A0A096NHM7_PAPAN Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A096NHM7, Species PAPAN (Papio anubis, Olive baboon), Gene ATP2A1, Length 1,001 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
1M87.3Confident92.8Very high33 Ų3357.6 Ų57.616%0.16330%0.302CS..  0920178.6179.517500107.6A4 K7 C12 Y15 F16 A224M1-A4 HydrophobicContact CE-CB 4.44Å; M1-A4 HydrophobicContact CG-CB 4.22Å; M1-A4 HydrophobicContact SD-CB 4.4Å; M1-K7 HydrophobicContact CE-CB 3.69Å; M1-K7 HydrophobicContact CE-CD 4.45Å; M1-K7 HydrophobicContact CE-CG 3.53Å; M1-C12 HydrophobicContact CE-CB 4.16Å; M1-C12 WeakPolarHBondContact CE-SG 2.98Å; M1-C12 HydrophobicContact SD-CB 4.26Å; M1-Y15 HydrophobicContact CB-CD1 4.18Å; M1-Y15 HydrophobicContact CB-CE1 3.95Å; M1-Y15 HydrophobicContact CG-CD1 4.28Å; M1-Y15 HydrophobicContact CG-CE1 4.37Å; M1-Y15 HydrophobicContact SD-CD1 3.84Å; M1-Y15 HydrophobicContact SD-CE1 4.49Å; M1-Y15 HydrophobicContact SD-CG 3.94Å; M1-F16 HydrophobicContact CB-CE2 3.92Å; M1-F16 HydrophobicContact CB-CZ 3.77Å; M1-F16 HydrophobicContact SD-CE2 3.89Å; M1-A224 PolarHBondContact N-O 2.78Å
2E86.7Confident93.1Very high167 Ų16752.9 Ų52.978%0.7828%0.277SS*.THydrogen-bonded Turntrans-71.5-42.4-167.1-67.1176.5-171.500113.8A4E2-A4 PolarHBondContact O-N 2.85Å; E2-A4 VanDerWaalsContact O-N 3.11Å
3A92.6Very high93.4Very high48 Ų4851.1 Ų51.140%0.39727%0.268SS..THydrogen-bonded Turntrans-85.633.6-17900000113.5H5 A6 K7A3-H5 PolarHBondContact O-N 3.36Å; A3-A6 PolarHBondContact O-N 2.9Å; A3-A6 VanDerWaalsContact O-N 3.15Å; A3-K7 WeakPolarHBondContact O-CG 3.19Å
4A94.4Very high93.6Very high0 Ų052.8 Ų52.80%029%0.293CS..G310 helixtrans-63-26.4-175.400000113.4M1 E2 A6 K7 R164 M207 A224M1-A4 HydrophobicContact CE-CB 4.44Å; M1-A4 HydrophobicContact CG-CB 4.22Å; M1-A4 HydrophobicContact SD-CB 4.4Å; E2-A4 PolarHBondContact O-N 2.85Å; E2-A4 VanDerWaalsContact O-N 3.11Å; A4-A6 VanDerWaalsContact C-N 3.29Å; A4-A6 PolarHBondContact O-N 3.01Å; A4-K7 PolarHBondContact O-N 2.95Å; A4-R164 HydrophobicContact CB-CB 4.2Å; A4-R164 VanDerWaalsContact O-CD 3.29Å; A4-R164 WeakPolarHBondContact O-CD 3.31Å; A4-R164 PolarHBondContact O-NE 3.47Å; A4-R164 VanDerWaalsContact O-NE 3.14Å; A4-M207 HydrophobicContact CB-CE 4.3Å; A4-M207 HydrophobicContact CB-SD 4.15Å; A4-A224 HydrophobicContact CB-CB 3.67Å
5H91.4Very high93.8Very high8 Ų858.3 Ų58.34%0.03731%0.309CS..G310 helixtrans-65-32.6176.568.7-76.9000112.6A3 K7 V194 D196 P197 K204 N206 M207A3-H5 PolarHBondContact O-N 3.36Å; H5-K7 VanDerWaalsContact C-N 3.26Å; H5-K7 PolarHBondContact O-N 3.5Å; H5-V194 PolarHBondContact O-N 3.18Å; H5-D196 PolarHBondContact NE2-O 2.92Å; H5-P197 PolarHBondContact CE1-O 3.41Å; H5-P197 PolarHBondContact NE2-O 3.41Å; H5-K204 HydrophobicContact CB-CB 4.32Å; H5-K204 HydrophobicContact CB-CD 4.31Å; H5-K204 HydrophobicContact CB-CG 3.87Å; H5-N206 WeakPolarHBondContact CA-OD1 3.22Å; H5-N206 WeakPolarHBondContact CB-OD1 3.46Å; H5-N206 PolarHBondContact O-ND2 3.07Å; H5-M207 HydrophobicContact CB-CG 3.73Å; H5-M207 HydrophobicContact CB-SD 4.17Å
6A92.4Very high94Very high28 Ų2856 Ų5623%0.23130%0.295CS..G310 helixtrans-84.8-1.8-179.700000113.7A3 A4 V194A3-A6 PolarHBondContact O-N 2.9Å; A3-A6 VanDerWaalsContact O-N 3.15Å; A4-A6 VanDerWaalsContact C-N 3.29Å; A4-A6 PolarHBondContact O-N 3.01Å; A6-V194 WeakPolarHBondContact CA-O 3.33Å; A6-V194 WeakPolarHBondContact CB-O 3.26Å
7K94.4Very high94.1Very high80 Ų8055.8 Ų55.835%0.34831%0.31SS..SBendtrans-104.2148.4-174.9-66.1-69.5-173.7-177.40111.7M1 A3 A4 H5 E11 R164M1-K7 HydrophobicContact CE-CB 3.69Å; M1-K7 HydrophobicContact CE-CD 4.45Å; M1-K7 HydrophobicContact CE-CG 3.53Å; A3-K7 WeakPolarHBondContact O-CG 3.19Å; A4-K7 PolarHBondContact O-N 2.95Å; H5-K7 VanDerWaalsContact C-N 3.26Å; H5-K7 PolarHBondContact O-N 3.5Å; K7-E11 WeakPolarHBondContact CA-OE2 3.41Å; K7-E11 HydrophobicContact CB-CB 4.24Å; K7-E11 HydrophobicContact CD-CB 4.25Å; K7-E11 WeakPolarHBondContact CD-OE2 3.43Å; K7-E11 IonicContact NZ-OE1 3.86Å; K7-E11 PolarHBondContact NZ-OE1 2.73Å; K7-R164 PolarHBondContact O-NE 3.36Å; K7-R164 PolarHBondContact O-NH2 3.46Å
8T94.4Very high94.2Very high46 Ų4653.4 Ų53.428%0.28230%0.297SS..  trans-71.1162.2171.583.50000110.2E10 E11 C12 P193T8-E10 VanDerWaalsContact CB-OE2 3.24Å; T8-E10 WeakPolarHBondContact CB-OE2 3.47Å; T8-E10 PolarHBondContact O-N 2.9Å; T8-E10 PolarHBondContact OG1-N 2.86Å; T8-E10 PolarHBondContact OG1-OE2 3.21Å; T8-E11 PolarHBondContact N-OE2 2.77Å; T8-E11 PolarHBondContact O-N 2.92Å; T8-E11 PolarHBondContact OG1-N 3.16Å; T8-C12 PolarHBondContact O-N 3.14Å; T8-C12 VanDerWaalsContact O-N 3.16Å; T8-C12 PolarHBondContact O-SG 2.97Å; T8-C12 VanDerWaalsContact O-SG 3.41Å; T8-P193 HydrophobicContact CG2-CG 4.32Å
9T94.3Very high94.2Very high25 Ų2553.5 Ų53.515%0.15330%0.302CS..Hα-helixtrans-58.9-38.5177.836.40000111.8C12 L13 L166T9-C12 PolarHBondContact O-N 3.06Å; T9-L13 WeakPolarHBondContact O-CG 3.28Å; T9-L13 PolarHBondContact O-N 2.92Å; T9-L13 VanDerWaalsContact O-N 3.1Å; T9-L166 HydrophobicContact CG2-CD2 3.8Å
10E95.8Very high94.2Very high119 Ų11954 Ų5456%0.55630%0.301SS*.Hα-helixtrans-69.2-40.8179.2-55.267.8-139.300111.4T8 C12 L13 A14T8-E10 VanDerWaalsContact CB-OE2 3.24Å; T8-E10 WeakPolarHBondContact CB-OE2 3.47Å; T8-E10 PolarHBondContact O-N 2.9Å; T8-E10 PolarHBondContact OG1-N 2.86Å; T8-E10 PolarHBondContact OG1-OE2 3.21Å; E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 3.05Å; E10-L13 PolarHBondContact O-N 3.09Å; E10-A14 VanDerWaalsContact O-CB 3.23Å; E10-A14 WeakPolarHBondContact O-CB 3.48Å; E10-A14 PolarHBondContact O-N 2.94Å
11E96.7Very high94.1Very high80 Ų8057 Ų5737%0.37432%0.321SS..Hα-helixtrans-62.1-40.6176.2-71.7-178.1111.900111.6K7 T8 A14 Y15K7-E11 WeakPolarHBondContact CA-OE2 3.41Å; K7-E11 HydrophobicContact CB-CB 4.24Å; K7-E11 HydrophobicContact CD-CB 4.25Å; K7-E11 WeakPolarHBondContact CD-OE2 3.43Å; K7-E11 IonicContact NZ-OE1 3.86Å; K7-E11 PolarHBondContact NZ-OE1 2.73Å; T8-E11 PolarHBondContact N-OE2 2.77Å; T8-E11 PolarHBondContact O-N 2.92Å; T8-E11 PolarHBondContact OG1-N 3.16Å; E11-A14 PolarHBondContact O-N 3.28Å; E11-Y15 VanDerWaalsContact O-CB 3.31Å; E11-Y15 WeakPolarHBondContact O-CB 3.19Å; E11-Y15 PolarHBondContact O-N 3.1Å
