G4VL32_SCHMA Loading...

Threonylcarbamoyl-AMP synthase

AlphaFold DB , UniProt , Accession G4VL32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 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
1M32.9Very low39.7Very low232 Ų232118.3 Ų118.3100%1.14364%0.635SS**  0129.40-66.4-158.6165.400107.5S3M1-S3 PolarHBondContact O-N 3.14Å
2P37Very low40.1Very low112 Ų112120.2 Ų120.273%0.72763%0.634SS**  trans-57.9131.9172.426.7-31.7000107.8C6P2-C6 HydrophobicContact CB-CB 4.46Å
3S39.7Very low40.5Very low82 Ų82114.2 Ų114.257%0.57360%0.598SS**  trans-57.2147.9175.660.80000108.9M1 L5 C6M1-S3 PolarHBondContact O-N 3.14Å; S3-L5 PolarHBondContact O-N 2.81Å; S3-L5 WeakPolarHBondContact OG-CB 3.3Å; S3-C6 PolarHBondContact O-N 3.2Å
4K40.7Very low40.6Very low195 Ų195109.4 Ų109.485%0.84858%0.577SS**THydrogen-bonded Turntrans-48.4-18.1172.9-80.8179.1173.2179.80113.2C6K4-C6 PolarHBondContact O-N 3.49Å
5L43.6Very low40.9Very low48 Ų48110.2 Ų110.225%0.25159%0.588SS.*Hα-helixtrans-62.1-33.9175.7-139.175.2000114.3S3 H7 L8 L9 D217S3-L5 PolarHBondContact O-N 2.81Å; S3-L5 WeakPolarHBondContact OG-CB 3.3Å; L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 2.71Å; L5-L8 PolarHBondContact O-N 3.2Å; L5-L9 WeakPolarHBondContact O-CD1 3.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.15Å; L5-D217 WeakPolarHBondContact CD2-OD1 3.09Å
6C38.8Very low41.2Very low79 Ų79110.1 Ų110.153%0.53459%0.586SS.*Hα-helixtrans-69.5-22.8-173.2-157.30000113.7P2 S3 K4P2-C6 HydrophobicContact CB-CB 4.46Å; S3-C6 PolarHBondContact O-N 3.2Å; K4-C6 PolarHBondContact O-N 3.49Å
7H35.6Very low42Very low157 Ų157105 Ų10573%0.72756%0.558SS**Hα-helixtrans-94.7-18.3175.4-84.5-54.3000113.9L5 T10L5-H7 VanDerWaalsContact C-N 3.27Å; L5-H7 PolarHBondContact O-N 2.71Å; H7-T10 PolarHBondContact O-OG1 3.38Å
8L39.3Very low42.9Very low72 Ų72106.9 Ų106.938%0.37757%0.569SS.*Hα-helixtrans-82.1-28.4175.1-95.9140000112.5L5 T10 N11 F12L5-L8 PolarHBondContact O-N 3.2Å; L8-T10 PolarHBondContact O-N 3.28Å; L8-N11 PolarHBondContact O-N 2.92Å; L8-F12 HydrophobicContact CD2-CB 4.38Å; L8-F12 HydrophobicContact CD2-CD2 4.44Å; L8-F12 PolarHBondContact O-N 3.48Å
9L42.1Very low44.5Very low84 Ų84107.3 Ų107.344%0.4457%0.571SS.*THydrogen-bonded Turntrans-61.4-23.8178.6-76.6162.1000113.9L5 Y13L5-L9 WeakPolarHBondContact O-CD1 3.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.15Å; L9-Y13 HydrophobicContact CD2-CD2 3.84Å; L9-Y13 HydrophobicContact CD2-CE1 4.26Å; L9-Y13 HydrophobicContact CD2-CE2 3.36Å; L9-Y13 HydrophobicContact CD2-CG 4.46Å; L9-Y13 HydrophobicContact CG-CE2 4.1Å
10T45.1Very low46.7Very low103 Ų103105.9 Ų105.963%0.63256%0.56SS**THydrogen-bonded Turntrans-94.5-18.2-177.641.40000115.3H7 L8H7-T10 PolarHBondContact O-OG1 3.38Å; L8-T10 PolarHBondContact O-N 3.28Å
11N41.7Very low49Very low137 Ų137103.6 Ų103.673%0.73355%0.547SS*.THydrogen-bonded Turntrans-124.1-8.6-170.7-76.9-24.1000115.7L8L8-N11 PolarHBondContact O-N 2.92Å
12F45Very low52Low141 Ų14193.6 Ų93.662%0.61850%0.498SS*.THydrogen-bonded Turntrans-130.1-7.9179.8-95.4-86.6000115.1L8 P14L8-F12 HydrophobicContact CD2-CB 4.38Å; L8-F12 HydrophobicContact CD2-CD2 4.44Å; L8-F12 PolarHBondContact O-N 3.48Å; F12-P14 WeakPolarHBondContact O-CD 3.28Å
13Y45.5Very low54.8Low43 Ų4391.6 Ų91.617%0.16948%0.481CS..SBendtrans-76.9121.9167.1-80.5-103.5000107.2L9 T15 M17 L37L9-Y13 HydrophobicContact CD2-CD2 3.84Å; L9-Y13 HydrophobicContact CD2-CE1 4.26Å; L9-Y13 HydrophobicContact CD2-CE2 3.36Å; L9-Y13 HydrophobicContact CD2-CG 4.46Å; L9-Y13 HydrophobicContact CG-CE2 4.1Å; Y13-T15 PolarHBondContact O-N 3.37Å; Y13-T15 VanDerWaalsContact O-N 3.15Å; Y13-M17 HydrophobicContact CD1-CB 4.28Å; Y13-M17 HydrophobicContact CD1-CE 3.68Å; Y13-M17 HydrophobicContact CE1-CE 3.69Å; Y13-L37 HydrophobicContact CE1-CD1 4.24Å; Y13-L37 WeakPolarHBondContact OH-CD1 3.19Å
14P41Very low57.5Low47 Ų4789.8 Ų89.831%0.30547%0.466SS..  trans-51.2132.5161.422.8-29.7000105.8F12 I16 M17 A33F12-P14 WeakPolarHBondContact O-CD 3.28Å; P14-I16 HydrophobicContact CB-CD1 4.27Å; P14-I16 HydrophobicContact CB-CG1 4.27Å; P14-I16 PolarHBondContact O-N 3.02Å; P14-M17 PolarHBondContact O-N 3.33Å; P14-M17 VanDerWaalsContact O-N 3.16Å; P14-A33 HydrophobicContact CG-CB 3.78Å
15T45.1Very low60.1Low121 Ų12188 Ų8874%0.74246%0.459SS*.THydrogen-bonded Turntrans-48.1-0.8178.224.80000114.9Y13 N18Y13-T15 PolarHBondContact O-N 3.37Å; Y13-T15 VanDerWaalsContact O-N 3.15Å; T15-N18 PolarHBondContact O-ND2 3.46Å; T15-N18 PolarHBondContact O-OD1 2.74Å
16I46Very low62.5Low108 Ų10888.8 Ų88.855%0.55446%0.463SS*.THydrogen-bonded Turntrans-82.2-24.1-178.3-49.3173.9000112.2P14 N18 N30P14-I16 HydrophobicContact CB-CD1 4.27Å; P14-I16 HydrophobicContact CB-CG1 4.27Å; P14-I16 PolarHBondContact O-N 3.02Å; I16-N18 PolarHBondContact O-N 3.46Å; I16-N30 VanDerWaalsContact CG2-OD1 3.23Å; I16-N30 WeakPolarHBondContact CG2-OD1 3.43Å
17M55.4Low65.2Low24 Ų2485 Ų8512%0.11844%0.438CS..  trans-101.553.7175-67.7-159.1-62.200113.1Y13 P14 N19 A33 L37 L218Y13-M17 HydrophobicContact CD1-CB 4.28Å; Y13-M17 HydrophobicContact CD1-CE 3.68Å; Y13-M17 HydrophobicContact CE1-CE 3.69Å; P14-M17 PolarHBondContact O-N 3.33Å; P14-M17 VanDerWaalsContact O-N 3.16Å; M17-N19 PolarHBondContact O-N 3.33Å; M17-A33 HydrophobicContact CE-CB 4.43Å; M17-L37 HydrophobicContact CE-CD2 4.24Å; M17-L218 HydrophobicContact SD-CD1 3.75Å; M17-L218 HydrophobicContact SD-CD2 3.84Å; M17-L218 HydrophobicContact SD-CG 4.4Å
18N57.6Low68.1Low140 Ų14080.3 Ų80.375%0.74942%0.422SS*.  trans-66.3-20.7170.1-74.4-17.9000112.6T15 I16T15-N18 PolarHBondContact O-ND2 3.46Å; T15-N18 PolarHBondContact O-OD1 2.74Å; I16-N18 PolarHBondContact O-N 3.46Å
19N72.9Confident70.8Confident113 Ų11383.2 Ų83.260%0.60444%0.437SS*.  trans-107126.9178.7-71.2-9000110.8M17 I21M17-N19 PolarHBondContact O-N 3.33Å; N19-I21 PolarHBondContact O-N 3.28Å
20K88.8Confident73.3Confident80 Ų8081 Ų8135%0.34843%0.426SS..SBendtrans-63.7-20.9173-175.1165.8-176.5151.10113.7W213 S214 I216 I219K20-W213 WeakPolarHBondContact CE-O 3.41Å; K20-W213 PolarHBondContact NZ-O 3.09Å; K20-S214 PolarHBondContact NZ-O 3.48Å; K20-I216 WeakPolarHBondContact CE-O 3.25Å; K20-I216 PolarHBondContact NZ-O 3.36Å; K20-I219 PolarHBondContact O-N 3.46Å
21I95.3Very high75.7Confident58 Ų5877.7 Ų77.730%0.29741%0.405SS..EExtended strand (participates in β ladder)trans-116.3121.1178.7-56.6166.4000107.7N19 I206 W213 I219 N221N19-I21 PolarHBondContact O-N 3.28Å; I21-I206 HydrophobicContact CD1-CD1 4.22Å; I21-I206 HydrophobicContact CG2-CD1 3.72Å; I21-W213 HydrophobicContact CD1-CE3 4.17Å; I21-W213 HydrophobicContact CD1-CH2 3.89Å; I21-W213 HydrophobicContact CD1-CZ2 4.25Å; I21-W213 HydrophobicContact CD1-CZ3 3.86Å; I21-I219 WeakPolarHBondContact CA-O 3.26Å; I21-I219 HydrophobicContact CG1-CB 4.08Å; I21-I219 HydrophobicContact CG1-CD1 4.08Å; I21-I219 HydrophobicContact CG1-CG2 4.45Å; I21-N221 HydrophobicContact CG2-CB 4.04Å
22I95.6Very high78.2Confident21 Ų2176.8 Ų76.811%0.10840%0.4CS..EExtended strand (participates in β ladder)trans-128.2149.2175.365176.1000109.3A27 I34 L218 I219 I220 N221I22-A27 HydrophobicContact CD1-CB 3.7Å; I22-A27 HydrophobicContact CG1-CB 4.15Å; I22-I34 HydrophobicContact CD1-CD1 4.18Å; I22-L218 HydrophobicContact CD1-CD1 3.98Å; I22-L218 HydrophobicContact CD1-CD2 4.03Å; I22-L218 HydrophobicContact CD1-CG 4.41Å; I22-L218 HydrophobicContact CG1-CD1 3.98Å; I22-L218 HydrophobicContact CG1-CG 4.5Å; I22-L218 HydrophobicContact CG2-CD1 4.37Å; I22-I219 PolarHBondContact N-O 3.27Å; I22-I220 HydrophobicContact CG1-CG1 4.36Å; I22-I220 CarbonylContact O-C 3.56Å; I22-I220 WeakPolarHBondContact O-CA 3.24Å; I22-N221 PolarHBondContact O-N 3.47Å
23N95.8Very high80.5Confident71 Ų7170.7 Ų70.738%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-78.2163.7175.465.860.6000111.4K25 D26 A27 N221N23-K25 PolarHBondContact O-N 3.11Å; N23-K25 WeakPolarHBondContact OD1-CA 3.1Å; N23-K25 VanDerWaalsContact OD1-CB 3.29Å; N23-K25 WeakPolarHBondContact OD1-CB 3.11Å; N23-K25 PolarHBondContact OD1-N 3.46Å; N23-D26 PolarHBondContact ND2-OD2 3.39Å; N23-D26 PolarHBondContact O-N 2.99Å; N23-D26 PolarHBondContact OD1-N 3.18Å; N23-D26 PolarHBondContact OD1-OD2 2.66Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.99Å; N23-N221 VanDerWaalsContact CA-O 3.28Å; N23-N221 WeakPolarHBondContact CA-O 3.23Å
24V95.8Very high82.9Confident43 Ų4368.7 Ų68.726%0.26137%0.367SS..Hα-helixtrans-58.5-31.9-179.41730000113.3S28 P48 F148 I220 N221V24-S28 WeakPolarHBondContact O-CB 3.1Å; V24-S28 PolarHBondContact O-N 2.84Å; V24-S28 PolarHBondContact O-OG 2.69Å; V24-P48 HydrophobicContact CG2-CG 3.68Å; V24-F148 HydrophobicContact CG1-CB 3.99Å; V24-F148 HydrophobicContact CG1-CD2 4.31Å; V24-F148 HydrophobicContact CG1-CG 4.12Å; V24-I220 HydrophobicContact CB-CG2 4.46Å; V24-I220 HydrophobicContact CG2-CG2 3.74Å; V24-N221 PolarHBondContact N-O 3.14Å; V24-N221 VanDerWaalsContact N-O 3.13Å
25K95.2Very high85.5Confident158 Ų15866.5 Ų66.569%0.68735%0.353SS*.Hα-helixtrans-67.6-48.8178.4-178-174.3177.2-174.90110.7N23 A27 S28 L29N23-K25 PolarHBondContact O-N 3.11Å; N23-K25 WeakPolarHBondContact OD1-CA 3.1Å; N23-K25 VanDerWaalsContact OD1-CB 3.29Å; N23-K25 WeakPolarHBondContact OD1-CB 3.11Å; N23-K25 PolarHBondContact OD1-N 3.46Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.06Å; K25-S28 WeakPolarHBondContact O-CB 3.37Å; K25-S28 PolarHBondContact O-N 2.86Å; K25-L29 PolarHBondContact O-N 3.33Å; K25-L29 VanDerWaalsContact O-N 3.14Å
26D95.4Very high87.8Confident65 Ų6564.4 Ų64.435%0.34834%0.335SS..Hα-helixtrans-67-36.4177.4-63.4-25.5000111.3N23 S28 L29 N30N23-D26 PolarHBondContact ND2-OD2 3.39Å; N23-D26 PolarHBondContact O-N 2.99Å; N23-D26 PolarHBondContact OD1-N 3.18Å; N23-D26 PolarHBondContact OD1-OD2 2.66Å; D26-S28 VanDerWaalsContact C-N 3.3Å; D26-S28 PolarHBondContact O-N 2.8Å; D26-L29 PolarHBondContact O-N 2.68Å; D26-N30 WeakPolarHBondContact O-CB 3.14Å; D26-N30 PolarHBondContact O-N 3.03Å; D26-N30 PolarHBondContact O-ND2 2.69Å
27A95.7Very high90.1Very high0 Ų059.3 Ų59.30%031%0.309CS..Hα-helixtrans-60.7-40.4172.500000112.2I22 N23 K25 L29 N30 L31 I34 F148 I220I22-A27 HydrophobicContact CD1-CB 3.7Å; I22-A27 HydrophobicContact CG1-CB 4.15Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.99Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 3.06Å; A27-L29 VanDerWaalsContact C-N 3.33Å; A27-L29 PolarHBondContact O-N 3.31Å; A27-N30 CarbonylContact O-C 3.54Å; A27-N30 PolarHBondContact O-N 3.19Å; A27-L31 PolarHBondContact O-N 2.7Å; A27-L31 VanDerWaalsContact O-N 3.13Å; A27-I34 HydrophobicContact CB-CD1 3.68Å; A27-I34 WeakPolarHBondContact O-CD1 3.43Å; A27-F148 HydrophobicContact CB-CE2 3.69Å; A27-F148 HydrophobicContact CB-CZ 3.77Å; A27-I220 HydrophobicContact CB-CD1 3.96Å; A27-I220 HydrophobicContact CB-CG1 4.3Å; A27-I220 HydrophobicContact CB-CG2 3.86Å
28S95.7Very high92Very high57 Ų5758.2 Ų58.240%0.39930%0.303SS..Hα-helixtrans-65.1-36.1176.7-59.10000112.2V24 K25 D26 N30 F148V24-S28 WeakPolarHBondContact O-CB 3.1Å; V24-S28 PolarHBondContact O-N 2.84Å; V24-S28 PolarHBondContact O-OG 2.69Å; K25-S28 WeakPolarHBondContact O-CB 3.37Å; K25-S28 PolarHBondContact O-N 2.86Å; D26-S28 VanDerWaalsContact C-N 3.3Å; D26-S28 PolarHBondContact O-N 2.8Å; S28-N30 VanDerWaalsContact C-N 3.31Å; S28-F148 WeakPolarHBondContact OG-CD2 3.44Å
29L95.2Very high93.6Very high133 Ų13353 Ų5370%0.69628%0.278SS*.Hα-helixtrans-71.3-26.4175.5-66.9173.2000112.7K25 D26 A27K25-L29 PolarHBondContact O-N 3.33Å; K25-L29 VanDerWaalsContact O-N 3.14Å; D26-L29 PolarHBondContact O-N 2.68Å; A27-L29 VanDerWaalsContact C-N 3.33Å; A27-L29 PolarHBondContact O-N 3.31Å
30N94.6Very high94.3Very high37 Ų3752.6 Ų52.620%0.19827%0.273CS..THydrogen-bonded Turntrans-109.526.1-177-66.6-73.7000113I16 D26 A27 S28 N32 A33 I34I16-N30 VanDerWaalsContact CG2-OD1 3.23Å; I16-N30 WeakPolarHBondContact CG2-OD1 3.43Å; D26-N30 WeakPolarHBondContact O-CB 3.14Å; D26-N30 PolarHBondContact O-N 3.03Å; D26-N30 PolarHBondContact O-ND2 2.69Å; A27-N30 CarbonylContact O-C 3.54Å; A27-N30 PolarHBondContact O-N 3.19Å; S28-N30 VanDerWaalsContact C-N 3.31Å; N30-N32 VanDerWaalsContact C-N 3.29Å; N30-N32 PolarHBondContact O-N 3.26Å; N30-A33 WeakPolarHBondContact O-CB 2.83Å; N30-A33 PolarHBondContact O-N 3.37Å; N30-I34 PolarHBondContact O-N 2.76Å
31L95.7Very high94.2Very high35 Ų3550.5 Ų50.518%0.18327%0.265CS..Hα-helixtrans-51.7-45.6-171.4-169.964.6000112.8A27 A33 I34 V35 F148 L152 A155A27-L31 PolarHBondContact O-N 2.7Å; A27-L31 VanDerWaalsContact O-N 3.13Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.07Å; L31-I34 WeakPolarHBondContact O-CB 2.84Å; L31-I34 PolarHBondContact O-N 3.45Å; L31-I34 VanDerWaalsContact O-N 3.07Å; L31-V35 HydrophobicContact CG-CG2 4.39Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.1Å; L31-V35 PolarHBondContact O-N 2.81Å; L31-F148 HydrophobicContact CD1-CE2 4.1Å; L31-F148 HydrophobicContact CD1-CZ 4.47Å; L31-L152 HydrophobicContact CD1-CB 4.1Å; L31-L152 HydrophobicContact CD1-CD1 3.87Å; L31-A155 HydrophobicContact CD2-CB 3.83Å; L31-A155 HydrophobicContact CG-CB 4.22Å
32N94.3Very high94Very high118 Ų11850.8 Ų50.863%0.63127%0.267SS*.Hα-helixtrans-60.5-37-179.2-68.7-12.2000113.1N30 I34 V35 Q36N30-N32 VanDerWaalsContact C-N 3.29Å; N30-N32 PolarHBondContact O-N 3.26Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-V35 PolarHBondContact O-N 3.32Å; N32-Q36 WeakPolarHBondContact O-CG 3.34Å; N32-Q36 PolarHBondContact O-N 2.88Å
33A94Very high93.9Very high13 Ų1349.8 Ų49.811%0.10726%0.262CS..Hα-helixtrans-67.4-36.5176.900000111.3P14 M17 N30 L31 Q36 L37P14-A33 HydrophobicContact CG-CB 3.78Å; M17-A33 HydrophobicContact CE-CB 4.43Å; N30-A33 WeakPolarHBondContact O-CB 2.83Å; N30-A33 PolarHBondContact O-N 3.37Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.07Å; A33-Q36 PolarHBondContact O-N 3.37Å; A33-L37 WeakPolarHBondContact O-CB 3.46Å; A33-L37 PolarHBondContact O-N 2.88Å
34I96.1Very high94Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-69.8-40.4176.1-55.7174.1000110.5I22 A27 N30 L31 N32 L37 I38 F148 L152 L218 I220I22-I34 HydrophobicContact CD1-CD1 4.18Å; A27-I34 HydrophobicContact CB-CD1 3.68Å; A27-I34 WeakPolarHBondContact O-CD1 3.43Å; N30-I34 PolarHBondContact O-N 2.76Å; L31-I34 WeakPolarHBondContact O-CB 2.84Å; L31-I34 PolarHBondContact O-N 3.45Å; L31-I34 VanDerWaalsContact O-N 3.07Å; N32-I34 VanDerWaalsContact C-N 3.32Å; I34-L37 WeakPolarHBondContact O-CB 3.48Å; I34-L37 PolarHBondContact O-N 3Å; I34-I38 HydrophobicContact CG2-CD1 3.89Å; I34-I38 WeakPolarHBondContact O-CG1 3.42Å; I34-I38 PolarHBondContact O-N 3.16Å; I34-F148 HydrophobicContact CD1-CZ 4.1Å; I34-L152 HydrophobicContact CB-CD1 4.28Å; I34-L152 HydrophobicContact CG2-CD1 3.77Å; I34-L152 HydrophobicContact CG2-CD2 4.32Å; I34-L218 HydrophobicContact CD1-CD2 4.11Å; I34-L218 HydrophobicContact CG1-CD2 3.8Å; I34-L218 HydrophobicContact CG2-CD2 4.25Å; I34-I220 HydrophobicContact CD1-CD1 3.94Å
35V95.8Very high94Very high2 Ų244.3 Ų44.31%0.01223%0.232CC..Hα-helixtrans-59.2-48.3174.2176.10000110.1L31 N32 L37 I38 S39 L152 A155 L156 Q159L31-V35 HydrophobicContact CG-CG2 4.39Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.1Å; L31-V35 PolarHBondContact O-N 2.81Å; N32-V35 PolarHBondContact O-N 3.32Å; V35-L37 PolarHBondContact O-N 3.26Å; V35-I38 PolarHBondContact O-N 2.64Å; V35-S39 WeakPolarHBondContact O-CB 3.4Å; V35-S39 PolarHBondContact O-N 3.39Å; V35-S39 PolarHBondContact O-OG 2.88Å; V35-L152 HydrophobicContact CG2-CD1 3.98Å; V35-A155 HydrophobicContact CG2-CB 3.67Å; V35-L156 HydrophobicContact CB-CD2 4.36Å; V35-L156 HydrophobicContact CG1-CD2 3.71Å; V35-L156 HydrophobicContact CG1-CG 4.04Å; V35-L156 HydrophobicContact CG2-CG 4.31Å; V35-Q159 HydrophobicContact CG1-CB 4.01Å; V35-Q159 HydrophobicContact CG1-CG 4.43Å
36Q93.7Very high94.2Very high76 Ų7636.8 Ų36.836%0.35520%0.199SC..Hα-helixtrans-61.1-44176.1-73.3174.6-6.100112.2N32 A33 I38 S39 Q40 N41N32-Q36 WeakPolarHBondContact O-CG 3.34Å; N32-Q36 PolarHBondContact O-N 2.88Å; A33-Q36 PolarHBondContact O-N 3.37Å; Q36-I38 VanDerWaalsContact C-N 3.33Å; Q36-I38 PolarHBondContact O-N 3.15Å; Q36-S39 PolarHBondContact O-N 2.84Å; Q36-Q40 WeakPolarHBondContact O-CB 3.3Å; Q36-Q40 PolarHBondContact O-N 2.75Å; Q36-N41 PolarHBondContact O-N 2.9Å
37L94.4Very high94.3Very high2 Ų233.8 Ų33.81%0.0118%0.183CC..Hα-helixtrans-53.7-50.6175.3173.157.5000111.5Y13 M17 A33 I34 V35 N41 G43 V45 D217 L218Y13-L37 HydrophobicContact CE1-CD1 4.24Å; Y13-L37 WeakPolarHBondContact OH-CD1 3.19Å; M17-L37 HydrophobicContact CE-CD2 4.24Å; A33-L37 WeakPolarHBondContact O-CB 3.46Å; A33-L37 PolarHBondContact O-N 2.88Å; I34-L37 WeakPolarHBondContact O-CB 3.48Å; I34-L37 PolarHBondContact O-N 3Å; V35-L37 PolarHBondContact O-N 3.26Å; L37-N41 HydrophobicContact CD1-CB 4.22Å; L37-N41 CarbonylContact O-C 3.57Å; L37-N41 WeakPolarHBondContact O-CB 3.49Å; L37-N41 PolarHBondContact O-N 3.5Å; L37-G43 VanDerWaalsContact O-CA 3.3Å; L37-G43 WeakPolarHBondContact O-CA 3.36Å; L37-G43 PolarHBondContact O-N 3.15Å; L37-V45 HydrophobicContact CD2-CG1 3.98Å; L37-D217 HydrophobicContact CD1-CB 4.09Å; L37-D217 HydrophobicContact CD2-CB 4.28Å; L37-L218 HydrophobicContact CD2-CB 3.7Å; L37-L218 HydrophobicContact CD2-CD2 4.17Å
38I95Very high94.3Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-72.7-39.7-176-67.2169.6000112.4I34 V35 Q36 V45 L152 L156 L190I34-I38 HydrophobicContact CG2-CD1 3.89Å; I34-I38 WeakPolarHBondContact O-CG1 3.42Å; I34-I38 PolarHBondContact O-N 3.16Å; V35-I38 PolarHBondContact O-N 2.64Å; Q36-I38 VanDerWaalsContact C-N 3.33Å; Q36-I38 PolarHBondContact O-N 3.15Å; I38-V45 HydrophobicContact CD1-CG1 4.08Å; I38-V45 HydrophobicContact CD1-CG2 3.73Å; I38-V45 HydrophobicContact CG1-CG1 3.79Å; I38-V45 HydrophobicContact CG1-CG2 4.15Å; I38-L152 HydrophobicContact CD1-CD1 4.19Å; I38-L152 HydrophobicContact CD1-CD2 3.94Å; I38-L152 HydrophobicContact CD1-CG 4.4Å; I38-L156 HydrophobicContact CB-CD2 4.16Å; I38-L156 HydrophobicContact CD1-CD1 4.46Å; I38-L156 HydrophobicContact CG2-CD1 4.17Å; I38-L156 HydrophobicContact CG2-CD2 3.99Å; I38-L190 HydrophobicContact CG2-CD2 3.69Å
39S90.7Very high94.4Very high31 Ų3132.3 Ų32.322%0.21717%0.171CC..Hα-helixtrans-89.1-32.9-171.657.40000114.4V35 Q36 Q159V35-S39 WeakPolarHBondContact O-CB 3.4Å; V35-S39 PolarHBondContact O-N 3.39Å; V35-S39 PolarHBondContact O-OG 2.88Å; Q36-S39 PolarHBondContact O-N 2.84Å; S39-Q159 PolarHBondContact OG-NE2 2.93Å
40Q86.5Confident94.3Very high105 Ų10528.1 Ų28.149%0.49115%0.15SC..Hα-helixtrans-113-23.6-172.1-61175.1-1.900113.5Q36Q36-Q40 WeakPolarHBondContact O-CB 3.3Å; Q36-Q40 PolarHBondContact O-N 2.75Å
41N87.1Confident94.3Very high36 Ų3626.9 Ų26.919%0.19314%0.144CC..SBendtrans-116.923.4-173-62.7-37000113.3Q36 L37 G43Q36-N41 PolarHBondContact O-N 2.9Å; L37-N41 HydrophobicContact CD1-CB 4.22Å; L37-N41 CarbonylContact O-C 3.57Å; L37-N41 WeakPolarHBondContact O-CB 3.49Å; L37-N41 PolarHBondContact O-N 3.5Å; N41-G43 PolarHBondContact O-N 3.4Å
42D90.8Very high94.3Very high63 Ų6325.9 Ų25.934%0.33714%0.138SC..  trans52.831178.7-45.3-14.3000113.9V44 N61 A64 R67D42-V44 PolarHBondContact O-N 3.13Å; D42-N61 WeakPolarHBondContact CA-ND2 3.4Å; D42-N61 WeakPolarHBondContact CB-ND2 3.45Å; D42-N61 PolarHBondContact OD1-ND2 2.66Å; D42-A64 HydrophobicContact CB-CB 4.33Å; D42-A64 WeakPolarHBondContact O-CB 3.31Å; D42-R67 PolarHBondContact O-NH1 3.3Å
43G94.9Very high94.4Very high0 Ų020.3 Ų20.30%011%0.108CC..  trans-65.3126.6-168.900000113.7L37 N41 D217L37-G43 VanDerWaalsContact O-CA 3.3Å; L37-G43 WeakPolarHBondContact O-CA 3.36Å; L37-G43 PolarHBondContact O-N 3.15Å; N41-G43 PolarHBondContact O-N 3.4Å; G43-D217 WeakPolarHBondContact CA-OD2 3.17Å
44V96.5Very high94.6Very high0 Ų019.8 Ų19.80%010%0.104CC..  trans-97.9119166.2178.70000108.4D42 A56 C57 A64 R67 I68 I71 I216 D217D42-V44 PolarHBondContact O-N 3.13Å; V44-A56 WeakPolarHBondContact CA-O 3.33Å; V44-C57 HydrophobicContact CG2-CB 4.36Å; V44-A64 HydrophobicContact CG2-CB 4.26Å; V44-R67 HydrophobicContact CG2-CB 4.03Å; V44-I68 HydrophobicContact CG1-CD1 4.19Å; V44-I68 HydrophobicContact CG1-CG1 3.76Å; V44-I68 HydrophobicContact CG2-CG1 3.97Å; V44-I71 HydrophobicContact CG1-CD1 4.17Å; V44-I216 WeakPolarHBondContact O-CG2 3.29Å; V44-D217 PolarHBondContact N-OD2 3.47Å; V44-D217 WeakPolarHBondContact O-CB 3.45Å; V44-D217 PolarHBondContact O-N 3.06Å
