6Confident80 Ų8034.4 Ų34.466%0.66123%0.225SC*.THydrogen-bonded Turntrans-65.5-27.9-161.600000115.2G835 L836G835-A865 PolarHBondContact O-N 3.39Å; G835-A865 VanDerWaalsContact O-N 3.1Å; L836-A865 HydrophobicContact CD1-CB 3.38Å; L836-A865 HydrophobicContact CG-CB 4.32Å
866T76.2Confident87.7Confident41 Ų4131.5 Ų31.525%0.25220%0.196SC..THydrogen-bonded Turntrans-87.7-9176.541.50000113.4G835 L836 I837 G864G835-T866 PolarHBondContact O-OG1 3.13Å; L836-T866 WeakPolarHBondContact O-CG2 3.48Å; L836-T866 PolarHBondContact O-OG1 3.36Å; I837-T866 PolarHBondContact O-OG1 3.17Å; I837-T866 VanDerWaalsContact O-OG1 3.13Å; G864-T866 VanDerWaalsContact C-N 3.32Å; G864-T866 PolarHBondContact O-N 3.48Å
867T84.7Confident87.7Confident14 Ų1431.4 Ų31.49%0.08620%0.199CC..  trans-82146.8179.772.50000110.5L841 M844 I862 G863 G864 H886L841-T867 HydrophobicContact CD2-CG2 3.87Å; M844-T867 HydrophobicContact CE-CG2 3.81Å; M844-T867 HydrophobicContact SD-CG2 3.76Å; I862-T867 HydrophobicContact CG2-CG2 3.72Å; G863-T867 VanDerWaalsContact C-OG1 3.3Å; G863-T867 VanDerWaalsContact O-CG2 3.26Å; G863-T867 WeakPolarHBondContact O-CG2 3.4Å; G864-T867 PolarHBondContact N-OG1 3.2Å; G864-T867 WeakPolarHBondContact O-CB 3.34Å; G864-T867 PolarHBondContact O-N 3.39Å; G864-T867 PolarHBondContact O-OG1 3.11Å; T867-H886 PolarHBondContact OG1-CD2 3.42Å; T867-H886 PolarHBondContact OG1-NE2 3.1Å
868S84.8Confident87.7Confident50 Ų5030.1 Ų30.135%0.3519%0.192SC..  trans-146.3155.4176.461.20000109.6T870 H871 T872S868-T870 VanDerWaalsContact C-N 3.25Å; S868-T870 PolarHBondContact O-N 2.95Å; S868-H871 PolarHBondContact O-N 3.5Å; S868-H871 VanDerWaalsContact OG-CB 3.29Å; S868-H871 WeakPolarHBondContact OG-CB 3.39Å; S868-H871 PolarHBondContact OG-N 2.98Å; S868-H871 VanDerWaalsContact OG-N 3.15Å; S868-T872 PolarHBondContact O-N 3.25Å; S868-T872 PolarHBondContact O-OG1 2.81Å; S868-T872 VanDerWaalsContact O-OG1 3.1Å
869K86.8Confident87.5Confident68 Ų6830.4 Ų30.430%0.29620%0.195SC..Hα-helixtrans-53.5-45.9175.5-172.1-177.5171.5-160.90111.2T872 A873 H886 E916 Y917K869-T872 PolarHBondContact O-N 3.21Å; K869-A873 VanDerWaalsContact O-CB 3.3Å; K869-A873 WeakPolarHBondContact O-CB 3.4Å; K869-A873 PolarHBondContact O-N 3.3Å; K869-H886 PolarHBondContact N-ND1 3.12Å; K869-H886 VanDerWaalsContact N-ND1 3.15Å; K869-E916 VanDerWaalsContact CE-OE1 3.28Å; K869-E916 WeakPolarHBondContact CE-OE1 3.23Å; K869-E916 WeakPolarHBondContact CE-OE2 3.44Å; K869-E916 IonicContact NZ-OE1 2.66Å; K869-E916 PolarHBondContact NZ-OE1 3.18Å; K869-E916 IonicContact NZ-OE2 3.53Å; K869-Y917 HydrophobicContact CG-CD1 4.46Å; K869-Y917 HydrophobicContact CG-CE1 3.83Å
870T84Confident87.5Confident59 Ų5930.7 Ų30.736%0.36220%0.195SC..Hα-helixtrans-60.9-47.5177.3-460000112.4S868 T872 A873 V874 V920 H924S868-T870 VanDerWaalsContact C-N 3.25Å; S868-T870 PolarHBondContact O-N 2.95Å; T870-T872 PolarHBondContact O-N 2.66Å; T870-A873 PolarHBondContact O-N 2.95Å; T870-V874 HydrophobicContact CG2-CG2 4.21Å; T870-V874 VanDerWaalsContact O-CB 3.31Å; T870-V874 WeakPolarHBondContact O-CB 3.27Å; T870-V874 WeakPolarHBondContact O-CG2 3.49Å; T870-V874 PolarHBondContact O-N 2.62Å; T870-V920 HydrophobicContact CG2-CG1 4.16Å; T870-H924 HydrophobicContact CG2-CB 4.38Å
871H83.9Confident87.1Confident35 Ų3534 Ų3416%0.16222%0.218CC..Hα-helixtrans-62.3-44.3178.4178.7-86.5000111.8S868 V874 K875S868-H871 PolarHBondContact O-N 3.5Å; S868-H871 VanDerWaalsContact OG-CB 3.29Å; S868-H871 WeakPolarHBondContact OG-CB 3.39Å; S868-H871 PolarHBondContact OG-N 2.98Å; S868-H871 VanDerWaalsContact OG-N 3.15Å; H871-V874 PolarHBondContact O-N 2.72Å; H871-K875 WeakPolarHBondContact O-CB 3.33Å; H871-K875 PolarHBondContact O-N 3.33Å
872T89.1Confident86.9Confident0 Ų033.9 Ų33.90%022%0.219CC..Iπ-helixtrans-62.6-48.1179-57.30000111.1I862 S868 K869 T870 V874 I876 A877 V884 H886 Y917I862-T872 HydrophobicContact CB-CG2 4.28Å; I862-T872 HydrophobicContact CG1-CG2 4.11Å; S868-T872 PolarHBondContact O-N 3.25Å; S868-T872 PolarHBondContact O-OG1 2.81Å; S868-T872 VanDerWaalsContact O-OG1 3.1Å; K869-T872 PolarHBondContact O-N 3.21Å; T870-T872 PolarHBondContact O-N 2.66Å; T872-V874 PolarHBondContact O-N 3.15Å; T872-I876 HydrophobicContact CG2-CB 4.38Å; T872-I876 PolarHBondContact O-N 3.43Å; T872-I876 VanDerWaalsContact O-N 3.1Å; T872-A877 WeakPolarHBondContact O-CB 3.28Å; T872-A877 PolarHBondContact O-N 3.31Å; T872-V884 HydrophobicContact CG2-CG1 3.77Å; T872-H886 HydrophobicContact CG2-CB 4.14Å; T872-Y917 HydrophobicContact CG2-CE2 4.25Å
873A88.3Confident86.8Confident0 Ų034 Ų340%022%0.219CC..Iπ-helixtrans-61.9-41.8178.600000112.9K869 T870 P878 Y917 V920 R921K869-A873 VanDerWaalsContact O-CB 3.3Å; K869-A873 WeakPolarHBondContact O-CB 3.4Å; K869-A873 PolarHBondContact O-N 3.3Å; T870-A873 PolarHBondContact O-N 2.95Å; A873-P878 WeakPolarHBondContact O-CD 3.3Å; A873-Y917 HydrophobicContact CB-CD1 3.9Å; A873-Y917 HydrophobicContact CB-CD2 3.82Å; A873-Y917 HydrophobicContact CB-CE1 4.45Å; A873-Y917 HydrophobicContact CB-CE2 4.37Å; A873-Y917 HydrophobicContact CB-CG 3.55Å; A873-V920 HydrophobicContact CB-CG1 4.3Å; A873-R921 HydrophobicContact CB-CG 4.47Å; A873-R921 WeakPolarHBondContact O-CD 3.45Å
874V84Confident87Confident10 Ų1033.6 Ų33.66%0.06121%0.214CC..Iπ-helixtrans-83.8-36-173.9177.30000112.9T870 H871 T872 R921 H924T870-V874 HydrophobicContact CG2-CG2 4.21Å; T870-V874 VanDerWaalsContact O-CB 3.31Å; T870-V874 WeakPolarHBondContact O-CB 3.27Å; T870-V874 WeakPolarHBondContact O-CG2 3.49Å; T870-V874 PolarHBondContact O-N 2.62Å; H871-V874 PolarHBondContact O-N 2.72Å; T872-V874 PolarHBondContact O-N 3.15Å; V874-R921 HydrophobicContact CG2-CG 3.88Å; V874-H924 HydrophobicContact CG2-CB 4.24Å
875K82.8Confident87.3Confident88 Ų8832.1 Ų32.138%0.38320%0.198SC..Iπ-helixtrans-119.1-28.2-168.3-62.9-61.4-176.2-168.90115.6I845 H871 C879I845-K875 HydrophobicContact CD1-CB 3.92Å; I845-K875 HydrophobicContact CG1-CB 4.45Å; H871-K875 WeakPolarHBondContact O-CB 3.33Å; H871-K875 PolarHBondContact O-N 3.33Å; K875-C879 PolarHBondContact O-SG 3.14Å; K875-C879 VanDerWaalsContact O-SG 3.34Å
876I89.1Confident88.1Confident0 Ų029.8 Ų29.80%017%0.173CC..Iπ-helixtrans-100.9-54.8-175.4-54.1174.9000111M844 I845 A848 L860 I862 T872 P878 C879 V884M844-I876 HydrophobicContact CB-CD1 4.02Å; I845-I876 HydrophobicContact CG1-CG1 3.75Å; A848-I876 HydrophobicContact CB-CG2 3.88Å; L860-I876 HydrophobicContact CD2-CG2 4.44Å; I862-I876 HydrophobicContact CD1-CD1 4.23Å; I862-I876 HydrophobicContact CD1-CG2 4.2Å; I862-I876 HydrophobicContact CG1-CD1 4.07Å; I862-I876 HydrophobicContact CG1-CG2 4.24Å; I862-I876 HydrophobicContact CG2-CD1 3.91Å; T872-I876 HydrophobicContact CG2-CB 4.38Å; T872-I876 PolarHBondContact O-N 3.43Å; T872-I876 VanDerWaalsContact O-N 3.1Å; I876-P878 VanDerWaalsContact C-N 3.31Å; I876-C879 VanDerWaalsContact O-CB 3.32Å; I876-C879 WeakPolarHBondContact O-CB 3.17Å; I876-C879 PolarHBondContact O-N 3.39Å; I876-V884 HydrophobicContact CB-CG1 4.48Å; I876-V884 HydrophobicContact CG2-CG1 3.9Å
877A92.1Very high88.7Confident20 Ų2028.6 Ų28.617%0.16517%0.166CC..G310 helixtrans-53.5-38-179.100000114T872 C879 Y880 V884 Y917T872-A877 WeakPolarHBondContact O-CB 3.28Å; T872-A877 PolarHBondContact O-N 3.31Å; A877-C879 PolarHBondContact O-N 3.11Å; A877-Y880 PolarHBondContact O-N 2.99Å; A877-V884 HydrophobicContact CB-CB 4.06Å; A877-V884 HydrophobicContact CB-CG1 4.38Å; A877-Y917 HydrophobicContact CB-CD2 3.96Å; A877-Y917 HydrophobicContact CB-CE2 4.16Å
878P89.6Confident88.3Confident70 Ų7033.7 Ų33.746%0.45519%0.192SC..G310 helixtrans-68.1-15.6176.9-19.132.8000114.2A873 I876A873-P878 WeakPolarHBondContact O-CD 3.3Å; I876-P878 VanDerWaalsContact C-N 3.31Å
879C89.6Confident87.9Confident30 Ų3032.9 Ų32.920%0.20318%0.184CC..G310 helixtrans-88-5-178.4-63.70000113.5A848 K849 E852 K875 I876 A877A848-C879 HydrophobicContact CB-CB 4.18Å; K849-C879 HydrophobicContact CG-CB 3.78Å; E852-C879 WeakPolarHBondContact CB-O 3.31Å; K875-C879 PolarHBondContact O-SG 3.14Å; K875-C879 VanDerWaalsContact O-SG 3.34Å; I876-C879 VanDerWaalsContact O-CB 3.32Å; I876-C879 WeakPolarHBondContact O-CB 3.17Å; I876-C879 PolarHBondContact O-N 3.39Å; A877-C879 PolarHBondContact O-N 3.11Å
880Y92.9Very high87.2Confident11 Ų1130.1 Ų30.14%0.04317%0.173CC..  trans-143130.5-176.4-173.9-133.8000111.5M851 E852 M856 T857 T858 L860 A877 S882 V884M851-Y880 HydrophobicContact CB-CD2 3.97Å; M851-Y880 HydrophobicContact CB-CE2 3.72Å; M851-Y880 HydrophobicContact CE-CD1 4.5Å; M851-Y880 HydrophobicContact CE-CE1 3.68Å; M851-Y880 HydrophobicContact CE-CE2 4.46Å; E852-Y880 HydrophobicContact CB-CD2 3.99Å; E852-Y880 VanDerWaalsContact OE2-CD2 3.29Å; E852-Y880 WeakPolarHBondContact OE2-CD2 3.29Å; M856-Y880 VanDerWaalsContact O-CE2 3.26Å; M856-Y880 WeakPolarHBondContact O-CE2 3.3Å; M856-Y880 PolarHBondContact O-OH 2.94Å; T857-Y880 WeakPolarHBondContact CA-OH 3.36Å; T857-Y880 PolarHBondContact N-OH 2.64Å; T858-Y880 PolarHBondContact N-OH 2.85Å; T858-Y880 WeakPolarHBondContact O-CE1 3.39Å; T858-Y880 PolarHBondContact O-OH 3.25Å; T858-Y880 VanDerWaalsContact O-OH 3.05Å; L860-Y880 HydrophobicContact CB-CD1 4.36Å; L860-Y880 HydrophobicContact CB-CE1 4.39Å; A877-Y880 PolarHBondContact O-N 2.99Å; Y880-S882 PolarHBondContact O-N 3.45Å; Y880-V884 HydrophobicContact CD1-CG2 3.7Å; Y880-V884 HydrophobicContact CG-CG2 4.31Å
881S88.3Confident86.5Confident71 Ų7129.2 Ų29.250%0.49717%0.169SC..SBendtrans-77.8-17-172.156.70000114.5E852 W910E852-S881 PolarHBondContact OE1-OG 3.49Å; E852-S881 VanDerWaalsContact OE2-CB 3.27Å; E852-S881 WeakPolarHBondContact OE2-CB 3.3Å; E852-S881 PolarHBondContact OE2-N 3.44Å; E852-S881 PolarHBondContact OE2-OG 3Å; S881-W910 WeakPolarHBondContact O-CZ2 3.46Å
882S90.9Very high86.1Confident13 Ų1334.8 Ų34.89%0.09119%0.189CC..SBendtrans-98.2172.1177.6-56.50000111.5T857 Y880 V884T857-S882 WeakPolarHBondContact CA-OG 3.37Å; Y880-S882 PolarHBondContact O-N 3.45Å; S882-V884 PolarHBondContact O-N 3.03Å
883P91.7Very high85.8Confident2 Ų234.9 Ų34.91%0.01319%0.19CC..  trans-55.5125.9-173.6-2532.1000113.7P859 L860 L900 W910P859-P883 WeakPolarHBondContact CA-O 3.46Å; P859-P883 HydrophobicContact CB-CB 4.27Å; P859-P883 HydrophobicContact CG-CG 4.45Å; L860-P883 PolarHBondContact N-O 2.79Å; P883-L900 HydrophobicContact CB-CD2 3.9Å; P883-L900 HydrophobicContact CG-CD2 4.23Å; P883-W910 HydrophobicContact CB-CG 4.39Å; P883-W910 HydrophobicContact CG-CB 4.46Å; P883-W910 HydrophobicContact CG-CD2 3.63Å; P883-W910 HydrophobicContact CG-CE3 3.95Å; P883-W910 HydrophobicContact CG-CG 3.85Å; P883-W910 HydrophobicContact CG-CZ2 4.38Å; P883-W910 HydrophobicContact CG-CZ3 4.44Å
884V94.5Very high85.4Confident8 Ų835.8 Ų35.85%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-119.8113.2171.4-177.40000108.8L860 I862 T872 I876 A877 Y880 S882 Y917L860-V884 HydrophobicContact CB-CG2 4.29Å; L860-V884 HydrophobicContact CD2-CG1 4.4Å; L860-V884 HydrophobicContact CD2-CG2 4.37Å; L860-V884 CarbonylContact O-C 3.56Å; L860-V884 VanDerWaalsContact O-CA 3.32Å; L860-V884 WeakPolarHBondContact O-CA 3.35Å; I862-V884 HydrophobicContact CG1-CG1 4.03Å; T872-V884 HydrophobicContact CG2-CG1 3.77Å; I876-V884 HydrophobicContact CB-CG1 4.48Å; I876-V884 HydrophobicContact CG2-CG1 3.9Å; A877-V884 HydrophobicContact CB-CB 4.06Å; A877-V884 HydrophobicContact CB-CG1 4.38Å; Y880-V884 HydrophobicContact CD1-CG2 3.7Å; Y880-V884 HydrophobicContact CG-CG2 4.31Å; S882-V884 PolarHBondContact O-N 3.03Å; V884-Y917 VanDerWaalsContact O-CE2 3.24Å; V884-Y917 WeakPolarHBondContact O-CE2 3.35Å
885V93.1Very high85.1Confident5 Ų539.3 Ų39.33%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-120.4129.8-172.4-171.30000110.8L860 L861 I862 V887 V896 L900 Y909 V913L860-V885 PolarHBondContact O-N 3.06Å; L861-V885 WeakPolarHBondContact CA-O 3.41Å; I862-V885 PolarHBondContact N-O 3.29Å; V885-V887 HydrophobicContact CG1-CG2 4.26Å; V885-V896 HydrophobicContact CB-CG1 4.24Å; V885-V896 HydrophobicContact CG1-CG1 3.89Å; V885-L900 HydrophobicContact CG2-CD1 4.3Å; V885-Y909 HydrophobicContact CG2-CE1 4.46Å; V885-V913 HydrophobicContact CG2-CG1 4.48Å
886H93.6Very high85.2Confident31 Ų3135.7 Ų35.714%0.14420%0.202CC..EExtended strand (participates in β ladder)trans-83.9123.7170.3-180-115.5000108.9I862 T867 K869 T872 Y917I862-H886 WeakPolarHBondContact O-CA 3.32Å; I862-H886 PolarHBondContact O-CD2 3.38Å; I862-H886 VanDerWaalsContact O-CD2 3.3Å; T867-H886 PolarHBondContact OG1-CD2 3.42Å; T867-H886 PolarHBondContact OG1-NE2 3.1Å; K869-H886 PolarHBondContact N-ND1 3.12Å; K869-H886 VanDerWaalsContact N-ND1 3.15Å; T872-H886 HydrophobicContact CG2-CB 4.14Å; H886-Y917 PolarHBondContact N-OH 3.37Å
887V88.4Confident85.1Confident15 Ų1535.7 Ų35.79%0.09120%0.202CC..  trans-114.1116.2178.4-176.90000109.2L861 I862 V885 D889 R892 V896L861-V887 HydrophobicContact CD2-CG2 3.71Å; L861-V887 HydrophobicContact CG-CG2 4.08Å; I862-V887 PolarHBondContact O-N 3.1Å; V885-V887 HydrophobicContact CG1-CG2 4.26Å; V887-D889 WeakPolarHBondContact CG1-O 3.43Å; V887-R892 HydrophobicContact CG1-CB 4.1Å; V887-V896 HydrophobicContact CG2-CB 4.35Å; V887-V896 HydrophobicContact CG2-CG1 4.12Å; V887-V896 HydrophobicContact CG2-CG2 4.22Å
888L77.8Confident84.6Confident122 Ų12237.1 Ų37.164%0.63921%0.21SC*.  trans-66.1-41.7-172.8-175.167.5000113
889D74.9Confident84.3Confident33 Ų3336.5 Ų36.518%0.17620%0.201CC..SBendtrans-153.3168.1-177.164.961.8000111.9V887 S891 R892 S893V887-D889 WeakPolarHBondContact CG1-O 3.43Å; D889-S891 PolarHBondContact O-N 3.22Å; D889-S891 WeakPolarHBondContact OD1-CA 3.46Å; D889-S891 VanDerWaalsContact OD1-CB 3.3Å; D889-S891 WeakPolarHBondContact OD1-CB 3.42Å; D889-S891 PolarHBondContact OD1-N 2.66Å; D889-S891 PolarHBondContact OD1-OG 3.45Å; D889-R892 PolarHBondContact O-N 3.13Å; D889-R892 PolarHBondContact OD1-N 3.01Å; D889-S893 PolarHBondContact O-N 3.13Å
890A73.2Confident84.1Confident9 Ų935.2 Ų35.27%0.07419%0.192CC..Hα-helixtrans-64.1-18.6-176.100000114.9I795 V796 V799 R892 S893I795-A890 HydrophobicContact CG2-CB 3.74Å; V796-A890 HydrophobicContact CB-CB 4.38Å; V796-A890 HydrophobicContact CG2-CB 3.67Å; V799-A890 HydrophobicContact CB-CB 4.36Å; V799-A890 WeakPolarHBondContact CG1-O 3.39Å; V799-A890 HydrophobicContact CG2-CB 4.13Å; A890-R892 VanDerWaalsContact C-N 3.34Å; A890-S893 PolarHBondContact O-OG 3.15Å
891S69.3Low83.7Confident40 Ų4037.3 Ų37.328%0.2820%0.204SC..Hα-helixtrans-72.1-33.6177.873.40000112.1D889D889-S891 PolarHBondContact O-N 3.22Å; D889-S891 WeakPolarHBondContact OD1-CA 3.46Å; D889-S891 VanDerWaalsContact OD1-CB 3.3Å; D889-S891 WeakPolarHBondContact OD1-CB 3.42Å; D889-S891 PolarHBondContact OD1-N 2.66Å; D889-S891 PolarHBondContact OD1-OG 3.45Å
892R75.4Confident83.5Confident153 Ų15337.1 Ų37.158%0.57720%0.197SC*.Hα-helixtrans-83.8-21.3179.9-62.4-172.5178.8-154.2-2.8112.9V887 D889 A890 V894 V895 V896V887-R892 HydrophobicContact CG1-CB 4.1Å; D889-R892 PolarHBondContact O-N 3.13Å; D889-R892 PolarHBondContact OD1-N 3.01Å; A890-R892 VanDerWaalsContact C-N 3.34Å; R892-V894 PolarHBondContact O-N 3.38Å; R892-V895 PolarHBondContact O-N 3.22Å; R892-V896 VanDerWaalsContact O-CG2 3.29Å; R892-V896 WeakPolarHBondContact O-CG2 3.37Å; R892-V896 PolarHBondContact O-N 3.49Å; R892-V896 VanDerWaalsContact O-N 3.09Å
893S82.8Confident82.7Confident2 Ų245.4 Ų45.41%0.01424%0.235CC..Hα-helixtrans-61-32.7-178.260.90000112.9D889 A890 C897D889-S893 PolarHBondContact O-N 3.13Å; A890-S893 PolarHBondContact O-OG 3.15Å; S893-C897 VanDerWaalsContact O-CB 3.31Å; S893-C897 WeakPolarHBondContact O-CB 3.06Å; S893-C897 PolarHBondContact O-N 3.28Å; S893-C897 PolarHBondContact O-SG 3.15Å
894V78.6Confident82Confident19 Ų1953.6 Ų53.612%0.11527%0.273CS..Hα-helixtrans-65.8-52.3178.3-177.60000110.8V799 L800 N803 F805 R892 V896 C897 S898V799-V894 HydrophobicContact CG1-CG2 3.61Å; L800-V894 HydrophobicContact CD2-CG2 4.41Å; N803-V894 HydrophobicContact CB-CG1 3.73Å; N803-V894 HydrophobicContact CB-CG2 4.38Å; N803-V894 VanDerWaalsContact CG-CG1 3.45Å; N803-V894 WeakPolarHBondContact ND2-CG2 3.43Å; F805-V894 HydrophobicContact CE2-CG1 4.46Å; R892-V894 PolarHBondContact O-N 3.38Å; V894-V896 VanDerWaalsContact C-N 3.32Å; V894-V896 PolarHBondContact O-N 2.86Å; V894-C897 PolarHBondContact O-N 3.11Å; V894-S898 WeakPolarHBondContact O-CB 3.11Å; V894-S898 PolarHBondContact O-N 2.88Å; V894-S898 PolarHBondContact O-OG 2.88Å
895V78.7Confident81.2Confident84 Ų8457.8 Ų57.851%0.50929%0.293SS..Hα-helixtrans-60.1-45.5-178.6-178.60000110.6R892 S898 Q899R892-V895 PolarHBondContact O-N 3.22Å; V895-S898 PolarHBondContact O-N 3.19Å; V895-Q899 HydrophobicContact CG1-CG 4.43Å; V895-Q899 WeakPolarHBondContact O-CB 3.24Å; V895-Q899 VanDerWaalsContact O-CG 3.31Å; V895-Q899 WeakPolarHBondContact O-CG 3.4Å; V895-Q899 PolarHBondContact O-N 3.15Å
896V84.5Confident80.7Confident12 Ų1261.8 Ų61.87%0.07331%0.308CS..Hα-helixtrans-62.7-46.8178.8174.20000111.3L861 V885 V887 R892 V894 Q899 L900 Y909L861-V896 HydrophobicContact CD2-CG1 4.34Å; V885-V896 HydrophobicContact CB-CG1 4.24Å; V885-V896 HydrophobicContact CG1-CG1 3.89Å; V887-V896 HydrophobicContact CG2-CB 4.35Å; V887-V896 HydrophobicContact CG2-CG1 4.12Å; V887-V896 HydrophobicContact CG2-CG2 4.22Å; R892-V896 VanDerWaalsContact O-CG2 3.29Å; R892-V896 WeakPolarHBondContact O-CG2 3.37Å; R892-V896 PolarHBondContact O-N 3.49Å; R892-V896 VanDerWaalsContact O-N 3.09Å; V894-V896 VanDerWaalsContact C-N 3.32Å; V894-V896 PolarHBondContact O-N 2.86Å; V896-Q899 PolarHBondContact O-N 3.09Å; V896-L900 HydrophobicContact CG1-CD1 3.75Å; V896-L900 HydrophobicContact CG1-CG 4.4Å; V896-L900 WeakPolarHBondContact O-CB 3.42Å; V896-L900 VanDerWaalsContact O-CG 3.23Å; V896-L900 WeakPolarHBondContact O-CG 3.44Å; V896-L900 PolarHBondContact O-N 3.26Å; V896-Y909 HydrophobicContact CG1-CE1 4.24Å
897C86.5Confident80.3Confident0 Ų067.4 Ų67.40%033%0.334CS..Hα-helixtrans-63.8-42177.6-72.80000112I779 L800 F805 S893 V894 L900 L901I779-C897 HydrophobicContact CD1-CB 4.29Å; L800-C897 HydrophobicContact CD2-CB 4.32Å; F805-C897 HydrophobicContact CE1-CB 4.25Å; F805-C897 HydrophobicContact CE2-CB 4.44Å; F805-C897 HydrophobicContact CZ-CB 3.96Å; S893-C897 VanDerWaalsContact O-CB 3.31Å; S893-C897 WeakPolarHBondContact O-CB 3.06Å; S893-C897 PolarHBondContact O-N 3.28Å; S893-C897 PolarHBondContact O-SG 3.15Å; V894-C897 PolarHBondContact O-N 3.11Å; C897-L900 PolarHBondContact O-N 3.48Å; C897-L901 WeakPolarHBondContact O-CB 3.32Å; C897-L901 WeakPolarHBondContact O-CD1 3.14Å; C897-L901 WeakPolarHBondContact O-CG 3.24Å; C897-L901 PolarHBondContact O-N 2.89Å
898S82.4Confident80.1Confident49 Ų4972.8 Ų72.834%0.34336%0.358SS..Hα-helixtrans-63.2-44.1176.8-64.30000112.2V894 V895 L900 L901 D902V894-S898 WeakPolarHBondContact O-CB 3.11Å; V894-S898 PolarHBondContact O-N 2.88Å; V894-S898 PolarHBondContact O-OG 2.88Å; V895-S898 PolarHBondContact O-N 3.19Å; S898-L900 PolarHBondContact O-N 3.2Å; S898-L901 PolarHBondContact O-N 3.37Å; S898-D902 WeakPolarHBondContact O-CB 3.34Å; S898-D902 PolarHBondContact O-N 3.36Å; S898-D902 VanDerWaalsContact O-N 3.14Å
899Q83.4Confident80.4Confident58 Ų5869 Ų6927%0.27134%0.336SS..Hα-helixtrans-65.3-36.9177.2-73.6175.9-38.800112.7V895 V896 L901 R906 Y909V895-Q899 HydrophobicContact CG1-CG 4.43Å; V895-Q899 WeakPolarHBondContact O-CB 3.24Å; V895-Q899 VanDerWaalsContact O-CG 3.31Å; V895-Q899 WeakPolarHBondContact O-CG 3.4Å; V895-Q899 PolarHBondContact O-N 3.15Å; V896-Q899 PolarHBondContact O-N 3.09Å; Q899-L901 VanDerWaalsContact C-N 3.29Å; Q899-L901 PolarHBondContact O-N 2.81Å; Q899-R906 WeakPolarHBondContact O-CA 3.47Å; Q899-R906 PolarHBondContact O-N 3.49Å; Q899-Y909 HydrophobicContact CB-CD1 4.1Å; Q899-Y909 HydrophobicContact CB-CG 4.14Å
900L85.7Confident81Confident2 Ų270.5 Ų70.51%0.0134%0.339CS..Hα-helixtrans-72.8-20.3178.9-73.8171.4000113.8P859 L861 P883 V885 V896 C897 S898 R906 Y909P859-L900 HydrophobicContact CB-CD1 3.96Å; P859-L900 HydrophobicContact CB-CD2 4.48Å; P859-L900 HydrophobicContact CG-CB 4.49Å; L861-L900 HydrophobicContact CD1-CD1 4.22Å; P883-L900 HydrophobicContact CB-CD2 3.9Å; P883-L900 HydrophobicContact CG-CD2 4.23Å; V885-L900 HydrophobicContact CG2-CD1 4.3Å; V896-L900 HydrophobicContact CG1-CD1 3.75Å; V896-L900 HydrophobicContact CG1-CG 4.4Å; V896-L900 WeakPolarHBondContact O-CB 3.42Å; V896-L900 VanDerWaalsContact O-CG 3.23Å; V896-L900 WeakPolarHBondContact O-CG 3.44Å; V896-L900 PolarHBondContact O-N 3.26Å; C897-L900 PolarHBondContact O-N 3.48Å; S898-L900 PolarHBondContact O-N 3.2Å; L900-R906 WeakPolarHBondContact O-CD 3.12Å; L900-Y909 HydrophobicContact CD2-CD1 4Å; L900-Y909 HydrophobicContact CD2-CE1 4.24Å; L900-Y909 HydrophobicContact CG-CD1 4.26Å; L900-Y909 HydrophobicContact CG-CE1 4.24Å
901L84.8Confident81.6Confident56 Ų5676.3 Ų76.329%0.29336%0.364SS..Hα-helixtrans-100.5-13.1-179-66170.1000113.2F805 D829 V830 C897 S898 Q899F805-L901 HydrophobicContact CD1-CD1 4.33Å; F805-L901 HydrophobicContact CE1-CD1 3.53Å; F805-L901 HydrophobicContact CZ-CD1 4.4Å; D829-L901 HydrophobicContact CB-CD2 3.48Å; D829-L901 VanDerWaalsContact CB-CD2 3.48Å; V830-L901 HydrophobicContact CG2-CD1 4.45Å; V830-L901 HydrophobicContact CG2-CD2 4.17Å; V830-L901 HydrophobicContact CG2-CG 4.38Å; C897-L901 WeakPolarHBondContact O-CB 3.32Å; C897-L901 WeakPolarHBondContact O-CD1 3.14Å; C897-L901 WeakPolarHBondContact O-CG 3.24Å; C897-L901 PolarHBondContact O-N 2.89Å; S898-L901 PolarHBondContact O-N 3.37Å; Q899-L901 VanDerWaalsContact C-N 3.29Å; Q899-L901 PolarHBondContact O-N 2.81Å
902D82.9Confident82.3Confident66 Ų6678.7 Ų78.735%0.35337%0.374SS..  trans-78.4126.4174.8-172.5-61.7000110.7S898 E904 M905 R906S898-D902 WeakPolarHBondContact O-CB 3.34Å; S898-D902 PolarHBondContact O-N 3.36Å; S898-D902 VanDerWaalsContact O-N 3.14Å; D902-E904 VanDerWaalsContact C-N 3.32Å; D902-E904 PolarHBondContact O-N 2.54Å; D902-E904 PolarHBondContact OD1-N 3.46Å; D902-M905 HydrophobicContact CB-CB 4.12Å; D902-M905 HydrophobicContact CB-CG 4.49Å; D902-M905 PolarHBondContact OD1-N 2.89Å; D902-R906 WeakPolarHBondContact O-CB 3.4Å; D902-R906 PolarHBondContact O-N 3.3Å
903E75.1Confident82.8Confident188 Ų18872 Ų7288%0.87935%0.35SS*.THydrogen-bonded Turntrans-66.9-28-174.9-67.4-172.9166.300113.8
904E77.1Confident83Confident174 Ų17476.7 Ų76.781%0.81337%0.37SS*.THydrogen-bonded Turntrans-88-42.1179.2-66.8-173.8170.100111.3D902D902-E904 VanDerWaalsContact C-N 3.32Å; D902-E904 PolarHBondContact O-N 2.54Å; D902-E904 PolarHBondContact OD1-N 3.46Å
905M76.3Confident83.3Confident96 Ų9682.6 Ų82.647%0.47340%0.397SS..Hα-helixtrans-83.4-20-175.1-60.6-168.9178.400114.2D902 E907 Y909D902-M905 HydrophobicContact CB-CB 4.12Å; D902-M905 HydrophobicContact CB-CG 4.49Å; D902-M905 PolarHBondContact OD1-N 2.89Å; M905-E907 PolarHBondContact O-N 2.99Å; M905-Y909 WeakPolarHBondContact O-CB 3.48Å; M905-Y909 PolarHBondContact O-N 3.32Å
906R84.3Confident83.7Confident88 Ų8882.7 Ų82.733%0.33239%0.392SS..Hα-helixtrans-61.7-42.3-175.4173.9-173.9174.8173.21.3112.9Q899 L900 D902 W910Q899-R906 WeakPolarHBondContact O-CA 3.47Å; Q899-R906 PolarHBondContact O-N 3.49Å; L900-R906 WeakPolarHBondContact O-CD 3.12Å; D902-R906 WeakPolarHBondContact O-CB 3.4Å; D902-R906 PolarHBondContact O-N 3.3Å; R906-W910 VanDerWaalsContact O-CB 3.25Å; R906-W910 WeakPolarHBondContact O-CB 3.3Å; R906-W910 PolarHBondContact O-N 3.31Å; R906-W910 VanDerWaalsContact O-N 3.07Å
907E84.1Confident84Confident149 Ų14982.7 Ų82.770%0.69639%0.39SS*.Hα-helixtrans-69.5-48-178.2-69.1-163.3161.300111.2M905 Y909 W910 E911M905-E907 PolarHBondContact O-N 2.99Å; E907-Y909 PolarHBondContact O-N 2.98Å; E907-W910 PolarHBondContact O-N 3.25Å; E907-E911 PolarHBondContact O-N 3.23Å
908E84.9Confident84.1Confident129 Ų12987.2 Ų87.260%0.60341%0.411SS*.Hα-helixtrans-58.5-49.9176.9-175.3177.4-16700111.1W910 E911 D912E908-W910 VanDerWaalsContact C-N 3.27Å; E908-W910 PolarHBondContact O-N 3.1Å; E908-E911 PolarHBondContact O-N 2.96Å; E908-D912 PolarHBondContact O-N 3.17Å
909Y83.8Confident84.2Confident43 Ų4390.8 Ų90.817%0.16942%0.423CS..Hα-helixtrans-62.7-34.6179.4-177.5-114.1000112.7V885 V896 Q899 L900 M905 E907 V913V885-Y909 HydrophobicContact CG2-CE1 4.46Å; V896-Y909 HydrophobicContact CG1-CE1 4.24Å; Q899-Y909 HydrophobicContact CB-CD1 4.1Å; Q899-Y909 HydrophobicContact CB-CG 4.14Å; L900-Y909 HydrophobicContact CD2-CD1 4Å; L900-Y909 HydrophobicContact CD2-CE1 4.24Å; L900-Y909 HydrophobicContact CG-CD1 4.26Å; L900-Y909 HydrophobicContact CG-CE1 4.24Å; M905-Y909 WeakPolarHBondContact O-CB 3.48Å; M905-Y909 PolarHBondContact O-N 3.32Å; E907-Y909 PolarHBondContact O-N 2.98Å; Y909-V913 HydrophobicContact CD1-CG2 4.5Å; Y909-V913 HydrophobicContact CD2-CG2 4.46Å; Y909-V913 HydrophobicContact CE1-CG2 4.05Å; Y909-V913 HydrophobicContact CE2-CG2 4Å; Y909-V913 VanDerWaalsContact O-CG2 3.28Å; Y909-V913 WeakPolarHBondContact O-CG2 3.24Å; Y909-V913 PolarHBondContact O-N 3.48Å; Y909-V913 VanDerWaalsContact O-N 3.1Å
910W86.9Confident84.1Confident64 Ų6488.9 Ų88.924%0.24242%0.415CS..Hα-helixtrans-71.2-38.6176.9-176.516.5000112.2S881 P883 R906 E907 E908 V913 K914S881-W910 WeakPolarHBondContact O-CZ2 3.46Å; P883-W910 HydrophobicContact CB-CG 4.39Å; P883-W910 HydrophobicContact CG-CB 4.46Å; P883-W910 HydrophobicContact CG-CD2 3.63Å; P883-W910 HydrophobicContact CG-CE3 3.95Å; P883-W910 HydrophobicContact CG-CG 3.85Å; P883-W910 HydrophobicContact CG-CZ2 4.38Å; P883-W910 HydrophobicContact CG-CZ3 4.44Å; R906-W910 VanDerWaalsContact O-CB 3.25Å; R906-W910 WeakPolarHBondContact O-CB 3.3Å; R906-W910 PolarHBondContact O-N 3.31Å; R906-W910 VanDerWaalsContact O-N 3.07Å; E907-W910 PolarHBondContact O-N 3.25Å; E908-W910 VanDerWaalsContact C-N 3.27Å; E908-W910 PolarHBondContact O-N 3.1Å; W910-V913 PolarHBondContact O-N 2.89Å; W910-K914 VanDerWaalsContact CE2-CE 3.47Å; W910-K914 VanDerWaalsContact CZ2-NZ 3.3Å; W910-K914 WeakPolarHBondContact O-CG 3.43Å; W910-K914 PolarHBondContact O-N 3.17Å
911E85.6Confident84Confident130 Ų13091.5 Ų91.561%0.60743%0.425SS*.Hα-helixtrans-61.9-46.2173.6-73.5-170.4158.300111.3E907 E908 V913 K914 E915E907-E911 PolarHBondContact O-N 3.23Å; E908-E911 PolarHBondContact O-N 2.96Å; E911-V913 PolarHBondContact O-N 3.34Å; E911-K914 WeakPolarHBondContact O-CB 3.33Å; E911-K914 PolarHBondContact O-N 2.86Å; E911-K914 VanDerWaalsContact O-N 3.07Å; E911-E915 PolarHBondContact O-N 2.93Å
912D84.4Confident83.8Confident91 Ų9194.3 Ų94.349%0.48744%0.436SS..Hα-helixtrans-56.6-47.3176.1-74.8-12.2000112.2E908 K914 E915 E916E908-D912 PolarHBondContact O-N 3.17Å; D912-K914 VanDerWaalsContact C-N 3.29Å; D912-K914 PolarHBondContact O-N 2.82Å; D912-E915 PolarHBondContact O-N 3.47Å; D912-E916 VanDerWaalsContact O-CB 3.29Å; D912-E916 WeakPolarHBondContact O-CB 3.29Å; D912-E916 PolarHBondContact O-N 3.1Å
913V86.3Confident83.4Confident11 Ų1197.1 Ų97.17%0.06745%0.447CS..Hα-helixtrans-64.9-34.4178.7171.90000111.4V885 Y909 W910 E911 Y917V885-V913 HydrophobicContact CG2-CG1 4.48Å; Y909-V913 HydrophobicContact CD1-CG2 4.5Å; Y909-V913 HydrophobicContact CD2-CG2 4.46Å; Y909-V913 HydrophobicContact CE1-CG2 4.05Å; Y909-V913 HydrophobicContact CE2-CG2 4Å; Y909-V913 VanDerWaalsContact O-CG2 3.28Å; Y909-V913 WeakPolarHBondContact O-CG2 3.24Å; Y909-V913 PolarHBondContact O-N 3.48Å; Y909-V913 VanDerWaalsContact O-N 3.1Å; W910-V913 PolarHBondContact O-N 2.89Å; E911-V913 PolarHBondContact O-N 3.34Å; V913-Y917 HydrophobicContact CG1-CD1 4.37Å; V913-Y917 HydrophobicContact CG1-CD2 4.19Å; V913-Y917 HydrophobicContact CG1-CE1 4.15Å; V913-Y917 HydrophobicContact CG1-CE2 3.97Å; V913-Y917 HydrophobicContact CG1-CG 4.39Å; V913-Y917 VanDerWaalsContact O-CB 3.3Å; V913-Y917 WeakPolarHBondContact O-CB 3.37Å; V913-Y917 VanDerWaalsContact O-CG 3.31Å; V913-Y917 PolarHBondContact O-N 3.5Å
914K87Confident83.2Confident102 Ų10290.5 Ų90.544%0.44342%0.416SS..Hα-helixtrans-66.3-46.7176.2-86.8171169.1156.60111.6W910 E911 D912 Y917 E918W910-K914 VanDerWaalsContact CE2-CE 3.47Å; W910-K914 VanDerWaalsContact CZ2-NZ 3.3Å; W910-K914 WeakPolarHBondContact O-CG 3.43Å; W910-K914 PolarHBondContact O-N 3.17Å; E911-K914 WeakPolarHBondContact O-CB 3.33Å; E911-K914 PolarHBondContact O-N 2.86Å; E911-K914 VanDerWaalsContact O-N 3.07Å; D912-K914 VanDerWaalsContact C-N 3.29Å; D912-K914 PolarHBondContact O-N 2.82Å; K914-Y917 PolarHBondContact O-N 3.29Å; K914-E918 PolarHBondContact O-N 3.47Å
915E85.7Confident83Confident142 Ų14285.9 Ų85.966%0.66439%0.392SS*.Hα-helixtrans-62.3-46.9177.6-69.3-169.2169.900110.8E911 D912 Y917 E918 E919E911-E915 PolarHBondContact O-N 2.93Å; D912-E915 PolarHBondContact O-N 3.47Å; E915-Y917 VanDerWaalsContact C-N 3.28Å; E915-Y917 PolarHBondContact O-N 3.01Å; E915-E918 PolarHBondContact O-N 3.1Å; E915-E918 VanDerWaalsContact O-N 3.11Å; E915-E919 PolarHBondContact O-N 3.07Å
916E86.9Confident82.7Confident87 Ų8784.6 Ų84.641%0.40739%0.387SS..Hα-helixtrans-59.5-39178.2-170.8-174.1-151.600112K869 D912 V920K869-E916 VanDerWaalsContact CE-OE1 3.28Å; K869-E916 WeakPolarHBondContact CE-OE1 3.23Å; K869-E916 WeakPolarHBondContact CE-OE2 3.44Å; K869-E916 IonicContact NZ-OE1 2.66Å; K869-E916 PolarHBondContact NZ-OE1 3.18Å; K869-E916 IonicContact NZ-OE2 3.53Å; D912-E916 VanDerWaalsContact O-CB 3.29Å; D912-E916 WeakPolarHBondContact O-CB 3.29Å; D912-E916 PolarHBondContact O-N 3.1Å; E916-V920 VanDerWaalsContact O-CG2 3.25Å; E916-V920 WeakPolarHBondContact O-CG2 3.09Å; E916-V920 PolarHBondContact O-N 2.99Å
917Y90.2Very high81.8Confident12 Ų1282.7 Ų82.75%0.04739%0.387CS..Hα-helixtrans-77-26.6177.6-78.611.1000113.3K869 T872 A873 A877 V884 H886 V913 K914 E915 R921K869-Y917 HydrophobicContact CG-CD1 4.46Å; K869-Y917 HydrophobicContact CG-CE1 3.83Å; T872-Y917 HydrophobicContact CG2-CE2 4.25Å; A873-Y917 HydrophobicContact CB-CD1 3.9Å; A873-Y917 HydrophobicContact CB-CD2 3.82Å; A873-Y917 HydrophobicContact CB-CE1 4.45Å; A873-Y917 HydrophobicContact CB-CE2 4.37Å; A873-Y917 HydrophobicContact CB-CG 3.55Å; A877-Y917 HydrophobicContact CB-CD2 3.96Å; A877-Y917 HydrophobicContact CB-CE2 4.16Å; V884-Y917 VanDerWaalsContact O-CE2 3.24Å; V884-Y917 WeakPolarHBondContact O-CE2 3.35Å; H886-Y917 PolarHBondContact N-OH 3.37Å; V913-Y917 HydrophobicContact CG1-CD1 4.37Å; V913-Y917 HydrophobicContact CG1-CD2 4.19Å; V913-Y917 HydrophobicContact CG1-CE1 4.15Å; V913-Y917 HydrophobicContact CG1-CE2 3.97Å; V913-Y917 HydrophobicContact CG1-CG 4.39Å; V913-Y917 VanDerWaalsContact O-CB 3.3Å; V913-Y917 WeakPolarHBondContact O-CB 3.37Å; V913-Y917 VanDerWaalsContact O-CG 3.31Å; V913-Y917 PolarHBondContact O-N 3.5Å; K914-Y917 PolarHBondContact O-N 3.29Å; E915-Y917 VanDerWaalsContact C-N 3.28Å; E915-Y917 PolarHBondContact O-N 3.01Å; Y917-R921 WeakPolarHBondContact O-CB 3.35Å; Y917-R921 VanDerWaalsContact O-CG 3.3Å; Y917-R921 WeakPolarHBondContact O-CG 3.45Å; Y917-R921 PolarHBondContact O-N 3.29Å; Y917-R921 PolarHBondContact O-NE 3.17Å
918E87.8Confident80.7Confident94 Ų9478 Ų7844%0.43937%0.367SS..Hα-helixtrans-68-46.7172.5-168.160-156.900111K914 E915 V920 R921 Q922K914-E918 PolarHBondContact O-N 3.47Å; E915-E918 PolarHBondContact O-N 3.1Å; E915-E918 VanDerWaalsContact O-N 3.11Å; E918-V920 PolarHBondContact O-N 3.01Å; E918-R921 WeakPolarHBondContact O-CB 3.25Å; E918-R921 PolarHBondContact O-N 3Å; E918-R921 IonicContact OE2-CZ 2.81Å; E918-R921 IonicContact OE2-NE 2.78Å; E918-R921 PolarHBondContact OE2-NE 3.15Å; E918-R921 IonicContact OE2-NH2 3.82Å; E918-R921 PolarHBondContact OE2-NH2 2.62Å; E918-Q922 WeakPolarHBondContact O-CB 3.46Å; E918-Q922 PolarHBondContact O-N 3.06Å
919E84.8Confident79.5Confident124 Ų12479.1 Ų79.158%0.57937%0.37SS*.Hα-helixtrans-57.6-49.9175.7-173.8178.1-159.300111.2E915 R921 Q922 E923E915-E919 PolarHBondContact O-N 3.07Å; E919-R921 VanDerWaalsContact C-N 3.28Å; E919-R921 PolarHBondContact O-N 3.49Å; E919-Q922 PolarHBondContact O-N 2.75Å; E919-Q922 VanDerWaalsContact O-N 3.1Å; E919-E923 WeakPolarHBondContact O-CG 3.15Å; E919-E923 PolarHBondContact O-N 2.82Å
920V81.4Confident78.1Confident18 Ų1883.8 Ų83.811%0.10940%0.397CS..Hα-helixtrans-61.2-36.3178.11710000112.2T870 A873 E916 E918 H924T870-V920 HydrophobicContact CG2-CG1 4.16Å; A873-V920 HydrophobicContact CB-CG1 4.3Å; E916-V920 VanDerWaalsContact O-CG2 3.25Å; E916-V920 WeakPolarHBondContact O-CG2 3.09Å; E916-V920 PolarHBondContact O-N 2.99Å; E918-V920 PolarHBondContact O-N 3.01Å; V920-H924 VanDerWaalsContact O-CB 3.28Å; V920-H924 WeakPolarHBondContact O-CB 3.42Å; V920-H924 PolarHBondContact O-N 2.9Å
921R83.4Confident77.1Confident57 Ų5788.1 Ų88.122%0.21541%0.414CS..Hα-helixtrans-65.6-45.9174.4-84.8-172.9-70.6-164.5-0.3110.7A873 V874 Y917 E918 E919 H924 Y925A873-R921 HydrophobicContact CB-CG 4.47Å; A873-R921 WeakPolarHBondContact O-CD 3.45Å; V874-R921 HydrophobicContact CG2-CG 3.88Å; Y917-R921 WeakPolarHBondContact O-CB 3.35Å; Y917-R921 VanDerWaalsContact O-CG 3.3Å; Y917-R921 WeakPolarHBondContact O-CG 3.45Å; Y917-R921 PolarHBondContact O-N 3.29Å; Y917-R921 PolarHBondContact O-NE 3.17Å; E918-R921 WeakPolarHBondContact O-CB 3.25Å; E918-R921 PolarHBondContact O-N 3Å; E918-R921 IonicContact OE2-CZ 2.81Å; E918-R921 IonicContact OE2-NE 2.78Å; E918-R921 PolarHBondContact OE2-NE 3.15Å; E918-R921 IonicContact OE2-NH2 3.82Å; E918-R921 PolarHBondContact OE2-NH2 2.62Å; E919-R921 VanDerWaalsContact C-N 3.28Å; E919-R921 PolarHBondContact O-N 3.49Å; R921-H924 WeakPolarHBondContact O-CB 3.27Å; R921-H924 PolarHBondContact O-N 3.47Å; R921-Y925 HydrophobicContact CB-CD2 4.37Å; R921-Y925 HydrophobicContact CB-CE2 4.09Å; R921-Y925 HydrophobicContact CG-CE2 4.47Å; R921-Y925 WeakPolarHBondContact O-CD2 3.36Å; R921-Y925 PolarHBondContact O-N 3.1Å
922Q80Confident76.7Confident116 Ų11690.9 Ų90.954%0.54242%0.418SS..Hα-helixtrans-64.2-47.4-177.4-159.1161.85.900111.3E918 E919 H924 Y925 D926E918-Q922 WeakPolarHBondContact O-CB 3.46Å; E918-Q922 PolarHBondContact O-N 3.06Å; E919-Q922 PolarHBondContact O-N 2.75Å; E919-Q922 VanDerWaalsContact O-N 3.1Å; Q922-H924 VanDerWaalsContact C-N 3.31Å; Q922-H924 PolarHBondContact O-N 3.01Å; Q922-Y925 PolarHBondContact O-N 3.09Å; Q922-D926 WeakPolarHBondContact O-CB 3.49Å; Q922-D926 PolarHBondContact O-N 2.8Å
923E74.6Confident76.7Confident124 Ų12489 Ų8958%0.57941%0.405SS*.Hα-helixtrans-56.8-42.9172.1-71.5-173.3158.600112.2E919 D926 S927E919-E923 WeakPolarHBondContact O-CG 3.15Å; E919-E923 PolarHBondContact O-N 2.82Å; E923-D926 PolarHBondContact O-N 3.3Å; E923-S927 WeakPolarHBondContact O-CB 2.98Å; E923-S927 PolarHBondContact O-N 3.35Å