12C96.6Very high94.3Very high1 Ų158.6 Ų58.61%0.00733%0.333CS..Hα-helixtrans-65.8-45.3176.8-65.60000112.1M1 T8 T9 E10 A14 Y15 F16 I222M1-C12 HydrophobicContact CE-CB 4.16Å; M1-C12 WeakPolarHBondContact CE-SG 2.98Å; M1-C12 HydrophobicContact SD-CB 4.26Å; T8-C12 PolarHBondContact O-N 3.14Å; T8-C12 VanDerWaalsContact O-N 3.16Å; T8-C12 PolarHBondContact O-SG 2.97Å; T8-C12 VanDerWaalsContact O-SG 3.41Å; T9-C12 PolarHBondContact O-N 3.06Å; E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 3.05Å; C12-A14 VanDerWaalsContact C-N 3.34Å; C12-Y15 PolarHBondContact O-N 3.23Å; C12-F16 WeakPolarHBondContact O-CD2 3.36Å; C12-F16 PolarHBondContact O-N 3.05Å; C12-I222 HydrophobicContact CB-CG2 4Å
13L96.9Very high94.8Very high29 Ų2950.8 Ų50.815%0.15230%0.297CS..Hα-helixtrans-61.9-42.5176.2-71.1169.4000111.5T9 E10 G17 V18 E20 I150 L166 I222T9-L13 WeakPolarHBondContact O-CG 3.28Å; T9-L13 PolarHBondContact O-N 2.92Å; T9-L13 VanDerWaalsContact O-N 3.1Å; E10-L13 PolarHBondContact O-N 3.09Å; L13-G17 WeakPolarHBondContact O-CA 3.43Å; L13-G17 PolarHBondContact O-N 2.77Å; L13-V18 HydrophobicContact CD2-CG1 3.84Å; L13-V18 PolarHBondContact O-N 2.86Å; L13-V18 VanDerWaalsContact O-N 3.09Å; L13-E20 HydrophobicContact CD1-CB 4.36Å; L13-E20 HydrophobicContact CD2-CB 4.41Å; L13-I150 HydrophobicContact CD2-CD1 3.95Å; L13-L166 HydrophobicContact CD1-CD2 4.45Å; L13-L166 HydrophobicContact CD2-CD1 3.85Å; L13-L166 HydrophobicContact CG-CD1 4.4Å; L13-L166 HydrophobicContact CG-CD2 4.22Å; L13-I222 HydrophobicContact CD2-CD1 4.25Å
14A96.6Very high95Very high75 Ų7548.5 Ų48.562%0.6228%0.278SS*.Hα-helixtrans-66.4-39.1177.600000112.4E10 E11 C12 F16 G17E10-A14 VanDerWaalsContact O-CB 3.23Å; E10-A14 WeakPolarHBondContact O-CB 3.48Å; E10-A14 PolarHBondContact O-N 2.94Å; E11-A14 PolarHBondContact O-N 3.28Å; C12-A14 VanDerWaalsContact C-N 3.34Å; A14-F16 VanDerWaalsContact C-N 3.33Å; A14-F16 PolarHBondContact O-N 3.07Å; A14-G17 PolarHBondContact O-N 3.16Å
15Y96.8Very high95.1Very high135 Ų13551.1 Ų51.153%0.52930%0.295SS..Hα-helixtrans-59.3-42.3178.5179.9-91.3000112.3M1 E11 C12M1-Y15 HydrophobicContact CB-CD1 4.18Å; M1-Y15 HydrophobicContact CB-CE1 3.95Å; M1-Y15 HydrophobicContact CG-CD1 4.28Å; M1-Y15 HydrophobicContact CG-CE1 4.37Å; M1-Y15 HydrophobicContact SD-CD1 3.84Å; M1-Y15 HydrophobicContact SD-CE1 4.49Å; M1-Y15 HydrophobicContact SD-CG 3.94Å; E11-Y15 VanDerWaalsContact O-CB 3.31Å; E11-Y15 WeakPolarHBondContact O-CB 3.19Å; E11-Y15 PolarHBondContact O-N 3.1Å; C12-Y15 PolarHBondContact O-N 3.23Å
16F96.3Very high95.3Very high22 Ų2254.2 Ų54.210%0.09632%0.315CS..Hα-helixtrans-90.5-8.1177.9-68.3-72.4000113.7M1 C12 A14 V18 P147 I222M1-F16 HydrophobicContact CB-CE2 3.92Å; M1-F16 HydrophobicContact CB-CZ 3.77Å; M1-F16 HydrophobicContact SD-CE2 3.89Å; C12-F16 WeakPolarHBondContact O-CD2 3.36Å; C12-F16 PolarHBondContact O-N 3.05Å; A14-F16 VanDerWaalsContact C-N 3.33Å; A14-F16 PolarHBondContact O-N 3.07Å; F16-V18 HydrophobicContact CB-CG1 4.12Å; F16-P147 HydrophobicContact CE1-CB 3.73Å; F16-P147 HydrophobicContact CZ-CB 3.97Å; F16-I222 HydrophobicContact CB-CD1 4.22Å; F16-I222 HydrophobicContact CD2-CD1 3.6Å; F16-I222 HydrophobicContact CD2-CG1 4.27Å; F16-I222 HydrophobicContact CE2-CD1 4.39Å; F16-I222 HydrophobicContact CG-CD1 4.27Å
17G95.4Very high95.5Very high52 Ų5259.2 Ų59.254%0.53634%0.338SS..THydrogen-bonded Turntrans61.644.8-178.400000112.5L13 A14 Q28L13-G17 WeakPolarHBondContact O-CA 3.43Å; L13-G17 PolarHBondContact O-N 2.77Å; A14-G17 PolarHBondContact O-N 3.16Å; G17-Q28 PolarHBondContact O-NE2 2.86Å
18V96.1Very high95.6Very high14 Ų1458.1 Ų58.19%0.08533%0.334CS..  trans-124.2147.2-174.369.50000111.5L13 F16 L24 I150 I222L13-V18 HydrophobicContact CD2-CG1 3.84Å; L13-V18 PolarHBondContact O-N 2.86Å; L13-V18 VanDerWaalsContact O-N 3.09Å; F16-V18 HydrophobicContact CB-CG1 4.12Å; V18-L24 HydrophobicContact CB-CD2 3.82Å; V18-L24 HydrophobicContact CG2-CD2 3.65Å; V18-L24 HydrophobicContact CG2-CG 4.08Å; V18-I150 HydrophobicContact CG1-CD1 4.18Å; V18-I150 HydrophobicContact CG2-CD1 4.48Å; V18-I150 HydrophobicContact CG2-CG1 4.14Å; V18-I222 HydrophobicContact CG1-CD1 3.52Å
19S94.7Very high95.7Very high55 Ų5556.8 Ų56.839%0.38533%0.326SS..  trans-96.3135173.5169.10000110.6T21 T22 G23S19-T21 PolarHBondContact O-N 2.9Å; S19-T21 PolarHBondContact OG-N 3.26Å; S19-T21 PolarHBondContact OG-OG1 2.85Å; S19-T22 WeakPolarHBondContact CB-OG1 3.27Å; S19-T22 PolarHBondContact O-N 3.02Å; S19-G23 WeakPolarHBondContact O-CA 3.1Å; S19-G23 PolarHBondContact O-N 3.17Å
20E93.9Very high95.8Very high62 Ų6262 Ų6229%0.2935%0.346SS..THydrogen-bonded Turntrans-56.1-35.3178.4-174.3-173154.400112.6L13 L166 K169 L220L13-E20 HydrophobicContact CD1-CB 4.36Å; L13-E20 HydrophobicContact CD2-CB 4.41Å; E20-L166 HydrophobicContact CG-CD1 4.05Å; E20-K169 IonicContact OE1-NZ 3.7Å; E20-L220 HydrophobicContact CG-CD2 3.33Å
21T91.8Very high95.8Very high117 Ų11765.3 Ų65.372%0.71835%0.354SS*.THydrogen-bonded Turntrans-87-18.3-171.954.70000114.5S19S19-T21 PolarHBondContact O-N 2.9Å; S19-T21 PolarHBondContact OG-N 3.26Å; S19-T21 PolarHBondContact OG-OG1 2.85Å
22T92.4Very high95.8Very high68 Ų6862.6 Ų62.642%0.41734%0.342SS..THydrogen-bonded Turntrans-116.6-29.7-177.559.60000112.8S19 R131 A132S19-T22 WeakPolarHBondContact CB-OG1 3.27Å; S19-T22 PolarHBondContact O-N 3.02Å; T22-R131 CarbonylContact O-C 3.51Å; T22-R131 WeakPolarHBondContact O-CA 3.48Å; T22-A132 WeakPolarHBondContact O-CA 3.37Å; T22-A132 PolarHBondContact O-N 3.48Å
23G96Very high95.8Very high3 Ų365.7 Ų65.73%0.03136%0.358CS..  trans71-167.2-172.200000113.9S19 Y130S19-G23 WeakPolarHBondContact O-CA 3.1Å; S19-G23 PolarHBondContact O-N 3.17Å; G23-Y130 WeakPolarHBondContact CA-O 3.49Å
24L96.9Very high95.7Very high0 Ų071.1 Ų71.10%038%0.383CS..BIsolated β-bridgetrans-72149-176.1-67.4-179.2000112.4V18 Q28 V29 R131 A132 V146 G148 D149V18-L24 HydrophobicContact CB-CD2 3.82Å; V18-L24 HydrophobicContact CG2-CD2 3.65Å; V18-L24 HydrophobicContact CG2-CG 4.08Å; L24-Q28 HydrophobicContact CB-CB 4.22Å; L24-Q28 HydrophobicContact CD2-CB 4.09Å; L24-V29 HydrophobicContact CB-CG2 3.97Å; L24-V29 HydrophobicContact CD1-CG2 4.39Å; L24-R131 CarbonylContact O-C 3.58Å; L24-R131 WeakPolarHBondContact O-CA 3.17Å; L24-A132 PolarHBondContact O-N 2.73Å; L24-V146 HydrophobicContact CD1-CG2 3.93Å; L24-G148 WeakPolarHBondContact CG-O 3.39Å; L24-D149 HydrophobicContact CD1-CB 4.47Å