45V97.6Very high94.6Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-117.2143-177.5-57.60000111.3L37 I38 L47 L55 A56 L218L37-V45 HydrophobicContact CD2-CG1 3.98Å; I38-V45 HydrophobicContact CD1-CG1 4.08Å; I38-V45 HydrophobicContact CD1-CG2 3.73Å; I38-V45 HydrophobicContact CG1-CG1 3.79Å; I38-V45 HydrophobicContact CG1-CG2 4.15Å; V45-L47 HydrophobicContact CB-CD2 4.41Å; V45-L47 HydrophobicContact CG2-CD1 4.13Å; V45-L47 HydrophobicContact CG2-CD2 3.84Å; V45-L47 HydrophobicContact CG2-CG 3.9Å; V45-L55 CarbonylContact O-C 3.57Å; V45-L55 WeakPolarHBondContact O-CA 3.37Å; V45-A56 HydrophobicContact CG2-CB 4.1Å; V45-A56 PolarHBondContact N-O 2.87Å; V45-A56 PolarHBondContact O-N 3.32Å; V45-L218 CarbonylContact C-O 3.46Å; V45-L218 VanDerWaalsContact CA-O 3.27Å; V45-L218 WeakPolarHBondContact CA-O 3.49Å; V45-L218 HydrophobicContact CG1-CB 4.02Å
46A97.9Very high94.7Very high0 Ų019.7 Ų19.70%010%0.104CC..EExtended strand (participates in β ladder)trans-95129.3167.600000109.8G54 L55 F209 I216 L218 I219 I220A46-G54 CarbonylContact C-O 3.51Å; A46-G54 WeakPolarHBondContact CA-O 3.2Å; A46-L55 HydrophobicContact CB-CD2 4.07Å; A46-F209 HydrophobicContact CB-CE2 3.88Å; A46-F209 HydrophobicContact CB-CZ 4.03Å; A46-I216 HydrophobicContact CB-CD1 4.34Å; A46-I216 HydrophobicContact CB-CG2 4.24Å; A46-L218 PolarHBondContact N-O 3.45Å; A46-I219 HydrophobicContact CB-CB 4.38Å; A46-I219 HydrophobicContact CB-CG1 4.1Å; A46-I219 HydrophobicContact CB-CG2 4.23Å; A46-I220 PolarHBondContact O-N 3.11Å
47L97.7Very high94.8Very high1 Ų116 Ų161%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-124.2139.5-173.5-56.8177.1000110.7V45 T49 Y53 G54 A56 F148 I149 L152 L190 I220V45-L47 HydrophobicContact CB-CD2 4.41Å; V45-L47 HydrophobicContact CG2-CD1 4.13Å; V45-L47 HydrophobicContact CG2-CD2 3.84Å; V45-L47 HydrophobicContact CG2-CG 3.9Å; L47-T49 PolarHBondContact O-N 2.91Å; L47-Y53 WeakPolarHBondContact O-CA 3.26Å; L47-G54 PolarHBondContact N-O 3.08Å; L47-G54 PolarHBondContact O-N 3.28Å; L47-A56 HydrophobicContact CD1-CB 3.68Å; L47-A56 HydrophobicContact CG-CB 4.35Å; L47-F148 HydrophobicContact CD2-CE1 4.09Å; L47-I149 HydrophobicContact CB-CD1 4.23Å; L47-I149 HydrophobicContact CB-CG1 4.47Å; L47-I149 HydrophobicContact CD1-CG1 4.35Å; L47-L152 HydrophobicContact CD1-CD2 4.24Å; L47-L152 HydrophobicContact CD2-CD2 4.23Å; L47-L190 HydrophobicContact CD1-CD1 4.32Å; L47-I220 HydrophobicContact CD2-CB 4.36Å; L47-I220 HydrophobicContact CD2-CD1 3.5Å; L47-I220 VanDerWaalsContact CD2-CD1 3.5Å; L47-I220 HydrophobicContact CD2-CG1 4.13Å
48P96.9Very high94.9Very high12 Ų1216 Ų168%0.0789%0.087CC..EExtended strand (participates in β ladder)trans-77119.3167.230.5-25.4000108.5V24 Y53 I149 I220V24-P48 HydrophobicContact CG2-CG 3.68Å; P48-Y53 HydrophobicContact CB-CD1 4.35Å; P48-Y53 HydrophobicContact CB-CE1 3.78Å; P48-Y53 HydrophobicContact CB-CE2 4.37Å; P48-Y53 HydrophobicContact CG-CE1 4.44Å; P48-I149 WeakPolarHBondContact O-CD1 3.28Å; P48-I220 VanDerWaalsContact CD-O 3.31Å; P48-I220 WeakPolarHBondContact CD-O 3.13Å; P48-I220 HydrophobicContact CG-CG2 4.44Å
49T96.4Very high94.8Very high14 Ų1416 Ų169%0.0869%0.087CC..  trans-93.6-178.8171.679.50000110.7L47 T51 I52 I149 L192L47-T49 PolarHBondContact O-N 2.91Å; T49-T51 PolarHBondContact O-N 3.23Å; T49-T51 PolarHBondContact OG1-N 2.86Å; T49-T51 PolarHBondContact OG1-OG1 3.02Å; T49-I52 WeakPolarHBondContact CB-O 3.29Å; T49-I52 WeakPolarHBondContact CG2-O 3.44Å; T49-I52 PolarHBondContact N-O 3.38Å; T49-I52 PolarHBondContact OG1-N 3.39Å; T49-I52 VanDerWaalsContact OG1-N 3.1Å; T49-I52 PolarHBondContact OG1-O 3.1Å; T49-I149 HydrophobicContact CG2-CD1 3.89Å; T49-L192 HydrophobicContact CG2-CD1 4.47Å; T49-L192 HydrophobicContact CG2-CD2 4.27Å
50D94Very high94.8Very high45 Ų4517.5 Ų17.524%0.2419%0.09CC..SBendtrans-71.7-0.416959.4-20.4000113.9G110 R142 P144 D145D50-G110 WeakPolarHBondContact OD2-CA 3.23Å; D50-R142 IonicContact OD1-CZ 2.87Å; D50-R142 IonicContact OD1-NE 3.23Å; D50-R142 IonicContact OD1-NH2 3.75Å; D50-R142 PolarHBondContact OD1-NH2 2.62Å; D50-R142 IonicContact OD2-NH2 2.8Å; D50-R142 PolarHBondContact OD2-NH2 2.96Å; D50-P144 WeakPolarHBondContact OD1-CB 3.42Å; D50-D145 HydrophobicContact CB-CB 4.36Å; D50-D145 PolarHBondContact OD2-N 3.25Å
51T94.8Very high95Very high12 Ų1213.3 Ų13.37%0.0747%0.07CC..SBendtrans-132-59.7-179.954.40000113.8T49 P111 R142 I225T49-T51 PolarHBondContact O-N 3.23Å; T49-T51 PolarHBondContact OG1-N 2.86Å; T49-T51 PolarHBondContact OG1-OG1 3.02Å; T51-P111 HydrophobicContact CG2-CB 3.46Å; T51-P111 VanDerWaalsContact CG2-CB 3.46Å; T51-R142 PolarHBondContact OG1-NH2 3.41Å; T51-I225 VanDerWaalsContact O-CG2 3.3Å; T51-I225 WeakPolarHBondContact O-CG2 3.43Å
52I95.3Very high95.1Very high14 Ų1414.2 Ų14.27%0.0728%0.077CC..SBendtrans-144.2165.5-179.357.5171.3000109.4T49 A203 I204 I225T49-I52 WeakPolarHBondContact CB-O 3.29Å; T49-I52 WeakPolarHBondContact CG2-O 3.44Å; T49-I52 PolarHBondContact N-O 3.38Å; T49-I52 PolarHBondContact OG1-N 3.39Å; T49-I52 VanDerWaalsContact OG1-N 3.1Å; T49-I52 PolarHBondContact OG1-O 3.1Å; I52-A203 WeakPolarHBondContact CB-O 3.41Å; I52-I204 HydrophobicContact CG2-CG2 4.33Å; I52-I225 VanDerWaalsContact C-CD1 3.43Å
53Y97Very high95.2Very high0 Ų015.6 Ų15.60%08%0.082CC..EExtended strand (participates in β ladder)trans-65.9142.4170.9-83.4-100.8000110.9L47 P48 A195 A203 I204 I206 F209 I220 N221 G222 G223 I225L47-Y53 WeakPolarHBondContact O-CA 3.26Å; P48-Y53 HydrophobicContact CB-CD1 4.35Å; P48-Y53 HydrophobicContact CB-CE1 3.78Å; P48-Y53 HydrophobicContact CB-CE2 4.37Å; P48-Y53 HydrophobicContact CG-CE1 4.44Å; Y53-A195 PolarHBondContact O-N 3.42Å; Y53-A203 PolarHBondContact N-O 3.26Å; Y53-I204 WeakPolarHBondContact CE2-O 3.35Å; Y53-I206 HydrophobicContact CD1-CG2 4.28Å; Y53-I206 HydrophobicContact CE1-CG2 3.55Å; Y53-F209 AromaticContact CD1-CE1 3.85Å; Y53-F209 HydrophobicContact CD1-CE1 3.85Å; Y53-F209 AromaticContact CD1-CZ 3.88Å; Y53-F209 HydrophobicContact CD1-CZ 3.88Å; Y53-F209 HydrophobicContact CD2-CE1 4.4Å; Y53-F209 AromaticContact CG-CE1 3.72Å; Y53-F209 HydrophobicContact CG-CE1 3.72Å; Y53-F209 HydrophobicContact CG-CZ 4.23Å; Y53-I220 WeakPolarHBondContact CE1-O 3.41Å; Y53-N221 PolarHBondContact OH-OD1 3.31Å; Y53-G222 PolarHBondContact OH-N 3.06Å; Y53-G223 PolarHBondContact OH-N 3.28Å; Y53-G223 PolarHBondContact OH-O 3.06Å; Y53-I225 HydrophobicContact CD2-CD1 3.55Å; Y53-I225 HydrophobicContact CD2-CG1 4.21Å; Y53-I225 HydrophobicContact CE2-CD1 3.73Å; Y53-I225 HydrophobicContact CE2-CG1 3.91Å; Y53-I225 HydrophobicContact CG-CD1 4.4Å
54G96.9Very high95.1Very high2 Ų215.6 Ų15.62%0.0218%0.082CC..EExtended strand (participates in β ladder)trans-128.1143.2179.400000112.9A46 L47 T193A46-G54 CarbonylContact C-O 3.51Å; A46-G54 WeakPolarHBondContact CA-O 3.2Å; L47-G54 PolarHBondContact N-O 3.08Å; L47-G54 PolarHBondContact O-N 3.28Å; G54-T193 CarbonylContact C-O 3.51Å; G54-T193 WeakPolarHBondContact CA-O 2.82Å
55L96.9Very high94.9Very high0 Ų015.6 Ų15.60%08%0.082CC..EExtended strand (participates in β ladder)trans-84.3133.2163.7-58.7177.6000109V45 A46 I68 I71 K72 L192 T193 A195 I212 I216V45-L55 CarbonylContact O-C 3.57Å; V45-L55 WeakPolarHBondContact O-CA 3.37Å; A46-L55 HydrophobicContact CB-CD2 4.07Å; L55-I68 HydrophobicContact CB-CD1 4.29Å; L55-I71 HydrophobicContact CD1-CG2 3.76Å; L55-K72 HydrophobicContact CD1-CG 4.38Å; L55-L192 WeakPolarHBondContact O-CA 3.04Å; L55-T193 HydrophobicContact CB-CG2 4.22Å; L55-T193 PolarHBondContact N-O 3.13Å; L55-T193 PolarHBondContact O-N 2.66Å; L55-A195 HydrophobicContact CD2-CB 3.95Å; L55-A195 HydrophobicContact CG-CB 3.98Å; L55-I212 HydrophobicContact CD1-CD1 4.06Å; L55-I212 HydrophobicContact CD2-CD1 4.32Å; L55-I216 HydrophobicContact CD2-CD1 3.59Å; L55-I216 HydrophobicContact CD2-CG1 3.92Å
56A97.7Very high94.6Very high0 Ų018.5 Ų18.50%010%0.095CC..EExtended strand (participates in β ladder)trans-134.4147-179.800000112.4V44 V45 L47 L190 V191 L192V44-A56 WeakPolarHBondContact CA-O 3.33Å; V45-A56 HydrophobicContact CG2-CB 4.1Å; V45-A56 PolarHBondContact N-O 2.87Å; V45-A56 PolarHBondContact O-N 3.32Å; L47-A56 HydrophobicContact CD1-CB 3.68Å; L47-A56 HydrophobicContact CG-CB 4.35Å; A56-L190 HydrophobicContact CB-CB 4.31Å; A56-L190 HydrophobicContact CB-CD1 4.16Å; A56-V191 WeakPolarHBondContact CA-O 3.42Å; A56-V191 WeakPolarHBondContact CB-O 3.44Å; A56-L192 HydrophobicContact CB-CD1 4.11Å
57C96.7Very high94.3Very high0 Ų020 Ų200%010%0.101CC..EExtended strand (participates in β ladder)trans-148166.5168.770.60000109.2V44 A64 I68 L190 V191V44-C57 HydrophobicContact CG2-CB 4.36Å; C57-A64 HydrophobicContact CB-CB 3.54Å; C57-I68 HydrophobicContact CB-CD1 3.83Å; C57-I68 VanDerWaalsContact SG-CD1 3.54Å; C57-L190 CarbonylContact O-C 3.57Å; C57-L190 WeakPolarHBondContact O-CA 3.26Å; C57-L190 WeakPolarHBondContact O-CD2 3.27Å; C57-V191 PolarHBondContact N-O 3.46Å; C57-V191 PolarHBondContact O-N 2.88Å
58S95Very high94.1Very high2 Ų220 Ų201%0.01410%0.101CC..EExtended strand (participates in β ladder)trans-60.6138.3173.9177.10000111.4F60 N61 H188S58-F60 PolarHBondContact O-N 3.47Å; S58-F60 WeakPolarHBondContact OG-CD2 3.49Å; S58-F60 PolarHBondContact OG-N 3.26Å; S58-F60 VanDerWaalsContact OG-N 3.14Å; S58-N61 PolarHBondContact O-N 3Å; S58-H188 WeakPolarHBondContact CB-NE2 3.39Å; S58-H188 PolarHBondContact OG-CE1 2.81Å; S58-H188 PolarHBondContact OG-NE2 3.26Å
59V93.1Very high93.8Very high0 Ų020.8 Ų20.80%010%0.102CC..THydrogen-bonded Turntrans-67.5-18.8171.676.20000112.7N61 I82 W93 L127 R130 L132 P189 V191V59-N61 PolarHBondContact O-N 2.86Å; V59-I82 HydrophobicContact CG2-CG2 4.27Å; V59-W93 HydrophobicContact CG1-CH2 3.93Å; V59-W93 HydrophobicContact CG1-CZ3 4.09Å; V59-L127 HydrophobicContact CG2-CD2 3.79Å; V59-R130 WeakPolarHBondContact O-CD 3.37Å; V59-L132 HydrophobicContact CG2-CD2 4.01Å; V59-P189 HydrophobicContact CB-CB 4.29Å; V59-P189 WeakPolarHBondContact CB-O 3.33Å; V59-P189 HydrophobicContact CG1-CB 3.94Å; V59-P189 HydrophobicContact CG1-CG 3.87Å; V59-P189 WeakPolarHBondContact CG1-O 3.41Å; V59-P189 PolarHBondContact N-O 3.25Å; V59-P189 VanDerWaalsContact N-O 3.07Å; V59-V191 HydrophobicContact CB-CG2 4.42Å; V59-V191 HydrophobicContact CG2-CG2 4.27Å
60F90.9Very high93.6Very high62 Ų6227.4 Ų27.427%0.27213%0.126SC..THydrogen-bonded Turntrans-84.2-2.2178.3-54.5-90.8000112.3S58 W93 R130 S183 H188S58-F60 PolarHBondContact O-N 3.47Å; S58-F60 WeakPolarHBondContact OG-CD2 3.49Å; S58-F60 PolarHBondContact OG-N 3.26Å; S58-F60 VanDerWaalsContact OG-N 3.14Å; F60-W93 HydrophobicContact CE1-CH2 4.23Å; F60-W93 AromaticContact CZ-CH2 3.81Å; F60-W93 HydrophobicContact CZ-CH2 3.81Å; F60-W93 HydrophobicContact CZ-CZ2 4.25Å; F60-R130 VanDerWaalsContact CD1-NE 3.27Å; F60-S183 VanDerWaalsContact CE1-OG 3.22Å; F60-S183 WeakPolarHBondContact CE1-OG 3.35Å; F60-H188 AromaticContact CD2-CD2 3.93Å; F60-H188 AromaticContact CD2-CE1 3.31Å; F60-H188 WeakPolarHBondContact CD2-CE1 3.37Å; F60-H188 AromaticContact CD2-CG 3.99Å; F60-H188 AromaticContact CD2-ND1 3.59Å; F60-H188 AromaticContact CD2-NE2 3.52Å; F60-H188 HydrophobicContact CE2-CB 4.19Å; F60-H188 AromaticContact CE2-CD2 3.84Å; F60-H188 AromaticContact CE2-CE1 3.62Å; F60-H188 AromaticContact CE2-CG 3.54Å; F60-H188 AromaticContact CE2-ND1 3.37Å; F60-H188 WeakPolarHBondContact CE2-ND1 3.47Å; F60-H188 AromaticContact CE2-NE2 3.9Å
61N90.7Very high93.4Very high16 Ų1626.1 Ų26.19%0.08612%0.119CC..  trans-11389.4-172.9-159.8-54.8000112.2D42 S58 V59 E63 A64 I65D42-N61 WeakPolarHBondContact CA-ND2 3.4Å; D42-N61 WeakPolarHBondContact CB-ND2 3.45Å; D42-N61 PolarHBondContact OD1-ND2 2.66Å; S58-N61 PolarHBondContact O-N 3Å; V59-N61 PolarHBondContact O-N 2.86Å; N61-E63 VanDerWaalsContact C-N 3.29Å; N61-E63 PolarHBondContact O-N 3.1Å; N61-E63 PolarHBondContact OD1-N 2.86Å; N61-A64 HydrophobicContact CB-CB 3.87Å; N61-A64 PolarHBondContact O-N 2.71Å; N61-A64 WeakPolarHBondContact OD1-CB 3.42Å; N61-A64 PolarHBondContact OD1-N 2.82Å; N61-I65 VanDerWaalsContact O-CG1 3.3Å; N61-I65 WeakPolarHBondContact O-CG1 3.33Å; N61-I65 PolarHBondContact O-N 2.87Å
62T90Very high93Very high55 Ų5525.7 Ų25.734%0.33712%0.116SC..Hα-helixtrans-58-40.2-178.9-52.20000112.3A64 I65 E66 L131T62-A64 PolarHBondContact O-N 3.48Å; T62-I65 PolarHBondContact O-N 2.85Å; T62-E66 WeakPolarHBondContact O-CG 3.27Å; T62-E66 PolarHBondContact O-N 2.79Å; T62-L131 HydrophobicContact CG2-CD1 3.94Å
63E91.4Very high92.2Very high93 Ų9328 Ų2844%0.43514%0.143SC..Hα-helixtrans-64.2-43.1178.9-179.556.9-148.500111.1N61 I65 E66 R67 R70N61-E63 VanDerWaalsContact C-N 3.29Å; N61-E63 PolarHBondContact O-N 3.1Å; N61-E63 PolarHBondContact OD1-N 2.86Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 2.81Å; E63-E66 PolarHBondContact O-N 3.15Å; E63-R67 VanDerWaalsContact O-CG 3.26Å; E63-R67 WeakPolarHBondContact O-CG 3.4Å; E63-R67 PolarHBondContact O-N 3.4Å; E63-R70 IonicContact OE1-NH2 2.87Å; E63-R70 PolarHBondContact OE1-NH2 3.2Å
64A93.7Very high90.8Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-64.6-36.5175.900000112.6D42 V44 C57 N61 T62 R67 I68D42-A64 HydrophobicContact CB-CB 4.33Å; D42-A64 WeakPolarHBondContact O-CB 3.31Å; V44-A64 HydrophobicContact CG2-CB 4.26Å; C57-A64 HydrophobicContact CB-CB 3.54Å; N61-A64 HydrophobicContact CB-CB 3.87Å; N61-A64 PolarHBondContact O-N 2.71Å; N61-A64 WeakPolarHBondContact OD1-CB 3.42Å; N61-A64 PolarHBondContact OD1-N 2.82Å; T62-A64 PolarHBondContact O-N 3.48Å; A64-R67 WeakPolarHBondContact O-CB 3.08Å; A64-R67 PolarHBondContact O-N 3.2Å; A64-I68 PolarHBondContact O-N 3.3Å
65I92.4Very high89.4Confident0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-62.5-46.1173.8-65.6170.6000110.3N61 T62 E63 R67 I68 R69 M80 L132 V191N61-I65 VanDerWaalsContact O-CG1 3.3Å; N61-I65 WeakPolarHBondContact O-CG1 3.33Å; N61-I65 PolarHBondContact O-N 2.87Å; T62-I65 PolarHBondContact O-N 2.85Å; E63-I65 VanDerWaalsContact C-N 3.33Å; E63-I65 PolarHBondContact O-N 2.81Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 3.33Å; I65-I68 PolarHBondContact O-N 2.87Å; I65-R69 PolarHBondContact O-N 2.91Å; I65-M80 HydrophobicContact CG2-CE 3.82Å; I65-L132 HydrophobicContact CG2-CD1 4.14Å; I65-V191 HydrophobicContact CD1-CG2 4.05Å; I65-V191 HydrophobicContact CG1-CG2 3.93Å
66E90.8Very high87.7Confident60 Ų6041 Ų4128%0.2821%0.21SC..Hα-helixtrans-64.4-37175.5-70.3-50.3140.700112.5T62 E63 R69 R70T62-E66 WeakPolarHBondContact O-CG 3.27Å; T62-E66 PolarHBondContact O-N 2.79Å; E63-E66 PolarHBondContact O-N 3.15Å; E66-R69 PolarHBondContact O-N 3.24Å; E66-R69 IonicContact OE1-CZ 3.42Å; E66-R69 IonicContact OE1-NH1 3.25Å; E66-R69 PolarHBondContact OE1-NH1 3.14Å; E66-R69 WeakPolarHBondContact OE2-CD 2.95Å; E66-R70 WeakPolarHBondContact O-CB 3.3Å; E66-R70 WeakPolarHBondContact O-CG 3.35Å; E66-R70 PolarHBondContact O-N 3.39Å; E66-R70 PolarHBondContact O-NE 3.31Å
67R92.8Very high86.1Confident33 Ų3346.8 Ų46.813%0.12525%0.245CC..Hα-helixtrans-59-47.3171.7-72.5172.766.9-164.51.9110.8D42 V44 E63 A64 I65 R69 R70 I71 S215 D217D42-R67 PolarHBondContact O-NH1 3.3Å; V44-R67 HydrophobicContact CG2-CB 4.03Å; E63-R67 VanDerWaalsContact O-CG 3.26Å; E63-R67 WeakPolarHBondContact O-CG 3.4Å; E63-R67 PolarHBondContact O-N 3.4Å; A64-R67 WeakPolarHBondContact O-CB 3.08Å; A64-R67 PolarHBondContact O-N 3.2Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 3.33Å; R67-R69 PolarHBondContact O-N 2.81Å; R67-R70 PolarHBondContact O-N 3.1Å; R67-I71 WeakPolarHBondContact O-CG1 3.33Å; R67-I71 PolarHBondContact O-N 2.95Å; R67-S215 PolarHBondContact NH2-O 3.2Å; R67-D217 IonicContact CZ-OD1 2.81Å; R67-D217 IonicContact CZ-OD2 2.85Å; R67-D217 VanDerWaalsContact CZ-OD2 3.25Å; R67-D217 IonicContact NH1-OD1 2.62Å; R67-D217 IonicContact NH1-OD2 3.94Å; R67-D217 PolarHBondContact NH1-OD2 3.3Å; R67-D217 IonicContact NH2-OD1 2.7Å; R67-D217 PolarHBondContact NH2-OD1 3.08Å; R67-D217 IonicContact NH2-OD2 3.55Å; R67-D217 PolarHBondContact NH2-OD2 3.15Å
68I93.2Very high85.3Confident0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-60.9-43.7176.2-70.3-177.2000111.3V44 L55 C57 A64 I65 R70 I71 K72 M80 T193V44-I68 HydrophobicContact CG1-CD1 4.19Å; V44-I68 HydrophobicContact CG1-CG1 3.76Å; V44-I68 HydrophobicContact CG2-CG1 3.97Å; L55-I68 HydrophobicContact CB-CD1 4.29Å; C57-I68 HydrophobicContact CB-CD1 3.83Å; C57-I68 VanDerWaalsContact SG-CD1 3.54Å; A64-I68 PolarHBondContact O-N 3.3Å; I65-I68 PolarHBondContact O-N 2.87Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 3.46Å; I68-I71 PolarHBondContact O-N 3.44Å; I68-K72 HydrophobicContact CG2-CD 4.42Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.13Å; I68-K72 VanDerWaalsContact O-N 3.08Å; I68-M80 HydrophobicContact CG2-CE 4.43Å; I68-M80 HydrophobicContact CG2-SD 3.61Å; I68-T193 HydrophobicContact CG2-CG2 3.61Å
69R90.4Very high85Confident28 Ų2854.6 Ų54.611%0.10629%0.285CS..Hα-helixtrans-56.6-47.7176.5-74174.8170.3135-0.2111.5I65 E66 R67 K72 G73 R74 M80 L131I65-R69 PolarHBondContact O-N 2.91Å; E66-R69 PolarHBondContact O-N 3.24Å; E66-R69 IonicContact OE1-CZ 3.42Å; E66-R69 IonicContact OE1-NH1 3.25Å; E66-R69 PolarHBondContact OE1-NH1 3.14Å; E66-R69 WeakPolarHBondContact OE2-CD 2.95Å; R67-R69 PolarHBondContact O-N 2.81Å; R69-K72 PolarHBondContact O-N 2.84Å; R69-G73 PolarHBondContact O-N 3.5Å; R69-R74 PolarHBondContact O-N 3.01Å; R69-M80 HydrophobicContact CG-CE 4.01Å; R69-L131 PolarHBondContact NH1-O 2.56Å; R69-L131 PolarHBondContact NH2-O 2.91Å
70R91.4Very high85Confident154 Ų15454.9 Ų54.958%0.58129%0.286SS*.Hα-helixtrans-61.4-48.2176.1-74.7-177.6-75.9142.9-16.4112.5E63 E66 R67 I68 K72 G73E63-R70 IonicContact OE1-NH2 2.87Å; E63-R70 PolarHBondContact OE1-NH2 3.2Å; E66-R70 WeakPolarHBondContact O-CB 3.3Å; E66-R70 WeakPolarHBondContact O-CG 3.35Å; E66-R70 PolarHBondContact O-N 3.39Å; E66-R70 PolarHBondContact O-NE 3.31Å; R67-R70 PolarHBondContact O-N 3.1Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 3.46Å; R70-K72 PolarHBondContact O-N 3.39Å; R70-G73 PolarHBondContact O-N 2.83Å; R70-G73 VanDerWaalsContact O-N 3.1Å
71I90.7Very high85.2Confident18 Ų1852.9 Ų52.99%0.09228%0.282CS..Hα-helixtrans-55.2-43.1179.2-71.8166000110.8V44 L55 R67 I68 G73 L197 I212V44-I71 HydrophobicContact CG1-CD1 4.17Å; L55-I71 HydrophobicContact CD1-CG2 3.76Å; R67-I71 WeakPolarHBondContact O-CG1 3.33Å; R67-I71 PolarHBondContact O-N 2.95Å; I68-I71 PolarHBondContact O-N 3.44Å; I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.17Å; I71-L197 WeakPolarHBondContact O-CD2 3.42Å; I71-I212 HydrophobicContact CG2-CB 3.98Å; I71-I212 HydrophobicContact CG2-CD1 3.97Å; I71-I212 HydrophobicContact CG2-CG2 3.91Å
72K85.5Confident85.5Confident2 Ų252.1 Ų52.11%0.00928%0.278CS..THydrogen-bonded Turntrans-77.8-10.1-176.3-64.6-161.468.5146.80114.5L55 I68 R69 R70 R74 T193 S194 N196 S198L55-K72 HydrophobicContact CD1-CG 4.38Å; I68-K72 HydrophobicContact CG2-CD 4.42Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.13Å; I68-K72 VanDerWaalsContact O-N 3.08Å; R69-K72 PolarHBondContact O-N 2.84Å; R70-K72 PolarHBondContact O-N 3.39Å; K72-R74 HydrophobicContact CB-CB 4.36Å; K72-R74 HydrophobicContact CB-CG 3.72Å; K72-R74 VanDerWaalsContact CE-NE 3.32Å; K72-R74 PolarHBondContact O-N 3.48Å; K72-T193 HydrophobicContact CD-CG2 3.47Å; K72-T193 VanDerWaalsContact CD-CG2 3.47Å; K72-T193 PolarHBondContact NZ-OG1 3.46Å; K72-S194 PolarHBondContact NZ-O 2.81Å; K72-S194 PolarHBondContact NZ-OG 3.26Å; K72-N196 WeakPolarHBondContact CE-O 3.47Å; K72-S198 VanDerWaalsContact O-CB 3.26Å; K72-S198 WeakPolarHBondContact O-CB 3.38Å; K72-S198 PolarHBondContact O-N 3.22Å