924H72.2Confident76.8Confident49 Ų4989.1 Ų89.123%0.22741%0.405CS..Hα-helixtrans-61.5-48.1177.9-177.467.2000111.5T870 V874 V920 R921 Q922 S927 L928T870-H924 HydrophobicContact CG2-CB 4.38Å; V874-H924 HydrophobicContact CG2-CB 4.24Å; V920-H924 VanDerWaalsContact O-CB 3.28Å; V920-H924 WeakPolarHBondContact O-CB 3.42Å; V920-H924 PolarHBondContact O-N 2.9Å; R921-H924 WeakPolarHBondContact O-CB 3.27Å; R921-H924 PolarHBondContact O-N 3.47Å; Q922-H924 VanDerWaalsContact C-N 3.31Å; Q922-H924 PolarHBondContact O-N 3.01Å; H924-S927 PolarHBondContact O-N 3.36Å; H924-S927 PolarHBondContact O-OG 3.42Å; H924-L928 WeakPolarHBondContact O-CG 3.49Å; H924-L928 PolarHBondContact O-N 2.93Å
925Y71.5Confident77Confident78 Ų7886.6 Ų86.631%0.30640%0.399SS..Hα-helixtrans-67.7-34.8179.9-69-55.9000112.9R921 Q922 L928 E1268R921-Y925 HydrophobicContact CB-CD2 4.37Å; R921-Y925 HydrophobicContact CB-CE2 4.09Å; R921-Y925 HydrophobicContact CG-CE2 4.47Å; R921-Y925 WeakPolarHBondContact O-CD2 3.36Å; R921-Y925 PolarHBondContact O-N 3.1Å; Q922-Y925 PolarHBondContact O-N 3.09Å; Y925-L928 HydrophobicContact CD1-CD1 4.27Å; Y925-L928 PolarHBondContact O-N 3.01Å; Y925-E1268 VanDerWaalsContact CE1-OE1 3.29Å; Y925-E1268 WeakPolarHBondContact CE1-OE1 3.44Å
926D70.8Confident77.4Confident69 Ų6980 Ų8037%0.36937%0.368SS..Hα-helixtrans-70.5-38.4175.6-70.2-23.7000111.2Q922 E923 L928 K929 D930Q922-D926 WeakPolarHBondContact O-CB 3.49Å; Q922-D926 PolarHBondContact O-N 2.8Å; E923-D926 PolarHBondContact O-N 3.3Å; D926-L928 PolarHBondContact O-N 2.83Å; D926-K929 WeakPolarHBondContact O-CB 3.47Å; D926-K929 PolarHBondContact O-N 2.87Å; D926-K929 IonicContact OD1-NZ 3.23Å; D926-K929 PolarHBondContact OD1-NZ 3.47Å; D926-D930 PolarHBondContact O-N 3.29Å
927S66.1Low77.6Confident48 Ų4878.9 Ų78.934%0.33637%0.37SS..Hα-helixtrans-62.3-24.4173.881.20000114.2E923 H924E923-S927 WeakPolarHBondContact O-CB 2.98Å; E923-S927 PolarHBondContact O-N 3.35Å; H924-S927 PolarHBondContact O-N 3.36Å; H924-S927 PolarHBondContact O-OG 3.42Å
928L60.2Low77.7Confident51 Ų5182.1 Ų82.127%0.26739%0.386SS..Hα-helixtrans-76.7-26.7175-71.7171.3000112.4H924 Y925 D926H924-L928 WeakPolarHBondContact O-CG 3.49Å; H924-L928 PolarHBondContact O-N 2.93Å; Y925-L928 HydrophobicContact CD1-CD1 4.27Å; Y925-L928 PolarHBondContact O-N 3.01Å; D926-L928 PolarHBondContact O-N 2.83Å
929K60.2Low77.9Confident152 Ų15277.7 Ų77.766%0.66137%0.365SS*.Hα-helixtrans-76.2-30.2179.1-65.5171.5-168.1155.60112.5D926D926-K929 WeakPolarHBondContact O-CB 3.47Å; D926-K929 PolarHBondContact O-N 2.87Å; D926-K929 IonicContact OD1-NZ 3.23Å; D926-K929 PolarHBondContact OD1-NZ 3.47Å
930D55.3Low78.3Confident141 Ų14175.7 Ų75.775%0.75435%0.352SS*.Hα-helixtrans-83.5-16.3-177.3-74.9-22.2000114.1D926D926-D930 PolarHBondContact O-N 3.29Å
931R64.1Low78.8Confident155 Ų15581.7 Ų81.759%0.58538%0.379SS*.  trans-92.5114.5-178.5-70.9-176.1-179-175.41.9112.1Y933R931-Y933 HydrophobicContact CB-CE2 4.34Å
932R78.2Confident79.1Confident187 Ų18784.4 Ų84.471%0.70639%0.393SS*.  trans-83.8139.7171.2-66.2-178.9-178.1-177.22.8110.5E1075R932-E1075 HydrophobicContact CB-CB 4.14Å; R932-E1075 WeakPolarHBondContact CB-OE2 3.29Å; R932-E1075 VanDerWaalsContact CD-OE2 3.31Å; R932-E1075 WeakPolarHBondContact CD-OE2 3.47Å; R932-E1075 VanDerWaalsContact O-CB 3.25Å; R932-E1075 WeakPolarHBondContact O-CB 3.32Å; R932-E1075 PolarHBondContact O-N 2.83Å
933Y85.3Confident79.7Confident53 Ų5379.5 Ų79.521%0.20837%0.372CS..BIsolated β-bridgetrans-116.7138.4177-62.9-83.9000110R931 Q1073 A1074 K1237 T1239R931-Y933 HydrophobicContact CB-CE2 4.34Å; Y933-Q1073 CarbonylContact C-O 3.56Å; Y933-Q1073 VanDerWaalsContact CA-O 3.3Å; Y933-Q1073 WeakPolarHBondContact CA-O 3.34Å; Y933-Q1073 HydrophobicContact CD1-CB 4.38Å; Y933-A1074 HydrophobicContact CD1-CB 4.36Å; Y933-A1074 HydrophobicContact CE1-CB 4.25Å; Y933-K1237 HydrophobicContact CE1-CB 3.75Å; Y933-K1237 WeakPolarHBondContact OH-CB 3.49Å; Y933-T1239 HydrophobicContact CD1-CG2 4.36Å; Y933-T1239 HydrophobicContact CG-CG2 3.94Å
934L88.2Confident80.5Confident12 Ų1275.1 Ų75.16%0.06335%0.352CS..  trans-76.7144171.8-64.8-174.1000110.8E938 K942 Q1073 E1075 F1084L934-E938 HydrophobicContact CB-CB 4.49Å; L934-K942 HydrophobicContact CD1-CD 4.22Å; L934-Q1073 PolarHBondContact N-O 3.27Å; L934-Q1073 PolarHBondContact O-NE2 2.93Å; L934-E1075 HydrophobicContact CD2-CG 4.34Å; L934-F1084 HydrophobicContact CD1-CD1 4.49Å; L934-F1084 HydrophobicContact CD1-CE1 3.66Å; L934-F1084 HydrophobicContact CD1-CE2 3.76Å; L934-F1084 HydrophobicContact CD1-CZ 3.25Å; L934-F1084 HydrophobicContact CG-CE1 4.27Å; L934-F1084 HydrophobicContact CG-CZ 4.17Å
935P91.2Very high81.2Confident50 Ų5080 Ų8033%0.32538%0.375SS..  trans-53.3145.5165.6-22.833000111S937 E938 A939P935-S937 PolarHBondContact O-N 2.91Å; P935-E938 HydrophobicContact CB-CG 4.36Å; P935-E938 HydrophobicContact CG-CG 4.32Å; P935-E938 PolarHBondContact O-N 3.44Å; P935-A939 PolarHBondContact O-N 2.87Å
936L92.5Very high82Confident2 Ų277.3 Ų77.31%0.0137%0.366CS..Hα-helixtrans-58.3-36.7-176.8177.361.4000111.9E938 A939 R940 R1071 E1241 Q1242 D1245L936-E938 PolarHBondContact O-N 3.22Å; L936-A939 PolarHBondContact O-N 3.01Å; L936-R940 HydrophobicContact CD1-CG 4.38Å; L936-R940 WeakPolarHBondContact O-CB 3.48Å; L936-R940 WeakPolarHBondContact O-CG 2.97Å; L936-R940 PolarHBondContact O-N 3.05Å; L936-R1071 HydrophobicContact CD1-CB 4.5Å; L936-E1241 HydrophobicContact CB-CG 4.22Å; L936-E1241 PolarHBondContact N-OE2 3.26Å; L936-Q1242 HydrophobicContact CD1-CB 4.28Å; L936-Q1242 HydrophobicContact CD1-CG 4.17Å; L936-Q1242 HydrophobicContact CD2-CB 4.08Å; L936-Q1242 HydrophobicContact CD2-CG 4.28Å; L936-D1245 HydrophobicContact CD2-CB 3.79Å
937S92.4Very high82.7Confident64 Ų6478.9 Ų78.945%0.44837%0.374SS..Hα-helixtrans-61.3-39.8176.457.30000113.3P935 Q941P935-S937 PolarHBondContact O-N 2.91Å; S937-Q941 WeakPolarHBondContact O-CG 3.35Å; S937-Q941 PolarHBondContact O-N 2.92Å
938E91.6Very high83.7Confident81 Ų8177.9 Ų77.938%0.37936%0.363SS..Hα-helixtrans-72.7-40.6176.6-67-172.9-169.300111.7L934 P935 L936 R940 Q941 K942L934-E938 HydrophobicContact CB-CB 4.49Å; P935-E938 HydrophobicContact CB-CG 4.36Å; P935-E938 HydrophobicContact CG-CG 4.32Å; P935-E938 PolarHBondContact O-N 3.44Å; L936-E938 PolarHBondContact O-N 3.22Å; E938-R940 VanDerWaalsContact C-N 3.27Å; E938-R940 PolarHBondContact O-N 3.48Å; E938-Q941 WeakPolarHBondContact O-CB 3.45Å; E938-Q941 PolarHBondContact O-N 2.94Å; E938-Q941 VanDerWaalsContact O-N 3.1Å; E938-K942 PolarHBondContact O-N 3.24Å; E938-K942 VanDerWaalsContact O-N 3.09Å
939A91.9Very high84.9Confident0 Ų081.9 Ų81.90%038%0.378CS..Hα-helixtrans-59.4-39.8174.600000111.6P935 L936 K942 A943 R1071 Q1073 F1084P935-A939 PolarHBondContact O-N 2.87Å; L936-A939 PolarHBondContact O-N 3.01Å; A939-K942 CarbonylContact O-C 3Å; A939-K942 PolarHBondContact O-N 2.87Å; A939-A943 PolarHBondContact O-N 3.2Å; A939-R1071 HydrophobicContact CB-CG 4.44Å; A939-Q1073 HydrophobicContact CB-CG 4.46Å; A939-F1084 HydrophobicContact CB-CB 4.39Å; A939-F1084 HydrophobicContact CB-CD1 4.34Å; A939-F1084 HydrophobicContact CB-CG 4.43Å
940R93.8Very high85.7Confident82 Ų8277.3 Ų77.331%0.30937%0.365SS..Hα-helixtrans-64.8-34.5174.1-75.8170.4170.9163.4-0.9113L936 E938 A943 D1046 D1245L936-R940 HydrophobicContact CD1-CG 4.38Å; L936-R940 WeakPolarHBondContact O-CB 3.48Å; L936-R940 WeakPolarHBondContact O-CG 2.97Å; L936-R940 PolarHBondContact O-N 3.05Å; E938-R940 VanDerWaalsContact C-N 3.27Å; E938-R940 PolarHBondContact O-N 3.48Å; R940-A943 VanDerWaalsContact O-CB 3.25Å; R940-A943 WeakPolarHBondContact O-CB 3.32Å; R940-A943 PolarHBondContact O-N 3.4Å; R940-D1046 IonicContact CZ-OD2 3.83Å; R940-D1046 IonicContact NE-OD1 3.38Å; R940-D1046 IonicContact NE-OD2 3.61Å; R940-D1046 PolarHBondContact NE-OD2 3.09Å; R940-D1046 IonicContact NH2-OD2 2.77Å; R940-D1046 PolarHBondContact NH2-OD2 3.46Å; R940-D1245 IonicContact CZ-OD1 2.87Å; R940-D1245 IonicContact CZ-OD2 2.77Å; R940-D1245 IonicContact NH1-OD1 2.99Å; R940-D1245 PolarHBondContact NH1-OD1 3.31Å; R940-D1245 VanDerWaalsContact NH1-OD1 3.1Å; R940-D1245 VanDerWaalsContact NH2-CG 3.31Å; R940-D1245 IonicContact NH2-OD1 3.84Å; R940-D1245 PolarHBondContact NH2-OD1 3.45Å; R940-D1245 IonicContact NH2-OD2 3.84Å; R940-D1245 PolarHBondContact NH2-OD2 3.38Å
941Q91.3Very high86.4Confident145 Ų14577.7 Ų77.768%0.67836%0.363SS*.Hα-helixtrans-68.3-37.6175.9-71.6174.213.600111.8S937 E938 A943 H945S937-Q941 WeakPolarHBondContact O-CG 3.35Å; S937-Q941 PolarHBondContact O-N 2.92Å; E938-Q941 WeakPolarHBondContact O-CB 3.45Å; E938-Q941 PolarHBondContact O-N 2.94Å; E938-Q941 VanDerWaalsContact O-N 3.1Å; Q941-A943 PolarHBondContact O-N 3.42Å; Q941-H945 PolarHBondContact O-NE2 3.03Å
942K90.8Very high86.9Confident114 Ų11474.2 Ų74.250%0.49636%0.36SS..THydrogen-bonded Turntrans-88.324.9176.7-60.6-178.6-179.8176.60113.2L934 E938 A939 P1083 F1084L934-K942 HydrophobicContact CD1-CD 4.22Å; E938-K942 PolarHBondContact O-N 3.24Å; E938-K942 VanDerWaalsContact O-N 3.09Å; A939-K942 CarbonylContact O-C 3Å; A939-K942 PolarHBondContact O-N 2.87Å; K942-P1083 WeakPolarHBondContact O-CA 3.48Å; K942-F1084 HydrophobicContact CB-CD2 3.6Å; K942-F1084 HydrophobicContact CB-CE2 4.09Å; K942-F1084 HydrophobicContact CD-CD2 4.22Å; K942-F1084 HydrophobicContact CD-CE2 3.83Å; K942-F1084 PolarHBondContact O-N 3.34Å
943A91.2Very high87.2Confident12 Ų1272.2 Ų72.210%0.09935%0.353CS..SBendtrans-64.3165.3174.500000112.2A939 R940 Q941 H945A939-A943 PolarHBondContact O-N 3.2Å; R940-A943 VanDerWaalsContact O-CB 3.25Å; R940-A943 WeakPolarHBondContact O-CB 3.32Å; R940-A943 PolarHBondContact O-N 3.4Å; Q941-A943 PolarHBondContact O-N 3.42Å; A943-H945 PolarHBondContact O-CD2 2.92Å; A943-H945 PolarHBondContact O-N 3.1Å
944L91.8Very high87.4Confident33 Ų3371 Ų7117%0.17335%0.351CS..  trans-71.3113.6171.717567.9000109.4L946 P1083 L1085 D1089 F1090L944-L946 HydrophobicContact CD1-CD2 3.85Å; L944-L946 HydrophobicContact CD2-CD1 4.28Å; L944-L946 HydrophobicContact CD2-CD2 3.9Å; L944-L946 HydrophobicContact CD2-CG 4.22Å; L944-L946 HydrophobicContact CG-CD2 3.7Å; L944-L946 HydrophobicContact CG-CG 4.01Å; L944-P1083 HydrophobicContact CB-CB 3.84Å; L944-P1083 HydrophobicContact CB-CG 3.96Å; L944-P1083 HydrophobicContact CD1-CB 4.45Å; L944-P1083 HydrophobicContact CD1-CG 3.91Å; L944-P1083 HydrophobicContact CG-CG 4.48Å; L944-L1085 HydrophobicContact CB-CD2 3.91Å; L944-L1085 HydrophobicContact CD2-CD2 3.99Å; L944-L1085 HydrophobicContact CG-CD2 4.5Å; L944-D1089 HydrophobicContact CB-CB 4.15Å; L944-F1090 HydrophobicContact CD2-CD1 4.09Å; L944-F1090 HydrophobicContact CD2-CE1 3.61Å
945H87.3Confident87.6Confident152 Ų15272.9 Ų72.970%0.70436%0.363SS*.  trans-98117.3176.4-66-74.2000110.1Q941 A943Q941-H945 PolarHBondContact O-NE2 3.03Å; A943-H945 PolarHBondContact O-CD2 2.92Å; A943-H945 PolarHBondContact O-N 3.1Å
946L87.4Confident87.7Confident21 Ų2177.4 Ų77.411%0.1137%0.373CS..  trans-106.2139.3-177.9-59.4-179.4000110.7L944 W948 D1089L944-L946 HydrophobicContact CD1-CD2 3.85Å; L944-L946 HydrophobicContact CD2-CD1 4.28Å; L944-L946 HydrophobicContact CD2-CD2 3.9Å; L944-L946 HydrophobicContact CD2-CG 4.22Å; L944-L946 HydrophobicContact CG-CD2 3.7Å; L944-L946 HydrophobicContact CG-CG 4.01Å; L946-W948 HydrophobicContact CB-CZ2 4.08Å; L946-W948 HydrophobicContact CD1-CH2 4.09Å; L946-W948 HydrophobicContact CD1-CZ2 3.82Å; L946-W948 HydrophobicContact CG-CZ2 4.46Å; L946-W948 PolarHBondContact O-N 3.38Å; L946-W948 VanDerWaalsContact O-N 3.17Å; L946-W948 PolarHBondContact O-NE1 2.83Å; L946-D1089 WeakPolarHBondContact CD1-O 3.44Å
947D86.9Confident87.8Confident102 Ų10277.4 Ų77.455%0.54537%0.374SS..  trans-82.290.5172.3-177.42.8000110.3F949 S950D947-F949 PolarHBondContact O-N 3.14Å; D947-F949 VanDerWaalsContact O-N 3.16Å; D947-F949 PolarHBondContact OD1-N 2.83Å; D947-S950 WeakPolarHBondContact O-CB 3.45Å; D947-S950 PolarHBondContact O-N 3.47Å; D947-S950 VanDerWaalsContact O-N 3.16Å; D947-S950 PolarHBondContact O-OG 3.08Å; D947-S950 PolarHBondContact OD1-N 3.41Å
948W86.9Confident87.9Confident26 Ų2681 Ų8110%0.09838%0.383CS..THydrogen-bonded Turntrans-65.9-12.5-178.9-61.997.2000114.6L946 P954 V1091 A1092 V1098 D1100 H1227L946-W948 HydrophobicContact CB-CZ2 4.08Å; L946-W948 HydrophobicContact CD1-CH2 4.09Å; L946-W948 HydrophobicContact CD1-CZ2 3.82Å; L946-W948 HydrophobicContact CG-CZ2 4.46Å; L946-W948 PolarHBondContact O-N 3.38Å; L946-W948 VanDerWaalsContact O-N 3.17Å; L946-W948 PolarHBondContact O-NE1 2.83Å; W948-P954 HydrophobicContact CE3-CG 4.06Å; W948-P954 HydrophobicContact CZ3-CG 4.13Å; W948-V1091 VanDerWaalsContact CZ2-C 3.49Å; W948-A1092 HydrophobicContact CD2-CB 3.8Å; W948-A1092 HydrophobicContact CE3-CB 3.52Å; W948-A1092 HydrophobicContact CG-CB 4.46Å; W948-A1092 HydrophobicContact CH2-CB 4.21Å; W948-A1092 HydrophobicContact CZ2-CB 4.44Å; W948-A1092 HydrophobicContact CZ3-CB 3.74Å; W948-V1098 HydrophobicContact CB-CB 4.13Å; W948-V1098 HydrophobicContact CB-CG1 4.4Å; W948-V1098 HydrophobicContact CB-CG2 3.85Å; W948-D1100 WeakPolarHBondContact CZ3-OD2 3.39Å; W948-H1227 AromaticContact CH2-CD2 3.88Å; W948-H1227 AromaticContact CZ3-CD2 3.66Å
949F83.9Confident88Confident135 Ų13578.7 Ų78.759%0.59237%0.372SS*.THydrogen-bonded Turntrans-90.7-18.7176.1-68.9-79.9000113D947 S1096 V1098D947-F949 PolarHBondContact O-N 3.14Å; D947-F949 VanDerWaalsContact O-N 3.16Å; D947-F949 PolarHBondContact OD1-N 2.83Å; F949-S1096 WeakPolarHBondContact CZ-O 3.35Å; F949-V1098 HydrophobicContact CD1-CG2 4.31Å; F949-V1098 HydrophobicContact CE1-CG2 4.07Å; F949-V1098 HydrophobicContact CZ-CG2 4.2Å
950S78.6Confident88.1Confident56 Ų5681.2 Ų81.239%0.39239%0.385SS..SBendtrans-70.7156.6176.772.30000112.5D947D947-S950 WeakPolarHBondContact O-CB 3.45Å; D947-S950 PolarHBondContact O-N 3.47Å; D947-S950 VanDerWaalsContact O-N 3.16Å; D947-S950 PolarHBondContact O-OG 3.08Å; D947-S950 PolarHBondContact OD1-N 3.41Å
951E70.3Confident88Confident150 Ų15078.5 Ų78.570%0.70138%0.382SS*.SBendtrans-83.8139.3175.6-70.6-68166.900110.5R953E951-R953 IonicContact OE1-NE 3.45Å; E951-R953 PolarHBondContact OE2-N 3.33Å
952P74.6Confident88.2Confident81 Ų8174.6 Ų74.653%0.52637%0.369SS..SBendcis-86.3135.65.332.5-33000113.5P1228P952-P1228 HydrophobicContact CG-CG 3.93Å
953R84.1Confident88.4Confident146 Ų14674.1 Ų74.155%0.55136%0.364SS*.PPolyproline II helixtrans-69.9154.5174.2-66.3-176.1-179.5-171.40.2112.5E951 V955E951-R953 IonicContact OE1-NE 3.45Å; E951-R953 PolarHBondContact OE2-N 3.33Å; R953-V955 PolarHBondContact O-N 3.35Å
954P89.4Confident88.7Confident26 Ų2676.1 Ų76.117%0.16938%0.375CS..PPolyproline II helixtrans-57.3130.3175.6-21.831.5000111.9W948 V1098 P1099 D1100W948-P954 HydrophobicContact CE3-CG 4.06Å; W948-P954 HydrophobicContact CZ3-CG 4.13Å; P954-V1098 HydrophobicContact CG-CG1 4Å; P954-P1099 WeakPolarHBondContact CB-O 3.49Å; P954-D1100 HydrophobicContact CB-CB 4.13Å; P954-D1100 WeakPolarHBondContact CB-OD1 3.29Å; P954-D1100 HydrophobicContact CG-CB 4.29Å
955V91.9Very high88.8Confident52 Ų5276 Ų7632%0.31537%0.373SS..PPolyproline II helixtrans-87.7134.1-174.1-179.60000109.8R953 W1155R953-V955 PolarHBondContact O-N 3.35Å; V955-W1155 PolarHBondContact O-NE1 2.98Å
956R93.4Very high88.6Confident145 Ų14572.6 Ų72.655%0.54736%0.36SS..PPolyproline II helixtrans-75.7126173.9-178.6174.5-172-94.53.1110.9D1054 Y1101R956-D1054 IonicContact CZ-OD2 3.84Å; R956-D1054 IonicContact NE-OD2 2.85Å; R956-D1054 PolarHBondContact NE-OD2 3.19Å; R956-D1054 IonicContact NH2-OD2 2.85Å; R956-D1054 PolarHBondContact NH2-OD2 3.45Å; R956-Y1101 HydrophobicContact CB-CE2 3.79Å; R956-Y1101 HydrophobicContact CG-CE1 4.31Å; R956-Y1101 HydrophobicContact CG-CE2 4.01Å; R956-Y1101 WeakPolarHBondContact CG-OH 3.39Å
957P94.4Very high88.4Confident2 Ų276.8 Ų76.81%0.01339%0.39CS..PPolyproline II helixtrans-57.9156174.6-19.526.9000113.3F959 L960 F1038 Y1101 W1155P957-F959 WeakPolarHBondContact CB-O 3.25Å; P957-F959 PolarHBondContact O-N 3.09Å; P957-L960 HydrophobicContact CG-CD2 4.2Å; P957-F1038 HydrophobicContact CB-CB 3.91Å; P957-F1038 HydrophobicContact CB-CD1 4.43Å; P957-F1038 HydrophobicContact CB-CD2 3.91Å; P957-F1038 HydrophobicContact CB-CG 3.82Å; P957-F1038 HydrophobicContact CG-CB 3.75Å; P957-F1038 HydrophobicContact CG-CD1 4.33Å; P957-F1038 HydrophobicContact CG-CG 3.97Å; P957-Y1101 HydrophobicContact CG-CD1 4.14Å; P957-Y1101 HydrophobicContact CG-CG 3.96Å; P957-W1155 HydrophobicContact CB-CG 4.13Å; P957-W1155 HydrophobicContact CG-CD2 4.14Å; P957-W1155 HydrophobicContact CG-CG 3.97Å
958Q94.4Very high88.6Confident139 Ų13973.1 Ų73.165%0.6537%0.368SS*.SBendtrans-66.2-24.2179-64.4-164.8-500113.4E1153 L1154Q958-E1153 WeakPolarHBondContact CG-O 3.25Å; Q958-E1153 PolarHBondContact NE2-O 3.38Å; Q958-E1153 PolarHBondContact OE1-O 3.04Å; Q958-L1154 WeakPolarHBondContact CB-O 3.14Å; Q958-L1154 PolarHBondContact N-O 3.36Å
959F94.8Very high88.7Confident34 Ų3476.5 Ų76.515%0.14939%0.388CS..  trans-146.5157.4173.771.9-84.1000110.7P957 G961 R963 V1036 F1038 L1154P957-F959 WeakPolarHBondContact CB-O 3.25Å; P957-F959 PolarHBondContact O-N 3.09Å; F959-G961 WeakPolarHBondContact CE2-O 3.49Å; F959-R963 HydrophobicContact CE2-CB 3.88Å; F959-R963 HydrophobicContact CZ-CB 3.64Å; F959-V1036 HydrophobicContact CZ-CG1 4.29Å; F959-F1038 HydrophobicContact CD1-CD2 4.36Å; F959-F1038 HydrophobicContact CD1-CE2 4.34Å; F959-F1038 HydrophobicContact CD2-CD2 4.49Å; F959-F1038 AromaticContact CE1-CD2 3.95Å; F959-F1038 HydrophobicContact CE1-CD2 3.95Å; F959-F1038 AromaticContact CE1-CE2 3.63Å; F959-F1038 HydrophobicContact CE1-CE2 3.63Å; F959-F1038 HydrophobicContact CE2-CD2 4.08Å; F959-F1038 HydrophobicContact CE2-CE2 4.4Å; F959-F1038 AromaticContact CZ-CD2 3.79Å; F959-F1038 HydrophobicContact CZ-CD2 3.79Å; F959-F1038 AromaticContact CZ-CE2 3.65Å; F959-F1038 HydrophobicContact CZ-CE2 3.65Å; F959-F1038 WeakPolarHBondContact O-CD2 3.49Å; F959-L1154 HydrophobicContact CE1-CB 4.17Å; F959-L1154 HydrophobicContact CE1-CD2 4.33Å
960L93.8Very high89.1Confident53 Ų5370.5 Ų70.528%0.27736%0.363SS..  trans-114.2153.1169.7-59.9178.3000109.7P957 F1038 D1054 Y1101P957-L960 HydrophobicContact CG-CD2 4.2Å; L960-F1038 WeakPolarHBondContact CA-O 3.34Å; L960-F1038 HydrophobicContact CD2-CB 4.16Å; L960-D1054 HydrophobicContact CD1-CB 3.62Å; L960-Y1101 HydrophobicContact CD1-CE1 4.36Å; L960-Y1101 HydrophobicContact CD2-CD1 3.81Å; L960-Y1101 HydrophobicContact CD2-CE1 3.96Å
961G91.8Very high89.7Confident24 Ų2471.1 Ų71.125%0.24736%0.361CS..EExtended strand (participates in β ladder)trans92.5-163.4-169.700000112.3F959 G1037 F1038F959-G961 WeakPolarHBondContact CE2-O 3.49Å; G961-G1037 CarbonylContact O-C 3.57Å; G961-G1037 WeakPolarHBondContact O-CA 3.17Å; G961-F1038 PolarHBondContact N-O 3.03Å; G961-F1038 PolarHBondContact O-N 3.34Å; G961-F1038 VanDerWaalsContact O-N 3.08Å
962T94.3Very high90.7Very high64 Ų6466 Ų6639%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-103.9149.2-172.152.90000113L1035 V1036 W1039 A1198T962-L1035 HydrophobicContact CG2-CD1 4.04Å; T962-L1035 HydrophobicContact CG2-CD2 4.23Å; T962-L1035 HydrophobicContact CG2-CG 4.42Å; T962-V1036 CarbonylContact C-O 3.52Å; T962-V1036 WeakPolarHBondContact CA-O 3.41Å; T962-W1039 HydrophobicContact CG2-CH2 3.68Å; T962-W1039 HydrophobicContact CG2-CZ2 3.66Å; T962-A1198 HydrophobicContact CG2-CB 3.99Å
963R95.8Very high91.5Very high103 Ų10362.1 Ų62.139%0.38932%0.317SS..EExtended strand (participates in β ladder)trans-130127.9169.7-176.3178.2-66.1-176.60.3108.7F959 F965 L1035 V1036F959-R963 HydrophobicContact CE2-CB 3.88Å; F959-R963 HydrophobicContact CZ-CB 3.64Å; R963-F965 HydrophobicContact CG-CZ 4.36Å; R963-L1035 WeakPolarHBondContact O-CA 3.3Å; R963-V1036 HydrophobicContact CB-CG1 4.21Å; R963-V1036 PolarHBondContact N-O 3.35Å; R963-V1036 PolarHBondContact O-N 3.01Å
964V96Very high91.9Very high54 Ų5457 Ų5733%0.32730%0.3SS..EExtended strand (participates in β ladder)trans-104.9142.5-175.3-171.80000110.3L1035 E1203V964-L1035 HydrophobicContact CG2-CD1 4.18Å; V964-E1203 HydrophobicContact CG1-CB 4.46Å; V964-E1203 HydrophobicContact CG2-CB 3.85Å; V964-E1203 HydrophobicContact CG2-CG 4.29Å
965F94Very high92Very high30 Ų3060 Ų6013%0.13232%0.32CS..EExtended strand (participates in β ladder)trans-121.699.8173.8-57.5-82.7000108.9R963 Y968 R1033 G1034 V1036 F1142 L1146R963-F965 HydrophobicContact CG-CZ 4.36Å; F965-Y968 HydrophobicContact CB-CD2 3.93Å; F965-Y968 HydrophobicContact CD1-CD2 4.08Å; F965-Y968 AromaticContact CD1-CE2 3.95Å; F965-Y968 HydrophobicContact CD1-CE2 3.95Å; F965-Y968 HydrophobicContact CE1-CE2 4.36Å; F965-Y968 HydrophobicContact CG-CD2 4.11Å; F965-Y968 HydrophobicContact CG-CE2 4.24Å; F965-R1033 CarbonylContact O-C 3.57Å; F965-R1033 VanDerWaalsContact O-CA 3.28Å; F965-R1033 WeakPolarHBondContact O-CA 3.49Å; F965-G1034 PolarHBondContact N-O 3.42Å; F965-G1034 PolarHBondContact O-N 3.3Å; F965-V1036 HydrophobicContact CE2-CG1 3.79Å; F965-V1036 HydrophobicContact CZ-CG1 4.42Å; F965-F1142 HydrophobicContact CB-CZ 4.49Å; F965-L1146 HydrophobicContact CE2-CD1 3.79Å; F965-L1146 HydrophobicContact CZ-CD1 4.28Å
966D84.9Confident91.9Very high82 Ų8259.5 Ų59.544%0.43931%0.313SS..EExtended strand (participates in β ladder)trans-86.9-27.7-173.8-172.226.8000113.8R1033D966-R1033 VanDerWaalsContact O-CG 3.26Å; D966-R1033 WeakPolarHBondContact O-CG 3.5Å; D966-R1033 IonicContact OD1-CZ 3.67Å; D966-R1033 IonicContact OD1-NE 3.31Å; D966-R1033 PolarHBondContact OD1-NE 2.86Å; D966-R1033 IonicContact OD1-NH2 2.74Å; D966-R1033 PolarHBondContact OD1-NH2 3.24Å
967C82.2Confident91.9Very high108 Ų10853 Ų5373%0.7329%0.289SS*.EExtended strand (participates in β ladder)trans-134.672.3179.7-69.50000109.8
968Y90.7Very high91.7Very high26 Ų2655.4 Ų55.410%0.10230%0.302CS..EExtended strand (participates in β ladder)trans-68.5138.8179.4-148.4-105.5000111.2F965 L970 S972 L973 G1032 F1142 E1145 R1149F965-Y968 HydrophobicContact CB-CD2 3.93Å; F965-Y968 HydrophobicContact CD1-CD2 4.08Å; F965-Y968 AromaticContact CD1-CE2 3.95Å; F965-Y968 HydrophobicContact CD1-CE2 3.95Å; F965-Y968 HydrophobicContact CE1-CE2 4.36Å; F965-Y968 HydrophobicContact CG-CD2 4.11Å; F965-Y968 HydrophobicContact CG-CE2 4.24Å; Y968-L970 PolarHBondContact O-N 3.37Å; Y968-S972 WeakPolarHBondContact CE1-OG 3.28Å; Y968-L973 HydrophobicContact CD1-CD1 4.36Å; Y968-L973 HydrophobicContact CD1-CD2 3.82Å; Y968-L973 HydrophobicContact CD1-CG 4.17Å; Y968-L973 HydrophobicContact CE1-CD2 3.58Å; Y968-L973 HydrophobicContact CE1-CG 4.36Å; Y968-G1032 PolarHBondContact N-O 3.05Å; Y968-F1142 AromaticContact CD1-CD2 3.93Å; Y968-F1142 HydrophobicContact CD1-CD2 3.93Å; Y968-F1142 HydrophobicContact CD1-CE1 4.41Å; Y968-F1142 AromaticContact CD1-CE2 3.56Å; Y968-F1142 HydrophobicContact CD1-CE2 3.56Å; Y968-F1142 AromaticContact CD1-CZ 3.84Å; Y968-F1142 HydrophobicContact CD1-CZ 3.84Å; Y968-F1142 AromaticContact CD2-CE2 3.63Å; Y968-F1142 HydrophobicContact CD2-CE2 3.63Å; Y968-F1142 AromaticContact CD2-CZ 3.57Å; Y968-F1142 HydrophobicContact CD2-CZ 3.57Å; Y968-F1142 AromaticContact CE1-CD2 3.99Å; Y968-F1142 HydrophobicContact CE1-CD2 3.99Å; Y968-F1142 AromaticContact CE1-CE2 3.71Å; Y968-F1142 HydrophobicContact CE1-CE2 3.71Å; Y968-F1142 HydrophobicContact CE1-CZ 4.42Å; Y968-F1142 AromaticContact CE2-CE2 3.78Å; Y968-F1142 HydrophobicContact CE2-CE2 3.78Å; Y968-F1142 HydrophobicContact CE2-CZ 4.18Å; Y968-F1142 HydrophobicContact CG-CD2 4.31Å; Y968-F1142 HydrophobicContact CG-CE1 4.05Å; Y968-F1142 AromaticContact CG-CE2 3.51Å; Y968-F1142 HydrophobicContact CG-CE2 3.51Å; Y968-F1142 AromaticContact CG-CZ 3.36Å; Y968-F1142 HydrophobicContact CG-CZ 3.36Å; Y968-F1142 AromaticContact CZ-CE2 3.82Å; Y968-E1145 WeakPolarHBondContact CE1-OE2 3.38Å; Y968-E1145 VanDerWaalsContact CZ-OE2 3.24Å; Y968-E1145 PolarHBondContact OH-OE1 2.63Å; Y968-E1145 PolarHBondContact OH-OE2 2.77Å; Y968-R1149 WeakPolarHBondContact OH-CD 3.26Å; Y968-R1149 PolarHBondContact OH-NH1 3.49Å
969N90.3Very high91.5Very high96 Ų9649.4 Ų49.451%0.51327%0.273SS..  trans-73.2101.9177.4-179.34.4000109.9N971 S972N969-N971 PolarHBondContact O-N 3.36Å; N969-N971 VanDerWaalsContact O-N 3.15Å; N969-N971 WeakPolarHBondContact OD1-CB 3.42Å; N969-N971 PolarHBondContact OD1-N 2.77Å; N969-N971 VanDerWaalsContact OD1-N 3.1Å; N969-S972 WeakPolarHBondContact O-CB 3.41Å; N969-S972 PolarHBondContact O-N 2.67Å; N969-S972 PolarHBondContact O-OG 3.24Å
970L91.9Very high91.2Very high10 Ų1053.1 Ų53.15%0.05229%0.29CS..G310 helixtrans-60.4-25.6-178.8-61.1-177.9000113.4Y968 S972 L973 I1025 L1030 L1138Y968-L970 PolarHBondContact O-N 3.37Å; L970-S972 PolarHBondContact O-N 2.91Å; L970-L973 HydrophobicContact CD2-CD1 3.74Å; L970-L973 WeakPolarHBondContact O-CB 3.12Å; L970-L973 PolarHBondContact O-N 3.33Å; L970-I1025 HydrophobicContact CB-CD1 4.07Å; L970-I1025 HydrophobicContact CB-CG1 3.96Å; L970-I1025 HydrophobicContact CB-CG2 4.38Å; L970-I1025 HydrophobicContact CD1-CG1 4.27Å; L970-L1030 HydrophobicContact CD1-CB 3.88Å; L970-L1030 WeakPolarHBondContact CD1-O 3.29Å; L970-L1138 HydrophobicContact CD1-CD1 4.44Å
971N91.1Very high90.8Very high69 Ų6952.4 Ų52.437%0.36929%0.288SS..G310 helixtrans-62.9-30.3175-72.9-66.7000112.6N969 L973 L974 I1025N969-N971 PolarHBondContact O-N 3.36Å; N969-N971 VanDerWaalsContact O-N 3.15Å; N969-N971 WeakPolarHBondContact OD1-CB 3.42Å; N969-N971 PolarHBondContact OD1-N 2.77Å; N969-N971 VanDerWaalsContact OD1-N 3.1Å; N971-L973 PolarHBondContact O-N 3.14Å; N971-L974 PolarHBondContact O-N 2.7Å; N971-I1025 WeakPolarHBondContact ND2-CG2 3.34Å
972S90.1Very high90.8Very high41 Ų4151.2 Ų51.229%0.28728%0.276SS..G310 helixtrans-69.6-19177.168.50000113Y968 N969 L970 P975 F976Y968-S972 WeakPolarHBondContact CE1-OG 3.28Å; N969-S972 WeakPolarHBondContact O-CB 3.41Å; N969-S972 PolarHBondContact O-N 2.67Å; N969-S972 PolarHBondContact O-OG 3.24Å; L970-S972 PolarHBondContact O-N 2.91Å; S972-P975 WeakPolarHBondContact O-CD 3.24Å; S972-F976 WeakPolarHBondContact O-CD2 3.47Å
973L93Very high90.5Very high0 Ų048.3 Ų48.30%026%0.258CS..G310 helixtrans-84.5-23.3-178.4-55.5-176.9000112.9Y968 L970 N971 P975 F976 L1138 A1141 F1142 E1145Y968-L973 HydrophobicContact CD1-CD1 4.36Å; Y968-L973 HydrophobicContact CD1-CD2 3.82Å; Y968-L973 HydrophobicContact CD1-CG 4.17Å; Y968-L973 HydrophobicContact CE1-CD2 3.58Å; Y968-L973 HydrophobicContact CE1-CG 4.36Å; L970-L973 HydrophobicContact CD2-CD1 3.74Å; L970-L973 WeakPolarHBondContact O-CB 3.12Å; L970-L973 PolarHBondContact O-N 3.33Å; N971-L973 PolarHBondContact O-N 3.14Å; L973-P975 VanDerWaalsContact C-CD 3.41Å; L973-P975 VanDerWaalsContact C-N 3.35Å; L973-F976 PolarHBondContact O-N 3.25Å; L973-L1138 HydrophobicContact CB-CD2 4.26Å; L973-L1138 HydrophobicContact CD1-CD2 4.47Å; L973-A1141 HydrophobicContact CB-CB 4.12Å; L973-F1142 HydrophobicContact CD1-CB 3.77Å; L973-F1142 HydrophobicContact CD1-CD1 4.41Å; L973-F1142 HydrophobicContact CD1-CG 4.04Å; L973-F1142 HydrophobicContact CD2-CB 4.12Å; L973-F1142 HydrophobicContact CD2-CD2 4.07Å; L973-F1142 HydrophobicContact CD2-CG 4.25Å; L973-E1145 HydrophobicContact CD2-CB 3.95Å; L973-E1145 HydrophobicContact CD2-CG 4.25Å
974L92.2Very high89.8Confident40 Ų4046.3 Ų46.321%0.20926%0.255CS..G310 helixtrans-52.4-42.1-174.3-60.1179.4000114.3N971 F976 I977 L1021 I1025N971-L974 PolarHBondContact O-N 2.7Å; L974-F976 PolarHBondContact O-N 3.27Å; L974-I977 HydrophobicContact CD2-CD1 3.94Å; L974-I977 PolarHBondContact O-N 3.1Å; L974-L1021 HydrophobicContact CD2-CD1 4.46Å; L974-L1021 HydrophobicContact CD2-CD2 3.47Å; L974-L1021 VanDerWaalsContact CD2-CD2 3.47Å; L974-L1021 HydrophobicContact CD2-CG 3.99Å; L974-I1025 HydrophobicContact CD1-CD1 4.48Å; L974-I1025 HydrophobicContact CD2-CD1 3.87Å; L974-I1025 HydrophobicContact CG-CD1 4.45Å
975P90.4Very high89.2Confident88 Ų8845.4 Ų45.457%0.57125%0.25SC*.G310 helixtrans-66.9-20178.7-21.135.1000114.3S972 L973 A1165S972-P975 WeakPolarHBondContact O-CD 3.24Å; L973-P975 VanDerWaalsContact C-CD 3.41Å; L973-P975 VanDerWaalsContact C-N 3.35Å; P975-A1165 VanDerWaalsContact O-CB 3.28Å; P975-A1165 WeakPolarHBondContact O-CB 3.37Å
976F90.8Very high88.7Confident41 Ų4144 Ų4418%0.1824%0.243CC..G310 helixtrans-94.2-6.2-175.2-62-86.7000113.3S972 L973 L974 D978 A1141 E1144 E1145 V1148 L1168 H1169S972-F976 WeakPolarHBondContact O-CD2 3.47Å; L973-F976 PolarHBondContact O-N 3.25Å; L974-F976 PolarHBondContact O-N 3.27Å; F976-D978 PolarHBondContact O-N 3.24Å; F976-A1141 HydrophobicContact CB-CB 4.11Å; F976-E1144 HydrophobicContact CD1-CG 4.45Å; F976-E1145 HydrophobicContact CB-CB 4.45Å; F976-E1145 HydrophobicContact CD1-CB 4.22Å; F976-E1145 HydrophobicContact CD2-CB 3.7Å; F976-E1145 HydrophobicContact CD2-CG 3.59Å; F976-E1145 HydrophobicContact CE1-CB 4.43Å; F976-E1145 HydrophobicContact CE1-CG 4.36Å; F976-E1145 HydrophobicContact CE2-CB 3.93Å; F976-E1145 HydrophobicContact CE2-CG 3.33Å; F976-E1145 HydrophobicContact CG-CB 3.85Å; F976-E1145 HydrophobicContact CG-CG 4.22Å; F976-E1145 HydrophobicContact CZ-CB 4.29Å; F976-E1145 HydrophobicContact CZ-CG 3.76Å; F976-V1148 HydrophobicContact CE1-CG2 4.04Å; F976-L1168 HydrophobicContact CD1-CD1 3.76Å; F976-L1168 HydrophobicContact CE1-CD1 3.67Å; F976-H1169 PolarHBondContact O-NE2 3.15Å; F976-H1169 VanDerWaalsContact O-NE2 3.12Å
977I92.7Very high88.3Confident8 Ų843.2 Ų43.24%0.04124%0.237CC..  trans-63.1119.1179.5-64.1173000110.3L974 W979 L1021 R1137 L1138 A1141L974-I977 HydrophobicContact CD2-CD1 3.94Å; L974-I977 PolarHBondContact O-N 3.1Å; I977-W979 HydrophobicContact CB-CZ2 4.32Å; I977-W979 HydrophobicContact CD1-CZ2 3.94Å; I977-W979 HydrophobicContact CG2-CD2 3.76Å; I977-W979 VanDerWaalsContact CG2-CE2 3.48Å; I977-W979 HydrophobicContact CG2-CE3 4.37Å; I977-W979 HydrophobicContact CG2-CG 4.03Å; I977-W979 HydrophobicContact CG2-CH2 4.47Å; I977-W979 HydrophobicContact CG2-CZ2 3.85Å; I977-W979 PolarHBondContact O-N 2.9Å; I977-L1021 HydrophobicContact CD1-CD2 4.08Å; I977-R1137 HydrophobicContact CG2-CB 3.91Å; I977-R1137 HydrophobicContact CG2-CG 4.19Å; I977-L1138 HydrophobicContact CD1-CD2 4.28Å; I977-A1141 HydrophobicContact CG1-CB 3.74Å
978D90.1Very high88.2Confident54 Ų5438.1 Ų38.129%0.28920%0.203SC..  trans-80.7108.8161-175.66.7000109.6F976 K980 P981 R1137F976-D978 PolarHBondContact O-N 3.24Å; D978-K980 VanDerWaalsContact C-N 3.32Å; D978-K980 WeakPolarHBondContact OD1-CB 3.38Å; D978-K980 PolarHBondContact OD1-N 3.44Å; D978-P981 WeakPolarHBondContact O-CD 3.36Å; D978-P981 WeakPolarHBondContact OD2-CD 3.37Å; D978-R1137 VanDerWaalsContact O-CD 3.25Å; D978-R1137 WeakPolarHBondContact O-CD 3.48Å; D978-R1137 PolarHBondContact O-NH1 2.88Å
979W91.1Very high87.5Confident12 Ų1244.1 Ų44.15%0.04523%0.225CC..  trans-79.5-11.6179.4-67.394.8000113.4I977 F982 F983 Y997 F1014 A1017 Q1018 L1021 L1134I977-W979 HydrophobicContact CB-CZ2 4.32Å; I977-W979 HydrophobicContact CD1-CZ2 3.94Å; I977-W979 HydrophobicContact CG2-CD2 3.76Å; I977-W979 VanDerWaalsContact CG2-CE2 3.48Å; I977-W979 HydrophobicContact CG2-CE3 4.37Å; I977-W979 HydrophobicContact CG2-CG 4.03Å; I977-W979 HydrophobicContact CG2-CH2 4.47Å; I977-W979 HydrophobicContact CG2-CZ2 3.85Å; I977-W979 PolarHBondContact O-N 2.9Å; W979-F982 HydrophobicContact CE3-CB 4.14Å; W979-F982 AromaticContact CE3-CD1 3.82Å; W979-F982 HydrophobicContact CE3-CD1 3.82Å; W979-F982 HydrophobicContact CE3-CE1 4.4Å; W979-F982 AromaticContact CE3-CG 3.91Å; W979-F982 HydrophobicContact CE3-CG 3.91Å; W979-F982 HydrophobicContact CZ3-CD1 4.2Å; W979-F982 HydrophobicContact CZ3-CD2 4.41Å; W979-F982 HydrophobicContact CZ3-CE1 4.42Å; W979-F982 HydrophobicContact CZ3-CG 4.2Å; W979-F982 WeakPolarHBondContact O-CB 3.47Å; W979-F982 PolarHBondContact O-N 3.48Å; W979-F983 HydrophobicContact CB-CD2 4.44Å; W979-F983 HydrophobicContact CB-CE2 4.01Å; W979-F983 WeakPolarHBondContact O-CD2 3.42Å; W979-F983 PolarHBondContact O-N 3.4Å; W979-Y997 HydrophobicContact CB-CD1 3.75Å; W979-Y997 HydrophobicContact CB-CD2 3.78Å; W979-Y997 HydrophobicContact CB-CE1 4.12Å; W979-Y997 HydrophobicContact CB-CE2 4.1Å; W979-Y997 HydrophobicContact CB-CG 3.55Å; W979-Y997 AromaticContact CD1-CE1 3.59Å; W979-Y997 AromaticContact CD1-CZ 3.63Å; W979-Y997 HydrophobicContact CG-CD1 4.24Å; W979-Y997 HydrophobicContact CG-CD2 4.29Å; W979-Y997 HydrophobicContact CG-CE1 4.11Å; W979-Y997 HydrophobicContact CG-CE2 4.11Å; W979-Y997 HydrophobicContact CG-CG 4.33Å; W979-F1014 HydrophobicContact CD2-CD2 4.1Å; W979-F1014 AromaticContact CD2-CE2 3.57Å; W979-F1014 HydrophobicContact CD2-CE2 3.57Å; W979-F1014 AromaticContact CE2-CE2 3.66Å; W979-F1014 AromaticContact CE3-CD2 3.86Å; W979-F1014 HydrophobicContact CE3-CD2 3.86Å; W979-F1014 AromaticContact CE3-CE2 3.77Å; W979-F1014 HydrophobicContact CE3-CE2 3.77Å; W979-F1014 HydrophobicContact CG-CE2 4.08Å; W979-F1014 HydrophobicContact CH2-CE2 4.16Å; W979-F1014 AromaticContact CZ2-CE2 3.99Å; W979-F1014 HydrophobicContact CZ2-CE2 3.99Å; W979-F1014 HydrophobicContact CZ3-CD2 4.1Å; W979-F1014 HydrophobicContact CZ3-CE2 4.05Å; W979-A1017 HydrophobicContact CZ3-CB 4.33Å; W979-Q1018 VanDerWaalsContact CH2-NE2 3.26Å; W979-L1021 HydrophobicContact CH2-CD2 4.12Å; W979-L1021 HydrophobicContact CZ2-CD2 4.42Å; W979-L1134 HydrophobicContact CH2-CD2 4.18Å; W979-L1134 HydrophobicContact CZ3-CD2 4.17Å
980K87.8Confident86.3Confident112 Ų11240 Ų4049%0.48721%0.205SC..Hα-helixtrans-59-52.8179.6172.5-169.1171.7-163.90111.5D978 F982 F983 D984D978-K980 VanDerWaalsContact C-N 3.32Å; D978-K980 WeakPolarHBondContact OD1-CB 3.38Å; D978-K980 PolarHBondContact OD1-N 3.44Å; K980-F982 PolarHBondContact O-N 2.85Å; K980-F983 PolarHBondContact O-N 2.82Å; K980-D984 PolarHBondContact O-N 3.13Å; K980-D984 VanDerWaalsContact O-N 3.11Å
981P86.8Confident85.2Confident38 Ų3846.2 Ų46.225%0.24723%0.232CC..Hα-helixtrans-70.1-19.2-179.8-15.330.1000113D978 D984 V985D978-P981 WeakPolarHBondContact O-CD 3.36Å; D978-P981 WeakPolarHBondContact OD2-CD 3.37Å; P981-D984 PolarHBondContact O-N 3.19Å; P981-V985 WeakPolarHBondContact O-CG2 3.49Å; P981-V985 PolarHBondContact O-N 2.96Å; P981-V985 VanDerWaalsContact O-N 3.11Å