25T97.4Very high95.6Very high55 Ų5574.3 Ų74.334%0.33738%0.382SS..  trans-76.7156.3168.270.60000111.2D27 Q28 V29 A132T25-D27 PolarHBondContact O-N 3.08Å; T25-Q28 WeakPolarHBondContact O-CB 3.47Å; T25-Q28 PolarHBondContact O-N 3.26Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.24Å; T25-Q28 PolarHBondContact OG1-N 2.88Å; T25-Q28 PolarHBondContact OG1-OE1 3.39Å; T25-V29 WeakPolarHBondContact O-CG2 3.49Å; T25-V29 PolarHBondContact O-N 2.92Å; T25-A132 HydrophobicContact CG2-CB 4.07Å
26P95.8Very high95.5Very high73 Ų7371.5 Ų71.547%0.47437%0.371SS..Hα-helixtrans-54.5-35.2175.3-2836.2000113.9V29 K30 D133P26-V29 PolarHBondContact O-N 3.08Å; P26-K30 PolarHBondContact O-N 3.13Å; P26-D133 HydrophobicContact CG-CB 3.9Å
27D95.9Very high95.5Very high132 Ų13271.5 Ų71.571%0.70638%0.378SS*.Hα-helixtrans-67.3-40.6176.2-67.2-23.5000112.1T25 V29 K30 R31T25-D27 PolarHBondContact O-N 3.08Å; D27-V29 VanDerWaalsContact C-N 3.35Å; D27-K30 PolarHBondContact O-N 3.39Å; D27-R31 WeakPolarHBondContact O-CB 3.35Å; D27-R31 PolarHBondContact O-N 2.85Å
28Q96.1Very high95.5Very high58 Ų5871.7 Ų71.727%0.27137%0.37SS..Hα-helixtrans-65-40.1173.9-73.2174.1-46.600111.2G17 L24 T25 R31 N32G17-Q28 PolarHBondContact O-NE2 2.86Å; L24-Q28 HydrophobicContact CB-CB 4.22Å; L24-Q28 HydrophobicContact CD2-CB 4.09Å; T25-Q28 WeakPolarHBondContact O-CB 3.47Å; T25-Q28 PolarHBondContact O-N 3.26Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.24Å; T25-Q28 PolarHBondContact OG1-N 2.88Å; T25-Q28 PolarHBondContact OG1-OE1 3.39Å; Q28-R31 PolarHBondContact O-N 2.83Å; Q28-N32 VanDerWaalsContact O-CB 3.26Å; Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.37Å
29V96.8Very high95.5Very high17 Ų1771.5 Ų71.510%0.10337%0.368CS..Hα-helixtrans-59.6-49.9176173.90000110.3L24 T25 P26 D27 R31 N32 L33 R131 V146L24-V29 HydrophobicContact CB-CG2 3.97Å; L24-V29 HydrophobicContact CD1-CG2 4.39Å; T25-V29 WeakPolarHBondContact O-CG2 3.49Å; T25-V29 PolarHBondContact O-N 2.92Å; P26-V29 PolarHBondContact O-N 3.08Å; D27-V29 VanDerWaalsContact C-N 3.35Å; V29-R31 PolarHBondContact O-N 2.79Å; V29-N32 PolarHBondContact O-N 3.04Å; V29-L33 WeakPolarHBondContact O-CB 3.44Å; V29-L33 PolarHBondContact O-N 2.91Å; V29-R131 HydrophobicContact CG2-CG 4.44Å; V29-V146 HydrophobicContact CG1-CG2 4.41Å
30K96.3Very high95.4Very high135 Ų13572 Ų7259%0.58737%0.365SS*.Hα-helixtrans-59.1-47.2178.5-173.9-179.2176.1-174.70111.6P26 D27 N32 L33 E34P26-K30 PolarHBondContact O-N 3.13Å; D27-K30 PolarHBondContact O-N 3.39Å; K30-N32 PolarHBondContact O-N 2.87Å; K30-L33 PolarHBondContact O-N 2.8Å; K30-E34 WeakPolarHBondContact CE-OE1 3.2Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.74Å
31R96.8Very high95.2Very high189 Ų18969.4 Ų69.471%0.71335%0.352SS*.Hα-helixtrans-63.5-39.8179.1-172.4178.4-175.4176.21.6112.5D27 Q28 V29 K35D27-R31 WeakPolarHBondContact O-CB 3.35Å; D27-R31 PolarHBondContact O-N 2.85Å; Q28-R31 PolarHBondContact O-N 2.83Å; V29-R31 PolarHBondContact O-N 2.79Å; R31-K35 WeakPolarHBondContact O-CB 3.24Å; R31-K35 PolarHBondContact O-N 3.45Å
32N96.4Very high94.8Very high22 Ų2266.4 Ų66.412%0.11834%0.335CS..Hα-helixtrans-72.6-36.7178.7-72.5-3000111.1Q28 V29 K30 K35 Y36 V146 P147Q28-N32 VanDerWaalsContact O-CB 3.26Å; Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.37Å; V29-N32 PolarHBondContact O-N 3.04Å; K30-N32 PolarHBondContact O-N 2.87Å; N32-K35 PolarHBondContact O-N 3.33Å; N32-Y36 HydrophobicContact CB-CD2 3.98Å; N32-Y36 HydrophobicContact CB-CE2 4.18Å; N32-Y36 WeakPolarHBondContact O-CB 3.34Å; N32-Y36 WeakPolarHBondContact O-CD2 3.45Å; N32-Y36 PolarHBondContact O-N 3.37Å; N32-V146 HydrophobicContact CB-CB 3.93Å; N32-V146 HydrophobicContact CB-CG2 3.8Å; N32-P147 PolarHBondContact ND2-O 3.19Å
33L95.6Very high94Very high66 Ų6666.7 Ų66.735%0.34634%0.344SS..Hα-helixtrans-63.8-42.4174.4-167.870.7000111.4V29 K30 K35 G37 V146V29-L33 WeakPolarHBondContact O-CB 3.44Å; V29-L33 PolarHBondContact O-N 2.91Å; K30-L33 PolarHBondContact O-N 2.8Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.17Å; L33-G37 WeakPolarHBondContact O-CA 3.26Å; L33-G37 PolarHBondContact O-N 2.76Å; L33-V146 HydrophobicContact CB-CG1 3.92Å; L33-V146 HydrophobicContact CD1-CG1 3.7Å; L33-V146 HydrophobicContact CG-CG1 4.44Å
34E95.6Very high92.6Very high144 Ų14471.7 Ų71.767%0.67337%0.367SS*.Hα-helixtrans-64.3-34.6174.1-74.2172.1-171.800112.4K30K30-E34 WeakPolarHBondContact CE-OE1 3.2Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 2.74Å
35K95.4Very high91.2Very high141 Ų14180.8 Ų80.861%0.61341%0.409SS*.Hα-helixtrans-79.9-43.4-177.9-176.5-179.4176.7-165.20113.5R31 N32 L33R31-K35 WeakPolarHBondContact O-CB 3.24Å; R31-K35 PolarHBondContact O-N 3.45Å; N32-K35 PolarHBondContact O-N 3.33Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.17Å
36Y94.8Very high89.7Confident76 Ų7680.4 Ų80.430%0.29842%0.416SS..Hα-helixtrans-105.4-13.5-170.8-58.9-68.3000113.1N32 P147N32-Y36 HydrophobicContact CB-CD2 3.98Å; N32-Y36 HydrophobicContact CB-CE2 4.18Å; N32-Y36 WeakPolarHBondContact O-CB 3.34Å; N32-Y36 WeakPolarHBondContact O-CD2 3.45Å; N32-Y36 PolarHBondContact O-N 3.37Å; Y36-P147 HydrophobicContact CD1-CG 4.15Å; Y36-P147 HydrophobicContact CD2-CB 3.96Å; Y36-P147 HydrophobicContact CD2-CG 3.69Å; Y36-P147 HydrophobicContact CE2-CB 3.94Å; Y36-P147 HydrophobicContact CE2-CG 4.17Å; Y36-P147 HydrophobicContact CG-CB 4.37Å; Y36-P147 HydrophobicContact CG-CG 3.69Å
37G95.6Very high88.6Confident23 Ų2381.9 Ų81.924%0.23742%0.415CS..  trans78.2178.5-173.400000113.2L33L33-G37 WeakPolarHBondContact O-CA 3.26Å; L33-G37 PolarHBondContact O-N 2.76Å
38P95.6Very high88Confident56 Ų5679 Ų7936%0.36440%0.403SS..  trans-68.2152.8174.229.9-34.2000111.6E40 R143P38-E40 VanDerWaalsContact C-N 3.3Å; P38-E40 HydrophobicContact CB-CG 4.11Å; P38-E40 HydrophobicContact CG-CG 4.01Å; P38-E40 VanDerWaalsContact CG-OE1 3.3Å; P38-E40 WeakPolarHBondContact CG-OE1 3.38Å; P38-E40 PolarHBondContact O-N 2.9Å; P38-E40 VanDerWaalsContact O-N 3.09Å; P38-R143 WeakPolarHBondContact CA-O 3.31Å