73G80.1Confident85.8Confident63 Ų6349.6 Ų49.665%0.64926%0.262SS*.THydrogen-bonded Turntrans57.732.4-169.800000112.4R69 R70 I71R69-G73 PolarHBondContact O-N 3.5Å; R70-G73 PolarHBondContact O-N 2.83Å; R70-G73 VanDerWaalsContact O-N 3.1Å; I71-G73 VanDerWaalsContact C-N 3.27Å; I71-G73 PolarHBondContact O-N 3.17Å
74R66.7Low86.1Confident38 Ų3845.1 Ų45.114%0.14324%0.241CC..  trans-79.6149.3-176.6-84.3179.2174.6-160-0.5111R69 K72 P79 T193R69-R74 PolarHBondContact O-N 3.01Å; K72-R74 HydrophobicContact CB-CB 4.36Å; K72-R74 HydrophobicContact CB-CG 3.72Å; K72-R74 VanDerWaalsContact CE-NE 3.32Å; K72-R74 PolarHBondContact O-N 3.48Å; R74-P79 PolarHBondContact NH1-O 3.41Å; R74-T193 PolarHBondContact NH1-OG1 3.04Å; R74-T193 PolarHBondContact NH2-OG1 3.23Å
75S66.7Low86.3Confident74 Ų7445.6 Ų45.652%0.51724%0.243SC..  trans-59.1140.6154.863.80000108.7T77 K78S75-T77 PolarHBondContact O-N 2.77Å; S75-T77 PolarHBondContact OG-OG1 3.14Å; S75-K78 PolarHBondContact O-N 3.38Å; S75-K78 VanDerWaalsContact O-N 3.16Å
76E61.3Low86.4Confident162 Ų16249.1 Ų49.176%0.75726%0.26SS*.THydrogen-bonded Turntrans-54.2-19.9177.7-66.8178177.500113
77T65.4Low86.7Confident122 Ų12247.7 Ų47.775%0.74826%0.255SS*.THydrogen-bonded Turntrans-81.7-16.3-175.758.60000115.2S75 P79S75-T77 PolarHBondContact O-N 2.77Å; S75-T77 PolarHBondContact OG-OG1 3.14Å; T77-P79 VanDerWaalsContact O-CD 3.26Å; T77-P79 WeakPolarHBondContact O-CD 3.44Å
78K79.9Confident86.8Confident109 Ų10949.5 Ų49.547%0.47427%0.273SS..SBendtrans-80.2114.5-176.3-172.5167.6-175.4166.90110.8S75S75-K78 PolarHBondContact O-N 3.38Å; S75-K78 VanDerWaalsContact O-N 3.16Å
79P88.6Confident86.9Confident57 Ų5750 Ų5037%0.3728%0.275SS..  trans-64.2152.6-174.125.8-34.5000112.7R74 T77 N133R74-P79 PolarHBondContact NH1-O 3.41Å; T77-P79 VanDerWaalsContact O-CD 3.26Å; T77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-N133 VanDerWaalsContact CA-OD1 3.23Å; P79-N133 WeakPolarHBondContact CA-OD1 3.49Å; P79-N133 HydrophobicContact CB-CB 4.25Å
80M92.5Very high87.2Confident6 Ų648.7 Ų48.73%0.0327%0.27CS..  trans-115.5141.4171.3-65.5-173.3-71.400110I65 I68 R69 L132 N133 V191 T193I65-M80 HydrophobicContact CG2-CE 3.82Å; I68-M80 HydrophobicContact CG2-CE 4.43Å; I68-M80 HydrophobicContact CG2-SD 3.61Å; R69-M80 HydrophobicContact CG-CE 4.01Å; M80-L132 HydrophobicContact CB-CD1 4.45Å; M80-L132 HydrophobicContact CE-CD1 4.08Å; M80-N133 PolarHBondContact N-OD1 2.95Å; M80-N133 PolarHBondContact O-ND2 2.89Å; M80-V191 HydrophobicContact CB-CG1 3.74Å; M80-V191 HydrophobicContact CE-CG1 3.8Å; M80-V191 HydrophobicContact CG-CG1 4.34Å; M80-V191 HydrophobicContact SD-CG1 3.75Å; M80-T193 HydrophobicContact SD-CG2 4.02Å
81A95.5Very high87.3Confident21 Ų2144.1 Ų44.117%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-74.5155.5175.200000110.2T113 G140 L192A81-T113 HydrophobicContact CB-CG2 4.19Å; A81-G140 CarbonylContact C-O 3.52Å; A81-G140 WeakPolarHBondContact CA-O 3.41Å; A81-G140 WeakPolarHBondContact CB-O 3.44Å; A81-L192 PolarHBondContact O-N 3.43Å
82I96.9Very high87.5Confident0 Ų045.9 Ų45.90%027%0.27CS..EExtended strand (participates in β ladder)trans-97.2147.6161.864.2169.7000110V59 W93 L127 L132 V139 G140 I141 R142 P189 L190V59-I82 HydrophobicContact CG2-CG2 4.27Å; I82-W93 HydrophobicContact CD1-CB 3.73Å; I82-W93 HydrophobicContact CD1-CD2 4.18Å; I82-W93 HydrophobicContact CD1-CE3 4.41Å; I82-W93 HydrophobicContact CD1-CG 3.85Å; I82-L127 HydrophobicContact CD1-CD1 4.39Å; I82-L127 HydrophobicContact CD1-CD2 4.49Å; I82-L127 HydrophobicContact CG2-CD2 4.18Å; I82-L132 HydrophobicContact CG2-CD2 3.48Å; I82-L132 VanDerWaalsContact CG2-CD2 3.48Å; I82-V139 HydrophobicContact CD1-CG2 4.31Å; I82-V139 HydrophobicContact CG1-CG2 4.02Å; I82-G140 PolarHBondContact N-O 3.32Å; I82-I141 HydrophobicContact CD1-CD1 3.51Å; I82-I141 HydrophobicContact CG1-CD1 3.38Å; I82-R142 PolarHBondContact O-N 3.3Å; I82-P189 HydrophobicContact CB-CB 4.16Å; I82-P189 HydrophobicContact CD1-CB 4.31Å; I82-P189 HydrophobicContact CD1-CG 4.47Å; I82-L190 CarbonylContact C-O 3.37Å; I82-L190 VanDerWaalsContact CA-O 3.28Å; I82-L190 WeakPolarHBondContact CA-O 3.23Å
83C97.1Very high87.9Confident1 Ų145.8 Ų45.81%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-112.2127.3-179.6-173.60000109.1R142 P144 I153 P189 L190 L192C83-R142 CarbonylContact C-O 3.53Å; C83-R142 WeakPolarHBondContact CA-O 3.48Å; C83-P144 WeakPolarHBondContact SG-CD 3.3Å; C83-I153 HydrophobicContact CB-CD1 4.19Å; C83-I153 WeakPolarHBondContact SG-CD1 3.4Å; C83-P189 WeakPolarHBondContact O-CA 3.18Å; C83-L190 HydrophobicContact CB-CB 4.27Å; C83-L190 PolarHBondContact N-O 3.17Å; C83-L190 PolarHBondContact O-N 2.87Å; C83-L192 HydrophobicContact CB-CB 3.76Å; C83-L192 HydrophobicContact CB-CD2 3.96Å; C83-L192 HydrophobicContact CB-CG 4.46Å
84L97.2Very high88.5Confident0 Ų042.8 Ų42.80%024%0.238CC..  trans-117.6165.2178.4-63.2167.7000110.2H89 I90 I141 R142 I143 P189L84-H89 HydrophobicContact CD1-CB 4.36Å; L84-H89 HydrophobicContact CD2-CB 4.24Å; L84-I90 HydrophobicContact CD1-CB 4.36Å; L84-I90 HydrophobicContact CD1-CG1 3.71Å; L84-I141 HydrophobicContact CD1-CG2 4.05Å; L84-R142 PolarHBondContact N-O 3.2Å; L84-I143 HydrophobicContact CB-CD1 4.33Å; L84-I143 HydrophobicContact CB-CG1 4.04Å; L84-I143 WeakPolarHBondContact O-CG2 3.5Å; L84-P189 HydrophobicContact CD2-CB 3.81Å; L84-P189 HydrophobicContact CD2-CG 3.67Å
85D96.5Very high89.9Confident9 Ų943.3 Ų43.35%0.04824%0.244CC..SBendtrans-89.5-26174.954.7-19.4000113.4H89 R150 I153D85-H89 IonicContact OD1-CE1 2.59Å; D85-H89 PolarHBondContact OD1-CE1 3.01Å; D85-H89 VanDerWaalsContact OD1-CE1 3.23Å; D85-H89 IonicContact OD1-CG 2.71Å; D85-H89 IonicContact OD1-ND1 3.98Å; D85-H89 PolarHBondContact OD1-ND1 2.8Å; D85-H89 IonicContact OD2-CE1 2.9Å; D85-H89 PolarHBondContact OD2-CE1 3.47Å; D85-H89 IonicContact OD2-ND1 3.31Å; D85-R150 PolarHBondContact O-NE 3.31Å; D85-R150 PolarHBondContact O-NH2 3.42Å; D85-I153 HydrophobicContact CB-CB 3.9Å; D85-I153 HydrophobicContact CB-CG2 3.68Å
86Q95.8Very high91.2Very high75 Ų7541.6 Ų41.635%0.3523%0.23SC..  trans-154.3153.4-178.158.9-179.54.400113.7S88 H89Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.44Å; Q86-S88 PolarHBondContact NE2-OG 3.23Å; Q86-S88 PolarHBondContact O-N 2.99Å; Q86-H89 HydrophobicContact CG-CB 4.48Å; Q86-H89 WeakPolarHBondContact CG-ND1 3.43Å; Q86-H89 PolarHBondContact NE2-CE1 2.87Å; Q86-H89 PolarHBondContact NE2-NE2 3.06Å; Q86-H89 PolarHBondContact O-N 2.95Å
87V97Very high92.8Very high30 Ų3042.3 Ų42.318%0.18223%0.231CC..G310 helixtrans-63.2-34.1-176.4173.50000112.3H89 I90 L104 L108 I143V87-H89 PolarHBondContact O-N 3.31Å; V87-H89 VanDerWaalsContact O-N 3.15Å; V87-I90 HydrophobicContact CB-CD1 4.36Å; V87-I90 HydrophobicContact CG1-CD1 4.1Å; V87-I90 HydrophobicContact CG2-CD1 4.48Å; V87-I90 WeakPolarHBondContact O-CB 3.11Å; V87-I90 VanDerWaalsContact O-CG1 3.24Å; V87-I90 WeakPolarHBondContact O-CG1 3.46Å; V87-I90 PolarHBondContact O-N 3.43Å; V87-L104 HydrophobicContact CG1-CB 3.72Å; V87-L108 HydrophobicContact CG2-CB 3.94Å; V87-L108 WeakPolarHBondContact CG2-O 3.37Å; V87-I143 HydrophobicContact CB-CD1 4.44Å; V87-I143 HydrophobicContact CG2-CD1 3.81Å
88S95.1Very high94.2Very high70 Ų7040.6 Ų40.649%0.4922%0.217SC..G310 helixtrans-62.8-19.7178.852.80000113.9Q86Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.44Å; Q86-S88 PolarHBondContact NE2-OG 3.23Å; Q86-S88 PolarHBondContact O-N 2.99Å
89H95.3Very high95.1Very high10 Ų1036.4 Ų36.45%0.04620%0.2CC..G310 helixtrans-80.4-19.8175.4-70.7159.5000113L84 D85 Q86 V87 S91 H92 N157 G186L84-H89 HydrophobicContact CD1-CB 4.36Å; L84-H89 HydrophobicContact CD2-CB 4.24Å; D85-H89 IonicContact OD1-CE1 2.59Å; D85-H89 PolarHBondContact OD1-CE1 3.01Å; D85-H89 VanDerWaalsContact OD1-CE1 3.23Å; D85-H89 IonicContact OD1-CG 2.71Å; D85-H89 IonicContact OD1-ND1 3.98Å; D85-H89 PolarHBondContact OD1-ND1 2.8Å; D85-H89 IonicContact OD2-CE1 2.9Å; D85-H89 PolarHBondContact OD2-CE1 3.47Å; D85-H89 IonicContact OD2-ND1 3.31Å; Q86-H89 HydrophobicContact CG-CB 4.48Å; Q86-H89 WeakPolarHBondContact CG-ND1 3.43Å; Q86-H89 PolarHBondContact NE2-CE1 2.87Å; Q86-H89 PolarHBondContact NE2-NE2 3.06Å; Q86-H89 PolarHBondContact O-N 2.95Å; V87-H89 PolarHBondContact O-N 3.31Å; V87-H89 VanDerWaalsContact O-N 3.15Å; H89-S91 VanDerWaalsContact C-N 3.33Å; H89-S91 PolarHBondContact O-N 2.84Å; H89-H92 WeakPolarHBondContact O-CB 3.26Å; H89-H92 PolarHBondContact O-N 3.49Å; H89-H92 VanDerWaalsContact O-N 3.09Å; H89-H92 PolarHBondContact O-ND1 2.89Å; H89-N157 PolarHBondContact CE1-ND2 2.73Å; H89-G186 WeakPolarHBondContact CB-O 3.44Å
90I96.1Very high95.4Very high1 Ų135.8 Ų35.81%0.00520%0.196CC..G310 helixtrans-56.9-44.4-172.4-62.3178000112.2L84 V87 H92 W93 C94 T96 L104 L108 L116 I141 I143L84-I90 HydrophobicContact CD1-CB 4.36Å; L84-I90 HydrophobicContact CD1-CG1 3.71Å; V87-I90 HydrophobicContact CB-CD1 4.36Å; V87-I90 HydrophobicContact CG1-CD1 4.1Å; V87-I90 HydrophobicContact CG2-CD1 4.48Å; V87-I90 WeakPolarHBondContact O-CB 3.11Å; V87-I90 VanDerWaalsContact O-CG1 3.24Å; V87-I90 WeakPolarHBondContact O-CG1 3.46Å; V87-I90 PolarHBondContact O-N 3.43Å; I90-H92 PolarHBondContact O-N 2.82Å; I90-W93 PolarHBondContact O-N 3.34Å; I90-C94 VanDerWaalsContact CG2-SG 3.53Å; I90-C94 PolarHBondContact O-N 3.31Å; I90-C94 PolarHBondContact O-SG 3.47Å; I90-T96 HydrophobicContact CG2-CG2 3.82Å; I90-L104 HydrophobicContact CB-CD1 4.5Å; I90-L104 HydrophobicContact CD1-CB 4.35Å; I90-L104 HydrophobicContact CD1-CD1 4.06Å; I90-L104 HydrophobicContact CG2-CD1 4.11Å; I90-L108 HydrophobicContact CD1-CD1 3.75Å; I90-L116 HydrophobicContact CG2-CD1 3.62Å; I90-I141 HydrophobicContact CD1-CG2 3.89Å; I90-I141 HydrophobicContact CG1-CG2 3.89Å; I90-I141 HydrophobicContact CG2-CG1 4.27Å; I90-I141 HydrophobicContact CG2-CG2 4.43Å; I90-I143 HydrophobicContact CD1-CD1 4.1Å; I90-I143 HydrophobicContact CG1-CD1 4.4Å
91S94.6Very high95.6Very high58 Ų5842.4 Ų42.441%0.40624%0.237SC..G310 helixtrans-65.1-8-177.261.50000114.5H89 F119H89-S91 VanDerWaalsContact C-N 3.33Å; H89-S91 PolarHBondContact O-N 2.84Å; S91-F119 WeakPolarHBondContact O-CZ 3.49Å
92H93Very high95.7Very high56 Ų5642.9 Ų42.926%0.25924%0.244SC..G310 helixtrans-87.4-16.3173.3-62.385.4000112.7H89 I90 S185 G186H89-H92 WeakPolarHBondContact O-CB 3.26Å; H89-H92 PolarHBondContact O-N 3.49Å; H89-H92 VanDerWaalsContact O-N 3.09Å; H89-H92 PolarHBondContact O-ND1 2.89Å; I90-H92 PolarHBondContact O-N 2.82Å; H92-S185 PolarHBondContact CD2-OG 3.04Å; H92-S185 VanDerWaalsContact CD2-OG 3.27Å; H92-S185 PolarHBondContact NE2-OG 2.95Å; H92-G186 VanDerWaalsContact CB-CA 3.45Å
93W93.8Very high95.7Very high0 Ų042.9 Ų42.90%024%0.244CC..THydrogen-bonded Turntrans-112.1-14.1-173.7-63.994.8000113.7V59 F60 I82 I90 P126 L127 I182 G186 P189V59-W93 HydrophobicContact CG1-CH2 3.93Å; V59-W93 HydrophobicContact CG1-CZ3 4.09Å; F60-W93 HydrophobicContact CE1-CH2 4.23Å; F60-W93 AromaticContact CZ-CH2 3.81Å; F60-W93 HydrophobicContact CZ-CH2 3.81Å; F60-W93 HydrophobicContact CZ-CZ2 4.25Å; I82-W93 HydrophobicContact CD1-CB 3.73Å; I82-W93 HydrophobicContact CD1-CD2 4.18Å; I82-W93 HydrophobicContact CD1-CE3 4.41Å; I82-W93 HydrophobicContact CD1-CG 3.85Å; I90-W93 PolarHBondContact O-N 3.34Å; W93-P126 HydrophobicContact CD2-CG 4.36Å; W93-P126 HydrophobicContact CE3-CB 4.03Å; W93-P126 HydrophobicContact CE3-CG 3.68Å; W93-P126 HydrophobicContact CZ3-CB 3.84Å; W93-P126 HydrophobicContact CZ3-CG 4.04Å; W93-L127 HydrophobicContact CE3-CD2 3.52Å; W93-L127 HydrophobicContact CE3-CG 4.05Å; W93-L127 HydrophobicContact CZ3-CD2 3.8Å; W93-I182 HydrophobicContact CH2-CG2 4.18Å; W93-I182 HydrophobicContact CZ2-CG2 4.16Å; W93-G186 PolarHBondContact NE1-O 3.23Å; W93-P189 HydrophobicContact CD2-CG 3.62Å; W93-P189 HydrophobicContact CE3-CG 4.02Å; W93-P189 HydrophobicContact CG-CG 4.34Å; W93-P189 HydrophobicContact CH2-CG 3.54Å; W93-P189 HydrophobicContact CZ2-CG 3.12Å; W93-P189 HydrophobicContact CZ3-CG 3.96Å
94C94.2Very high95.8Very high0 Ų043.6 Ų43.60%025%0.247CC..SBendtrans-159.1165.1-179.5560000112.2I90 T96 L116 P117 F119 V139I90-C94 VanDerWaalsContact CG2-SG 3.53Å; I90-C94 PolarHBondContact O-N 3.31Å; I90-C94 PolarHBondContact O-SG 3.47Å; C94-T96 PolarHBondContact O-N 2.68Å; C94-L116 HydrophobicContact CB-CB 4.26Å; C94-P117 VanDerWaalsContact CB-O 3.32Å; C94-P117 WeakPolarHBondContact CB-O 3.37Å; C94-F119 VanDerWaalsContact C-CZ 3.4Å; C94-F119 WeakPolarHBondContact O-CE1 3.3Å; C94-F119 VanDerWaalsContact O-CZ 3.25Å; C94-F119 WeakPolarHBondContact O-CZ 3.34Å; C94-V139 HydrophobicContact CB-CG1 3.47Å; C94-V139 VanDerWaalsContact CB-CG1 3.47Å
95D94.7Very high95.9Very high48 Ų4847.1 Ų47.126%0.25727%0.272SS..  trans-75.5118175.9-175.8-0.2000110.1K97 P117 F119D95-K97 WeakPolarHBondContact OD1-CB 3.46Å; D95-K97 PolarHBondContact OD1-N 3.1Å; D95-P117 HydrophobicContact CB-CG 4.16Å; D95-P117 PolarHBondContact N-O 2.68Å; D95-P117 WeakPolarHBondContact O-CD 3.19Å; D95-P117 WeakPolarHBondContact O-CG 3.48Å; D95-F119 HydrophobicContact CB-CD1 4Å; D95-F119 HydrophobicContact CB-CE1 4.2Å
96T95.9Very high95.9Very high38 Ų3849 Ų4923%0.23328%0.282CS..  trans-113.38.9176.361.40000112.6I90 C94 N98 I99 L104 L116I90-T96 HydrophobicContact CG2-CG2 3.82Å; C94-T96 PolarHBondContact O-N 2.68Å; T96-N98 PolarHBondContact O-N 2.8Å; T96-N98 VanDerWaalsContact O-N 3.17Å; T96-I99 WeakPolarHBondContact O-CB 3.23Å; T96-I99 PolarHBondContact O-N 3.1Å; T96-I99 VanDerWaalsContact O-N 3.07Å; T96-L104 HydrophobicContact CG2-CD1 4.11Å; T96-L116 HydrophobicContact CG2-CD1 4.32Å
97K94.9Very high96Very high177 Ų17745.8 Ų45.877%0.7727%0.267SS*.THydrogen-bonded Turntrans-56.5-36.5-171.5-178.6-179.4175.3-177.10113.2D95D95-K97 WeakPolarHBondContact OD1-CB 3.46Å; D95-K97 PolarHBondContact OD1-N 3.1Å
98N94.7Very high96.1Very high87 Ų8744.4 Ų44.447%0.46526%0.259SS..THydrogen-bonded Turntrans-98.89.8-176.4-64.7-21.3000113.4T96 D250T96-N98 PolarHBondContact O-N 2.8Å; T96-N98 VanDerWaalsContact O-N 3.17Å; N98-D250 HydrophobicContact CB-CB 4.03Å
99I97.1Very high96.2Very high21 Ų2143.9 Ų43.911%0.10825%0.253CS..SBendtrans-88.6126.4179.5-55.9-58.7000109.1T96 T101 L103 L104 L116 L246 C249T96-I99 WeakPolarHBondContact O-CB 3.23Å; T96-I99 PolarHBondContact O-N 3.1Å; T96-I99 VanDerWaalsContact O-N 3.07Å; I99-T101 PolarHBondContact O-N 2.87Å; I99-L103 HydrophobicContact CG2-CB 4.24Å; I99-L103 HydrophobicContact CG2-CD2 4.17Å; I99-L104 HydrophobicContact CG2-CD1 4.23Å; I99-L104 HydrophobicContact CG2-CD2 4.03Å; I99-L104 HydrophobicContact CG2-CG 3.8Å; I99-L116 HydrophobicContact CD1-CD2 3.48Å; I99-L116 VanDerWaalsContact CD1-CD2 3.48Å; I99-L116 HydrophobicContact CG1-CD2 3.8Å; I99-L246 HydrophobicContact CD1-CB 4.08Å; I99-C249 HydrophobicContact CD1-CB 4.1Å
100P96.4Very high96.2Very high43 Ų4343.6 Ų43.628%0.27925%0.254SS..PPolyproline II helixtrans-53.4137.3178.3-27.934000112.8G102 L103 Y274P100-G102 PolarHBondContact O-N 2.81Å; P100-L103 HydrophobicContact CB-CB 4.23Å; P100-L103 HydrophobicContact CG-CD2 4.26Å; P100-L103 VanDerWaalsContact O-CB 3.3Å; P100-L103 WeakPolarHBondContact O-CB 3.14Å; P100-L103 PolarHBondContact O-N 3.32Å; P100-Y274 HydrophobicContact CB-CD1 3.63Å; P100-Y274 HydrophobicContact CB-CE1 3.98Å; P100-Y274 HydrophobicContact CG-CD1 4.32Å
101T96.1Very high96.2Very high146 Ų14645.9 Ų45.990%0.89627%0.268SS*.THydrogen-bonded Turntrans-54.4127.1179.2-56.50000110.9I99 L103I99-T101 PolarHBondContact O-N 2.87Å; T101-L103 VanDerWaalsContact C-N 3.32Å; T101-L103 PolarHBondContact O-N 3.5Å
102G97.1Very high96.4Very high31 Ų3143.4 Ų43.432%0.3225%0.251SS..THydrogen-bonded Turntrans86.4-16.9-179.900000115.3P100 L104 S105 D106 Y274P100-G102 PolarHBondContact O-N 2.81Å; G102-L104 VanDerWaalsContact C-N 3.32Å; G102-L104 PolarHBondContact O-N 2.87Å; G102-S105 WeakPolarHBondContact O-CA 3.38Å; G102-S105 WeakPolarHBondContact O-CB 3.34Å; G102-S105 PolarHBondContact O-N 3.32Å; G102-D106 PolarHBondContact O-N 3Å; G102-Y274 PolarHBondContact O-OH 3.39Å
103L98.1Very high96.6Very high0 Ų041.2 Ų41.20%024%0.242CC..Hα-helixtrans-57.6-44.8-174.9173.158.8000112.2I99 P100 T101 S105 D106 L107 L246 I269 L270 Y274 L276I99-L103 HydrophobicContact CG2-CB 4.24Å; I99-L103 HydrophobicContact CG2-CD2 4.17Å; P100-L103 HydrophobicContact CB-CB 4.23Å; P100-L103 HydrophobicContact CG-CD2 4.26Å; P100-L103 VanDerWaalsContact O-CB 3.3Å; P100-L103 WeakPolarHBondContact O-CB 3.14Å; P100-L103 PolarHBondContact O-N 3.32Å; T101-L103 VanDerWaalsContact C-N 3.32Å; T101-L103 PolarHBondContact O-N 3.5Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.93Å; L103-D106 PolarHBondContact O-N 3.43Å; L103-L107 HydrophobicContact CD1-CD1 3.71Å; L103-L107 HydrophobicContact CD1-CG 4.04Å; L103-L107 HydrophobicContact CG-CD1 4.06Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 3.11Å; L103-L246 HydrophobicContact CD2-CD1 4.07Å; L103-L246 HydrophobicContact CD2-CD2 4.4Å; L103-I269 HydrophobicContact CD1-CG2 4.49Å; L103-L270 HydrophobicContact CD1-CD2 3.77Å; L103-L270 HydrophobicContact CD2-CD2 4.39Å; L103-Y274 WeakPolarHBondContact CA-OH 3.44Å; L103-Y274 HydrophobicContact CB-CD1 4.03Å; L103-Y274 HydrophobicContact CB-CD2 4.42Å; L103-Y274 HydrophobicContact CB-CE1 3.71Å; L103-Y274 HydrophobicContact CB-CE2 4.12Å; L103-Y274 HydrophobicContact CB-CG 4.37Å; L103-Y274 HydrophobicContact CD1-CD1 4.38Å; L103-Y274 HydrophobicContact CD1-CD2 3.43Å; L103-Y274 VanDerWaalsContact CD1-CD2 3.43Å; L103-Y274 HydrophobicContact CD1-CE2 3.58Å; L103-Y274 HydrophobicContact CD1-CG 3.87Å; L103-Y274 HydrophobicContact CG-CD2 4.44Å; L103-Y274 HydrophobicContact CG-CE2 4.45Å; L103-Y274 PolarHBondContact N-OH 3.31Å; L103-Y274 VanDerWaalsContact N-OH 3.08Å; L103-L276 HydrophobicContact CD2-CD1 3.99Å
104L98.4Very high96.8Very high16 Ų1641.2 Ų41.28%0.08424%0.242CC..Hα-helixtrans-63.9-35.9177.9-60178.3000112V87 I90 T96 I99 G102 L107 L108 V114 L116 L246V87-L104 HydrophobicContact CG1-CB 3.72Å; I90-L104 HydrophobicContact CB-CD1 4.5Å; I90-L104 HydrophobicContact CD1-CB 4.35Å; I90-L104 HydrophobicContact CD1-CD1 4.06Å; I90-L104 HydrophobicContact CG2-CD1 4.11Å; T96-L104 HydrophobicContact CG2-CD1 4.11Å; I99-L104 HydrophobicContact CG2-CD1 4.23Å; I99-L104 HydrophobicContact CG2-CD2 4.03Å; I99-L104 HydrophobicContact CG2-CG 3.8Å; G102-L104 VanDerWaalsContact C-N 3.32Å; G102-L104 PolarHBondContact O-N 2.87Å; L104-L107 PolarHBondContact O-N 3.16Å; L104-L108 VanDerWaalsContact O-CB 3.25Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 PolarHBondContact O-N 2.87Å; L104-V114 HydrophobicContact CD2-CG2 4.18Å; L104-L116 HydrophobicContact CD1-CD1 4.36Å; L104-L116 HydrophobicContact CD2-CD1 4.15Å; L104-L116 HydrophobicContact CD2-CD2 4.4Å; L104-L246 HydrophobicContact CD2-CD1 4.34Å
105S98.1Very high97Very high73 Ų7342.2 Ų42.251%0.5125%0.247SC..Hα-helixtrans-72.8-28.3178.4-56.50000113.4G102 L103 L107 L108G102-S105 WeakPolarHBondContact O-CA 3.38Å; G102-S105 WeakPolarHBondContact O-CB 3.34Å; G102-S105 PolarHBondContact O-N 3.32Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.93Å; S105-L107 VanDerWaalsContact C-N 3.35Å; S105-L108 CarbonylContact C-O 3.46Å; S105-L108 VanDerWaalsContact O-O 3.07Å
106D97.9Very high97.2Very high50 Ų5040 Ų4027%0.26724%0.235SC..Hα-helixtrans-76.2-26.1174.3-81.41.4000112.4G102 L103 I269 R273 Y274G102-D106 PolarHBondContact O-N 3Å; L103-D106 PolarHBondContact O-N 3.43Å; D106-I269 HydrophobicContact CB-CG2 3.99Å; D106-R273 IonicContact OD1-CZ 2.65Å; D106-R273 IonicContact OD1-NH1 3.77Å; D106-R273 PolarHBondContact OD1-NH1 2.87Å; D106-R273 IonicContact OD1-NH2 3.64Å; D106-R273 WeakPolarHBondContact OD2-CD 3.43Å; D106-R273 IonicContact OD2-CZ 3.23Å; D106-R273 IonicContact OD2-NE 3Å; D106-R273 PolarHBondContact OD2-NE 3.19Å; D106-R273 IonicContact OD2-NH1 3.84Å; D106-R273 PolarHBondContact OD2-NH1 3.23Å; D106-R273 IonicContact OD2-NH2 3.84Å; D106-Y274 HydrophobicContact CB-CE2 4.22Å; D106-Y274 VanDerWaalsContact OD2-CE2 3.28Å; D106-Y274 WeakPolarHBondContact OD2-CE2 3.49Å; D106-Y274 PolarHBondContact OD2-OH 3.44Å