982F90.4Very high83.5Confident0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-62.3-45.8168.8171.8-93.2000111.2W979 K980 D984 V985 W986 V1013 A1017 M1130 A1133 L1134 R1137W979-F982 HydrophobicContact CE3-CB 4.14Å; W979-F982 AromaticContact CE3-CD1 3.82Å; W979-F982 HydrophobicContact CE3-CD1 3.82Å; W979-F982 HydrophobicContact CE3-CE1 4.4Å; W979-F982 AromaticContact CE3-CG 3.91Å; W979-F982 HydrophobicContact CE3-CG 3.91Å; W979-F982 HydrophobicContact CZ3-CD1 4.2Å; W979-F982 HydrophobicContact CZ3-CD2 4.41Å; W979-F982 HydrophobicContact CZ3-CE1 4.42Å; W979-F982 HydrophobicContact CZ3-CG 4.2Å; W979-F982 WeakPolarHBondContact O-CB 3.47Å; W979-F982 PolarHBondContact O-N 3.48Å; K980-F982 PolarHBondContact O-N 2.85Å; F982-D984 VanDerWaalsContact C-N 3.33Å; F982-V985 PolarHBondContact O-N 3.02Å; F982-W986 AromaticContact CE1-CD1 3.83Å; F982-W986 AromaticContact CE1-NE1 3.95Å; F982-W986 AromaticContact CE2-NE1 3.47Å; F982-W986 AromaticContact CZ-CD1 3.7Å; F982-W986 AromaticContact CZ-NE1 3.31Å; F982-W986 VanDerWaalsContact CZ-NE1 3.31Å; F982-W986 PolarHBondContact O-N 3.25Å; F982-V1013 HydrophobicContact CE1-CG1 3.92Å; F982-V1013 HydrophobicContact CZ-CG1 3.92Å; F982-A1017 HydrophobicContact CE1-CB 4.14Å; F982-A1017 HydrophobicContact CE2-CB 4.07Å; F982-A1017 HydrophobicContact CZ-CB 3.49Å; F982-A1017 VanDerWaalsContact CZ-CB 3.49Å; F982-M1130 HydrophobicContact CE2-SD 3.61Å; F982-M1130 HydrophobicContact CZ-CE 4.29Å; F982-M1130 HydrophobicContact CZ-SD 3.58Å; F982-M1130 VanDerWaalsContact CZ-SD 3.58Å; F982-A1133 HydrophobicContact CD2-CB 4.14Å; F982-A1133 HydrophobicContact CE2-CB 4.23Å; F982-L1134 HydrophobicContact CE2-CD2 4.27Å; F982-L1134 HydrophobicContact CE2-CG 4.48Å; F982-R1137 HydrophobicContact CB-CG 3.92Å; F982-R1137 HydrophobicContact CD2-CG 4.35Å
983F88.7Confident81.8Confident3 Ų353.4 Ų53.41%0.01326%0.258CS..Hα-helixtrans-69-31.7175.7-68.5-68.1000112.9W979 K980 V985 W986 Q987 L988 Y997 I1000 F1001 A1010 F1014W979-F983 HydrophobicContact CB-CD2 4.44Å; W979-F983 HydrophobicContact CB-CE2 4.01Å; W979-F983 WeakPolarHBondContact O-CD2 3.42Å; W979-F983 PolarHBondContact O-N 3.4Å; K980-F983 PolarHBondContact O-N 2.82Å; F983-V985 VanDerWaalsContact C-N 3.33Å; F983-V985 PolarHBondContact O-N 3.4Å; F983-W986 CarbonylContact O-C 3.43Å; F983-W986 PolarHBondContact O-N 2.88Å; F983-W986 VanDerWaalsContact O-N 3.13Å; F983-Q987 PolarHBondContact O-N 3.49Å; F983-L988 HydrophobicContact CB-CB 4.22Å; F983-L988 HydrophobicContact CD1-CB 4.21Å; F983-L988 HydrophobicContact CD1-CD1 3.95Å; F983-L988 PolarHBondContact O-N 3.24Å; F983-Y997 AromaticContact CE2-CD2 3.56Å; F983-Y997 HydrophobicContact CE2-CD2 3.56Å; F983-Y997 HydrophobicContact CE2-CE2 4.45Å; F983-Y997 HydrophobicContact CE2-CG 4.14Å; F983-Y997 HydrophobicContact CZ-CD2 4.26Å; F983-I1000 HydrophobicContact CB-CD1 3.93Å; F983-I1000 HydrophobicContact CD1-CD1 4.18Å; F983-I1000 HydrophobicContact CD2-CD1 4.44Å; F983-I1000 HydrophobicContact CD2-CG2 4.03Å; F983-I1000 HydrophobicContact CE2-CG2 3.96Å; F983-I1000 HydrophobicContact CG-CD1 3.92Å; F983-I1000 HydrophobicContact CG-CG2 4.42Å; F983-I1000 HydrophobicContact CZ-CG2 4.24Å; F983-F1001 HydrophobicContact CE1-CE1 4.21Å; F983-F1001 HydrophobicContact CE2-CE1 4.38Å; F983-F1001 AromaticContact CZ-CE1 3.56Å; F983-F1001 HydrophobicContact CZ-CE1 3.56Å; F983-F1001 AromaticContact CZ-CZ 3.98Å; F983-F1001 HydrophobicContact CZ-CZ 3.98Å; F983-A1010 HydrophobicContact CD1-CB 4.25Å; F983-A1010 HydrophobicContact CE1-CB 3.87Å; F983-F1014 HydrophobicContact CE1-CB 4.39Å; F983-F1014 HydrophobicContact CZ-CB 4.04Å; F983-F1014 HydrophobicContact CZ-CD2 4.07Å; F983-F1014 HydrophobicContact CZ-CG 4.42Å
984D82Confident81.1Confident61 Ų6155.1 Ų55.133%0.32627%0.267SS..Hα-helixtrans-62.3-39.6175-66-31.6000111.7K980 P981 F982 W986 Q987K980-D984 PolarHBondContact O-N 3.13Å; K980-D984 VanDerWaalsContact O-N 3.11Å; P981-D984 PolarHBondContact O-N 3.19Å; F982-D984 VanDerWaalsContact C-N 3.33Å; D984-W986 PolarHBondContact O-N 3.14Å; D984-Q987 PolarHBondContact O-N 3.39Å
985V82.9Confident80.1Confident35 Ų3561.6 Ų61.621%0.21229%0.289CS..Hα-helixtrans-57.7-39.1172.91690000111.5I791 I795 P981 F982 F983 Q987 I1129 A1133I791-V985 HydrophobicContact CG2-CG1 3.68Å; I795-V985 HydrophobicContact CD1-CG1 4.29Å; I795-V985 WeakPolarHBondContact CD1-O 3.21Å; P981-V985 WeakPolarHBondContact O-CG2 3.49Å; P981-V985 PolarHBondContact O-N 2.96Å; P981-V985 VanDerWaalsContact O-N 3.11Å; F982-V985 PolarHBondContact O-N 3.02Å; F983-V985 VanDerWaalsContact C-N 3.33Å; F983-V985 PolarHBondContact O-N 3.4Å; V985-Q987 PolarHBondContact O-N 3.34Å; V985-I1129 HydrophobicContact CG1-CG2 4.48Å; V985-A1133 HydrophobicContact CG1-CB 4.3Å
986W82.5Confident79.2Confident0 Ų058.5 Ų58.50%027%0.273CS..THydrogen-bonded Turntrans-83.76.5177.5-66.9106.5000114L734 P735 I738 F982 F983 D984 L988 V1013 Y1126 I1129 M1130L734-W986 HydrophobicContact CD2-CE3 4.48Å; P735-W986 HydrophobicContact CG-CE3 4.09Å; I738-W986 HydrophobicContact CD1-CE3 4.42Å; I738-W986 HydrophobicContact CD1-CZ3 3.68Å; F982-W986 AromaticContact CE1-CD1 3.83Å; F982-W986 AromaticContact CE1-NE1 3.95Å; F982-W986 AromaticContact CE2-NE1 3.47Å; F982-W986 AromaticContact CZ-CD1 3.7Å; F982-W986 AromaticContact CZ-NE1 3.31Å; F982-W986 VanDerWaalsContact CZ-NE1 3.31Å; F982-W986 PolarHBondContact O-N 3.25Å; F983-W986 CarbonylContact O-C 3.43Å; F983-W986 PolarHBondContact O-N 2.88Å; F983-W986 VanDerWaalsContact O-N 3.13Å; D984-W986 PolarHBondContact O-N 3.14Å; W986-L988 HydrophobicContact CB-CD1 4.07Å; W986-L988 HydrophobicContact CB-CG 4.07Å; W986-L988 PolarHBondContact O-N 3.46Å; W986-L988 VanDerWaalsContact O-N 3.11Å; W986-V1013 HydrophobicContact CD2-CG1 4.25Å; W986-V1013 HydrophobicContact CG-CG1 4.11Å; W986-Y1126 AromaticContact CH2-CD2 3.42Å; W986-Y1126 HydrophobicContact CH2-CD2 3.42Å; W986-Y1126 VanDerWaalsContact CH2-CD2 3.42Å; W986-Y1126 AromaticContact CH2-CE2 3.51Å; W986-Y1126 HydrophobicContact CH2-CE2 3.51Å; W986-Y1126 HydrophobicContact CH2-CG 4.32Å; W986-Y1126 HydrophobicContact CZ2-CD2 4.38Å; W986-Y1126 HydrophobicContact CZ2-CE2 4.11Å; W986-Y1126 AromaticContact CZ3-CD2 3.67Å; W986-Y1126 HydrophobicContact CZ3-CD2 3.67Å; W986-Y1126 AromaticContact CZ3-CE2 3.74Å; W986-Y1126 HydrophobicContact CZ3-CE2 3.74Å; W986-I1129 HydrophobicContact CH2-CB 4.1Å; W986-I1129 HydrophobicContact CH2-CG2 3.86Å; W986-I1129 HydrophobicContact CZ2-CB 4.5Å; W986-I1129 HydrophobicContact CZ2-CG2 3.99Å; W986-I1129 HydrophobicContact CZ3-CG2 4.39Å; W986-M1130 HydrophobicContact CH2-CE 4.4Å; W986-M1130 HydrophobicContact CZ2-CB 4.17Å; W986-M1130 HydrophobicContact CZ2-CE 3.63Å; W986-M1130 HydrophobicContact CZ2-SD 3.95Å
987Q76.9Confident78.7Confident65 Ų6560.6 Ų60.630%0.30428%0.281SS..THydrogen-bonded Turntrans5228.8-173.9-60.8-66.3-17.700113.3F983 D984 V985 R989F983-Q987 PolarHBondContact O-N 3.49Å; D984-Q987 PolarHBondContact O-N 3.39Å; V985-Q987 PolarHBondContact O-N 3.34Å; Q987-R989 PolarHBondContact O-N 3.16Å
988L80.4Confident78.1Confident1 Ų163.9 Ų63.91%0.00530%0.302CS..  trans-89.893.7174.9-67.2174.6000108F733 P735 F983 W986 I1000 V1006 A1010 V1013F733-L988 HydrophobicContact CB-CD2 3.75Å; F733-L988 HydrophobicContact CD1-CD2 4.3Å; F733-L988 HydrophobicContact CD2-CD2 4.45Å; F733-L988 HydrophobicContact CG-CD2 3.89Å; P735-L988 HydrophobicContact CG-CD1 4.4Å; F983-L988 HydrophobicContact CB-CB 4.22Å; F983-L988 HydrophobicContact CD1-CB 4.21Å; F983-L988 HydrophobicContact CD1-CD1 3.95Å; F983-L988 PolarHBondContact O-N 3.24Å; W986-L988 HydrophobicContact CB-CD1 4.07Å; W986-L988 HydrophobicContact CB-CG 4.07Å; W986-L988 PolarHBondContact O-N 3.46Å; W986-L988 VanDerWaalsContact O-N 3.11Å; L988-I1000 HydrophobicContact CB-CD1 4.04Å; L988-I1000 WeakPolarHBondContact O-CD1 3.5Å; L988-V1006 HydrophobicContact CD2-CB 4.14Å; L988-V1006 HydrophobicContact CD2-CG1 4.14Å; L988-A1010 HydrophobicContact CD1-CB 4.27Å; L988-V1013 HydrophobicContact CD1-CB 4.45Å; L988-V1013 HydrophobicContact CD1-CG2 4.31Å
989R75.8Confident77.9Confident153 Ų15367 Ų6758%0.57731%0.313SS*.  trans-107.3115.3176.8-60.2-176.5-170.5179.87.5109.3Q987Q987-R989 PolarHBondContact O-N 3.16Å
990G64.3Low77.6Confident8 Ų866.4 Ų66.48%0.08231%0.311CS..PPolyproline II helixtrans-68.3157.3172.900000111.5R995 D1003G990-R995 WeakPolarHBondContact O-CA 3.08Å; G990-R995 WeakPolarHBondContact O-CG 3.46Å; G990-D1003 WeakPolarHBondContact CA-OD2 3.21Å
991K69.2Low77.6Confident142 Ų14262.3 Ų62.362%0.61729%0.294SS*.PPolyproline II helixtrans-84.9152.1168.9-66.1-174.7-179.1-177.80109.7N994 R995 D1003K991-N994 CarbonylContact O-C 3.54Å; K991-N994 VanDerWaalsContact O-C 3.31Å; K991-N994 VanDerWaalsContact O-CA 3.26Å; K991-N994 WeakPolarHBondContact O-CA 3.48Å; K991-N994 PolarHBondContact O-N 2.85Å; K991-R995 PolarHBondContact O-N 3.17Å; K991-D1003 PolarHBondContact N-OD2 3.35Å
992Y55.2Low77.3Confident186 Ų18665.1 Ų65.173%0.72931%0.307SS*.THydrogen-bonded Turntrans-61.1134175.7-176-90.9000109.5
993P55.2Low76.8Confident75 Ų7565.5 Ų65.549%0.48731%0.309SS..THydrogen-bonded Turncis-89.31.411.135.5-36.8000116.1R995P993-R995 PolarHBondContact O-N 2.85Å
994N78.9Confident75.6Confident36 Ų3672 Ų7219%0.19334%0.337CS..SBendtrans-94.225.8-173.2-66.2-30.5000114.6K991 G996 K999 I1000 N1002 D1003K991-N994 CarbonylContact O-C 3.54Å; K991-N994 VanDerWaalsContact O-C 3.31Å; K991-N994 VanDerWaalsContact O-CA 3.26Å; K991-N994 WeakPolarHBondContact O-CA 3.48Å; K991-N994 PolarHBondContact O-N 2.85Å; N994-G996 VanDerWaalsContact C-N 3.31Å; N994-G996 PolarHBondContact O-N 3.31Å; N994-K999 HydrophobicContact CB-CB 4.28Å; N994-K999 WeakPolarHBondContact CB-O 3.24Å; N994-I1000 VanDerWaalsContact O-CA 3.24Å; N994-I1000 WeakPolarHBondContact O-CA 3.4Å; N994-I1000 PolarHBondContact O-N 3Å; N994-N1002 PolarHBondContact ND2-O 3.44Å; N994-N1002 VanDerWaalsContact ND2-O 3.11Å; N994-D1003 HydrophobicContact CB-CB 4.09Å
995R71.2Confident74.9Confident175 Ų17572.2 Ų72.266%0.6634%0.341SS*.  trans-59.7-30.9-170-73-170.6172.2167.83.9115.8G990 K991 P993G990-R995 WeakPolarHBondContact O-CA 3.08Å; G990-R995 WeakPolarHBondContact O-CG 3.46Å; K991-R995 PolarHBondContact O-N 3.17Å; P993-R995 PolarHBondContact O-N 2.85Å
996G70.4Confident74.7Confident24 Ų2470.7 Ų70.725%0.24733%0.331CS..SBendtrans-132.3165.7-171.800000113.4N994 K999 I1000N994-G996 VanDerWaalsContact C-N 3.31Å; N994-G996 PolarHBondContact O-N 3.31Å; G996-K999 CarbonylContact O-C 3.56Å; G996-K999 WeakPolarHBondContact O-CA 3.45Å; G996-K999 WeakPolarHBondContact O-CB 3.36Å; G996-K999 PolarHBondContact O-N 2.89Å; G996-I1000 PolarHBondContact O-N 3.04Å
997Y81.2Confident74.7Confident84 Ų8470.7 Ų70.733%0.32933%0.331SS..THydrogen-bonded Turntrans-60.2142.4173.7178.5-92.9000111.5W979 F983 F1001 F1014W979-Y997 HydrophobicContact CB-CD1 3.75Å; W979-Y997 HydrophobicContact CB-CD2 3.78Å; W979-Y997 HydrophobicContact CB-CE1 4.12Å; W979-Y997 HydrophobicContact CB-CE2 4.1Å; W979-Y997 HydrophobicContact CB-CG 3.55Å; W979-Y997 AromaticContact CD1-CE1 3.59Å; W979-Y997 AromaticContact CD1-CZ 3.63Å; W979-Y997 HydrophobicContact CG-CD1 4.24Å; W979-Y997 HydrophobicContact CG-CD2 4.29Å; W979-Y997 HydrophobicContact CG-CE1 4.11Å; W979-Y997 HydrophobicContact CG-CE2 4.11Å; W979-Y997 HydrophobicContact CG-CG 4.33Å; F983-Y997 AromaticContact CE2-CD2 3.56Å; F983-Y997 HydrophobicContact CE2-CD2 3.56Å; F983-Y997 HydrophobicContact CE2-CE2 4.45Å; F983-Y997 HydrophobicContact CE2-CG 4.14Å; F983-Y997 HydrophobicContact CZ-CD2 4.26Å; Y997-F1001 AromaticContact CD2-CE2 3.86Å; Y997-F1001 HydrophobicContact CD2-CE2 3.86Å; Y997-F1001 AromaticContact CD2-CZ 3.75Å; Y997-F1001 HydrophobicContact CD2-CZ 3.75Å; Y997-F1001 AromaticContact CE2-CE2 3.44Å; Y997-F1001 HydrophobicContact CE2-CE2 3.44Å; Y997-F1001 VanDerWaalsContact CE2-CE2 3.44Å; Y997-F1001 AromaticContact CE2-CZ 3.49Å; Y997-F1001 HydrophobicContact CE2-CZ 3.49Å; Y997-F1001 VanDerWaalsContact CE2-CZ 3.49Å; Y997-F1014 HydrophobicContact CE2-CD2 4.29Å; Y997-F1014 AromaticContact CE2-CE2 3.79Å; Y997-F1014 HydrophobicContact CE2-CE2 3.79Å; Y997-F1014 HydrophobicContact CE2-CZ 4.11Å
998P80.1Confident75Confident77 Ų7771.8 Ų71.850%0.534%0.344SS..THydrogen-bonded Turncis-84.5-5.6-4.133.9-35.5000114I1000 F1001P998-I1000 PolarHBondContact O-N 3.09Å; P998-F1001 HydrophobicContact CB-CD2 4.47Å; P998-F1001 WeakPolarHBondContact O-CD2 3.3Å; P998-F1001 PolarHBondContact O-N 3.41Å
999K85.2Confident75Confident119 Ų11972.6 Ų72.652%0.51735%0.348SS..G310 helixtrans-62.8-24.5-175.7-59.8-173.2177.8-175.50113.3N994 G996 F1001 N1002N994-K999 HydrophobicContact CB-CB 4.28Å; N994-K999 WeakPolarHBondContact CB-O 3.24Å; G996-K999 CarbonylContact O-C 3.56Å; G996-K999 WeakPolarHBondContact O-CA 3.45Å; G996-K999 WeakPolarHBondContact O-CB 3.36Å; G996-K999 PolarHBondContact O-N 2.89Å; K999-F1001 PolarHBondContact O-N 2.91Å; K999-F1001 VanDerWaalsContact O-N 3.11Å; K999-N1002 WeakPolarHBondContact O-CA 3.21Å; K999-N1002 WeakPolarHBondContact O-CB 3.42Å; K999-N1002 PolarHBondContact O-N 3.32Å
1000I84.8Confident75.5Confident1 Ų165.3 Ų65.31%0.00532%0.32CS..G310 helixtrans-53.4-30.9175.4-166.5172.7000113.1F983 L988 N994 G996 P998 N1002 D1003 V1006 G1007 A1010F983-I1000 HydrophobicContact CB-CD1 3.93Å; F983-I1000 HydrophobicContact CD1-CD1 4.18Å; F983-I1000 HydrophobicContact CD2-CD1 4.44Å; F983-I1000 HydrophobicContact CD2-CG2 4.03Å; F983-I1000 HydrophobicContact CE2-CG2 3.96Å; F983-I1000 HydrophobicContact CG-CD1 3.92Å; F983-I1000 HydrophobicContact CG-CG2 4.42Å; F983-I1000 HydrophobicContact CZ-CG2 4.24Å; L988-I1000 HydrophobicContact CB-CD1 4.04Å; L988-I1000 WeakPolarHBondContact O-CD1 3.5Å; N994-I1000 VanDerWaalsContact O-CA 3.24Å; N994-I1000 WeakPolarHBondContact O-CA 3.4Å; N994-I1000 PolarHBondContact O-N 3Å; G996-I1000 PolarHBondContact O-N 3.04Å; P998-I1000 PolarHBondContact O-N 3.09Å; I1000-N1002 PolarHBondContact O-N 3.4Å; I1000-D1003 WeakPolarHBondContact O-CB 3.39Å; I1000-D1003 PolarHBondContact O-N 3.37Å; I1000-D1003 VanDerWaalsContact O-N 3.09Å; I1000-V1006 HydrophobicContact CD1-CG2 4.26Å; I1000-V1006 HydrophobicContact CG1-CG2 3.83Å; I1000-G1007 WeakPolarHBondContact O-CA 3.41Å; I1000-A1010 HydrophobicContact CD1-CB 4.37Å; I1000-A1010 HydrophobicContact CG1-CB 4.17Å; I1000-A1010 HydrophobicContact CG2-CB 4.39Å
1001F86.8Confident76.7Confident26 Ų2670.5 Ų70.511%0.11434%0.337CS..G310 helixtrans-61.7-31.1175.5-62.1-34.5000112.7F983 Y997 P998 K999 D1003 G1007 A1010 R1011 F1014F983-F1001 HydrophobicContact CE1-CE1 4.21Å; F983-F1001 HydrophobicContact CE2-CE1 4.38Å; F983-F1001 AromaticContact CZ-CE1 3.56Å; F983-F1001 HydrophobicContact CZ-CE1 3.56Å; F983-F1001 AromaticContact CZ-CZ 3.98Å; F983-F1001 HydrophobicContact CZ-CZ 3.98Å; Y997-F1001 AromaticContact CD2-CE2 3.86Å; Y997-F1001 HydrophobicContact CD2-CE2 3.86Å; Y997-F1001 AromaticContact CD2-CZ 3.75Å; Y997-F1001 HydrophobicContact CD2-CZ 3.75Å; Y997-F1001 AromaticContact CE2-CE2 3.44Å; Y997-F1001 HydrophobicContact CE2-CE2 3.44Å; Y997-F1001 VanDerWaalsContact CE2-CE2 3.44Å; Y997-F1001 AromaticContact CE2-CZ 3.49Å; Y997-F1001 HydrophobicContact CE2-CZ 3.49Å; Y997-F1001 VanDerWaalsContact CE2-CZ 3.49Å; P998-F1001 HydrophobicContact CB-CD2 4.47Å; P998-F1001 WeakPolarHBondContact O-CD2 3.3Å; P998-F1001 PolarHBondContact O-N 3.41Å; K999-F1001 PolarHBondContact O-N 2.91Å; K999-F1001 VanDerWaalsContact O-N 3.11Å; F1001-D1003 VanDerWaalsContact C-N 3.29Å; F1001-G1007 CarbonylContact O-C 3.6Å; F1001-G1007 VanDerWaalsContact O-CA 3.23Å; F1001-G1007 WeakPolarHBondContact O-CA 3.49Å; F1001-A1010 HydrophobicContact CD1-CB 4Å; F1001-A1010 HydrophobicContact CE1-CB 4.33Å; F1001-R1011 HydrophobicContact CB-CG 3.76Å; F1001-R1011 HydrophobicContact CD1-CB 4.37Å; F1001-R1011 HydrophobicContact CD1-CG 3.65Å; F1001-R1011 HydrophobicContact CE1-CG 4.42Å; F1001-R1011 HydrophobicContact CG-CG 3.81Å; F1001-R1011 PolarHBondContact O-NE 3.32Å; F1001-R1011 VanDerWaalsContact O-NE 3.12Å; F1001-R1011 PolarHBondContact O-NH2 3.35Å; F1001-F1014 HydrophobicContact CE1-CB 3.71Å; F1001-F1014 HydrophobicContact CE1-CD1 4.31Å; F1001-F1014 HydrophobicContact CE1-CD2 4.47Å; F1001-F1014 AromaticContact CE1-CG 3.94Å; F1001-F1014 HydrophobicContact CE1-CG 3.94Å; F1001-F1014 HydrophobicContact CE2-CD1 4.3Å; F1001-F1014 HydrophobicContact CE2-CE1 4.44Å; F1001-F1014 HydrophobicContact CZ-CB 3.78Å; F1001-F1014 AromaticContact CZ-CD1 3.58Å; F1001-F1014 HydrophobicContact CZ-CD1 3.58Å; F1001-F1014 AromaticContact CZ-CD2 3.82Å; F1001-F1014 HydrophobicContact CZ-CD2 3.82Å; F1001-F1014 HydrophobicContact CZ-CE1 4.06Å; F1001-F1014 HydrophobicContact CZ-CE2 4.26Å; F1001-F1014 AromaticContact CZ-CG 3.44Å; F1001-F1014 HydrophobicContact CZ-CG 3.44Å; F1001-F1014 VanDerWaalsContact CZ-CG 3.44Å; F1001-F1014 HydrophobicContact CZ-CZ 4.38Å
1002N80.7Confident77.4Confident97 Ų9769.2 Ų69.252%0.51933%0.328SS..G310 helixtrans-88.52.6-179.1-57.8-27.8000112.6N994 K999 I1000 K1004 R1011N994-N1002 PolarHBondContact ND2-O 3.44Å; N994-N1002 VanDerWaalsContact ND2-O 3.11Å; K999-N1002 WeakPolarHBondContact O-CA 3.21Å; K999-N1002 WeakPolarHBondContact O-CB 3.42Å; K999-N1002 PolarHBondContact O-N 3.32Å; I1000-N1002 PolarHBondContact O-N 3.4Å; N1002-K1004 PolarHBondContact O-N 2.92Å; N1002-R1011 PolarHBondContact OD1-NH2 2.99Å
1003D79.8Confident78.9Confident8 Ų860.3 Ų60.34%0.04329%0.294CS..  trans-68.2129.1172.1-171-84.5000110.8G990 K991 N994 I1000 F1001 T1005 V1006 G1007G990-D1003 WeakPolarHBondContact CA-OD2 3.21Å; K991-D1003 PolarHBondContact N-OD2 3.35Å; N994-D1003 HydrophobicContact CB-CB 4.09Å; I1000-D1003 WeakPolarHBondContact O-CB 3.39Å; I1000-D1003 PolarHBondContact O-N 3.37Å; I1000-D1003 VanDerWaalsContact O-N 3.09Å; F1001-D1003 VanDerWaalsContact C-N 3.29Å; D1003-T1005 PolarHBondContact O-N 2.92Å; D1003-T1005 WeakPolarHBondContact OD1-CA 3.32Å; D1003-T1005 WeakPolarHBondContact OD1-CB 3.47Å; D1003-T1005 PolarHBondContact OD1-N 3.02Å; D1003-T1005 PolarHBondContact OD1-OG1 2.89Å; D1003-V1006 HydrophobicContact CB-CG2 3.65Å; D1003-V1006 WeakPolarHBondContact OD1-CG2 3.36Å; D1003-V1006 PolarHBondContact OD1-N 3.42Å; D1003-G1007 WeakPolarHBondContact O-CA 3.34Å; D1003-G1007 PolarHBondContact O-N 3.25Å
1004K63.9Low80.7Confident139 Ų13958.3 Ų58.360%0.60428%0.277SS*.THydrogen-bonded Turntrans-67.4-24.6-176.3-67.1175.8-178.1168.10112.6E442 N1002E442-K1004 IonicContact OE2-NZ 3Å; E442-K1004 PolarHBondContact OE2-NZ 3.19Å; N1002-K1004 PolarHBondContact O-N 2.92Å
1005T68.4Low81.3Confident66 Ų6659.5 Ų59.541%0.40529%0.289SS..THydrogen-bonded Turntrans-95.9-53.2-176.554.10000112.4F733 D1003F733-T1005 WeakPolarHBondContact CE2-O 3.19Å; F733-T1005 WeakPolarHBondContact CZ-O 3.45Å; D1003-T1005 PolarHBondContact O-N 2.92Å; D1003-T1005 WeakPolarHBondContact OD1-CA 3.32Å; D1003-T1005 WeakPolarHBondContact OD1-CB 3.47Å; D1003-T1005 PolarHBondContact OD1-N 3.02Å; D1003-T1005 PolarHBondContact OD1-OG1 2.89Å
1006V78.3Confident82.1Confident3 Ų353.7 Ų53.72%0.01827%0.27CS..THydrogen-bonded Turntrans-98.3-15.7-177.4-65.70000113.7F733 L988 I1000 D1003 E1009 A1010F733-V1006 HydrophobicContact CD1-CG1 3.65Å; F733-V1006 HydrophobicContact CD2-CG1 4.3Å; F733-V1006 HydrophobicContact CE1-CB 4.48Å; F733-V1006 HydrophobicContact CE1-CG1 3.18Å; F733-V1006 HydrophobicContact CE2-CB 4.49Å; F733-V1006 HydrophobicContact CE2-CG1 3.9Å; F733-V1006 HydrophobicContact CG-CG1 4.19Å; F733-V1006 HydrophobicContact CZ-CB 4.29Å; F733-V1006 HydrophobicContact CZ-CG1 3.32Å; L988-V1006 HydrophobicContact CD2-CB 4.14Å; L988-V1006 HydrophobicContact CD2-CG1 4.14Å; I1000-V1006 HydrophobicContact CD1-CG2 4.26Å; I1000-V1006 HydrophobicContact CG1-CG2 3.83Å; D1003-V1006 HydrophobicContact CB-CG2 3.65Å; D1003-V1006 WeakPolarHBondContact OD1-CG2 3.36Å; D1003-V1006 PolarHBondContact OD1-N 3.42Å; V1006-E1009 PolarHBondContact O-N 3.22Å; V1006-A1010 WeakPolarHBondContact O-CB 3.41Å; V1006-A1010 PolarHBondContact O-N 3.5Å
1007G83.1Confident83.1Confident0 Ų052.5 Ų52.50%026%0.259CS..Hα-helixtrans-60.9-44.6-167.900000115.9I1000 F1001 D1003 E1009 A1010 R1011I1000-G1007 WeakPolarHBondContact O-CA 3.41Å; F1001-G1007 CarbonylContact O-C 3.6Å; F1001-G1007 VanDerWaalsContact O-CA 3.23Å; F1001-G1007 WeakPolarHBondContact O-CA 3.49Å; D1003-G1007 WeakPolarHBondContact O-CA 3.34Å; D1003-G1007 PolarHBondContact O-N 3.25Å; G1007-E1009 VanDerWaalsContact C-N 3.34Å; G1007-E1009 PolarHBondContact O-N 3.43Å; G1007-A1010 PolarHBondContact O-N 2.95Å; G1007-R1011 WeakPolarHBondContact O-CG 3.21Å; G1007-R1011 PolarHBondContact O-N 3.36Å
1008P82.1Confident83.6Confident88 Ų8851 Ų5157%0.57125%0.254SS*.Hα-helixtrans-58.8-43.6174.5-25.735.3000112.7R1011 R1012P1008-R1011 PolarHBondContact O-N 3.02Å; P1008-R1012 PolarHBondContact O-N 3.07Å; P1008-R1012 VanDerWaalsContact O-N 3.12Å
1009E80.8Confident84.2Confident17 Ų1753.2 Ų53.28%0.07926%0.262CS..Hα-helixtrans-74.4-34.2179.8-157.264.7-176.100111.3P735 Q736 K739 V1006 G1007 R1011 R1012 V1013P735-E1009 HydrophobicContact CB-CG 4.27Å; P735-E1009 HydrophobicContact CG-CG 4.38Å; Q736-E1009 HydrophobicContact CG-CG 4.22Å; K739-E1009 IonicContact NZ-OE1 2.74Å; V1006-E1009 PolarHBondContact O-N 3.22Å; G1007-E1009 VanDerWaalsContact C-N 3.34Å; G1007-E1009 PolarHBondContact O-N 3.43Å; E1009-R1011 PolarHBondContact O-N 3.39Å; E1009-R1012 WeakPolarHBondContact O-CB 3.33Å; E1009-R1012 PolarHBondContact O-N 3.24Å; E1009-R1012 IonicContact OE1-NH1 3.7Å; E1009-R1012 PolarHBondContact OE1-NH1 2.79Å; E1009-R1012 IonicContact OE2-NH1 2.75Å; E1009-V1013 WeakPolarHBondContact O-CG2 3.44Å; E1009-V1013 PolarHBondContact O-N 3.03Å
1010A85.8Confident84.5Confident0 Ų048.7 Ų48.70%024%0.243CC..Hα-helixtrans-61.3-42.9171.800000111.9F983 L988 I1000 F1001 V1006 G1007 R1012 F1014F983-A1010 HydrophobicContact CD1-CB 4.25Å; F983-A1010 HydrophobicContact CE1-CB 3.87Å; L988-A1010 HydrophobicContact CD1-CB 4.27Å; I1000-A1010 HydrophobicContact CD1-CB 4.37Å; I1000-A1010 HydrophobicContact CG1-CB 4.17Å; I1000-A1010 HydrophobicContact CG2-CB 4.39Å; F1001-A1010 HydrophobicContact CD1-CB 4Å; F1001-A1010 HydrophobicContact CE1-CB 4.33Å; V1006-A1010 WeakPolarHBondContact O-CB 3.41Å; V1006-A1010 PolarHBondContact O-N 3.5Å; G1007-A1010 PolarHBondContact O-N 2.95Å; A1010-R1012 VanDerWaalsContact C-N 3.31Å; A1010-R1012 PolarHBondContact O-N 2.87Å; A1010-F1014 WeakPolarHBondContact O-CB 3.45Å; A1010-F1014 PolarHBondContact O-N 3.01Å
1011R88.9Confident84.9Confident117 Ų11748.6 Ų48.644%0.44224%0.242SC..Hα-helixtrans-62.5-39.5174.1-71.3178.6-144.6-98.95.9111.7F1001 N1002 G1007 P1008 E1009 S1015F1001-R1011 HydrophobicContact CB-CG 3.76Å; F1001-R1011 HydrophobicContact CD1-CB 4.37Å; F1001-R1011 HydrophobicContact CD1-CG 3.65Å; F1001-R1011 HydrophobicContact CE1-CG 4.42Å; F1001-R1011 HydrophobicContact CG-CG 3.81Å; F1001-R1011 PolarHBondContact O-NE 3.32Å; F1001-R1011 VanDerWaalsContact O-NE 3.12Å; F1001-R1011 PolarHBondContact O-NH2 3.35Å; N1002-R1011 PolarHBondContact OD1-NH2 2.99Å; G1007-R1011 WeakPolarHBondContact O-CG 3.21Å; G1007-R1011 PolarHBondContact O-N 3.36Å; P1008-R1011 PolarHBondContact O-N 3.02Å; E1009-R1011 PolarHBondContact O-N 3.39Å; R1011-S1015 WeakPolarHBondContact O-CB 3.4Å; R1011-S1015 PolarHBondContact O-N 2.96Å; R1011-S1015 PolarHBondContact O-OG 3.49Å
1012R85.3Confident85.1Confident115 Ų11550.9 Ų50.943%0.43425%0.253SS..Hα-helixtrans-65.9-55.3179.2-174.1-172.6-176.71788.7111.7K739 P1008 E1009 A1010 F1014 S1015 D1016K739-R1012 VanDerWaalsContact NZ-NH2 3.14Å; P1008-R1012 PolarHBondContact O-N 3.07Å; P1008-R1012 VanDerWaalsContact O-N 3.12Å; E1009-R1012 WeakPolarHBondContact O-CB 3.33Å; E1009-R1012 PolarHBondContact O-N 3.24Å; E1009-R1012 IonicContact OE1-NH1 3.7Å; E1009-R1012 PolarHBondContact OE1-NH1 2.79Å; E1009-R1012 IonicContact OE2-NH1 2.75Å; A1010-R1012 VanDerWaalsContact C-N 3.31Å; A1010-R1012 PolarHBondContact O-N 2.87Å; R1012-F1014 VanDerWaalsContact C-N 3.25Å; R1012-F1014 PolarHBondContact O-N 3.28Å; R1012-S1015 WeakPolarHBondContact O-CA 3.43Å; R1012-S1015 WeakPolarHBondContact O-CB 3.29Å; R1012-S1015 PolarHBondContact O-N 2.86Å; R1012-D1016 PolarHBondContact O-N 2.9Å
1013V87.1Confident85.5Confident0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-59.5-39.5178.4174.60000110.6P735 F982 W986 L988 E1009 D1016 A1017 M1130P735-V1013 HydrophobicContact CB-CG2 3.78Å; P735-V1013 HydrophobicContact CG-CG2 3.56Å; F982-V1013 HydrophobicContact CE1-CG1 3.92Å; F982-V1013 HydrophobicContact CZ-CG1 3.92Å; W986-V1013 HydrophobicContact CD2-CG1 4.25Å; W986-V1013 HydrophobicContact CG-CG1 4.11Å; L988-V1013 HydrophobicContact CD1-CB 4.45Å; L988-V1013 HydrophobicContact CD1-CG2 4.31Å; E1009-V1013 WeakPolarHBondContact O-CG2 3.44Å; E1009-V1013 PolarHBondContact O-N 3.03Å; V1013-D1016 PolarHBondContact O-N 2.85Å; V1013-A1017 WeakPolarHBondContact O-CB 2.86Å; V1013-A1017 PolarHBondContact O-N 3.33Å; V1013-M1130 HydrophobicContact CG1-CE 4.01Å
1014F92.1Very high86.1Confident33 Ų3351.7 Ų51.715%0.14525%0.254CS..Hα-helixtrans-62.7-41.1173.7-178.1-103.2000112.6W979 F983 Y997 F1001 A1010 R1012 A1017 Q1018W979-F1014 HydrophobicContact CD2-CD2 4.1Å; W979-F1014 AromaticContact CD2-CE2 3.57Å; W979-F1014 HydrophobicContact CD2-CE2 3.57Å; W979-F1014 AromaticContact CE2-CE2 3.66Å; W979-F1014 AromaticContact CE3-CD2 3.86Å; W979-F1014 HydrophobicContact CE3-CD2 3.86Å; W979-F1014 AromaticContact CE3-CE2 3.77Å; W979-F1014 HydrophobicContact CE3-CE2 3.77Å; W979-F1014 HydrophobicContact CG-CE2 4.08Å; W979-F1014 HydrophobicContact CH2-CE2 4.16Å; W979-F1014 AromaticContact CZ2-CE2 3.99Å; W979-F1014 HydrophobicContact CZ2-CE2 3.99Å; W979-F1014 HydrophobicContact CZ3-CD2 4.1Å; W979-F1014 HydrophobicContact CZ3-CE2 4.05Å; F983-F1014 HydrophobicContact CE1-CB 4.39Å; F983-F1014 HydrophobicContact CZ-CB 4.04Å; F983-F1014 HydrophobicContact CZ-CD2 4.07Å; F983-F1014 HydrophobicContact CZ-CG 4.42Å; Y997-F1014 HydrophobicContact CE2-CD2 4.29Å; Y997-F1014 AromaticContact CE2-CE2 3.79Å; Y997-F1014 HydrophobicContact CE2-CE2 3.79Å; Y997-F1014 HydrophobicContact CE2-CZ 4.11Å; F1001-F1014 HydrophobicContact CE1-CB 3.71Å; F1001-F1014 HydrophobicContact CE1-CD1 4.31Å; F1001-F1014 HydrophobicContact CE1-CD2 4.47Å; F1001-F1014 AromaticContact CE1-CG 3.94Å; F1001-F1014 HydrophobicContact CE1-CG 3.94Å; F1001-F1014 HydrophobicContact CE2-CD1 4.3Å; F1001-F1014 HydrophobicContact CE2-CE1 4.44Å; F1001-F1014 HydrophobicContact CZ-CB 3.78Å; F1001-F1014 AromaticContact CZ-CD1 3.58Å; F1001-F1014 HydrophobicContact CZ-CD1 3.58Å; F1001-F1014 AromaticContact CZ-CD2 3.82Å; F1001-F1014 HydrophobicContact CZ-CD2 3.82Å; F1001-F1014 HydrophobicContact CZ-CE1 4.06Å; F1001-F1014 HydrophobicContact CZ-CE2 4.26Å; F1001-F1014 AromaticContact CZ-CG 3.44Å; F1001-F1014 HydrophobicContact CZ-CG 3.44Å; F1001-F1014 VanDerWaalsContact CZ-CG 3.44Å; F1001-F1014 HydrophobicContact CZ-CZ 4.38Å; A1010-F1014 WeakPolarHBondContact O-CB 3.45Å; A1010-F1014 PolarHBondContact O-N 3.01Å; R1012-F1014 VanDerWaalsContact C-N 3.25Å; R1012-F1014 PolarHBondContact O-N 3.28Å; F1014-A1017 WeakPolarHBondContact O-CB 3.26Å; F1014-A1017 PolarHBondContact O-N 3.05Å; F1014-Q1018 HydrophobicContact CD1-CG 4.13Å; F1014-Q1018 HydrophobicContact CE1-CG 3.8Å; F1014-Q1018 HydrophobicContact CE2-CG 4.3Å; F1014-Q1018 HydrophobicContact CZ-CG 3.9Å; F1014-Q1018 WeakPolarHBondContact O-CB 3.43Å; F1014-Q1018 WeakPolarHBondContact O-CG 3.36Å; F1014-Q1018 PolarHBondContact O-N 3.22Å
1015S90.5Very high87.3Confident61 Ų6145.9 Ų45.943%0.42723%0.229SC..Hα-helixtrans-64.9-44177-57.70000111.4R1011 R1012 A1017 Q1018 L1019R1011-S1015 WeakPolarHBondContact O-CB 3.4Å; R1011-S1015 PolarHBondContact O-N 2.96Å; R1011-S1015 PolarHBondContact O-OG 3.49Å; R1012-S1015 WeakPolarHBondContact O-CA 3.43Å; R1012-S1015 WeakPolarHBondContact O-CB 3.29Å; R1012-S1015 PolarHBondContact O-N 2.86Å; S1015-A1017 VanDerWaalsContact C-N 3.32Å; S1015-A1017 PolarHBondContact O-N 2.96Å; S1015-Q1018 PolarHBondContact O-N 2.99Å; S1015-L1019 WeakPolarHBondContact O-CG 3.39Å; S1015-L1019 PolarHBondContact O-N 3.38Å
1016D88.3Confident88.2Confident52 Ų5248.8 Ų48.828%0.27824%0.242SC..Hα-helixtrans-60.4-44174.8-65.9-11.2000111R1012 V1013 L1019 L1020 Y1126 M1130R1012-D1016 PolarHBondContact O-N 2.9Å; V1013-D1016 PolarHBondContact O-N 2.85Å; D1016-L1019 PolarHBondContact O-N 3.05Å; D1016-L1020 WeakPolarHBondContact O-CB 3.31Å; D1016-L1020 PolarHBondContact O-N 2.78Å; D1016-Y1126 HydrophobicContact CB-CE1 4.35Å; D1016-Y1126 PolarHBondContact OD2-OH 2.87Å; D1016-M1130 HydrophobicContact CB-CE 4.39Å
1017A92.1Very high88.7Confident0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-61.8-44.7177.900000112W979 F982 V1013 F1014 S1015 L1020 L1021 M1130 L1134W979-A1017 HydrophobicContact CZ3-CB 4.33Å; F982-A1017 HydrophobicContact CE1-CB 4.14Å; F982-A1017 HydrophobicContact CE2-CB 4.07Å; F982-A1017 HydrophobicContact CZ-CB 3.49Å; F982-A1017 VanDerWaalsContact CZ-CB 3.49Å; V1013-A1017 WeakPolarHBondContact O-CB 2.86Å; V1013-A1017 PolarHBondContact O-N 3.33Å; F1014-A1017 WeakPolarHBondContact O-CB 3.26Å; F1014-A1017 PolarHBondContact O-N 3.05Å; S1015-A1017 VanDerWaalsContact C-N 3.32Å; S1015-A1017 PolarHBondContact O-N 2.96Å; A1017-L1020 PolarHBondContact O-N 3.25Å; A1017-L1021 WeakPolarHBondContact O-CB 3.46Å; A1017-L1021 PolarHBondContact O-N 2.92Å; A1017-M1130 HydrophobicContact CB-CE 4.28Å; A1017-M1130 HydrophobicContact CB-SD 3.68Å; A1017-L1134 HydrophobicContact CB-CD2 4.19Å
1018Q92.4Very high88.8Confident51 Ų5156.3 Ų56.324%0.23829%0.286CS..Hα-helixtrans-62-45.3176.4-71.9-72.9-42.800111.5W979 F1014 S1015 L1021 H1022W979-Q1018 VanDerWaalsContact CH2-NE2 3.26Å; F1014-Q1018 HydrophobicContact CD1-CG 4.13Å; F1014-Q1018 HydrophobicContact CE1-CG 3.8Å; F1014-Q1018 HydrophobicContact CE2-CG 4.3Å; F1014-Q1018 HydrophobicContact CZ-CG 3.9Å; F1014-Q1018 WeakPolarHBondContact O-CB 3.43Å; F1014-Q1018 WeakPolarHBondContact O-CG 3.36Å; F1014-Q1018 PolarHBondContact O-N 3.22Å; S1015-Q1018 PolarHBondContact O-N 2.99Å; Q1018-L1021 PolarHBondContact O-N 2.66Å; Q1018-H1022 PolarHBondContact O-CD2 2.94Å; Q1018-H1022 PolarHBondContact O-N 3.24Å
1019L91.7Very high89.1Confident125 Ų12554.3 Ų54.365%0.65427%0.274SS*.Hα-helixtrans-60.8-48177.8-72.7170.3000111.7S1015 D1016 H1023S1015-L1019 WeakPolarHBondContact O-CG 3.39Å; S1015-L1019 PolarHBondContact O-N 3.38Å; D1016-L1019 PolarHBondContact O-N 3.05Å; L1019-H1023 WeakPolarHBondContact O-CB 3.45Å; L1019-H1023 PolarHBondContact O-N 2.86Å
1020L91.4Very high89.6Confident23 Ų2353.6 Ų53.612%0.1227%0.271CS..Hα-helixtrans-67.6-38.8179.4-172.361.9000111.6D1016 A1017 H1023 M1024 F1119 M1130 V1131 L1134D1016-L1020 WeakPolarHBondContact O-CB 3.31Å; D1016-L1020 PolarHBondContact O-N 2.78Å; A1017-L1020 PolarHBondContact O-N 3.25Å; L1020-H1023 PolarHBondContact O-N 2.94Å; L1020-M1024 HydrophobicContact CD1-CG 4.5Å; L1020-M1024 HydrophobicContact CG-CE 4.22Å; L1020-M1024 HydrophobicContact CG-CG 4.44Å; L1020-M1024 HydrophobicContact CG-SD 4.4Å; L1020-M1024 WeakPolarHBondContact O-CB 3.46Å; L1020-M1024 VanDerWaalsContact O-CG 3.28Å; L1020-M1024 WeakPolarHBondContact O-CG 3.41Å; L1020-M1024 PolarHBondContact O-N 2.98Å; L1020-F1119 HydrophobicContact CD1-CZ 4.48Å; L1020-M1130 HydrophobicContact CD2-CB 3.96Å; L1020-M1130 HydrophobicContact CD2-CG 3.57Å; L1020-V1131 HydrophobicContact CD2-CG2 3.87Å; L1020-L1134 HydrophobicContact CB-CD1 4.31Å; L1020-L1134 HydrophobicContact CD2-CD1 4.36Å; L1020-L1134 HydrophobicContact CG-CD1 4.44Å
1021L92.8Very high89.9Confident0 Ų058.5 Ų58.50%029%0.292CS..Hα-helixtrans-60.2-49.6176.6-178.259.8000111.6L974 I977 W979 A1017 Q1018 H1023 M1024 I1025 L1134 L1138L974-L1021 HydrophobicContact CD2-CD1 4.46Å; L974-L1021 HydrophobicContact CD2-CD2 3.47Å; L974-L1021 VanDerWaalsContact CD2-CD2 3.47Å; L974-L1021 HydrophobicContact CD2-CG 3.99Å; I977-L1021 HydrophobicContact CD1-CD2 4.08Å; W979-L1021 HydrophobicContact CH2-CD2 4.12Å; W979-L1021 HydrophobicContact CZ2-CD2 4.42Å; A1017-L1021 WeakPolarHBondContact O-CB 3.46Å; A1017-L1021 PolarHBondContact O-N 2.92Å; Q1018-L1021 PolarHBondContact O-N 2.66Å; L1021-H1023 PolarHBondContact O-N 3.3Å; L1021-M1024 HydrophobicContact CD1-CE 4.42Å; L1021-M1024 PolarHBondContact O-N 3.43Å; L1021-I1025 HydrophobicContact CD1-CD1 3.98Å; L1021-I1025 HydrophobicContact CD1-CG1 4.44Å; L1021-I1025 HydrophobicContact CG-CD1 4.08Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.17Å; L1021-I1025 PolarHBondContact O-N 3.4Å; L1021-L1134 HydrophobicContact CB-CD1 4.13Å; L1021-L1134 HydrophobicContact CB-CD2 4.31Å; L1021-L1134 HydrophobicContact CD1-CD2 4.42Å; L1021-L1134 HydrophobicContact CD2-CD2 4.37Å; L1021-L1138 HydrophobicContact CD1-CD1 3.78Å; L1021-L1138 HydrophobicContact CD1-CD2 4.23Å; L1021-L1138 HydrophobicContact CD1-CG 4.11Å
1022H91.3Very high90.1Very high74 Ų7453 Ų5334%0.34327%0.272SS..Hα-helixtrans-59.9-46.3175-76.6-58.2000111.5Q1018 M1024 I1025 D1026Q1018-H1022 PolarHBondContact O-CD2 2.94Å; Q1018-H1022 PolarHBondContact O-N 3.24Å; H1022-M1024 VanDerWaalsContact C-N 3.34Å; H1022-M1024 PolarHBondContact O-N 3.49Å; H1022-I1025 PolarHBondContact O-N 3.36Å; H1022-D1026 VanDerWaalsContact O-CB 3.32Å; H1022-D1026 WeakPolarHBondContact O-CB 3.27Å; H1022-D1026 PolarHBondContact O-N 3.28Å
1023H90.3Very high90.6Very high119 Ų11951.2 Ų51.255%0.55127%0.265SS*.Hα-helixtrans-58.3-43.5176.6178.6-88.1000112.6L1019 L1020 L1021 S1027L1019-H1023 WeakPolarHBondContact O-CB 3.45Å; L1019-H1023 PolarHBondContact O-N 2.86Å; L1020-H1023 PolarHBondContact O-N 2.94Å; L1021-H1023 PolarHBondContact O-N 3.3Å; H1023-S1027 WeakPolarHBondContact O-CB 3.18Å; H1023-S1027 PolarHBondContact O-N 2.84Å; H1023-S1027 PolarHBondContact O-OG 2.63Å
1024M91.6Very high91Very high3 Ų351.2 Ų51.22%0.01527%0.265CS..Hα-helixtrans-65.8-37.8179.2-73.8-172.5-60.100112.9L1020 L1021 H1022 S1027 N1028 S1029 L1030 L1115 V1131 L1134L1020-M1024 HydrophobicContact CD1-CG 4.5Å; L1020-M1024 HydrophobicContact CG-CE 4.22Å; L1020-M1024 HydrophobicContact CG-CG 4.44Å; L1020-M1024 HydrophobicContact CG-SD 4.4Å; L1020-M1024 WeakPolarHBondContact O-CB 3.46Å; L1020-M1024 VanDerWaalsContact O-CG 3.28Å; L1020-M1024 WeakPolarHBondContact O-CG 3.41Å; L1020-M1024 PolarHBondContact O-N 2.98Å; L1021-M1024 HydrophobicContact CD1-CE 4.42Å; L1021-M1024 PolarHBondContact O-N 3.43Å; H1022-M1024 VanDerWaalsContact C-N 3.34Å; H1022-M1024 PolarHBondContact O-N 3.49Å; M1024-S1027 PolarHBondContact O-OG 2.66Å; M1024-N1028 PolarHBondContact O-N 3.45Å; M1024-S1029 PolarHBondContact O-N 2.87Å; M1024-L1030 HydrophobicContact CB-CD1 4.08Å; M1024-L1030 HydrophobicContact CB-CG 4.19Å; M1024-L1030 HydrophobicContact CE-CD1 3.88Å; M1024-L1030 HydrophobicContact CG-CD1 4.48Å; M1024-L1030 HydrophobicContact SD-CD1 3.7Å; M1024-L1030 HydrophobicContact SD-CG 4.14Å; M1024-L1115 HydrophobicContact CG-CD1 4.31Å; M1024-L1115 HydrophobicContact SD-CD1 4.02Å; M1024-V1131 HydrophobicContact SD-CB 4.29Å; M1024-V1131 HydrophobicContact SD-CG1 3.92Å; M1024-V1131 HydrophobicContact SD-CG2 3.77Å; M1024-L1134 HydrophobicContact CE-CB 3.87Å; M1024-L1134 HydrophobicContact CE-CD1 3.48Å; M1024-L1134 VanDerWaalsContact CE-CD1 3.48Å; M1024-L1134 HydrophobicContact CE-CG 4.34Å