39N96.8Very high87.4Confident9 Ų980.7 Ų80.75%0.04841%0.413CS..SBendtrans-84.770.4174.9178.947.4000111.2A142 R143 I145 P160 T226 G227N39-A142 WeakPolarHBondContact CB-O 3.24Å; N39-A142 PolarHBondContact ND2-O 2.9Å; N39-R143 PolarHBondContact N-O 2.91Å; N39-R143 WeakPolarHBondContact O-CA 3.5Å; N39-I145 VanDerWaalsContact CB-O 3.26Å; N39-I145 WeakPolarHBondContact CB-O 3.32Å; N39-P160 PolarHBondContact ND2-O 3.28Å; N39-T226 HydrophobicContact CB-CG2 3.9Å; N39-T226 VanDerWaalsContact OD1-CA 3.3Å; N39-T226 WeakPolarHBondContact OD1-CA 3.25Å; N39-T226 VanDerWaalsContact OD1-CB 3.23Å; N39-T226 WeakPolarHBondContact OD1-CB 3.29Å; N39-G227 PolarHBondContact OD1-N 3.47Å
40E92.4Very high86.9Confident67 Ų6788.7 Ų88.731%0.31344%0.441SS..SBendtrans-146.5149.8176.865.4-164.2161.400110.3P38 R143P38-E40 VanDerWaalsContact C-N 3.3Å; P38-E40 HydrophobicContact CB-CG 4.11Å; P38-E40 HydrophobicContact CG-CG 4.01Å; P38-E40 VanDerWaalsContact CG-OE1 3.3Å; P38-E40 WeakPolarHBondContact CG-OE1 3.38Å; P38-E40 PolarHBondContact O-N 2.9Å; P38-E40 VanDerWaalsContact O-N 3.09Å; E40-R143 HydrophobicContact CB-CB 4.37Å; E40-R143 IonicContact OE1-CZ 2.99Å; E40-R143 IonicContact OE1-NE 3.28Å; E40-R143 IonicContact OE1-NH2 3.34Å; E40-R143 PolarHBondContact OE1-NH2 3.49Å; E40-R143 IonicContact OE2-CZ 2.66Å; E40-R143 IonicContact OE2-NE 3.04Å; E40-R143 PolarHBondContact OE2-NE 3Å; E40-R143 IonicContact OE2-NH1 2.67Å; E40-R143 IonicContact OE2-NH2 2.77Å
41L88.8Confident86.4Confident6 Ų686.6 Ų86.63%0.03143%0.434CS..PPolyproline II helixtrans-76.3136.7172-66.4172.3000110.8A43 L119 K120 E123 R236L41-A43 PolarHBondContact O-N 2.75Å; L41-L119 HydrophobicContact CD1-CB 4.48Å; L41-K120 WeakPolarHBondContact O-CE 3.24Å; L41-E123 WeakPolarHBondContact CG-OE1 3.35Å; L41-E123 PolarHBondContact N-OE1 3.33Å; L41-R236 HydrophobicContact CD1-CB 4.34Å; L41-R236 HydrophobicContact CD1-CG 4.42Å; L41-R236 HydrophobicContact CD2-CB 4.1Å; L41-R236 HydrophobicContact CD2-CG 4.24Å
42P84.3Confident85.7Confident55 Ų5578.3 Ų78.336%0.35740%0.404SS..PPolyproline II helixtrans-57.8140.9178.6-19.929.8000111.8V228P42-V228 HydrophobicContact CG-CG1 4.08Å
43A74.3Confident85.3Confident73 Ų7379.7 Ų79.760%0.60341%0.412SS*.PPolyproline II helixtrans-69.2143163.700000109.7L41L41-A43 PolarHBondContact O-N 2.75Å
44E68.4Low85Confident108 Ų10880.1 Ų80.151%0.50542%0.415SS..PPolyproline II helixtrans-86.2135.3174.3-162.7157-149.200108.8G46 I116E44-G46 PolarHBondContact O-N 3.25Å; E44-I116 WeakPolarHBondContact OE2-CD1 3.4Å
45E67.4Low84.5Confident192 Ų19276.3 Ų76.390%0.89740%0.397SS*.  trans-82.791.8173.5-66.1-177.3174.600107.1
46G65.2Low84Confident47 Ų4771.9 Ų71.949%0.48538%0.378SS..PPolyproline II helixtrans-64.4148.3173.900000111.2E44E44-G46 PolarHBondContact O-N 3.25Å
47K73Confident83.7Confident103 Ų10370.9 Ų70.945%0.44838%0.376SS..PPolyproline II helixtrans-59.6141.7175.8-64.7-173.7-169.5-178.90110L52 E55K47-L52 HydrophobicContact CB-CD2 4.22Å; K47-L52 HydrophobicContact CB-CG 4.19Å; K47-L52 HydrophobicContact CD-CD2 4.04Å; K47-E55 WeakPolarHBondContact CE-OE1 3.23Å; K47-E55 IonicContact NZ-OE1 2.94Å; K47-E55 PolarHBondContact NZ-OE1 3.5Å; K47-E55 IonicContact NZ-OE2 3.63Å; K47-E55 PolarHBondContact NZ-OE2 3.28Å
48T83.2Confident83.2Confident73 Ų7375 Ų7545%0.44839%0.388SS..PPolyproline II helixtrans-71.4152.9174.463.70000110.3W50 E51 L52T48-W50 PolarHBondContact O-N 3.09Å; T48-E51 PolarHBondContact N-OE2 2.79Å; T48-E51 PolarHBondContact O-N 3.17Å; T48-E51 VanDerWaalsContact OG1-CG 3.32Å; T48-E51 WeakPolarHBondContact OG1-CG 3.49Å; T48-E51 PolarHBondContact OG1-N 2.93Å; T48-E51 PolarHBondContact OG1-OE2 2.92Å; T48-L52 PolarHBondContact O-N 3.2Å; T48-L52 VanDerWaalsContact O-N 3.12Å
49L82.1Confident82.5Confident93 Ų9375.5 Ų75.549%0.48739%0.388SS..Hα-helixtrans-54.3-30.2174.9-72.8170.6000112.6V53 V106L49-V53 VanDerWaalsContact O-CG2 3.28Å; L49-V53 WeakPolarHBondContact O-CG2 3.24Å; L49-V53 PolarHBondContact O-N 3.27Å; L49-V53 VanDerWaalsContact O-N 3.17Å; L49-V106 HydrophobicContact CD2-CG1 4.33Å
50W86.5Confident81.7Confident184 Ų18479.1 Ų79.170%0.69741%0.407SS*.Hα-helixtrans-72.1-40.4178.6-176.8-105.5000112.5T48 V53 I54T48-W50 PolarHBondContact O-N 3.09Å; W50-V53 PolarHBondContact O-N 3.17Å; W50-I54 WeakPolarHBondContact O-CG1 3.36Å; W50-I54 PolarHBondContact O-N 3.05Å; W50-I54 VanDerWaalsContact O-N 3.08Å
51E85.7Confident81Confident91 Ų9177.2 Ų77.243%0.42540%0.399SS..Hα-helixtrans-63.9-43.9175-72.8159.5163.200111T48 V53 I54 E55T48-E51 PolarHBondContact N-OE2 2.79Å; T48-E51 PolarHBondContact O-N 3.17Å; T48-E51 VanDerWaalsContact OG1-CG 3.32Å; T48-E51 WeakPolarHBondContact OG1-CG 3.49Å; T48-E51 PolarHBondContact OG1-N 2.93Å; T48-E51 PolarHBondContact OG1-OE2 2.92Å; E51-V53 VanDerWaalsContact C-N 3.29Å; E51-V53 PolarHBondContact O-N 2.98Å; E51-I54 PolarHBondContact O-N 3.28Å; E51-I54 VanDerWaalsContact O-N 3.09Å; E51-E55 WeakPolarHBondContact O-CG 3.45Å; E51-E55 PolarHBondContact O-N 3.21Å
52L82.9Confident80.7Confident16 Ų1678.5 Ų78.58%0.08441%0.407CS..Hα-helixtrans-58.7-39.9175-67.4171.5000112.2K47 T48 E55 Q56 V106 E109K47-L52 HydrophobicContact CB-CD2 4.22Å; K47-L52 HydrophobicContact CB-CG 4.19Å; K47-L52 HydrophobicContact CD-CD2 4.04Å; T48-L52 PolarHBondContact O-N 3.2Å; T48-L52 VanDerWaalsContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 3.15Å; L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.4Å; L52-V106 HydrophobicContact CB-CG1 4.36Å; L52-V106 HydrophobicContact CB-CG2 4.16Å; L52-E109 HydrophobicContact CD2-CB 4.41Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.46Å
53V87.9Confident80.8Confident50 Ų5082 Ų8230%0.30341%0.413SS..Hα-helixtrans-63.8-42.9175.3170.60000111.1L49 W50 E51 E55 Q56 F57 V106L49-V53 VanDerWaalsContact O-CG2 3.28Å; L49-V53 WeakPolarHBondContact O-CG2 3.24Å; L49-V53 PolarHBondContact O-N 3.27Å; L49-V53 VanDerWaalsContact O-N 3.17Å; W50-V53 PolarHBondContact O-N 3.17Å; E51-V53 VanDerWaalsContact C-N 3.29Å; E51-V53 PolarHBondContact O-N 2.98Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.48Å; V53-Q56 PolarHBondContact O-N 3.45Å; V53-F57 HydrophobicContact CG1-CE2 4.18Å; V53-F57 VanDerWaalsContact O-CD2 3.27Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-V106 HydrophobicContact CG2-CG2 3.85Å