107L98.1Very high97.1Very high6 Ų639.9 Ų39.93%0.03124%0.235CC..Hα-helixtrans-95-24.8-179.9-66.6175.1000113.9L103 L104 S105 V114 I244 L246 T266 I269 L270L103-L107 HydrophobicContact CD1-CD1 3.71Å; L103-L107 HydrophobicContact CD1-CG 4.04Å; L103-L107 HydrophobicContact CG-CD1 4.06Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 3.16Å; S105-L107 VanDerWaalsContact C-N 3.35Å; L107-V114 HydrophobicContact CD1-CG1 3.97Å; L107-I244 HydrophobicContact CD1-CD1 3.58Å; L107-I244 HydrophobicContact CD2-CD1 4.48Å; L107-L246 HydrophobicContact CD1-CD1 4.08Å; L107-T266 HydrophobicContact CD2-CG2 4.01Å; L107-I269 HydrophobicContact CD2-CB 4.4Å; L107-I269 HydrophobicContact CD2-CD1 4.28Å; L107-I269 HydrophobicContact CD2-CG2 4.12Å; L107-L270 HydrophobicContact CD1-CD2 4.26Å
108L98.3Very high97.1Very high2 Ų232.4 Ų32.41%0.0120%0.202CC..  trans-135.1139.6-171.8-59.2172.1000110.5V87 I90 L104 S105 V112 V114 I141 I143V87-L108 HydrophobicContact CG2-CB 3.94Å; V87-L108 WeakPolarHBondContact CG2-O 3.37Å; I90-L108 HydrophobicContact CD1-CD1 3.75Å; L104-L108 VanDerWaalsContact O-CB 3.25Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 PolarHBondContact O-N 2.87Å; S105-L108 CarbonylContact C-O 3.46Å; S105-L108 VanDerWaalsContact O-O 3.07Å; L108-V112 WeakPolarHBondContact CD2-O 3.48Å; L108-V114 HydrophobicContact CD1-CG1 4.5Å; L108-V114 HydrophobicContact CD1-CG2 3.98Å; L108-I141 HydrophobicContact CD1-CG2 4.37Å; L108-I143 HydrophobicContact CB-CB 4.22Å; L108-I143 HydrophobicContact CB-CD1 4.15Å; L108-I143 HydrophobicContact CB-CG1 4.41Å; L108-I143 HydrophobicContact CD1-CD1 4.23Å; L108-I143 HydrophobicContact CD1-CG1 4.3Å; L108-I143 HydrophobicContact CD2-CB 4.41Å
109P97.9Very high97Very high58 Ų5830.8 Ų30.838%0.37719%0.191SC..SBendcis-67.4154.9-1.630-36.4000113.3I143 D145P109-I143 CarbonylContact C-O 3.45Å; P109-I143 WeakPolarHBondContact CA-O 3.48Å; P109-I143 HydrophobicContact CB-CB 4.36Å; P109-I143 HydrophobicContact CB-CG2 3.75Å; P109-D145 HydrophobicContact CB-CB 4.27Å
110G95.9Very high96.5Very high5 Ų535.6 Ų35.65%0.05223%0.226CC..SBendtrans152.3-172.8174.200000115.2D50 V112 R142 I143D50-G110 WeakPolarHBondContact OD2-CA 3.23Å; G110-V112 PolarHBondContact O-N 3.33Å; G110-R142 PolarHBondContact O-NE 2.9Å; G110-R142 PolarHBondContact O-NH1 3.25Å; G110-R142 PolarHBondContact O-NH2 2.78Å; G110-I143 PolarHBondContact N-O 2.88Å
111P96.1Very high96Very high48 Ų4836.5 Ų36.531%0.31223%0.229SC..SBendtrans-72.430.8-175.928-33.3000115.2T51 R142 S241 T242 A262T51-P111 HydrophobicContact CG2-CB 3.46Å; T51-P111 VanDerWaalsContact CG2-CB 3.46Å; P111-R142 PolarHBondContact O-NH1 3.21Å; P111-S241 CarbonylContact O-C 3.5Å; P111-S241 WeakPolarHBondContact O-CA 3.43Å; P111-T242 PolarHBondContact O-N 2.62Å; P111-A262 HydrophobicContact CB-CB 3.91Å; P111-A262 HydrophobicContact CG-CB 3.69Å
112V97.2Very high95Very high6 Ų637.8 Ų37.84%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-115.3141.8174.7-171.30000113L108 G110 V114 R142 T242 I244 A262 T266L108-V112 WeakPolarHBondContact CD2-O 3.48Å; G110-V112 PolarHBondContact O-N 3.33Å; V112-V114 HydrophobicContact CG1-CG1 3.97Å; V112-R142 WeakPolarHBondContact O-CD 3.47Å; V112-R142 PolarHBondContact O-NH1 3.34Å; V112-T242 CarbonylContact C-O 3.39Å; V112-T242 WeakPolarHBondContact CA-O 3.28Å; V112-I244 HydrophobicContact CG1-CD1 4.02Å; V112-I244 HydrophobicContact CG1-CG1 4Å; V112-A262 HydrophobicContact CG2-CB 4.05Å; V112-T266 HydrophobicContact CG1-CG2 4.39Å; V112-T266 HydrophobicContact CG2-CG2 4.45Å; V112-T266 VanDerWaalsContact CG2-OG1 3.23Å; V112-T266 WeakPolarHBondContact CG2-OG1 3.14Å
113T98.2Very high93.9Very high11 Ų1143.8 Ų43.87%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-114.5121.6164.8-60.40000107.4A81 I141 S241 T242 I243 I244A81-T113 HydrophobicContact CB-CG2 4.19Å; T113-I141 WeakPolarHBondContact CA-O 3.45Å; T113-S241 WeakPolarHBondContact OG1-CB 3.46Å; T113-S241 PolarHBondContact OG1-OG 2.67Å; T113-T242 PolarHBondContact N-O 2.87Å; T113-I243 HydrophobicContact CG2-CG2 4.45Å; T113-I243 WeakPolarHBondContact O-CA 3.24Å; T113-I244 PolarHBondContact O-N 2.95Å
114V98.3Very high92.9Very high0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-99.4129.5179.8-58.30000109.5L104 L107 L108 V112 L116 G140 I141 I244 L246L104-V114 HydrophobicContact CD2-CG2 4.18Å; L107-V114 HydrophobicContact CD1-CG1 3.97Å; L108-V114 HydrophobicContact CD1-CG1 4.5Å; L108-V114 HydrophobicContact CD1-CG2 3.98Å; V112-V114 HydrophobicContact CG1-CG1 3.97Å; V114-L116 HydrophobicContact CG2-CD1 3.93Å; V114-L116 HydrophobicContact CG2-CG 4.06Å; V114-G140 CarbonylContact O-C 3.45Å; V114-G140 WeakPolarHBondContact O-CA 3.39Å; V114-I141 HydrophobicContact CG2-CB 3.79Å; V114-I141 HydrophobicContact CG2-CG1 4.5Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; V114-I141 PolarHBondContact N-O 3.28Å; V114-I141 PolarHBondContact O-N 3.37Å; V114-I244 CarbonylContact C-O 3.58Å; V114-I244 HydrophobicContact CB-CG1 4.42Å; V114-I244 HydrophobicContact CG1-CD1 3.98Å; V114-I244 HydrophobicContact CG1-CG1 3.94Å; V114-L246 HydrophobicContact CB-CD1 4.08Å; V114-L246 HydrophobicContact CG1-CD1 3.99Å
115L98.2Very high92.3Very high21 Ų2149 Ų4911%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-89126167.9-48.5-173.8000108.5R138 V139 G140 I243 I244 D245 L246 V257L115-R138 HydrophobicContact CB-CB 4.46Å; L115-V139 WeakPolarHBondContact CA-O 3.4Å; L115-G140 VanDerWaalsContact CD2-CA 3.47Å; L115-I243 HydrophobicContact CD1-CG2 4.28Å; L115-I243 HydrophobicContact CD2-CG2 3.93Å; L115-I243 HydrophobicContact CG-CG2 3.93Å; L115-I244 PolarHBondContact N-O 2.65Å; L115-D245 HydrophobicContact CB-CB 4.3Å; L115-D245 HydrophobicContact CD1-CB 4.34Å; L115-L246 PolarHBondContact O-N 2.79Å; L115-V257 HydrophobicContact CD1-CB 4.48Å; L115-V257 HydrophobicContact CD1-CG2 3.75Å
116L97.7Very high91.7Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-125.3151.1-178.2-68.3173.8000110.2I90 C94 T96 I99 L104 V114 R118 R138 V139 I141 L246 C247I90-L116 HydrophobicContact CG2-CD1 3.62Å; C94-L116 HydrophobicContact CB-CB 4.26Å; T96-L116 HydrophobicContact CG2-CD1 4.32Å; I99-L116 HydrophobicContact CD1-CD2 3.48Å; I99-L116 VanDerWaalsContact CD1-CD2 3.48Å; I99-L116 HydrophobicContact CG1-CD2 3.8Å; L104-L116 HydrophobicContact CD1-CD1 4.36Å; L104-L116 HydrophobicContact CD2-CD1 4.15Å; L104-L116 HydrophobicContact CD2-CD2 4.4Å; V114-L116 HydrophobicContact CG2-CD1 3.93Å; V114-L116 HydrophobicContact CG2-CG 4.06Å; L116-R118 PolarHBondContact O-N 3.29Å; L116-R138 CarbonylContact O-C 3.58Å; L116-R138 VanDerWaalsContact O-CA 3.23Å; L116-R138 WeakPolarHBondContact O-CA 3.19Å; L116-V139 PolarHBondContact N-O 2.92Å; L116-V139 PolarHBondContact O-N 3.2Å; L116-I141 HydrophobicContact CD1-CG1 3.99Å; L116-L246 HydrophobicContact CD2-CB 4Å; L116-L246 HydrophobicContact CD2-CD1 4.5Å; L116-C247 VanDerWaalsContact C-SG 3.52Å
117P95Very high91.1Very high36 Ų3643.5 Ų43.523%0.23423%0.23CC..EExtended strand (participates in β ladder)trans-66.2134.5179.525.5-28.7000109.8C94 D95 C247C94-P117 VanDerWaalsContact CB-O 3.32Å; C94-P117 WeakPolarHBondContact CB-O 3.37Å; D95-P117 HydrophobicContact CB-CG 4.16Å; D95-P117 PolarHBondContact N-O 2.68Å; D95-P117 WeakPolarHBondContact O-CD 3.19Å; D95-P117 WeakPolarHBondContact O-CG 3.48Å; P117-C247 VanDerWaalsContact N-SG 3.37Å
118R93.8Very high90.3Very high20 Ų2044.1 Ų44.18%0.07524%0.235CC..PPolyproline II helixtrans-68.8158.9168.1-65.4175.575.6163.48.7109.3L116 S120 D125 L127 S128 L132 N133 D136 K137 V139L116-R118 PolarHBondContact O-N 3.29Å; R118-S120 PolarHBondContact O-N 3.47Å; R118-D125 IonicContact CZ-OD1 3.86Å; R118-D125 IonicContact CZ-OD2 3.62Å; R118-D125 IonicContact NE-OD1 3.73Å; R118-D125 IonicContact NE-OD2 3.46Å; R118-D125 PolarHBondContact NE-OD2 3.42Å; R118-D125 IonicContact NH2-OD1 3.69Å; R118-D125 PolarHBondContact NH2-OD1 3.2Å; R118-D125 IonicContact NH2-OD2 2.62Å; R118-D125 PolarHBondContact NH2-OD2 3.06Å; R118-L127 VanDerWaalsContact NH2-CB 3.3Å; R118-S128 PolarHBondContact NH2-OG 3.33Å; R118-S128 VanDerWaalsContact NH2-OG 3.13Å; R118-L132 PolarHBondContact NH1-O 3.25Å; R118-N133 PolarHBondContact NH1-O 3.46Å; R118-D136 WeakPolarHBondContact CD-O 3.3Å; R118-D136 PolarHBondContact NH1-O 3.26Å; R118-D136 VanDerWaalsContact NH1-O 3.17Å; R118-K137 PolarHBondContact N-O 3Å; R118-V139 HydrophobicContact CG-CB 4.17Å; R118-V139 HydrophobicContact CG-CG1 4.33Å
119F92.6Very high89.1Confident53 Ų5347.7 Ų47.723%0.23226%0.257CS..PPolyproline II helixtrans-56.2132.4170.4-62.6-62.5000110.1S91 C94 D95 D121 Q124 D125S91-F119 WeakPolarHBondContact O-CZ 3.49Å; C94-F119 VanDerWaalsContact C-CZ 3.4Å; C94-F119 WeakPolarHBondContact O-CE1 3.3Å; C94-F119 VanDerWaalsContact O-CZ 3.25Å; C94-F119 WeakPolarHBondContact O-CZ 3.34Å; D95-F119 HydrophobicContact CB-CD1 4Å; D95-F119 HydrophobicContact CB-CE1 4.2Å; F119-D121 VanDerWaalsContact C-N 3.26Å; F119-D121 PolarHBondContact O-N 3.49Å; F119-Q124 WeakPolarHBondContact CD2-O 3.49Å; F119-D125 HydrophobicContact CB-CB 4.33Å
120S86.7Confident88.2Confident123 Ų12346 Ų4686%0.8624%0.243SC*.SBendtrans-65.8-32.7-17754.40000112.4R118R118-S120 PolarHBondContact O-N 3.47Å
121D85.6Confident87.4Confident62 Ų6249.5 Ų49.533%0.33226%0.26SS..SBendtrans-83.8113.7172.8-175.7-1.1000109.8F119 L123 Q124 D125F119-D121 VanDerWaalsContact C-N 3.26Å; F119-D121 PolarHBondContact O-N 3.49Å; D121-L123 PolarHBondContact O-N 2.96Å; D121-L123 WeakPolarHBondContact OD1-CB 3.45Å; D121-L123 PolarHBondContact OD1-N 3.35Å; D121-Q124 HydrophobicContact CB-CB 4.22Å; D121-Q124 HydrophobicContact CB-CG 4.16Å; D121-Q124 PolarHBondContact O-N 2.9Å; D121-Q124 PolarHBondContact OD2-NE2 3.07Å; D121-D125 PolarHBondContact O-N 3.38Å
122R75Confident86.9Confident172 Ų17247.2 Ų47.265%0.64925%0.246SC*.THydrogen-bonded Turntrans-61.9-26.6178.5-75.1-169.7178-165.50.5113.1Q124 D125R122-Q124 PolarHBondContact O-N 3.33Å; R122-D125 PolarHBondContact O-N 2.91Å
123L75.2Confident86.5Confident158 Ų15847.5 Ų47.583%0.82725%0.247SC*.THydrogen-bonded Turntrans-70.3-26.9177.1-63.2176.9000111.5D121D121-L123 PolarHBondContact O-N 2.96Å; D121-L123 WeakPolarHBondContact OD1-CB 3.45Å; D121-L123 PolarHBondContact OD1-N 3.35Å
124Q76.8Confident85.8Confident121 Ų12152 Ų5257%0.56527%0.27SS*.SBendtrans-92.9-5.1176.4-63.8176.956.300112.8F119 D121 R122 P126F119-Q124 WeakPolarHBondContact CD2-O 3.49Å; D121-Q124 HydrophobicContact CB-CB 4.22Å; D121-Q124 HydrophobicContact CB-CG 4.16Å; D121-Q124 PolarHBondContact O-N 2.9Å; D121-Q124 PolarHBondContact OD2-NE2 3.07Å; R122-Q124 PolarHBondContact O-N 3.33Å; Q124-P126 WeakPolarHBondContact O-CD 3.48Å
125D84.8Confident85.1Confident5 Ų554.8 Ų54.83%0.02730%0.298CS..  trans-90.6102.9-177.8175.112.4000111.6R118 F119 D121 R122 L127 S128R118-D125 IonicContact CZ-OD1 3.86Å; R118-D125 IonicContact CZ-OD2 3.62Å; R118-D125 IonicContact NE-OD1 3.73Å; R118-D125 IonicContact NE-OD2 3.46Å; R118-D125 PolarHBondContact NE-OD2 3.42Å; R118-D125 IonicContact NH2-OD1 3.69Å; R118-D125 PolarHBondContact NH2-OD1 3.2Å; R118-D125 IonicContact NH2-OD2 2.62Å; R118-D125 PolarHBondContact NH2-OD2 3.06Å; F119-D125 HydrophobicContact CB-CB 4.33Å; D121-D125 PolarHBondContact O-N 3.38Å; R122-D125 PolarHBondContact O-N 2.91Å; D125-L127 PolarHBondContact O-N 2.82Å; D125-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 WeakPolarHBondContact OD1-CB 3.47Å; D125-L127 PolarHBondContact OD1-N 3.23Å; D125-S128 PolarHBondContact O-N 2.89Å; D125-S128 VanDerWaalsContact O-N 3.11Å; D125-S128 WeakPolarHBondContact OD2-CB 3.37Å; D125-S128 PolarHBondContact OD2-OG 3Å
126P85.3Confident84.7Confident5 Ų555.8 Ų55.83%0.03230%0.304CS..Hα-helixtrans-63.4-23.3-177.926.4-34.7000112.9W93 Q124 S128 T129 R130 I182W93-P126 HydrophobicContact CD2-CG 4.36Å; W93-P126 HydrophobicContact CE3-CB 4.03Å; W93-P126 HydrophobicContact CE3-CG 3.68Å; W93-P126 HydrophobicContact CZ3-CB 3.84Å; W93-P126 HydrophobicContact CZ3-CG 4.04Å; Q124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-S128 VanDerWaalsContact C-N 3.34Å; P126-T129 PolarHBondContact O-OG1 3.21Å; P126-R130 VanDerWaalsContact CB-NH1 3.35Å; P126-R130 VanDerWaalsContact O-CD 3.32Å; P126-R130 WeakPolarHBondContact O-CD 3.4Å; P126-R130 WeakPolarHBondContact O-CG 3.46Å; P126-R130 PolarHBondContact O-NH1 3.2Å; P126-I182 HydrophobicContact CB-CD1 4.05Å; P126-I182 HydrophobicContact CB-CG2 3.96Å; P126-I182 HydrophobicContact CG-CD1 4.24Å; P126-I182 HydrophobicContact CG-CG2 4.38Å
127L86.8Confident84.4Confident1 Ų164.3 Ų64.31%0.00534%0.341CS..Hα-helixtrans-78.6-24.2-179.1-61.1177000112V59 I82 W93 R118 D125 R130 L131 L132 V139V59-L127 HydrophobicContact CG2-CD2 3.79Å; I82-L127 HydrophobicContact CD1-CD1 4.39Å; I82-L127 HydrophobicContact CD1-CD2 4.49Å; I82-L127 HydrophobicContact CG2-CD2 4.18Å; W93-L127 HydrophobicContact CE3-CD2 3.52Å; W93-L127 HydrophobicContact CE3-CG 4.05Å; W93-L127 HydrophobicContact CZ3-CD2 3.8Å; R118-L127 VanDerWaalsContact NH2-CB 3.3Å; D125-L127 PolarHBondContact O-N 2.82Å; D125-L127 VanDerWaalsContact O-N 3.13Å; D125-L127 WeakPolarHBondContact OD1-CB 3.47Å; D125-L127 PolarHBondContact OD1-N 3.23Å; L127-R130 PolarHBondContact O-N 3.41Å; L127-L131 PolarHBondContact O-N 3.16Å; L127-L132 HydrophobicContact CD2-CD2 4.14Å; L127-L132 PolarHBondContact O-N 2.62Å; L127-V139 HydrophobicContact CD1-CB 3.91Å; L127-V139 HydrophobicContact CD1-CG1 4.4Å; L127-V139 HydrophobicContact CD1-CG2 3.46Å; L127-V139 VanDerWaalsContact CD1-CG2 3.46Å
128S79.7Confident84.4Confident20 Ų2066.4 Ų66.414%0.1434%0.344CS..Hα-helixtrans-68.4-41.6178.6-80.60000111.3R118 D125 P126 R130 L131R118-S128 PolarHBondContact NH2-OG 3.33Å; R118-S128 VanDerWaalsContact NH2-OG 3.13Å; D125-S128 PolarHBondContact O-N 2.89Å; D125-S128 VanDerWaalsContact O-N 3.11Å; D125-S128 WeakPolarHBondContact OD2-CB 3.37Å; D125-S128 PolarHBondContact OD2-OG 3Å; P126-S128 VanDerWaalsContact C-N 3.34Å; S128-R130 PolarHBondContact O-N 3.31Å; S128-L131 PolarHBondContact O-N 2.87Å
129T74.5Confident84.5Confident76 Ų7665.5 Ų65.547%0.46634%0.341SS..Hα-helixtrans-67.2-19176.354.20000113.2P126P126-T129 PolarHBondContact O-OG1 3.21Å
130R78.4Confident84.7Confident24 Ų2463.3 Ų63.39%0.09133%0.334CS..THydrogen-bonded Turntrans-99.19.4-179.2-65.6167.7178.973.12.2113.2V59 F60 P126 L127 S128 L132V59-R130 WeakPolarHBondContact O-CD 3.37Å; F60-R130 VanDerWaalsContact CD1-NE 3.27Å; P126-R130 VanDerWaalsContact CB-NH1 3.35Å; P126-R130 VanDerWaalsContact O-CD 3.32Å; P126-R130 WeakPolarHBondContact O-CD 3.4Å; P126-R130 WeakPolarHBondContact O-CG 3.46Å; P126-R130 PolarHBondContact O-NH1 3.2Å; L127-R130 PolarHBondContact O-N 3.41Å; S128-R130 PolarHBondContact O-N 3.31Å; R130-L132 PolarHBondContact O-N 3.41Å
131L80.1Confident85.3Confident78 Ų7857.5 Ų57.541%0.40829%0.293SS..THydrogen-bonded Turntrans53.725.5179.3-48.9-178.5000114.2T62 R69 L127 S128 L134T62-L131 HydrophobicContact CG2-CD1 3.94Å; R69-L131 PolarHBondContact NH1-O 2.56Å; R69-L131 PolarHBondContact NH2-O 2.91Å; L127-L131 PolarHBondContact O-N 3.16Å; S128-L131 PolarHBondContact O-N 2.87Å; L131-L134 HydrophobicContact CB-CD1 4.18Å; L131-L134 HydrophobicContact CD2-CD1 3.96Å; L131-L134 HydrophobicContact CD2-CD2 4.37Å
132L85.5Confident85.9Confident0 Ų054.9 Ų54.90%028%0.278CS..SBendtrans-90.2128.1177.5-17167.2000110V59 I65 M80 I82 R118 L127 R130 L134 V191V59-L132 HydrophobicContact CG2-CD2 4.01Å; I65-L132 HydrophobicContact CG2-CD1 4.14Å; M80-L132 HydrophobicContact CB-CD1 4.45Å; M80-L132 HydrophobicContact CE-CD1 4.08Å; I82-L132 HydrophobicContact CG2-CD2 3.48Å; I82-L132 VanDerWaalsContact CG2-CD2 3.48Å; R118-L132 PolarHBondContact NH1-O 3.25Å; L127-L132 HydrophobicContact CD2-CD2 4.14Å; L127-L132 PolarHBondContact O-N 2.62Å; R130-L132 PolarHBondContact O-N 3.41Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.27Å; L132-V191 HydrophobicContact CD1-CG1 4.49Å; L132-V191 HydrophobicContact CD1-CG2 3.88Å; L132-V191 HydrophobicContact CD2-CG2 3.89Å
133N87.9Confident87Confident12 Ų1246.7 Ų46.76%0.06425%0.248CC..SBendtrans49.245.9177-52.6-23.5000113.3P79 M80 R118 G135 D136P79-N133 VanDerWaalsContact CA-OD1 3.23Å; P79-N133 WeakPolarHBondContact CA-OD1 3.49Å; P79-N133 HydrophobicContact CB-CB 4.25Å; M80-N133 PolarHBondContact N-OD1 2.95Å; M80-N133 PolarHBondContact O-ND2 2.89Å; R118-N133 PolarHBondContact NH1-O 3.46Å; N133-G135 PolarHBondContact O-N 2.95Å; N133-D136 HydrophobicContact CB-CB 4.19Å; N133-D136 PolarHBondContact O-N 3.45Å; N133-D136 VanDerWaalsContact O-N 3.09Å
134L83.2Confident88Confident105 Ų10539.2 Ų39.255%0.5521%0.208SC..THydrogen-bonded Turntrans-55.9127.5-178.8-67.4176.6000110.9L131 L132 D136L131-L134 HydrophobicContact CB-CD1 4.18Å; L131-L134 HydrophobicContact CD2-CD1 3.96Å; L131-L134 HydrophobicContact CD2-CD2 4.37Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.27Å; L134-D136 VanDerWaalsContact C-N 3.34Å
135G84.3Confident88.9Confident58 Ų5838.6 Ų38.660%0.59821%0.209SC*.THydrogen-bonded Turntrans90-18.3-179.400000115.3N133N133-G135 PolarHBondContact O-N 2.95Å
136D89.7Confident89.4Confident42 Ų4239.2 Ų39.223%0.22521%0.214CC..  trans-74.9132.6170.8-158.2-34.3000109.5R118 N133 L134 R138R118-D136 WeakPolarHBondContact CD-O 3.3Å; R118-D136 PolarHBondContact NH1-O 3.26Å; R118-D136 VanDerWaalsContact NH1-O 3.17Å; N133-D136 HydrophobicContact CB-CB 4.19Å; N133-D136 PolarHBondContact O-N 3.45Å; N133-D136 VanDerWaalsContact O-N 3.09Å; L134-D136 VanDerWaalsContact C-N 3.34Å; D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact OD1-N 3.49Å; D136-R138 IonicContact OD1-NE 3.42Å
137K92Very high89.9Confident180 Ų18041.4 Ų41.478%0.78324%0.237SC*.SBendtrans-83.1-7177.6-65.3-177.3179.8-179.70112.5R118R118-K137 PolarHBondContact N-O 3Å
138R94.9Very high90.4Very high79 Ų7942 Ų4230%0.29824%0.24SC..EExtended strand (participates in β ladder)trans-118.8156.4-177.8-50.8175.2-65.4177.31.9110.1L115 L116 D136 D245 C247L115-R138 HydrophobicContact CB-CB 4.46Å; L116-R138 CarbonylContact O-C 3.58Å; L116-R138 VanDerWaalsContact O-CA 3.23Å; L116-R138 WeakPolarHBondContact O-CA 3.19Å; D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact OD1-N 3.49Å; D136-R138 IonicContact OD1-NE 3.42Å; R138-D245 VanDerWaalsContact CD-OD2 3.24Å; R138-D245 WeakPolarHBondContact CD-OD2 3.37Å; R138-D245 IonicContact CZ-OD2 3.78Å; R138-D245 IonicContact NE-OD2 2.68Å; R138-D245 IonicContact NH1-OD2 2.79Å; R138-D245 PolarHBondContact NH1-OD2 2.71Å; R138-C247 VanDerWaalsContact CG-SG 3.59Å
139V95.6Very high91.3Very high1 Ų141.1 Ų41.11%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-123.7134.6166.858.80000109.2I82 C94 L115 L116 R118 L127 I141I82-V139 HydrophobicContact CD1-CG2 4.31Å; I82-V139 HydrophobicContact CG1-CG2 4.02Å; C94-V139 HydrophobicContact CB-CG1 3.47Å; C94-V139 VanDerWaalsContact CB-CG1 3.47Å; L115-V139 WeakPolarHBondContact CA-O 3.4Å; L116-V139 PolarHBondContact N-O 2.92Å; L116-V139 PolarHBondContact O-N 3.2Å; R118-V139 HydrophobicContact CG-CB 4.17Å; R118-V139 HydrophobicContact CG-CG1 4.33Å; L127-V139 HydrophobicContact CD1-CB 3.91Å; L127-V139 HydrophobicContact CD1-CG1 4.4Å; L127-V139 HydrophobicContact CD1-CG2 3.46Å; L127-V139 VanDerWaalsContact CD1-CG2 3.46Å; V139-I141 HydrophobicContact CG1-CD1 3.89Å; V139-I141 HydrophobicContact CG1-CG1 4.3Å; V139-I141 HydrophobicContact CG2-CD1 3.87Å
140G97.4Very high92.4Very high8 Ų842 Ų428%0.08223%0.228CC..EExtended strand (participates in β ladder)trans-80124.116800000110.5A81 I82 V114 L115A81-G140 CarbonylContact C-O 3.52Å; A81-G140 WeakPolarHBondContact CA-O 3.41Å; A81-G140 WeakPolarHBondContact CB-O 3.44Å; I82-G140 PolarHBondContact N-O 3.32Å; V114-G140 CarbonylContact O-C 3.45Å; V114-G140 WeakPolarHBondContact O-CA 3.39Å; L115-G140 VanDerWaalsContact CD2-CA 3.47Å