1025I88.9Confident91.2Very high17 Ų1749.7 Ų49.79%0.08726%0.258CS..Hα-helixtrans-71.9-47.8177.4-66.4172.3000110.4L970 N971 L974 L1021 H1022 S1027 N1028L970-I1025 HydrophobicContact CB-CD1 4.07Å; L970-I1025 HydrophobicContact CB-CG1 3.96Å; L970-I1025 HydrophobicContact CB-CG2 4.38Å; L970-I1025 HydrophobicContact CD1-CG1 4.27Å; N971-I1025 WeakPolarHBondContact ND2-CG2 3.34Å; L974-I1025 HydrophobicContact CD1-CD1 4.48Å; L974-I1025 HydrophobicContact CD2-CD1 3.87Å; L974-I1025 HydrophobicContact CG-CD1 4.45Å; L1021-I1025 HydrophobicContact CD1-CD1 3.98Å; L1021-I1025 HydrophobicContact CD1-CG1 4.44Å; L1021-I1025 HydrophobicContact CG-CD1 4.08Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.17Å; L1021-I1025 PolarHBondContact O-N 3.4Å; H1022-I1025 PolarHBondContact O-N 3.36Å; I1025-S1027 PolarHBondContact O-N 2.96Å; I1025-N1028 PolarHBondContact O-N 3.4Å
1026D88.1Confident91.6Very high126 Ų12646.8 Ų46.867%0.67424%0.238SC*.Hα-helixtrans-66.7-36.2-177.4-68.5-18.9000112.4H1022 N1028H1022-D1026 VanDerWaalsContact O-CB 3.32Å; H1022-D1026 WeakPolarHBondContact O-CB 3.27Å; H1022-D1026 PolarHBondContact O-N 3.28Å; D1026-N1028 PolarHBondContact O-N 2.85Å
1027S87.6Confident91.9Very high54 Ų5444.3 Ų44.338%0.37823%0.225SC..THydrogen-bonded Turntrans-79-4.7174.362.20000113.7H1023 M1024 I1025 S1029H1023-S1027 WeakPolarHBondContact O-CB 3.18Å; H1023-S1027 PolarHBondContact O-N 2.84Å; H1023-S1027 PolarHBondContact O-OG 2.63Å; M1024-S1027 PolarHBondContact O-OG 2.66Å; I1025-S1027 PolarHBondContact O-N 2.96Å; S1027-S1029 PolarHBondContact O-N 2.88Å; S1027-S1029 PolarHBondContact OG-OG 2.66Å
1028N85.9Confident92.2Very high108 Ų10844.3 Ų44.358%0.57823%0.225SC*.THydrogen-bonded Turntrans54.332.5-175-155.317.6000113M1024 I1025 D1026 L1030M1024-N1028 PolarHBondContact O-N 3.45Å; I1025-N1028 PolarHBondContact O-N 3.4Å; D1026-N1028 PolarHBondContact O-N 2.85Å; N1028-L1030 VanDerWaalsContact C-N 3.3Å
1029S88.8Confident92.3Very high46 Ų4642.8 Ų42.832%0.32222%0.217SC..  trans-77.3-19.1-179.5-60.50000112.3M1024 S1027M1024-S1029 PolarHBondContact O-N 2.87Å; S1027-S1029 PolarHBondContact O-N 2.88Å; S1027-S1029 PolarHBondContact OG-OG 2.66Å
1030L91.8Very high92.5Very high1 Ų137.6 Ų37.61%0.00519%0.189CC..SBendtrans-115.3143.4171.8-64.3-179.1000110.5L970 M1024 N1028 V1109 F1110 A1112 L1115 L1138L970-L1030 HydrophobicContact CD1-CB 3.88Å; L970-L1030 WeakPolarHBondContact CD1-O 3.29Å; M1024-L1030 HydrophobicContact CB-CD1 4.08Å; M1024-L1030 HydrophobicContact CB-CG 4.19Å; M1024-L1030 HydrophobicContact CE-CD1 3.88Å; M1024-L1030 HydrophobicContact CG-CD1 4.48Å; M1024-L1030 HydrophobicContact SD-CD1 3.7Å; M1024-L1030 HydrophobicContact SD-CG 4.14Å; N1028-L1030 VanDerWaalsContact C-N 3.3Å; L1030-V1109 HydrophobicContact CB-CG1 4.12Å; L1030-V1109 HydrophobicContact CD1-CG1 4.25Å; L1030-V1109 HydrophobicContact CD2-CG1 4.36Å; L1030-V1109 HydrophobicContact CG-CG1 4.49Å; L1030-F1110 VanDerWaalsContact CA-O 3.3Å; L1030-F1110 WeakPolarHBondContact CA-O 3.14Å; L1030-A1112 HydrophobicContact CD2-CB 4.04Å; L1030-L1115 HydrophobicContact CD2-CD1 3.97Å; L1030-L1115 HydrophobicContact CG-CD1 4.4Å; L1030-L1138 HydrophobicContact CD1-CD1 3.93Å
1031K91.9Very high92.7Very high104 Ų10436.5 Ų36.545%0.45218%0.183SC..EExtended strand (participates in β ladder)trans-128.6124.2178-64-177.6-176.7176.20111.2F1110K1031-F1110 PolarHBondContact N-O 2.93Å; K1031-F1110 PolarHBondContact O-N 3.29Å
1032G93Very high92.8Very high1 Ų136.6 Ų36.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-88.1124.2174.300000111.3Y968Y968-G1032 PolarHBondContact N-O 3.05Å
1033R95.6Very high92.9Very high78 Ų7833.5 Ų33.529%0.29417%0.17SC..EExtended strand (participates in β ladder)trans-123.5140.9173.4-69179164.6-179.2-10.5110.6F965 D966 V1107 G1108 F1110 F1142 T1204F965-R1033 CarbonylContact O-C 3.57Å; F965-R1033 VanDerWaalsContact O-CA 3.28Å; F965-R1033 WeakPolarHBondContact O-CA 3.49Å; D966-R1033 VanDerWaalsContact O-CG 3.26Å; D966-R1033 WeakPolarHBondContact O-CG 3.5Å; D966-R1033 IonicContact OD1-CZ 3.67Å; D966-R1033 IonicContact OD1-NE 3.31Å; D966-R1033 PolarHBondContact OD1-NE 2.86Å; D966-R1033 IonicContact OD1-NH2 2.74Å; D966-R1033 PolarHBondContact OD1-NH2 3.24Å; R1033-V1107 CarbonylContact O-C 3.42Å; R1033-V1107 WeakPolarHBondContact O-CA 3.35Å; R1033-G1108 PolarHBondContact N-O 2.93Å; R1033-G1108 PolarHBondContact O-N 3.35Å; R1033-F1110 HydrophobicContact CB-CD2 4.2Å; R1033-F1110 HydrophobicContact CB-CE2 3.81Å; R1033-F1110 HydrophobicContact CG-CD2 4.19Å; R1033-F1110 HydrophobicContact CG-CE2 4.17Å; R1033-F1142 WeakPolarHBondContact O-CE1 3.22Å; R1033-T1204 VanDerWaalsContact CD-O 3.26Å; R1033-T1204 WeakPolarHBondContact CD-O 3.4Å
1034G95.4Very high93Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-153.8160.3-178.500000113.3F965 A1106F965-G1034 PolarHBondContact N-O 3.42Å; F965-G1034 PolarHBondContact O-N 3.3Å; G1034-A1106 CarbonylContact C-O 3.56Å; G1034-A1106 VanDerWaalsContact CA-O 3.24Å; G1034-A1106 WeakPolarHBondContact CA-O 3.26Å
1035L96.7Very high93.1Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-137.4143.7172.8170.6153.4000108.7T962 R963 V964 L1104 F1105 A1106 A1198 E1203 T1204T962-L1035 HydrophobicContact CG2-CD1 4.04Å; T962-L1035 HydrophobicContact CG2-CD2 4.23Å; T962-L1035 HydrophobicContact CG2-CG 4.42Å; R963-L1035 WeakPolarHBondContact O-CA 3.3Å; V964-L1035 HydrophobicContact CG2-CD1 4.18Å; L1035-L1104 HydrophobicContact CD2-CD2 3.96Å; L1035-F1105 VanDerWaalsContact O-CA 3.24Å; L1035-F1105 WeakPolarHBondContact O-CA 3.2Å; L1035-A1106 PolarHBondContact N-O 2.91Å; L1035-A1106 PolarHBondContact O-N 3.29Å; L1035-A1198 HydrophobicContact CD1-CB 4.41Å; L1035-A1198 WeakPolarHBondContact CD1-O 3.47Å; L1035-A1198 HydrophobicContact CD2-CB 3.76Å; L1035-E1203 HydrophobicContact CD1-CB 4.1Å; L1035-E1203 HydrophobicContact CD1-CG 4.45Å; L1035-T1204 HydrophobicContact CB-CG2 3.59Å
1036V97.3Very high93.4Very high0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-130.2145.3166.164.50000109.3F959 T962 R963 F965 F1038 L1104 L1146 V1150 L1154 Y1224F959-V1036 HydrophobicContact CZ-CG1 4.29Å; T962-V1036 CarbonylContact C-O 3.52Å; T962-V1036 WeakPolarHBondContact CA-O 3.41Å; R963-V1036 HydrophobicContact CB-CG1 4.21Å; R963-V1036 PolarHBondContact N-O 3.35Å; R963-V1036 PolarHBondContact O-N 3.01Å; F965-V1036 HydrophobicContact CE2-CG1 3.79Å; F965-V1036 HydrophobicContact CZ-CG1 4.42Å; V1036-F1038 HydrophobicContact CG2-CE1 4.2Å; V1036-F1038 HydrophobicContact CG2-CE2 4.25Å; V1036-F1038 HydrophobicContact CG2-CZ 3.79Å; V1036-L1104 CarbonylContact C-O 3.51Å; V1036-L1104 WeakPolarHBondContact CA-O 3.46Å; V1036-L1146 HydrophobicContact CB-CD1 4.33Å; V1036-L1146 HydrophobicContact CB-CD2 4.31Å; V1036-L1146 HydrophobicContact CG1-CD1 4.37Å; V1036-V1150 HydrophobicContact CG2-CG2 3.78Å; V1036-L1154 HydrophobicContact CG1-CD1 3.81Å; V1036-Y1224 HydrophobicContact CG2-CE2 4.08Å
1037G96.1Very high93.8Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-147.8160170.400000112.9G961 W1039 G1103 L1104G961-G1037 CarbonylContact O-C 3.57Å; G961-G1037 WeakPolarHBondContact O-CA 3.17Å; G1037-W1039 WeakPolarHBondContact O-CZ3 3.47Å; G1037-G1103 CarbonylContact O-C 3.56Å; G1037-G1103 VanDerWaalsContact O-CA 3.23Å; G1037-G1103 WeakPolarHBondContact O-CA 3.44Å; G1037-L1104 PolarHBondContact N-O 3.34Å; G1037-L1104 PolarHBondContact O-N 2.92Å
1038F96.8Very high94.2Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-132.9140.2178-51-71.9000110.8P957 F959 L960 G961 V1036 I1102 V1150 L1154 W1155P957-F1038 HydrophobicContact CB-CB 3.91Å; P957-F1038 HydrophobicContact CB-CD1 4.43Å; P957-F1038 HydrophobicContact CB-CD2 3.91Å; P957-F1038 HydrophobicContact CB-CG 3.82Å; P957-F1038 HydrophobicContact CG-CB 3.75Å; P957-F1038 HydrophobicContact CG-CD1 4.33Å; P957-F1038 HydrophobicContact CG-CG 3.97Å; F959-F1038 HydrophobicContact CD1-CD2 4.36Å; F959-F1038 HydrophobicContact CD1-CE2 4.34Å; F959-F1038 HydrophobicContact CD2-CD2 4.49Å; F959-F1038 AromaticContact CE1-CD2 3.95Å; F959-F1038 HydrophobicContact CE1-CD2 3.95Å; F959-F1038 AromaticContact CE1-CE2 3.63Å; F959-F1038 HydrophobicContact CE1-CE2 3.63Å; F959-F1038 HydrophobicContact CE2-CD2 4.08Å; F959-F1038 HydrophobicContact CE2-CE2 4.4Å; F959-F1038 AromaticContact CZ-CD2 3.79Å; F959-F1038 HydrophobicContact CZ-CD2 3.79Å; F959-F1038 AromaticContact CZ-CE2 3.65Å; F959-F1038 HydrophobicContact CZ-CE2 3.65Å; F959-F1038 WeakPolarHBondContact O-CD2 3.49Å; L960-F1038 WeakPolarHBondContact CA-O 3.34Å; L960-F1038 HydrophobicContact CD2-CB 4.16Å; G961-F1038 PolarHBondContact N-O 3.03Å; G961-F1038 PolarHBondContact O-N 3.34Å; G961-F1038 VanDerWaalsContact O-N 3.08Å; V1036-F1038 HydrophobicContact CG2-CE1 4.2Å; V1036-F1038 HydrophobicContact CG2-CE2 4.25Å; V1036-F1038 HydrophobicContact CG2-CZ 3.79Å; F1038-I1102 WeakPolarHBondContact CA-O 3.25Å; F1038-V1150 HydrophobicContact CE1-CG1 3.76Å; F1038-V1150 HydrophobicContact CE1-CG2 4.46Å; F1038-V1150 HydrophobicContact CZ-CB 4.45Å; F1038-V1150 HydrophobicContact CZ-CG1 3.87Å; F1038-V1150 HydrophobicContact CZ-CG2 4.02Å; F1038-L1154 HydrophobicContact CE2-CB 3.81Å; F1038-L1154 HydrophobicContact CZ-CB 3.88Å; F1038-W1155 HydrophobicContact CD1-CD2 4.1Å; F1038-W1155 AromaticContact CD1-CE3 3.72Å; F1038-W1155 HydrophobicContact CD1-CE3 3.72Å; F1038-W1155 HydrophobicContact CD1-CZ3 4.25Å; F1038-W1155 HydrophobicContact CE1-CB 4Å; F1038-W1155 HydrophobicContact CE1-CD2 4.08Å; F1038-W1155 AromaticContact CE1-CE3 3.56Å; F1038-W1155 HydrophobicContact CE1-CE3 3.56Å; F1038-W1155 HydrophobicContact CE1-CG 4.3Å; F1038-W1155 HydrophobicContact CE1-CZ3 4.36Å; F1038-W1155 HydrophobicContact CZ-CB 4.06Å
1039W95.8Very high94.7Very high19 Ų1922.5 Ų22.57%0.07212%0.123CC..EExtended strand (participates in β ladder)trans-136.9155.4178.5-66.4-96.5000110.9T962 G1037 A1041 V1050 Y1101 I1102 L1104 L1197 A1198T962-W1039 HydrophobicContact CG2-CH2 3.68Å; T962-W1039 HydrophobicContact CG2-CZ2 3.66Å; G1037-W1039 WeakPolarHBondContact O-CZ3 3.47Å; W1039-A1041 PolarHBondContact O-N 3.25Å; W1039-V1050 HydrophobicContact CB-CG1 3.25Å; W1039-V1050 HydrophobicContact CD2-CG1 4.46Å; W1039-V1050 HydrophobicContact CG-CG1 3.68Å; W1039-Y1101 VanDerWaalsContact O-CA 3.3Å; W1039-Y1101 WeakPolarHBondContact O-CA 3.35Å; W1039-I1102 PolarHBondContact N-O 3.04Å; W1039-I1102 PolarHBondContact O-N 3.45Å; W1039-L1104 HydrophobicContact CH2-CB 4.44Å; W1039-L1104 HydrophobicContact CZ3-CB 3.76Å; W1039-L1197 HydrophobicContact CD2-CD1 4.5Å; W1039-L1197 HydrophobicContact CD2-CD2 4.02Å; W1039-L1197 HydrophobicContact CD2-CG 4.29Å; W1039-L1197 HydrophobicContact CE3-CD2 4.12Å; W1039-L1197 HydrophobicContact CH2-CD2 4.44Å; W1039-L1197 HydrophobicContact CH2-CG 4.32Å; W1039-L1197 HydrophobicContact CZ2-CD1 4.39Å; W1039-L1197 HydrophobicContact CZ2-CD2 4.32Å; W1039-L1197 HydrophobicContact CZ2-CG 3.87Å; W1039-L1197 HydrophobicContact CZ3-CD2 4.35Å; W1039-A1198 HydrophobicContact CH2-CB 3.92Å; W1039-A1198 HydrophobicContact CZ2-CB 4.41Å
1040R95Very high95Very high16 Ų1620.3 Ų20.36%0.0611%0.107CC..EExtended strand (participates in β ladder)trans-60.1128.4167.3176.258.4174.8177.9-5.7109.3V1050 Y1051 V1057 P1099 D1100R1040-V1050 CarbonylContact O-C 3.58Å; R1040-V1050 WeakPolarHBondContact O-CA 3.39Å; R1040-Y1051 HydrophobicContact CG-CD2 4.09Å; R1040-Y1051 HydrophobicContact CG-CG 4.43Å; R1040-Y1051 PolarHBondContact O-N 3.23Å; R1040-V1057 HydrophobicContact CG-CG2 4.22Å; R1040-P1099 VanDerWaalsContact CZ-CA 3.41Å; R1040-P1099 VanDerWaalsContact CZ-CB 3.46Å; R1040-D1100 WeakPolarHBondContact CD-O 3.36Å; R1040-D1100 PolarHBondContact NH1-O 2.89Å
1041A95.3Very high95Very high0 Ų020.6 Ų20.60%011%0.108CC..EExtended strand (participates in β ladder)trans-138.9148.8-179.100000113.1W1039 I1048 N1049 V1091 D1100 I1102W1039-A1041 PolarHBondContact O-N 3.25Å; A1041-I1048 HydrophobicContact CB-CG2 3.94Å; A1041-N1049 VanDerWaalsContact CA-O 3.24Å; A1041-N1049 WeakPolarHBondContact CA-O 3.38Å; A1041-V1091 HydrophobicContact CB-CG1 4.11Å; A1041-D1100 PolarHBondContact N-O 3.45Å; A1041-D1100 VanDerWaalsContact N-O 3.11Å; A1041-D1100 CarbonylContact O-C 3.58Å; A1041-D1100 VanDerWaalsContact O-O 3.07Å; A1041-I1102 HydrophobicContact CB-CB 3.8Å; A1041-I1102 HydrophobicContact CB-CG2 3.69Å
1042Q94.8Very high94.4Very high3 Ų323 Ų231%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-143.6143.8172.3-68.2-72.4-66.200109.6N1049 Y1051 V1057 A1092 P1093 V1094 V1098Q1042-N1049 PolarHBondContact N-O 3.48Å; Q1042-N1049 PolarHBondContact O-N 2.99Å; Q1042-Y1051 HydrophobicContact CB-CE2 4.31Å; Q1042-Y1051 HydrophobicContact CG-CE2 4.46Å; Q1042-V1057 HydrophobicContact CG-CB 4.1Å; Q1042-V1057 HydrophobicContact CG-CG1 4.07Å; Q1042-V1057 HydrophobicContact CG-CG2 4.19Å; Q1042-A1092 CarbonylContact C-O 3.5Å; Q1042-A1092 VanDerWaalsContact CA-O 3.22Å; Q1042-A1092 WeakPolarHBondContact CA-O 3.4Å; Q1042-A1092 VanDerWaalsContact CD-O 3.31Å; Q1042-A1092 PolarHBondContact OE1-O 3.25Å; Q1042-A1092 VanDerWaalsContact OE1-O 3.13Å; Q1042-P1093 PolarHBondContact OE1-O 3.39Å; Q1042-V1094 HydrophobicContact CB-CG2 3.56Å; Q1042-V1094 HydrophobicContact CG-CG2 4.3Å; Q1042-V1098 PolarHBondContact NE2-O 3.49Å
1043S94.8Very high93.8Very high9 Ų927.9 Ų27.96%0.06315%0.145CC..EExtended strand (participates in β ladder)trans-81.5144.2173.260.90000111.8D1047 S1088 V1091 A1092 P1093 V1094S1043-D1047 CarbonylContact C-O 3.46Å; S1043-D1047 VanDerWaalsContact CA-O 3.25Å; S1043-D1047 WeakPolarHBondContact CA-O 2.86Å; S1043-S1088 VanDerWaalsContact CB-O 3.25Å; S1043-S1088 WeakPolarHBondContact CB-O 3.36Å; S1043-V1091 WeakPolarHBondContact CB-O 3.27Å; S1043-V1091 PolarHBondContact OG-O 3.23Å; S1043-A1092 PolarHBondContact N-O 3.29Å; S1043-P1093 WeakPolarHBondContact O-CA 3.26Å; S1043-P1093 WeakPolarHBondContact OG-CA 3.34Å; S1043-P1093 WeakPolarHBondContact OG-CB 3.34Å; S1043-V1094 PolarHBondContact O-N 2.98Å
1044M92.9Very high93.1Very high103 Ų10327.2 Ų27.251%0.50715%0.147SC..EExtended strand (participates in β ladder)trans-137.298.3172.7-173.2174-170.900108.6D1046 D1047M1044-D1046 PolarHBondContact O-N 2.93Å; M1044-D1047 PolarHBondContact N-O 2.96Å; M1044-D1047 PolarHBondContact O-N 3.37Å
1045G92.3Very high92.4Very high56 Ų5630.2 Ų30.258%0.57717%0.165SC*.THydrogen-bonded Turntrans64-124.4-169.200000110.9D1047 S1088G1045-D1047 VanDerWaalsContact C-N 3.32Å; G1045-S1088 PolarHBondContact O-OG 3.13Å
1046D95.3Very high91.6Very high3 Ų335.4 Ų35.42%0.01620%0.197CC..THydrogen-bonded Turntrans-89.23.2180-57.4-35.1000113.3R940 M1044 G1069 R1071 S1088R940-D1046 IonicContact CZ-OD2 3.83Å; R940-D1046 IonicContact NE-OD1 3.38Å; R940-D1046 IonicContact NE-OD2 3.61Å; R940-D1046 PolarHBondContact NE-OD2 3.09Å; R940-D1046 IonicContact NH2-OD2 2.77Å; R940-D1046 PolarHBondContact NH2-OD2 3.46Å; M1044-D1046 PolarHBondContact O-N 2.93Å; D1046-G1069 WeakPolarHBondContact O-CA 3.28Å; D1046-G1069 PolarHBondContact O-N 3.48Å; D1046-R1071 IonicContact OD1-CZ 2.87Å; D1046-R1071 IonicContact OD1-NE 2.84Å; D1046-R1071 PolarHBondContact OD1-NE 2.93Å; D1046-R1071 IonicContact OD1-NH2 3.65Å; D1046-R1071 PolarHBondContact OD1-NH2 2.63Å; D1046-S1088 VanDerWaalsContact CA-OG 3.27Å; D1046-S1088 WeakPolarHBondContact CA-OG 3.39Å; D1046-S1088 WeakPolarHBondContact O-CB 3.48Å; D1046-S1088 PolarHBondContact O-OG 3.33Å
1047D96.3Very high90.9Very high17 Ų1736 Ų369%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-108.2158.3-176.6-70.6-18.9000112.7S1043 M1044 G1045 T1066 F1067 H1068 R1249S1043-D1047 CarbonylContact C-O 3.46Å; S1043-D1047 VanDerWaalsContact CA-O 3.25Å; S1043-D1047 WeakPolarHBondContact CA-O 2.86Å; M1044-D1047 PolarHBondContact N-O 2.96Å; M1044-D1047 PolarHBondContact O-N 3.37Å; G1045-D1047 VanDerWaalsContact C-N 3.32Å; D1047-T1066 HydrophobicContact CB-CG2 3.8Å; D1047-F1067 WeakPolarHBondContact CA-O 3.47Å; D1047-H1068 VanDerWaalsContact CG-ND1 3.28Å; D1047-H1068 VanDerWaalsContact OD1-CA 3.23Å; D1047-H1068 WeakPolarHBondContact OD1-CA 3.29Å; D1047-H1068 IonicContact OD1-CG 2.74Å; D1047-H1068 IonicContact OD1-ND1 3.01Å; D1047-H1068 PolarHBondContact OD1-ND1 3.3Å; D1047-H1068 VanDerWaalsContact OD1-ND1 3.08Å; D1047-H1068 IonicContact OD2-CE1 2.77Å; D1047-H1068 IonicContact OD2-ND1 2.73Å; D1047-H1068 PolarHBondContact OD2-ND1 3.32Å; D1047-H1068 VanDerWaalsContact OD2-ND1 3.09Å; D1047-R1249 IonicContact OD1-CZ 2.63Å; D1047-R1249 IonicContact OD1-NH1 2.93Å; D1047-R1249 PolarHBondContact OD1-NH1 3.2Å; D1047-R1249 WeakPolarHBondContact OD2-CD 3.41Å; D1047-R1249 IonicContact OD2-NH1 3.75Å
1048I96.7Very high90.2Very high2 Ų241.8 Ų41.81%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-115.8112.6172.8-55165.8000108.9A1041 T1066 F1067 V1091 I1102 F1225A1041-I1048 HydrophobicContact CB-CG2 3.94Å; I1048-T1066 WeakPolarHBondContact O-CA 3.38Å; I1048-F1067 HydrophobicContact CB-CB 4.36Å; I1048-F1067 PolarHBondContact N-O 2.85Å; I1048-F1067 PolarHBondContact O-N 3.47Å; I1048-V1091 HydrophobicContact CD1-CG2 4.04Å; I1048-V1091 HydrophobicContact CG1-CG2 4.31Å; I1048-V1091 HydrophobicContact CG2-CG1 4.33Å; I1048-V1091 HydrophobicContact CG2-CG2 4.33Å; I1048-I1102 HydrophobicContact CD1-CD1 4.04Å; I1048-I1102 HydrophobicContact CG2-CD1 4.12Å; I1048-F1225 HydrophobicContact CD1-CE1 3.54Å; I1048-F1225 HydrophobicContact CD1-CZ 3.6Å
1049N96Very high89.4Confident15 Ų1549.6 Ų49.68%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-87.4129.9176.6-75.5-28.7000110.5A1041 Q1042 Y1051 P1063 T1066A1041-N1049 VanDerWaalsContact CA-O 3.24Å; A1041-N1049 WeakPolarHBondContact CA-O 3.38Å; Q1042-N1049 PolarHBondContact N-O 3.48Å; Q1042-N1049 PolarHBondContact O-N 2.99Å; N1049-Y1051 HydrophobicContact CB-CE2 3.9Å; N1049-Y1051 WeakPolarHBondContact CB-OH 3.38Å; N1049-Y1051 WeakPolarHBondContact O-CE2 3.32Å; N1049-P1063 HydrophobicContact CB-CB 4.01Å; N1049-P1063 HydrophobicContact CB-CG 4.49Å; N1049-T1066 WeakPolarHBondContact OD1-CG2 3.25Å; N1049-T1066 PolarHBondContact OD1-OG1 2.79Å
1050V94.9Very high88.8Confident0 Ų056.1 Ų56.10%029%0.293CS..EExtended strand (participates in β ladder)trans-111.9137.3-176.8-172.90000110.2W1039 R1040 P1063 V1064 A1065 F1067 I1102 L1197W1039-V1050 HydrophobicContact CB-CG1 3.25Å; W1039-V1050 HydrophobicContact CD2-CG1 4.46Å; W1039-V1050 HydrophobicContact CG-CG1 3.68Å; R1040-V1050 CarbonylContact O-C 3.58Å; R1040-V1050 WeakPolarHBondContact O-CA 3.39Å; V1050-P1063 CarbonylContact O-C 3.59Å; V1050-P1063 VanDerWaalsContact O-CA 3.32Å; V1050-P1063 WeakPolarHBondContact O-CA 3.45Å; V1050-P1063 WeakPolarHBondContact O-CB 3.32Å; V1050-V1064 WeakPolarHBondContact O-CG2 3.31Å; V1050-V1064 PolarHBondContact O-N 3.48Å; V1050-A1065 HydrophobicContact CB-CB 4.33Å; V1050-A1065 WeakPolarHBondContact CB-O 3.43Å; V1050-A1065 PolarHBondContact N-O 3.14Å; V1050-F1067 HydrophobicContact CG2-CD2 3.7Å; V1050-F1067 HydrophobicContact CG2-CE2 3.74Å; V1050-I1102 HydrophobicContact CG2-CG2 4.05Å; V1050-L1197 HydrophobicContact CG1-CD1 4.48Å; V1050-L1197 HydrophobicContact CG1-CD2 4.09Å
1051Y92.9Very high88.3Confident7 Ų757.2 Ų57.23%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-122.4145.3-176-53.8-86.5000111.2R1040 Q1042 N1049 V1057 T1061 P1063R1040-Y1051 HydrophobicContact CG-CD2 4.09Å; R1040-Y1051 HydrophobicContact CG-CG 4.43Å; R1040-Y1051 PolarHBondContact O-N 3.23Å; Q1042-Y1051 HydrophobicContact CB-CE2 4.31Å; Q1042-Y1051 HydrophobicContact CG-CE2 4.46Å; N1049-Y1051 HydrophobicContact CB-CE2 3.9Å; N1049-Y1051 WeakPolarHBondContact CB-OH 3.38Å; N1049-Y1051 WeakPolarHBondContact O-CE2 3.32Å; Y1051-V1057 HydrophobicContact CD1-CG2 4.48Å; Y1051-V1057 HydrophobicContact CD2-CG1 4.46Å; Y1051-V1057 HydrophobicContact CD2-CG2 3.7Å; Y1051-V1057 HydrophobicContact CE1-CG1 4.08Å; Y1051-V1057 HydrophobicContact CE1-CG2 4.47Å; Y1051-V1057 HydrophobicContact CE2-CB 4.34Å; Y1051-V1057 HydrophobicContact CE2-CG1 3.64Å; Y1051-V1057 HydrophobicContact CE2-CG2 3.69Å; Y1051-V1057 HydrophobicContact CG-CG2 4.1Å; Y1051-V1057 VanDerWaalsContact OH-CG1 3.28Å; Y1051-V1057 WeakPolarHBondContact OH-CG1 3.23Å; Y1051-T1061 HydrophobicContact CD1-CG2 3.74Å; Y1051-T1061 HydrophobicContact CE1-CG2 3.62Å; Y1051-T1061 WeakPolarHBondContact CE1-O 3.44Å; Y1051-P1063 HydrophobicContact CE1-CB 4.13Å
1052K79.8Confident87.9Confident154 Ų15466 Ų6667%0.6734%0.34SS*.SBendtrans-74.6-38.2-175.1-174177.2-179.4-176.80113.1V1064K1052-V1064 HydrophobicContact CB-CG1 3.71Å; K1052-V1064 HydrophobicContact CB-CG2 4.23Å
1053D79.5Confident87.8Confident104 Ų10468.4 Ų68.456%0.55636%0.356SS*.SBendtrans-109.8156.4-177.3-59.7-47.5000110.1V1055D1053-V1055 HydrophobicContact CB-CG1 3.76Å; D1053-V1055 PolarHBondContact O-N 3.19Å
1054D81.6Confident87.8Confident63 Ų6371.8 Ų71.834%0.33738%0.376SS..  trans-8060.6176.1-156.615.9000110.6R956 L960 Y1101R956-D1054 IonicContact CZ-OD2 3.84Å; R956-D1054 IonicContact NE-OD2 2.85Å; R956-D1054 PolarHBondContact NE-OD2 3.19Å; R956-D1054 IonicContact NH2-OD2 2.85Å; R956-D1054 PolarHBondContact NH2-OD2 3.45Å; L960-D1054 HydrophobicContact CD1-CB 3.62Å; D1054-Y1101 PolarHBondContact OD1-OH 3.05Å
1055V79.5Confident87.8Confident63 Ų6367.7 Ų67.738%0.38236%0.358SS..PPolyproline II helixtrans-95.8156.2-176.6-66.80000111.5D1053 V1057D1053-V1055 HydrophobicContact CB-CG1 3.76Å; D1053-V1055 PolarHBondContact O-N 3.19Å; V1055-V1057 PolarHBondContact O-N 2.98Å
1056T80.6Confident88Confident109 Ų10966.4 Ų66.467%0.66934%0.339SS*.PPolyproline II helixtrans-62.6121.5165-51.70000108.8
1057V81.6Confident88Confident12 Ų1266.4 Ų66.47%0.07334%0.339CS..PPolyproline II helixtrans-92.2126.2-176.9178.50000108.9R1040 Q1042 Y1051 V1055 V1094R1040-V1057 HydrophobicContact CG-CG2 4.22Å; Q1042-V1057 HydrophobicContact CG-CB 4.1Å; Q1042-V1057 HydrophobicContact CG-CG1 4.07Å; Q1042-V1057 HydrophobicContact CG-CG2 4.19Å; Y1051-V1057 HydrophobicContact CD1-CG2 4.48Å; Y1051-V1057 HydrophobicContact CD2-CG1 4.46Å; Y1051-V1057 HydrophobicContact CD2-CG2 3.7Å; Y1051-V1057 HydrophobicContact CE1-CG1 4.08Å; Y1051-V1057 HydrophobicContact CE1-CG2 4.47Å; Y1051-V1057 HydrophobicContact CE2-CB 4.34Å; Y1051-V1057 HydrophobicContact CE2-CG1 3.64Å; Y1051-V1057 HydrophobicContact CE2-CG2 3.69Å; Y1051-V1057 HydrophobicContact CG-CG2 4.1Å; Y1051-V1057 VanDerWaalsContact OH-CG1 3.28Å; Y1051-V1057 WeakPolarHBondContact OH-CG1 3.23Å; V1055-V1057 PolarHBondContact O-N 2.98Å; V1057-V1094 HydrophobicContact CG1-CG1 4.29Å; V1057-V1094 HydrophobicContact CG1-CG2 4.29Å
1058H82.4Confident88Confident123 Ų12366.6 Ų66.657%0.56934%0.339SS*.  trans-114.3166.8167.7-59.9-63.8000109D1060 T1061H1058-D1060 PolarHBondContact O-N 3.19Å; H1058-D1060 VanDerWaalsContact O-N 3.12Å; H1058-T1061 PolarHBondContact N-OG1 2.72Å; H1058-T1061 VanDerWaalsContact O-CB 3.24Å; H1058-T1061 WeakPolarHBondContact O-CB 3.45Å; H1058-T1061 PolarHBondContact O-N 2.91Å; H1058-T1061 PolarHBondContact O-OG1 3.34Å; H1058-T1061 VanDerWaalsContact O-OG1 3.13Å
1059R79.6Confident87.9Confident163 Ų16366.6 Ų66.662%0.61534%0.339SS*.THydrogen-bonded Turntrans-56.2-29.9179.2-72.9-174.7175.7-164.1-2.9113.8V1094 D1095R1059-V1094 HydrophobicContact CG-CG1 4.02Å; R1059-D1095 IonicContact CZ-OD1 3.13Å; R1059-D1095 IonicContact CZ-OD2 3.24Å; R1059-D1095 IonicContact NE-OD1 2.75Å; R1059-D1095 PolarHBondContact NE-OD1 2.8Å; R1059-D1095 IonicContact NE-OD2 3.3Å; R1059-D1095 IonicContact NH2-OD1 3.61Å; R1059-D1095 PolarHBondContact NH2-OD1 3.48Å; R1059-D1095 IonicContact NH2-OD2 3.9Å; R1059-D1095 PolarHBondContact NH2-OD2 2.87Å
1060D83.1Confident87.9Confident157 Ų15765.9 Ų65.984%0.8434%0.336SS*.THydrogen-bonded Turntrans-87.3-3.5179.5-56.3-35.7000113.5H1058 K1062H1058-D1060 PolarHBondContact O-N 3.19Å; H1058-D1060 VanDerWaalsContact O-N 3.12Å; D1060-K1062 PolarHBondContact O-N 3.27Å
1061T84.8Confident87.9Confident39 Ų3966.2 Ų66.224%0.23934%0.337CS..PPolyproline II helixtrans-70.2121.3178.5-54.50000109.4Y1051 H1058 P1063Y1051-T1061 HydrophobicContact CD1-CG2 3.74Å; Y1051-T1061 HydrophobicContact CE1-CG2 3.62Å; Y1051-T1061 WeakPolarHBondContact CE1-O 3.44Å; H1058-T1061 PolarHBondContact N-OG1 2.72Å; H1058-T1061 VanDerWaalsContact O-CB 3.24Å; H1058-T1061 WeakPolarHBondContact O-CB 3.45Å; H1058-T1061 PolarHBondContact O-N 2.91Å; H1058-T1061 PolarHBondContact O-OG1 3.34Å; H1058-T1061 VanDerWaalsContact O-OG1 3.13Å; T1061-P1063 WeakPolarHBondContact O-CD 3.2Å
1062K87.4Confident88Confident184 Ų18467.3 Ų67.380%0.834%0.342SS*.PPolyproline II helixtrans-73.6123.6-178.6-69.9-173.3177.3-176.10111.5D1060D1060-K1062 PolarHBondContact O-N 3.27Å
1063P92.4Very high88.6Confident53 Ų5360 Ų6034%0.34431%0.311SS..PPolyproline II helixtrans-71.7153.4172.529.9-33.2000111.2N1049 V1050 Y1051 T1061N1049-P1063 HydrophobicContact CB-CB 4.01Å; N1049-P1063 HydrophobicContact CB-CG 4.49Å; V1050-P1063 CarbonylContact O-C 3.59Å; V1050-P1063 VanDerWaalsContact O-CA 3.32Å; V1050-P1063 WeakPolarHBondContact O-CA 3.45Å; V1050-P1063 WeakPolarHBondContact O-CB 3.32Å; Y1051-P1063 HydrophobicContact CE1-CB 4.13Å; T1061-P1063 WeakPolarHBondContact O-CD 3.2Å
1064V93.4Very high88.9Confident81 Ų8157.1 Ų57.149%0.49130%0.301SS..SBendtrans-89.2-22.3170.8-66.10000113V1050 K1052 L1197V1050-V1064 WeakPolarHBondContact O-CG2 3.31Å; V1050-V1064 PolarHBondContact O-N 3.48Å; K1052-V1064 HydrophobicContact CB-CG1 3.71Å; K1052-V1064 HydrophobicContact CB-CG2 4.23Å; V1064-L1197 HydrophobicContact CG2-CD1 4.13Å
1065A94.1Very high89Confident16 Ų1658.6 Ų58.613%0.13231%0.306CS..EExtended strand (participates in β ladder)trans-153.715417100000108.9V1050 T1193 L1197V1050-A1065 HydrophobicContact CB-CB 4.33Å; V1050-A1065 WeakPolarHBondContact CB-O 3.43Å; V1050-A1065 PolarHBondContact N-O 3.14Å; A1065-T1193 HydrophobicContact CB-CG2 3.9Å; A1065-L1197 HydrophobicContact CB-CB 4.43Å; A1065-L1197 HydrophobicContact CB-CD1 4.01Å; A1065-L1197 HydrophobicContact CB-CD2 4.31Å; A1065-L1197 HydrophobicContact CB-CG 4.48Å
1066T95.8Very high89Confident29 Ų2958 Ų5818%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-128.7128.4173.6-60.30000107.8D1047 I1048 N1049D1047-T1066 HydrophobicContact CB-CG2 3.8Å; I1048-T1066 WeakPolarHBondContact O-CA 3.38Å; N1049-T1066 WeakPolarHBondContact OD1-CG2 3.25Å; N1049-T1066 PolarHBondContact OD1-OG1 2.79Å
1067F96.3Very high88.3Confident4 Ų456.9 Ų56.92%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-96.9129.8169.5-66.7-69000108.6D1047 I1048 V1050 I1102 L1104 E1190 T1193 M1194 L1197 L1223D1047-F1067 WeakPolarHBondContact CA-O 3.47Å; I1048-F1067 HydrophobicContact CB-CB 4.36Å; I1048-F1067 PolarHBondContact N-O 2.85Å; I1048-F1067 PolarHBondContact O-N 3.47Å; V1050-F1067 HydrophobicContact CG2-CD2 3.7Å; V1050-F1067 HydrophobicContact CG2-CE2 3.74Å; F1067-I1102 HydrophobicContact CD2-CD1 4.26Å; F1067-L1104 HydrophobicContact CZ-CD1 4.26Å; F1067-E1190 WeakPolarHBondContact CA-OE2 3.15Å; F1067-E1190 WeakPolarHBondContact CD1-OE2 3.39Å; F1067-T1193 HydrophobicContact CD1-CG2 3.87Å; F1067-T1193 HydrophobicContact CE1-CG2 3.54Å; F1067-T1193 HydrophobicContact CZ-CG2 4.05Å; F1067-M1194 HydrophobicContact CE1-CG 3.64Å; F1067-M1194 HydrophobicContact CZ-CG 4.09Å; F1067-L1197 HydrophobicContact CE2-CD2 4.01Å; F1067-L1197 HydrophobicContact CZ-CD2 3.95Å; F1067-L1223 HydrophobicContact CB-CD1 4.42Å; F1067-L1223 HydrophobicContact CD1-CD1 4.06Å; F1067-L1223 HydrophobicContact CD1-CD2 4.48Å; F1067-L1223 HydrophobicContact CD2-CD1 4.24Å; F1067-L1223 HydrophobicContact CD2-CD2 4.36Å; F1067-L1223 HydrophobicContact CE1-CD1 4.41Å; F1067-L1223 HydrophobicContact CE1-CD2 4.02Å; F1067-L1223 HydrophobicContact CE2-CD2 3.86Å; F1067-L1223 HydrophobicContact CG-CD1 3.99Å; F1067-L1223 HydrophobicContact CZ-CD2 3.69Å
1068H96Very high87.3Confident21 Ų2162.4 Ų62.410%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-99.8127.8-172.6-60-79.1000111.2D1047 Q1185 E1190 Y1246 R1249 K1250D1047-H1068 VanDerWaalsContact CG-ND1 3.28Å; D1047-H1068 VanDerWaalsContact OD1-CA 3.23Å; D1047-H1068 WeakPolarHBondContact OD1-CA 3.29Å; D1047-H1068 IonicContact OD1-CG 2.74Å; D1047-H1068 IonicContact OD1-ND1 3.01Å; D1047-H1068 PolarHBondContact OD1-ND1 3.3Å; D1047-H1068 VanDerWaalsContact OD1-ND1 3.08Å; D1047-H1068 IonicContact OD2-CE1 2.77Å; D1047-H1068 IonicContact OD2-ND1 2.73Å; D1047-H1068 PolarHBondContact OD2-ND1 3.32Å; D1047-H1068 VanDerWaalsContact OD2-ND1 3.09Å; H1068-Q1185 PolarHBondContact O-NE2 2.95Å; H1068-E1190 IonicContact CD2-OE1 2.75Å; H1068-E1190 PolarHBondContact N-OE2 3.26Å; H1068-Y1246 HydrophobicContact CB-CD2 4.4Å; H1068-Y1246 HydrophobicContact CB-CE2 3.51Å; H1068-R1249 PolarHBondContact CE1-O 3.16Å; H1068-K1250 VanDerWaalsContact CD2-CE 3.46Å; H1068-K1250 WeakPolarHBondContact CD2-CE 3.26Å
1069G94Very high86.1Confident1 Ų160.7 Ų60.71%0.0133%0.329CS..PPolyproline II helixtrans-98.9155.1178.300000113.3D1046 R1249D1046-G1069 WeakPolarHBondContact O-CA 3.28Å; D1046-G1069 PolarHBondContact O-N 3.48Å; G1069-R1249 PolarHBondContact O-NH1 2.94Å; G1069-R1249 PolarHBondContact O-NH2 3.43Å; G1069-R1249 VanDerWaalsContact O-NH2 3.1Å
1070L95.8Very high85.2Confident1 Ų154 Ų541%0.00531%0.308CS..  trans-115.2142.5168.7-66.1165.1000109.1P1186 V1235 I1238 Q1242 Y1246 L1261 I1264L1070-P1186 HydrophobicContact CD1-CG 3.77Å; L1070-V1235 HydrophobicContact CB-CG1 3.72Å; L1070-V1235 HydrophobicContact CB-CG2 4.06Å; L1070-I1238 HydrophobicContact CD2-CD1 4.23Å; L1070-Q1242 HydrophobicContact CD2-CG 4.32Å; L1070-Y1246 HydrophobicContact CD2-CD2 3.47Å; L1070-Y1246 VanDerWaalsContact CD2-CD2 3.47Å; L1070-Y1246 HydrophobicContact CD2-CE2 3.85Å; L1070-Y1246 HydrophobicContact CD2-CG 3.88Å; L1070-Y1246 HydrophobicContact CG-CD2 4.11Å; L1070-Y1246 HydrophobicContact CG-CE2 3.96Å; L1070-L1261 HydrophobicContact CD1-CD1 3.82Å; L1070-L1261 HydrophobicContact CD1-CD2 3.98Å; L1070-L1261 HydrophobicContact CD2-CD1 4.12Å; L1070-I1264 HydrophobicContact CD1-CD1 3.85Å
1071R95Very high84.8Confident6 Ų652.5 Ų52.52%0.02331%0.31CS..  trans-110.1142.9-175.1-173.4171.8-66.3-780.6111.4L936 A939 D1046 F1084 C1086 D1089 Q1242L936-R1071 HydrophobicContact CD1-CB 4.5Å; A939-R1071 HydrophobicContact CB-CG 4.44Å; D1046-R1071 IonicContact OD1-CZ 2.87Å; D1046-R1071 IonicContact OD1-NE 2.84Å; D1046-R1071 PolarHBondContact OD1-NE 2.93Å; D1046-R1071 IonicContact OD1-NH2 3.65Å; D1046-R1071 PolarHBondContact OD1-NH2 2.63Å; R1071-F1084 HydrophobicContact CG-CB 4.48Å; R1071-F1084 PolarHBondContact NH1-O 3.04Å; R1071-C1086 HydrophobicContact CB-CB 4.21Å; R1071-C1086 HydrophobicContact CG-CB 4.37Å; R1071-C1086 VanDerWaalsContact CZ-CB 3.5Å; R1071-D1089 IonicContact CZ-OD1 2.55Å; R1071-D1089 IonicContact CZ-OD2 3.8Å; R1071-D1089 IonicContact NH1-OD1 2.59Å; R1071-D1089 PolarHBondContact NH1-OD1 3.47Å; R1071-D1089 IonicContact NH1-OD2 2.64Å; R1071-D1089 PolarHBondContact NH1-OD2 2.88Å; R1071-D1089 IonicContact NH2-OD1 3.52Å; R1071-D1089 PolarHBondContact NH2-OD1 3.32Å; R1071-D1089 IonicContact NH2-OD2 3.23Å; R1071-Q1242 PolarHBondContact O-NE2 3.44Å; R1071-Q1242 PolarHBondContact O-OE1 3.27Å
1072Q95.1Very high84.8Confident31 Ų3156.2 Ų56.215%0.14532%0.324CS..  trans-58.3138171.2-65.4-178.2-42.300111.2F1084 L1085 F1233 A1234Q1072-F1084 HydrophobicContact CB-CB 4.46Å; Q1072-F1084 HydrophobicContact CB-CD1 4.3Å; Q1072-F1084 WeakPolarHBondContact O-CD1 3.49Å; Q1072-L1085 PolarHBondContact N-O 3.29Å; Q1072-L1085 VanDerWaalsContact N-O 3.15Å; Q1072-L1085 VanDerWaalsContact OE1-N 3.07Å; Q1072-F1233 HydrophobicContact CG-CD2 4.13Å; Q1072-F1233 HydrophobicContact CG-CE2 4.42Å; Q1072-A1234 PolarHBondContact NE2-O 2.93Å
1073Q91.8Very high84.9Confident0 Ų049.1 Ų49.10%030%0.297CS..  trans-130.4-10178.7-71.9-172.7-81.400114.8Y933 L934 A939 E1075 T1239 Q1242Y933-Q1073 CarbonylContact C-O 3.56Å; Y933-Q1073 VanDerWaalsContact CA-O 3.3Å; Y933-Q1073 WeakPolarHBondContact CA-O 3.34Å; Y933-Q1073 HydrophobicContact CD1-CB 4.38Å; L934-Q1073 PolarHBondContact N-O 3.27Å; L934-Q1073 PolarHBondContact O-NE2 2.93Å; A939-Q1073 HydrophobicContact CB-CG 4.46Å; Q1073-E1075 PolarHBondContact O-N 3.46Å; Q1073-T1239 PolarHBondContact NE2-OG1 2.94Å; Q1073-T1239 PolarHBondContact OE1-OG1 3.44Å; Q1073-Q1242 VanDerWaalsContact OE1-CB 3.24Å
1074A87.6Confident84.9Confident43 Ų4347 Ų4736%0.35528%0.282SS..BIsolated β-bridgetrans-66.2127177.600000110.1Y933 K1076 F1084Y933-A1074 HydrophobicContact CD1-CB 4.36Å; Y933-A1074 HydrophobicContact CE1-CB 4.25Å; A1074-K1076 PolarHBondContact O-N 2.86Å; A1074-F1084 VanDerWaalsContact O-CE1 3.24Å; A1074-F1084 WeakPolarHBondContact O-CE1 3.43Å
1075E82.1Confident85Confident95 Ų9544.1 Ų44.144%0.44426%0.264SS..PPolyproline II helixtrans-58122.7-179.2-171.7171-149.500109.5R932 L934 Q1073R932-E1075 HydrophobicContact CB-CB 4.14Å; R932-E1075 WeakPolarHBondContact CB-OE2 3.29Å; R932-E1075 VanDerWaalsContact CD-OE2 3.31Å; R932-E1075 WeakPolarHBondContact CD-OE2 3.47Å; R932-E1075 VanDerWaalsContact O-CB 3.25Å; R932-E1075 WeakPolarHBondContact O-CB 3.32Å; R932-E1075 PolarHBondContact O-N 2.83Å; L934-E1075 HydrophobicContact CD2-CG 4.34Å; Q1073-E1075 PolarHBondContact O-N 3.46Å
1076K80.2Confident85.1Confident49 Ų4943.3 Ų43.321%0.21326%0.258CS..PPolyproline II helixtrans-86.6151.5170-58.9-173.6176.5-166.90107.8A1074 S1078 E1082 P1083 F1084A1074-K1076 PolarHBondContact O-N 2.86Å; K1076-S1078 PolarHBondContact O-N 3.24Å; K1076-E1082 HydrophobicContact CD-CB 3.89Å; K1076-E1082 IonicContact NZ-OE2 3.23Å; K1076-E1082 PolarHBondContact NZ-OE2 3.41Å; K1076-P1083 PolarHBondContact NZ-O 3.03Å; K1076-F1084 HydrophobicContact CB-CZ 4.33Å; K1076-F1084 HydrophobicContact CD-CZ 4.46Å; K1076-F1084 HydrophobicContact CG-CE1 4.33Å; K1076-F1084 HydrophobicContact CG-CZ 4.03Å
1077D66Low85Confident86 Ų8642.2 Ų42.246%0.4625%0.251SS..  trans-45.6137.4177.7-82.9-40.6000111.6F298 S1079 S1080F298-D1077 HydrophobicContact CE2-CB 3.78Å; D1077-S1079 PolarHBondContact O-N 3Å; D1077-S1080 WeakPolarHBondContact O-CA 3.28Å; D1077-S1080 WeakPolarHBondContact O-CB 3.46Å; D1077-S1080 PolarHBondContact O-N 3.29Å
1078S60.3Low85Confident129 Ų12942 Ų4290%0.90225%0.25SC*.THydrogen-bonded Turntrans-60.6-17.8-176.959.60000114.2K1076K1076-S1078 PolarHBondContact O-N 3.24Å
1079S58.2Low84.9Confident86 Ų8641.8 Ų41.860%0.60125%0.249SC*.THydrogen-bonded Turntrans-83.6-15.1171.253.10000114.1D1077D1077-S1079 PolarHBondContact O-N 3Å
1080S60.9Low84.9Confident24 Ų2441.9 Ų41.917%0.16825%0.249CC..  trans-75.3121.5178.5-167.70000111F298 D1077 E1082F298-S1080 VanDerWaalsContact CZ-CB 3.43Å; D1077-S1080 WeakPolarHBondContact O-CA 3.28Å; D1077-S1080 WeakPolarHBondContact O-CB 3.46Å; D1077-S1080 PolarHBondContact O-N 3.29Å; S1080-E1082 PolarHBondContact O-N 3.14Å; S1080-E1082 WeakPolarHBondContact OG-CB 3.26Å; S1080-E1082 WeakPolarHBondContact OG-CG 3.4Å; S1080-E1082 PolarHBondContact OG-N 2.91Å