54I89.1Confident81.2Confident76 Ų7680.1 Ų80.139%0.3939%0.392SS..Hα-helixtrans-62.5-41.7179.4-72.3173.8000111.2W50 E51 Q56 F57 E58W50-I54 WeakPolarHBondContact O-CG1 3.36Å; W50-I54 PolarHBondContact O-N 3.05Å; W50-I54 VanDerWaalsContact O-N 3.08Å; E51-I54 PolarHBondContact O-N 3.28Å; E51-I54 VanDerWaalsContact O-N 3.09Å; I54-Q56 PolarHBondContact O-N 3.19Å; I54-F57 PolarHBondContact O-N 2.96Å; I54-E58 PolarHBondContact O-N 3.16Å
55E84.9Confident81.9Confident63 Ų6375.4 Ų75.429%0.29437%0.371SS..Hα-helixtrans-58.5-35179.9-74.4179.1-179.600112.4K47 E51 L52 V53 F57 E58K47-E55 WeakPolarHBondContact CE-OE1 3.23Å; K47-E55 IonicContact NZ-OE1 2.94Å; K47-E55 PolarHBondContact NZ-OE1 3.5Å; K47-E55 IonicContact NZ-OE2 3.63Å; K47-E55 PolarHBondContact NZ-OE2 3.28Å; E51-E55 WeakPolarHBondContact O-CG 3.45Å; E51-E55 PolarHBondContact O-N 3.21Å; L52-E55 PolarHBondContact O-N 3.15Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.48Å; E55-F57 PolarHBondContact O-N 3.39Å; E55-E58 WeakPolarHBondContact O-CB 3.09Å; E55-E58 PolarHBondContact O-N 3.29Å
56Q84.8Confident82.8Confident49 Ų4969.1 Ų69.123%0.22934%0.343CS..THydrogen-bonded Turntrans-63.2-22.4175.2-59.7-58.9-4700113.3L52 V53 I54 A102 V106 E109L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.4Å; V53-Q56 PolarHBondContact O-N 3.45Å; I54-Q56 PolarHBondContact O-N 3.19Å; Q56-A102 HydrophobicContact CB-CB 4.05Å; Q56-A102 HydrophobicContact CG-CB 4.45Å; Q56-V106 HydrophobicContact CG-CG2 4.06Å; Q56-E109 PolarHBondContact NE2-OE2 2.77Å
57F88.7Confident83.8Confident55 Ų5571.9 Ų71.924%0.24135%0.346CS..THydrogen-bonded Turntrans-98.36.3175.8-65.5-86.2000113.4V53 I54 E55 V62 R63 L66 L98 A102V53-F57 HydrophobicContact CG1-CE2 4.18Å; V53-F57 VanDerWaalsContact O-CD2 3.27Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; I54-F57 PolarHBondContact O-N 2.96Å; E55-F57 PolarHBondContact O-N 3.39Å; F57-V62 HydrophobicContact CD1-CG1 3.78Å; F57-V62 HydrophobicContact CE1-CG1 4.43Å; F57-V62 HydrophobicContact CG-CG1 4.42Å; F57-R63 WeakPolarHBondContact O-CG 3.38Å; F57-R63 PolarHBondContact O-NE 3.08Å; F57-L66 HydrophobicContact CD1-CD2 4.43Å; F57-L98 HydrophobicContact CE1-CB 4.17Å; F57-A102 HydrophobicContact CE2-CB 3.91Å; F57-A102 HydrophobicContact CZ-CB 4.08Å
58E84.9Confident84.2Confident109 Ų10967.1 Ų67.151%0.50933%0.326SS..THydrogen-bonded Turntrans-83-23.9175.7-67.6-165.2158.600113.7I54 E55 R63I54-E58 PolarHBondContact O-N 3.16Å; E55-E58 WeakPolarHBondContact O-CB 3.09Å; E55-E58 PolarHBondContact O-N 3.29Å; E58-R63 PolarHBondContact O-NE 2.83Å; E58-R63 VanDerWaalsContact O-NE 3.12Å; E58-R63 PolarHBondContact O-NH2 3.03Å
59D80.4Confident84.4Confident67 Ų6764 Ų6436%0.35831%0.307SS..SBendtrans-59.9141.2178.1179.9-99.6000112.5L61 V62 R63D59-L61 PolarHBondContact O-N 3.16Å; D59-L61 VanDerWaalsContact OD1-CB 3.32Å; D59-L61 WeakPolarHBondContact OD1-CB 3.4Å; D59-L61 PolarHBondContact OD1-N 3.15Å; D59-V62 HydrophobicContact CB-CB 4.23Å; D59-V62 HydrophobicContact CB-CG2 4.01Å; D59-V62 PolarHBondContact O-N 3.35Å; D59-V62 PolarHBondContact OD1-N 2.74Å; D59-R63 VanDerWaalsContact O-CG 3.31Å; D59-R63 WeakPolarHBondContact O-CG 3.47Å; D59-R63 PolarHBondContact O-N 3.5Å
60L80.6Confident84.6Confident85 Ų8563 Ų6345%0.44531%0.307SS..Hα-helixtrans-66.4-38.6-173.7-171.468.5000112.4R63 I64 S261L60-R63 PolarHBondContact O-N 2.79Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 2.97Å; L60-S261 WeakPolarHBondContact CD2-OG 3.33Å
61L78.3Confident84.3Confident27 Ų2755.3 Ų55.314%0.14128%0.28CS..Hα-helixtrans-68-42.4178.2-65.7177000110.6D59 R63 I64 L65 L260 S261 I307D59-L61 PolarHBondContact O-N 3.16Å; D59-L61 VanDerWaalsContact OD1-CB 3.32Å; D59-L61 WeakPolarHBondContact OD1-CB 3.4Å; D59-L61 PolarHBondContact OD1-N 3.15Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 3.01Å; L61-I64 PolarHBondContact O-N 2.94Å; L61-I64 VanDerWaalsContact O-N 3.14Å; L61-L65 PolarHBondContact O-N 3.14Å; L61-L260 HydrophobicContact CD2-CD2 4.21Å; L61-S261 VanDerWaalsContact CD2-OG 3.29Å; L61-S261 WeakPolarHBondContact CD2-OG 3.37Å; L61-I307 HydrophobicContact CD2-CD1 4.47Å; L61-I307 HydrophobicContact CD2-CG1 4.34Å
62V83.2Confident84.1Confident33 Ų3351.1 Ų51.120%0.226%0.261CS..Hα-helixtrans-61.1-39.6176177.40000110.8F57 D59 L65 L66 L98F57-V62 HydrophobicContact CD1-CG1 3.78Å; F57-V62 HydrophobicContact CE1-CG1 4.43Å; F57-V62 HydrophobicContact CG-CG1 4.42Å; D59-V62 HydrophobicContact CB-CB 4.23Å; D59-V62 HydrophobicContact CB-CG2 4.01Å; D59-V62 PolarHBondContact O-N 3.35Å; D59-V62 PolarHBondContact OD1-N 2.74Å; V62-L65 PolarHBondContact O-N 2.95Å; V62-L66 WeakPolarHBondContact O-CB 3.32Å; V62-L66 PolarHBondContact O-N 3.28Å; V62-L98 HydrophobicContact CG1-CD2 3.91Å
63R85.8Confident84.2Confident127 Ų12755.4 Ų55.448%0.47928%0.279SS..Hα-helixtrans-65.3-36.9174.4-73.5173.3176.9179.34.6113.1F57 E58 D59 L60 L61 L66 L67F57-R63 WeakPolarHBondContact O-CG 3.38Å; F57-R63 PolarHBondContact O-NE 3.08Å; E58-R63 PolarHBondContact O-NE 2.83Å; E58-R63 VanDerWaalsContact O-NE 3.12Å; E58-R63 PolarHBondContact O-NH2 3.03Å; D59-R63 VanDerWaalsContact O-CG 3.31Å; D59-R63 WeakPolarHBondContact O-CG 3.47Å; D59-R63 PolarHBondContact O-N 3.5Å; L60-R63 PolarHBondContact O-N 2.79Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 3.01Å; R63-L66 PolarHBondContact O-N 3.02Å; R63-L67 WeakPolarHBondContact O-CB 3.38Å; R63-L67 PolarHBondContact O-N 2.92Å
64I82.8Confident84Confident34 Ų3456.7 Ų56.717%0.17429%0.286CS..Hα-helixtrans-65.1-44.9174.3-69.9168.9000110.3L60 L61 L67 A68 A303 I307L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 2.97Å; L61-I64 PolarHBondContact O-N 2.94Å; L61-I64 VanDerWaalsContact O-N 3.14Å; I64-L67 WeakPolarHBondContact O-CB 3.42Å; I64-L67 PolarHBondContact O-N 2.91Å; I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 2.88Å; I64-A303 HydrophobicContact CG2-CB 4.03Å; I64-I307 HydrophobicContact CG2-CD1 4.17Å
65L82.7Confident83.4Confident9 Ų954.7 Ų54.75%0.04728%0.277CS..Hα-helixtrans-64.2-39.4174.8-81169.8000112.5L61 V62 L67 A68 A69 L98 V304 I307 E309L61-L65 PolarHBondContact O-N 3.14Å; V62-L65 PolarHBondContact O-N 2.95Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-A68 WeakPolarHBondContact O-CB 3.41Å; L65-A68 PolarHBondContact O-N 3.16Å; L65-A69 WeakPolarHBondContact O-CB 3.45Å; L65-A69 PolarHBondContact O-N 2.79Å; L65-L98 HydrophobicContact CB-CD1 4.49Å; L65-L98 HydrophobicContact CB-CD2 3.95Å; L65-L98 HydrophobicContact CD1-CD2 4.26Å; L65-V304 HydrophobicContact CD2-CG2 4.44Å; L65-I307 HydrophobicContact CD1-CD1 4.18Å; L65-I307 HydrophobicContact CD1-CG2 3.95Å; L65-I307 HydrophobicContact CD2-CD1 4.06Å; L65-I307 HydrophobicContact CG-CD1 3.64Å; L65-E309 HydrophobicContact CD1-CG 4.18Å