141I98.1Very high93.3Very high0 Ų047.5 Ų47.50%025%0.252CS..EExtended strand (participates in β ladder)trans-108.9132.8175.7-55-58.5000109.1I82 L84 I90 L108 T113 V114 L116 V139I82-I141 HydrophobicContact CD1-CD1 3.51Å; I82-I141 HydrophobicContact CG1-CD1 3.38Å; L84-I141 HydrophobicContact CD1-CG2 4.05Å; I90-I141 HydrophobicContact CD1-CG2 3.89Å; I90-I141 HydrophobicContact CG1-CG2 3.89Å; I90-I141 HydrophobicContact CG2-CG1 4.27Å; I90-I141 HydrophobicContact CG2-CG2 4.43Å; L108-I141 HydrophobicContact CD1-CG2 4.37Å; T113-I141 WeakPolarHBondContact CA-O 3.45Å; V114-I141 HydrophobicContact CG2-CB 3.79Å; V114-I141 HydrophobicContact CG2-CG1 4.5Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; V114-I141 PolarHBondContact N-O 3.28Å; V114-I141 PolarHBondContact O-N 3.37Å; L116-I141 HydrophobicContact CD1-CG1 3.99Å; V139-I141 HydrophobicContact CG1-CD1 3.89Å; V139-I141 HydrophobicContact CG1-CG1 4.3Å; V139-I141 HydrophobicContact CG2-CD1 3.87Å
142R98Very high94.1Very high7 Ų743.8 Ų43.83%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-130137.6176-18055.1173.5-148.1-5.9109.7D50 T51 I82 C83 L84 G110 P111 V112 P144 L192D50-R142 IonicContact OD1-CZ 2.87Å; D50-R142 IonicContact OD1-NE 3.23Å; D50-R142 IonicContact OD1-NH2 3.75Å; D50-R142 PolarHBondContact OD1-NH2 2.62Å; D50-R142 IonicContact OD2-NH2 2.8Å; D50-R142 PolarHBondContact OD2-NH2 2.96Å; T51-R142 PolarHBondContact OG1-NH2 3.41Å; I82-R142 PolarHBondContact O-N 3.3Å; C83-R142 CarbonylContact C-O 3.53Å; C83-R142 WeakPolarHBondContact CA-O 3.48Å; L84-R142 PolarHBondContact N-O 3.2Å; G110-R142 PolarHBondContact O-NE 2.9Å; G110-R142 PolarHBondContact O-NH1 3.25Å; G110-R142 PolarHBondContact O-NH2 2.78Å; P111-R142 PolarHBondContact O-NH1 3.21Å; V112-R142 WeakPolarHBondContact O-CD 3.47Å; V112-R142 PolarHBondContact O-NH1 3.34Å; R142-P144 HydrophobicContact CG-CG 3.91Å; R142-L192 HydrophobicContact CG-CD2 4.04Å
143I98.1Very high94.7Very high1 Ų143.8 Ų43.81%0.00523%0.233CC..  trans-130.794165.4-55179000105L84 V87 I90 L108 P109 G110L84-I143 HydrophobicContact CB-CD1 4.33Å; L84-I143 HydrophobicContact CB-CG1 4.04Å; L84-I143 WeakPolarHBondContact O-CG2 3.5Å; V87-I143 HydrophobicContact CB-CD1 4.44Å; V87-I143 HydrophobicContact CG2-CD1 3.81Å; I90-I143 HydrophobicContact CD1-CD1 4.1Å; I90-I143 HydrophobicContact CG1-CD1 4.4Å; L108-I143 HydrophobicContact CB-CB 4.22Å; L108-I143 HydrophobicContact CB-CD1 4.15Å; L108-I143 HydrophobicContact CB-CG1 4.41Å; L108-I143 HydrophobicContact CD1-CD1 4.23Å; L108-I143 HydrophobicContact CD1-CG1 4.3Å; L108-I143 HydrophobicContact CD2-CB 4.41Å; P109-I143 CarbonylContact C-O 3.45Å; P109-I143 WeakPolarHBondContact CA-O 3.48Å; P109-I143 HydrophobicContact CB-CB 4.36Å; P109-I143 HydrophobicContact CB-CG2 3.75Å; G110-I143 PolarHBondContact N-O 2.88Å
144P97.1Very high95Very high0 Ų045.1 Ų45.10%024%0.243CC..  trans-60.7141.6179-21.734.8000110D50 C83 R142 S146 I149 L192D50-P144 WeakPolarHBondContact OD1-CB 3.42Å; C83-P144 WeakPolarHBondContact SG-CD 3.3Å; R142-P144 HydrophobicContact CG-CG 3.91Å; P144-S146 PolarHBondContact O-N 3.36Å; P144-I149 HydrophobicContact CB-CD1 4.19Å; P144-I149 HydrophobicContact CG-CD1 4.16Å; P144-I149 HydrophobicContact CG-CG2 4.24Å; P144-L192 HydrophobicContact CG-CD2 4.13Å
145D96.3Very high95.6Very high108 Ų10840.7 Ų40.758%0.57822%0.222SC*.SBendtrans-7666.5167.9-16821.3000110.7D50 P109D50-D145 HydrophobicContact CB-CB 4.36Å; D50-D145 PolarHBondContact OD2-N 3.25Å; P109-D145 HydrophobicContact CB-CB 4.27Å
146S95.5Very high96.1Very high19 Ų1938 Ų3813%0.13319%0.194CC..  trans-131.9110.9-179170.80000109.5P144 F148 I149 R150P144-S146 PolarHBondContact O-N 3.36Å; S146-F148 PolarHBondContact O-N 2.82Å; S146-I149 PolarHBondContact O-N 2.71Å; S146-I149 WeakPolarHBondContact OG-CG1 3.33Å; S146-I149 PolarHBondContact OG-N 2.85Å; S146-R150 WeakPolarHBondContact O-CG 3.42Å; S146-R150 PolarHBondContact O-N 2.61Å
147G95.5Very high96.3Very high50 Ų5036.1 Ų36.152%0.51518%0.184SC..Hα-helixtrans-57.5-33.2179.200000113K151G147-K151 WeakPolarHBondContact O-CB 3.48Å; G147-K151 WeakPolarHBondContact O-CD 3.33Å; G147-K151 WeakPolarHBondContact O-CG 3.29Å; G147-K151 PolarHBondContact O-N 2.85Å
148F97.3Very high96.2Very high15 Ų1532.9 Ų32.97%0.06617%0.172CC..Hα-helixtrans-70.1-50.5175.5175.6-97.8000112V24 A27 S28 L31 I34 L47 S146 R150 K151 L152 I220V24-F148 HydrophobicContact CG1-CB 3.99Å; V24-F148 HydrophobicContact CG1-CD2 4.31Å; V24-F148 HydrophobicContact CG1-CG 4.12Å; A27-F148 HydrophobicContact CB-CE2 3.69Å; A27-F148 HydrophobicContact CB-CZ 3.77Å; S28-F148 WeakPolarHBondContact OG-CD2 3.44Å; L31-F148 HydrophobicContact CD1-CE2 4.1Å; L31-F148 HydrophobicContact CD1-CZ 4.47Å; I34-F148 HydrophobicContact CD1-CZ 4.1Å; L47-F148 HydrophobicContact CD2-CE1 4.09Å; S146-F148 PolarHBondContact O-N 2.82Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 2.9Å; F148-K151 PolarHBondContact O-N 3.29Å; F148-L152 HydrophobicContact CE1-CD2 4.16Å; F148-L152 HydrophobicContact CZ-CD2 4.43Å; F148-L152 WeakPolarHBondContact O-CB 3.39Å; F148-L152 PolarHBondContact O-N 2.94Å; F148-I220 HydrophobicContact CE1-CD1 3.41Å; F148-I220 VanDerWaalsContact CE1-CD1 3.41Å; F148-I220 HydrophobicContact CE1-CG2 4.3Å; F148-I220 HydrophobicContact CZ-CD1 3.43Å; F148-I220 VanDerWaalsContact CZ-CD1 3.43Å
149I97.7Very high95.9Very high1 Ų131.1 Ų31.11%0.00517%0.167CC..Hα-helixtrans-61.5-43.8-178.3-67.4177.3000110.8L47 P48 T49 P144 S146 K151 L152 I153L47-I149 HydrophobicContact CB-CD1 4.23Å; L47-I149 HydrophobicContact CB-CG1 4.47Å; L47-I149 HydrophobicContact CD1-CG1 4.35Å; P48-I149 WeakPolarHBondContact O-CD1 3.28Å; T49-I149 HydrophobicContact CG2-CD1 3.89Å; P144-I149 HydrophobicContact CB-CD1 4.19Å; P144-I149 HydrophobicContact CG-CD1 4.16Å; P144-I149 HydrophobicContact CG-CG2 4.24Å; S146-I149 PolarHBondContact O-N 2.71Å; S146-I149 WeakPolarHBondContact OG-CG1 3.33Å; S146-I149 PolarHBondContact OG-N 2.85Å; I149-K151 PolarHBondContact O-N 3.14Å; I149-L152 PolarHBondContact O-N 3.4Å; I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.47Å; I149-I153 PolarHBondContact O-N 3.24Å
150R97.3Very high95.5Very high94 Ų9432.1 Ų32.136%0.35517%0.173SC..Hα-helixtrans-62.3-42178.2-66.4-175.966.3-144.8-7.1111.8D85 S146 F148 I153 S154D85-R150 PolarHBondContact O-NE 3.31Å; D85-R150 PolarHBondContact O-NH2 3.42Å; S146-R150 WeakPolarHBondContact O-CG 3.42Å; S146-R150 PolarHBondContact O-N 2.61Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 2.9Å; R150-I153 PolarHBondContact O-N 2.96Å; R150-S154 WeakPolarHBondContact O-CB 3.28Å; R150-S154 PolarHBondContact O-N 2.91Å
151K97.3Very high94.9Very high139 Ų13935.3 Ų35.360%0.60418%0.182SC*.Hα-helixtrans-63.7-41.1174.2-76.7175.5-177.2-177.90112.5G147 F148 I149 S154 A155G147-K151 WeakPolarHBondContact O-CB 3.48Å; G147-K151 WeakPolarHBondContact O-CD 3.33Å; G147-K151 WeakPolarHBondContact O-CG 3.29Å; G147-K151 PolarHBondContact O-N 2.85Å; F148-K151 PolarHBondContact O-N 3.29Å; I149-K151 PolarHBondContact O-N 3.14Å; K151-S154 PolarHBondContact O-N 2.94Å; K151-A155 WeakPolarHBondContact O-CB 3.21Å; K151-A155 PolarHBondContact O-N 3.4Å
152L97.8Very high94.1Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-60.7-47.417717662.2000112L31 I34 V35 I38 L47 F148 I149 A155 L156 L190L31-L152 HydrophobicContact CD1-CB 4.1Å; L31-L152 HydrophobicContact CD1-CD1 3.87Å; I34-L152 HydrophobicContact CB-CD1 4.28Å; I34-L152 HydrophobicContact CG2-CD1 3.77Å; I34-L152 HydrophobicContact CG2-CD2 4.32Å; V35-L152 HydrophobicContact CG2-CD1 3.98Å; I38-L152 HydrophobicContact CD1-CD1 4.19Å; I38-L152 HydrophobicContact CD1-CD2 3.94Å; I38-L152 HydrophobicContact CD1-CG 4.4Å; L47-L152 HydrophobicContact CD1-CD2 4.24Å; L47-L152 HydrophobicContact CD2-CD2 4.23Å; F148-L152 HydrophobicContact CE1-CD2 4.16Å; F148-L152 HydrophobicContact CZ-CD2 4.43Å; F148-L152 WeakPolarHBondContact O-CB 3.39Å; F148-L152 PolarHBondContact O-N 2.94Å; I149-L152 PolarHBondContact O-N 3.4Å; L152-A155 PolarHBondContact O-N 2.79Å; L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.23Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.48Å; L152-L190 HydrophobicContact CD2-CD1 4.4Å
153I96.9Very high93.1Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-67.1-39.4178.6-65.9169.1000111.2C83 D85 I149 R150 A155 L156 N157 L190C83-I153 HydrophobicContact CB-CD1 4.19Å; C83-I153 WeakPolarHBondContact SG-CD1 3.4Å; D85-I153 HydrophobicContact CB-CB 3.9Å; D85-I153 HydrophobicContact CB-CG2 3.68Å; I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.47Å; I149-I153 PolarHBondContact O-N 3.24Å; R150-I153 PolarHBondContact O-N 2.96Å; I153-A155 PolarHBondContact O-N 3.07Å; I153-L156 PolarHBondContact O-N 3Å; I153-N157 WeakPolarHBondContact O-CB 3.49Å; I153-N157 PolarHBondContact O-N 2.93Å; I153-L190 HydrophobicContact CD1-CD1 4.22Å; I153-L190 HydrophobicContact CD1-CG 4.42Å; I153-L190 HydrophobicContact CG1-CD1 3.79Å; I153-L190 HydrophobicContact CG1-CG 4Å
154S95.9Very high91.8Very high40 Ų4042.4 Ų42.428%0.2823%0.233SC..Hα-helixtrans-59.8-44.2173.1-1710000111.8R150 K151 N157 E158R150-S154 WeakPolarHBondContact O-CB 3.28Å; R150-S154 PolarHBondContact O-N 2.91Å; K151-S154 PolarHBondContact O-N 2.94Å; S154-N157 VanDerWaalsContact O-CB 3.29Å; S154-N157 WeakPolarHBondContact O-CB 3.23Å; S154-N157 PolarHBondContact O-N 3.46Å; S154-E158 WeakPolarHBondContact O-CG 3.47Å; S154-E158 PolarHBondContact O-N 2.81Å
155A95.8Very high90.4Very high13 Ų1347.2 Ų47.211%0.10726%0.258CS..Hα-helixtrans-68.2-37.4178.700000112.6L31 V35 K151 L152 I153 N157 E158 Q159L31-A155 HydrophobicContact CD2-CB 3.83Å; L31-A155 HydrophobicContact CG-CB 4.22Å; V35-A155 HydrophobicContact CG2-CB 3.67Å; K151-A155 WeakPolarHBondContact O-CB 3.21Å; K151-A155 PolarHBondContact O-N 3.4Å; L152-A155 PolarHBondContact O-N 2.79Å; I153-A155 PolarHBondContact O-N 3.07Å; A155-N157 VanDerWaalsContact C-N 3.29Å; A155-N157 PolarHBondContact O-N 3.22Å; A155-E158 PolarHBondContact O-N 2.98Å; A155-Q159 PolarHBondContact O-N 3.24Å
156L94.8Very high88.8Confident0 Ų047.5 Ų47.50%026%0.258CS..Hα-helixtrans-59.6-41.4170.9-78.4159.8000112V35 I38 L152 I153 T160 H188 L190V35-L156 HydrophobicContact CB-CD2 4.36Å; V35-L156 HydrophobicContact CG1-CD2 3.71Å; V35-L156 HydrophobicContact CG1-CG 4.04Å; V35-L156 HydrophobicContact CG2-CG 4.31Å; I38-L156 HydrophobicContact CB-CD2 4.16Å; I38-L156 HydrophobicContact CD1-CD1 4.46Å; I38-L156 HydrophobicContact CG2-CD1 4.17Å; I38-L156 HydrophobicContact CG2-CD2 3.99Å; L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.23Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.48Å; I153-L156 PolarHBondContact O-N 3Å; L156-T160 WeakPolarHBondContact O-CB 3.32Å; L156-T160 PolarHBondContact O-N 2.92Å; L156-T160 PolarHBondContact O-OG1 2.97Å; L156-H188 HydrophobicContact CB-CB 3.82Å; L156-L190 HydrophobicContact CD1-CD1 4.36Å; L156-L190 HydrophobicContact CD1-CD2 3.66Å; L156-L190 HydrophobicContact CD1-CG 4.21Å
157N92.4Very high86.7Confident4 Ų448.8 Ų48.82%0.02128%0.275CS..Hα-helixtrans-64-47.3177-172.316.1000111.9H89 I153 S154 A155 Q159 T160 R161 G187 H188H89-N157 PolarHBondContact CE1-ND2 2.73Å; I153-N157 WeakPolarHBondContact O-CB 3.49Å; I153-N157 PolarHBondContact O-N 2.93Å; S154-N157 VanDerWaalsContact O-CB 3.29Å; S154-N157 WeakPolarHBondContact O-CB 3.23Å; S154-N157 PolarHBondContact O-N 3.46Å; A155-N157 VanDerWaalsContact C-N 3.29Å; A155-N157 PolarHBondContact O-N 3.22Å; N157-Q159 PolarHBondContact O-N 2.97Å; N157-T160 PolarHBondContact O-N 3.48Å; N157-R161 PolarHBondContact ND2-NH1 2.8Å; N157-R161 PolarHBondContact ND2-NH2 3.14Å; N157-R161 WeakPolarHBondContact O-CG 3.45Å; N157-R161 PolarHBondContact O-N 3.25Å; N157-R161 PolarHBondContact OD1-NH1 3.49Å; N157-R161 PolarHBondContact OD1-NH2 2.78Å; N157-G187 VanDerWaalsContact CG-CA 3.48Å; N157-G187 WeakPolarHBondContact OD1-CA 3.41Å; N157-H188 HydrophobicContact CB-CB 4.26Å
158E91.3Very high84.4Confident112 Ų11251.9 Ų51.952%0.52328%0.28SS..Hα-helixtrans-57.7-48.3174.7-73.3167.2-155.800111.9S154 A155 T160 R161 S162S154-E158 WeakPolarHBondContact O-CG 3.47Å; S154-E158 PolarHBondContact O-N 2.81Å; A155-E158 PolarHBondContact O-N 2.98Å; E158-T160 VanDerWaalsContact C-N 3.31Å; E158-T160 PolarHBondContact O-N 3.4Å; E158-R161 PolarHBondContact O-N 3.03Å; E158-S162 PolarHBondContact O-N 3.49Å; E158-S162 PolarHBondContact O-OG 3Å
159Q88.5Confident82.1Confident42 Ų4257.6 Ų57.620%0.19631%0.311CS..Hα-helixtrans-60.8-41.5178.4-168.3-176.1-70.200111.9V35 S39 A155 N157 S162 S163V35-Q159 HydrophobicContact CG1-CB 4.01Å; V35-Q159 HydrophobicContact CG1-CG 4.43Å; S39-Q159 PolarHBondContact OG-NE2 2.93Å; A155-Q159 PolarHBondContact O-N 3.24Å; N157-Q159 PolarHBondContact O-N 2.97Å; Q159-S162 PolarHBondContact O-N 3.36Å; Q159-S163 PolarHBondContact O-N 3.33Å; Q159-S163 PolarHBondContact O-OG 3.06Å
160T85.5Confident79.9Confident22 Ų2262.8 Ų62.814%0.13534%0.342CS..Hα-helixtrans-62.5-45179.1-56.40000111.4L156 N157 E158 S162 S163 S164 H188L156-T160 WeakPolarHBondContact O-CB 3.32Å; L156-T160 PolarHBondContact O-N 2.92Å; L156-T160 PolarHBondContact O-OG1 2.97Å; N157-T160 PolarHBondContact O-N 3.48Å; E158-T160 VanDerWaalsContact C-N 3.31Å; E158-T160 PolarHBondContact O-N 3.4Å; T160-S162 PolarHBondContact O-N 3.45Å; T160-S163 PolarHBondContact O-N 2.78Å; T160-S164 PolarHBondContact O-N 3.07Å; T160-S164 PolarHBondContact O-OG 2.73Å; T160-H188 PolarHBondContact OG1-ND1 3.09Å
161R85Confident76.9Confident74 Ų7465.2 Ų65.228%0.27936%0.358SS..Hα-helixtrans-60.6-43.9175.6-72.2-177.9174.6110.611.2112.3N157 E158 S163 S164 I165 I184N157-R161 PolarHBondContact ND2-NH1 2.8Å; N157-R161 PolarHBondContact ND2-NH2 3.14Å; N157-R161 WeakPolarHBondContact O-CG 3.45Å; N157-R161 PolarHBondContact O-N 3.25Å; N157-R161 PolarHBondContact OD1-NH1 3.49Å; N157-R161 PolarHBondContact OD1-NH2 2.78Å; E158-R161 PolarHBondContact O-N 3.03Å; R161-S163 VanDerWaalsContact C-N 3.33Å; R161-S163 PolarHBondContact O-N 2.81Å; R161-S164 PolarHBondContact O-N 2.74Å; R161-I165 WeakPolarHBondContact O-CG1 3.39Å; R161-I165 PolarHBondContact O-N 3Å; R161-I165 VanDerWaalsContact O-N 3.11Å; R161-I184 HydrophobicContact CG-CG2 4.36Å; R161-I184 PolarHBondContact NE-O 2.81Å; R161-I184 PolarHBondContact NH2-O 2.75Å
162S81.5Confident74Confident70 Ų7068.8 Ų68.849%0.4938%0.376SS..Hα-helixtrans-61.4-41.4177.9-63.20000112.1E158 Q159 T160 I165 I166E158-S162 PolarHBondContact O-N 3.49Å; E158-S162 PolarHBondContact O-OG 3Å; Q159-S162 PolarHBondContact O-N 3.36Å; T160-S162 PolarHBondContact O-N 3.45Å; S162-I165 PolarHBondContact O-N 3.02Å; S162-I166 WeakPolarHBondContact O-CG1 3.44Å; S162-I166 PolarHBondContact O-N 2.97Å
163S77.1Confident71Confident69 Ų6972.9 Ų72.948%0.48341%0.405SS..Hα-helixtrans-65.3-41.7176.7-65.80000112.8Q159 T160 R161 I165 I166 G167Q159-S163 PolarHBondContact O-N 3.33Å; Q159-S163 PolarHBondContact O-OG 3.06Å; T160-S163 PolarHBondContact O-N 2.78Å; R161-S163 VanDerWaalsContact C-N 3.33Å; R161-S163 PolarHBondContact O-N 2.81Å; S163-I165 PolarHBondContact O-N 2.86Å; S163-I166 PolarHBondContact O-N 3.47Å; S163-G167 PolarHBondContact O-N 2.96Å; S163-G167 VanDerWaalsContact O-N 3.14Å
164S70.3Confident67.9Low19 Ų1979.2 Ų79.213%0.13345%0.449CS..Hα-helixtrans-64.7-36.3177.3-58.70000112.9T160 R161 G167 N168T160-S164 PolarHBondContact O-N 3.07Å; T160-S164 PolarHBondContact O-OG 2.73Å; R161-S164 PolarHBondContact O-N 2.74Å; S164-G167 PolarHBondContact O-N 3.24Å; S164-N168 PolarHBondContact O-N 3.46Å; S164-N168 PolarHBondContact O-ND2 3.28Å
165I68.3Low64.9Low101 Ų10180.5 Ų80.552%0.51847%0.468SS..Hα-helixtrans-66.6-40.2177.3-68165.1000111.3R161 S162 S163 N168 N169R161-I165 WeakPolarHBondContact O-CG1 3.39Å; R161-I165 PolarHBondContact O-N 3Å; R161-I165 VanDerWaalsContact O-N 3.11Å; S162-I165 PolarHBondContact O-N 3.02Å; S163-I165 PolarHBondContact O-N 2.86Å; I165-N168 PolarHBondContact O-N 2.72Å; I165-N169 PolarHBondContact O-N 3.38Å; I165-N169 PolarHBondContact O-ND2 2.7Å
166I62.2Low61.9Low113 Ų11386.1 Ų86.158%0.57951%0.506SS*.Hα-helixtrans-66.8-41.7178.8-65.5167.3000110.5S162 S163 N168 N169S162-I166 WeakPolarHBondContact O-CG1 3.44Å; S162-I166 PolarHBondContact O-N 2.97Å; S163-I166 PolarHBondContact O-N 3.47Å; I166-N168 VanDerWaalsContact C-N 3.33Å; I166-N168 PolarHBondContact O-N 3Å; I166-N169 PolarHBondContact O-N 3.3Å
167G52.6Low59.2Low47 Ų4789.4 Ų89.449%0.48552%0.523SS..Hα-helixtrans-59.7-41.2176.800000113.1S163 S164 N169 V170S163-G167 PolarHBondContact O-N 2.96Å; S163-G167 VanDerWaalsContact O-N 3.14Å; S164-G167 PolarHBondContact O-N 3.24Å; G167-N169 VanDerWaalsContact C-N 3.26Å; G167-N169 PolarHBondContact O-N 2.99Å; G167-V170 PolarHBondContact O-N 3.46Å
168N46.3Very low56.8Low115 Ų11597 Ų9762%0.61556%0.559SS**Hα-helixtrans-69.6-18.1-179.3-72.1-16.8000114.4S164 I165 I166S164-N168 PolarHBondContact O-N 3.46Å; S164-N168 PolarHBondContact O-ND2 3.28Å; I165-N168 PolarHBondContact O-N 2.72Å; I166-N168 VanDerWaalsContact C-N 3.33Å; I166-N168 PolarHBondContact O-N 3Å
169N49.4Very low54.8Low135 Ų13598.7 Ų98.772%0.72256%0.56SS**THydrogen-bonded Turntrans-91.6-3.8179.2-73.6-30.8000113.7I165 I166 G167I165-N169 PolarHBondContact O-N 3.38Å; I165-N169 PolarHBondContact O-ND2 2.7Å; I166-N169 PolarHBondContact O-N 3.3Å; G167-N169 VanDerWaalsContact C-N 3.26Å; G167-N169 PolarHBondContact O-N 2.99Å
170V51.5Low53Low110 Ų110100.9 Ų100.967%0.66757%0.573SS**THydrogen-bonded Turntrans-109.9-15.3-172.7-179.80000113.9G167G167-V170 PolarHBondContact O-N 3.46Å
171E35.3Very low51.4Low145 Ų145102.9 Ų102.968%0.67859%0.588SS**  trans-139110.5179-68.3-170.4173.200114.4S173E171-S173 PolarHBondContact O-N 3.04Å; E171-S173 VanDerWaalsContact O-N 3.08Å
172H35.7Very low50.1Low214 Ų214101.3 Ų101.399%0.99159%0.585SS**  trans-71.382.8150.9-99.8-56.2000108.3
173S34Very low48.9Very low86 Ų8698.3 Ų98.360%0.60156%0.563SS**  trans-148135.4159.6760000110.6E171 G175E171-S173 PolarHBondContact O-N 3.04Å; E171-S173 VanDerWaalsContact O-N 3.08Å; S173-G175 PolarHBondContact O-N 3.31Å
174S31.9Very low48.2Very low133 Ų13398.1 Ų98.193%0.9356%0.556SS**SBendtrans-64.6109.5-167.248.80000112.9
175G33.2Very low48.4Very low66 Ų6699.9 Ų99.968%0.6857%0.569SS**  trans165.360.917000000112.4S173 D177S173-G175 PolarHBondContact O-N 3.31Å; G175-D177 VanDerWaalsContact C-N 3.31Å; G175-D177 PolarHBondContact O-N 3.28Å
176C32.5Very low49Very low132 Ų13295 Ų9589%0.89254%0.544SS*.  trans-62.999.5168.2-57.20000107.5E178C176-E178 PolarHBondContact O-N 3.23Å
177D38.6Very low50.2Low69 Ų6989.7 Ų89.737%0.36952%0.516SS..  trans-70.5112.7176.8-150.8-13.4000107.7G175 R179 D180G175-D177 VanDerWaalsContact C-N 3.31Å; G175-D177 PolarHBondContact O-N 3.28Å; D177-R179 HydrophobicContact CB-CB 4.39Å; D177-R179 VanDerWaalsContact CG-NH2 3.31Å; D177-R179 PolarHBondContact O-N 3.18Å; D177-R179 WeakPolarHBondContact OD1-CG 3.15Å; D177-R179 IonicContact OD1-CZ 3.99Å; D177-R179 IonicContact OD1-NE 2.68Å; D177-R179 PolarHBondContact OD1-NE 2.98Å; D177-R179 IonicContact OD1-NH2 3.46Å; D177-R179 PolarHBondContact OD1-NH2 3.48Å; D177-R179 IonicContact OD2-CZ 2.66Å; D177-R179 IonicContact OD2-NE 3.02Å; D177-R179 PolarHBondContact OD2-NE 3.45Å; D177-R179 IonicContact OD2-NH1 3.6Å; D177-R179 IonicContact OD2-NH2 2.81Å; D177-R179 PolarHBondContact OD2-NH2 2.92Å; D177-D180 PolarHBondContact O-N 3.2Å
178E42.9Very low52.1Low164 Ų16487.8 Ų87.877%0.76650%0.495SS*.Hα-helixtrans-51.6-22.3178-72.4-176.4162.500111.7C176 D180 S181C176-E178 PolarHBondContact O-N 3.23Å; E178-D180 PolarHBondContact O-N 3.02Å; E178-S181 WeakPolarHBondContact O-CB 3.29Å; E178-S181 PolarHBondContact O-N 3.18Å; E178-S181 PolarHBondContact O-OG 3.04Å
179R49.6Very low54.4Low147 Ų14782.3 Ų82.356%0.55547%0.466SS*.Hα-helixtrans-53-31.6173.5-67.9-174.2-89.3176.93.8114.5D177D177-R179 HydrophobicContact CB-CB 4.39Å; D177-R179 VanDerWaalsContact CG-NH2 3.31Å; D177-R179 PolarHBondContact O-N 3.18Å; D177-R179 WeakPolarHBondContact OD1-CG 3.15Å; D177-R179 IonicContact OD1-CZ 3.99Å; D177-R179 IonicContact OD1-NE 2.68Å; D177-R179 PolarHBondContact OD1-NE 2.98Å; D177-R179 IonicContact OD1-NH2 3.46Å; D177-R179 PolarHBondContact OD1-NH2 3.48Å; D177-R179 IonicContact OD2-CZ 2.66Å; D177-R179 IonicContact OD2-NE 3.02Å; D177-R179 PolarHBondContact OD2-NE 3.45Å; D177-R179 IonicContact OD2-NH1 3.6Å; D177-R179 IonicContact OD2-NH2 2.81Å; D177-R179 PolarHBondContact OD2-NH2 2.92Å