1081S73.5Confident84.9Confident125 Ų12541.9 Ų41.987%0.87425%0.25SC*.  trans-85.69.6169.265.20000112.8
1082E84.3Confident84.8Confident116 Ų11641.6 Ų41.654%0.54225%0.249SC..  trans-69.6137-177.8-71.2-171.1176.800112.2K1076 S1080K1076-E1082 HydrophobicContact CD-CB 3.89Å; K1076-E1082 IonicContact NZ-OE2 3.23Å; K1076-E1082 PolarHBondContact NZ-OE2 3.41Å; S1080-E1082 PolarHBondContact O-N 3.14Å; S1080-E1082 WeakPolarHBondContact OG-CB 3.26Å; S1080-E1082 WeakPolarHBondContact OG-CG 3.4Å; S1080-E1082 PolarHBondContact OG-N 2.91Å
1083P90.4Very high84.7Confident36 Ų3642.2 Ų42.223%0.23426%0.255CS..  trans-73.3158.7178.831-35.7000112.2K942 L944 K1076 L1085K942-P1083 WeakPolarHBondContact O-CA 3.48Å; L944-P1083 HydrophobicContact CB-CB 3.84Å; L944-P1083 HydrophobicContact CB-CG 3.96Å; L944-P1083 HydrophobicContact CD1-CB 4.45Å; L944-P1083 HydrophobicContact CD1-CG 3.91Å; L944-P1083 HydrophobicContact CG-CG 4.48Å; K1076-P1083 PolarHBondContact NZ-O 3.03Å; P1083-L1085 HydrophobicContact CB-CD2 4.42Å; P1083-L1085 HydrophobicContact CG-CD2 3.84Å; P1083-L1085 HydrophobicContact CG-CG 4.46Å
1084F92.8Very high84.7Confident7 Ų743 Ų433%0.03126%0.26CS..  trans-89.6101171.3-71.8-102.8000108.7L934 A939 K942 R1071 Q1072 A1074 K1076L934-F1084 HydrophobicContact CD1-CD1 4.49Å; L934-F1084 HydrophobicContact CD1-CE1 3.66Å; L934-F1084 HydrophobicContact CD1-CE2 3.76Å; L934-F1084 HydrophobicContact CD1-CZ 3.25Å; L934-F1084 HydrophobicContact CG-CE1 4.27Å; L934-F1084 HydrophobicContact CG-CZ 4.17Å; A939-F1084 HydrophobicContact CB-CB 4.39Å; A939-F1084 HydrophobicContact CB-CD1 4.34Å; A939-F1084 HydrophobicContact CB-CG 4.43Å; K942-F1084 HydrophobicContact CB-CD2 3.6Å; K942-F1084 HydrophobicContact CB-CE2 4.09Å; K942-F1084 HydrophobicContact CD-CD2 4.22Å; K942-F1084 HydrophobicContact CD-CE2 3.83Å; K942-F1084 PolarHBondContact O-N 3.34Å; R1071-F1084 HydrophobicContact CG-CB 4.48Å; R1071-F1084 PolarHBondContact NH1-O 3.04Å; Q1072-F1084 HydrophobicContact CB-CB 4.46Å; Q1072-F1084 HydrophobicContact CB-CD1 4.3Å; Q1072-F1084 WeakPolarHBondContact O-CD1 3.49Å; A1074-F1084 VanDerWaalsContact O-CE1 3.24Å; A1074-F1084 WeakPolarHBondContact O-CE1 3.43Å; K1076-F1084 HydrophobicContact CB-CZ 4.33Å; K1076-F1084 HydrophobicContact CD-CZ 4.46Å; K1076-F1084 HydrophobicContact CG-CE1 4.33Å; K1076-F1084 HydrophobicContact CG-CZ 4.03Å
1085L94.8Very high84.7Confident21 Ų2146.2 Ų46.211%0.1127%0.271CS..  trans-77.1144.2-166-63.1171.2000113.2L944 Q1072 P1083 F1090 F1233L944-L1085 HydrophobicContact CB-CD2 3.91Å; L944-L1085 HydrophobicContact CD2-CD2 3.99Å; L944-L1085 HydrophobicContact CG-CD2 4.5Å; Q1072-L1085 PolarHBondContact N-O 3.29Å; Q1072-L1085 VanDerWaalsContact N-O 3.15Å; Q1072-L1085 VanDerWaalsContact OE1-N 3.07Å; P1083-L1085 HydrophobicContact CB-CD2 4.42Å; P1083-L1085 HydrophobicContact CG-CD2 3.84Å; P1083-L1085 HydrophobicContact CG-CG 4.46Å; L1085-F1090 HydrophobicContact CD2-CZ 4.48Å; L1085-F1233 HydrophobicContact CB-CD1 4.01Å; L1085-F1233 HydrophobicContact CB-CD2 3.82Å; L1085-F1233 HydrophobicContact CB-CE1 4.17Å; L1085-F1233 HydrophobicContact CB-CE2 3.98Å; L1085-F1233 HydrophobicContact CB-CG 3.85Å; L1085-F1233 HydrophobicContact CB-CZ 4.17Å; L1085-F1233 HydrophobicContact CD1-CB 3.76Å; L1085-F1233 HydrophobicContact CD1-CD1 4.16Å; L1085-F1233 HydrophobicContact CD1-CG 3.93Å; L1085-F1233 WeakPolarHBondContact O-CE2 3.5Å
1086C95.8Very high85Confident0 Ų042.7 Ų42.70%026%0.257CS..  trans-133.5150.9164.1-177.60000109.3R1071 S1088 D1089R1071-C1086 HydrophobicContact CB-CB 4.21Å; R1071-C1086 HydrophobicContact CG-CB 4.37Å; R1071-C1086 VanDerWaalsContact CZ-CB 3.5Å; C1086-S1088 PolarHBondContact O-N 3.4Å; C1086-S1088 PolarHBondContact SG-OG 2.81Å; C1086-D1089 PolarHBondContact N-OD2 3.02Å; C1086-D1089 VanDerWaalsContact O-CB 3.3Å; C1086-D1089 WeakPolarHBondContact O-CB 3.35Å; C1086-D1089 PolarHBondContact O-N 3.46Å
1087V94.3Very high85.3Confident5 Ų543.3 Ų43.33%0.0328%0.278CS..G310 helixtrans-61.5-27.3178.7-68.50000112.8D1089 F1090 S1184 F1225 F1233V1087-D1089 VanDerWaalsContact C-N 3.25Å; V1087-D1089 PolarHBondContact O-N 2.83Å; V1087-F1090 PolarHBondContact O-N 2.91Å; V1087-S1184 WeakPolarHBondContact CG1-O 3.48Å; V1087-F1225 HydrophobicContact CB-CZ 4.28Å; V1087-F1225 VanDerWaalsContact O-CE1 3.29Å; V1087-F1225 WeakPolarHBondContact O-CE1 3.47Å; V1087-F1233 HydrophobicContact CG1-CE1 3.95Å; V1087-F1233 HydrophobicContact CG1-CZ 3.86Å
1088S95.6Very high86.4Confident0 Ų039.8 Ų39.80%026%0.259CS..G310 helixtrans-68.7-22.8176.863.90000113.3S1043 G1045 D1046 C1086 F1090 V1091S1043-S1088 VanDerWaalsContact CB-O 3.25Å; S1043-S1088 WeakPolarHBondContact CB-O 3.36Å; G1045-S1088 PolarHBondContact O-OG 3.13Å; D1046-S1088 VanDerWaalsContact CA-OG 3.27Å; D1046-S1088 WeakPolarHBondContact CA-OG 3.39Å; D1046-S1088 WeakPolarHBondContact O-CB 3.48Å; D1046-S1088 PolarHBondContact O-OG 3.33Å; C1086-S1088 PolarHBondContact O-N 3.4Å; C1086-S1088 PolarHBondContact SG-OG 2.81Å; S1088-F1090 PolarHBondContact O-N 3.3Å; S1088-F1090 VanDerWaalsContact O-N 3.15Å; S1088-V1091 PolarHBondContact O-N 3.14Å; S1088-V1091 VanDerWaalsContact O-N 3.12Å
1089D94.9Very high87.9Confident16 Ų1636.7 Ų36.79%0.08624%0.236CC..G310 helixtrans-65-20.1-178.4-59.6-19.5000111.6L944 L946 R1071 C1086 V1087 V1091L944-D1089 HydrophobicContact CB-CB 4.15Å; L946-D1089 WeakPolarHBondContact CD1-O 3.44Å; R1071-D1089 IonicContact CZ-OD1 2.55Å; R1071-D1089 IonicContact CZ-OD2 3.8Å; R1071-D1089 IonicContact NH1-OD1 2.59Å; R1071-D1089 PolarHBondContact NH1-OD1 3.47Å; R1071-D1089 IonicContact NH1-OD2 2.64Å; R1071-D1089 PolarHBondContact NH1-OD2 2.88Å; R1071-D1089 IonicContact NH2-OD1 3.52Å; R1071-D1089 PolarHBondContact NH2-OD1 3.32Å; R1071-D1089 IonicContact NH2-OD2 3.23Å; C1086-D1089 PolarHBondContact N-OD2 3.02Å; C1086-D1089 VanDerWaalsContact O-CB 3.3Å; C1086-D1089 WeakPolarHBondContact O-CB 3.35Å; C1086-D1089 PolarHBondContact O-N 3.46Å; V1087-D1089 VanDerWaalsContact C-N 3.25Å; V1087-D1089 PolarHBondContact O-N 2.83Å; D1089-V1091 VanDerWaalsContact C-N 3.35Å
1090F94.6Very high89.6Confident3 Ų332.7 Ų32.71%0.01321%0.208CC..G310 helixtrans-89.98178.6-53.6-46.6000114.4L944 L1085 V1087 S1088 I1176 F1225 H1227 Q1229 A1230 F1233L944-F1090 HydrophobicContact CD2-CD1 4.09Å; L944-F1090 HydrophobicContact CD2-CE1 3.61Å; L1085-F1090 HydrophobicContact CD2-CZ 4.48Å; V1087-F1090 PolarHBondContact O-N 2.91Å; S1088-F1090 PolarHBondContact O-N 3.3Å; S1088-F1090 VanDerWaalsContact O-N 3.15Å; F1090-I1176 HydrophobicContact CD2-CD1 4.31Å; F1090-I1176 HydrophobicContact CE2-CD1 4.25Å; F1090-F1225 HydrophobicContact CB-CD1 3.91Å; F1090-H1227 HydrophobicContact CB-CB 4.42Å; F1090-Q1229 VanDerWaalsContact CE1-O 3.27Å; F1090-Q1229 WeakPolarHBondContact CE1-O 3.15Å; F1090-A1230 HydrophobicContact CB-CB 4.05Å; F1090-A1230 HydrophobicContact CD1-CB 4.04Å; F1090-A1230 HydrophobicContact CD2-CB 3.91Å; F1090-A1230 HydrophobicContact CE1-CB 4.47Å; F1090-A1230 HydrophobicContact CE2-CB 4.34Å; F1090-A1230 HydrophobicContact CG-CB 3.73Å; F1090-F1233 HydrophobicContact CE2-CD1 4.19Å; F1090-F1233 AromaticContact CE2-CE1 3.91Å; F1090-F1233 HydrophobicContact CE2-CE1 3.91Å; F1090-F1233 HydrophobicContact CZ-CD1 4.43Å; F1090-F1233 HydrophobicContact CZ-CE1 4.45Å
1091V94.9Very high91.3Very high2 Ų232.1 Ų32.11%0.01220%0.202CC..SBendtrans-125.2136.2176.5-178.30000109.5W948 A1041 S1043 I1048 S1088 D1089 D1100 F1225W948-V1091 VanDerWaalsContact CZ2-C 3.49Å; A1041-V1091 HydrophobicContact CB-CG1 4.11Å; S1043-V1091 WeakPolarHBondContact CB-O 3.27Å; S1043-V1091 PolarHBondContact OG-O 3.23Å; I1048-V1091 HydrophobicContact CD1-CG2 4.04Å; I1048-V1091 HydrophobicContact CG1-CG2 4.31Å; I1048-V1091 HydrophobicContact CG2-CG1 4.33Å; I1048-V1091 HydrophobicContact CG2-CG2 4.33Å; S1088-V1091 PolarHBondContact O-N 3.14Å; S1088-V1091 VanDerWaalsContact O-N 3.12Å; D1089-V1091 VanDerWaalsContact C-N 3.35Å; V1091-D1100 WeakPolarHBondContact CA-OD2 3.42Å; V1091-D1100 HydrophobicContact CG1-CB 4.25Å; V1091-F1225 HydrophobicContact CG2-CD1 3.8Å; V1091-F1225 HydrophobicContact CG2-CE1 3.64Å
1092A93.8Very high92.4Very high0 Ų026.2 Ų26.20%016%0.161CC..  trans-54.9129.9-176.600000111.8W948 Q1042 S1043 V1098 D1100W948-A1092 HydrophobicContact CD2-CB 3.8Å; W948-A1092 HydrophobicContact CE3-CB 3.52Å; W948-A1092 HydrophobicContact CG-CB 4.46Å; W948-A1092 HydrophobicContact CH2-CB 4.21Å; W948-A1092 HydrophobicContact CZ2-CB 4.44Å; W948-A1092 HydrophobicContact CZ3-CB 3.74Å; Q1042-A1092 CarbonylContact C-O 3.5Å; Q1042-A1092 VanDerWaalsContact CA-O 3.22Å; Q1042-A1092 WeakPolarHBondContact CA-O 3.4Å; Q1042-A1092 VanDerWaalsContact CD-O 3.31Å; Q1042-A1092 PolarHBondContact OE1-O 3.25Å; Q1042-A1092 VanDerWaalsContact OE1-O 3.13Å; S1043-A1092 PolarHBondContact N-O 3.29Å; A1092-V1098 HydrophobicContact CB-CB 4.37Å; A1092-V1098 WeakPolarHBondContact CB-O 3.33Å; A1092-D1100 HydrophobicContact CB-CB 3.56Å; A1092-D1100 PolarHBondContact N-OD2 3.4Å
1093P93.1Very high93Very high43 Ų4320.7 Ų20.728%0.27914%0.135SC..BIsolated β-bridgetrans-73.6148.3-179.728-32000110.8Q1042 S1043 D1095 S1096Q1042-P1093 PolarHBondContact OE1-O 3.39Å; S1043-P1093 WeakPolarHBondContact O-CA 3.26Å; S1043-P1093 WeakPolarHBondContact OG-CA 3.34Å; S1043-P1093 WeakPolarHBondContact OG-CB 3.34Å; P1093-D1095 PolarHBondContact O-N 2.9Å; P1093-S1096 VanDerWaalsContact O-CB 3.32Å; P1093-S1096 WeakPolarHBondContact O-CB 3.38Å; P1093-S1096 PolarHBondContact O-N 3.23Å; P1093-S1096 PolarHBondContact O-OG 2.95Å
1094V90.8Very high93.3Very high16 Ų1619 Ų1910%0.09712%0.124CC..G310 helixtrans-49.7-36.7-179.8175.70000112.1Q1042 S1043 V1057 R1059 S1096Q1042-V1094 HydrophobicContact CB-CG2 3.56Å; Q1042-V1094 HydrophobicContact CG-CG2 4.3Å; S1043-V1094 PolarHBondContact O-N 2.98Å; V1057-V1094 HydrophobicContact CG1-CG1 4.29Å; V1057-V1094 HydrophobicContact CG1-CG2 4.29Å; R1059-V1094 HydrophobicContact CG-CG1 4.02Å; V1094-S1096 VanDerWaalsContact C-N 3.33Å; V1094-S1096 PolarHBondContact O-N 3.44Å
1095D87.9Confident93.5Very high111 Ų11118.8 Ų18.859%0.59412%0.123SC*.G310 helixtrans-75.3-17.5-178-62.7-29.3000114R1059 P1093 G1097R1059-D1095 IonicContact CZ-OD1 3.13Å; R1059-D1095 IonicContact CZ-OD2 3.24Å; R1059-D1095 IonicContact NE-OD1 2.75Å; R1059-D1095 PolarHBondContact NE-OD1 2.8Å; R1059-D1095 IonicContact NE-OD2 3.3Å; R1059-D1095 IonicContact NH2-OD1 3.61Å; R1059-D1095 PolarHBondContact NH2-OD1 3.48Å; R1059-D1095 IonicContact NH2-OD2 3.9Å; R1059-D1095 PolarHBondContact NH2-OD2 2.87Å; P1093-D1095 PolarHBondContact O-N 2.9Å; D1095-G1097 VanDerWaalsContact C-N 3.26Å; D1095-G1097 PolarHBondContact O-N 3.32Å
1096S88.6Confident93.6Very high21 Ų2117.8 Ų17.815%0.14712%0.118CC..G310 helixtrans-68.9-26.2176.368.90000112.6F949 P1093 V1094 V1098F949-S1096 WeakPolarHBondContact CZ-O 3.35Å; P1093-S1096 VanDerWaalsContact O-CB 3.32Å; P1093-S1096 WeakPolarHBondContact O-CB 3.38Å; P1093-S1096 PolarHBondContact O-N 3.23Å; P1093-S1096 PolarHBondContact O-OG 2.95Å; V1094-S1096 VanDerWaalsContact C-N 3.33Å; V1094-S1096 PolarHBondContact O-N 3.44Å; S1096-V1098 PolarHBondContact O-N 3.14Å; S1096-V1098 VanDerWaalsContact O-N 3.15Å; S1096-V1098 PolarHBondContact OG-N 3.34Å; S1096-V1098 VanDerWaalsContact OG-N 3.17Å
1097G85.6Confident93.7Very high63 Ų6317.8 Ų17.865%0.64912%0.118SC*.  trans66.72.2-170.900000114.4D1095D1095-G1097 VanDerWaalsContact C-N 3.26Å; D1095-G1097 PolarHBondContact O-N 3.32Å
1098V90.4Very high93.7Very high12 Ų1217.6 Ų17.67%0.07312%0.117CC..  trans-85.5129.6-177.8176.40000110W948 F949 P954 Q1042 A1092 S1096 D1100W948-V1098 HydrophobicContact CB-CB 4.13Å; W948-V1098 HydrophobicContact CB-CG1 4.4Å; W948-V1098 HydrophobicContact CB-CG2 3.85Å; F949-V1098 HydrophobicContact CD1-CG2 4.31Å; F949-V1098 HydrophobicContact CE1-CG2 4.07Å; F949-V1098 HydrophobicContact CZ-CG2 4.2Å; P954-V1098 HydrophobicContact CG-CG1 4Å; Q1042-V1098 PolarHBondContact NE2-O 3.49Å; A1092-V1098 HydrophobicContact CB-CB 4.37Å; A1092-V1098 WeakPolarHBondContact CB-O 3.33Å; S1096-V1098 PolarHBondContact O-N 3.14Å; S1096-V1098 VanDerWaalsContact O-N 3.15Å; S1096-V1098 PolarHBondContact OG-N 3.34Å; S1096-V1098 VanDerWaalsContact OG-N 3.17Å; V1098-D1100 PolarHBondContact O-N 3.18Å
1099P91Very high93.7Very high64 Ų6417.6 Ų17.642%0.41612%0.117SC..  trans-73.7121.6-179.428.2-34000114.3P954 R1040P954-P1099 WeakPolarHBondContact CB-O 3.49Å; R1040-P1099 VanDerWaalsContact CZ-CA 3.41Å; R1040-P1099 VanDerWaalsContact CZ-CB 3.46Å
1100D94.6Very high93.6Very high2 Ų219 Ų191%0.01112%0.122CC..EExtended strand (participates in β ladder)trans-128.6172.6173.9-153.4-9.6000113.6W948 P954 R1040 A1041 V1091 A1092 V1098W948-D1100 WeakPolarHBondContact CZ3-OD2 3.39Å; P954-D1100 HydrophobicContact CB-CB 4.13Å; P954-D1100 WeakPolarHBondContact CB-OD1 3.29Å; P954-D1100 HydrophobicContact CG-CB 4.29Å; R1040-D1100 WeakPolarHBondContact CD-O 3.36Å; R1040-D1100 PolarHBondContact NH1-O 2.89Å; A1041-D1100 PolarHBondContact N-O 3.45Å; A1041-D1100 VanDerWaalsContact N-O 3.11Å; A1041-D1100 CarbonylContact O-C 3.58Å; A1041-D1100 VanDerWaalsContact O-O 3.07Å; V1091-D1100 WeakPolarHBondContact CA-OD2 3.42Å; V1091-D1100 HydrophobicContact CG1-CB 4.25Å; A1092-D1100 HydrophobicContact CB-CB 3.56Å; A1092-D1100 PolarHBondContact N-OD2 3.4Å; V1098-D1100 PolarHBondContact O-N 3.18Å
1101Y95.6Very high93.4Very high11 Ų1119.6 Ų19.64%0.04313%0.129CC..EExtended strand (participates in β ladder)trans-145.2155.3-169.1-57.8-87.3000111.5R956 P957 L960 W1039 D1054 W1155R956-Y1101 HydrophobicContact CB-CE2 3.79Å; R956-Y1101 HydrophobicContact CG-CE1 4.31Å; R956-Y1101 HydrophobicContact CG-CE2 4.01Å; R956-Y1101 WeakPolarHBondContact CG-OH 3.39Å; P957-Y1101 HydrophobicContact CG-CD1 4.14Å; P957-Y1101 HydrophobicContact CG-CG 3.96Å; L960-Y1101 HydrophobicContact CD1-CE1 4.36Å; L960-Y1101 HydrophobicContact CD2-CD1 3.81Å; L960-Y1101 HydrophobicContact CD2-CE1 3.96Å; W1039-Y1101 VanDerWaalsContact O-CA 3.3Å; W1039-Y1101 WeakPolarHBondContact O-CA 3.35Å; D1054-Y1101 PolarHBondContact OD1-OH 3.05Å; Y1101-W1155 VanDerWaalsContact O-CH2 3.28Å; Y1101-W1155 WeakPolarHBondContact O-CH2 3.39Å; Y1101-W1155 WeakPolarHBondContact O-CZ2 3.34Å
1102I96.6Very high93.2Very high1 Ų120 Ų201%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-127.7143.5171.2-162.7169.3000109.7F1038 W1039 A1041 I1048 V1050 F1067 L1223 Y1224 F1225F1038-I1102 WeakPolarHBondContact CA-O 3.25Å; W1039-I1102 PolarHBondContact N-O 3.04Å; W1039-I1102 PolarHBondContact O-N 3.45Å; A1041-I1102 HydrophobicContact CB-CB 3.8Å; A1041-I1102 HydrophobicContact CB-CG2 3.69Å; I1048-I1102 HydrophobicContact CD1-CD1 4.04Å; I1048-I1102 HydrophobicContact CG2-CD1 4.12Å; V1050-I1102 HydrophobicContact CG2-CG2 4.05Å; F1067-I1102 HydrophobicContact CD2-CD1 4.26Å; I1102-L1223 HydrophobicContact CD1-CB 4.33Å; I1102-L1223 HydrophobicContact CD1-CD1 4.07Å; I1102-L1223 HydrophobicContact CD1-CD2 4.38Å; I1102-L1223 HydrophobicContact CD1-CG 4.49Å; I1102-Y1224 WeakPolarHBondContact CG1-O 3.23Å; I1102-F1225 HydrophobicContact CD1-CE1 4.29Å; I1102-F1225 HydrophobicContact CD1-CE2 4.39Å; I1102-F1225 HydrophobicContact CD1-CZ 3.95Å
1103G96.5Very high92.9Very high0 Ų024.3 Ų24.30%015%0.152CC..EExtended strand (participates in β ladder)trans-105161.4171.500000112.5G1037 L1223 Y1224G1037-G1103 CarbonylContact O-C 3.56Å; G1037-G1103 VanDerWaalsContact O-CA 3.23Å; G1037-G1103 WeakPolarHBondContact O-CA 3.44Å; G1103-L1223 CarbonylContact O-C 3.5Å; G1103-L1223 VanDerWaalsContact O-CA 3.26Å; G1103-L1223 WeakPolarHBondContact O-CA 3.33Å; G1103-Y1224 PolarHBondContact N-O 3.49Å; G1103-Y1224 VanDerWaalsContact N-O 3.08Å; G1103-Y1224 PolarHBondContact O-N 3.46Å
1104L96.5Very high92.7Very high1 Ų129 Ų291%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-140.6142.3173.7177.1162.1000108.6L1035 V1036 G1037 W1039 F1067 M1194 L1197 A1198 V1200 G1222 L1223L1035-L1104 HydrophobicContact CD2-CD2 3.96Å; V1036-L1104 CarbonylContact C-O 3.51Å; V1036-L1104 WeakPolarHBondContact CA-O 3.46Å; G1037-L1104 PolarHBondContact N-O 3.34Å; G1037-L1104 PolarHBondContact O-N 2.92Å; W1039-L1104 HydrophobicContact CH2-CB 4.44Å; W1039-L1104 HydrophobicContact CZ3-CB 3.76Å; F1067-L1104 HydrophobicContact CZ-CD1 4.26Å; L1104-M1194 HydrophobicContact CD1-CB 3.58Å; L1104-M1194 HydrophobicContact CD1-CE 4.38Å; L1104-M1194 HydrophobicContact CD1-CG 3.73Å; L1104-M1194 HydrophobicContact CG-CB 4.35Å; L1104-M1194 HydrophobicContact CG-CE 4Å; L1104-M1194 HydrophobicContact CG-CG 4.36Å; L1104-L1197 HydrophobicContact CD1-CD2 4.45Å; L1104-A1198 HydrophobicContact CD1-CB 4.19Å; L1104-A1198 HydrophobicContact CD2-CB 3.66Å; L1104-V1200 HydrophobicContact CD2-CG2 4.39Å; L1104-G1222 WeakPolarHBondContact CA-O 3.46Å; L1104-L1223 HydrophobicContact CB-CD2 4.18Å; L1104-L1223 HydrophobicContact CD1-CD2 4.35Å; L1104-L1223 HydrophobicContact CG-CD2 4.35Å
1105F97.6Very high92.6Very high2 Ų229.7 Ų29.71%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-135.9156.4169.676-74.6000112.7L1035 V1107 A1143 L1146 R1177 V1220 S1221 G1222 Y1224L1035-F1105 VanDerWaalsContact O-CA 3.24Å; L1035-F1105 WeakPolarHBondContact O-CA 3.2Å; F1105-V1107 HydrophobicContact CD2-CG1 4.37Å; F1105-V1107 HydrophobicContact CD2-CG2 4.39Å; F1105-V1107 HydrophobicContact CE2-CG2 4.37Å; F1105-A1143 HydrophobicContact CE2-CB 3.69Å; F1105-A1143 HydrophobicContact CZ-CB 4.29Å; F1105-L1146 HydrophobicContact CB-CD2 4.06Å; F1105-R1177 HydrophobicContact CE1-CB 4.09Å; F1105-V1220 HydrophobicContact CE2-CB 4.31Å; F1105-V1220 HydrophobicContact CE2-CG1 3.85Å; F1105-V1220 HydrophobicContact CZ-CG1 4Å; F1105-S1221 VanDerWaalsContact O-CA 3.24Å; F1105-S1221 WeakPolarHBondContact O-CA 3.28Å; F1105-S1221 WeakPolarHBondContact O-CB 3.36Å; F1105-G1222 VanDerWaalsContact CD1-O 3.3Å; F1105-G1222 WeakPolarHBondContact CD1-O 3.31Å; F1105-G1222 VanDerWaalsContact CE1-CA 3.46Å; F1105-G1222 VanDerWaalsContact CE1-N 3.31Å; F1105-G1222 PolarHBondContact N-O 3.01Å; F1105-G1222 PolarHBondContact O-N 3Å; F1105-G1222 VanDerWaalsContact O-N 3.07Å; F1105-Y1224 HydrophobicContact CB-CE2 3.66Å; F1105-Y1224 HydrophobicContact CD1-CD1 4.36Å; F1105-Y1224 HydrophobicContact CD1-CD2 4.24Å; F1105-Y1224 AromaticContact CD1-CE1 3.72Å; F1105-Y1224 HydrophobicContact CD1-CE1 3.72Å; F1105-Y1224 AromaticContact CD1-CE2 3.63Å; F1105-Y1224 HydrophobicContact CD1-CE2 3.63Å; F1105-Y1224 AromaticContact CD1-CZ 3.32Å; F1105-Y1224 WeakPolarHBondContact CD1-OH 3.13Å; F1105-Y1224 AromaticContact CE1-CE1 3.95Å; F1105-Y1224 HydrophobicContact CE1-CE1 3.95Å; F1105-Y1224 AromaticContact CE1-CZ 3.97Å; F1105-Y1224 HydrophobicContact CG-CE1 4.46Å; F1105-Y1224 AromaticContact CG-CE2 3.89Å; F1105-Y1224 HydrophobicContact CG-CE2 3.89Å; F1105-Y1224 AromaticContact CG-CZ 3.66Å; F1105-Y1224 WeakPolarHBondContact CG-OH 3.4Å
1106A97.6Very high92.6Very high1 Ų124.4 Ų24.41%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-146.9125.8165.600000108.6G1034 L1035 V1200 I1206 V1220G1034-A1106 CarbonylContact C-O 3.56Å; G1034-A1106 VanDerWaalsContact CA-O 3.24Å; G1034-A1106 WeakPolarHBondContact CA-O 3.26Å; L1035-A1106 PolarHBondContact N-O 2.91Å; L1035-A1106 PolarHBondContact O-N 3.29Å; A1106-V1200 HydrophobicContact CB-CG1 3.51Å; A1106-V1200 HydrophobicContact CB-CG2 4.15Å; A1106-I1206 HydrophobicContact CB-CD1 4.26Å; A1106-V1220 CarbonylContact C-O 3.36Å; A1106-V1220 WeakPolarHBondContact CA-O 3.45Å
1107V97Very high92.4Very high0 Ų028.4 Ų28.40%016%0.162CC..EExtended strand (participates in β ladder)trans-129.2148.9179.8-64.70000109.9R1033 F1105 F1142 A1143 L1146 I1206 S1219 V1220R1033-V1107 CarbonylContact O-C 3.42Å; R1033-V1107 WeakPolarHBondContact O-CA 3.35Å; F1105-V1107 HydrophobicContact CD2-CG1 4.37Å; F1105-V1107 HydrophobicContact CD2-CG2 4.39Å; F1105-V1107 HydrophobicContact CE2-CG2 4.37Å; V1107-F1142 HydrophobicContact CB-CB 4.23Å; V1107-F1142 HydrophobicContact CB-CD1 3.68Å; V1107-F1142 HydrophobicContact CB-CD2 4.48Å; V1107-F1142 HydrophobicContact CB-CE1 4.09Å; V1107-F1142 HydrophobicContact CB-CG 3.88Å; V1107-F1142 HydrophobicContact CG1-CB 4.49Å; V1107-F1142 HydrophobicContact CG1-CD1 3.92Å; V1107-F1142 HydrophobicContact CG1-CD2 3.94Å; V1107-F1142 HydrophobicContact CG1-CE1 4.05Å; V1107-F1142 HydrophobicContact CG1-CE2 4.04Å; V1107-F1142 HydrophobicContact CG1-CG 3.85Å; V1107-F1142 HydrophobicContact CG1-CZ 4.09Å; V1107-F1142 HydrophobicContact CG2-CB 4.2Å; V1107-F1142 HydrophobicContact CG2-CG 4.38Å; V1107-A1143 HydrophobicContact CG2-CB 4.02Å; V1107-L1146 HydrophobicContact CG1-CD2 3.64Å; V1107-I1206 VanDerWaalsContact C-CD1 3.44Å; V1107-S1219 CarbonylContact O-C 3.57Å; V1107-S1219 WeakPolarHBondContact O-CA 3.45Å; V1107-S1219 WeakPolarHBondContact O-CB 3.38Å; V1107-V1220 HydrophobicContact CG2-CB 3.91Å; V1107-V1220 WeakPolarHBondContact CG2-O 3.36Å; V1107-V1220 PolarHBondContact N-O 3.17Å; V1107-V1220 PolarHBondContact O-N 2.92Å
1108G95.6Very high92.5Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-157.1150.718000000113.1R1033 A1218R1033-G1108 PolarHBondContact N-O 2.93Å; R1033-G1108 PolarHBondContact O-N 3.35Å; G1108-A1218 WeakPolarHBondContact CA-O 3.27Å
1109V95.1Very high92.2Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-112.6117.1178-178.50000109.4L1030 A1135 L1138 A1139 P1216 A1218L1030-V1109 HydrophobicContact CB-CG1 4.12Å; L1030-V1109 HydrophobicContact CD1-CG1 4.25Å; L1030-V1109 HydrophobicContact CD2-CG1 4.36Å; L1030-V1109 HydrophobicContact CG-CG1 4.49Å; V1109-A1135 HydrophobicContact CG1-CB 4.29Å; V1109-L1138 HydrophobicContact CG2-CB 3.85Å; V1109-A1139 HydrophobicContact CG2-CB 4.07Å; V1109-P1216 WeakPolarHBondContact O-CG 3.39Å; V1109-A1218 HydrophobicContact CB-CB 4.3Å; V1109-A1218 PolarHBondContact N-O 2.84Å
1110F93.4Very high91.5Very high46 Ų4635.2 Ų35.220%0.20216%0.162CC..EExtended strand (participates in β ladder)trans-98.9151.5-175.8-66.5-102.7000111.1L1030 K1031 R1033 T1204 I1206 P1216L1030-F1110 VanDerWaalsContact CA-O 3.3Å; L1030-F1110 WeakPolarHBondContact CA-O 3.14Å; K1031-F1110 PolarHBondContact N-O 2.93Å; K1031-F1110 PolarHBondContact O-N 3.29Å; R1033-F1110 HydrophobicContact CB-CD2 4.2Å; R1033-F1110 HydrophobicContact CB-CE2 3.81Å; R1033-F1110 HydrophobicContact CG-CD2 4.19Å; R1033-F1110 HydrophobicContact CG-CE2 4.17Å; F1110-T1204 WeakPolarHBondContact CZ-O 3.48Å; F1110-I1206 HydrophobicContact CE2-CG1 4.16Å; F1110-I1206 HydrophobicContact CZ-CG1 3.9Å; F1110-P1216 HydrophobicContact CD1-CG 4.01Å; F1110-P1216 HydrophobicContact CD2-CG 4.24Å; F1110-P1216 VanDerWaalsContact CE1-CD 3.46Å; F1110-P1216 HydrophobicContact CE1-CG 3.99Å; F1110-P1216 HydrophobicContact CE2-CG 4.17Å; F1110-P1216 HydrophobicContact CG-CG 4.15Å; F1110-P1216 HydrophobicContact CZ-CG 4.06Å
1111G90.3Very high90.7Very high15 Ų1539.4 Ų39.416%0.15520%0.198CC..SBendtrans101.1-13.2176.800000115.5E1113 L1115G1111-E1113 PolarHBondContact O-N 3.06Å; G1111-L1115 WeakPolarHBondContact O-CG 3.44Å; G1111-L1115 PolarHBondContact O-N 3.37Å
1112A90.4Very high89.9Confident10 Ų1044.6 Ų44.68%0.08322%0.222CC..Hα-helixtrans-65.6-38.5-176.600000113.6L1030 S1116 V1131 A1135L1030-A1112 HydrophobicContact CD2-CB 4.04Å; A1112-S1116 WeakPolarHBondContact O-CB 3.21Å; A1112-S1116 PolarHBondContact O-N 2.64Å; A1112-V1131 HydrophobicContact CB-CG1 4.03Å; A1112-A1135 HydrophobicContact CB-CB 3.47Å; A1112-A1135 VanDerWaalsContact CB-CB 3.47Å
1113E86.4Confident88.7Confident91 Ų9145.9 Ų45.943%0.42524%0.236SC..Hα-helixtrans-67.1-43.5-178.9-175.355.9-149.800111.8G1111 L1115 S1116 Q1117 K1132G1111-E1113 PolarHBondContact O-N 3.06Å; E1113-L1115 VanDerWaalsContact C-N 3.35Å; E1113-L1115 PolarHBondContact O-N 3.39Å; E1113-S1116 PolarHBondContact O-N 3.26Å; E1113-Q1117 WeakPolarHBondContact O-CG 3.23Å; E1113-Q1117 PolarHBondContact O-N 2.68Å; E1113-Q1117 PolarHBondContact OE1-NE2 3.29Å; E1113-K1132 WeakPolarHBondContact OE2-CE 3.45Å; E1113-K1132 IonicContact OE2-NZ 2.88Å; E1113-K1132 PolarHBondContact OE2-NZ 3.31Å
1114E89.4Confident87.7Confident143 Ų14347.1 Ų47.167%0.66824%0.242SC*.Hα-helixtrans-62.3-42.4178.1-64.9152.7178.600111.4R1118E1114-R1118 PolarHBondContact O-N 3.05Å; E1114-R1118 VanDerWaalsContact O-N 3.16Å
1115L89.1Confident86.8Confident29 Ų2948.9 Ų48.915%0.15225%0.252CS..Hα-helixtrans-65.9-43174.5-73.2173.5000112M1024 L1030 G1111 E1113 R1118 F1119 V1131M1024-L1115 HydrophobicContact CG-CD1 4.31Å; M1024-L1115 HydrophobicContact SD-CD1 4.02Å; L1030-L1115 HydrophobicContact CD2-CD1 3.97Å; L1030-L1115 HydrophobicContact CG-CD1 4.4Å; G1111-L1115 WeakPolarHBondContact O-CG 3.44Å; G1111-L1115 PolarHBondContact O-N 3.37Å; E1113-L1115 VanDerWaalsContact C-N 3.35Å; E1113-L1115 PolarHBondContact O-N 3.39Å; L1115-R1118 WeakPolarHBondContact O-CB 3.3Å; L1115-R1118 PolarHBondContact O-N 3.34Å; L1115-F1119 WeakPolarHBondContact O-CD2 3.5Å; L1115-F1119 PolarHBondContact O-N 2.84Å; L1115-V1131 HydrophobicContact CB-CG1 3.9Å; L1115-V1131 HydrophobicContact CB-CG2 4.44Å; L1115-V1131 HydrophobicContact CD1-CG1 4.08Å
1116S87.6Confident85.9Confident0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-60-48177.6175.40000111.7A1112 E1113 R1118 F1119 Q1120 S1128 K1132A1112-S1116 WeakPolarHBondContact O-CB 3.21Å; A1112-S1116 PolarHBondContact O-N 2.64Å; E1113-S1116 PolarHBondContact O-N 3.26Å; S1116-R1118 VanDerWaalsContact C-N 3.27Å; S1116-R1118 PolarHBondContact O-N 3.45Å; S1116-F1119 PolarHBondContact O-N 2.88Å; S1116-F1119 VanDerWaalsContact O-N 3.15Å; S1116-Q1120 WeakPolarHBondContact O-CG 3.31Å; S1116-Q1120 PolarHBondContact O-N 3Å; S1116-S1128 PolarHBondContact OG-OG 3.1Å; S1116-K1132 VanDerWaalsContact OG-CE 3.25Å; S1116-K1132 WeakPolarHBondContact OG-CE 3.48Å
1117Q84.3Confident85.3Confident105 Ų10551.3 Ų51.349%0.49126%0.264SS..Hα-helixtrans-61-37.7178-71.11759.100111.8E1113 Q1120 A1121E1113-Q1117 WeakPolarHBondContact O-CG 3.23Å; E1113-Q1117 PolarHBondContact O-N 2.68Å; E1113-Q1117 PolarHBondContact OE1-NE2 3.29Å; Q1117-Q1120 PolarHBondContact O-N 3.37Å; Q1117-A1121 WeakPolarHBondContact O-CB 3.3Å; Q1117-A1121 PolarHBondContact O-N 3.44Å
1118R87.6Confident84.8Confident170 Ų17051.4 Ų51.464%0.64226%0.264SS*.Hα-helixtrans-63.3-41174.9-175.2177.7178.8177-1.6112.5E1114 L1115 S1116 Q1122E1114-R1118 PolarHBondContact O-N 3.05Å; E1114-R1118 VanDerWaalsContact O-N 3.16Å; L1115-R1118 WeakPolarHBondContact O-CB 3.3Å; L1115-R1118 PolarHBondContact O-N 3.34Å; S1116-R1118 VanDerWaalsContact C-N 3.27Å; S1116-R1118 PolarHBondContact O-N 3.45Å; R1118-Q1122 WeakPolarHBondContact O-CG 3.36Å; R1118-Q1122 PolarHBondContact O-N 2.96Å
1119F85.1Confident84.3Confident36 Ų3651.6 Ų51.616%0.15827%0.265CS..Hα-helixtrans-68.8-40.8175.6-75.9-58000112.1L1020 L1115 S1116 A1121 Q1122 G1123 D1124 N1127 V1131L1020-F1119 HydrophobicContact CD1-CZ 4.48Å; L1115-F1119 WeakPolarHBondContact O-CD2 3.5Å; L1115-F1119 PolarHBondContact O-N 2.84Å; S1116-F1119 PolarHBondContact O-N 2.88Å; S1116-F1119 VanDerWaalsContact O-N 3.15Å; F1119-A1121 PolarHBondContact O-N 2.78Å; F1119-Q1122 CarbonylContact O-C 3.53Å; F1119-Q1122 WeakPolarHBondContact O-CA 3.19Å; F1119-Q1122 WeakPolarHBondContact O-CB 3.35Å; F1119-Q1122 PolarHBondContact O-N 2.61Å; F1119-G1123 PolarHBondContact O-N 2.99Å; F1119-D1124 HydrophobicContact CB-CB 4.29Å; F1119-D1124 HydrophobicContact CD1-CB 4.18Å; F1119-D1124 PolarHBondContact O-N 3.27Å; F1119-N1127 HydrophobicContact CB-CB 4.37Å; F1119-N1127 HydrophobicContact CD1-CB 3.64Å; F1119-N1127 HydrophobicContact CD2-CB 3.9Å; F1119-N1127 HydrophobicContact CE1-CB 3.78Å; F1119-N1127 HydrophobicContact CE2-CB 4.03Å; F1119-N1127 HydrophobicContact CG-CB 3.71Å; F1119-N1127 HydrophobicContact CZ-CB 3.98Å; F1119-V1131 HydrophobicContact CD2-CG2 3.98Å; F1119-V1131 HydrophobicContact CE2-CG2 3.62Å
1120Q75.8Confident84.1Confident76 Ų7651.7 Ų51.736%0.35527%0.266SS..Hα-helixtrans-60.8-42.7174.9-71.7175.4-8.800112.2S1116 Q1117 Q1122 G1123 S1128S1116-Q1120 WeakPolarHBondContact O-CG 3.31Å; S1116-Q1120 PolarHBondContact O-N 3Å; Q1117-Q1120 PolarHBondContact O-N 3.37Å; Q1120-Q1122 PolarHBondContact O-N 2.72Å; Q1120-G1123 PolarHBondContact O-N 3.45Å; Q1120-S1128 WeakPolarHBondContact CG-OG 3.34Å; Q1120-S1128 PolarHBondContact NE2-OG 3.11Å; Q1120-S1128 VanDerWaalsContact NE2-OG 3.12Å
1121A77.1Confident84Confident91 Ų9149.5 Ų49.575%0.75226%0.256SS*.Hα-helixtrans-62.4-23.6175.700000113.2Q1117 F1119Q1117-A1121 WeakPolarHBondContact O-CB 3.3Å; Q1117-A1121 PolarHBondContact O-N 3.44Å; F1119-A1121 PolarHBondContact O-N 2.78Å
1122Q79.4Confident84Confident119 Ų11949.4 Ų49.456%0.55625%0.251SS*.THydrogen-bonded Turntrans-90.4-1.8174.5-65.9170.31900112.9R1118 F1119 Q1120 D1124R1118-Q1122 WeakPolarHBondContact O-CG 3.36Å; R1118-Q1122 PolarHBondContact O-N 2.96Å; F1119-Q1122 CarbonylContact O-C 3.53Å; F1119-Q1122 WeakPolarHBondContact O-CA 3.19Å; F1119-Q1122 WeakPolarHBondContact O-CB 3.35Å; F1119-Q1122 PolarHBondContact O-N 2.61Å; Q1120-Q1122 PolarHBondContact O-N 2.72Å; Q1122-D1124 VanDerWaalsContact C-N 3.31Å
1123G71.1Confident84Confident28 Ų2849 Ų4929%0.28925%0.248SC..THydrogen-bonded Turntrans72.620.2-173.900000114.2F1119 Q1120 D1125F1119-G1123 PolarHBondContact O-N 2.99Å; Q1120-G1123 PolarHBondContact O-N 3.45Å; G1123-D1125 PolarHBondContact O-N 2.7Å
1124D75.7Confident84.3Confident26 Ų2644.7 Ų44.714%0.13923%0.228CC..  trans-9972.4179.9-164.6-14000111.6F1119 Q1122 Y1126 N1127 S1128F1119-D1124 HydrophobicContact CB-CB 4.29Å; F1119-D1124 HydrophobicContact CD1-CB 4.18Å; F1119-D1124 PolarHBondContact O-N 3.27Å; Q1122-D1124 VanDerWaalsContact C-N 3.31Å; D1124-Y1126 PolarHBondContact O-N 3.23Å; D1124-N1127 PolarHBondContact O-N 3.2Å; D1124-N1127 PolarHBondContact OD1-N 3.25Å; D1124-N1127 VanDerWaalsContact OD1-N 3.1Å; D1124-N1127 PolarHBondContact OD2-ND2 2.66Å; D1124-S1128 PolarHBondContact O-N 3.28Å
1125D76.6Confident84.5Confident38 Ų3837.9 Ų37.920%0.20320%0.196CC..Hα-helixtrans-62.7-28.9-178.6-60.4-53.6000112.1K745 V798 G1123 I1129K745-D1125 IonicContact NZ-OD2 3.05Å; V798-D1125 HydrophobicContact CG2-CB 4.08Å; G1123-D1125 PolarHBondContact O-N 2.7Å; D1125-I1129 WeakPolarHBondContact O-CG1 3.4Å; D1125-I1129 PolarHBondContact O-N 3.05Å; D1125-I1129 VanDerWaalsContact O-N 3.11Å
1126Y80Confident84.7Confident17 Ų1738.3 Ų38.37%0.06720%0.199CC..Hα-helixtrans-64.2-52.4176.4178.7-105.9000111.6W986 D1016 D1124 S1128 I1129 M1130W986-Y1126 AromaticContact CH2-CD2 3.42Å; W986-Y1126 HydrophobicContact CH2-CD2 3.42Å; W986-Y1126 VanDerWaalsContact CH2-CD2 3.42Å; W986-Y1126 AromaticContact CH2-CE2 3.51Å; W986-Y1126 HydrophobicContact CH2-CE2 3.51Å; W986-Y1126 HydrophobicContact CH2-CG 4.32Å; W986-Y1126 HydrophobicContact CZ2-CD2 4.38Å; W986-Y1126 HydrophobicContact CZ2-CE2 4.11Å; W986-Y1126 AromaticContact CZ3-CD2 3.67Å; W986-Y1126 HydrophobicContact CZ3-CD2 3.67Å; W986-Y1126 AromaticContact CZ3-CE2 3.74Å; W986-Y1126 HydrophobicContact CZ3-CE2 3.74Å; D1016-Y1126 HydrophobicContact CB-CE1 4.35Å; D1016-Y1126 PolarHBondContact OD2-OH 2.87Å; D1124-Y1126 PolarHBondContact O-N 3.23Å; Y1126-S1128 VanDerWaalsContact C-N 3.34Å; Y1126-I1129 PolarHBondContact O-N 2.91Å; Y1126-M1130 HydrophobicContact CE1-CE 3.89Å; Y1126-M1130 HydrophobicContact CE2-CE 4.04Å; Y1126-M1130 VanDerWaalsContact CZ-CE 3.47Å; Y1126-M1130 WeakPolarHBondContact O-CB 3.29Å; Y1126-M1130 PolarHBondContact O-N 3.35Å; Y1126-M1130 WeakPolarHBondContact OH-CE 3.43Å
1127N84.5Confident85Confident38 Ų3839.9 Ų39.920%0.20321%0.205CC..Hα-helixtrans-71.4-29.8179.4-77.5-38.1000112.4F1119 D1124 M1130 V1131F1119-N1127 HydrophobicContact CB-CB 4.37Å; F1119-N1127 HydrophobicContact CD1-CB 3.64Å; F1119-N1127 HydrophobicContact CD2-CB 3.9Å; F1119-N1127 HydrophobicContact CE1-CB 3.78Å; F1119-N1127 HydrophobicContact CE2-CB 4.03Å; F1119-N1127 HydrophobicContact CG-CB 3.71Å; F1119-N1127 HydrophobicContact CZ-CB 3.98Å; D1124-N1127 PolarHBondContact O-N 3.2Å; D1124-N1127 PolarHBondContact OD1-N 3.25Å; D1124-N1127 VanDerWaalsContact OD1-N 3.1Å; D1124-N1127 PolarHBondContact OD2-ND2 2.66Å; N1127-M1130 PolarHBondContact O-N 3.45Å; N1127-V1131 WeakPolarHBondContact O-CG2 3.42Å; N1127-V1131 PolarHBondContact O-N 3.01Å
1128S85.7Confident85.5Confident2 Ų234.9 Ų34.91%0.01418%0.181CC..Hα-helixtrans-57.4-49.8170.9168.50000112.1S1116 Q1120 D1124 Y1126S1116-S1128 PolarHBondContact OG-OG 3.1Å; Q1120-S1128 WeakPolarHBondContact CG-OG 3.34Å; Q1120-S1128 PolarHBondContact NE2-OG 3.11Å; Q1120-S1128 VanDerWaalsContact NE2-OG 3.12Å; D1124-S1128 PolarHBondContact O-N 3.28Å; Y1126-S1128 VanDerWaalsContact C-N 3.34Å
1129I86.3Confident85.9Confident4 Ų426.9 Ų26.92%0.02115%0.151CC..Hα-helixtrans-67.4-41.4177.1-65.6167.1000110.8I791 I795 V985 W986 D1125 Y1126 V1131 K1132 A1133I791-I1129 HydrophobicContact CG2-CG2 4.37Å; I795-I1129 HydrophobicContact CG1-CD1 3.99Å; V985-I1129 HydrophobicContact CG1-CG2 4.48Å; W986-I1129 HydrophobicContact CH2-CB 4.1Å; W986-I1129 HydrophobicContact CH2-CG2 3.86Å; W986-I1129 HydrophobicContact CZ2-CB 4.5Å; W986-I1129 HydrophobicContact CZ2-CG2 3.99Å; W986-I1129 HydrophobicContact CZ3-CG2 4.39Å; D1125-I1129 WeakPolarHBondContact O-CG1 3.4Å; D1125-I1129 PolarHBondContact O-N 3.05Å; D1125-I1129 VanDerWaalsContact O-N 3.11Å; Y1126-I1129 PolarHBondContact O-N 2.91Å; I1129-V1131 PolarHBondContact O-N 2.74Å; I1129-K1132 PolarHBondContact O-N 2.9Å; I1129-A1133 WeakPolarHBondContact O-CB 3.37Å; I1129-A1133 PolarHBondContact O-N 3.2Å
1130M89.5Confident86.3Confident1 Ų128.3 Ų28.31%0.00516%0.159CC..Hα-helixtrans-59.1-45.2-179.3-171.967.976.200112.4F982 W986 V1013 D1016 A1017 L1020 Y1126 N1127 K1132 A1133 L1134F982-M1130 HydrophobicContact CE2-SD 3.61Å; F982-M1130 HydrophobicContact CZ-CE 4.29Å; F982-M1130 HydrophobicContact CZ-SD 3.58Å; F982-M1130 VanDerWaalsContact CZ-SD 3.58Å; W986-M1130 HydrophobicContact CH2-CE 4.4Å; W986-M1130 HydrophobicContact CZ2-CB 4.17Å; W986-M1130 HydrophobicContact CZ2-CE 3.63Å; W986-M1130 HydrophobicContact CZ2-SD 3.95Å; V1013-M1130 HydrophobicContact CG1-CE 4.01Å; D1016-M1130 HydrophobicContact CB-CE 4.39Å; A1017-M1130 HydrophobicContact CB-CE 4.28Å; A1017-M1130 HydrophobicContact CB-SD 3.68Å; L1020-M1130 HydrophobicContact CD2-CB 3.96Å; L1020-M1130 HydrophobicContact CD2-CG 3.57Å; Y1126-M1130 HydrophobicContact CE1-CE 3.89Å; Y1126-M1130 HydrophobicContact CE2-CE 4.04Å; Y1126-M1130 VanDerWaalsContact CZ-CE 3.47Å; Y1126-M1130 WeakPolarHBondContact O-CB 3.29Å; Y1126-M1130 PolarHBondContact O-N 3.35Å; Y1126-M1130 WeakPolarHBondContact OH-CE 3.43Å; N1127-M1130 PolarHBondContact O-N 3.45Å; M1130-K1132 PolarHBondContact O-N 3.12Å; M1130-A1133 PolarHBondContact O-N 2.75Å; M1130-L1134 HydrophobicContact CG-CD1 3.9Å; M1130-L1134 HydrophobicContact CG-CG 4.4Å; M1130-L1134 WeakPolarHBondContact O-CB 3.43Å; M1130-L1134 VanDerWaalsContact O-CG 3.3Å; M1130-L1134 WeakPolarHBondContact O-CG 3.46Å; M1130-L1134 PolarHBondContact O-N 3.22Å; M1130-L1134 HydrophobicContact SD-CD1 4.35Å; M1130-L1134 HydrophobicContact SD-CG 4.43Å