66L87.3Confident83.1Confident61 Ų6152.2 Ų52.232%0.31927%0.266SS..Hα-helixtrans-65.5-39.3176-175.865000111.1F57 V62 R63 A69 C70 L98F57-L66 HydrophobicContact CD1-CD2 4.43Å; V62-L66 WeakPolarHBondContact O-CB 3.32Å; V62-L66 PolarHBondContact O-N 3.28Å; R63-L66 PolarHBondContact O-N 3.02Å; L66-A69 PolarHBondContact O-N 2.96Å; L66-C70 PolarHBondContact O-N 2.92Å; L66-C70 PolarHBondContact O-SG 2.79Å; L66-C70 VanDerWaalsContact O-SG 3.34Å; L66-L98 HydrophobicContact CB-CD1 4.1Å; L66-L98 HydrophobicContact CD1-CD1 3.97Å
67L84.9Confident82.9Confident105 Ų10558.2 Ų58.255%0.5529%0.287SS..Hα-helixtrans-62.1-46.3172.6178.863.2000110.7R63 I64 L65 A69 C70 I71R63-L67 WeakPolarHBondContact O-CB 3.38Å; R63-L67 PolarHBondContact O-N 2.92Å; I64-L67 WeakPolarHBondContact O-CB 3.42Å; I64-L67 PolarHBondContact O-N 2.91Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 3.24Å; L67-C70 PolarHBondContact O-N 2.94Å; L67-I71 HydrophobicContact CD1-CD1 3.96Å; L67-I71 HydrophobicContact CD1-CG1 4.29Å; L67-I71 HydrophobicContact CG-CD1 3.75Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.49Å; L67-I71 PolarHBondContact O-N 2.74Å
68A82.4Confident82.3Confident3 Ų363.1 Ų63.13%0.02531%0.309CS..Hα-helixtrans-57.1-44.5173.900000112.1I64 L65 I71 S72 V300I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 2.88Å; L65-A68 WeakPolarHBondContact O-CB 3.41Å; L65-A68 PolarHBondContact O-N 3.16Å; A68-I71 PolarHBondContact O-N 2.94Å; A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.45Å; A68-S72 PolarHBondContact O-N 3.42Å; A68-V300 HydrophobicContact CB-CG1 3.92Å
69A85.7Confident81.6Confident7 Ų763.7 Ų63.76%0.05831%0.311CS..Hα-helixtrans-61.2-45.8176.200000112.2L65 L66 L67 S72 F73 I94L65-A69 WeakPolarHBondContact O-CB 3.45Å; L65-A69 PolarHBondContact O-N 2.79Å; L66-A69 PolarHBondContact O-N 2.96Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 3.24Å; A69-S72 PolarHBondContact O-N 3.12Å; A69-F73 WeakPolarHBondContact O-CB 3.17Å; A69-F73 PolarHBondContact O-N 3.43Å; A69-I94 HydrophobicContact CB-CB 4.15Å; A69-I94 HydrophobicContact CB-CG2 3.69Å
70C86.4Confident80.6Confident72 Ų7269.2 Ų69.249%0.48634%0.335SS..Hα-helixtrans-61.9-43.1176.9-750000111.8L66 L67 F73 V74L66-C70 PolarHBondContact O-N 2.92Å; L66-C70 PolarHBondContact O-SG 2.79Å; L66-C70 VanDerWaalsContact O-SG 3.34Å; L67-C70 PolarHBondContact O-N 2.94Å; C70-F73 PolarHBondContact O-N 2.9Å; C70-V74 WeakPolarHBondContact O-CG2 3.44Å; C70-V74 PolarHBondContact O-N 2.9Å
71I81Confident79.5Confident23 Ų2367.7 Ų67.712%0.11834%0.34CS..Hα-helixtrans-65.6-50.1178.2-66.4162.7000110.2L67 A68 F73 V74 L75 F296 V300L67-I71 HydrophobicContact CD1-CD1 3.96Å; L67-I71 HydrophobicContact CD1-CG1 4.29Å; L67-I71 HydrophobicContact CG-CD1 3.75Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.49Å; L67-I71 PolarHBondContact O-N 2.74Å; A68-I71 PolarHBondContact O-N 2.94Å; I71-F73 PolarHBondContact O-N 3.5Å; I71-V74 WeakPolarHBondContact O-CB 3.42Å; I71-V74 PolarHBondContact O-N 3.01Å; I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 HydrophobicContact CG2-CG 4.19Å; I71-L75 WeakPolarHBondContact O-CG 3.15Å; I71-L75 PolarHBondContact O-N 2.95Å; I71-F296 HydrophobicContact CB-CE1 4.04Å; I71-F296 HydrophobicContact CD1-CD1 4.32Å; I71-F296 HydrophobicContact CD1-CE1 3.3Å; I71-F296 HydrophobicContact CD1-CE2 4.32Å; I71-F296 HydrophobicContact CD1-CZ 3.28Å; I71-F296 HydrophobicContact CG1-CE1 3.51Å; I71-F296 HydrophobicContact CG1-CZ 3.93Å; I71-F296 HydrophobicContact CG2-CD1 3.52Å; I71-F296 HydrophobicContact CG2-CE1 3.32Å; I71-F296 HydrophobicContact CG2-CZ 4.41Å; I71-V300 HydrophobicContact CB-CG2 3.99Å; I71-V300 HydrophobicContact CD1-CG2 4.06Å; I71-V300 HydrophobicContact CG2-CG2 3.63Å
72S80.8Confident78.2Confident3 Ų376 Ų762%0.02138%0.378CS..Hα-helixtrans-55.7-41.2177.7-174.30000111.2A68 A69 L75 A76 E90 P91A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.45Å; A68-S72 PolarHBondContact O-N 3.42Å; A69-S72 PolarHBondContact O-N 3.12Å; S72-L75 PolarHBondContact O-N 3.02Å; S72-A76 WeakPolarHBondContact O-CB 3.28Å; S72-A76 PolarHBondContact O-N 3.08Å; S72-E90 WeakPolarHBondContact CB-OE1 3.47Å; S72-E90 WeakPolarHBondContact OG-CG 3.36Å; S72-E90 PolarHBondContact OG-OE1 3.42Å; S72-P91 WeakPolarHBondContact OG-CD 3.37Å
73F85.6Confident77.1Confident105 Ų10579.9 Ų79.946%0.46139%0.394SS..Hα-helixtrans-64.5-41.5175.7-169.7-91.7000113A69 C70 I71 W77 F88 P91A69-F73 WeakPolarHBondContact O-CB 3.17Å; A69-F73 PolarHBondContact O-N 3.43Å; C70-F73 PolarHBondContact O-N 2.9Å; I71-F73 PolarHBondContact O-N 3.5Å; F73-W77 HydrophobicContact CE1-CE3 4.49Å; F73-W77 WeakPolarHBondContact O-CB 3.28Å; F73-W77 PolarHBondContact O-N 3.35Å; F73-W77 VanDerWaalsContact O-N 3.14Å; F73-F88 HydrophobicContact CD2-CD1 4.33Å; F73-F88 HydrophobicContact CD2-CE1 4.38Å; F73-F88 HydrophobicContact CE2-CD1 4.13Å; F73-F88 HydrophobicContact CE2-CE1 4.05Å; F73-F88 HydrophobicContact CZ-CE1 4.37Å; F73-P91 HydrophobicContact CB-CB 3.91Å; F73-P91 HydrophobicContact CB-CG 4.46Å; F73-P91 HydrophobicContact CD2-CB 4.18Å; F73-P91 HydrophobicContact CD2-CG 4.29Å
74V83.5Confident76Confident77 Ų7778.6 Ų78.647%0.46740%0.4SS..Hα-helixtrans-64.7-45.3175.5169.80000110.4C70 I71 W77 F78C70-V74 WeakPolarHBondContact O-CG2 3.44Å; C70-V74 PolarHBondContact O-N 2.9Å; I71-V74 WeakPolarHBondContact O-CB 3.42Å; I71-V74 PolarHBondContact O-N 3.01Å; V74-W77 WeakPolarHBondContact O-CB 3.19Å; V74-W77 PolarHBondContact O-N 3.26Å; V74-F78 HydrophobicContact CG1-CD2 3.73Å; V74-F78 HydrophobicContact CG1-CE2 3.87Å; V74-F78 WeakPolarHBondContact O-CD2 3.41Å; V74-F78 PolarHBondContact O-N 3.35Å; V74-F78 VanDerWaalsContact O-N 3.14Å