180D49.3Very low56.7Low88 Ų8875.9 Ų75.947%0.47143%0.432SS..Hα-helixtrans-83.9-24.3177.8-78.4-20.9000113.1D177 E178 I182 S183 I184D177-D180 PolarHBondContact O-N 3.2Å; E178-D180 PolarHBondContact O-N 3.02Å; D180-I182 PolarHBondContact O-N 2.75Å; D180-S183 WeakPolarHBondContact O-CB 3.5Å; D180-S183 PolarHBondContact O-N 3.23Å; D180-I184 WeakPolarHBondContact O-CG1 3.43Å; D180-I184 PolarHBondContact O-N 2.88Å
181S51.7Low58.8Low64 Ų6470.7 Ų70.745%0.44840%0.4SS..Hα-helixtrans-65.5-38.9-177.873.30000112.5E178 S183 I184 S185E178-S181 WeakPolarHBondContact O-CB 3.29Å; E178-S181 PolarHBondContact O-N 3.18Å; E178-S181 PolarHBondContact O-OG 3.04Å; S181-S183 VanDerWaalsContact C-N 3.31Å; S181-S183 PolarHBondContact O-N 2.65Å; S181-I184 PolarHBondContact O-N 3.39Å; S181-I184 VanDerWaalsContact O-N 3.11Å; S181-S185 PolarHBondContact O-N 2.96Å; S181-S185 PolarHBondContact O-OG 3.49Å
182I57.8Low61.7Low41 Ų4164.6 Ų64.621%0.2137%0.372CS..Hα-helixtrans-63.8-37.4176-86.1164.6000111.5W93 P126 D180 I184 S185 G186W93-I182 HydrophobicContact CH2-CG2 4.18Å; W93-I182 HydrophobicContact CZ2-CG2 4.16Å; P126-I182 HydrophobicContact CB-CD1 4.05Å; P126-I182 HydrophobicContact CB-CG2 3.96Å; P126-I182 HydrophobicContact CG-CD1 4.24Å; P126-I182 HydrophobicContact CG-CG2 4.38Å; D180-I182 PolarHBondContact O-N 2.75Å; I182-I184 PolarHBondContact O-N 3.46Å; I182-S185 PolarHBondContact O-N 2.97Å; I182-G186 WeakPolarHBondContact O-CA 3.44Å; I182-G186 PolarHBondContact O-N 3.03Å
183S57.7Low64.5Low6 Ų655.1 Ų55.14%0.04233%0.329CS..Hα-helixtrans-62.7-30176.5-52.80000111.6F60 D180 S181F60-S183 VanDerWaalsContact CE1-OG 3.22Å; F60-S183 WeakPolarHBondContact CE1-OG 3.35Å; D180-S183 WeakPolarHBondContact O-CB 3.5Å; D180-S183 PolarHBondContact O-N 3.23Å; S181-S183 VanDerWaalsContact C-N 3.31Å; S181-S183 PolarHBondContact O-N 2.65Å
184I61.1Low67.3Low65 Ų6552.3 Ų52.333%0.33331%0.31SS..Hα-helixtrans-81.1-34.7-177.5-60.8166.3000111.7R161 D180 S181 I182R161-I184 HydrophobicContact CG-CG2 4.36Å; R161-I184 PolarHBondContact NE-O 2.81Å; R161-I184 PolarHBondContact NH2-O 2.75Å; D180-I184 WeakPolarHBondContact O-CG1 3.43Å; D180-I184 PolarHBondContact O-N 2.88Å; S181-I184 PolarHBondContact O-N 3.39Å; S181-I184 VanDerWaalsContact O-N 3.11Å; I182-I184 PolarHBondContact O-N 3.46Å
185S76.1Confident70.1Confident56 Ų5646 Ų4639%0.39227%0.265SS..Hα-helixtrans-102.1-35.7-178.956.50000113.9H92 S181 I182 G187H92-S185 PolarHBondContact CD2-OG 3.04Å; H92-S185 VanDerWaalsContact CD2-OG 3.27Å; H92-S185 PolarHBondContact NE2-OG 2.95Å; S181-S185 PolarHBondContact O-N 2.96Å; S181-S185 PolarHBondContact O-OG 3.49Å; I182-S185 PolarHBondContact O-N 2.97Å; S185-G187 PolarHBondContact O-N 3.4Å
186G80.2Confident72.6Confident0 Ų043.3 Ų43.30%024%0.235CC..SBendtrans-85.4-4-169.600000116.1H89 H92 W93 I182H89-G186 WeakPolarHBondContact CB-O 3.44Å; H92-G186 VanDerWaalsContact CB-CA 3.45Å; W93-G186 PolarHBondContact NE1-O 3.23Å; I182-G186 WeakPolarHBondContact O-CA 3.44Å; I182-G186 PolarHBondContact O-N 3.03Å
187G86.8Confident75.1Confident0 Ų039.5 Ų39.50%021%0.206CC..  trans92-177.7-178.100000114.2N157 S185 P189N157-G187 VanDerWaalsContact CG-CA 3.48Å; N157-G187 WeakPolarHBondContact OD1-CA 3.41Å; S185-G187 PolarHBondContact O-N 3.4Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å
188H92.9Very high77.1Confident7 Ų739.1 Ų39.13%0.03221%0.208CC..  trans-116.883.7174.9-166.3112.4000110.7S58 F60 L156 N157 T160S58-H188 WeakPolarHBondContact CB-NE2 3.39Å; S58-H188 PolarHBondContact OG-CE1 2.81Å; S58-H188 PolarHBondContact OG-NE2 3.26Å; F60-H188 AromaticContact CD2-CD2 3.93Å; F60-H188 AromaticContact CD2-CE1 3.31Å; F60-H188 WeakPolarHBondContact CD2-CE1 3.37Å; F60-H188 AromaticContact CD2-CG 3.99Å; F60-H188 AromaticContact CD2-ND1 3.59Å; F60-H188 AromaticContact CD2-NE2 3.52Å; F60-H188 HydrophobicContact CE2-CB 4.19Å; F60-H188 AromaticContact CE2-CD2 3.84Å; F60-H188 AromaticContact CE2-CE1 3.62Å; F60-H188 AromaticContact CE2-CG 3.54Å; F60-H188 AromaticContact CE2-ND1 3.37Å; F60-H188 WeakPolarHBondContact CE2-ND1 3.47Å; F60-H188 AromaticContact CE2-NE2 3.9Å; L156-H188 HydrophobicContact CB-CB 3.82Å; N157-H188 HydrophobicContact CB-CB 4.26Å; T160-H188 PolarHBondContact OG1-ND1 3.09Å
189P95.1Very high78.9Confident0 Ų035 Ų350%021%0.211CC..PPolyproline II helixtrans-64.2148.4-176.9-12.522.2000111.7V59 I82 C83 L84 W93 G187V59-P189 HydrophobicContact CB-CB 4.29Å; V59-P189 WeakPolarHBondContact CB-O 3.33Å; V59-P189 HydrophobicContact CG1-CB 3.94Å; V59-P189 HydrophobicContact CG1-CG 3.87Å; V59-P189 WeakPolarHBondContact CG1-O 3.41Å; V59-P189 PolarHBondContact N-O 3.25Å; V59-P189 VanDerWaalsContact N-O 3.07Å; I82-P189 HydrophobicContact CB-CB 4.16Å; I82-P189 HydrophobicContact CD1-CB 4.31Å; I82-P189 HydrophobicContact CD1-CG 4.47Å; C83-P189 WeakPolarHBondContact O-CA 3.18Å; L84-P189 HydrophobicContact CD2-CB 3.81Å; L84-P189 HydrophobicContact CD2-CG 3.67Å; W93-P189 HydrophobicContact CD2-CG 3.62Å; W93-P189 HydrophobicContact CE3-CG 4.02Å; W93-P189 HydrophobicContact CG-CG 4.34Å; W93-P189 HydrophobicContact CH2-CG 3.54Å; W93-P189 HydrophobicContact CZ2-CG 3.12Å; W93-P189 HydrophobicContact CZ3-CG 3.96Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å
190L96.9Very high80.6Confident1 Ų133.1 Ų33.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-96.8142.5163.2-61.4176.9000109.1I38 L47 A56 C57 I82 C83 L152 I153 L156I38-L190 HydrophobicContact CG2-CD2 3.69Å; L47-L190 HydrophobicContact CD1-CD1 4.32Å; A56-L190 HydrophobicContact CB-CB 4.31Å; A56-L190 HydrophobicContact CB-CD1 4.16Å; C57-L190 CarbonylContact O-C 3.57Å; C57-L190 WeakPolarHBondContact O-CA 3.26Å; C57-L190 WeakPolarHBondContact O-CD2 3.27Å; I82-L190 CarbonylContact C-O 3.37Å; I82-L190 VanDerWaalsContact CA-O 3.28Å; I82-L190 WeakPolarHBondContact CA-O 3.23Å; C83-L190 HydrophobicContact CB-CB 4.27Å; C83-L190 PolarHBondContact N-O 3.17Å; C83-L190 PolarHBondContact O-N 2.87Å; L152-L190 HydrophobicContact CD2-CD1 4.4Å; I153-L190 HydrophobicContact CD1-CD1 4.22Å; I153-L190 HydrophobicContact CD1-CG 4.42Å; I153-L190 HydrophobicContact CG1-CD1 3.79Å; I153-L190 HydrophobicContact CG1-CG 4Å; L156-L190 HydrophobicContact CD1-CD1 4.36Å; L156-L190 HydrophobicContact CD1-CD2 3.66Å; L156-L190 HydrophobicContact CD1-CG 4.21Å
191V96.1Very high82.5Confident0 Ų032.9 Ų32.90%021%0.211CC..EExtended strand (participates in β ladder)trans-66.3138.3155.2173.70000107.4A56 C57 V59 I65 M80 L132A56-V191 WeakPolarHBondContact CA-O 3.42Å; A56-V191 WeakPolarHBondContact CB-O 3.44Å; C57-V191 PolarHBondContact N-O 3.46Å; C57-V191 PolarHBondContact O-N 2.88Å; V59-V191 HydrophobicContact CB-CG2 4.42Å; V59-V191 HydrophobicContact CG2-CG2 4.27Å; I65-V191 HydrophobicContact CD1-CG2 4.05Å; I65-V191 HydrophobicContact CG1-CG2 3.93Å; M80-V191 HydrophobicContact CB-CG1 3.74Å; M80-V191 HydrophobicContact CE-CG1 3.8Å; M80-V191 HydrophobicContact CG-CG1 4.34Å; M80-V191 HydrophobicContact SD-CG1 3.75Å; L132-V191 HydrophobicContact CD1-CG1 4.49Å; L132-V191 HydrophobicContact CD1-CG2 3.88Å; L132-V191 HydrophobicContact CD2-CG2 3.89Å
192L95.6Very high84.4Confident18 Ų1830.8 Ų30.89%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-137.4129.4178.5-176.468.7000111.1T49 L55 A56 A81 C83 R142 P144T49-L192 HydrophobicContact CG2-CD1 4.47Å; T49-L192 HydrophobicContact CG2-CD2 4.27Å; L55-L192 WeakPolarHBondContact O-CA 3.04Å; A56-L192 HydrophobicContact CB-CD1 4.11Å; A81-L192 PolarHBondContact O-N 3.43Å; C83-L192 HydrophobicContact CB-CB 3.76Å; C83-L192 HydrophobicContact CB-CD2 3.96Å; C83-L192 HydrophobicContact CB-CG 4.46Å; R142-L192 HydrophobicContact CG-CD2 4.04Å; P144-L192 HydrophobicContact CG-CD2 4.13Å
193T94Very high86.1Confident15 Ų1528.9 Ų28.99%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-148.7158.1177.1-166.70000110.7G54 L55 I68 K72 R74 M80G54-T193 CarbonylContact C-O 3.51Å; G54-T193 WeakPolarHBondContact CA-O 2.82Å; L55-T193 HydrophobicContact CB-CG2 4.22Å; L55-T193 PolarHBondContact N-O 3.13Å; L55-T193 PolarHBondContact O-N 2.66Å; I68-T193 HydrophobicContact CG2-CG2 3.61Å; K72-T193 HydrophobicContact CD-CG2 3.47Å; K72-T193 VanDerWaalsContact CD-CG2 3.47Å; K72-T193 PolarHBondContact NZ-OG1 3.46Å; R74-T193 PolarHBondContact NH1-OG1 3.04Å; R74-T193 PolarHBondContact NH2-OG1 3.23Å; M80-T193 HydrophobicContact SD-CG2 4.02Å
194S92.8Very high87.9Confident27 Ų2729.7 Ų29.719%0.18919%0.191CC..EExtended strand (participates in β ladder)trans-56.5141.6-17867.70000113.3K72 N196K72-S194 PolarHBondContact NZ-O 2.81Å; K72-S194 PolarHBondContact NZ-OG 3.26Å; S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 WeakPolarHBondContact CB-OD1 3.43Å; S194-N196 PolarHBondContact O-N 3.25Å; S194-N196 VanDerWaalsContact O-N 3.1Å; S194-N196 PolarHBondContact OG-OD1 3.11Å
195A90.6Very high89.5Confident0 Ų029.6 Ų29.60%019%0.189CC..SBendtrans-86.167.5178.400000111.6Y53 L55 A203 F209Y53-A195 PolarHBondContact O-N 3.42Å; L55-A195 HydrophobicContact CD2-CB 3.95Å; L55-A195 HydrophobicContact CG-CB 3.98Å; A195-A203 WeakPolarHBondContact O-CB 3.35Å; A195-F209 HydrophobicContact CB-CD1 4.22Å; A195-F209 HydrophobicContact CB-CD2 4.35Å; A195-F209 HydrophobicContact CB-CE1 4.25Å; A195-F209 HydrophobicContact CB-CE2 4.47Å; A195-F209 HydrophobicContact CB-CG 4.23Å; A195-F209 HydrophobicContact CB-CZ 4.41Å; A195-F209 WeakPolarHBondContact O-CB 3.47Å; A195-F209 WeakPolarHBondContact O-CG 3.16Å
196N87.1Confident90.4Very high9 Ų927.2 Ų27.25%0.04817%0.171CC..SBendtrans-155.8156.1174.361.5-76.5000109.3K72 S194 Q200 P201K72-N196 WeakPolarHBondContact CE-O 3.47Å; S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 WeakPolarHBondContact CB-OD1 3.43Å; S194-N196 PolarHBondContact O-N 3.25Å; S194-N196 VanDerWaalsContact O-N 3.1Å; S194-N196 PolarHBondContact OG-OD1 3.11Å; N196-Q200 HydrophobicContact CB-CB 4.41Å; N196-Q200 PolarHBondContact ND2-O 3.48Å; N196-P201 WeakPolarHBondContact CB-O 3.45Å
197L84.9Confident91.1Very high52 Ų5232 Ų3227%0.27219%0.194SC..  trans-60.1148.2169.7-68.8-178.9000110.6I71 G199 Q200 E211 I212I71-L197 WeakPolarHBondContact O-CD2 3.42Å; L197-G199 PolarHBondContact O-N 3.3Å; L197-Q200 HydrophobicContact CB-CB 4.5Å; L197-Q200 HydrophobicContact CB-CG 3.86Å; L197-Q200 WeakPolarHBondContact O-CB 3.37Å; L197-Q200 PolarHBondContact O-N 2.99Å; L197-E211 HydrophobicContact CD1-CG 4.29Å; L197-E211 WeakPolarHBondContact CD1-OE1 3.37Å; L197-E211 HydrophobicContact CG-CG 4.47Å; L197-E211 WeakPolarHBondContact CG-OE1 3.5Å; L197-I212 HydrophobicContact CD2-CG2 3.63Å; L197-I212 HydrophobicContact CG-CG2 4.04Å
198S80.5Confident91.5Very high61 Ų6134.9 Ų34.943%0.42721%0.207SC..THydrogen-bonded Turntrans-58.6129.2177.9-168.30000110.7K72 Q200K72-S198 VanDerWaalsContact O-CB 3.26Å; K72-S198 WeakPolarHBondContact O-CB 3.38Å; K72-S198 PolarHBondContact O-N 3.22Å; S198-Q200 VanDerWaalsContact C-N 3.34Å
199G81.1Confident91.6Very high79 Ų7934.5 Ų34.581%0.81421%0.206SC*.THydrogen-bonded Turntrans90.8-15.9-177.300000114.8L197L197-G199 PolarHBondContact O-N 3.3Å
200Q84.8Confident91.5Very high106 Ų10637.6 Ų37.650%0.49523%0.227SC..SBendtrans-80.4158.7174.7-63.4-61.9-13.200112.1N196 L197 S198N196-Q200 HydrophobicContact CB-CB 4.41Å; N196-Q200 PolarHBondContact ND2-O 3.48Å; L197-Q200 HydrophobicContact CB-CB 4.5Å; L197-Q200 HydrophobicContact CB-CG 3.86Å; L197-Q200 WeakPolarHBondContact O-CB 3.37Å; L197-Q200 PolarHBondContact O-N 2.99Å; S198-Q200 VanDerWaalsContact C-N 3.34Å
201P88Confident91.3Very high84 Ų8442.6 Ų42.655%0.54525%0.25SS..PPolyproline II helixtrans-55.2145.9172.2-2534.8000112.4N196 A203N196-P201 WeakPolarHBondContact CB-O 3.45Å; P201-A203 PolarHBondContact O-N 2.68Å
202S92.5Very high91.1Very high20 Ų2043 Ų4314%0.1425%0.252CS..PPolyproline II helixtrans-62.4134.7172.6-52.20000110.4R238S202-R238 WeakPolarHBondContact CB-O 3.22Å; S202-R238 PolarHBondContact O-NH1 3.35Å; S202-R238 PolarHBondContact OG-O 3.37Å; S202-R238 VanDerWaalsContact OG-O 3.08Å
203A93.7Very high91Very high1 Ų145.2 Ų45.21%0.00826%0.26CS..PPolyproline II helixtrans-80.3131.6-179.800000112.9I52 Y53 A195 P201 E208 F209I52-A203 WeakPolarHBondContact CB-O 3.41Å; Y53-A203 PolarHBondContact N-O 3.26Å; A195-A203 WeakPolarHBondContact O-CB 3.35Å; P201-A203 PolarHBondContact O-N 2.68Å; A203-E208 WeakPolarHBondContact CA-OE2 3.31Å; A203-E208 HydrophobicContact CB-CB 4.02Å; A203-F209 HydrophobicContact CB-CB 4.41Å; A203-F209 HydrophobicContact CB-CD1 3.47Å; A203-F209 VanDerWaalsContact CB-CD1 3.47Å; A203-F209 HydrophobicContact CB-CE1 4.15Å; A203-F209 HydrophobicContact CB-CG 4.38Å
204I94.5Very high90.9Very high22 Ų2249.2 Ų49.211%0.11329%0.288CS..SBendtrans-110.5-6.4175.161172.2000112.6I52 Y53 E208 P224 I225 R238I52-I204 HydrophobicContact CG2-CG2 4.33Å; Y53-I204 WeakPolarHBondContact CE2-O 3.35Å; I204-E208 WeakPolarHBondContact CG1-OE2 3.21Å; I204-E208 PolarHBondContact N-OE2 3.47Å; I204-P224 CarbonylContact O-C 3.55Å; I204-P224 WeakPolarHBondContact O-CA 3.39Å; I204-I225 HydrophobicContact CB-CB 4.3Å; I204-I225 PolarHBondContact O-N 3.36Å; I204-R238 HydrophobicContact CG2-CG 4.04Å
205Q95Very high90.9Very high64 Ų6450.5 Ų50.530%0.29930%0.297SS..SBendtrans-148.9163.117462.4-165.9-24.300109.4E207 E208 P224Q205-E207 VanDerWaalsContact C-N 3.34Å; Q205-E207 PolarHBondContact O-N 2.85Å; Q205-E208 HydrophobicContact CG-CG 3.66Å; Q205-E208 PolarHBondContact NE2-OE1 2.96Å; Q205-E208 PolarHBondContact O-N 2.99Å; Q205-P224 HydrophobicContact CB-CB 4.4Å; Q205-P224 HydrophobicContact CB-CG 4.47Å
206I95.8Very high91.1Very high5 Ų550.5 Ų50.53%0.02630%0.297CS..G310 helixtrans-69.1-31.8-166.864.4167.6000113.7I21 Y53 E208 F209 W213 I219 N221I21-I206 HydrophobicContact CD1-CD1 4.22Å; I21-I206 HydrophobicContact CG2-CD1 3.72Å; Y53-I206 HydrophobicContact CD1-CG2 4.28Å; Y53-I206 HydrophobicContact CE1-CG2 3.55Å; I206-E208 PolarHBondContact O-N 3.13Å; I206-F209 VanDerWaalsContact CA-CE1 3.42Å; I206-F209 HydrophobicContact CB-CE1 4.22Å; I206-F209 HydrophobicContact CB-CZ 4.04Å; I206-F209 HydrophobicContact CG2-CE1 4.31Å; I206-F209 HydrophobicContact CG2-CZ 4Å; I206-F209 WeakPolarHBondContact O-CD1 3.37Å; I206-F209 PolarHBondContact O-N 2.78Å; I206-W213 HydrophobicContact CB-CZ2 4.18Å; I206-W213 HydrophobicContact CD1-CZ2 4.18Å; I206-W213 HydrophobicContact CG1-CZ2 4.07Å; I206-W213 VanDerWaalsContact O-CZ2 3.28Å; I206-W213 WeakPolarHBondContact O-CZ2 3.41Å; I206-W213 PolarHBondContact O-NE1 2.83Å; I206-I219 HydrophobicContact CB-CG2 4.27Å; I206-I219 HydrophobicContact CG2-CG2 3.82Å; I206-N221 HydrophobicContact CD1-CB 4.16Å; I206-N221 WeakPolarHBondContact CD1-ND2 3.47Å; I206-N221 HydrophobicContact CG2-CB 4.13Å
207E94.9Very high91.5Very high100 Ų10051.1 Ų51.147%0.46730%0.301SS..G310 helixtrans-64.4-28.2-177.1-67.669.8-152.700111.8Q205 F209 S210Q205-E207 VanDerWaalsContact C-N 3.34Å; Q205-E207 PolarHBondContact O-N 2.85Å; E207-F209 PolarHBondContact O-N 3.45Å; E207-S210 VanDerWaalsContact O-CB 3.3Å; E207-S210 WeakPolarHBondContact O-CB 3.3Å; E207-S210 PolarHBondContact O-N 3Å; E207-S210 PolarHBondContact O-OG 2.99Å
208E94.5Very high92Very high61 Ų6148.8 Ų48.829%0.28529%0.289SS..G310 helixtrans-71.2-12.7-177-66.7178.2175.900113.8A203 I204 Q205 I206 R238A203-E208 WeakPolarHBondContact CA-OE2 3.31Å; A203-E208 HydrophobicContact CB-CB 4.02Å; I204-E208 WeakPolarHBondContact CG1-OE2 3.21Å; I204-E208 PolarHBondContact N-OE2 3.47Å; Q205-E208 HydrophobicContact CG-CG 3.66Å; Q205-E208 PolarHBondContact NE2-OE1 2.96Å; Q205-E208 PolarHBondContact O-N 2.99Å; I206-E208 PolarHBondContact O-N 3.13Å; E208-R238 IonicContact OE1-CZ 3.59Å; E208-R238 IonicContact OE1-NH1 3.91Å; E208-R238 PolarHBondContact OE1-NH1 2.67Å; E208-R238 IonicContact OE1-NH2 2.71Å; E208-R238 PolarHBondContact OE1-NH2 2.77Å; E208-R238 IonicContact OE2-CZ 3.54Å; E208-R238 IonicContact OE2-NH1 3.48Å; E208-R238 PolarHBondContact OE2-NH1 3.48Å; E208-R238 IonicContact OE2-NH2 3.49Å; E208-R238 PolarHBondContact OE2-NH2 2.99Å
209F94.1Very high92.9Very high0 Ų045.9 Ų45.90%027%0.268CS..G310 helixtrans-125.126.6173.462.6-91000112.4A46 Y53 A195 A203 I206 E207 E211 I212 W213 I216 I219A46-F209 HydrophobicContact CB-CE2 3.88Å; A46-F209 HydrophobicContact CB-CZ 4.03Å; Y53-F209 AromaticContact CD1-CE1 3.85Å; Y53-F209 HydrophobicContact CD1-CE1 3.85Å; Y53-F209 AromaticContact CD1-CZ 3.88Å; Y53-F209 HydrophobicContact CD1-CZ 3.88Å; Y53-F209 HydrophobicContact CD2-CE1 4.4Å; Y53-F209 AromaticContact CG-CE1 3.72Å; Y53-F209 HydrophobicContact CG-CE1 3.72Å; Y53-F209 HydrophobicContact CG-CZ 4.23Å; A195-F209 HydrophobicContact CB-CD1 4.22Å; A195-F209 HydrophobicContact CB-CD2 4.35Å; A195-F209 HydrophobicContact CB-CE1 4.25Å; A195-F209 HydrophobicContact CB-CE2 4.47Å; A195-F209 HydrophobicContact CB-CG 4.23Å; A195-F209 HydrophobicContact CB-CZ 4.41Å; A195-F209 WeakPolarHBondContact O-CB 3.47Å; A195-F209 WeakPolarHBondContact O-CG 3.16Å; A203-F209 HydrophobicContact CB-CB 4.41Å; A203-F209 HydrophobicContact CB-CD1 3.47Å; A203-F209 VanDerWaalsContact CB-CD1 3.47Å; A203-F209 HydrophobicContact CB-CE1 4.15Å; A203-F209 HydrophobicContact CB-CG 4.38Å; I206-F209 VanDerWaalsContact CA-CE1 3.42Å; I206-F209 HydrophobicContact CB-CE1 4.22Å; I206-F209 HydrophobicContact CB-CZ 4.04Å; I206-F209 HydrophobicContact CG2-CE1 4.31Å; I206-F209 HydrophobicContact CG2-CZ 4Å; I206-F209 WeakPolarHBondContact O-CD1 3.37Å; I206-F209 PolarHBondContact O-N 2.78Å; E207-F209 PolarHBondContact O-N 3.45Å; F209-E211 PolarHBondContact O-N 2.94Å; F209-E211 VanDerWaalsContact O-N 3.14Å; F209-I212 HydrophobicContact CB-CD1 4.16Å; F209-I212 HydrophobicContact CB-CG1 3.99Å; F209-I212 HydrophobicContact CD2-CD1 4.28Å; F209-I212 HydrophobicContact CD2-CG1 4.12Å; F209-I212 WeakPolarHBondContact O-CG1 3.44Å; F209-I212 PolarHBondContact O-N 3.04Å; F209-I212 VanDerWaalsContact O-N 3.11Å; F209-W213 AromaticContact CD2-CD1 3.63Å; F209-W213 AromaticContact CD2-NE1 3.57Å; F209-W213 AromaticContact CE2-CD1 3.82Å; F209-W213 AromaticContact CE2-NE1 3.6Å; F209-I216 HydrophobicContact CD2-CD1 4.16Å; F209-I216 HydrophobicContact CE2-CD1 4.2Å; F209-I219 HydrophobicContact CE2-CD1 4.45Å; F209-I219 HydrophobicContact CE2-CG1 4.46Å; F209-I219 HydrophobicContact CE2-CG2 4.26Å; F209-I219 HydrophobicContact CZ-CG2 4.17Å
210S94.1Very high93.6Very high65 Ų6542.1 Ų42.146%0.45523%0.23SC..G310 helixtrans-55.3-29.2177.751.70000114E207 I212 W213E207-S210 VanDerWaalsContact O-CB 3.3Å; E207-S210 WeakPolarHBondContact O-CB 3.3Å; E207-S210 PolarHBondContact O-N 3Å; E207-S210 PolarHBondContact O-OG 2.99Å; S210-I212 VanDerWaalsContact C-N 3.27Å; S210-I212 PolarHBondContact O-N 2.77Å; S210-W213 WeakPolarHBondContact O-CB 3.34Å; S210-W213 PolarHBondContact O-N 3.04Å
211E91.9Very high94.2Very high105 Ų10539.3 Ų39.349%0.49122%0.218SC..G310 helixtrans-59.2-31.5176.664-177-178.500114.1L197 F209L197-E211 HydrophobicContact CD1-CG 4.29Å; L197-E211 WeakPolarHBondContact CD1-OE1 3.37Å; L197-E211 HydrophobicContact CG-CG 4.47Å; L197-E211 WeakPolarHBondContact CG-OE1 3.5Å; F209-E211 PolarHBondContact O-N 2.94Å; F209-E211 VanDerWaalsContact O-N 3.14Å
212I92.2Very high94.6Very high8 Ų837.5 Ų37.54%0.04121%0.214CC..G310 helixtrans-99.9-1-179.757.8167.5000113.2L55 I71 L197 F209 S210 S214 S215 I216L55-I212 HydrophobicContact CD1-CD1 4.06Å; L55-I212 HydrophobicContact CD2-CD1 4.32Å; I71-I212 HydrophobicContact CG2-CB 3.98Å; I71-I212 HydrophobicContact CG2-CD1 3.97Å; I71-I212 HydrophobicContact CG2-CG2 3.91Å; L197-I212 HydrophobicContact CD2-CG2 3.63Å; L197-I212 HydrophobicContact CG-CG2 4.04Å; F209-I212 HydrophobicContact CB-CD1 4.16Å; F209-I212 HydrophobicContact CB-CG1 3.99Å; F209-I212 HydrophobicContact CD2-CD1 4.28Å; F209-I212 HydrophobicContact CD2-CG1 4.12Å; F209-I212 WeakPolarHBondContact O-CG1 3.44Å; F209-I212 PolarHBondContact O-N 3.04Å; F209-I212 VanDerWaalsContact O-N 3.11Å; S210-I212 VanDerWaalsContact C-N 3.27Å; S210-I212 PolarHBondContact O-N 2.77Å; I212-S214 PolarHBondContact O-N 3.43Å; I212-S215 PolarHBondContact O-N 3.03Å; I212-I216 HydrophobicContact CD1-CD1 3.97Å; I212-I216 HydrophobicContact CG1-CD1 3.93Å