1131V92.5Very high87.2Confident0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-61.9-45178.9170.80000111.3L1020 M1024 A1112 L1115 F1119 N1127 I1129 L1134 A1135L1020-V1131 HydrophobicContact CD2-CG2 3.87Å; M1024-V1131 HydrophobicContact SD-CB 4.29Å; M1024-V1131 HydrophobicContact SD-CG1 3.92Å; M1024-V1131 HydrophobicContact SD-CG2 3.77Å; A1112-V1131 HydrophobicContact CB-CG1 4.03Å; L1115-V1131 HydrophobicContact CB-CG1 3.9Å; L1115-V1131 HydrophobicContact CB-CG2 4.44Å; L1115-V1131 HydrophobicContact CD1-CG1 4.08Å; F1119-V1131 HydrophobicContact CD2-CG2 3.98Å; F1119-V1131 HydrophobicContact CE2-CG2 3.62Å; N1127-V1131 WeakPolarHBondContact O-CG2 3.42Å; N1127-V1131 PolarHBondContact O-N 3.01Å; I1129-V1131 PolarHBondContact O-N 2.74Å; V1131-L1134 PolarHBondContact O-N 2.86Å; V1131-A1135 WeakPolarHBondContact O-CB 3.49Å; V1131-A1135 PolarHBondContact O-N 3.29Å
1132K89.3Confident88.1Confident13 Ų1320.4 Ų20.46%0.05711%0.107CC..Hα-helixtrans-62.5-47.4177.9-69.7-174.1168.8-1650111.2D790 I791 E1113 S1116 I1129 M1130 L1134 A1135 D1136D790-K1132 IonicContact OD1-NZ 2.75Å; D790-K1132 PolarHBondContact OD1-NZ 3.32Å; D790-K1132 IonicContact OD2-NZ 2.98Å; D790-K1132 PolarHBondContact OD2-NZ 3.02Å; I791-K1132 HydrophobicContact CD1-CB 3.98Å; I791-K1132 HydrophobicContact CG1-CB 4.04Å; I791-K1132 HydrophobicContact CG1-CD 4.41Å; E1113-K1132 WeakPolarHBondContact OE2-CE 3.45Å; E1113-K1132 IonicContact OE2-NZ 2.88Å; E1113-K1132 PolarHBondContact OE2-NZ 3.31Å; S1116-K1132 VanDerWaalsContact OG-CE 3.25Å; S1116-K1132 WeakPolarHBondContact OG-CE 3.48Å; I1129-K1132 PolarHBondContact O-N 2.9Å; M1130-K1132 PolarHBondContact O-N 3.12Å; K1132-L1134 VanDerWaalsContact C-N 3.35Å; K1132-L1134 PolarHBondContact O-N 3.24Å; K1132-A1135 PolarHBondContact O-N 3.47Å; K1132-D1136 PolarHBondContact O-N 3.39Å
1133A90.6Very high88.9Confident2 Ų214.8 Ų14.82%0.0178%0.08CC..Hα-helixtrans-60.5-41.517800000112.6F982 V985 I1129 M1130 R1137F982-A1133 HydrophobicContact CD2-CB 4.14Å; F982-A1133 HydrophobicContact CE2-CB 4.23Å; V985-A1133 HydrophobicContact CG1-CB 4.3Å; I1129-A1133 WeakPolarHBondContact O-CB 3.37Å; I1129-A1133 PolarHBondContact O-N 3.2Å; M1130-A1133 PolarHBondContact O-N 2.75Å; A1133-R1137 WeakPolarHBondContact O-CG 3.31Å; A1133-R1137 PolarHBondContact O-N 2.92Å; A1133-R1137 VanDerWaalsContact O-N 3.1Å
1134L93.8Very high90Very high1 Ų114 Ų141%0.0057%0.069CC..Hα-helixtrans-68.9-38.7176.9-75173.4000112.5W979 F982 A1017 L1020 L1021 M1024 M1130 V1131 K1132 R1137 L1138W979-L1134 HydrophobicContact CH2-CD2 4.18Å; W979-L1134 HydrophobicContact CZ3-CD2 4.17Å; F982-L1134 HydrophobicContact CE2-CD2 4.27Å; F982-L1134 HydrophobicContact CE2-CG 4.48Å; A1017-L1134 HydrophobicContact CB-CD2 4.19Å; L1020-L1134 HydrophobicContact CB-CD1 4.31Å; L1020-L1134 HydrophobicContact CD2-CD1 4.36Å; L1020-L1134 HydrophobicContact CG-CD1 4.44Å; L1021-L1134 HydrophobicContact CB-CD1 4.13Å; L1021-L1134 HydrophobicContact CB-CD2 4.31Å; L1021-L1134 HydrophobicContact CD1-CD2 4.42Å; L1021-L1134 HydrophobicContact CD2-CD2 4.37Å; M1024-L1134 HydrophobicContact CE-CB 3.87Å; M1024-L1134 HydrophobicContact CE-CD1 3.48Å; M1024-L1134 VanDerWaalsContact CE-CD1 3.48Å; M1024-L1134 HydrophobicContact CE-CG 4.34Å; M1130-L1134 HydrophobicContact CG-CD1 3.9Å; M1130-L1134 HydrophobicContact CG-CG 4.4Å; M1130-L1134 WeakPolarHBondContact O-CB 3.43Å; M1130-L1134 VanDerWaalsContact O-CG 3.3Å; M1130-L1134 WeakPolarHBondContact O-CG 3.46Å; M1130-L1134 PolarHBondContact O-N 3.22Å; M1130-L1134 HydrophobicContact SD-CD1 4.35Å; M1130-L1134 HydrophobicContact SD-CG 4.43Å; V1131-L1134 PolarHBondContact O-N 2.86Å; K1132-L1134 VanDerWaalsContact C-N 3.35Å; K1132-L1134 PolarHBondContact O-N 3.24Å; L1134-R1137 PolarHBondContact O-N 3.19Å; L1134-L1138 WeakPolarHBondContact O-CG 3.44Å; L1134-L1138 PolarHBondContact O-N 3.33Å
1135A93.9Very high90.9Very high0 Ų013.9 Ų13.90%07%0.068CC..Hα-helixtrans-62.7-42.7175.400000111.6V1109 A1112 V1131 K1132 R1137 L1138 A1139 A1218V1109-A1135 HydrophobicContact CG1-CB 4.29Å; A1112-A1135 HydrophobicContact CB-CB 3.47Å; A1112-A1135 VanDerWaalsContact CB-CB 3.47Å; V1131-A1135 WeakPolarHBondContact O-CB 3.49Å; V1131-A1135 PolarHBondContact O-N 3.29Å; K1132-A1135 PolarHBondContact O-N 3.47Å; A1135-R1137 VanDerWaalsContact C-N 3.34Å; A1135-R1137 PolarHBondContact O-N 3.44Å; A1135-L1138 PolarHBondContact O-N 3.45Å; A1135-A1139 PolarHBondContact O-N 3.21Å; A1135-A1218 HydrophobicContact CB-CB 3.82Å
1136D92.6Very high91.8Very high38 Ų3812 Ų1220%0.2036%0.058CC..Hα-helixtrans-61-43.1174-74.1-5.5000111.6I791 K1132 L1138 A1139 E1140 A1218I791-D1136 VanDerWaalsContact CD1-OD2 3.29Å; I791-D1136 WeakPolarHBondContact CD1-OD2 3.33Å; K1132-D1136 PolarHBondContact O-N 3.39Å; D1136-L1138 VanDerWaalsContact C-N 3.32Å; D1136-L1138 PolarHBondContact O-N 3.29Å; D1136-A1139 PolarHBondContact O-N 3.46Å; D1136-E1140 PolarHBondContact O-N 2.94Å; D1136-A1218 WeakPolarHBondContact OD1-CA 3.29Å; D1136-A1218 WeakPolarHBondContact OD1-CB 3.43Å
1137R94.1Very high92.5Very high32 Ų3211.2 Ų11.212%0.1216%0.055CC..Hα-helixtrans-61.1-40.5175.5-71.9-43.885.9-166.6-2.1112.3I977 D978 F982 A1133 L1134 A1135 A1141I977-R1137 HydrophobicContact CG2-CB 3.91Å; I977-R1137 HydrophobicContact CG2-CG 4.19Å; D978-R1137 VanDerWaalsContact O-CD 3.25Å; D978-R1137 WeakPolarHBondContact O-CD 3.48Å; D978-R1137 PolarHBondContact O-NH1 2.88Å; F982-R1137 HydrophobicContact CB-CG 3.92Å; F982-R1137 HydrophobicContact CD2-CG 4.35Å; A1133-R1137 WeakPolarHBondContact O-CG 3.31Å; A1133-R1137 PolarHBondContact O-N 2.92Å; A1133-R1137 VanDerWaalsContact O-N 3.1Å; L1134-R1137 PolarHBondContact O-N 3.19Å; A1135-R1137 VanDerWaalsContact C-N 3.34Å; A1135-R1137 PolarHBondContact O-N 3.44Å; R1137-A1141 VanDerWaalsContact O-CB 3.24Å; R1137-A1141 WeakPolarHBondContact O-CB 3.49Å; R1137-A1141 PolarHBondContact O-N 2.92Å
1138L94.9Very high93Very high0 Ų010.5 Ų10.50%05%0.051CC..Hα-helixtrans-67.8-37.6176.3-76.3172.1000112.1L970 L973 I977 L1021 L1030 V1109 L1134 A1135 D1136 A1141 F1142L970-L1138 HydrophobicContact CD1-CD1 4.44Å; L973-L1138 HydrophobicContact CB-CD2 4.26Å; L973-L1138 HydrophobicContact CD1-CD2 4.47Å; I977-L1138 HydrophobicContact CD1-CD2 4.28Å; L1021-L1138 HydrophobicContact CD1-CD1 3.78Å; L1021-L1138 HydrophobicContact CD1-CD2 4.23Å; L1021-L1138 HydrophobicContact CD1-CG 4.11Å; L1030-L1138 HydrophobicContact CD1-CD1 3.93Å; V1109-L1138 HydrophobicContact CG2-CB 3.85Å; L1134-L1138 WeakPolarHBondContact O-CG 3.44Å; L1134-L1138 PolarHBondContact O-N 3.33Å; A1135-L1138 PolarHBondContact O-N 3.45Å; D1136-L1138 VanDerWaalsContact C-N 3.32Å; D1136-L1138 PolarHBondContact O-N 3.29Å; L1138-A1141 PolarHBondContact O-N 3.36Å; L1138-F1142 WeakPolarHBondContact O-CB 3.5Å; L1138-F1142 PolarHBondContact O-N 3.47Å
1139A95.1Very high93.4Very high2 Ų213 Ų132%0.0176%0.061CC..Hα-helixtrans-65.8-44.217700000111.9V1109 A1135 D1136 F1142 A1143 A1218 V1220V1109-A1139 HydrophobicContact CG2-CB 4.07Å; A1135-A1139 PolarHBondContact O-N 3.21Å; D1136-A1139 PolarHBondContact O-N 3.46Å; A1139-F1142 WeakPolarHBondContact O-CB 3.41Å; A1139-F1142 PolarHBondContact O-N 2.89Å; A1139-A1143 PolarHBondContact O-N 2.95Å; A1139-A1218 HydrophobicContact CB-CB 4.18Å; A1139-A1218 WeakPolarHBondContact CB-O 3.41Å; A1139-V1220 HydrophobicContact CB-CG2 4.31Å
1140E94.3Very high93.9Very high66 Ų6612.9 Ų12.931%0.3086%0.06SC..Hα-helixtrans-64.6-43.1174.3-72.4-67.5175.800112.1D1136 F1142 A1143 E1144 V1220D1136-E1140 PolarHBondContact O-N 2.94Å; E1140-F1142 VanDerWaalsContact C-N 3.26Å; E1140-F1142 PolarHBondContact O-N 2.93Å; E1140-A1143 WeakPolarHBondContact O-CB 3.29Å; E1140-A1143 PolarHBondContact O-N 3.37Å; E1140-A1143 VanDerWaalsContact O-N 3.15Å; E1140-E1144 PolarHBondContact O-N 2.82Å; E1140-V1220 HydrophobicContact CG-CG2 4.37Å
1141A94.6Very high94.2Very high2 Ų212.8 Ų12.82%0.0176%0.06CC..Hα-helixtrans-61.5-36.3174.800000112L973 F976 I977 R1137 L1138 E1144 E1145L973-A1141 HydrophobicContact CB-CB 4.12Å; F976-A1141 HydrophobicContact CB-CB 4.11Å; I977-A1141 HydrophobicContact CG1-CB 3.74Å; R1137-A1141 VanDerWaalsContact O-CB 3.24Å; R1137-A1141 WeakPolarHBondContact O-CB 3.49Å; R1137-A1141 PolarHBondContact O-N 2.92Å; L1138-A1141 PolarHBondContact O-N 3.36Å; A1141-E1144 PolarHBondContact O-N 2.85Å; A1141-E1145 VanDerWaalsContact O-CB 3.32Å; A1141-E1145 WeakPolarHBondContact O-CB 3.46Å; A1141-E1145 PolarHBondContact O-N 3.25Å
1142F95.9Very high94.3Very high0 Ų016.4 Ų16.40%08%0.075CC..Hα-helixtrans-65.5-41.7174.1-161.6176.5000111.6F965 Y968 L973 R1033 V1107 L1138 A1139 E1140 E1144 L1146F965-F1142 HydrophobicContact CB-CZ 4.49Å; Y968-F1142 AromaticContact CD1-CD2 3.93Å; Y968-F1142 HydrophobicContact CD1-CD2 3.93Å; Y968-F1142 HydrophobicContact CD1-CE1 4.41Å; Y968-F1142 AromaticContact CD1-CE2 3.56Å; Y968-F1142 HydrophobicContact CD1-CE2 3.56Å; Y968-F1142 AromaticContact CD1-CZ 3.84Å; Y968-F1142 HydrophobicContact CD1-CZ 3.84Å; Y968-F1142 AromaticContact CD2-CE2 3.63Å; Y968-F1142 HydrophobicContact CD2-CE2 3.63Å; Y968-F1142 AromaticContact CD2-CZ 3.57Å; Y968-F1142 HydrophobicContact CD2-CZ 3.57Å; Y968-F1142 AromaticContact CE1-CD2 3.99Å; Y968-F1142 HydrophobicContact CE1-CD2 3.99Å; Y968-F1142 AromaticContact CE1-CE2 3.71Å; Y968-F1142 HydrophobicContact CE1-CE2 3.71Å; Y968-F1142 HydrophobicContact CE1-CZ 4.42Å; Y968-F1142 AromaticContact CE2-CE2 3.78Å; Y968-F1142 HydrophobicContact CE2-CE2 3.78Å; Y968-F1142 HydrophobicContact CE2-CZ 4.18Å; Y968-F1142 HydrophobicContact CG-CD2 4.31Å; Y968-F1142 HydrophobicContact CG-CE1 4.05Å; Y968-F1142 AromaticContact CG-CE2 3.51Å; Y968-F1142 HydrophobicContact CG-CE2 3.51Å; Y968-F1142 AromaticContact CG-CZ 3.36Å; Y968-F1142 HydrophobicContact CG-CZ 3.36Å; Y968-F1142 AromaticContact CZ-CE2 3.82Å; L973-F1142 HydrophobicContact CD1-CB 3.77Å; L973-F1142 HydrophobicContact CD1-CD1 4.41Å; L973-F1142 HydrophobicContact CD1-CG 4.04Å; L973-F1142 HydrophobicContact CD2-CB 4.12Å; L973-F1142 HydrophobicContact CD2-CD2 4.07Å; L973-F1142 HydrophobicContact CD2-CG 4.25Å; R1033-F1142 WeakPolarHBondContact O-CE1 3.22Å; V1107-F1142 HydrophobicContact CB-CB 4.23Å; V1107-F1142 HydrophobicContact CB-CD1 3.68Å; V1107-F1142 HydrophobicContact CB-CD2 4.48Å; V1107-F1142 HydrophobicContact CB-CE1 4.09Å; V1107-F1142 HydrophobicContact CB-CG 3.88Å; V1107-F1142 HydrophobicContact CG1-CB 4.49Å; V1107-F1142 HydrophobicContact CG1-CD1 3.92Å; V1107-F1142 HydrophobicContact CG1-CD2 3.94Å; V1107-F1142 HydrophobicContact CG1-CE1 4.05Å; V1107-F1142 HydrophobicContact CG1-CE2 4.04Å; V1107-F1142 HydrophobicContact CG1-CG 3.85Å; V1107-F1142 HydrophobicContact CG1-CZ 4.09Å; V1107-F1142 HydrophobicContact CG2-CB 4.2Å; V1107-F1142 HydrophobicContact CG2-CG 4.38Å; L1138-F1142 WeakPolarHBondContact O-CB 3.5Å; L1138-F1142 PolarHBondContact O-N 3.47Å; A1139-F1142 WeakPolarHBondContact O-CB 3.41Å; A1139-F1142 PolarHBondContact O-N 2.89Å; E1140-F1142 VanDerWaalsContact C-N 3.26Å; E1140-F1142 PolarHBondContact O-N 2.93Å; F1142-E1144 VanDerWaalsContact C-N 3.34Å; F1142-E1144 PolarHBondContact O-N 3.26Å; F1142-L1146 HydrophobicContact CD2-CB 4.37Å; F1142-L1146 WeakPolarHBondContact O-CB 3.37Å; F1142-L1146 PolarHBondContact O-N 2.91Å
1143A95.4Very high94.5Very high0 Ų020.2 Ų20.20%09%0.093CC..Hα-helixtrans-62.1-41.3176.100000112.2F1105 V1107 A1139 E1140 H1147 V1220F1105-A1143 HydrophobicContact CE2-CB 3.69Å; F1105-A1143 HydrophobicContact CZ-CB 4.29Å; V1107-A1143 HydrophobicContact CG2-CB 4.02Å; A1139-A1143 PolarHBondContact O-N 2.95Å; E1140-A1143 WeakPolarHBondContact O-CB 3.29Å; E1140-A1143 PolarHBondContact O-N 3.37Å; E1140-A1143 VanDerWaalsContact O-N 3.15Å; A1143-H1147 VanDerWaalsContact O-CB 3.3Å; A1143-H1147 WeakPolarHBondContact O-CB 3.38Å; A1143-H1147 PolarHBondContact O-N 3.02Å; A1143-V1220 HydrophobicContact CB-CB 3.98Å; A1143-V1220 HydrophobicContact CB-CG1 3.79Å; A1143-V1220 HydrophobicContact CB-CG2 4.38Å
1144E94.4Very high94.7Very high13 Ų1320.3 Ų20.36%0.0619%0.094CC..Hα-helixtrans-68.9-48.9178.7-163.669.2-116.200112.1F976 E1140 A1141 F1142 L1146 H1147 V1148 L1168 Y1173 R1177F976-E1144 HydrophobicContact CD1-CG 4.45Å; E1140-E1144 PolarHBondContact O-N 2.82Å; A1141-E1144 PolarHBondContact O-N 2.85Å; F1142-E1144 VanDerWaalsContact C-N 3.34Å; F1142-E1144 PolarHBondContact O-N 3.26Å; E1144-L1146 PolarHBondContact O-N 3.31Å; E1144-H1147 WeakPolarHBondContact O-CB 3.39Å; E1144-H1147 PolarHBondContact O-N 3.09Å; E1144-H1147 VanDerWaalsContact O-N 3.16Å; E1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; E1144-V1148 PolarHBondContact O-N 3.4Å; E1144-L1168 HydrophobicContact CG-CB 4.13Å; E1144-L1168 HydrophobicContact CG-CD1 4.16Å; E1144-Y1173 WeakPolarHBondContact OE1-CE1 3.1Å; E1144-R1177 IonicContact OE1-CZ 2.88Å; E1144-R1177 IonicContact OE1-NH1 3.07Å; E1144-R1177 PolarHBondContact OE1-NH1 2.97Å; E1144-R1177 IonicContact OE1-NH2 2.78Å; E1144-R1177 IonicContact OE2-CZ 2.72Å; E1144-R1177 VanDerWaalsContact OE2-CZ 3.3Å; E1144-R1177 IonicContact OE2-NH1 3.3Å; E1144-R1177 PolarHBondContact OE2-NH1 3.04Å; E1144-R1177 IonicContact OE2-NH2 3.91Å; E1144-R1177 PolarHBondContact OE2-NH2 2.88Å
1145E94.6Very high94.8Very high22 Ų2220.4 Ų20.410%0.1039%0.094CC..Hα-helixtrans-64.5-42.4-179.7-168.6-79.6161.900111.4Y968 L973 F976 A1141 H1147 V1148 R1149Y968-E1145 WeakPolarHBondContact CE1-OE2 3.38Å; Y968-E1145 VanDerWaalsContact CZ-OE2 3.24Å; Y968-E1145 PolarHBondContact OH-OE1 2.63Å; Y968-E1145 PolarHBondContact OH-OE2 2.77Å; L973-E1145 HydrophobicContact CD2-CB 3.95Å; L973-E1145 HydrophobicContact CD2-CG 4.25Å; F976-E1145 HydrophobicContact CB-CB 4.45Å; F976-E1145 HydrophobicContact CD1-CB 4.22Å; F976-E1145 HydrophobicContact CD2-CB 3.7Å; F976-E1145 HydrophobicContact CD2-CG 3.59Å; F976-E1145 HydrophobicContact CE1-CB 4.43Å; F976-E1145 HydrophobicContact CE1-CG 4.36Å; F976-E1145 HydrophobicContact CE2-CB 3.93Å; F976-E1145 HydrophobicContact CE2-CG 3.33Å; F976-E1145 HydrophobicContact CG-CB 3.85Å; F976-E1145 HydrophobicContact CG-CG 4.22Å; F976-E1145 HydrophobicContact CZ-CB 4.29Å; F976-E1145 HydrophobicContact CZ-CG 3.76Å; A1141-E1145 VanDerWaalsContact O-CB 3.32Å; A1141-E1145 WeakPolarHBondContact O-CB 3.46Å; A1141-E1145 PolarHBondContact O-N 3.25Å; E1145-H1147 VanDerWaalsContact C-N 3.28Å; E1145-H1147 PolarHBondContact O-N 3.49Å; E1145-V1148 WeakPolarHBondContact O-CB 3.27Å; E1145-V1148 PolarHBondContact O-N 2.95Å; E1145-R1149 PolarHBondContact O-N 3.03Å; E1145-R1149 WeakPolarHBondContact OE1-CD 3.29Å
1146L95.4Very high94.8Very high0 Ų021.4 Ų21.40%010%0.104CC..Hα-helixtrans-62.4-38.8174.4-17859.1000110.9F965 V1036 F1105 V1107 F1142 E1144 R1149 V1150 L1154F965-L1146 HydrophobicContact CE2-CD1 3.79Å; F965-L1146 HydrophobicContact CZ-CD1 4.28Å; V1036-L1146 HydrophobicContact CB-CD1 4.33Å; V1036-L1146 HydrophobicContact CB-CD2 4.31Å; V1036-L1146 HydrophobicContact CG1-CD1 4.37Å; F1105-L1146 HydrophobicContact CB-CD2 4.06Å; V1107-L1146 HydrophobicContact CG1-CD2 3.64Å; F1142-L1146 HydrophobicContact CD2-CB 4.37Å; F1142-L1146 WeakPolarHBondContact O-CB 3.37Å; F1142-L1146 PolarHBondContact O-N 2.91Å; E1144-L1146 PolarHBondContact O-N 3.31Å; L1146-R1149 PolarHBondContact O-N 3.22Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.44Å; L1146-V1150 PolarHBondContact O-N 2.93Å; L1146-L1154 HydrophobicContact CD1-CD1 4.3Å
1147H95.5Very high94.8Very high0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-64.5-40.8175.9-170.2-155.2000111.9A1143 E1144 E1145 R1149 V1150 R1151 Y1173 R1177 Y1224A1143-H1147 VanDerWaalsContact O-CB 3.3Å; A1143-H1147 WeakPolarHBondContact O-CB 3.38Å; A1143-H1147 PolarHBondContact O-N 3.02Å; E1144-H1147 WeakPolarHBondContact O-CB 3.39Å; E1144-H1147 PolarHBondContact O-N 3.09Å; E1144-H1147 VanDerWaalsContact O-N 3.16Å; E1145-H1147 VanDerWaalsContact C-N 3.28Å; E1145-H1147 PolarHBondContact O-N 3.49Å; H1147-R1149 VanDerWaalsContact C-N 3.32Å; H1147-R1149 PolarHBondContact O-N 3.33Å; H1147-V1150 WeakPolarHBondContact O-CB 3.32Å; H1147-V1150 PolarHBondContact O-N 3.42Å; H1147-V1150 VanDerWaalsContact O-N 3.11Å; H1147-R1151 PolarHBondContact CE1-NH1 2.81Å; H1147-R1151 PolarHBondContact ND1-NH1 3.28Å; H1147-R1151 WeakPolarHBondContact O-CG 3.21Å; H1147-R1151 PolarHBondContact O-N 2.95Å; H1147-Y1173 AromaticContact CE1-CD2 3.88Å; H1147-Y1173 AromaticContact CE1-CE2 3.44Å; H1147-Y1173 VanDerWaalsContact CE1-CE2 3.44Å; H1147-Y1173 WeakPolarHBondContact CE1-CE2 3.44Å; H1147-Y1173 AromaticContact CE1-CZ 3.99Å; H1147-Y1173 AromaticContact ND1-CE2 3.84Å; H1147-Y1173 AromaticContact ND1-CZ 3.91Å; H1147-R1177 PolarHBondContact ND1-NH1 2.73Å; H1147-Y1224 HydrophobicContact CB-CE1 3.81Å; H1147-Y1224 AromaticContact CD2-CD1 3.42Å; H1147-Y1224 VanDerWaalsContact CD2-CD1 3.42Å; H1147-Y1224 WeakPolarHBondContact CD2-CD1 3.02Å; H1147-Y1224 AromaticContact CD2-CE1 3.17Å; H1147-Y1224 WeakPolarHBondContact CD2-CE1 3.33Å; H1147-Y1224 AromaticContact CG-CE1 3.51Å; H1147-Y1224 AromaticContact NE2-CD1 3.68Å; H1147-Y1224 AromaticContact NE2-CE1 3.86Å
1148V94.5Very high94.7Very high22 Ų2220.3 Ų20.313%0.13310%0.101CC..Hα-helixtrans-57.4-47.5172.9172.80000110.6F976 E1144 E1145 V1150 R1151 K1152 L1168F976-V1148 HydrophobicContact CE1-CG2 4.04Å; E1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; E1144-V1148 PolarHBondContact O-N 3.4Å; E1145-V1148 WeakPolarHBondContact O-CB 3.27Å; E1145-V1148 PolarHBondContact O-N 2.95Å; V1148-V1150 VanDerWaalsContact C-N 3.28Å; V1148-V1150 PolarHBondContact O-N 3.43Å; V1148-R1151 PolarHBondContact O-N 3.3Å; V1148-K1152 HydrophobicContact CG1-CD 3.89Å; V1148-K1152 HydrophobicContact CG1-CG 4.49Å; V1148-K1152 WeakPolarHBondContact O-CB 3.36Å; V1148-K1152 WeakPolarHBondContact O-CG 3.18Å; V1148-K1152 PolarHBondContact O-N 3.2Å; V1148-L1168 HydrophobicContact CG2-CD1 3.43Å; V1148-L1168 VanDerWaalsContact CG2-CD1 3.43Å; V1148-L1168 HydrophobicContact CG2-CD2 3.92Å; V1148-L1168 HydrophobicContact CG2-CG 4.34Å
1149R94.6Very high94.4Very high56 Ų5623.6 Ų23.621%0.21113%0.125CC..Hα-helixtrans-62.8-35.6176-68.6-173.565-169.12.5112.2Y968 E1145 L1146 H1147 E1153 L1154Y968-R1149 WeakPolarHBondContact OH-CD 3.26Å; Y968-R1149 PolarHBondContact OH-NH1 3.49Å; E1145-R1149 PolarHBondContact O-N 3.03Å; E1145-R1149 WeakPolarHBondContact OE1-CD 3.29Å; L1146-R1149 PolarHBondContact O-N 3.22Å; H1147-R1149 VanDerWaalsContact C-N 3.32Å; H1147-R1149 PolarHBondContact O-N 3.33Å; R1149-E1153 IonicContact CZ-OE2 2.71Å; R1149-E1153 IonicContact NE-OE2 3.43Å; R1149-E1153 PolarHBondContact NE-OE2 3.3Å; R1149-E1153 IonicContact NH2-OE2 3.18Å; R1149-E1153 CarbonylContact O-C 3.6Å; R1149-E1153 WeakPolarHBondContact O-CA 3.37Å; R1149-E1153 WeakPolarHBondContact O-CB 3.33Å; R1149-E1153 PolarHBondContact O-N 2.82Å; R1149-L1154 HydrophobicContact CB-CD1 4.49Å; R1149-L1154 PolarHBondContact O-N 3Å
1150V96.1Very high94.1Very high0 Ų030.5 Ų30.50%016%0.161CC..Iπ-helixtrans-61.1-50.5173.7168.50000111V1036 F1038 L1146 H1147 V1148 K1152 L1154 W1155 G1156 Y1224V1036-V1150 HydrophobicContact CG2-CG2 3.78Å; F1038-V1150 HydrophobicContact CE1-CG1 3.76Å; F1038-V1150 HydrophobicContact CE1-CG2 4.46Å; F1038-V1150 HydrophobicContact CZ-CB 4.45Å; F1038-V1150 HydrophobicContact CZ-CG1 3.87Å; F1038-V1150 HydrophobicContact CZ-CG2 4.02Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.44Å; L1146-V1150 PolarHBondContact O-N 2.93Å; H1147-V1150 WeakPolarHBondContact O-CB 3.32Å; H1147-V1150 PolarHBondContact O-N 3.42Å; H1147-V1150 VanDerWaalsContact O-N 3.11Å; V1148-V1150 VanDerWaalsContact C-N 3.28Å; V1148-V1150 PolarHBondContact O-N 3.43Å; V1150-K1152 PolarHBondContact O-N 2.87Å; V1150-L1154 HydrophobicContact CG2-CD1 4.18Å; V1150-W1155 HydrophobicContact CG1-CB 3.91Å; V1150-W1155 HydrophobicContact CG1-CE3 4.1Å; V1150-W1155 WeakPolarHBondContact O-CA 3.21Å; V1150-W1155 VanDerWaalsContact O-CB 3.23Å; V1150-W1155 WeakPolarHBondContact O-CB 3.3Å; V1150-W1155 PolarHBondContact O-N 3.48Å; V1150-G1156 PolarHBondContact O-N 3.36Å; V1150-G1156 VanDerWaalsContact O-N 3.1Å; V1150-Y1224 HydrophobicContact CB-CE2 4.35Å; V1150-Y1224 HydrophobicContact CG1-CD2 4.07Å; V1150-Y1224 HydrophobicContact CG1-CE2 4.27Å; V1150-Y1224 HydrophobicContact CG1-CG 4.32Å; V1150-Y1224 HydrophobicContact CG2-CD2 4.22Å; V1150-Y1224 HydrophobicContact CG2-CE2 3.65Å
1151R95.3Very high93.8Very high0 Ų028.1 Ų28.10%015%0.15CC..Iπ-helixtrans-63.5-42.2-178.4-63.8-162.3-58.9-83.3-2.9112.9H1147 V1148 G1156 Y1157 S1158 E1161 Y1173 Q1174H1147-R1151 PolarHBondContact CE1-NH1 2.81Å; H1147-R1151 PolarHBondContact ND1-NH1 3.28Å; H1147-R1151 WeakPolarHBondContact O-CG 3.21Å; H1147-R1151 PolarHBondContact O-N 2.95Å; V1148-R1151 PolarHBondContact O-N 3.3Å; R1151-G1156 CarbonylContact O-C 3.51Å; R1151-G1156 WeakPolarHBondContact O-CA 3.22Å; R1151-G1156 PolarHBondContact O-N 3.28Å; R1151-Y1157 HydrophobicContact CB-CE2 4.08Å; R1151-Y1157 HydrophobicContact CG-CE1 4.47Å; R1151-Y1157 HydrophobicContact CG-CE2 3.66Å; R1151-Y1157 WeakPolarHBondContact CG-OH 3.49Å; R1151-Y1157 PolarHBondContact O-N 3.32Å; R1151-Y1157 VanDerWaalsContact O-N 3.16Å; R1151-S1158 CarbonylContact O-C 3.57Å; R1151-S1158 PolarHBondContact O-N 3.3Å; R1151-E1161 IonicContact CZ-OE1 3.78Å; R1151-E1161 IonicContact CZ-OE2 2.62Å; R1151-E1161 IonicContact NE-OE1 3.12Å; R1151-E1161 PolarHBondContact NE-OE1 2.96Å; R1151-E1161 IonicContact NE-OE2 2.66Å; R1151-E1161 PolarHBondContact NE-OE2 2.87Å; R1151-E1161 IonicContact NH2-OE1 3.96Å; R1151-E1161 PolarHBondContact NH2-OE1 3.35Å; R1151-E1161 IonicContact NH2-OE2 3.29Å; R1151-E1161 PolarHBondContact NH2-OE2 3.18Å; R1151-Y1173 VanDerWaalsContact CZ-CG 3.42Å; R1151-Y1173 VanDerWaalsContact NE-CB 3.34Å; R1151-Q1174 WeakPolarHBondContact CD-O 3.17Å
1152K94.7Very high93.4Very high75 Ų7534 Ų3433%0.32619%0.186SC..Iπ-helixtrans-88.6-43.9-173.1-64.8-17563.1159.90114.2V1148 V1150 E1161V1148-K1152 HydrophobicContact CG1-CD 3.89Å; V1148-K1152 HydrophobicContact CG1-CG 4.49Å; V1148-K1152 WeakPolarHBondContact O-CB 3.36Å; V1148-K1152 WeakPolarHBondContact O-CG 3.18Å; V1148-K1152 PolarHBondContact O-N 3.2Å; V1150-K1152 PolarHBondContact O-N 2.87Å; K1152-E1161 HydrophobicContact CD-CB 4.22Å; K1152-E1161 VanDerWaalsContact CE-O 3.3Å; K1152-E1161 WeakPolarHBondContact CE-O 3.47Å; K1152-E1161 HydrophobicContact CG-CB 4.06Å; K1152-E1161 PolarHBondContact NZ-O 2.93Å
1153E94.3Very high93Very high94 Ų9436.7 Ų36.744%0.43920%0.2SC..Iπ-helixtrans-114.1-55.1-167.2-58.1174.718000112.2Q958 R1149Q958-E1153 WeakPolarHBondContact CG-O 3.25Å; Q958-E1153 PolarHBondContact NE2-O 3.38Å; Q958-E1153 PolarHBondContact OE1-O 3.04Å; R1149-E1153 IonicContact CZ-OE2 2.71Å; R1149-E1153 IonicContact NE-OE2 3.43Å; R1149-E1153 PolarHBondContact NE-OE2 3.3Å; R1149-E1153 IonicContact NH2-OE2 3.18Å; R1149-E1153 CarbonylContact O-C 3.6Å; R1149-E1153 WeakPolarHBondContact O-CA 3.37Å; R1149-E1153 WeakPolarHBondContact O-CB 3.33Å; R1149-E1153 PolarHBondContact O-N 2.82Å
1154L95.8Very high92.5Very high4 Ų442.8 Ų42.82%0.02123%0.228CC..Iπ-helixtrans-82.4-44-164.3-52178.2000113.1Q958 F959 V1036 F1038 L1146 R1149 V1150Q958-L1154 WeakPolarHBondContact CB-O 3.14Å; Q958-L1154 PolarHBondContact N-O 3.36Å; F959-L1154 HydrophobicContact CE1-CB 4.17Å; F959-L1154 HydrophobicContact CE1-CD2 4.33Å; V1036-L1154 HydrophobicContact CG1-CD1 3.81Å; F1038-L1154 HydrophobicContact CE2-CB 3.81Å; F1038-L1154 HydrophobicContact CZ-CB 3.88Å; L1146-L1154 HydrophobicContact CD1-CD1 4.3Å; R1149-L1154 HydrophobicContact CB-CD1 4.49Å; R1149-L1154 PolarHBondContact O-N 3Å; V1150-L1154 HydrophobicContact CG2-CD1 4.18Å
1155W95.8Very high91.7Very high2 Ų243.4 Ų43.41%0.00824%0.235CC..SBendtrans-93.2-44.3169.1-160.8-27.8000109.9V955 P957 F1038 Y1101 V1150 Y1157 Y1224 S1226V955-W1155 PolarHBondContact O-NE1 2.98Å; P957-W1155 HydrophobicContact CB-CG 4.13Å; P957-W1155 HydrophobicContact CG-CD2 4.14Å; P957-W1155 HydrophobicContact CG-CG 3.97Å; F1038-W1155 HydrophobicContact CD1-CD2 4.1Å; F1038-W1155 AromaticContact CD1-CE3 3.72Å; F1038-W1155 HydrophobicContact CD1-CE3 3.72Å; F1038-W1155 HydrophobicContact CD1-CZ3 4.25Å; F1038-W1155 HydrophobicContact CE1-CB 4Å; F1038-W1155 HydrophobicContact CE1-CD2 4.08Å; F1038-W1155 AromaticContact CE1-CE3 3.56Å; F1038-W1155 HydrophobicContact CE1-CE3 3.56Å; F1038-W1155 HydrophobicContact CE1-CG 4.3Å; F1038-W1155 HydrophobicContact CE1-CZ3 4.36Å; F1038-W1155 HydrophobicContact CZ-CB 4.06Å; Y1101-W1155 VanDerWaalsContact O-CH2 3.28Å; Y1101-W1155 WeakPolarHBondContact O-CH2 3.39Å; Y1101-W1155 WeakPolarHBondContact O-CZ2 3.34Å; V1150-W1155 HydrophobicContact CG1-CB 3.91Å; V1150-W1155 HydrophobicContact CG1-CE3 4.1Å; V1150-W1155 WeakPolarHBondContact O-CA 3.21Å; V1150-W1155 VanDerWaalsContact O-CB 3.23Å; V1150-W1155 WeakPolarHBondContact O-CB 3.3Å; V1150-W1155 PolarHBondContact O-N 3.48Å; W1155-Y1157 HydrophobicContact CB-CD1 3.82Å; W1155-Y1157 HydrophobicContact CB-CE1 4Å; W1155-Y1157 AromaticContact CD1-CD1 3.71Å; W1155-Y1157 AromaticContact CD2-CD1 3.69Å; W1155-Y1157 HydrophobicContact CD2-CD1 3.69Å; W1155-Y1157 AromaticContact CD2-CE1 3.67Å; W1155-Y1157 HydrophobicContact CD2-CE1 3.67Å; W1155-Y1157 HydrophobicContact CE3-CD1 4.26Å; W1155-Y1157 AromaticContact CE3-CE1 3.73Å; W1155-Y1157 HydrophobicContact CE3-CE1 3.73Å; W1155-Y1157 AromaticContact CG-CD1 3.47Å; W1155-Y1157 HydrophobicContact CG-CD1 3.47Å; W1155-Y1157 VanDerWaalsContact CG-CD1 3.47Å; W1155-Y1157 AromaticContact CG-CE1 3.8Å; W1155-Y1157 HydrophobicContact CG-CE1 3.8Å; W1155-Y1157 HydrophobicContact CZ3-CE1 4.42Å; W1155-Y1224 WeakPolarHBondContact CZ3-O 3.5Å; W1155-S1226 WeakPolarHBondContact CZ2-OG 3.38Å
1156G93.3Very high91Very high21 Ų2145.6 Ų45.622%0.21625%0.253CS..  trans76.426.1168.600000114.8V1150 R1151 S1158V1150-G1156 PolarHBondContact O-N 3.36Å; V1150-G1156 VanDerWaalsContact O-N 3.1Å; R1151-G1156 CarbonylContact O-C 3.51Å; R1151-G1156 WeakPolarHBondContact O-CA 3.22Å; R1151-G1156 PolarHBondContact O-N 3.28Å; G1156-S1158 VanDerWaalsContact C-N 3.26Å
1157Y92Very high90.5Very high19 Ų1947.4 Ų47.48%0.07526%0.263CS..THydrogen-bonded Turntrans-79-8.4175.156.5-105.3000113.9R1151 W1155 Q1174 S1226R1151-Y1157 HydrophobicContact CB-CE2 4.08Å; R1151-Y1157 HydrophobicContact CG-CE1 4.47Å; R1151-Y1157 HydrophobicContact CG-CE2 3.66Å; R1151-Y1157 WeakPolarHBondContact CG-OH 3.49Å; R1151-Y1157 PolarHBondContact O-N 3.32Å; R1151-Y1157 VanDerWaalsContact O-N 3.16Å; W1155-Y1157 HydrophobicContact CB-CD1 3.82Å; W1155-Y1157 HydrophobicContact CB-CE1 4Å; W1155-Y1157 AromaticContact CD1-CD1 3.71Å; W1155-Y1157 AromaticContact CD2-CD1 3.69Å; W1155-Y1157 HydrophobicContact CD2-CD1 3.69Å; W1155-Y1157 AromaticContact CD2-CE1 3.67Å; W1155-Y1157 HydrophobicContact CD2-CE1 3.67Å; W1155-Y1157 HydrophobicContact CE3-CD1 4.26Å; W1155-Y1157 AromaticContact CE3-CE1 3.73Å; W1155-Y1157 HydrophobicContact CE3-CE1 3.73Å; W1155-Y1157 AromaticContact CG-CD1 3.47Å; W1155-Y1157 HydrophobicContact CG-CD1 3.47Å; W1155-Y1157 VanDerWaalsContact CG-CD1 3.47Å; W1155-Y1157 AromaticContact CG-CE1 3.8Å; W1155-Y1157 HydrophobicContact CG-CE1 3.8Å; W1155-Y1157 HydrophobicContact CZ3-CE1 4.42Å; Y1157-Q1174 HydrophobicContact CD2-CG 4.27Å; Y1157-Q1174 HydrophobicContact CE2-CB 4.32Å; Y1157-Q1174 HydrophobicContact CE2-CG 4.26Å; Y1157-Q1174 WeakPolarHBondContact CE2-O 3.28Å; Y1157-S1226 VanDerWaalsContact CE1-CB 3.43Å
1158S91.8Very high90Very high28 Ų2847.5 Ų47.520%0.19626%0.264CS..THydrogen-bonded Turntrans-141.562.7174.7-156.90000110.5R1151 G1156 D1160 E1161R1151-S1158 CarbonylContact O-C 3.57Å; R1151-S1158 PolarHBondContact O-N 3.3Å; G1156-S1158 VanDerWaalsContact C-N 3.26Å; S1158-D1160 VanDerWaalsContact C-N 3.25Å; S1158-D1160 PolarHBondContact O-N 2.98Å; S1158-E1161 WeakPolarHBondContact O-CB 3.37Å; S1158-E1161 PolarHBondContact O-N 3.24Å
1159S89.1Confident89.4Confident70 Ų7049.8 Ų49.849%0.4927%0.273SS..THydrogen-bonded Turntrans-62.4-32.6-175.8550000113.4E1161S1159-E1161 VanDerWaalsContact C-N 3.28Å; S1159-E1161 PolarHBondContact O-N 3.03Å
1160D88Confident88.8Confident146 Ų14655.1 Ų55.178%0.78129%0.293SS*.THydrogen-bonded Turntrans-88.99.8-175-56.4-18.7000112.6S1158 V1162S1158-D1160 VanDerWaalsContact C-N 3.25Å; S1158-D1160 PolarHBondContact O-N 2.98Å; D1160-V1162 PolarHBondContact O-N 2.81Å
1161E88.9Confident88.4Confident16 Ų1658.2 Ų58.28%0.07531%0.311CS..  trans-63.9122.6-179.7-173-173.510000111.9R1151 K1152 S1158 S1159 L1163 Y1173R1151-E1161 IonicContact CZ-OE1 3.78Å; R1151-E1161 IonicContact CZ-OE2 2.62Å; R1151-E1161 IonicContact NE-OE1 3.12Å; R1151-E1161 PolarHBondContact NE-OE1 2.96Å; R1151-E1161 IonicContact NE-OE2 2.66Å; R1151-E1161 PolarHBondContact NE-OE2 2.87Å; R1151-E1161 IonicContact NH2-OE1 3.96Å; R1151-E1161 PolarHBondContact NH2-OE1 3.35Å; R1151-E1161 IonicContact NH2-OE2 3.29Å; R1151-E1161 PolarHBondContact NH2-OE2 3.18Å; K1152-E1161 HydrophobicContact CD-CB 4.22Å; K1152-E1161 VanDerWaalsContact CE-O 3.3Å; K1152-E1161 WeakPolarHBondContact CE-O 3.47Å; K1152-E1161 HydrophobicContact CG-CB 4.06Å; K1152-E1161 PolarHBondContact NZ-O 2.93Å; S1158-E1161 WeakPolarHBondContact O-CB 3.37Å; S1158-E1161 PolarHBondContact O-N 3.24Å; S1159-E1161 VanDerWaalsContact C-N 3.28Å; S1159-E1161 PolarHBondContact O-N 3.03Å; E1161-L1163 HydrophobicContact CG-CB 4.23Å; E1161-L1163 HydrophobicContact CG-CD1 3.72Å; E1161-L1163 HydrophobicContact CG-CG 3.6Å; E1161-Y1173 WeakPolarHBondContact OE2-CB 3.26Å
1162V85.3Confident88Confident126 Ų12665.3 Ų65.376%0.76434%0.338SS*.  trans-124.169.3173.8-168.40000109.6D1160D1160-V1162 PolarHBondContact O-N 2.81Å
1163L89.2Confident87.7Confident56 Ų5662.7 Ų62.729%0.29333%0.326SS..  trans-99.4145.3178-64.6178.2000111.7E1161 D1167 L1168 R1172E1161-L1163 HydrophobicContact CG-CB 4.23Å; E1161-L1163 HydrophobicContact CG-CD1 3.72Å; E1161-L1163 HydrophobicContact CG-CG 3.6Å; L1163-D1167 HydrophobicContact CB-CB 4.28Å; L1163-D1167 HydrophobicContact CD2-CB 4.03Å; L1163-L1168 HydrophobicContact CB-CD2 3.98Å; L1163-L1168 HydrophobicContact CD1-CD2 4.04Å; L1163-R1172 WeakPolarHBondContact CD1-O 3.16Å
1164Q84.3Confident87.6Confident128 Ų12861 Ų6160%0.59832%0.318SS*.  trans-88159.5170.1-61.8-63.8-35.200110S1166 D1167 L1168Q1164-S1166 PolarHBondContact O-N 2.96Å; Q1164-S1166 VanDerWaalsContact O-N 3.1Å; Q1164-D1167 WeakPolarHBondContact O-CB 3.16Å; Q1164-D1167 PolarHBondContact O-N 3.19Å; Q1164-L1168 PolarHBondContact O-N 2.71Å; Q1164-L1168 VanDerWaalsContact O-N 3.16Å
1165A78.3Confident87.4Confident26 Ų2661 Ų6122%0.21532%0.319CS..Hα-helixtrans-52.8-36.3179.100000113.3P975 D1167 L1168 H1169P975-A1165 VanDerWaalsContact O-CB 3.28Å; P975-A1165 WeakPolarHBondContact O-CB 3.37Å; A1165-D1167 VanDerWaalsContact C-N 3.3Å; A1165-D1167 PolarHBondContact O-N 3.25Å; A1165-L1168 WeakPolarHBondContact O-CB 3.3Å; A1165-L1168 PolarHBondContact O-N 3.43Å; A1165-H1169 PolarHBondContact O-N 3.01Å
1166S79Confident87.4Confident69 Ų6961 Ų6148%0.48332%0.32SS..Hα-helixtrans-64.5-29.8176.2540000114.4Q1164 R1170Q1164-S1166 PolarHBondContact O-N 2.96Å; Q1164-S1166 VanDerWaalsContact O-N 3.1Å; S1166-R1170 WeakPolarHBondContact O-CG 3.31Å
1167D84.1Confident87.5Confident37 Ų3761.7 Ų61.720%0.19832%0.315CS..Hα-helixtrans-78.8-33.4174.5-66.4-59.5000111L1163 Q1164 A1165 R1170 V1171 R1172L1163-D1167 HydrophobicContact CB-CB 4.28Å; L1163-D1167 HydrophobicContact CD2-CB 4.03Å; Q1164-D1167 WeakPolarHBondContact O-CB 3.16Å; Q1164-D1167 PolarHBondContact O-N 3.19Å; A1165-D1167 VanDerWaalsContact C-N 3.3Å; A1165-D1167 PolarHBondContact O-N 3.25Å; D1167-R1170 CarbonylContact O-C 3.47Å; D1167-R1170 PolarHBondContact O-N 3.42Å; D1167-V1171 PolarHBondContact O-N 3.38Å; D1167-R1172 HydrophobicContact CB-CB 4.26Å; D1167-R1172 WeakPolarHBondContact O-CB 3.47Å; D1167-R1172 PolarHBondContact O-N 3.16Å; D1167-R1172 VanDerWaalsContact O-N 3.12Å; D1167-R1172 WeakPolarHBondContact OD1-CD 3.38Å; D1167-R1172 IonicContact OD1-CZ 2.72Å; D1167-R1172 IonicContact OD1-NH1 3.65Å; D1167-R1172 PolarHBondContact OD1-NH1 3.22Å; D1167-R1172 VanDerWaalsContact OD1-NH1 3.08Å
1168L85.8Confident87.6Confident3 Ų361 Ų612%0.01631%0.313CS..Hα-helixtrans-61.7-46.5173.4-57.5179.3000111.4F976 E1144 V1148 L1163 Q1164 A1165 R1170 V1171 Y1173F976-L1168 HydrophobicContact CD1-CD1 3.76Å; F976-L1168 HydrophobicContact CE1-CD1 3.67Å; E1144-L1168 HydrophobicContact CG-CB 4.13Å; E1144-L1168 HydrophobicContact CG-CD1 4.16Å; V1148-L1168 HydrophobicContact CG2-CD1 3.43Å; V1148-L1168 VanDerWaalsContact CG2-CD1 3.43Å; V1148-L1168 HydrophobicContact CG2-CD2 3.92Å; V1148-L1168 HydrophobicContact CG2-CG 4.34Å; L1163-L1168 HydrophobicContact CB-CD2 3.98Å; L1163-L1168 HydrophobicContact CD1-CD2 4.04Å; Q1164-L1168 PolarHBondContact O-N 2.71Å; Q1164-L1168 VanDerWaalsContact O-N 3.16Å; A1165-L1168 WeakPolarHBondContact O-CB 3.3Å; A1165-L1168 PolarHBondContact O-N 3.43Å; L1168-R1170 PolarHBondContact O-N 3.04Å; L1168-R1170 VanDerWaalsContact O-N 3.11Å; L1168-V1171 PolarHBondContact O-N 3.26Å; L1168-Y1173 HydrophobicContact CB-CD1 4.47Å; L1168-Y1173 HydrophobicContact CB-CE1 4.37Å; L1168-Y1173 HydrophobicContact CD2-CD1 3.67Å; L1168-Y1173 HydrophobicContact CD2-CE1 4.28Å; L1168-Y1173 WeakPolarHBondContact O-CE1 3.44Å
1169H80.9Confident87.6Confident70 Ų7060 Ų6032%0.32431%0.307SS..THydrogen-bonded Turntrans-63.6-17.9176.9-58.7160.1000113.3F976 A1165F976-H1169 PolarHBondContact O-NE2 3.15Å; F976-H1169 VanDerWaalsContact O-NE2 3.12Å; A1165-H1169 PolarHBondContact O-N 3.01Å
1170R83.4Confident87.8Confident168 Ų16857.3 Ų57.363%0.63429%0.289SS*.THydrogen-bonded Turntrans-95.36.4173.7-68.3178.8-179.9-173.20.5113.3S1166 D1167 L1168 R1172S1166-R1170 WeakPolarHBondContact O-CG 3.31Å; D1167-R1170 CarbonylContact O-C 3.47Å; D1167-R1170 PolarHBondContact O-N 3.42Å; L1168-R1170 PolarHBondContact O-N 3.04Å; L1168-R1170 VanDerWaalsContact O-N 3.11Å; R1170-R1172 HydrophobicContact CB-CG 4Å; R1170-R1172 PolarHBondContact O-N 3.36Å
1171V86.9Confident87.7Confident64 Ų6451.5 Ų51.539%0.38826%0.263SS..THydrogen-bonded Turntrans56.437.1-179.7-162.70000111.5D1167 L1168 Y1173 Y1232D1167-V1171 PolarHBondContact O-N 3.38Å; L1168-V1171 PolarHBondContact O-N 3.26Å; V1171-Y1173 HydrophobicContact CG1-CE2 3.77Å; V1171-Y1173 PolarHBondContact O-N 3.45Å; V1171-Y1232 HydrophobicContact CG1-CD2 4.36Å; V1171-Y1232 HydrophobicContact CG1-CE2 4.17Å