75L76.2Confident75.2Confident35 Ų3584.3 Ų84.318%0.18343%0.43CS..Hα-helixtrans-60.2-50.9179.1-68.6175000111.5I71 S72 W77 F78 E79 I293 K297I71-L75 HydrophobicContact CG2-CD1 3.84Å; I71-L75 HydrophobicContact CG2-CG 4.19Å; I71-L75 WeakPolarHBondContact O-CG 3.15Å; I71-L75 PolarHBondContact O-N 2.95Å; S72-L75 PolarHBondContact O-N 3.02Å; L75-W77 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 2.8Å; L75-E79 PolarHBondContact O-N 2.81Å; L75-I293 HydrophobicContact CD2-CG2 3.45Å; L75-I293 VanDerWaalsContact CD2-CG2 3.45Å; L75-K297 HydrophobicContact CD1-CB 4.13Å; L75-K297 HydrophobicContact CD1-CG 4.39Å
76A78.9Confident74.7Confident10 Ų1085.4 Ų85.48%0.08344%0.437CS..Hα-helixtrans-59.1-28.6176.900000112.9S72 A87 F88 P91S72-A76 WeakPolarHBondContact O-CB 3.28Å; S72-A76 PolarHBondContact O-N 3.08Å; A76-A87 HydrophobicContact CB-CB 4.36Å; A76-A87 WeakPolarHBondContact CB-O 3.43Å; A76-F88 HydrophobicContact CB-CD1 4.11Å; A76-F88 HydrophobicContact CB-CE1 4.1Å; A76-P91 HydrophobicContact CB-CG 4.49Å
77W81.4Confident74.1Confident176 Ų17683.7 Ų83.767%0.66743%0.432SS*.Hα-helixtrans-76.9-29.5176.7-169.8-84.2000113.6F73 V74 L75 F88F73-W77 HydrophobicContact CE1-CE3 4.49Å; F73-W77 WeakPolarHBondContact O-CB 3.28Å; F73-W77 PolarHBondContact O-N 3.35Å; F73-W77 VanDerWaalsContact O-N 3.14Å; V74-W77 WeakPolarHBondContact O-CB 3.19Å; V74-W77 PolarHBondContact O-N 3.26Å; L75-W77 PolarHBondContact O-N 3.13Å; W77-F88 HydrophobicContact CE3-CE1 4.18Å; W77-F88 AromaticContact CE3-CZ 3.88Å; W77-F88 HydrophobicContact CE3-CZ 3.88Å; W77-F88 HydrophobicContact CZ3-CZ 4.48Å
78F75.6Confident74.1Confident158 Ų15882.2 Ų82.269%0.69342%0.421SS*.Hα-helixtrans-100.90-177.9-75.8-73.4000113.9V74 L75 E80V74-F78 HydrophobicContact CG1-CD2 3.73Å; V74-F78 HydrophobicContact CG1-CE2 3.87Å; V74-F78 WeakPolarHBondContact O-CD2 3.41Å; V74-F78 PolarHBondContact O-N 3.35Å; V74-F78 VanDerWaalsContact O-N 3.14Å; L75-F78 PolarHBondContact O-N 2.8Å; F78-E80 PolarHBondContact O-N 2.7Å
79E69.4Low74.1Confident120 Ų12083.8 Ų83.856%0.56143%0.43SS*.  trans-74.1120.4178.3-160160.1-156.800110.5L75L75-E79 PolarHBondContact O-N 2.81Å
80E60.1Low73.9Confident183 Ų18384.8 Ų84.886%0.85543%0.433SS*.  trans-93.697.8177.7-70.3177.9159.500108.9F78F78-E80 PolarHBondContact O-N 2.7Å
81G57.8Low73.9Confident53 Ų5381.6 Ų81.655%0.54641%0.412SS..SBendtrans-171.7168.1-179.400000115.4E83G81-E83 VanDerWaalsContact C-N 3.32Å; G81-E83 PolarHBondContact O-N 2.83Å
82E51.6Low74.3Confident202 Ų20286.9 Ų86.994%0.94443%0.434SS*.SBendtrans-72.7-14.7-175.3-69.1-170.4159.300114.3T84E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.37Å; E82-T84 VanDerWaalsContact O-N 3.1Å
83E58.8Low74.5Confident114 Ų11488.8 Ų88.853%0.53345%0.446SS..  trans-85.340.7-175.3-69.3-167.3165.500114.9G81 I85 T86 A87 K958G81-E83 VanDerWaalsContact C-N 3.32Å; G81-E83 PolarHBondContact O-N 2.83Å; E83-I85 PolarHBondContact O-N 3.49Å; E83-I85 VanDerWaalsContact O-N 3.08Å; E83-T86 PolarHBondContact O-N 3.16Å; E83-T86 PolarHBondContact O-OG1 3.01Å; E83-A87 PolarHBondContact O-N 2.82Å; E83-K958 IonicContact OE2-NZ 3.03Å; E83-K958 PolarHBondContact OE2-NZ 3.44Å
84T62.5Low74.5Confident101 Ų10183.9 Ų83.962%0.6242%0.424SS*.THydrogen-bonded Turntrans-59.9-23.8-175.5510000115.3E82E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.37Å; E82-T84 VanDerWaalsContact O-N 3.1Å
85I66.5Low74.8Confident154 Ų15483.9 Ų83.979%0.7942%0.421SS*.THydrogen-bonded Turntrans-80.6-35.8-178.4-60.7179000111.8E83E83-I85 PolarHBondContact O-N 3.49Å; E83-I85 VanDerWaalsContact O-N 3.08Å
86T72Confident75.4Confident31 Ų3186.7 Ų86.719%0.1944%0.436CS..THydrogen-bonded Turntrans-92.4-24.4-17546.50000113.1E83 F88 V89E83-T86 PolarHBondContact O-N 3.16Å; E83-T86 PolarHBondContact O-OG1 3.01Å; T86-F88 VanDerWaalsContact C-N 3.27Å; T86-F88 PolarHBondContact O-N 3.38Å; T86-V89 VanDerWaalsContact O-CB 3.3Å; T86-V89 WeakPolarHBondContact O-CB 3.25Å; T86-V89 VanDerWaalsContact O-CG2 3.32Å; T86-V89 WeakPolarHBondContact O-CG2 3.38Å; T86-V89 PolarHBondContact O-N 3.19Å
87A74.8Confident75.8Confident26 Ų2686.6 Ų86.622%0.21543%0.434CS..THydrogen-bonded Turntrans-57.1-34.5-178.900000114.1A76 E83 V89A76-A87 HydrophobicContact CB-CB 4.36Å; A76-A87 WeakPolarHBondContact CB-O 3.43Å; E83-A87 PolarHBondContact O-N 2.82Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.2Å
88F84.4Confident76Confident73 Ų7378.4 Ų78.432%0.3240%0.403SS..THydrogen-bonded Turntrans-84.1-1.8178.8-72.6-77000114.7F73 A76 W77 T86 P91 F92F73-F88 HydrophobicContact CD2-CD1 4.33Å; F73-F88 HydrophobicContact CD2-CE1 4.38Å; F73-F88 HydrophobicContact CE2-CD1 4.13Å; F73-F88 HydrophobicContact CE2-CE1 4.05Å; F73-F88 HydrophobicContact CZ-CE1 4.37Å; A76-F88 HydrophobicContact CB-CD1 4.11Å; A76-F88 HydrophobicContact CB-CE1 4.1Å; W77-F88 HydrophobicContact CE3-CE1 4.18Å; W77-F88 AromaticContact CE3-CZ 3.88Å; W77-F88 HydrophobicContact CE3-CZ 3.88Å; W77-F88 HydrophobicContact CZ3-CZ 4.48Å; T86-F88 VanDerWaalsContact C-N 3.27Å; T86-F88 PolarHBondContact O-N 3.38Å; F88-P91 HydrophobicContact CD1-CG 4.43Å; F88-P91 WeakPolarHBondContact O-CD 3.37Å; F88-P91 WeakPolarHBondContact O-CG 3.32Å; F88-F92 VanDerWaalsContact O-CB 3.22Å; F88-F92 WeakPolarHBondContact O-CB 3.24Å; F88-F92 PolarHBondContact O-N 3.06Å
89V83.6Confident76.7Confident36 Ų3674.9 Ų74.922%0.21839%0.391CS..Hα-helixtrans-65.1-45.8-179.91750000110.7T86 A87 F92 V93 V790 I956T86-V89 VanDerWaalsContact O-CB 3.3Å; T86-V89 WeakPolarHBondContact O-CB 3.25Å; T86-V89 VanDerWaalsContact O-CG2 3.32Å; T86-V89 WeakPolarHBondContact O-CG2 3.38Å; T86-V89 PolarHBondContact O-N 3.19Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.2Å; V89-F92 PolarHBondContact O-N 3.27Å; V89-V93 HydrophobicContact CG1-CG2 3.93Å; V89-V93 VanDerWaalsContact O-CG2 3.26Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 3.01Å; V89-V790 HydrophobicContact CG1-CG1 4.42Å; V89-I956 HydrophobicContact CG1-CG2 3.98Å
90E80.6Confident77.4Confident28 Ų2871.2 Ų71.213%0.13138%0.381CS..Hα-helixtrans-56.2-57.6-179-172.6-169.712800113.1S72 F92 V93 I94 P789 V790S72-E90 WeakPolarHBondContact CB-OE1 3.47Å; S72-E90 WeakPolarHBondContact OG-CG 3.36Å; S72-E90 PolarHBondContact OG-OE1 3.42Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.42Å; E90-V93 PolarHBondContact O-N 3.29Å; E90-I94 HydrophobicContact CG-CD1 4.26Å; E90-I94 WeakPolarHBondContact O-CG1 3.26Å; E90-I94 PolarHBondContact O-N 2.84Å; E90-I94 VanDerWaalsContact O-N 3.16Å; E90-P789 HydrophobicContact CG-CB 4.15Å; E90-V790 HydrophobicContact CB-CG2 3.87Å; E90-V790 HydrophobicContact CG-CG2 4.19Å