213W93.9Very high94.7Very high65 Ų6537.6 Ų37.625%0.24622%0.219CC..G310 helixtrans-52.9-43.7-177.7-75.52.9000111.6K20 I21 I206 F209 S210 S215 I216 I219K20-W213 WeakPolarHBondContact CE-O 3.41Å; K20-W213 PolarHBondContact NZ-O 3.09Å; I21-W213 HydrophobicContact CD1-CE3 4.17Å; I21-W213 HydrophobicContact CD1-CH2 3.89Å; I21-W213 HydrophobicContact CD1-CZ2 4.25Å; I21-W213 HydrophobicContact CD1-CZ3 3.86Å; I206-W213 HydrophobicContact CB-CZ2 4.18Å; I206-W213 HydrophobicContact CD1-CZ2 4.18Å; I206-W213 HydrophobicContact CG1-CZ2 4.07Å; I206-W213 VanDerWaalsContact O-CZ2 3.28Å; I206-W213 WeakPolarHBondContact O-CZ2 3.41Å; I206-W213 PolarHBondContact O-NE1 2.83Å; F209-W213 AromaticContact CD2-CD1 3.63Å; F209-W213 AromaticContact CD2-NE1 3.57Å; F209-W213 AromaticContact CE2-CD1 3.82Å; F209-W213 AromaticContact CE2-NE1 3.6Å; S210-W213 WeakPolarHBondContact O-CB 3.34Å; S210-W213 PolarHBondContact O-N 3.04Å; W213-S215 PolarHBondContact O-N 3.29Å; W213-I216 PolarHBondContact O-N 3.26Å; W213-I219 HydrophobicContact CB-CD1 4Å; W213-I219 HydrophobicContact CD2-CD1 3.91Å; W213-I219 HydrophobicContact CG-CD1 3.44Å; W213-I219 VanDerWaalsContact CG-CD1 3.44Å
214S92.2Very high94.7Very high99 Ų9941.4 Ų41.469%0.69224%0.243SC*.G310 helixtrans-52.9-27.5179.861.30000114.2K20 I212K20-S214 PolarHBondContact NZ-O 3.48Å; I212-S214 PolarHBondContact O-N 3.43Å
215S92.4Very high94.6Very high54 Ų5441.5 Ų41.538%0.37824%0.244SC..G310 helixtrans-96-8.9-176.3-56.10000114.8R67 I212 W213R67-S215 PolarHBondContact NH2-O 3.2Å; I212-S215 PolarHBondContact O-N 3.03Å; W213-S215 PolarHBondContact O-N 3.29Å
216I94.4Very high93.8Very high0 Ų045 Ų450%026%0.26CS..  trans-94146.7-179.8-59.5165.7000108.8K20 V44 A46 L55 F209 I212 W213 L218 I219K20-I216 WeakPolarHBondContact CE-O 3.25Å; K20-I216 PolarHBondContact NZ-O 3.36Å; V44-I216 WeakPolarHBondContact O-CG2 3.29Å; A46-I216 HydrophobicContact CB-CD1 4.34Å; A46-I216 HydrophobicContact CB-CG2 4.24Å; L55-I216 HydrophobicContact CD2-CD1 3.59Å; L55-I216 HydrophobicContact CD2-CG1 3.92Å; F209-I216 HydrophobicContact CD2-CD1 4.16Å; F209-I216 HydrophobicContact CE2-CD1 4.2Å; I212-I216 HydrophobicContact CD1-CD1 3.97Å; I212-I216 HydrophobicContact CG1-CD1 3.93Å; W213-I216 PolarHBondContact O-N 3.26Å; I216-L218 VanDerWaalsContact CG2-O 3.27Å; I216-L218 WeakPolarHBondContact CG2-O 3.37Å; I216-I219 HydrophobicContact CB-CG1 4.45Å; I216-I219 HydrophobicContact CD1-CG1 4.5Å; I216-I219 HydrophobicContact CG2-CG1 3.92Å
217D95.6Very high92.1Very high23 Ų2346.4 Ų46.412%0.12327%0.271CS..SBendtrans-88.1-36-179.3-58.1-50.7000112.4L5 L37 G43 V44 R67L5-D217 WeakPolarHBondContact CD2-OD1 3.09Å; L37-D217 HydrophobicContact CD1-CB 4.09Å; L37-D217 HydrophobicContact CD2-CB 4.28Å; G43-D217 WeakPolarHBondContact CA-OD2 3.17Å; V44-D217 PolarHBondContact N-OD2 3.47Å; V44-D217 WeakPolarHBondContact O-CB 3.45Å; V44-D217 PolarHBondContact O-N 3.06Å; R67-D217 IonicContact CZ-OD1 2.81Å; R67-D217 IonicContact CZ-OD2 2.85Å; R67-D217 VanDerWaalsContact CZ-OD2 3.25Å; R67-D217 IonicContact NH1-OD1 2.62Å; R67-D217 IonicContact NH1-OD2 3.94Å; R67-D217 PolarHBondContact NH1-OD2 3.3Å; R67-D217 IonicContact NH2-OD1 2.7Å; R67-D217 PolarHBondContact NH2-OD1 3.08Å; R67-D217 IonicContact NH2-OD2 3.55Å; R67-D217 PolarHBondContact NH2-OD2 3.15Å
218L96.8Very high90.1Very high3 Ų347.5 Ų47.52%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-146138.4177.1-177.568.4000111.2M17 I22 I34 L37 V45 A46 I216 I220M17-L218 HydrophobicContact SD-CD1 3.75Å; M17-L218 HydrophobicContact SD-CD2 3.84Å; M17-L218 HydrophobicContact SD-CG 4.4Å; I22-L218 HydrophobicContact CD1-CD1 3.98Å; I22-L218 HydrophobicContact CD1-CD2 4.03Å; I22-L218 HydrophobicContact CD1-CG 4.41Å; I22-L218 HydrophobicContact CG1-CD1 3.98Å; I22-L218 HydrophobicContact CG1-CG 4.5Å; I22-L218 HydrophobicContact CG2-CD1 4.37Å; I34-L218 HydrophobicContact CD1-CD2 4.11Å; I34-L218 HydrophobicContact CG1-CD2 3.8Å; I34-L218 HydrophobicContact CG2-CD2 4.25Å; L37-L218 HydrophobicContact CD2-CB 3.7Å; L37-L218 HydrophobicContact CD2-CD2 4.17Å; V45-L218 CarbonylContact C-O 3.46Å; V45-L218 VanDerWaalsContact CA-O 3.27Å; V45-L218 WeakPolarHBondContact CA-O 3.49Å; V45-L218 HydrophobicContact CG1-CB 4.02Å; A46-L218 PolarHBondContact N-O 3.45Å; I216-L218 VanDerWaalsContact CG2-O 3.27Å; I216-L218 WeakPolarHBondContact CG2-O 3.37Å; L218-I220 HydrophobicContact CD2-CD1 4.35Å; L218-I220 HydrophobicContact CD2-CG1 4.15Å; L218-I220 HydrophobicContact CG-CG1 4.29Å
219I97.5Very high87.7Confident0 Ų050.9 Ų50.90%030%0.298CS..EExtended strand (participates in β ladder)trans-116117174.5-60.4163.5000108.4K20 I21 I22 A46 I206 F209 W213 I216K20-I219 PolarHBondContact O-N 3.46Å; I21-I219 WeakPolarHBondContact CA-O 3.26Å; I21-I219 HydrophobicContact CG1-CB 4.08Å; I21-I219 HydrophobicContact CG1-CD1 4.08Å; I21-I219 HydrophobicContact CG1-CG2 4.45Å; I22-I219 PolarHBondContact N-O 3.27Å; A46-I219 HydrophobicContact CB-CB 4.38Å; A46-I219 HydrophobicContact CB-CG1 4.1Å; A46-I219 HydrophobicContact CB-CG2 4.23Å; I206-I219 HydrophobicContact CB-CG2 4.27Å; I206-I219 HydrophobicContact CG2-CG2 3.82Å; F209-I219 HydrophobicContact CE2-CD1 4.45Å; F209-I219 HydrophobicContact CE2-CG1 4.46Å; F209-I219 HydrophobicContact CE2-CG2 4.26Å; F209-I219 HydrophobicContact CZ-CG2 4.17Å; W213-I219 HydrophobicContact CB-CD1 4Å; W213-I219 HydrophobicContact CD2-CD1 3.91Å; W213-I219 HydrophobicContact CG-CD1 3.44Å; W213-I219 VanDerWaalsContact CG-CD1 3.44Å; I216-I219 HydrophobicContact CB-CG1 4.45Å; I216-I219 HydrophobicContact CD1-CG1 4.5Å; I216-I219 HydrophobicContact CG2-CG1 3.92Å
220I97.5Very high85.4Confident0 Ų060.7 Ų60.70%034%0.341CS..EExtended strand (participates in β ladder)trans-93.4110.1176.1-56.8-175.5000107.8I22 V24 A27 I34 A46 L47 P48 Y53 F148 L218I22-I220 HydrophobicContact CG1-CG1 4.36Å; I22-I220 CarbonylContact O-C 3.56Å; I22-I220 WeakPolarHBondContact O-CA 3.24Å; V24-I220 HydrophobicContact CB-CG2 4.46Å; V24-I220 HydrophobicContact CG2-CG2 3.74Å; A27-I220 HydrophobicContact CB-CD1 3.96Å; A27-I220 HydrophobicContact CB-CG1 4.3Å; A27-I220 HydrophobicContact CB-CG2 3.86Å; I34-I220 HydrophobicContact CD1-CD1 3.94Å; A46-I220 PolarHBondContact O-N 3.11Å; L47-I220 HydrophobicContact CD2-CB 4.36Å; L47-I220 HydrophobicContact CD2-CD1 3.5Å; L47-I220 VanDerWaalsContact CD2-CD1 3.5Å; L47-I220 HydrophobicContact CD2-CG1 4.13Å; P48-I220 VanDerWaalsContact CD-O 3.31Å; P48-I220 WeakPolarHBondContact CD-O 3.13Å; P48-I220 HydrophobicContact CG-CG2 4.44Å; Y53-I220 WeakPolarHBondContact CE1-O 3.41Å; F148-I220 HydrophobicContact CE1-CD1 3.41Å; F148-I220 VanDerWaalsContact CE1-CD1 3.41Å; F148-I220 HydrophobicContact CE1-CG2 4.3Å; F148-I220 HydrophobicContact CZ-CD1 3.43Å; F148-I220 VanDerWaalsContact CZ-CD1 3.43Å; L218-I220 HydrophobicContact CD2-CD1 4.35Å; L218-I220 HydrophobicContact CD2-CG1 4.15Å; L218-I220 HydrophobicContact CG-CG1 4.29Å
221N97.1Very high83.2Confident46 Ų4660 Ų6025%0.24634%0.337CS..EExtended strand (participates in β ladder)trans-86.4110.4-179.3-172.20.4000110.7I21 I22 N23 V24 Y53 I206 G223I21-N221 HydrophobicContact CG2-CB 4.04Å; I22-N221 PolarHBondContact O-N 3.47Å; N23-N221 VanDerWaalsContact CA-O 3.28Å; N23-N221 WeakPolarHBondContact CA-O 3.23Å; V24-N221 PolarHBondContact N-O 3.14Å; V24-N221 VanDerWaalsContact N-O 3.13Å; Y53-N221 PolarHBondContact OH-OD1 3.31Å; I206-N221 HydrophobicContact CD1-CB 4.16Å; I206-N221 WeakPolarHBondContact CD1-ND2 3.47Å; I206-N221 HydrophobicContact CG2-CB 4.13Å; N221-G223 WeakPolarHBondContact OD1-CA 3.32Å; N221-G223 PolarHBondContact OD1-N 3.48Å
222G95.6Very high81Confident46 Ų4659.2 Ų59.247%0.47436%0.356SS..  trans-92.42.717200000114.3Y53Y53-G222 PolarHBondContact OH-N 3.06Å
223G94.7Very high78.9Confident23 Ų2363.2 Ų63.224%0.23738%0.378CS..  trans80.3-176-166.700000112.5Y53 N221 I225Y53-G223 PolarHBondContact OH-N 3.28Å; Y53-G223 PolarHBondContact OH-O 3.06Å; N221-G223 WeakPolarHBondContact OD1-CA 3.32Å; N221-G223 PolarHBondContact OD1-N 3.48Å; G223-I225 PolarHBondContact O-N 3.47Å
224P93.7Very high76.8Confident80 Ų8064.7 Ų64.752%0.51940%0.398SS..  trans-64.2127.4174.2-21.734000111.7I204 Q205 Q226I204-P224 CarbonylContact O-C 3.55Å; I204-P224 WeakPolarHBondContact O-CA 3.39Å; Q205-P224 HydrophobicContact CB-CB 4.4Å; Q205-P224 HydrophobicContact CB-CG 4.47Å; P224-Q226 PolarHBondContact O-N 3.36Å
225I92.5Very high75Confident24 Ų2465.6 Ų65.612%0.12340%0.395CS..  trans-78.8113.1172.2-59169.4000107.7T51 I52 Y53 I204 G223T51-I225 VanDerWaalsContact O-CG2 3.3Å; T51-I225 WeakPolarHBondContact O-CG2 3.43Å; I52-I225 VanDerWaalsContact C-CD1 3.43Å; Y53-I225 HydrophobicContact CD2-CD1 3.55Å; Y53-I225 HydrophobicContact CD2-CG1 4.21Å; Y53-I225 HydrophobicContact CE2-CD1 3.73Å; Y53-I225 HydrophobicContact CE2-CG1 3.91Å; Y53-I225 HydrophobicContact CG-CD1 4.4Å; I204-I225 HydrophobicContact CB-CB 4.3Å; I204-I225 PolarHBondContact O-N 3.36Å; G223-I225 PolarHBondContact O-N 3.47Å
226Q78.8Confident73.4Confident139 Ų13965.2 Ų65.265%0.6539%0.392SS*.  trans-101.4116.1173.4-63.1176.35.300107.6P224P224-Q226 PolarHBondContact O-N 3.36Å
227S59.5Low72.2Confident34 Ų3466.1 Ų66.124%0.23840%0.398CS..  trans-73.6133.1160.565.40000107.5I229 S237S227-I229 PolarHBondContact O-N 3.49Å; S227-I229 VanDerWaalsContact O-N 3.15Å; S227-S237 WeakPolarHBondContact OG-CA 3.43Å; S227-S237 WeakPolarHBondContact OG-CB 3.35Å; S227-S237 PolarHBondContact OG-N 2.94Å; S227-S237 VanDerWaalsContact OG-N 3.14Å
228D52.8Low71.8Confident123 Ų12369 Ų6966%0.65841%0.407SS*.  trans-16.2107.4179.9-61.4-33.8000114.7F230 S231D228-F230 PolarHBondContact O-N 3.29Å; D228-S231 PolarHBondContact O-N 3.47Å; D228-S231 PolarHBondContact O-OG 3.44Å
229I44.4Very low71.3Confident131 Ų13170.1 Ų70.167%0.67242%0.417SS*.THydrogen-bonded Turntrans-51.3-20.3173.1-63.8170.2000111.4S227 S231S227-I229 PolarHBondContact O-N 3.49Å; S227-I229 VanDerWaalsContact O-N 3.15Å; I229-S231 VanDerWaalsContact C-N 3.26Å; I229-S231 PolarHBondContact O-N 2.99Å
230F46.3Very low71.1Confident206 Ų20670.2 Ų70.290%0.90442%0.418SS*.THydrogen-bonded Turntrans-68.1-21.1176.1-65-72.5000114.2D228 G232D228-F230 PolarHBondContact O-N 3.29Å; F230-G232 PolarHBondContact O-N 3.28Å
231S48.3Very low70.9Confident52 Ų5270.8 Ų70.836%0.36442%0.422SS..SBendtrans-85.699.9164.161.40000107.3D228 I229 N233D228-S231 PolarHBondContact O-N 3.47Å; D228-S231 PolarHBondContact O-OG 3.44Å; I229-S231 VanDerWaalsContact C-N 3.26Å; I229-S231 PolarHBondContact O-N 2.99Å; S231-N233 PolarHBondContact O-N 3.3Å
232G43.8Very low70.9Confident87 Ų8768.6 Ų68.690%0.89741%0.41SS*.  trans-64.631.2-178.500000115.2F230F230-G232 PolarHBondContact O-N 3.28Å
233N49.3Very low71Confident92 Ų9268 Ų6849%0.49240%0.396SS..  trans-13098.6-177.3-148.91.9000108.2S231 D235 C236S231-N233 PolarHBondContact O-N 3.3Å; N233-D235 PolarHBondContact O-N 3.15Å; N233-C236 WeakPolarHBondContact O-CB 3.27Å; N233-C236 PolarHBondContact O-N 3.4Å; N233-C236 VanDerWaalsContact O-N 3.07Å
234S50Low71.1Confident96 Ų9667 Ų6767%0.67139%0.385SS*.G310 helixtrans-53.9-27-17850.90000113.3C236 S237S234-C236 VanDerWaalsContact C-N 3.28Å; S234-C236 PolarHBondContact O-N 2.97Å; S234-S237 WeakPolarHBondContact O-CB 3.36Å; S234-S237 PolarHBondContact O-N 3.24Å; S234-S237 PolarHBondContact O-OG 2.97Å
235D54.3Low71.3Confident119 Ų11963.8 Ų63.864%0.63636%0.363SS*.G310 helixtrans-66.8-26.3-178.9-72.2-10.6000113.2N233 S237 R238N233-D235 PolarHBondContact O-N 3.15Å; D235-S237 PolarHBondContact O-N 3.21Å; D235-R238 PolarHBondContact O-N 3.36Å
236C59.1Low71.5Confident46 Ų4662.7 Ų62.731%0.31136%0.358SS..G310 helixtrans-61.8-27.5176.6-73.90000112.4N233 S234 R238 A239N233-C236 WeakPolarHBondContact O-CB 3.27Å; N233-C236 PolarHBondContact O-N 3.4Å; N233-C236 VanDerWaalsContact O-N 3.07Å; S234-C236 VanDerWaalsContact C-N 3.28Å; S234-C236 PolarHBondContact O-N 2.97Å; C236-R238 VanDerWaalsContact C-N 3.27Å; C236-R238 PolarHBondContact O-N 3.12Å; C236-A239 WeakPolarHBondContact O-CB 3.4Å; C236-A239 PolarHBondContact O-N 2.84Å
237S68.3Low72.3Confident19 Ų1957.6 Ų57.613%0.13334%0.337CS..G310 helixtrans-64.8-29.6-177.867.80000114.2S227 S234 D235S227-S237 WeakPolarHBondContact OG-CA 3.43Å; S227-S237 WeakPolarHBondContact OG-CB 3.35Å; S227-S237 PolarHBondContact OG-N 2.94Å; S227-S237 VanDerWaalsContact OG-N 3.14Å; S234-S237 WeakPolarHBondContact O-CB 3.36Å; S234-S237 PolarHBondContact O-N 3.24Å; S234-S237 PolarHBondContact O-OG 2.97Å; D235-S237 PolarHBondContact O-N 3.21Å
238R86.9Confident74Confident83 Ų8359.2 Ų59.231%0.31334%0.343SS..G310 helixtrans-98.9-3.7-177.6-62-177.6-179.8-80.7-2.6113.4S202 I204 E208 D235 C236 G240S202-R238 WeakPolarHBondContact CB-O 3.22Å; S202-R238 PolarHBondContact O-NH1 3.35Å; S202-R238 PolarHBondContact OG-O 3.37Å; S202-R238 VanDerWaalsContact OG-O 3.08Å; I204-R238 HydrophobicContact CG2-CG 4.04Å; E208-R238 IonicContact OE1-CZ 3.59Å; E208-R238 IonicContact OE1-NH1 3.91Å; E208-R238 PolarHBondContact OE1-NH1 2.67Å; E208-R238 IonicContact OE1-NH2 2.71Å; E208-R238 PolarHBondContact OE1-NH2 2.77Å; E208-R238 IonicContact OE2-CZ 3.54Å; E208-R238 IonicContact OE2-NH1 3.48Å; E208-R238 PolarHBondContact OE2-NH1 3.48Å; E208-R238 IonicContact OE2-NH2 3.49Å; E208-R238 PolarHBondContact OE2-NH2 2.99Å; D235-R238 PolarHBondContact O-N 3.36Å; C236-R238 VanDerWaalsContact C-N 3.27Å; C236-R238 PolarHBondContact O-N 3.12Å; R238-G240 PolarHBondContact O-N 3.23Å; R238-G240 VanDerWaalsContact O-N 3.15Å
239A87.7Confident75.9Confident27 Ų2753.8 Ų53.822%0.22331%0.314CS..SBendtrans-61.2-25.5-176.700000112.3C236 R258C236-A239 WeakPolarHBondContact O-CB 3.4Å; C236-A239 PolarHBondContact O-N 2.84Å; A239-R258 PolarHBondContact O-NH1 3.21Å; A239-R258 PolarHBondContact O-NH2 3.43Å
240G92.6Very high78.1Confident1 Ų151.8 Ų51.81%0.0131%0.305CS..  trans66.6-164.3-175.600000111.8R238 G260 S261R238-G240 PolarHBondContact O-N 3.23Å; R238-G240 VanDerWaalsContact O-N 3.15Å; G240-G260 CarbonylContact O-C 3.58Å; G240-G260 WeakPolarHBondContact O-CA 3.32Å; G240-S261 PolarHBondContact O-N 3.12Å; G240-S261 PolarHBondContact O-OG 3.03Å
241S94.2Very high80.4Confident12 Ų1248.4 Ų48.48%0.08429%0.29CS..  trans-59.7141.5176.563.90000115.8P111 T113 I243 R258P111-S241 CarbonylContact O-C 3.5Å; P111-S241 WeakPolarHBondContact O-CA 3.43Å; T113-S241 WeakPolarHBondContact OG1-CB 3.46Å; T113-S241 PolarHBondContact OG1-OG 2.67Å; S241-I243 PolarHBondContact O-N 3.23Å; S241-R258 PolarHBondContact O-NE 3.44Å; S241-R258 VanDerWaalsContact O-NE 3.1Å; S241-R258 PolarHBondContact O-NH2 3.06Å; S241-R258 PolarHBondContact OG-NH2 3.35Å; S241-R258 VanDerWaalsContact OG-NH2 3.1Å
242T95.7Very high82.6Confident0 Ų049 Ų490%030%0.295CS..EExtended strand (participates in β ladder)trans-67.8128.9163.1-59.60000108.5P111 V112 T113 I244 G260 A262 Y263 T266P111-T242 PolarHBondContact O-N 2.62Å; V112-T242 CarbonylContact C-O 3.39Å; V112-T242 WeakPolarHBondContact CA-O 3.28Å; T113-T242 PolarHBondContact N-O 2.87Å; T242-I244 HydrophobicContact CG2-CG2 4.04Å; T242-G260 VanDerWaalsContact OG1-C 3.29Å; T242-G260 WeakPolarHBondContact OG1-CA 3.44Å; T242-G260 PolarHBondContact OG1-N 3.23Å; T242-G260 PolarHBondContact OG1-O 3.27Å; T242-A262 VanDerWaalsContact OG1-C 3.24Å; T242-A262 WeakPolarHBondContact OG1-CA 3.46Å; T242-A262 PolarHBondContact OG1-N 3.01Å; T242-A262 VanDerWaalsContact OG1-N 3.16Å; T242-Y263 HydrophobicContact CG2-CD2 4.36Å; T242-Y263 WeakPolarHBondContact OG1-CA 3.45Å; T242-Y263 PolarHBondContact OG1-N 3.5Å; T242-T266 HydrophobicContact CG2-CG2 4.43Å
243I97.1Very high85.2Confident35 Ų3546.8 Ų46.818%0.17926%0.264CS..EExtended strand (participates in β ladder)trans-106.2117.4177.9-50.4-179.9000108.1T113 L115 S241 V257 R258T113-I243 HydrophobicContact CG2-CG2 4.45Å; T113-I243 WeakPolarHBondContact O-CA 3.24Å; L115-I243 HydrophobicContact CD1-CG2 4.28Å; L115-I243 HydrophobicContact CD2-CG2 3.93Å; L115-I243 HydrophobicContact CG-CG2 3.93Å; S241-I243 PolarHBondContact O-N 3.23Å; I243-V257 HydrophobicContact CB-CB 4.14Å; I243-V257 HydrophobicContact CG2-CB 3.86Å; I243-V257 HydrophobicContact CG2-CG1 4.28Å; I243-V257 PolarHBondContact O-N 3.42Å; I243-R258 HydrophobicContact CB-CB 3.97Å; I243-R258 HydrophobicContact CD1-CB 3.98Å; I243-R258 HydrophobicContact CG1-CB 3.93Å; I243-R258 PolarHBondContact N-O 2.95Å; I243-R258 PolarHBondContact O-N 3.34Å
244I97.3Very high87.5Confident1 Ų142.6 Ų42.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-116142.1176.861173.6000110.1L107 V112 T113 V114 L115 T242 L246 S255 T266 L270L107-I244 HydrophobicContact CD1-CD1 3.58Å; L107-I244 HydrophobicContact CD2-CD1 4.48Å; V112-I244 HydrophobicContact CG1-CD1 4.02Å; V112-I244 HydrophobicContact CG1-CG1 4Å; T113-I244 PolarHBondContact O-N 2.95Å; V114-I244 CarbonylContact C-O 3.58Å; V114-I244 HydrophobicContact CB-CG1 4.42Å; V114-I244 HydrophobicContact CG1-CD1 3.98Å; V114-I244 HydrophobicContact CG1-CG1 3.94Å; L115-I244 PolarHBondContact N-O 2.65Å; T242-I244 HydrophobicContact CG2-CG2 4.04Å; I244-L246 HydrophobicContact CD1-CD1 4.03Å; I244-L246 HydrophobicContact CD1-CD2 3.86Å; I244-L246 HydrophobicContact CD1-CG 3.97Å; I244-L246 HydrophobicContact CG1-CD2 4.38Å; I244-L246 HydrophobicContact CG1-CG 4.19Å; I244-S255 CarbonylContact C-O 3.58Å; I244-S255 WeakPolarHBondContact CA-O 3.44Å; I244-T266 HydrophobicContact CD1-CG2 3.89Å; I244-T266 HydrophobicContact CG2-CG2 3.67Å; I244-L270 HydrophobicContact CD1-CD1 3.91Å; I244-L270 HydrophobicContact CD1-CD2 4.12Å; I244-L270 HydrophobicContact CG2-CD1 4.26Å
245D97.8Very high89.7Confident13 Ų1339.2 Ų39.27%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-100.2118.6171.9-169.7-28.5000109.6L115 R138 C247 Y254 S255 V257L115-D245 HydrophobicContact CB-CB 4.3Å; L115-D245 HydrophobicContact CD1-CB 4.34Å; R138-D245 VanDerWaalsContact CD-OD2 3.24Å; R138-D245 WeakPolarHBondContact CD-OD2 3.37Å; R138-D245 IonicContact CZ-OD2 3.78Å; R138-D245 IonicContact NE-OD2 2.68Å; R138-D245 IonicContact NH1-OD2 2.79Å; R138-D245 PolarHBondContact NH1-OD2 2.71Å; D245-C247 WeakPolarHBondContact OD1-CB 3.32Å; D245-C247 PolarHBondContact OD1-N 3.31Å; D245-C247 PolarHBondContact OD1-SG 2.59Å; D245-Y254 WeakPolarHBondContact O-CA 3.43Å; D245-S255 VanDerWaalsContact CB-OG 3.26Å; D245-S255 WeakPolarHBondContact CB-OG 3.43Å; D245-S255 PolarHBondContact N-O 3.37Å; D245-S255 PolarHBondContact O-N 3.32Å; D245-V257 HydrophobicContact CB-CG2 4.01Å
246L97.7Very high91.7Very high1 Ų133.8 Ų33.81%0.00519%0.188CC..  trans-108.313.1-179-63.1-177.8000112.1I99 L103 L104 L107 V114 L115 L116 I244 N248 C249 L270 L276I99-L246 HydrophobicContact CD1-CB 4.08Å; L103-L246 HydrophobicContact CD2-CD1 4.07Å; L103-L246 HydrophobicContact CD2-CD2 4.4Å; L104-L246 HydrophobicContact CD2-CD1 4.34Å; L107-L246 HydrophobicContact CD1-CD1 4.08Å; V114-L246 HydrophobicContact CB-CD1 4.08Å; V114-L246 HydrophobicContact CG1-CD1 3.99Å; L115-L246 PolarHBondContact O-N 2.79Å; L116-L246 HydrophobicContact CD2-CB 4Å; L116-L246 HydrophobicContact CD2-CD1 4.5Å; I244-L246 HydrophobicContact CD1-CD1 4.03Å; I244-L246 HydrophobicContact CD1-CD2 3.86Å; I244-L246 HydrophobicContact CD1-CG 3.97Å; I244-L246 HydrophobicContact CG1-CD2 4.38Å; I244-L246 HydrophobicContact CG1-CG 4.19Å; L246-N248 PolarHBondContact O-N 2.9Å; L246-C249 PolarHBondContact O-N 3.33Å; L246-C249 PolarHBondContact O-SG 3.4Å; L246-C249 VanDerWaalsContact O-SG 3.32Å; L246-L270 HydrophobicContact CD2-CD2 3.89Å; L246-L276 HydrophobicContact CD2-CD1 4.5Å
247C96.1Very high93.4Very high32 Ų3235 Ų3522%0.21619%0.194CC..THydrogen-bonded Turntrans-65.8-18.2-178.2-68.60000114.1L116 P117 R138 D245L116-C247 VanDerWaalsContact C-SG 3.52Å; P117-C247 VanDerWaalsContact N-SG 3.37Å; R138-C247 VanDerWaalsContact CG-SG 3.59Å; D245-C247 WeakPolarHBondContact OD1-CB 3.32Å; D245-C247 PolarHBondContact OD1-N 3.31Å; D245-C247 PolarHBondContact OD1-SG 2.59Å
248N94.6Very high94.5Very high68 Ų6837.9 Ų37.936%0.36420%0.202SC..THydrogen-bonded Turntrans-110.323.5178.7-64.8-69.8000113L246 D250 K251 V253L246-N248 PolarHBondContact O-N 2.9Å; N248-D250 VanDerWaalsContact C-OD1 3.24Å; N248-D250 WeakPolarHBondContact CA-OD1 3.44Å; N248-D250 PolarHBondContact O-N 3.32Å; N248-K251 PolarHBondContact O-N 2.89Å; N248-K251 PolarHBondContact OD1-NZ 3.33Å; N248-V253 CarbonylContact C-O 3.56Å; N248-V253 PolarHBondContact O-N 2.97Å; N248-V253 VanDerWaalsContact O-O 3.06Å