1172R86.5Confident87.7Confident150 Ų15055.7 Ų55.757%0.56628%0.279SS*.  trans-8426.1178.8-69.3-179.6165.3-169.7-10.6113.6L1163 D1167 R1170L1163-R1172 WeakPolarHBondContact CD1-O 3.16Å; D1167-R1172 HydrophobicContact CB-CB 4.26Å; D1167-R1172 WeakPolarHBondContact O-CB 3.47Å; D1167-R1172 PolarHBondContact O-N 3.16Å; D1167-R1172 VanDerWaalsContact O-N 3.12Å; D1167-R1172 WeakPolarHBondContact OD1-CD 3.38Å; D1167-R1172 IonicContact OD1-CZ 2.72Å; D1167-R1172 IonicContact OD1-NH1 3.65Å; D1167-R1172 PolarHBondContact OD1-NH1 3.22Å; D1167-R1172 VanDerWaalsContact OD1-NH1 3.08Å; R1170-R1172 HydrophobicContact CB-CG 4Å; R1170-R1172 PolarHBondContact O-N 3.36Å
1173Y90.3Very high87.9Confident19 Ų1953.7 Ų53.78%0.07527%0.269CS..SBendtrans-111.9159177.247.6-108.3000110.7E1144 H1147 R1151 E1161 L1168 V1171 G1175 R1177E1144-Y1173 WeakPolarHBondContact OE1-CE1 3.1Å; H1147-Y1173 AromaticContact CE1-CD2 3.88Å; H1147-Y1173 AromaticContact CE1-CE2 3.44Å; H1147-Y1173 VanDerWaalsContact CE1-CE2 3.44Å; H1147-Y1173 WeakPolarHBondContact CE1-CE2 3.44Å; H1147-Y1173 AromaticContact CE1-CZ 3.99Å; H1147-Y1173 AromaticContact ND1-CE2 3.84Å; H1147-Y1173 AromaticContact ND1-CZ 3.91Å; R1151-Y1173 VanDerWaalsContact CZ-CG 3.42Å; R1151-Y1173 VanDerWaalsContact NE-CB 3.34Å; E1161-Y1173 WeakPolarHBondContact OE2-CB 3.26Å; L1168-Y1173 HydrophobicContact CB-CD1 4.47Å; L1168-Y1173 HydrophobicContact CB-CE1 4.37Å; L1168-Y1173 HydrophobicContact CD2-CD1 3.67Å; L1168-Y1173 HydrophobicContact CD2-CE1 4.28Å; L1168-Y1173 WeakPolarHBondContact O-CE1 3.44Å; V1171-Y1173 HydrophobicContact CG1-CE2 3.77Å; V1171-Y1173 PolarHBondContact O-N 3.45Å; Y1173-G1175 WeakPolarHBondContact CD2-O 3.37Å; Y1173-G1175 WeakPolarHBondContact CE2-O 3.36Å; Y1173-R1177 PolarHBondContact OH-NH1 2.95Å
1174Q91.4Very high87.9Confident59 Ų5951.3 Ų51.328%0.27626%0.257SS..SBendtrans-70138.4172.3-177.8179.9-20.300110.5R1151 Y1157 S1226 P1228R1151-Q1174 WeakPolarHBondContact CD-O 3.17Å; Y1157-Q1174 HydrophobicContact CD2-CG 4.27Å; Y1157-Q1174 HydrophobicContact CE2-CB 4.32Å; Y1157-Q1174 HydrophobicContact CE2-CG 4.26Å; Y1157-Q1174 WeakPolarHBondContact CE2-O 3.28Å; Q1174-S1226 PolarHBondContact NE2-O 2.93Å; Q1174-P1228 HydrophobicContact CG-CB 4.43Å; Q1174-P1228 HydrophobicContact CG-CG 4.47Å
1175G92.3Very high88.2Confident3 Ų345.7 Ų45.73%0.03123%0.23CC..SBendtrans83170.9177.500000114Y1173 F1225Y1173-G1175 WeakPolarHBondContact CD2-O 3.37Å; Y1173-G1175 WeakPolarHBondContact CE2-O 3.36Å; G1175-F1225 CarbonylContact C-O 3.15Å; G1175-F1225 WeakPolarHBondContact CA-O 3.49Å
1176I94.9Very high88.8Confident4 Ų445 Ų452%0.02122%0.224CC..BIsolated β-bridgetrans-137.3164.1-176.258.1170.8000111.3F1090 P1178 F1225 A1230 Y1232F1090-I1176 HydrophobicContact CD2-CD1 4.31Å; F1090-I1176 HydrophobicContact CE2-CD1 4.25Å; I1176-P1178 HydrophobicContact CD1-CG 4.2Å; I1176-P1178 HydrophobicContact CG1-CG 4.47Å; I1176-F1225 HydrophobicContact CG1-CB 3.87Å; I1176-F1225 HydrophobicContact CG1-CD2 4.25Å; I1176-F1225 HydrophobicContact CG1-CG 4.34Å; I1176-F1225 PolarHBondContact N-O 3.43Å; I1176-F1225 PolarHBondContact O-N 2.72Å; I1176-A1230 HydrophobicContact CD1-CB 3.99Å; I1176-A1230 HydrophobicContact CG1-CB 3.78Å; I1176-A1230 WeakPolarHBondContact CG2-O 3.16Å; I1176-Y1232 HydrophobicContact CB-CD2 4.36Å; I1176-Y1232 HydrophobicContact CB-CE2 3.93Å; I1176-Y1232 HydrophobicContact CG2-CD2 3.9Å; I1176-Y1232 HydrophobicContact CG2-CE2 3.82Å
1177R95.1Very high89.4Confident34 Ų3441.9 Ų41.913%0.12820%0.202CC..  trans-127.258.6177.362.8169-168.9-81.3-0.6114.3F1105 E1144 H1147 Y1173 A1179 L1223 Y1224 Y1232F1105-R1177 HydrophobicContact CE1-CB 4.09Å; E1144-R1177 IonicContact OE1-CZ 2.88Å; E1144-R1177 IonicContact OE1-NH1 3.07Å; E1144-R1177 PolarHBondContact OE1-NH1 2.97Å; E1144-R1177 IonicContact OE1-NH2 2.78Å; E1144-R1177 IonicContact OE2-CZ 2.72Å; E1144-R1177 VanDerWaalsContact OE2-CZ 3.3Å; E1144-R1177 IonicContact OE2-NH1 3.3Å; E1144-R1177 PolarHBondContact OE2-NH1 3.04Å; E1144-R1177 IonicContact OE2-NH2 3.91Å; E1144-R1177 PolarHBondContact OE2-NH2 2.88Å; H1147-R1177 PolarHBondContact ND1-NH1 2.73Å; Y1173-R1177 PolarHBondContact OH-NH1 2.95Å; R1177-A1179 PolarHBondContact O-N 2.92Å; R1177-L1223 CarbonylContact C-O 3.47Å; R1177-L1223 VanDerWaalsContact C-O 3.27Å; R1177-L1223 WeakPolarHBondContact CA-O 3.44Å; R1177-Y1224 HydrophobicContact CB-CD1 3.57Å; R1177-Y1224 HydrophobicContact CB-CE1 3.58Å; R1177-Y1224 HydrophobicContact CG-CE1 4.45Å; R1177-Y1232 VanDerWaalsContact C-OH 3.22Å; R1177-Y1232 WeakPolarHBondContact CA-OH 3.47Å; R1177-Y1232 WeakPolarHBondContact CG-OH 3.45Å; R1177-Y1232 PolarHBondContact N-OH 2.88Å; R1177-Y1232 PolarHBondContact O-OH 3.22Å
1178P93.8Very high89.7Confident4 Ų440.9 Ų40.93%0.02620%0.196CC..  trans-59.7136.9-177.628.1-37000111.7I1176 G1222 L1223 F1225 Y1232I1176-P1178 HydrophobicContact CD1-CG 4.2Å; I1176-P1178 HydrophobicContact CG1-CG 4.47Å; P1178-G1222 WeakPolarHBondContact O-CA 3.02Å; P1178-L1223 VanDerWaalsContact CD-O 3.31Å; P1178-L1223 WeakPolarHBondContact CD-O 3.2Å; P1178-L1223 PolarHBondContact O-N 3.42Å; P1178-F1225 HydrophobicContact CG-CD2 3.63Å; P1178-F1225 HydrophobicContact CG-CE2 3.39Å; P1178-F1225 HydrophobicContact CG-CZ 4.47Å; P1178-Y1232 HydrophobicContact CB-CE1 4.31Å
1179A93.1Very high90.1Very high8 Ų841.6 Ų41.67%0.06620%0.2CC..  trans-112.9142.8-179.800000110.4R1177 G1181 Y1182 S1221R1177-A1179 PolarHBondContact O-N 2.92Å; A1179-G1181 PolarHBondContact O-N 3.2Å; A1179-Y1182 HydrophobicContact CB-CD1 3.61Å; A1179-Y1182 HydrophobicContact CB-CE1 3.64Å; A1179-Y1182 HydrophobicContact CB-CG 4.29Å; A1179-Y1182 VanDerWaalsContact O-CB 3.29Å; A1179-Y1182 WeakPolarHBondContact O-CB 3.48Å; A1179-Y1182 WeakPolarHBondContact O-CD1 3.41Å; A1179-Y1182 PolarHBondContact O-N 3.19Å; A1179-S1221 WeakPolarHBondContact CB-O 3.37Å
1180A91.6Very high90.8Very high13 Ų1338.3 Ų38.311%0.10719%0.185CC..THydrogen-bonded Turntrans-65.5119178.700000111Q1185 E1190 K1191A1180-Q1185 CarbonylContact C-O 3.51Å; A1180-Q1185 WeakPolarHBondContact CA-O 3.42Å; A1180-E1190 HydrophobicContact CB-CB 4.03Å; A1180-K1191 HydrophobicContact CB-CG 3.8Å; A1180-K1191 PolarHBondContact O-NZ 2.93Å
1181G86.6Confident91.3Very high24 Ų2430.6 Ų30.625%0.24716%0.156CC..THydrogen-bonded Turntrans114.2-15.5-169.700000113.7A1179 Q1185 H1188A1179-G1181 PolarHBondContact O-N 3.2Å; G1181-Q1185 PolarHBondContact N-O 3.05Å; G1181-H1188 VanDerWaalsContact CA-CD2 3.49Å; G1181-H1188 WeakPolarHBondContact CA-CD2 3.36Å; G1181-H1188 VanDerWaalsContact CA-NE2 3.27Å; G1181-H1188 WeakPolarHBondContact CA-NE2 3.45Å
1182Y89.6Confident91.7Very high105 Ų10531.3 Ų31.341%0.41216%0.157SC..BIsolated β-bridgetrans-76.3159.7175.9-80.149.1000110.7A1179 S1184 Q1185 P1186A1179-Y1182 HydrophobicContact CB-CD1 3.61Å; A1179-Y1182 HydrophobicContact CB-CE1 3.64Å; A1179-Y1182 HydrophobicContact CB-CG 4.29Å; A1179-Y1182 VanDerWaalsContact O-CB 3.29Å; A1179-Y1182 WeakPolarHBondContact O-CB 3.48Å; A1179-Y1182 WeakPolarHBondContact O-CD1 3.41Å; A1179-Y1182 PolarHBondContact O-N 3.19Å; Y1182-S1184 PolarHBondContact O-N 3.4Å; Y1182-Q1185 CarbonylContact O-C 3.32Å; Y1182-Q1185 PolarHBondContact O-N 2.93Å; Y1182-P1186 VanDerWaalsContact O-CA 3.28Å; Y1182-P1186 WeakPolarHBondContact O-CA 3.47Å
1183P88.4Confident92.1Very high84 Ų8424.7 Ų24.755%0.54513%0.134SC..THydrogen-bonded Turntrans-55-26.2177.2-28.236000115.2A1234 V1235P1183-A1234 HydrophobicContact CB-CB 3.81Å; P1183-V1235 WeakPolarHBondContact O-CG2 3.43Å; P1183-V1235 PolarHBondContact O-N 2.98Å
1184S89.8Confident92.3Very high5 Ų523.9 Ų23.94%0.03513%0.131CC..THydrogen-bonded Turntrans-78-23.5175.9-44.20000113.7V1087 Y1182 F1233V1087-S1184 WeakPolarHBondContact CG1-O 3.48Å; Y1182-S1184 PolarHBondContact O-N 3.4Å; S1184-F1233 WeakPolarHBondContact CA-O 3.44Å; S1184-F1233 WeakPolarHBondContact CB-O 3.45Å; S1184-F1233 PolarHBondContact N-O 3.26Å; S1184-F1233 PolarHBondContact OG-N 3.21Å; S1184-F1233 PolarHBondContact OG-O 2.83Å
1185Q90.7Very high92.6Very high10 Ų1022 Ų225%0.04712%0.121CC..BIsolated β-bridgetrans-146.670.5179.1-169.870.1-13.800109.4H1068 A1180 G1181 Y1182 D1187H1068-Q1185 PolarHBondContact O-NE2 2.95Å; A1180-Q1185 CarbonylContact C-O 3.51Å; A1180-Q1185 WeakPolarHBondContact CA-O 3.42Å; G1181-Q1185 PolarHBondContact N-O 3.05Å; Y1182-Q1185 CarbonylContact O-C 3.32Å; Y1182-Q1185 PolarHBondContact O-N 2.93Å; Q1185-D1187 PolarHBondContact O-N 3.44Å
1186P90.7Very high92.7Very high13 Ų1330.9 Ų30.98%0.08415%0.154CC..  trans-70.3-18.4-167.424.1-31.8000113.7L1070 Y1182 H1188 V1235 L1261 I1264L1070-P1186 HydrophobicContact CD1-CG 3.77Å; Y1182-P1186 VanDerWaalsContact O-CA 3.28Å; Y1182-P1186 WeakPolarHBondContact O-CA 3.47Å; P1186-H1188 PolarHBondContact O-N 2.97Å; P1186-V1235 HydrophobicContact CG-CB 4.46Å; P1186-V1235 HydrophobicContact CG-CG2 4.34Å; P1186-L1261 HydrophobicContact CG-CD2 4.49Å; P1186-I1264 HydrophobicContact CB-CD1 4.3Å; P1186-I1264 HydrophobicContact CB-CG2 4.33Å; P1186-I1264 HydrophobicContact CG-CD1 3.62Å; P1186-I1264 HydrophobicContact CG-CG2 4.5Å
1187D92.2Very high92.7Very high3 Ų332.2 Ų32.22%0.01616%0.161CC..  trans-72.4110.1178.8-172.4-3.6000112.1Q1185 T1189 E1190 Y1246 K1250 L1261Q1185-D1187 PolarHBondContact O-N 3.44Å; D1187-T1189 PolarHBondContact O-N 2.75Å; D1187-T1189 WeakPolarHBondContact OD1-CB 3.13Å; D1187-T1189 WeakPolarHBondContact OD1-CG2 3.38Å; D1187-T1189 PolarHBondContact OD1-N 3Å; D1187-T1189 PolarHBondContact OD1-OG1 3.42Å; D1187-T1189 PolarHBondContact OD2-OG1 3.18Å; D1187-E1190 HydrophobicContact CB-CG 4.34Å; D1187-Y1246 VanDerWaalsContact OD2-CE1 3.28Å; D1187-Y1246 WeakPolarHBondContact OD2-CE1 3.36Å; D1187-Y1246 VanDerWaalsContact OD2-CZ 3.32Å; D1187-Y1246 PolarHBondContact OD2-OH 3.49Å; D1187-K1250 IonicContact OD2-NZ 3.25Å; D1187-K1250 PolarHBondContact OD2-NZ 2.91Å; D1187-L1261 HydrophobicContact CB-CD2 3.92Å
1188H90.8Very high92.6Very high15 Ų1530.7 Ų30.77%0.06916%0.156CC..THydrogen-bonded Turntrans-64.3-26.6177.1-86.6-113000113.5G1181 P1186 E1190 K1191 L1212 W1260G1181-H1188 VanDerWaalsContact CA-CD2 3.49Å; G1181-H1188 WeakPolarHBondContact CA-CD2 3.36Å; G1181-H1188 VanDerWaalsContact CA-NE2 3.27Å; G1181-H1188 WeakPolarHBondContact CA-NE2 3.45Å; P1186-H1188 PolarHBondContact O-N 2.97Å; H1188-E1190 PolarHBondContact O-N 2.74Å; H1188-K1191 VanDerWaalsContact CG-NZ 3.34Å; H1188-K1191 PolarHBondContact ND1-NZ 2.87Å; H1188-K1191 WeakPolarHBondContact O-CB 3.32Å; H1188-K1191 PolarHBondContact O-N 3.45Å; H1188-K1191 VanDerWaalsContact O-N 3.12Å; H1188-K1191 PolarHBondContact O-NZ 3Å; H1188-L1212 HydrophobicContact CB-CB 4.45Å; H1188-L1212 HydrophobicContact CB-CD1 4.25Å; H1188-L1212 WeakPolarHBondContact O-CD1 3.5Å; H1188-W1260 HydrophobicContact CB-CE3 4.18Å; H1188-W1260 HydrophobicContact CB-CZ3 4.15Å
1189T93.6Very high92.6Very high18 Ų1832.3 Ų32.311%0.1117%0.169CC..THydrogen-bonded Turntrans-69.1-15-173.768.20000113.6D1187 K1191 L1192 L1212 K1250 W1260D1187-T1189 PolarHBondContact O-N 2.75Å; D1187-T1189 WeakPolarHBondContact OD1-CB 3.13Å; D1187-T1189 WeakPolarHBondContact OD1-CG2 3.38Å; D1187-T1189 PolarHBondContact OD1-N 3Å; D1187-T1189 PolarHBondContact OD1-OG1 3.42Å; D1187-T1189 PolarHBondContact OD2-OG1 3.18Å; T1189-K1191 PolarHBondContact O-N 2.74Å; T1189-L1192 VanDerWaalsContact O-CB 3.29Å; T1189-L1192 WeakPolarHBondContact O-CB 3.39Å; T1189-L1192 PolarHBondContact O-N 3.34Å; T1189-L1212 HydrophobicContact CG2-CD1 3.83Å; T1189-K1250 PolarHBondContact OG1-NZ 3.36Å; T1189-W1260 HydrophobicContact CG2-CB 4.46Å; T1189-W1260 HydrophobicContact CG2-CD2 3.44Å; T1189-W1260 VanDerWaalsContact CG2-CD2 3.44Å; T1189-W1260 VanDerWaalsContact CG2-CE2 3.47Å; T1189-W1260 HydrophobicContact CG2-CE3 3.92Å; T1189-W1260 HydrophobicContact CG2-CG 3.67Å; T1189-W1260 HydrophobicContact CG2-CH2 4.41Å; T1189-W1260 HydrophobicContact CG2-CZ2 3.99Å; T1189-W1260 HydrophobicContact CG2-CZ3 4.37Å
1190E94.7Very high92.7Very high1 Ų132 Ų321%0.00517%0.166CC..Hα-helixtrans-60.3-24.1170.4-67.4-64.198.200113.1F1067 H1068 A1180 D1187 H1188 L1192 T1193 M1194 K1250F1067-E1190 WeakPolarHBondContact CA-OE2 3.15Å; F1067-E1190 WeakPolarHBondContact CD1-OE2 3.39Å; H1068-E1190 IonicContact CD2-OE1 2.75Å; H1068-E1190 PolarHBondContact N-OE2 3.26Å; A1180-E1190 HydrophobicContact CB-CB 4.03Å; D1187-E1190 HydrophobicContact CB-CG 4.34Å; H1188-E1190 PolarHBondContact O-N 2.74Å; E1190-L1192 PolarHBondContact O-N 3.49Å; E1190-T1193 WeakPolarHBondContact O-CB 3.37Å; E1190-T1193 PolarHBondContact O-N 2.82Å; E1190-T1193 VanDerWaalsContact O-N 3.1Å; E1190-M1194 WeakPolarHBondContact O-CG 3.35Å; E1190-M1194 PolarHBondContact O-N 3.41Å; E1190-K1250 WeakPolarHBondContact OE1-CE 3.3Å; E1190-K1250 IonicContact OE1-NZ 2.97Å; E1190-K1250 PolarHBondContact OE1-NZ 2.75Å
1191K95.1Very high92.8Very high6 Ų637 Ų373%0.02619%0.188CC..Hα-helixtrans-59.7-32.9170.8-72.4-174.4-79.6-62.70112.3A1180 H1188 T1189 T1193 M1194 W1195 L1208 L1212A1180-K1191 HydrophobicContact CB-CG 3.8Å; A1180-K1191 PolarHBondContact O-NZ 2.93Å; H1188-K1191 VanDerWaalsContact CG-NZ 3.34Å; H1188-K1191 PolarHBondContact ND1-NZ 2.87Å; H1188-K1191 WeakPolarHBondContact O-CB 3.32Å; H1188-K1191 PolarHBondContact O-N 3.45Å; H1188-K1191 VanDerWaalsContact O-N 3.12Å; H1188-K1191 PolarHBondContact O-NZ 3Å; T1189-K1191 PolarHBondContact O-N 2.74Å; K1191-T1193 VanDerWaalsContact C-N 3.29Å; K1191-T1193 PolarHBondContact O-N 3.46Å; K1191-M1194 HydrophobicContact CG-SD 4.35Å; K1191-M1194 WeakPolarHBondContact O-CB 3.3Å; K1191-M1194 PolarHBondContact O-N 3.2Å; K1191-W1195 HydrophobicContact CB-CE3 4.12Å; K1191-W1195 HydrophobicContact CB-CZ3 4.07Å; K1191-W1195 HydrophobicContact CD-CZ3 4.37Å; K1191-W1195 HydrophobicContact CG-CZ3 4.16Å; K1191-W1195 WeakPolarHBondContact O-CB 3.46Å; K1191-W1195 PolarHBondContact O-N 3.3Å; K1191-L1208 HydrophobicContact CB-CD1 4.04Å; K1191-L1208 HydrophobicContact CB-CD2 4.31Å; K1191-L1208 HydrophobicContact CD-CD2 4.15Å; K1191-L1212 WeakPolarHBondContact CE-O 3.28Å
1192L94.9Very high93.1Very high79 Ų7944 Ų4441%0.41421%0.211SC..Hα-helixtrans-64.7-36.9176.6-64.1173.5000111.7T1189 E1190 R1196 L1208 L1212T1189-L1192 VanDerWaalsContact O-CB 3.29Å; T1189-L1192 WeakPolarHBondContact O-CB 3.39Å; T1189-L1192 PolarHBondContact O-N 3.34Å; E1190-L1192 PolarHBondContact O-N 3.49Å; L1192-R1196 WeakPolarHBondContact O-CB 3.4Å; L1192-R1196 VanDerWaalsContact O-CG 3.26Å; L1192-R1196 WeakPolarHBondContact O-CG 3.4Å; L1192-R1196 PolarHBondContact O-N 3.08Å; L1192-R1196 VanDerWaalsContact O-N 3.14Å; L1192-R1196 PolarHBondContact O-NE 3.15Å; L1192-R1196 VanDerWaalsContact O-NE 3.08Å; L1192-L1208 HydrophobicContact CD2-CD1 4.11Å; L1192-L1212 HydrophobicContact CD1-CD1 4.34Å; L1192-L1212 HydrophobicContact CD1-CD2 4.21Å; L1192-L1212 HydrophobicContact CD2-CD2 3.57Å; L1192-L1212 HydrophobicContact CG-CD1 4.23Å; L1192-L1212 HydrophobicContact CG-CD2 3.83Å
1193T94.8Very high93.3Very high12 Ų1242.6 Ų42.67%0.07421%0.208CC..Hα-helixtrans-67.5-44.1174.1-58.50000110.5A1065 F1067 E1190 K1191 W1195 R1196 L1197A1065-T1193 HydrophobicContact CB-CG2 3.9Å; F1067-T1193 HydrophobicContact CD1-CG2 3.87Å; F1067-T1193 HydrophobicContact CE1-CG2 3.54Å; F1067-T1193 HydrophobicContact CZ-CG2 4.05Å; E1190-T1193 WeakPolarHBondContact O-CB 3.37Å; E1190-T1193 PolarHBondContact O-N 2.82Å; E1190-T1193 VanDerWaalsContact O-N 3.1Å; K1191-T1193 VanDerWaalsContact C-N 3.29Å; K1191-T1193 PolarHBondContact O-N 3.46Å; T1193-W1195 PolarHBondContact O-N 3.3Å; T1193-R1196 PolarHBondContact O-N 2.92Å; T1193-R1196 PolarHBondContact OG1-NH2 2.89Å; T1193-L1197 VanDerWaalsContact O-CB 3.29Å; T1193-L1197 WeakPolarHBondContact O-CB 3.37Å; T1193-L1197 PolarHBondContact O-N 3.48Å
1194M95.3Very high93.6Very high2 Ų238.7 Ų38.71%0.0118%0.183CC..Hα-helixtrans-58.3-48.2175.6-65.4170.265.900112.5F1067 L1104 E1190 K1191 R1196 L1197 A1198 G1222 L1223F1067-M1194 HydrophobicContact CE1-CG 3.64Å; F1067-M1194 HydrophobicContact CZ-CG 4.09Å; L1104-M1194 HydrophobicContact CD1-CB 3.58Å; L1104-M1194 HydrophobicContact CD1-CE 4.38Å; L1104-M1194 HydrophobicContact CD1-CG 3.73Å; L1104-M1194 HydrophobicContact CG-CB 4.35Å; L1104-M1194 HydrophobicContact CG-CE 4Å; L1104-M1194 HydrophobicContact CG-CG 4.36Å; E1190-M1194 WeakPolarHBondContact O-CG 3.35Å; E1190-M1194 PolarHBondContact O-N 3.41Å; K1191-M1194 HydrophobicContact CG-SD 4.35Å; K1191-M1194 WeakPolarHBondContact O-CB 3.3Å; K1191-M1194 PolarHBondContact O-N 3.2Å; M1194-R1196 PolarHBondContact O-N 3.26Å; M1194-L1197 PolarHBondContact O-N 3.34Å; M1194-A1198 PolarHBondContact O-N 3.27Å; M1194-G1222 WeakPolarHBondContact CE-O 3.36Å; M1194-L1223 HydrophobicContact CG-CD2 4.24Å
1195W96.3Very high93.7Very high19 Ų1940.2 Ų40.27%0.07220%0.2CC..Hα-helixtrans-63.6-40-178.8-100.6-115.7000112.2K1191 T1193 A1199 V1200 I1206 L1208 M1214K1191-W1195 HydrophobicContact CB-CE3 4.12Å; K1191-W1195 HydrophobicContact CB-CZ3 4.07Å; K1191-W1195 HydrophobicContact CD-CZ3 4.37Å; K1191-W1195 HydrophobicContact CG-CZ3 4.16Å; K1191-W1195 WeakPolarHBondContact O-CB 3.46Å; K1191-W1195 PolarHBondContact O-N 3.3Å; T1193-W1195 PolarHBondContact O-N 3.3Å; W1195-A1199 WeakPolarHBondContact O-CA 3.38Å; W1195-A1199 PolarHBondContact O-N 2.65Å; W1195-V1200 HydrophobicContact CD2-CB 3.84Å; W1195-V1200 HydrophobicContact CD2-CG1 4.06Å; W1195-V1200 HydrophobicContact CD2-CG2 4.19Å; W1195-V1200 HydrophobicContact CE3-CB 4.41Å; W1195-V1200 HydrophobicContact CE3-CG2 4.3Å; W1195-V1200 HydrophobicContact CG-CB 3.93Å; W1195-V1200 HydrophobicContact CG-CG2 4.44Å; W1195-V1200 HydrophobicContact CH2-CG1 4.29Å; W1195-V1200 HydrophobicContact CZ2-CB 4.46Å; W1195-V1200 HydrophobicContact CZ2-CG1 3.75Å; W1195-V1200 PolarHBondContact O-N 2.82Å; W1195-I1206 HydrophobicContact CZ2-CB 4.4Å; W1195-I1206 HydrophobicContact CZ2-CG2 3.83Å; W1195-I1206 PolarHBondContact NE1-O 2.88Å; W1195-L1208 HydrophobicContact CB-CD1 4.24Å; W1195-L1208 HydrophobicContact CD2-CD1 3.57Å; W1195-L1208 HydrophobicContact CD2-CD2 4.29Å; W1195-L1208 HydrophobicContact CD2-CG 3.85Å; W1195-L1208 HydrophobicContact CE3-CD1 3.97Å; W1195-L1208 HydrophobicContact CE3-CD2 4.44Å; W1195-L1208 HydrophobicContact CE3-CG 4.41Å; W1195-L1208 HydrophobicContact CG-CD1 3.68Å; W1195-L1208 HydrophobicContact CG-CG 4.18Å; W1195-L1208 HydrophobicContact CH2-CD2 3.89Å; W1195-L1208 HydrophobicContact CH2-CG 4.44Å; W1195-L1208 HydrophobicContact CZ2-CD1 4.47Å; W1195-L1208 HydrophobicContact CZ2-CD2 3.7Å; W1195-L1208 HydrophobicContact CZ2-CG 3.89Å; W1195-L1208 HydrophobicContact CZ3-CD2 4.25Å; W1195-M1214 HydrophobicContact CH2-CG 3.81Å; W1195-M1214 HydrophobicContact CH2-SD 3.61Å; W1195-M1214 HydrophobicContact CZ2-CG 4.1Å; W1195-M1214 HydrophobicContact CZ2-SD 4.32Å
1196R94.8Very high93.9Very high189 Ų18939.8 Ų39.871%0.71320%0.198SC*.Hα-helixtrans-69.2-45.1176.6-73.5-179.6-67169.21.4112L1192 T1193 M1194L1192-R1196 WeakPolarHBondContact O-CB 3.4Å; L1192-R1196 VanDerWaalsContact O-CG 3.26Å; L1192-R1196 WeakPolarHBondContact O-CG 3.4Å; L1192-R1196 PolarHBondContact O-N 3.08Å; L1192-R1196 VanDerWaalsContact O-N 3.14Å; L1192-R1196 PolarHBondContact O-NE 3.15Å; L1192-R1196 VanDerWaalsContact O-NE 3.08Å; T1193-R1196 PolarHBondContact O-N 2.92Å; T1193-R1196 PolarHBondContact OG1-NH2 2.89Å; M1194-R1196 PolarHBondContact O-N 3.26Å
1197L94Very high94.1Very high33 Ų3339.3 Ų39.317%0.17320%0.196CC..Hα-helixtrans-65.1-46.6-176.4179.363.6000112.2W1039 V1050 V1064 A1065 F1067 L1104 T1193 M1194W1039-L1197 HydrophobicContact CD2-CD1 4.5Å; W1039-L1197 HydrophobicContact CD2-CD2 4.02Å; W1039-L1197 HydrophobicContact CD2-CG 4.29Å; W1039-L1197 HydrophobicContact CE3-CD2 4.12Å; W1039-L1197 HydrophobicContact CH2-CD2 4.44Å; W1039-L1197 HydrophobicContact CH2-CG 4.32Å; W1039-L1197 HydrophobicContact CZ2-CD1 4.39Å; W1039-L1197 HydrophobicContact CZ2-CD2 4.32Å; W1039-L1197 HydrophobicContact CZ2-CG 3.87Å; W1039-L1197 HydrophobicContact CZ3-CD2 4.35Å; V1050-L1197 HydrophobicContact CG1-CD1 4.48Å; V1050-L1197 HydrophobicContact CG1-CD2 4.09Å; V1064-L1197 HydrophobicContact CG2-CD1 4.13Å; A1065-L1197 HydrophobicContact CB-CB 4.43Å; A1065-L1197 HydrophobicContact CB-CD1 4.01Å; A1065-L1197 HydrophobicContact CB-CD2 4.31Å; A1065-L1197 HydrophobicContact CB-CG 4.48Å; F1067-L1197 HydrophobicContact CE2-CD2 4.01Å; F1067-L1197 HydrophobicContact CZ-CD2 3.95Å; L1104-L1197 HydrophobicContact CD1-CD2 4.45Å; T1193-L1197 VanDerWaalsContact O-CB 3.29Å; T1193-L1197 WeakPolarHBondContact O-CB 3.37Å; T1193-L1197 PolarHBondContact O-N 3.48Å; M1194-L1197 PolarHBondContact O-N 3.34Å
1198A93.1Very high94.1Very high2 Ų241 Ų412%0.01720%0.204CC..Hα-helixtrans-98-1.9-174.400000114.2T962 L1035 W1039 L1104 M1194 V1200T962-A1198 HydrophobicContact CG2-CB 3.99Å; L1035-A1198 HydrophobicContact CD1-CB 4.41Å; L1035-A1198 WeakPolarHBondContact CD1-O 3.47Å; L1035-A1198 HydrophobicContact CD2-CB 3.76Å; W1039-A1198 HydrophobicContact CH2-CB 3.92Å; W1039-A1198 HydrophobicContact CZ2-CB 4.41Å; L1104-A1198 HydrophobicContact CD1-CB 4.19Å; L1104-A1198 HydrophobicContact CD2-CB 3.66Å; M1194-A1198 PolarHBondContact O-N 3.27Å; A1198-V1200 HydrophobicContact CB-CG2 3.85Å; A1198-V1200 PolarHBondContact O-N 2.62Å
1199A94.1Very high94Very high38 Ų3841.1 Ų41.131%0.31421%0.206SC..THydrogen-bonded Turntrans53.137.7-17300000113.6W1195 Q1201 K1202 E1203W1195-A1199 WeakPolarHBondContact O-CA 3.38Å; W1195-A1199 PolarHBondContact O-N 2.65Å; A1199-Q1201 PolarHBondContact O-N 3.13Å; A1199-K1202 HydrophobicContact CB-CB 4.47Å; A1199-K1202 PolarHBondContact O-N 3.2Å; A1199-E1203 HydrophobicContact CB-CG 4.18Å; A1199-E1203 WeakPolarHBondContact O-CG 3.43Å; A1199-E1203 PolarHBondContact O-N 2.94Å
1200V94.9Very high93.4Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-49.8-52.5-169.1175.90000112.9L1104 A1106 W1195 A1198 K1202 E1203 T1204 I1206L1104-V1200 HydrophobicContact CD2-CG2 4.39Å; A1106-V1200 HydrophobicContact CB-CG1 3.51Å; A1106-V1200 HydrophobicContact CB-CG2 4.15Å; W1195-V1200 HydrophobicContact CD2-CB 3.84Å; W1195-V1200 HydrophobicContact CD2-CG1 4.06Å; W1195-V1200 HydrophobicContact CD2-CG2 4.19Å; W1195-V1200 HydrophobicContact CE3-CB 4.41Å; W1195-V1200 HydrophobicContact CE3-CG2 4.3Å; W1195-V1200 HydrophobicContact CG-CB 3.93Å; W1195-V1200 HydrophobicContact CG-CG2 4.44Å; W1195-V1200 HydrophobicContact CH2-CG1 4.29Å; W1195-V1200 HydrophobicContact CZ2-CB 4.46Å; W1195-V1200 HydrophobicContact CZ2-CG1 3.75Å; W1195-V1200 PolarHBondContact O-N 2.82Å; A1198-V1200 HydrophobicContact CB-CG2 3.85Å; A1198-V1200 PolarHBondContact O-N 2.62Å; V1200-K1202 VanDerWaalsContact C-N 3.33Å; V1200-K1202 PolarHBondContact O-N 3.12Å; V1200-E1203 PolarHBondContact O-N 2.94Å; V1200-T1204 WeakPolarHBondContact O-CB 3.3Å; V1200-T1204 PolarHBondContact O-N 3Å; V1200-T1204 PolarHBondContact O-OG1 3Å; V1200-I1206 HydrophobicContact CG1-CB 4.24Å
1201Q94.3Very high92.7Very high119 Ų11948 Ų4856%0.55624%0.239SC*.Hα-helixtrans-62.6-39.1-177.6-176.8174.73.600112.8A1199 G1205 I1206A1199-Q1201 PolarHBondContact O-N 3.13Å; Q1201-G1205 WeakPolarHBondContact O-CA 3.36Å; Q1201-G1205 PolarHBondContact O-N 2.87Å; Q1201-I1206 VanDerWaalsContact CA-O 3.26Å; Q1201-I1206 WeakPolarHBondContact CA-O 3.49Å; Q1201-I1206 WeakPolarHBondContact CB-O 3.41Å
1202K93.9Very high92.4Very high172 Ų17248.2 Ų48.275%0.74824%0.24SC*.Hα-helixtrans-68.4-42.5179.8-178.3-169.1167.4-147.70111.3A1199 V1200A1199-K1202 HydrophobicContact CB-CB 4.47Å; A1199-K1202 PolarHBondContact O-N 3.2Å; V1200-K1202 VanDerWaalsContact C-N 3.33Å; V1200-K1202 PolarHBondContact O-N 3.12Å
1203E93.6Very high92Very high74 Ų7444.7 Ų44.735%0.34622%0.222SC..Hα-helixtrans-86.1-31.2-172.1-60.6-57.4144.300113.3V964 L1035 A1199 V1200V964-E1203 HydrophobicContact CG1-CB 4.46Å; V964-E1203 HydrophobicContact CG2-CB 3.85Å; V964-E1203 HydrophobicContact CG2-CG 4.29Å; L1035-E1203 HydrophobicContact CD1-CB 4.1Å; L1035-E1203 HydrophobicContact CD1-CG 4.45Å; A1199-E1203 HydrophobicContact CB-CG 4.18Å; A1199-E1203 WeakPolarHBondContact O-CG 3.43Å; A1199-E1203 PolarHBondContact O-N 2.94Å; V1200-E1203 PolarHBondContact O-N 2.94Å
1204T93.1Very high91.9Very high2 Ų245.7 Ų45.71%0.01223%0.226CC..Hα-helixtrans-113.7-19.5-175.766.30000114R1033 L1035 F1110 V1200 I1206R1033-T1204 VanDerWaalsContact CD-O 3.26Å; R1033-T1204 WeakPolarHBondContact CD-O 3.4Å; L1035-T1204 HydrophobicContact CB-CG2 3.59Å; F1110-T1204 WeakPolarHBondContact CZ-O 3.48Å; V1200-T1204 WeakPolarHBondContact O-CB 3.3Å; V1200-T1204 PolarHBondContact O-N 3Å; V1200-T1204 PolarHBondContact O-OG1 3Å; T1204-I1206 VanDerWaalsContact C-N 3.26Å; T1204-I1206 WeakPolarHBondContact OG1-CG1 3.46Å; T1204-I1206 PolarHBondContact OG1-N 3.28Å
1205G92.9Very high91.6Very high38 Ų3848.1 Ų48.139%0.39224%0.241SC..  trans80.3-1.3-170.600000114.7Q1201 G1207Q1201-G1205 WeakPolarHBondContact O-CA 3.36Å; Q1201-G1205 PolarHBondContact O-N 2.87Å; G1205-G1207 PolarHBondContact O-N 3.11Å
1206I95.5Very high91.4Very high0 Ų048.8 Ų48.80%025%0.248CC..  trans-73.3112.7177.7-53.9168.2000109.1A1106 V1107 F1110 W1195 V1200 Q1201 T1204 M1214 T1215A1106-I1206 HydrophobicContact CB-CD1 4.26Å; V1107-I1206 VanDerWaalsContact C-CD1 3.44Å; F1110-I1206 HydrophobicContact CE2-CG1 4.16Å; F1110-I1206 HydrophobicContact CZ-CG1 3.9Å; W1195-I1206 HydrophobicContact CZ2-CB 4.4Å; W1195-I1206 HydrophobicContact CZ2-CG2 3.83Å; W1195-I1206 PolarHBondContact NE1-O 2.88Å; V1200-I1206 HydrophobicContact CG1-CB 4.24Å; Q1201-I1206 VanDerWaalsContact CA-O 3.26Å; Q1201-I1206 WeakPolarHBondContact CA-O 3.49Å; Q1201-I1206 WeakPolarHBondContact CB-O 3.41Å; T1204-I1206 VanDerWaalsContact C-N 3.26Å; T1204-I1206 WeakPolarHBondContact OG1-CG1 3.46Å; T1204-I1206 PolarHBondContact OG1-N 3.28Å; I1206-M1214 HydrophobicContact CG2-CB 4.21Å; I1206-M1214 HydrophobicContact CG2-CG 4.48Å; I1206-T1215 CarbonylContact C-O 3.54Å; I1206-T1215 VanDerWaalsContact CA-O 3.27Å; I1206-T1215 WeakPolarHBondContact CA-O 3.49Å
1207G93.5Very high91Very high4 Ų441.6 Ų41.64%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-90.9166.8-17900000113.3G1205 M1214 T1215G1205-G1207 PolarHBondContact O-N 3.11Å; G1207-M1214 WeakPolarHBondContact O-CA 3.39Å; G1207-T1215 WeakPolarHBondContact CA-OG1 3.43Å; G1207-T1215 PolarHBondContact N-O 2.9Å; G1207-T1215 PolarHBondContact O-N 3.04Å
1208L93Very high91Very high37 Ų3740.4 Ų40.419%0.19422%0.224CC..EExtended strand (participates in β ladder)trans-116.9139167.7-68.1174.3000109.9K1191 L1192 W1195 L1212 A1213 M1214K1191-L1208 HydrophobicContact CB-CD1 4.04Å; K1191-L1208 HydrophobicContact CB-CD2 4.31Å; K1191-L1208 HydrophobicContact CD-CD2 4.15Å; L1192-L1208 HydrophobicContact CD2-CD1 4.11Å; W1195-L1208 HydrophobicContact CB-CD1 4.24Å; W1195-L1208 HydrophobicContact CD2-CD1 3.57Å; W1195-L1208 HydrophobicContact CD2-CD2 4.29Å; W1195-L1208 HydrophobicContact CD2-CG 3.85Å; W1195-L1208 HydrophobicContact CE3-CD1 3.97Å; W1195-L1208 HydrophobicContact CE3-CD2 4.44Å; W1195-L1208 HydrophobicContact CE3-CG 4.41Å; W1195-L1208 HydrophobicContact CG-CD1 3.68Å; W1195-L1208 HydrophobicContact CG-CG 4.18Å; W1195-L1208 HydrophobicContact CH2-CD2 3.89Å; W1195-L1208 HydrophobicContact CH2-CG 4.44Å; W1195-L1208 HydrophobicContact CZ2-CD1 4.47Å; W1195-L1208 HydrophobicContact CZ2-CD2 3.7Å; W1195-L1208 HydrophobicContact CZ2-CG 3.89Å; W1195-L1208 HydrophobicContact CZ3-CD2 4.25Å; L1208-L1212 HydrophobicContact CD1-CD2 4.37Å; L1208-A1213 CarbonylContact C-O 3.58Å; L1208-A1213 VanDerWaalsContact CA-O 3.29Å; L1208-A1213 WeakPolarHBondContact CA-O 3.33Å; L1208-M1214 HydrophobicContact CD2-CG 3.87Å
1209T88.9Confident91Very high19 Ų1940.9 Ų40.912%0.11723%0.227CC..  trans-80.8176.1170.4680000111.5G786 V788 M813 S1211 L1212 A1213 T1215G786-T1209 WeakPolarHBondContact O-CB 3.5Å; G786-T1209 PolarHBondContact O-OG1 3.17Å; V788-T1209 HydrophobicContact CG1-CG2 3.64Å; M813-T1209 HydrophobicContact SD-CG2 3.81Å; T1209-S1211 PolarHBondContact O-N 2.74Å; T1209-S1211 PolarHBondContact OG1-OG 2.83Å; T1209-L1212 WeakPolarHBondContact O-CA 3.46Å; T1209-L1212 PolarHBondContact O-N 3.26Å; T1209-L1212 PolarHBondContact OG1-N 3.27Å; T1209-A1213 HydrophobicContact CG2-CB 4.21Å; T1209-A1213 PolarHBondContact N-O 2.95Å; T1209-A1213 WeakPolarHBondContact OG1-CB 3.45Å; T1209-A1213 PolarHBondContact OG1-N 3.4Å; T1209-T1215 HydrophobicContact CG2-CG2 3.95Å
1210E80.3Confident91.1Very high149 Ų14939.8 Ų39.870%0.69622%0.216SC*.THydrogen-bonded Turntrans-57.7-34175.5-64.9-177.7-177.200113.2K785 L1212K785-E1210 WeakPolarHBondContact CE-OE2 3.39Å; K785-E1210 IonicContact NZ-OE2 3.69Å; K785-E1210 PolarHBondContact NZ-OE2 3.39Å; E1210-L1212 VanDerWaalsContact C-N 3.3Å
1211S79.9Confident91.2Very high14 Ų1440 Ų4010%0.09822%0.218CC..THydrogen-bonded Turntrans-92.510.3175.264.60000113.1G786 I837 T1209 A1213G786-S1211 WeakPolarHBondContact CA-OG 3.45Å; G786-S1211 PolarHBondContact O-OG 2.91Å; I837-S1211 WeakPolarHBondContact CD1-OG 3.37Å; T1209-S1211 PolarHBondContact O-N 2.74Å; T1209-S1211 PolarHBondContact OG1-OG 2.83Å; S1211-A1213 VanDerWaalsContact C-N 3.31Å; S1211-A1213 PolarHBondContact O-N 3.47Å
1212L89.8Confident91.3Very high11 Ų1134.3 Ų34.36%0.05819%0.191CC..  trans65.229.3177.8-45.5175.9000113.9H1188 T1189 K1191 L1192 L1208 T1209 E1210 W1260H1188-L1212 HydrophobicContact CB-CB 4.45Å; H1188-L1212 HydrophobicContact CB-CD1 4.25Å; H1188-L1212 WeakPolarHBondContact O-CD1 3.5Å; T1189-L1212 HydrophobicContact CG2-CD1 3.83Å; K1191-L1212 WeakPolarHBondContact CE-O 3.28Å; L1192-L1212 HydrophobicContact CD1-CD1 4.34Å; L1192-L1212 HydrophobicContact CD1-CD2 4.21Å; L1192-L1212 HydrophobicContact CD2-CD2 3.57Å; L1192-L1212 HydrophobicContact CG-CD1 4.23Å; L1192-L1212 HydrophobicContact CG-CD2 3.83Å; L1208-L1212 HydrophobicContact CD1-CD2 4.37Å; T1209-L1212 WeakPolarHBondContact O-CA 3.46Å; T1209-L1212 PolarHBondContact O-N 3.26Å; T1209-L1212 PolarHBondContact OG1-N 3.27Å; E1210-L1212 VanDerWaalsContact C-N 3.3Å; L1212-W1260 HydrophobicContact CD1-CH2 3.78Å; L1212-W1260 HydrophobicContact CD1-CZ2 4.37Å; L1212-W1260 HydrophobicContact CD1-CZ3 3.94Å; L1212-W1260 HydrophobicContact CG-CH2 3.84Å; L1212-W1260 HydrophobicContact CG-CZ3 4.21Å
1213A86.9Confident91.5Very high4 Ų426.7 Ų26.73%0.03316%0.159CC..  trans-71.8153.1160.400000109.8V788 I837 L1208 T1209 S1211V788-A1213 HydrophobicContact CG2-CB 3.99Å; I837-A1213 HydrophobicContact CD1-CB 4.04Å; L1208-A1213 CarbonylContact C-O 3.58Å; L1208-A1213 VanDerWaalsContact CA-O 3.29Å; L1208-A1213 WeakPolarHBondContact CA-O 3.33Å; T1209-A1213 HydrophobicContact CG2-CB 4.21Å; T1209-A1213 PolarHBondContact N-O 2.95Å; T1209-A1213 WeakPolarHBondContact OG1-CB 3.45Å; T1209-A1213 PolarHBondContact OG1-N 3.4Å; S1211-A1213 VanDerWaalsContact C-N 3.31Å; S1211-A1213 PolarHBondContact O-N 3.47Å
1214M92.8Very high91.6Very high34 Ų3423.1 Ų23.117%0.16714%0.142CC..EExtended strand (participates in β ladder)trans-92.7144.8-179.4-68.1177.5-73.100111.6W1195 I1206 G1207 L1208 P1216 S1219 S1221W1195-M1214 HydrophobicContact CH2-CG 3.81Å; W1195-M1214 HydrophobicContact CH2-SD 3.61Å; W1195-M1214 HydrophobicContact CZ2-CG 4.1Å; W1195-M1214 HydrophobicContact CZ2-SD 4.32Å; I1206-M1214 HydrophobicContact CG2-CB 4.21Å; I1206-M1214 HydrophobicContact CG2-CG 4.48Å; G1207-M1214 WeakPolarHBondContact O-CA 3.39Å; L1208-M1214 HydrophobicContact CD2-CG 3.87Å; M1214-P1216 CarbonylContact C-O 3.53Å; M1214-P1216 CarbonylContact O-C 3.6Å; M1214-S1219 WeakPolarHBondContact CE-O 3.43Å; M1214-S1221 PolarHBondContact SD-OG 3.22Å
1215T88.5Confident91.8Very high52 Ų5223.2 Ų23.232%0.31914%0.142SC..EExtended strand (participates in β ladder)trans-123.8126.5172.853.10000110.2V788 I1206 G1207 T1209V788-T1215 HydrophobicContact CG1-CG2 3.99Å; I1206-T1215 CarbonylContact C-O 3.54Å; I1206-T1215 VanDerWaalsContact CA-O 3.27Å; I1206-T1215 WeakPolarHBondContact CA-O 3.49Å; G1207-T1215 WeakPolarHBondContact CA-OG1 3.43Å; G1207-T1215 PolarHBondContact N-O 2.9Å; G1207-T1215 PolarHBondContact O-N 3.04Å; T1209-T1215 HydrophobicContact CG2-CG2 3.95Å
1216P91.9Very high91.8Very high34 Ų3421.8 Ų21.822%0.22113%0.126CC..SBendcis-66.4159.21.930.2-36.1000112.9V1109 F1110 M1214 A1218 S1219V1109-P1216 WeakPolarHBondContact O-CG 3.39Å; F1110-P1216 HydrophobicContact CD1-CG 4.01Å; F1110-P1216 HydrophobicContact CD2-CG 4.24Å; F1110-P1216 VanDerWaalsContact CE1-CD 3.46Å; F1110-P1216 HydrophobicContact CE1-CG 3.99Å; F1110-P1216 HydrophobicContact CE2-CG 4.17Å; F1110-P1216 HydrophobicContact CG-CG 4.15Å; F1110-P1216 HydrophobicContact CZ-CG 4.06Å; M1214-P1216 CarbonylContact C-O 3.53Å; M1214-P1216 CarbonylContact O-C 3.6Å; P1216-A1218 PolarHBondContact O-N 3.47Å; P1216-S1219 WeakPolarHBondContact O-CB 3.07Å; P1216-S1219 PolarHBondContact O-OG 2.95Å
1217A86.1Confident91.7Very high38 Ų3823 Ų2331%0.31413%0.132SC..SBendtrans-58.2-36.9-177.900000112.7V788 S1219V788-A1217 HydrophobicContact CG2-CB 4.21Å; A1217-S1219 PolarHBondContact O-N 3.24Å
1218A93.1Very high91.6Very high7 Ų725.7 Ų25.76%0.05815%0.149CC..SBendtrans-73.467.6172.300000111.4G1108 V1109 A1135 D1136 A1139 P1216G1108-A1218 WeakPolarHBondContact CA-O 3.27Å; V1109-A1218 HydrophobicContact CB-CB 4.3Å; V1109-A1218 PolarHBondContact N-O 2.84Å; A1135-A1218 HydrophobicContact CB-CB 3.82Å; D1136-A1218 WeakPolarHBondContact OD1-CA 3.29Å; D1136-A1218 WeakPolarHBondContact OD1-CB 3.43Å; A1139-A1218 HydrophobicContact CB-CB 4.18Å; A1139-A1218 WeakPolarHBondContact CB-O 3.41Å; P1216-A1218 PolarHBondContact O-N 3.47Å
1219S94.9Very high91.5Very high13 Ų1329.2 Ų29.29%0.09116%0.164CC..EExtended strand (participates in β ladder)trans-137.2146.3179.2-61.40000111.9V1107 M1214 P1216 A1217V1107-S1219 CarbonylContact O-C 3.57Å; V1107-S1219 WeakPolarHBondContact O-CA 3.45Å; V1107-S1219 WeakPolarHBondContact O-CB 3.38Å; M1214-S1219 WeakPolarHBondContact CE-O 3.43Å; P1216-S1219 WeakPolarHBondContact O-CB 3.07Å; P1216-S1219 PolarHBondContact O-OG 2.95Å; A1217-S1219 PolarHBondContact O-N 3.24Å
1220V96.1Very high91.6Very high14 Ų1428.8 Ų28.89%0.08516%0.163CC..EExtended strand (participates in β ladder)trans-133.5134.4177.1-172.70000109F1105 A1106 V1107 A1139 E1140 A1143F1105-V1220 HydrophobicContact CE2-CB 4.31Å; F1105-V1220 HydrophobicContact CE2-CG1 3.85Å; F1105-V1220 HydrophobicContact CZ-CG1 4Å; A1106-V1220 CarbonylContact C-O 3.36Å; A1106-V1220 WeakPolarHBondContact CA-O 3.45Å; V1107-V1220 HydrophobicContact CG2-CB 3.91Å; V1107-V1220 WeakPolarHBondContact CG2-O 3.36Å; V1107-V1220 PolarHBondContact N-O 3.17Å; V1107-V1220 PolarHBondContact O-N 2.92Å; A1139-V1220 HydrophobicContact CB-CG2 4.31Å; E1140-V1220 HydrophobicContact CG-CG2 4.37Å; A1143-V1220 HydrophobicContact CB-CB 3.98Å; A1143-V1220 HydrophobicContact CB-CG1 3.79Å; A1143-V1220 HydrophobicContact CB-CG2 4.38Å