249C91.8Very high94.8Very high8 Ų838.7 Ų38.75%0.05421%0.213CC..G310 helixtrans-59.2-26.5178-83.50000113.6I99 L246 K251 S252 V253I99-C249 HydrophobicContact CD1-CB 4.1Å; L246-C249 PolarHBondContact O-N 3.33Å; L246-C249 PolarHBondContact O-SG 3.4Å; L246-C249 VanDerWaalsContact O-SG 3.32Å; C249-K251 PolarHBondContact O-N 2.86Å; C249-S252 WeakPolarHBondContact O-CA 3.34Å; C249-S252 PolarHBondContact O-N 3.45Å; C249-V253 PolarHBondContact N-O 3.19Å
250D91.7Very high95.1Very high89 Ų8938 Ų3848%0.47621%0.208SC..G310 helixtrans-59.7-28.6172.662-37.1000112.9N98 N248 S252N98-D250 HydrophobicContact CB-CB 4.03Å; N248-D250 VanDerWaalsContact C-OD1 3.24Å; N248-D250 WeakPolarHBondContact CA-OD1 3.44Å; N248-D250 PolarHBondContact O-N 3.32Å; D250-S252 VanDerWaalsContact C-N 3.3Å
251K94.2Very high95.1Very high135 Ų13540.4 Ų40.459%0.58722%0.224SC*.G310 helixtrans-93.211176.1-60.5169.4-168161.20112.4N248 C249 V253N248-K251 PolarHBondContact O-N 2.89Å; N248-K251 PolarHBondContact OD1-NZ 3.33Å; C249-K251 PolarHBondContact O-N 2.86Å; K251-V253 WeakPolarHBondContact O-CG2 3.32Å; K251-V253 PolarHBondContact O-N 3.2Å
252S95.4Very high95.1Very high66 Ų6640.3 Ų40.346%0.46222%0.224SC..THydrogen-bonded Turntrans56.434-173.1-53.40000113.1C249 D250 L276 S277C249-S252 WeakPolarHBondContact O-CA 3.34Å; C249-S252 PolarHBondContact O-N 3.45Å; D250-S252 VanDerWaalsContact C-N 3.3Å; S252-L276 CarbonylContact O-C 3.53Å; S252-L276 WeakPolarHBondContact O-CA 3.41Å; S252-S277 PolarHBondContact O-N 3.27Å
253V96.5Very high95Very high40 Ų4043.5 Ų43.524%0.24224%0.237CC..EExtended strand (participates in β ladder)trans-127.8141.3-176.9172.10000110.8N248 C249 K251 S277 S279N248-V253 CarbonylContact C-O 3.56Å; N248-V253 PolarHBondContact O-N 2.97Å; N248-V253 VanDerWaalsContact O-O 3.06Å; C249-V253 PolarHBondContact N-O 3.19Å; K251-V253 WeakPolarHBondContact O-CG2 3.32Å; K251-V253 PolarHBondContact O-N 3.2Å; V253-S277 VanDerWaalsContact CA-O 3.27Å; V253-S277 WeakPolarHBondContact CA-O 3.39Å; V253-S279 VanDerWaalsContact CG1-CB 3.41Å
254Y97.6Very high94.9Very high3 Ų348 Ų481%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-124.9162.9168.775.5-79.4000110.3D245 V256 L270 E271 L276 S277 L278 S279D245-Y254 WeakPolarHBondContact O-CA 3.43Å; Y254-V256 HydrophobicContact CD2-CG2 4.28Å; Y254-V256 HydrophobicContact CE2-CG2 3.75Å; Y254-L270 HydrophobicContact CD1-CB 4.29Å; Y254-L270 HydrophobicContact CD1-CD1 4.24Å; Y254-L270 HydrophobicContact CD2-CD1 3.51Å; Y254-L270 HydrophobicContact CE1-CB 4.12Å; Y254-L270 HydrophobicContact CE1-CD1 4.28Å; Y254-L270 HydrophobicContact CE2-CD1 3.53Å; Y254-L270 HydrophobicContact CG-CD1 3.87Å; Y254-E271 HydrophobicContact CE1-CG 3.96Å; Y254-E271 PolarHBondContact OH-OE1 2.86Å; Y254-L276 HydrophobicContact CD1-CB 3.8Å; Y254-L276 HydrophobicContact CE1-CB 4.44Å; Y254-S277 WeakPolarHBondContact CD1-O 3.3Å; Y254-S277 PolarHBondContact N-O 2.83Å; Y254-L278 HydrophobicContact CD2-CD1 4.11Å; Y254-L278 HydrophobicContact CE1-CB 4.11Å; Y254-L278 HydrophobicContact CE2-CD1 3.62Å; Y254-L278 CarbonylContact O-C 3.16Å; Y254-S279 WeakPolarHBondContact O-CB 3.42Å; Y254-S279 PolarHBondContact O-N 2.64Å
255S97Very high94.8Very high25 Ų2550.9 Ų50.918%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-126.8154.316777.40000110.8I244 D245 S279I244-S255 CarbonylContact C-O 3.58Å; I244-S255 WeakPolarHBondContact CA-O 3.44Å; D245-S255 VanDerWaalsContact CB-OG 3.26Å; D245-S255 WeakPolarHBondContact CB-OG 3.43Å; D245-S255 PolarHBondContact N-O 3.37Å; D245-S255 PolarHBondContact O-N 3.32Å; S255-S279 WeakPolarHBondContact CB-OG 3.1Å
256V96.1Very high94.8Very high5 Ų550.4 Ų50.43%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-97.4124.3173.6179.10000107.1Y254 N259 Y263 L278 F282Y254-V256 HydrophobicContact CD2-CG2 4.28Å; Y254-V256 HydrophobicContact CE2-CG2 3.75Å; V256-N259 VanDerWaalsContact CG1-OD1 3.29Å; V256-N259 WeakPolarHBondContact CG1-OD1 3.28Å; V256-Y263 HydrophobicContact CB-CE2 4.43Å; V256-Y263 HydrophobicContact CG1-CD2 4.18Å; V256-Y263 HydrophobicContact CG1-CE2 3.98Å; V256-Y263 HydrophobicContact CG2-CE2 3.92Å; V256-L278 HydrophobicContact CB-CD1 4.47Å; V256-L278 HydrophobicContact CG2-CD1 3.79Å; V256-F282 HydrophobicContact CB-CE2 4.15Å; V256-F282 HydrophobicContact CB-CZ 4.08Å; V256-F282 WeakPolarHBondContact O-CE2 3.49Å; V256-F282 WeakPolarHBondContact O-CZ 3.42Å
257V94.7Very high94.7Very high72 Ų7251.4 Ų51.444%0.43629%0.289SS..EExtended strand (participates in β ladder)trans-92.9-30.5176.5177.70000110.4L115 I243 D245L115-V257 HydrophobicContact CD1-CB 4.48Å; L115-V257 HydrophobicContact CD1-CG2 3.75Å; I243-V257 HydrophobicContact CB-CB 4.14Å; I243-V257 HydrophobicContact CG2-CB 3.86Å; I243-V257 HydrophobicContact CG2-CG1 4.28Å; I243-V257 PolarHBondContact O-N 3.42Å; D245-V257 HydrophobicContact CB-CG2 4.01Å
258R92.7Very high94.8Very high79 Ų7953 Ų5330%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-153.4130.1176.3-174.8-177.974.3148.4-8.9111.1A239 S241 I243 G260A239-R258 PolarHBondContact O-NH1 3.21Å; A239-R258 PolarHBondContact O-NH2 3.43Å; S241-R258 PolarHBondContact O-NE 3.44Å; S241-R258 VanDerWaalsContact O-NE 3.1Å; S241-R258 PolarHBondContact O-NH2 3.06Å; S241-R258 PolarHBondContact OG-NH2 3.35Å; S241-R258 VanDerWaalsContact OG-NH2 3.1Å; I243-R258 HydrophobicContact CB-CB 3.97Å; I243-R258 HydrophobicContact CD1-CB 3.98Å; I243-R258 HydrophobicContact CG1-CB 3.93Å; I243-R258 PolarHBondContact N-O 2.95Å; I243-R258 PolarHBondContact O-N 3.34Å; R258-G260 PolarHBondContact O-N 2.95Å
259N93.1Very high94.9Very high101 Ų10152.2 Ų52.254%0.5430%0.3SS..  trans-70.1118.4167.4-62.46.3000108.7V256 Y263V256-N259 VanDerWaalsContact CG1-OD1 3.29Å; V256-N259 WeakPolarHBondContact CG1-OD1 3.28Å; N259-Y263 HydrophobicContact CB-CD2 4.23Å; N259-Y263 WeakPolarHBondContact OD1-CE2 3.32Å
260G92.9Very high95.2Very high11 Ų1151.8 Ų51.811%0.11330%0.297CS..  trans-121.2-170.1176.100000111.8G240 T242 R258 A262 Y263G240-G260 CarbonylContact O-C 3.58Å; G240-G260 WeakPolarHBondContact O-CA 3.32Å; T242-G260 VanDerWaalsContact OG1-C 3.29Å; T242-G260 WeakPolarHBondContact OG1-CA 3.44Å; T242-G260 PolarHBondContact OG1-N 3.23Å; T242-G260 PolarHBondContact OG1-O 3.27Å; R258-G260 PolarHBondContact O-N 2.95Å; G260-A262 PolarHBondContact O-N 3.42Å; G260-A262 VanDerWaalsContact O-N 3.11Å; G260-Y263 WeakPolarHBondContact O-CB 3.48Å; G260-Y263 PolarHBondContact O-N 3.32Å
261S92.3Very high95.5Very high52 Ų5251.5 Ų51.536%0.36429%0.293SS..THydrogen-bonded Turntrans-62.1-20.2-176.459.60000114G240G240-S261 PolarHBondContact O-N 3.12Å; G240-S261 PolarHBondContact O-OG 3.03Å
262A94.2Very high95.7Very high10 Ų1048 Ų488%0.08330%0.296CS..THydrogen-bonded Turntrans-100.14.6-177.200000114.2P111 V112 T242 G260 N264 A265 T266P111-A262 HydrophobicContact CB-CB 3.91Å; P111-A262 HydrophobicContact CG-CB 3.69Å; V112-A262 HydrophobicContact CG2-CB 4.05Å; T242-A262 VanDerWaalsContact OG1-C 3.24Å; T242-A262 WeakPolarHBondContact OG1-CA 3.46Å; T242-A262 PolarHBondContact OG1-N 3.01Å; T242-A262 VanDerWaalsContact OG1-N 3.16Å; G260-A262 PolarHBondContact O-N 3.42Å; G260-A262 VanDerWaalsContact O-N 3.11Å; A262-N264 PolarHBondContact O-N 3.11Å; A262-A265 PolarHBondContact O-N 3.27Å; A262-A265 VanDerWaalsContact O-N 3.14Å; A262-T266 WeakPolarHBondContact O-CB 3.33Å; A262-T266 PolarHBondContact O-N 2.83Å; A262-T266 PolarHBondContact O-OG1 3.26Å
263Y94.7Very high95.7Very high67 Ų6752.9 Ų52.926%0.26330%0.304SS..Hα-helixtrans-50.7-55.7-163.6174.8-94.1000113.2T242 V256 N259 G260 A265 T266 V267T242-Y263 HydrophobicContact CG2-CD2 4.36Å; T242-Y263 WeakPolarHBondContact OG1-CA 3.45Å; T242-Y263 PolarHBondContact OG1-N 3.5Å; V256-Y263 HydrophobicContact CB-CE2 4.43Å; V256-Y263 HydrophobicContact CG1-CD2 4.18Å; V256-Y263 HydrophobicContact CG1-CE2 3.98Å; V256-Y263 HydrophobicContact CG2-CE2 3.92Å; N259-Y263 HydrophobicContact CB-CD2 4.23Å; N259-Y263 WeakPolarHBondContact OD1-CE2 3.32Å; G260-Y263 WeakPolarHBondContact O-CB 3.48Å; G260-Y263 PolarHBondContact O-N 3.32Å; Y263-A265 PolarHBondContact O-N 3.44Å; Y263-T266 WeakPolarHBondContact O-CB 3.14Å; Y263-T266 PolarHBondContact O-N 3.28Å; Y263-V267 HydrophobicContact CD1-CG2 4.45Å; Y263-V267 HydrophobicContact CD2-CG2 4.35Å; Y263-V267 HydrophobicContact CE1-CG2 4.07Å; Y263-V267 HydrophobicContact CE2-CG2 4Å; Y263-V267 WeakPolarHBondContact O-CG2 3.47Å; Y263-V267 PolarHBondContact O-N 3.29Å
264N94.7Very high95.8Very high129 Ų12952.6 Ų52.669%0.6930%0.298SS*.Hα-helixtrans-61.5-43.1-178-67.6-25.9000112.4A262 V267 A268A262-N264 PolarHBondContact O-N 3.11Å; N264-V267 PolarHBondContact O-N 3.48Å; N264-A268 WeakPolarHBondContact O-CB 3.48Å; N264-A268 PolarHBondContact O-N 3.42Å
265A95.6Very high95.7Very high62 Ų6258.5 Ų58.551%0.51233%0.33SS..Hα-helixtrans-65.9-40.1178.800000111.6A262 Y263 A268 I269A262-A265 PolarHBondContact O-N 3.27Å; A262-A265 VanDerWaalsContact O-N 3.14Å; Y263-A265 PolarHBondContact O-N 3.44Å; A265-A268 PolarHBondContact O-N 3.36Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.08Å
266T97Very high95.7Very high3 Ų357.5 Ų57.52%0.01832%0.323CS..Hα-helixtrans-62.3-49.3175.6-58.80000111.4L107 V112 T242 I244 A262 Y263 A268 I269 L270L107-T266 HydrophobicContact CD2-CG2 4.01Å; V112-T266 HydrophobicContact CG1-CG2 4.39Å; V112-T266 HydrophobicContact CG2-CG2 4.45Å; V112-T266 VanDerWaalsContact CG2-OG1 3.23Å; V112-T266 WeakPolarHBondContact CG2-OG1 3.14Å; T242-T266 HydrophobicContact CG2-CG2 4.43Å; I244-T266 HydrophobicContact CD1-CG2 3.89Å; I244-T266 HydrophobicContact CG2-CG2 3.67Å; A262-T266 WeakPolarHBondContact O-CB 3.33Å; A262-T266 PolarHBondContact O-N 2.83Å; A262-T266 PolarHBondContact O-OG1 3.26Å; Y263-T266 WeakPolarHBondContact O-CB 3.14Å; Y263-T266 PolarHBondContact O-N 3.28Å; T266-A268 VanDerWaalsContact C-N 3.34Å; T266-A268 PolarHBondContact O-N 3.03Å; T266-I269 PolarHBondContact O-N 3.25Å; T266-L270 HydrophobicContact CG2-CD1 3.74Å; T266-L270 HydrophobicContact CG2-CG 4.33Å; T266-L270 VanDerWaalsContact O-CG 3.28Å; T266-L270 WeakPolarHBondContact O-CG 3.36Å; T266-L270 PolarHBondContact O-N 3.19Å
267V96.8Very high95.7Very high23 Ų2360.8 Ų60.814%0.13935%0.346CS..Hα-helixtrans-59.6-45.2178.1171.60000110.8Y263 N264 I269 L270 E271Y263-V267 HydrophobicContact CD1-CG2 4.45Å; Y263-V267 HydrophobicContact CD2-CG2 4.35Å; Y263-V267 HydrophobicContact CE1-CG2 4.07Å; Y263-V267 HydrophobicContact CE2-CG2 4Å; Y263-V267 WeakPolarHBondContact O-CG2 3.47Å; Y263-V267 PolarHBondContact O-N 3.29Å; N264-V267 PolarHBondContact O-N 3.48Å; V267-I269 VanDerWaalsContact C-N 3.28Å; V267-I269 PolarHBondContact O-N 3.2Å; V267-L270 PolarHBondContact O-N 3.42Å; V267-E271 HydrophobicContact CG1-CG 4.07Å; V267-E271 WeakPolarHBondContact O-CB 3.44Å; V267-E271 WeakPolarHBondContact O-CG 3.49Å; V267-E271 PolarHBondContact O-N 3.46Å
268A97.3Very high95.8Very high66 Ų6660.3 Ų60.355%0.54534%0.341SS..Hα-helixtrans-58.5-37.4178.300000113.2N264 A265 T266 G272N264-A268 WeakPolarHBondContact O-CB 3.48Å; N264-A268 PolarHBondContact O-N 3.42Å; A265-A268 PolarHBondContact O-N 3.36Å; T266-A268 VanDerWaalsContact C-N 3.34Å; T266-A268 PolarHBondContact O-N 3.03Å; A268-G272 VanDerWaalsContact O-CA 3.3Å; A268-G272 WeakPolarHBondContact O-CA 3.49Å; A268-G272 PolarHBondContact O-N 3.44Å
269I97.6Very high95.8Very high50 Ų5057.5 Ų57.526%0.25633%0.333SS..Hα-helixtrans-68.7-51.6174.9-67.7165.6000110.6L103 D106 L107 A265 T266 V267 E271 R273 Y274L103-I269 HydrophobicContact CD1-CG2 4.49Å; D106-I269 HydrophobicContact CB-CG2 3.99Å; L107-I269 HydrophobicContact CD2-CB 4.4Å; L107-I269 HydrophobicContact CD2-CD1 4.28Å; L107-I269 HydrophobicContact CD2-CG2 4.12Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.08Å; T266-I269 PolarHBondContact O-N 3.25Å; V267-I269 VanDerWaalsContact C-N 3.28Å; V267-I269 PolarHBondContact O-N 3.2Å; I269-E271 PolarHBondContact O-N 3.33Å; I269-R273 WeakPolarHBondContact O-CB 3.38Å; I269-R273 PolarHBondContact O-N 3.05Å; I269-Y274 HydrophobicContact CG2-CD2 3.99Å; I269-Y274 HydrophobicContact CG2-CE2 3.89Å; I269-Y274 PolarHBondContact O-N 3.25Å
270L98Very high94.6Very high0 Ų060.3 Ų60.30%035%0.348CS..Hα-helixtrans-60.8-47.8-174.7-67.5169.4000112.1L103 L107 I244 L246 Y254 T266 V267 Y274 N275 L276L103-L270 HydrophobicContact CD1-CD2 3.77Å; L103-L270 HydrophobicContact CD2-CD2 4.39Å; L107-L270 HydrophobicContact CD1-CD2 4.26Å; I244-L270 HydrophobicContact CD1-CD1 3.91Å; I244-L270 HydrophobicContact CD1-CD2 4.12Å; I244-L270 HydrophobicContact CG2-CD1 4.26Å; L246-L270 HydrophobicContact CD2-CD2 3.89Å; Y254-L270 HydrophobicContact CD1-CB 4.29Å; Y254-L270 HydrophobicContact CD1-CD1 4.24Å; Y254-L270 HydrophobicContact CD2-CD1 3.51Å; Y254-L270 HydrophobicContact CE1-CB 4.12Å; Y254-L270 HydrophobicContact CE1-CD1 4.28Å; Y254-L270 HydrophobicContact CE2-CD1 3.53Å; Y254-L270 HydrophobicContact CG-CD1 3.87Å; T266-L270 HydrophobicContact CG2-CD1 3.74Å; T266-L270 HydrophobicContact CG2-CG 4.33Å; T266-L270 VanDerWaalsContact O-CG 3.28Å; T266-L270 WeakPolarHBondContact O-CG 3.36Å; T266-L270 PolarHBondContact O-N 3.19Å; V267-L270 PolarHBondContact O-N 3.42Å; L270-Y274 CarbonylContact O-C 3.46Å; L270-Y274 WeakPolarHBondContact O-CB 3.45Å; L270-Y274 PolarHBondContact O-N 3.41Å; L270-N275 PolarHBondContact O-N 2.94Å; L270-L276 HydrophobicContact CB-CD1 4.49Å; L270-L276 HydrophobicContact CD2-CD1 3.75Å; L270-L276 PolarHBondContact O-N 2.96Å
271E97.6Very high92.9Very high83 Ų8366.9 Ų66.939%0.38838%0.381SS..Hα-helixtrans-82.9-42.5-176.2-56.8-172.9171.200111Y254 V267 I269 N275 L276Y254-E271 HydrophobicContact CE1-CG 3.96Å; Y254-E271 PolarHBondContact OH-OE1 2.86Å; V267-E271 HydrophobicContact CG1-CG 4.07Å; V267-E271 WeakPolarHBondContact O-CB 3.44Å; V267-E271 WeakPolarHBondContact O-CG 3.49Å; V267-E271 PolarHBondContact O-N 3.46Å; I269-E271 PolarHBondContact O-N 3.33Å; E271-N275 WeakPolarHBondContact O-CA 3.25Å; E271-N275 PolarHBondContact O-N 3.49Å; E271-L276 WeakPolarHBondContact CG-O 3.47Å
272G97Very high90.5Very high62 Ų6270.7 Ų70.764%0.63939%0.391SS*.Hα-helixtrans-78-39.2-173.500000114.8A268A268-G272 VanDerWaalsContact O-CA 3.3Å; A268-G272 WeakPolarHBondContact O-CA 3.49Å; A268-G272 PolarHBondContact O-N 3.44Å
273R96.9Very high87.5Confident167 Ų16775 Ų7563%0.6342%0.421SS*.THydrogen-bonded Turntrans-101.7-29.9-175.9-172.1169.7177-175.4-0.9113.3D106 I269D106-R273 IonicContact OD1-CZ 2.65Å; D106-R273 IonicContact OD1-NH1 3.77Å; D106-R273 PolarHBondContact OD1-NH1 2.87Å; D106-R273 IonicContact OD1-NH2 3.64Å; D106-R273 WeakPolarHBondContact OD2-CD 3.43Å; D106-R273 IonicContact OD2-CZ 3.23Å; D106-R273 IonicContact OD2-NE 3Å; D106-R273 PolarHBondContact OD2-NE 3.19Å; D106-R273 IonicContact OD2-NH1 3.84Å; D106-R273 PolarHBondContact OD2-NH1 3.23Å; D106-R273 IonicContact OD2-NH2 3.84Å; I269-R273 WeakPolarHBondContact O-CB 3.38Å; I269-R273 PolarHBondContact O-N 3.05Å
274Y97.3Very high84.3Confident34 Ų3479.2 Ų79.213%0.13345%0.448CS..THydrogen-bonded Turntrans-111.5-0.3-174.6-66.4-80.5000114.1P100 G102 L103 D106 I269 L270 L276P100-Y274 HydrophobicContact CB-CD1 3.63Å; P100-Y274 HydrophobicContact CB-CE1 3.98Å; P100-Y274 HydrophobicContact CG-CD1 4.32Å; G102-Y274 PolarHBondContact O-OH 3.39Å; L103-Y274 WeakPolarHBondContact CA-OH 3.44Å; L103-Y274 HydrophobicContact CB-CD1 4.03Å; L103-Y274 HydrophobicContact CB-CD2 4.42Å; L103-Y274 HydrophobicContact CB-CE1 3.71Å; L103-Y274 HydrophobicContact CB-CE2 4.12Å; L103-Y274 HydrophobicContact CB-CG 4.37Å; L103-Y274 HydrophobicContact CD1-CD1 4.38Å; L103-Y274 HydrophobicContact CD1-CD2 3.43Å; L103-Y274 VanDerWaalsContact CD1-CD2 3.43Å; L103-Y274 HydrophobicContact CD1-CE2 3.58Å; L103-Y274 HydrophobicContact CD1-CG 3.87Å; L103-Y274 HydrophobicContact CG-CD2 4.44Å; L103-Y274 HydrophobicContact CG-CE2 4.45Å; L103-Y274 PolarHBondContact N-OH 3.31Å; L103-Y274 VanDerWaalsContact N-OH 3.08Å; D106-Y274 HydrophobicContact CB-CE2 4.22Å; D106-Y274 VanDerWaalsContact OD2-CE2 3.28Å; D106-Y274 WeakPolarHBondContact OD2-CE2 3.49Å; D106-Y274 PolarHBondContact OD2-OH 3.44Å; I269-Y274 HydrophobicContact CG2-CD2 3.99Å; I269-Y274 HydrophobicContact CG2-CE2 3.89Å; I269-Y274 PolarHBondContact O-N 3.25Å; L270-Y274 CarbonylContact O-C 3.46Å; L270-Y274 WeakPolarHBondContact O-CB 3.45Å; L270-Y274 PolarHBondContact O-N 3.41Å; Y274-L276 PolarHBondContact O-N 3.27Å; Y274-L276 VanDerWaalsContact O-N 3.12Å
275N96.4Very high81.2Confident128 Ų12879.8 Ų79.868%0.68446%0.456SS*.  trans51.131.8180-61-46.8000113.3L270 E271L270-N275 PolarHBondContact O-N 2.94Å; E271-N275 WeakPolarHBondContact O-CA 3.25Å; E271-N275 PolarHBondContact O-N 3.49Å
276L97.1Very high78.2Confident4 Ų484.6 Ų84.62%0.02147%0.473CS..  trans-80.7145.4174.4-57178.4000109.2L103 L246 S252 Y254 L270 E271 Y274L103-L276 HydrophobicContact CD2-CD1 3.99Å; L246-L276 HydrophobicContact CD2-CD1 4.5Å; S252-L276 CarbonylContact O-C 3.53Å; S252-L276 WeakPolarHBondContact O-CA 3.41Å; Y254-L276 HydrophobicContact CD1-CB 3.8Å; Y254-L276 HydrophobicContact CE1-CB 4.44Å; L270-L276 HydrophobicContact CB-CD1 4.49Å; L270-L276 HydrophobicContact CD2-CD1 3.75Å; L270-L276 PolarHBondContact O-N 2.96Å; E271-L276 WeakPolarHBondContact CG-O 3.47Å; Y274-L276 PolarHBondContact O-N 3.27Å; Y274-L276 VanDerWaalsContact O-N 3.12Å
277S96.5Very high74.9Confident73 Ų7396.2 Ų96.251%0.5154%0.535SS..EExtended strand (participates in β ladder)trans-108143.2175.4-60.10000110.8S252 V253 Y254 S279S252-S277 PolarHBondContact O-N 3.27Å; V253-S277 VanDerWaalsContact CA-O 3.27Å; V253-S277 WeakPolarHBondContact CA-O 3.39Å; Y254-S277 WeakPolarHBondContact CD1-O 3.3Å; Y254-S277 PolarHBondContact N-O 2.83Å; S277-S279 PolarHBondContact O-N 3.08Å
278L96.3Very high73.9Confident62 Ų6299.9 Ų99.933%0.32556%0.555SS.*EExtended strand (participates in β ladder)trans-65.3132.3173.4-175.565.7000109.8Y254 V256 D280Y254-L278 HydrophobicContact CD2-CD1 4.11Å; Y254-L278 HydrophobicContact CE1-CB 4.11Å; Y254-L278 HydrophobicContact CE2-CD1 3.62Å; Y254-L278 CarbonylContact O-C 3.16Å; V256-L278 HydrophobicContact CB-CD1 4.47Å; V256-L278 HydrophobicContact CG2-CD1 3.79Å; L278-D280 PolarHBondContact O-N 3.44Å
279S91.7Very high72.6Confident21 Ų21101.7 Ų101.715%0.14756%0.556CS.*  trans-68.4130.5177.771.20000110.8V253 Y254 S255 S277 N281V253-S279 VanDerWaalsContact CG1-CB 3.41Å; Y254-S279 WeakPolarHBondContact O-CB 3.42Å; Y254-S279 PolarHBondContact O-N 2.64Å; S255-S279 WeakPolarHBondContact CB-OG 3.1Å; S277-S279 PolarHBondContact O-N 3.08Å; S279-N281 PolarHBondContact O-N 3.07Å
280D69.5Low71.2Confident160 Ų160104.6 Ų104.686%0.85657%0.572SS**SBendtrans-66.4-2.1177.7-65.5-40.1000114.6L278 F282L278-D280 PolarHBondContact O-N 3.44Å; D280-F282 PolarHBondContact O-N 3.17Å
281N56Low69.7Low148 Ų148110.7 Ų110.779%0.79161%0.606SS**  trans-82.844.9-175-69.4-29.9000114.2S279 S283S279-N281 PolarHBondContact O-N 3.07Å; N281-S283 PolarHBondContact O-N 2.79Å
282F43.4Very low67.9Low132 Ų132112.4 Ų112.458%0.57962%0.62SS**  trans-9472.3165.5-97.6-81.2000110.4V256 D280V256-F282 HydrophobicContact CB-CE2 4.15Å; V256-F282 HydrophobicContact CB-CZ 4.08Å; V256-F282 WeakPolarHBondContact O-CE2 3.49Å; V256-F282 WeakPolarHBondContact O-CZ 3.42Å; D280-F282 PolarHBondContact O-N 3.17Å
283S30.8Very low66Low101 Ų101115.8 Ų115.871%0.70662%0.618SS**  trans-160129.515947.10000111N281N281-S283 PolarHBondContact O-N 2.79Å
284N27.7Very low63.8Low156 Ų156112.1 Ų112.183%0.83462%0.617SS**  trans78.175.7167.7-63.2-17.4000120
285T30Very low61.2Low140 Ų140118.2 Ų118.286%0.85966%0.655SS**  trans-147.576.2135.245.80000110.6
286N31Very low58.3Low164 Ų164117.3 Ų117.388%0.87765%0.652SS**  trans-149.789.3156.9-89.3-29.8000107.2
287N29.2Very low54.7Low247 Ų247127.6 Ų127.6100%1.32171%0.71SS**  trans-128.30145.5-96.1-9.5000105.8

Retrieved 287 of 287 residues in 61.3 ms (Link to these results)

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