1221S96.9Very high92.2Very high4 Ų424.2 Ų24.23%0.02815%0.147CC..EExtended strand (participates in β ladder)trans-141.5150.8174.464.10000111F1105 A1179 M1214F1105-S1221 VanDerWaalsContact O-CA 3.24Å; F1105-S1221 WeakPolarHBondContact O-CA 3.28Å; F1105-S1221 WeakPolarHBondContact O-CB 3.36Å; A1179-S1221 WeakPolarHBondContact CB-O 3.37Å; M1214-S1221 PolarHBondContact SD-OG 3.22Å
1222G96.3Very high92.8Very high0 Ų027.6 Ų27.60%016%0.158CC..EExtended strand (participates in β ladder)trans-173.8-177.7177.400000113.2L1104 F1105 P1178 M1194L1104-G1222 WeakPolarHBondContact CA-O 3.46Å; F1105-G1222 VanDerWaalsContact CD1-O 3.3Å; F1105-G1222 WeakPolarHBondContact CD1-O 3.31Å; F1105-G1222 VanDerWaalsContact CE1-CA 3.46Å; F1105-G1222 VanDerWaalsContact CE1-N 3.31Å; F1105-G1222 PolarHBondContact N-O 3.01Å; F1105-G1222 PolarHBondContact O-N 3Å; F1105-G1222 VanDerWaalsContact O-N 3.07Å; P1178-G1222 WeakPolarHBondContact O-CA 3.02Å; M1194-G1222 WeakPolarHBondContact CE-O 3.36Å
1223L96.8Very high92.9Very high12 Ų1227.8 Ų27.86%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-103.1149.7175.7-61.9176000109.6F1067 I1102 G1103 L1104 R1177 P1178 M1194 F1225F1067-L1223 HydrophobicContact CB-CD1 4.42Å; F1067-L1223 HydrophobicContact CD1-CD1 4.06Å; F1067-L1223 HydrophobicContact CD1-CD2 4.48Å; F1067-L1223 HydrophobicContact CD2-CD1 4.24Å; F1067-L1223 HydrophobicContact CD2-CD2 4.36Å; F1067-L1223 HydrophobicContact CE1-CD1 4.41Å; F1067-L1223 HydrophobicContact CE1-CD2 4.02Å; F1067-L1223 HydrophobicContact CE2-CD2 3.86Å; F1067-L1223 HydrophobicContact CG-CD1 3.99Å; F1067-L1223 HydrophobicContact CZ-CD2 3.69Å; I1102-L1223 HydrophobicContact CD1-CB 4.33Å; I1102-L1223 HydrophobicContact CD1-CD1 4.07Å; I1102-L1223 HydrophobicContact CD1-CD2 4.38Å; I1102-L1223 HydrophobicContact CD1-CG 4.49Å; G1103-L1223 CarbonylContact O-C 3.5Å; G1103-L1223 VanDerWaalsContact O-CA 3.26Å; G1103-L1223 WeakPolarHBondContact O-CA 3.33Å; L1104-L1223 HydrophobicContact CB-CD2 4.18Å; L1104-L1223 HydrophobicContact CD1-CD2 4.35Å; L1104-L1223 HydrophobicContact CG-CD2 4.35Å; R1177-L1223 CarbonylContact C-O 3.47Å; R1177-L1223 VanDerWaalsContact C-O 3.27Å; R1177-L1223 WeakPolarHBondContact CA-O 3.44Å; P1178-L1223 VanDerWaalsContact CD-O 3.31Å; P1178-L1223 WeakPolarHBondContact CD-O 3.2Å; P1178-L1223 PolarHBondContact O-N 3.42Å; M1194-L1223 HydrophobicContact CG-CD2 4.24Å; L1223-F1225 HydrophobicContact CB-CD2 4.48Å; L1223-F1225 HydrophobicContact CB-CE2 3.79Å
1224Y97.4Very high93.2Very high0 Ų030.1 Ų30.10%018%0.178CC..EExtended strand (participates in β ladder)trans-108.1133.6174.2-67.7-57.1000111V1036 I1102 G1103 F1105 H1147 V1150 W1155 R1177V1036-Y1224 HydrophobicContact CG2-CE2 4.08Å; I1102-Y1224 WeakPolarHBondContact CG1-O 3.23Å; G1103-Y1224 PolarHBondContact N-O 3.49Å; G1103-Y1224 VanDerWaalsContact N-O 3.08Å; G1103-Y1224 PolarHBondContact O-N 3.46Å; F1105-Y1224 HydrophobicContact CB-CE2 3.66Å; F1105-Y1224 HydrophobicContact CD1-CD1 4.36Å; F1105-Y1224 HydrophobicContact CD1-CD2 4.24Å; F1105-Y1224 AromaticContact CD1-CE1 3.72Å; F1105-Y1224 HydrophobicContact CD1-CE1 3.72Å; F1105-Y1224 AromaticContact CD1-CE2 3.63Å; F1105-Y1224 HydrophobicContact CD1-CE2 3.63Å; F1105-Y1224 AromaticContact CD1-CZ 3.32Å; F1105-Y1224 WeakPolarHBondContact CD1-OH 3.13Å; F1105-Y1224 AromaticContact CE1-CE1 3.95Å; F1105-Y1224 HydrophobicContact CE1-CE1 3.95Å; F1105-Y1224 AromaticContact CE1-CZ 3.97Å; F1105-Y1224 HydrophobicContact CG-CE1 4.46Å; F1105-Y1224 AromaticContact CG-CE2 3.89Å; F1105-Y1224 HydrophobicContact CG-CE2 3.89Å; F1105-Y1224 AromaticContact CG-CZ 3.66Å; F1105-Y1224 WeakPolarHBondContact CG-OH 3.4Å; H1147-Y1224 HydrophobicContact CB-CE1 3.81Å; H1147-Y1224 AromaticContact CD2-CD1 3.42Å; H1147-Y1224 VanDerWaalsContact CD2-CD1 3.42Å; H1147-Y1224 WeakPolarHBondContact CD2-CD1 3.02Å; H1147-Y1224 AromaticContact CD2-CE1 3.17Å; H1147-Y1224 WeakPolarHBondContact CD2-CE1 3.33Å; H1147-Y1224 AromaticContact CG-CE1 3.51Å; H1147-Y1224 AromaticContact NE2-CD1 3.68Å; H1147-Y1224 AromaticContact NE2-CE1 3.86Å; V1150-Y1224 HydrophobicContact CB-CE2 4.35Å; V1150-Y1224 HydrophobicContact CG1-CD2 4.07Å; V1150-Y1224 HydrophobicContact CG1-CE2 4.27Å; V1150-Y1224 HydrophobicContact CG1-CG 4.32Å; V1150-Y1224 HydrophobicContact CG2-CD2 4.22Å; V1150-Y1224 HydrophobicContact CG2-CE2 3.65Å; W1155-Y1224 WeakPolarHBondContact CZ3-O 3.5Å; R1177-Y1224 HydrophobicContact CB-CD1 3.57Å; R1177-Y1224 HydrophobicContact CB-CE1 3.58Å; R1177-Y1224 HydrophobicContact CG-CE1 4.45Å
1225F96.1Very high93.1Very high4 Ų428.6 Ų28.62%0.01817%0.171CC..BIsolated β-bridgetrans-120.9131.9173.7-65.8-102.6000108.9I1048 V1087 F1090 V1091 I1102 G1175 I1176 P1178 L1223 A1230I1048-F1225 HydrophobicContact CD1-CE1 3.54Å; I1048-F1225 HydrophobicContact CD1-CZ 3.6Å; V1087-F1225 HydrophobicContact CB-CZ 4.28Å; V1087-F1225 VanDerWaalsContact O-CE1 3.29Å; V1087-F1225 WeakPolarHBondContact O-CE1 3.47Å; F1090-F1225 HydrophobicContact CB-CD1 3.91Å; V1091-F1225 HydrophobicContact CG2-CD1 3.8Å; V1091-F1225 HydrophobicContact CG2-CE1 3.64Å; I1102-F1225 HydrophobicContact CD1-CE1 4.29Å; I1102-F1225 HydrophobicContact CD1-CE2 4.39Å; I1102-F1225 HydrophobicContact CD1-CZ 3.95Å; G1175-F1225 CarbonylContact C-O 3.15Å; G1175-F1225 WeakPolarHBondContact CA-O 3.49Å; I1176-F1225 HydrophobicContact CG1-CB 3.87Å; I1176-F1225 HydrophobicContact CG1-CD2 4.25Å; I1176-F1225 HydrophobicContact CG1-CG 4.34Å; I1176-F1225 PolarHBondContact N-O 3.43Å; I1176-F1225 PolarHBondContact O-N 2.72Å; P1178-F1225 HydrophobicContact CG-CD2 3.63Å; P1178-F1225 HydrophobicContact CG-CE2 3.39Å; P1178-F1225 HydrophobicContact CG-CZ 4.47Å; L1223-F1225 HydrophobicContact CB-CD2 4.48Å; L1223-F1225 HydrophobicContact CB-CE2 3.79Å; F1225-A1230 HydrophobicContact CB-CB 4.18Å
1226S94.2Very high93.1Very high8 Ų828 Ų286%0.05617%0.174CC..  trans-97-16.4-175.266.50000114.1W1155 Y1157 Q1174W1155-S1226 WeakPolarHBondContact CZ2-OG 3.38Å; Y1157-S1226 VanDerWaalsContact CE1-CB 3.43Å; Q1174-S1226 PolarHBondContact NE2-O 2.93Å
1227H92.8Very high93Very high24 Ų2429 Ų2911%0.11118%0.175CC..  trans-61133.7-172.9-165.5-83.3000111.5W948 F1090 Q1229 A1230W948-H1227 AromaticContact CH2-CD2 3.88Å; W948-H1227 AromaticContact CZ3-CD2 3.66Å; F1090-H1227 HydrophobicContact CB-CB 4.42Å; H1227-Q1229 VanDerWaalsContact C-N 3.26Å; H1227-Q1229 PolarHBondContact ND1-N 3Å; H1227-Q1229 VanDerWaalsContact ND1-N 3.18Å; H1227-Q1229 PolarHBondContact O-N 3.39Å; H1227-A1230 HydrophobicContact CB-CB 4.4Å; H1227-A1230 WeakPolarHBondContact O-CB 3.35Å; H1227-A1230 PolarHBondContact O-N 3.48Å
1228P90.5Very high93.2Very high62 Ų6227.2 Ų27.240%0.40316%0.16SC..THydrogen-bonded Turntrans-59.4-31.8-176.5-23.630.2000115.4P952 Q1174 A1230P952-P1228 HydrophobicContact CG-CG 3.93Å; Q1174-P1228 HydrophobicContact CG-CB 4.43Å; Q1174-P1228 HydrophobicContact CG-CG 4.47Å; P1228-A1230 VanDerWaalsContact C-N 3.3Å
1229Q90.5Very high93.2Very high111 Ų11128.2 Ų28.252%0.51917%0.166SC..THydrogen-bonded Turntrans-86.31.1177.9-66177-79.800113.6F1090 H1227 S1231F1090-Q1229 VanDerWaalsContact CE1-O 3.27Å; F1090-Q1229 WeakPolarHBondContact CE1-O 3.15Å; H1227-Q1229 VanDerWaalsContact C-N 3.26Å; H1227-Q1229 PolarHBondContact ND1-N 3Å; H1227-Q1229 VanDerWaalsContact ND1-N 3.18Å; H1227-Q1229 PolarHBondContact O-N 3.39Å; Q1229-S1231 PolarHBondContact O-N 3.07Å
1230A92.1Very high93Very high10 Ų1031.4 Ų31.48%0.08318%0.178CC..  trans-65.1126.6175.100000109.9F1090 I1176 F1225 H1227 P1228F1090-A1230 HydrophobicContact CB-CB 4.05Å; F1090-A1230 HydrophobicContact CD1-CB 4.04Å; F1090-A1230 HydrophobicContact CD2-CB 3.91Å; F1090-A1230 HydrophobicContact CE1-CB 4.47Å; F1090-A1230 HydrophobicContact CE2-CB 4.34Å; F1090-A1230 HydrophobicContact CG-CB 3.73Å; I1176-A1230 HydrophobicContact CD1-CB 3.99Å; I1176-A1230 HydrophobicContact CG1-CB 3.78Å; I1176-A1230 WeakPolarHBondContact CG2-O 3.16Å; F1225-A1230 HydrophobicContact CB-CB 4.18Å; H1227-A1230 HydrophobicContact CB-CB 4.4Å; H1227-A1230 WeakPolarHBondContact O-CB 3.35Å; H1227-A1230 PolarHBondContact O-N 3.48Å; P1228-A1230 VanDerWaalsContact C-N 3.3Å
1231S91.9Very high92.9Very high53 Ų5334.9 Ų34.937%0.37119%0.193SC..  trans-139.4153.9-176.854.70000110.9Q1229 F1233Q1229-S1231 PolarHBondContact O-N 3.07Å; S1231-F1233 PolarHBondContact O-N 3.26Å
1232Y92.9Very high92.8Very high84 Ų8434.7 Ų34.733%0.32919%0.192SC..  trans-75.3117.7171.1-72.7-80.4000109.5V1171 I1176 R1177 P1178V1171-Y1232 HydrophobicContact CG1-CD2 4.36Å; V1171-Y1232 HydrophobicContact CG1-CE2 4.17Å; I1176-Y1232 HydrophobicContact CB-CD2 4.36Å; I1176-Y1232 HydrophobicContact CB-CE2 3.93Å; I1176-Y1232 HydrophobicContact CG2-CD2 3.9Å; I1176-Y1232 HydrophobicContact CG2-CE2 3.82Å; R1177-Y1232 VanDerWaalsContact C-OH 3.22Å; R1177-Y1232 WeakPolarHBondContact CA-OH 3.47Å; R1177-Y1232 WeakPolarHBondContact CG-OH 3.45Å; R1177-Y1232 PolarHBondContact N-OH 2.88Å; R1177-Y1232 PolarHBondContact O-OH 3.22Å; P1178-Y1232 HydrophobicContact CB-CE1 4.31Å
1233F93.1Very high92.7Very high16 Ų1634.7 Ų34.77%0.0719%0.192CC..  trans-123.8157.6175.266.8-85.4000110.2Q1072 L1085 V1087 F1090 S1184 S1231 V1235Q1072-F1233 HydrophobicContact CG-CD2 4.13Å; Q1072-F1233 HydrophobicContact CG-CE2 4.42Å; L1085-F1233 HydrophobicContact CB-CD1 4.01Å; L1085-F1233 HydrophobicContact CB-CD2 3.82Å; L1085-F1233 HydrophobicContact CB-CE1 4.17Å; L1085-F1233 HydrophobicContact CB-CE2 3.98Å; L1085-F1233 HydrophobicContact CB-CG 3.85Å; L1085-F1233 HydrophobicContact CB-CZ 4.17Å; L1085-F1233 HydrophobicContact CD1-CB 3.76Å; L1085-F1233 HydrophobicContact CD1-CD1 4.16Å; L1085-F1233 HydrophobicContact CD1-CG 3.93Å; L1085-F1233 WeakPolarHBondContact O-CE2 3.5Å; V1087-F1233 HydrophobicContact CG1-CE1 3.95Å; V1087-F1233 HydrophobicContact CG1-CZ 3.86Å; F1090-F1233 HydrophobicContact CE2-CD1 4.19Å; F1090-F1233 AromaticContact CE2-CE1 3.91Å; F1090-F1233 HydrophobicContact CE2-CE1 3.91Å; F1090-F1233 HydrophobicContact CZ-CD1 4.43Å; F1090-F1233 HydrophobicContact CZ-CE1 4.45Å; S1184-F1233 WeakPolarHBondContact CA-O 3.44Å; S1184-F1233 WeakPolarHBondContact CB-O 3.45Å; S1184-F1233 PolarHBondContact N-O 3.26Å; S1184-F1233 PolarHBondContact OG-N 3.21Å; S1184-F1233 PolarHBondContact OG-O 2.83Å; S1231-F1233 PolarHBondContact O-N 3.26Å; F1233-V1235 HydrophobicContact CE2-CG2 4.07Å
1234A92.1Very high92.5Very high52 Ų5237.7 Ų37.743%0.4321%0.206SC..  trans-94.6130.2169.800000109.4Q1072 P1183 G1236Q1072-A1234 PolarHBondContact NE2-O 2.93Å; P1183-A1234 HydrophobicContact CB-CB 3.81Å; A1234-G1236 PolarHBondContact O-N 3.34Å
1235V91.3Very high92.4Very high3 Ų339.5 Ų39.52%0.01822%0.215CC..  trans-58.5-32.5174.1172.30000110.9L1070 P1183 P1186 F1233 I1238 I1264L1070-V1235 HydrophobicContact CB-CG1 3.72Å; L1070-V1235 HydrophobicContact CB-CG2 4.06Å; P1183-V1235 WeakPolarHBondContact O-CG2 3.43Å; P1183-V1235 PolarHBondContact O-N 2.98Å; P1186-V1235 HydrophobicContact CG-CB 4.46Å; P1186-V1235 HydrophobicContact CG-CG2 4.34Å; F1233-V1235 HydrophobicContact CE2-CG2 4.07Å; V1235-I1238 HydrophobicContact CG1-CG2 3.71Å; V1235-I1264 HydrophobicContact CG1-CD1 4.47Å
1236G89.1Confident92.4Very high38 Ų3839.3 Ų39.339%0.39222%0.215SC..  trans74-156.1-177.700000111.7A1234 I1264A1234-G1236 PolarHBondContact O-N 3.34Å; G1236-I1264 WeakPolarHBondContact O-CB 3.38Å
1237K88.3Confident92.3Very high56 Ų5639 Ų3924%0.24321%0.213CC..  trans-82.5138.6178.4-65.4-59.7-161.1161.40111Y933 P1263 I1264 L1265Y933-K1237 HydrophobicContact CE1-CB 3.75Å; Y933-K1237 WeakPolarHBondContact OH-CB 3.49Å; K1237-P1263 PolarHBondContact NZ-O 3.41Å; K1237-I1264 CarbonylContact C-O 3.54Å; K1237-I1264 WeakPolarHBondContact CA-O 3.29Å; K1237-I1264 WeakPolarHBondContact CD-O 3.25Å; K1237-L1265 WeakPolarHBondContact CD-O 3.48Å; K1237-L1265 PolarHBondContact NZ-O 3.49Å; K1237-L1265 VanDerWaalsContact NZ-O 3.1Å
1238I90.7Very high92.3Very high0 Ų045.8 Ų45.80%024%0.242CC..BIsolated β-bridgetrans-113.8147.5-178.463.5173.2000112L1070 V1235 Q1242 V1243 L1261 I1264 L1265 G1266L1070-I1238 HydrophobicContact CD2-CD1 4.23Å; V1235-I1238 HydrophobicContact CG1-CG2 3.71Å; I1238-Q1242 VanDerWaalsContact CG2-NE2 3.34Å; I1238-V1243 HydrophobicContact CD1-CG2 3.59Å; I1238-V1243 HydrophobicContact CG1-CG2 4.01Å; I1238-L1261 HydrophobicContact CD1-CD1 3.86Å; I1238-I1264 HydrophobicContact CD1-CD1 3.73Å; I1238-I1264 HydrophobicContact CD1-CG1 4.17Å; I1238-I1264 HydrophobicContact CG1-CD1 4.09Å; I1238-I1264 HydrophobicContact CG1-CG1 4.24Å; I1238-I1264 HydrophobicContact CG2-CD1 4.26Å; I1238-I1264 PolarHBondContact N-O 3.26Å; I1238-L1265 HydrophobicContact CG1-CD2 4.41Å; I1238-G1266 PolarHBondContact O-N 3.44Å
1239T92.4Very high92.5Very high28 Ų2845.4 Ų45.417%0.17223%0.232CC..  trans-84.6162.2179.371.30000111.6Y933 Q1073 E1241 Q1242 V1243Y933-T1239 HydrophobicContact CD1-CG2 4.36Å; Y933-T1239 HydrophobicContact CG-CG2 3.94Å; Q1073-T1239 PolarHBondContact NE2-OG1 2.94Å; Q1073-T1239 PolarHBondContact OE1-OG1 3.44Å; T1239-E1241 PolarHBondContact O-N 3.44Å; T1239-Q1242 PolarHBondContact O-N 3.11Å; T1239-Q1242 VanDerWaalsContact O-N 3.09Å; T1239-V1243 PolarHBondContact O-N 2.93Å
1240K91.6Very high92.5Very high81 Ų8142.3 Ų42.335%0.35222%0.217SC..Hα-helixtrans-56.7-36.2177.1-170171.1-177.5173.30112.5Q1242 V1243 E1244 Y1267 E1270K1240-Q1242 VanDerWaalsContact C-N 3.32Å; K1240-Q1242 PolarHBondContact O-N 2.96Å; K1240-V1243 PolarHBondContact O-N 3.2Å; K1240-E1244 WeakPolarHBondContact O-CG 3.43Å; K1240-E1244 PolarHBondContact O-N 3.32Å; K1240-Y1267 HydrophobicContact CB-CD1 4.02Å; K1240-Y1267 HydrophobicContact CB-CD2 4.27Å; K1240-Y1267 HydrophobicContact CB-CE1 3.73Å; K1240-Y1267 HydrophobicContact CB-CE2 4Å; K1240-Y1267 HydrophobicContact CB-CG 4.28Å; K1240-Y1267 HydrophobicContact CD-CD2 4.45Å; K1240-Y1267 HydrophobicContact CD-CE2 4.09Å; K1240-Y1267 HydrophobicContact CG-CE1 4.39Å; K1240-Y1267 HydrophobicContact CG-CE2 3.98Å; K1240-Y1267 VanDerWaalsContact N-CE1 3.28Å; K1240-E1270 IonicContact NZ-OE2 3.82Å
1241E93.6Very high92.5Very high87 Ų8745.1 Ų45.141%0.40725%0.248SC..Hα-helixtrans-55.2-45.9175-175-168.5-178.800111.9L936 T1239 E1244 D1245L936-E1241 HydrophobicContact CB-CG 4.22Å; L936-E1241 PolarHBondContact N-OE2 3.26Å; T1239-E1241 PolarHBondContact O-N 3.44Å; E1241-E1244 PolarHBondContact O-N 2.9Å; E1241-D1245 WeakPolarHBondContact O-CB 3.28Å; E1241-D1245 PolarHBondContact O-N 3.1Å
1242Q95Very high92.4Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-71.9-34179.7179.1167-154.600112.7L936 L1070 R1071 Q1073 I1238 T1239 K1240 D1245 Y1246L936-Q1242 HydrophobicContact CD1-CB 4.28Å; L936-Q1242 HydrophobicContact CD1-CG 4.17Å; L936-Q1242 HydrophobicContact CD2-CB 4.08Å; L936-Q1242 HydrophobicContact CD2-CG 4.28Å; L1070-Q1242 HydrophobicContact CD2-CG 4.32Å; R1071-Q1242 PolarHBondContact O-NE2 3.44Å; R1071-Q1242 PolarHBondContact O-OE1 3.27Å; Q1073-Q1242 VanDerWaalsContact OE1-CB 3.24Å; I1238-Q1242 VanDerWaalsContact CG2-NE2 3.34Å; T1239-Q1242 PolarHBondContact O-N 3.11Å; T1239-Q1242 VanDerWaalsContact O-N 3.09Å; K1240-Q1242 VanDerWaalsContact C-N 3.32Å; K1240-Q1242 PolarHBondContact O-N 2.96Å; Q1242-D1245 PolarHBondContact O-N 3.48Å; Q1242-Y1246 WeakPolarHBondContact O-CB 3.31Å; Q1242-Y1246 PolarHBondContact O-N 2.86Å
1243V94.1Very high92.3Very high0 Ų043.7 Ų43.70%025%0.248CC..Hα-helixtrans-63.7-43.8174.7175.70000111.1I1238 T1239 K1240 Y1246 G1247 T1254 V1257 E1258 L1265 Y1267I1238-V1243 HydrophobicContact CD1-CG2 3.59Å; I1238-V1243 HydrophobicContact CG1-CG2 4.01Å; T1239-V1243 PolarHBondContact O-N 2.93Å; K1240-V1243 PolarHBondContact O-N 3.2Å; V1243-Y1246 PolarHBondContact O-N 2.7Å; V1243-G1247 PolarHBondContact O-N 3.15Å; V1243-T1254 HydrophobicContact CG1-CG2 3.88Å; V1243-V1257 HydrophobicContact CG1-CB 4.1Å; V1243-V1257 HydrophobicContact CG1-CG1 3.79Å; V1243-E1258 HydrophobicContact CG1-CG 3.62Å; V1243-L1265 HydrophobicContact CG2-CD2 3.72Å; V1243-Y1267 HydrophobicContact CG2-CE1 3.99Å
1244E93.5Very high92.1Very high74 Ų7445.2 Ų45.235%0.34626%0.259SS..Hα-helixtrans-66.5-40.8176.9-70.2176.8-175.800112.5K1240 E1241 K1248 T1254K1240-E1244 WeakPolarHBondContact O-CG 3.43Å; K1240-E1244 PolarHBondContact O-N 3.32Å; E1241-E1244 PolarHBondContact O-N 2.9Å; E1244-K1248 WeakPolarHBondContact O-CG 3.38Å; E1244-K1248 PolarHBondContact O-N 2.84Å; E1244-K1248 VanDerWaalsContact O-N 3.1Å; E1244-T1254 HydrophobicContact CG-CG2 4.03Å
1245D95.2Very high91.8Very high38 Ų3850 Ų5020%0.20327%0.272CS..Hα-helixtrans-61.5-46.1173175.698.9000111.3L936 R940 E1241 Q1242 K1248 R1249L936-D1245 HydrophobicContact CD2-CB 3.79Å; R940-D1245 IonicContact CZ-OD1 2.87Å; R940-D1245 IonicContact CZ-OD2 2.77Å; R940-D1245 IonicContact NH1-OD1 2.99Å; R940-D1245 PolarHBondContact NH1-OD1 3.31Å; R940-D1245 VanDerWaalsContact NH1-OD1 3.1Å; R940-D1245 VanDerWaalsContact NH2-CG 3.31Å; R940-D1245 IonicContact NH2-OD1 3.84Å; R940-D1245 PolarHBondContact NH2-OD1 3.45Å; R940-D1245 IonicContact NH2-OD2 3.84Å; R940-D1245 PolarHBondContact NH2-OD2 3.38Å; E1241-D1245 WeakPolarHBondContact O-CB 3.28Å; E1241-D1245 PolarHBondContact O-N 3.1Å; Q1242-D1245 PolarHBondContact O-N 3.48Å; D1245-K1248 PolarHBondContact O-N 3.48Å; D1245-R1249 WeakPolarHBondContact O-CG 3.47Å; D1245-R1249 PolarHBondContact O-N 3.42Å; D1245-R1249 IonicContact OD2-CZ 3.91Å; D1245-R1249 IonicContact OD2-NE 3.11Å; D1245-R1249 PolarHBondContact OD2-NE 3.03Å; D1245-R1249 IonicContact OD2-NH2 3.41Å; D1245-R1249 PolarHBondContact OD2-NH2 3.01Å
1246Y94.8Very high91.6Very high1 Ų154.1 Ų54.10%0.00429%0.291CS..Hα-helixtrans-63.6-42.4178.5-168.6-97.1000112.1H1068 L1070 D1187 Q1242 V1243 K1248 R1249 K1250 V1257 L1261H1068-Y1246 HydrophobicContact CB-CD2 4.4Å; H1068-Y1246 HydrophobicContact CB-CE2 3.51Å; L1070-Y1246 HydrophobicContact CD2-CD2 3.47Å; L1070-Y1246 VanDerWaalsContact CD2-CD2 3.47Å; L1070-Y1246 HydrophobicContact CD2-CE2 3.85Å; L1070-Y1246 HydrophobicContact CD2-CG 3.88Å; L1070-Y1246 HydrophobicContact CG-CD2 4.11Å; L1070-Y1246 HydrophobicContact CG-CE2 3.96Å; D1187-Y1246 VanDerWaalsContact OD2-CE1 3.28Å; D1187-Y1246 WeakPolarHBondContact OD2-CE1 3.36Å; D1187-Y1246 VanDerWaalsContact OD2-CZ 3.32Å; D1187-Y1246 PolarHBondContact OD2-OH 3.49Å; Q1242-Y1246 WeakPolarHBondContact O-CB 3.31Å; Q1242-Y1246 PolarHBondContact O-N 2.86Å; V1243-Y1246 PolarHBondContact O-N 2.7Å; Y1246-K1248 VanDerWaalsContact C-N 3.35Å; Y1246-K1248 PolarHBondContact O-N 3.38Å; Y1246-R1249 PolarHBondContact O-N 3.18Å; Y1246-K1250 HydrophobicContact CE1-CD 3.84Å; Y1246-K1250 HydrophobicContact CE1-CG 4.14Å; Y1246-K1250 PolarHBondContact O-N 3.11Å; Y1246-K1250 WeakPolarHBondContact OH-CE 3.47Å; Y1246-V1257 HydrophobicContact CD1-CG1 3.66Å; Y1246-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1246-V1257 HydrophobicContact CE1-CG1 4.39Å; Y1246-L1261 HydrophobicContact CD1-CD1 4.35Å; Y1246-L1261 HydrophobicContact CE1-CD1 4.44Å
1247G92.4Very high91.6Very high2 Ų252.6 Ų52.62%0.02127%0.274CS..Hα-helixtrans-60.3-42.2174.600000112.7V1243 K1250 G1251 T1252V1243-G1247 PolarHBondContact O-N 3.15Å; G1247-K1250 PolarHBondContact O-N 3.09Å; G1247-G1251 WeakPolarHBondContact O-CA 3.27Å; G1247-G1251 PolarHBondContact O-N 3.1Å; G1247-T1252 CarbonylContact C-O 3.54Å; G1247-T1252 PolarHBondContact O-N 3.22Å; G1247-T1252 VanDerWaalsContact O-O 3.13Å
1248K93.7Very high91.7Very high165 Ų16550.9 Ų50.972%0.71727%0.267SS*.Hα-helixtrans-62.5-42.8173.5-71.4168.3-171.61650112.1E1244 D1245 Y1246 G1251E1244-K1248 WeakPolarHBondContact O-CG 3.38Å; E1244-K1248 PolarHBondContact O-N 2.84Å; E1244-K1248 VanDerWaalsContact O-N 3.1Å; D1245-K1248 PolarHBondContact O-N 3.48Å; Y1246-K1248 VanDerWaalsContact C-N 3.35Å; Y1246-K1248 PolarHBondContact O-N 3.38Å; K1248-G1251 PolarHBondContact O-N 2.98Å
1249R93.6Very high91.4Very high54 Ų5456.4 Ų56.420%0.20429%0.288CS..Hα-helixtrans-63.6-40.7177.8-74.3-171.5-76.9136.8-9.6112.4D1047 H1068 G1069 D1245 Y1246D1047-R1249 IonicContact OD1-CZ 2.63Å; D1047-R1249 IonicContact OD1-NH1 2.93Å; D1047-R1249 PolarHBondContact OD1-NH1 3.2Å; D1047-R1249 WeakPolarHBondContact OD2-CD 3.41Å; D1047-R1249 IonicContact OD2-NH1 3.75Å; H1068-R1249 PolarHBondContact CE1-O 3.16Å; G1069-R1249 PolarHBondContact O-NH1 2.94Å; G1069-R1249 PolarHBondContact O-NH2 3.43Å; G1069-R1249 VanDerWaalsContact O-NH2 3.1Å; D1245-R1249 WeakPolarHBondContact O-CG 3.47Å; D1245-R1249 PolarHBondContact O-N 3.42Å; D1245-R1249 IonicContact OD2-CZ 3.91Å; D1245-R1249 IonicContact OD2-NE 3.11Å; D1245-R1249 PolarHBondContact OD2-NE 3.03Å; D1245-R1249 IonicContact OD2-NH2 3.41Å; D1245-R1249 PolarHBondContact OD2-NH2 3.01Å; Y1246-R1249 PolarHBondContact O-N 3.18Å
1250K91.9Very high91Very high46 Ų4656.9 Ų56.920%0.229%0.286CS..Hα-helixtrans-78.4-21.1176.7-86.5-150.3160.91760115.4H1068 D1187 T1189 E1190 Y1246 G1247 T1252H1068-K1250 VanDerWaalsContact CD2-CE 3.46Å; H1068-K1250 WeakPolarHBondContact CD2-CE 3.26Å; D1187-K1250 IonicContact OD2-NZ 3.25Å; D1187-K1250 PolarHBondContact OD2-NZ 2.91Å; T1189-K1250 PolarHBondContact OG1-NZ 3.36Å; E1190-K1250 WeakPolarHBondContact OE1-CE 3.3Å; E1190-K1250 IonicContact OE1-NZ 2.97Å; E1190-K1250 PolarHBondContact OE1-NZ 2.75Å; Y1246-K1250 HydrophobicContact CE1-CD 3.84Å; Y1246-K1250 HydrophobicContact CE1-CG 4.14Å; Y1246-K1250 PolarHBondContact O-N 3.11Å; Y1246-K1250 WeakPolarHBondContact OH-CE 3.47Å; G1247-K1250 PolarHBondContact O-N 3.09Å; K1250-T1252 VanDerWaalsContact C-N 3.35Å; K1250-T1252 HydrophobicContact CB-CG2 4.23Å
1251G90.9Very high90.9Very high70 Ų7053.1 Ų53.172%0.72227%0.27SS*.THydrogen-bonded Turntrans72.329-169.900000113.1G1247 K1248G1247-G1251 WeakPolarHBondContact O-CA 3.27Å; G1247-G1251 PolarHBondContact O-N 3.1Å; K1248-G1251 PolarHBondContact O-N 2.98Å
1252T90.4Very high90.4Very high45 Ų4550.8 Ų50.828%0.27627%0.266SS..  trans-113.1157.4177.352.40000110.5G1247 K1250 V1257G1247-T1252 CarbonylContact C-O 3.54Å; G1247-T1252 PolarHBondContact O-N 3.22Å; G1247-T1252 VanDerWaalsContact O-O 3.13Å; K1250-T1252 VanDerWaalsContact C-N 3.35Å; K1250-T1252 HydrophobicContact CB-CG2 4.23Å; T1252-V1257 VanDerWaalsContact OG1-CG2 3.32Å; T1252-V1257 WeakPolarHBondContact OG1-CG2 3.46Å
1253S91.1Very high89.6Confident62 Ų6253.2 Ų53.243%0.43428%0.282SS..  trans-68.3154.2176.869.30000111.2E1255 E1256 V1257S1253-E1255 VanDerWaalsContact C-N 3.27Å; S1253-E1255 PolarHBondContact O-N 3.18Å; S1253-E1256 PolarHBondContact O-N 3Å; S1253-E1256 WeakPolarHBondContact OG-CB 3.31Å; S1253-E1256 PolarHBondContact OG-N 3.04Å; S1253-V1257 PolarHBondContact O-N 2.97Å; S1253-V1257 VanDerWaalsContact O-N 3.11Å
1254T88.9Confident89.3Confident48 Ų4854.4 Ų54.429%0.29429%0.288SS..Hα-helixtrans-56.4-43.9175-50.80000110.9V1243 E1244 E1256 V1257 E1258V1243-T1254 HydrophobicContact CG1-CG2 3.88Å; E1244-T1254 HydrophobicContact CG-CG2 4.03Å; T1254-E1256 VanDerWaalsContact C-N 3.3Å; T1254-E1256 PolarHBondContact O-N 3.22Å; T1254-V1257 PolarHBondContact O-N 3.46Å; T1254-V1257 VanDerWaalsContact O-N 3.15Å; T1254-E1258 HydrophobicContact CG2-CG 4.28Å; T1254-E1258 VanDerWaalsContact O-CG 3.27Å; T1254-E1258 WeakPolarHBondContact O-CG 3.26Å; T1254-E1258 PolarHBondContact O-N 2.96Å
1255E86.2Confident88.9Confident152 Ų15251.7 Ų51.771%0.7128%0.276SS*.Hα-helixtrans-57.8-40.6178.3-67.5176-174.800112.8S1253 E1258 R1259S1253-E1255 VanDerWaalsContact C-N 3.27Å; S1253-E1255 PolarHBondContact O-N 3.18Å; E1255-E1258 PolarHBondContact O-N 3.48Å; E1255-R1259 WeakPolarHBondContact O-CB 3.3Å; E1255-R1259 PolarHBondContact O-N 2.94Å
1256E86.5Confident88.4Confident90 Ų9050.8 Ų50.842%0.42128%0.275SS..Hα-helixtrans-69.5-39.4178.2-172175.1-173.500111.3S1253 T1254 R1259 W1260S1253-E1256 PolarHBondContact O-N 3Å; S1253-E1256 WeakPolarHBondContact OG-CB 3.31Å; S1253-E1256 PolarHBondContact OG-N 3.04Å; T1254-E1256 VanDerWaalsContact C-N 3.3Å; T1254-E1256 PolarHBondContact O-N 3.22Å; E1256-R1259 VanDerWaalsContact O-CB 3.25Å; E1256-R1259 WeakPolarHBondContact O-CB 3.27Å; E1256-R1259 PolarHBondContact O-N 3.17Å; E1256-W1260 PolarHBondContact O-N 2.86Å
1257V89.7Confident87.7Confident5 Ų553.1 Ų53.13%0.0328%0.284CS..Hα-helixtrans-64.5-45.6173.9178.20000111.1V1243 Y1246 T1252 S1253 T1254 R1259 W1260 L1261V1243-V1257 HydrophobicContact CG1-CB 4.1Å; V1243-V1257 HydrophobicContact CG1-CG1 3.79Å; Y1246-V1257 HydrophobicContact CD1-CG1 3.66Å; Y1246-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1246-V1257 HydrophobicContact CE1-CG1 4.39Å; T1252-V1257 VanDerWaalsContact OG1-CG2 3.32Å; T1252-V1257 WeakPolarHBondContact OG1-CG2 3.46Å; S1253-V1257 PolarHBondContact O-N 2.97Å; S1253-V1257 VanDerWaalsContact O-N 3.11Å; T1254-V1257 PolarHBondContact O-N 3.46Å; T1254-V1257 VanDerWaalsContact O-N 3.15Å; V1257-R1259 PolarHBondContact O-N 3.27Å; V1257-W1260 PolarHBondContact O-N 3.32Å; V1257-L1261 HydrophobicContact CG1-CD1 3.61Å; V1257-L1261 HydrophobicContact CG1-CG 4.19Å; V1257-L1261 WeakPolarHBondContact O-CB 3.44Å; V1257-L1261 PolarHBondContact O-N 2.92Å
1258E88.9Confident86.6Confident20 Ų2058.4 Ų58.49%0.09331%0.309CS..Hα-helixtrans-62-28.9177.5-68.9177.4160.200112.4V1243 T1254 E1255 A1262 L1265 Y1267 K1269V1243-E1258 HydrophobicContact CG1-CG 3.62Å; T1254-E1258 HydrophobicContact CG2-CG 4.28Å; T1254-E1258 VanDerWaalsContact O-CG 3.27Å; T1254-E1258 WeakPolarHBondContact O-CG 3.26Å; T1254-E1258 PolarHBondContact O-N 2.96Å; E1255-E1258 PolarHBondContact O-N 3.48Å; E1258-A1262 WeakPolarHBondContact O-CA 3.46Å; E1258-A1262 WeakPolarHBondContact O-CB 3.36Å; E1258-A1262 PolarHBondContact O-N 3.48Å; E1258-A1262 VanDerWaalsContact O-N 3.08Å; E1258-L1265 HydrophobicContact CB-CD1 4.02Å; E1258-L1265 HydrophobicContact CG-CD1 4.27Å; E1258-Y1267 WeakPolarHBondContact CG-OH 3.47Å; E1258-Y1267 WeakPolarHBondContact OE1-CE2 3.38Å; E1258-Y1267 PolarHBondContact OE1-OH 3.32Å; E1258-K1269 VanDerWaalsContact OE2-CE 3.23Å; E1258-K1269 WeakPolarHBondContact OE2-CE 3.44Å
1259R84.1Confident85.3Confident117 Ų11755 Ų5544%0.44229%0.294SS..Hα-helixtrans-63.4-56.7172.6-169.3-169.8175.2-179.9-2.9110.9E842 E843 E1255 E1256 V1257 L1261 A1262E842-R1259 VanDerWaalsContact OE1-CA 3.29Å; E842-R1259 WeakPolarHBondContact OE1-CA 3.06Å; E842-R1259 WeakPolarHBondContact OE1-CG 3.49Å; E842-R1259 VanDerWaalsContact OE1-O 3.12Å; E842-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E842-R1259 WeakPolarHBondContact OE2-CG 3.28Å; E842-R1259 IonicContact OE2-CZ 2.68Å; E842-R1259 IonicContact OE2-NE 2.82Å; E842-R1259 PolarHBondContact OE2-NE 3.08Å; E842-R1259 IonicContact OE2-NH2 3.98Å; E843-R1259 IonicContact OE1-NH2 3.78Å; E1255-R1259 WeakPolarHBondContact O-CB 3.3Å; E1255-R1259 PolarHBondContact O-N 2.94Å; E1256-R1259 VanDerWaalsContact O-CB 3.25Å; E1256-R1259 WeakPolarHBondContact O-CB 3.27Å; E1256-R1259 PolarHBondContact O-N 3.17Å; V1257-R1259 PolarHBondContact O-N 3.27Å; R1259-L1261 VanDerWaalsContact C-N 3.32Å; R1259-L1261 PolarHBondContact O-N 3.35Å; R1259-A1262 PolarHBondContact O-N 3.06Å
1260W85.4Confident83.2Confident37 Ų3760.4 Ų60.414%0.1432%0.321CS..Hα-helixtrans-69.1-28.3-178.1-70.5105.6000113.7P839 H1188 T1189 L1212 E1256 V1257P839-W1260 HydrophobicContact CB-CZ3 4.12Å; P839-W1260 HydrophobicContact CG-CE3 3.78Å; P839-W1260 HydrophobicContact CG-CZ3 3.46Å; P839-W1260 VanDerWaalsContact CG-CZ3 3.46Å; H1188-W1260 HydrophobicContact CB-CE3 4.18Å; H1188-W1260 HydrophobicContact CB-CZ3 4.15Å; T1189-W1260 HydrophobicContact CG2-CB 4.46Å; T1189-W1260 HydrophobicContact CG2-CD2 3.44Å; T1189-W1260 VanDerWaalsContact CG2-CD2 3.44Å; T1189-W1260 VanDerWaalsContact CG2-CE2 3.47Å; T1189-W1260 HydrophobicContact CG2-CE3 3.92Å; T1189-W1260 HydrophobicContact CG2-CG 3.67Å; T1189-W1260 HydrophobicContact CG2-CH2 4.41Å; T1189-W1260 HydrophobicContact CG2-CZ2 3.99Å; T1189-W1260 HydrophobicContact CG2-CZ3 4.37Å; L1212-W1260 HydrophobicContact CD1-CH2 3.78Å; L1212-W1260 HydrophobicContact CD1-CZ2 4.37Å; L1212-W1260 HydrophobicContact CD1-CZ3 3.94Å; L1212-W1260 HydrophobicContact CG-CH2 3.84Å; L1212-W1260 HydrophobicContact CG-CZ3 4.21Å; E1256-W1260 PolarHBondContact O-N 2.86Å; V1257-W1260 PolarHBondContact O-N 3.32Å
1261L89Confident80.5Confident2 Ų266.6 Ų66.61%0.0138%0.381CS..THydrogen-bonded Turntrans-102.613.2-178-61.3-175.6000113.9L1070 P1186 D1187 I1238 Y1246 V1257 R1259 P1263 I1264 L1265L1070-L1261 HydrophobicContact CD1-CD1 3.82Å; L1070-L1261 HydrophobicContact CD1-CD2 3.98Å; L1070-L1261 HydrophobicContact CD2-CD1 4.12Å; P1186-L1261 HydrophobicContact CG-CD2 4.49Å; D1187-L1261 HydrophobicContact CB-CD2 3.92Å; I1238-L1261 HydrophobicContact CD1-CD1 3.86Å; Y1246-L1261 HydrophobicContact CD1-CD1 4.35Å; Y1246-L1261 HydrophobicContact CE1-CD1 4.44Å; V1257-L1261 HydrophobicContact CG1-CD1 3.61Å; V1257-L1261 HydrophobicContact CG1-CG 4.19Å; V1257-L1261 WeakPolarHBondContact O-CB 3.44Å; V1257-L1261 PolarHBondContact O-N 2.92Å; R1259-L1261 VanDerWaalsContact C-N 3.32Å; R1259-L1261 PolarHBondContact O-N 3.35Å; L1261-P1263 VanDerWaalsContact C-N 3.31Å; L1261-P1263 VanDerWaalsContact O-N 3.08Å; L1261-I1264 HydrophobicContact CB-CD1 4.2Å; L1261-I1264 HydrophobicContact CB-CG1 3.88Å; L1261-I1264 HydrophobicContact CD1-CD1 4.34Å; L1261-I1264 HydrophobicContact CD2-CD1 3.98Å; L1261-I1264 HydrophobicContact CD2-CG1 4.37Å; L1261-I1264 HydrophobicContact CG-CD1 4.41Å; L1261-I1264 WeakPolarHBondContact O-CG1 3.32Å; L1261-I1264 PolarHBondContact O-N 2.86Å; L1261-L1265 HydrophobicContact CB-CD2 4.41Å; L1261-L1265 PolarHBondContact O-N 3.09Å
1262A83.1Confident80Confident39 Ų3966.4 Ų66.432%0.32236%0.364SS..G310 helixtrans-46.1-42.4-175.700000114.9E1258 R1259 I1264 L1265E1258-A1262 WeakPolarHBondContact O-CA 3.46Å; E1258-A1262 WeakPolarHBondContact O-CB 3.36Å; E1258-A1262 PolarHBondContact O-N 3.48Å; E1258-A1262 VanDerWaalsContact O-N 3.08Å; R1259-A1262 PolarHBondContact O-N 3.06Å; A1262-I1264 PolarHBondContact O-N 2.97Å; A1262-L1265 PolarHBondContact O-N 3.04Å
1263P79.1Confident79.4Confident50 Ų5067.5 Ų67.533%0.32537%0.369SS..G310 helixtrans-67.8-22.2-178.5-21.233.6000114.6T838 K1237 L1261T838-P1263 VanDerWaalsContact CG2-CD 3.45Å; T838-P1263 HydrophobicContact CG2-CG 3.22Å; K1237-P1263 PolarHBondContact NZ-O 3.41Å; L1261-P1263 VanDerWaalsContact C-N 3.31Å; L1261-P1263 VanDerWaalsContact O-N 3.08Å
1264I86.2Confident78.8Confident25 Ų2567.8 Ų67.813%0.12837%0.365CS..G310 helixtrans-1063.8-174.867.2158.4000113.1L1070 P1186 V1235 G1236 K1237 I1238 L1261 A1262 G1266L1070-I1264 HydrophobicContact CD1-CD1 3.85Å; P1186-I1264 HydrophobicContact CB-CD1 4.3Å; P1186-I1264 HydrophobicContact CB-CG2 4.33Å; P1186-I1264 HydrophobicContact CG-CD1 3.62Å; P1186-I1264 HydrophobicContact CG-CG2 4.5Å; V1235-I1264 HydrophobicContact CG1-CD1 4.47Å; G1236-I1264 WeakPolarHBondContact O-CB 3.38Å; K1237-I1264 CarbonylContact C-O 3.54Å; K1237-I1264 WeakPolarHBondContact CA-O 3.29Å; K1237-I1264 WeakPolarHBondContact CD-O 3.25Å; I1238-I1264 HydrophobicContact CD1-CD1 3.73Å; I1238-I1264 HydrophobicContact CD1-CG1 4.17Å; I1238-I1264 HydrophobicContact CG1-CD1 4.09Å; I1238-I1264 HydrophobicContact CG1-CG1 4.24Å; I1238-I1264 HydrophobicContact CG2-CD1 4.26Å; I1238-I1264 PolarHBondContact N-O 3.26Å; L1261-I1264 HydrophobicContact CB-CD1 4.2Å; L1261-I1264 HydrophobicContact CB-CG1 3.88Å; L1261-I1264 HydrophobicContact CD1-CD1 4.34Å; L1261-I1264 HydrophobicContact CD2-CD1 3.98Å; L1261-I1264 HydrophobicContact CD2-CG1 4.37Å; L1261-I1264 HydrophobicContact CG-CD1 4.41Å; L1261-I1264 WeakPolarHBondContact O-CG1 3.32Å; L1261-I1264 PolarHBondContact O-N 2.86Å; A1262-I1264 PolarHBondContact O-N 2.97Å; I1264-G1266 PolarHBondContact O-N 3.41Å
1265L86.6Confident78.2Confident17 Ų1769 Ų699%0.08937%0.369CS..BIsolated β-bridgetrans-66.5129.8174.2-56.8-178.8000110.2K1237 I1238 V1243 E1258 L1261 A1262 Y1267K1237-L1265 WeakPolarHBondContact CD-O 3.48Å; K1237-L1265 PolarHBondContact NZ-O 3.49Å; K1237-L1265 VanDerWaalsContact NZ-O 3.1Å; I1238-L1265 HydrophobicContact CG1-CD2 4.41Å; V1243-L1265 HydrophobicContact CG2-CD2 3.72Å; E1258-L1265 HydrophobicContact CB-CD1 4.02Å; E1258-L1265 HydrophobicContact CG-CD1 4.27Å; L1261-L1265 HydrophobicContact CB-CD2 4.41Å; L1261-L1265 PolarHBondContact O-N 3.09Å; A1262-L1265 PolarHBondContact O-N 3.04Å; L1265-Y1267 VanDerWaalsContact C-N 3.33Å; L1265-Y1267 HydrophobicContact CB-CE1 4.39Å; L1265-Y1267 HydrophobicContact CD2-CE1 4.04Å
1266G83.4Confident77.6Confident19 Ų1963.8 Ų63.820%0.19635%0.348CS..SBendtrans-91.49.8175.200000114I1238 I1264I1238-G1266 PolarHBondContact O-N 3.44Å; I1264-G1266 PolarHBondContact O-N 3.41Å
1267Y81Confident77.1Confident50 Ų5062.1 Ų62.120%0.19634%0.343CS..SBendtrans-141.5163.2-177.563.1-82.9000110.5K1240 V1243 E1258 L1265K1240-Y1267 HydrophobicContact CB-CD1 4.02Å; K1240-Y1267 HydrophobicContact CB-CD2 4.27Å; K1240-Y1267 HydrophobicContact CB-CE1 3.73Å; K1240-Y1267 HydrophobicContact CB-CE2 4Å; K1240-Y1267 HydrophobicContact CB-CG 4.28Å; K1240-Y1267 HydrophobicContact CD-CD2 4.45Å; K1240-Y1267 HydrophobicContact CD-CE2 4.09Å; K1240-Y1267 HydrophobicContact CG-CE1 4.39Å; K1240-Y1267 HydrophobicContact CG-CE2 3.98Å; K1240-Y1267 VanDerWaalsContact N-CE1 3.28Å; V1243-Y1267 HydrophobicContact CG2-CE1 3.99Å; E1258-Y1267 WeakPolarHBondContact CG-OH 3.47Å; E1258-Y1267 WeakPolarHBondContact OE1-CE2 3.38Å; E1258-Y1267 PolarHBondContact OE1-OH 3.32Å; L1265-Y1267 VanDerWaalsContact C-N 3.33Å; L1265-Y1267 HydrophobicContact CB-CE1 4.39Å; L1265-Y1267 HydrophobicContact CD2-CE1 4.04Å
1268E69.1Low76.2Confident114 Ų11466.1 Ų66.153%0.53337%0.365SS..PPolyproline II helixtrans-84.2140.5173.4-64.8-162.5139.500111.6Y925 E1270Y925-E1268 VanDerWaalsContact CE1-OE1 3.29Å; Y925-E1268 WeakPolarHBondContact CE1-OE1 3.44Å; E1268-E1270 PolarHBondContact O-N 3.03Å
1269K66Low75.2Confident93 Ų9369.7 Ų69.740%0.40439%0.386SS..PPolyproline II helixtrans-64.1126.6164.3-80.6-176.3173.4-179.40107.9E1258 A1271E1258-K1269 VanDerWaalsContact OE2-CE 3.23Å; E1258-K1269 WeakPolarHBondContact OE2-CE 3.44Å; K1269-A1271 PolarHBondContact O-N 3.03Å
1270E49.5Very low74.4Confident167 Ų16765.8 Ų65.878%0.7838%0.382SS*.PPolyproline II helixtrans-61.2126.5164.8-70.8171153.600107.2K1240 E1268K1240-E1270 IonicContact NZ-OE2 3.82Å; E1268-E1270 PolarHBondContact O-N 3.03Å
1271A34.7Very low73.4Confident176 Ų17668.4 Ų68.4100%1.45540%0.404SS*.  trans-66.80-17100000113.6K1269K1269-A1271 PolarHBondContact O-N 3.03Å

Retrieved 1,271 of 1,271 residues in 957.9 ms (Link to these results)

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