91P86.6Confident78.4Confident6 Ų664.6 Ų64.64%0.03935%0.352CS..Hα-helixtrans-65.8-30.3-179.525.8-34.8000112.7S72 F73 A76 F88 L95S72-P91 WeakPolarHBondContact OG-CD 3.37Å; F73-P91 HydrophobicContact CB-CB 3.91Å; F73-P91 HydrophobicContact CB-CG 4.46Å; F73-P91 HydrophobicContact CD2-CB 4.18Å; F73-P91 HydrophobicContact CD2-CG 4.29Å; A76-P91 HydrophobicContact CB-CG 4.49Å; F88-P91 HydrophobicContact CD1-CG 4.43Å; F88-P91 WeakPolarHBondContact O-CD 3.37Å; F88-P91 WeakPolarHBondContact O-CG 3.32Å; P91-L95 WeakPolarHBondContact O-CB 3.46Å; P91-L95 PolarHBondContact O-N 2.92Å; P91-L95 VanDerWaalsContact O-N 3.08Å
92F89.1Confident79.7Confident133 Ų13362.5 Ų62.558%0.58333%0.329SS*.Hα-helixtrans-69.5-42.5177.8-175.7-101.1000112.2F88 V89 E90 L95 L96F88-F92 VanDerWaalsContact O-CB 3.22Å; F88-F92 WeakPolarHBondContact O-CB 3.24Å; F88-F92 PolarHBondContact O-N 3.06Å; V89-F92 PolarHBondContact O-N 3.27Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.42Å; F92-L95 PolarHBondContact O-N 3.42Å; F92-L96 HydrophobicContact CE1-CD1 4.04Å; F92-L96 HydrophobicContact CZ-CD1 4.47Å; F92-L96 VanDerWaalsContact O-CB 3.29Å; F92-L96 WeakPolarHBondContact O-CB 3.4Å; F92-L96 PolarHBondContact O-N 3Å
93V85.9Confident81.3Confident44 Ų4458.1 Ų58.127%0.26731%0.311SS..Hα-helixtrans-65.5-43.8178.1174.30000110.6V89 E90 L95 L96 I97 L793V89-V93 HydrophobicContact CG1-CG2 3.93Å; V89-V93 VanDerWaalsContact O-CG2 3.26Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 3.01Å; E90-V93 PolarHBondContact O-N 3.29Å; V93-L95 PolarHBondContact O-N 3.39Å; V93-L96 PolarHBondContact O-N 2.97Å; V93-I97 HydrophobicContact CG1-CD1 4.07Å; V93-I97 WeakPolarHBondContact O-CG1 3.18Å; V93-I97 PolarHBondContact O-N 2.83Å; V93-L793 HydrophobicContact CB-CD1 4.48Å; V93-L793 HydrophobicContact CG1-CD1 3.88Å
94I85.5Confident82.1Confident2 Ų255.1 Ų55.11%0.0130%0.3CS..Hα-helixtrans-60-47.5176.5-59.9167.8000110.2A69 E90 L96 I97 L98 V304 L793A69-I94 HydrophobicContact CB-CB 4.15Å; A69-I94 HydrophobicContact CB-CG2 3.69Å; E90-I94 HydrophobicContact CG-CD1 4.26Å; E90-I94 WeakPolarHBondContact O-CG1 3.26Å; E90-I94 PolarHBondContact O-N 2.84Å; E90-I94 VanDerWaalsContact O-N 3.16Å; I94-L96 VanDerWaalsContact C-N 3.32Å; I94-L96 PolarHBondContact O-N 3.16Å; I94-I97 PolarHBondContact O-N 3.04Å; I94-L98 HydrophobicContact CG2-CD1 4.41Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 2.75Å; I94-V304 HydrophobicContact CD1-CG2 4.4Å; I94-L793 HydrophobicContact CG1-CD1 3.8Å
95L89.5Confident82.6Confident77 Ų7750.8 Ų50.840%0.40328%0.276SS..Hα-helixtrans-62.7-39178.9-170.270.6000112.2P91 F92 V93 I97 L98 I99P91-L95 WeakPolarHBondContact O-CB 3.46Å; P91-L95 PolarHBondContact O-N 2.92Å; P91-L95 VanDerWaalsContact O-N 3.08Å; F92-L95 PolarHBondContact O-N 3.42Å; V93-L95 PolarHBondContact O-N 3.39Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-L98 PolarHBondContact O-N 2.87Å; L95-I99 HydrophobicContact CD2-CD1 4.5Å; L95-I99 HydrophobicContact CG-CD1 4.05Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.33Å; L95-I99 PolarHBondContact O-N 2.99Å
96L89.3Confident83.2Confident93 Ų9344.3 Ų44.349%0.48724%0.243SC..Hα-helixtrans-62.4-42.1177.1-175.8150.8000111.4F92 V93 I94 I99 A100F92-L96 HydrophobicContact CE1-CD1 4.04Å; F92-L96 HydrophobicContact CZ-CD1 4.47Å; F92-L96 VanDerWaalsContact O-CB 3.29Å; F92-L96 WeakPolarHBondContact O-CB 3.4Å; F92-L96 PolarHBondContact O-N 3Å; V93-L96 PolarHBondContact O-N 2.97Å; I94-L96 VanDerWaalsContact C-N 3.32Å; I94-L96 PolarHBondContact O-N 3.16Å; L96-I99 PolarHBondContact O-N 3.21Å; L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 2.86Å
97I85.6Confident83.2Confident9 Ų950.1 Ų50.15%0.04626%0.262CS..Hα-helixtrans-63.5-45.9176.1-69.4169000110.4V93 I94 L95 I99 A100 N101 E309 L793 L797V93-I97 HydrophobicContact CG1-CD1 4.07Å; V93-I97 WeakPolarHBondContact O-CG1 3.18Å; V93-I97 PolarHBondContact O-N 2.83Å; I94-I97 PolarHBondContact O-N 3.04Å; L95-I97 VanDerWaalsContact C-N 3.34Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 2.64Å; I97-A100 PolarHBondContact O-N 3.44Å; I97-N101 WeakPolarHBondContact O-CB 3.46Å; I97-N101 PolarHBondContact O-N 3.22Å; I97-E309 HydrophobicContact CG2-CB 4.21Å; I97-L793 HydrophobicContact CD1-CD2 3.82Å; I97-L797 HydrophobicContact CD1-CD2 4.32Å; I97-L797 HydrophobicContact CG1-CD2 4.3Å
98L86.9Confident82.8Confident4 Ų451.8 Ų51.82%0.02127%0.265CS..Hα-helixtrans-59-43.6177.3-71.4-179.8000112.2F57 V62 L65 L66 I94 L95 A102F57-L98 HydrophobicContact CE1-CB 4.17Å; V62-L98 HydrophobicContact CG1-CD2 3.91Å; L65-L98 HydrophobicContact CB-CD1 4.49Å; L65-L98 HydrophobicContact CB-CD2 3.95Å; L65-L98 HydrophobicContact CD1-CD2 4.26Å; L66-L98 HydrophobicContact CB-CD1 4.1Å; L66-L98 HydrophobicContact CD1-CD1 3.97Å; I94-L98 HydrophobicContact CG2-CD1 4.41Å; I94-L98 WeakPolarHBondContact O-CG 3.35Å; I94-L98 PolarHBondContact O-N 2.75Å; L95-L98 PolarHBondContact O-N 2.87Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.42Å
99I89.4Confident81.8Confident84 Ų8452 Ų5243%0.43127%0.267SS..Hα-helixtrans-64.5-45.4176.1-69.3167.3000110.9L95 L96 I97 N101 A102 I103L95-I99 HydrophobicContact CD2-CD1 4.5Å; L95-I99 HydrophobicContact CG-CD1 4.05Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.33Å; L95-I99 PolarHBondContact O-N 2.99Å; L96-I99 PolarHBondContact O-N 3.21Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 2.64Å; I99-N101 PolarHBondContact O-N 3.34Å; I99-A102 PolarHBondContact O-N 3.45Å; I99-I103 HydrophobicContact CG2-CD1 3.76Å; I99-I103 HydrophobicContact CG2-CG1 4.41Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.44Å; I99-I103 PolarHBondContact O-N 3.16Å
100A85Confident80.9Confident43 Ų4358.2 Ų58.236%0.35529%0.287SS..Hα-helixtrans-61.6-44.8179.300000111.5L96 I97 I103 V104L96-A100 WeakPolarHBondContact O-CB 3.35Å; L96-A100 PolarHBondContact O-N 2.86Å; I97-A100 PolarHBondContact O-N 3.44Å; A100-I103 PolarHBondContact O-N 3.31Å; A100-V104 WeakPolarHBondContact O-CG2 3.41Å; A100-V104 PolarHBondContact O-N 3.29Å
101N80.6Confident79.6Confident44 Ų4461.6 Ų61.624%0.23531%0.305CS..Hα-helixtrans-62.3-44.6176.5-74.9-10.2000111.6I97 I99 I103 V104 G105I97-N101 WeakPolarHBondContact O-CB 3.46Å; I97-N101 PolarHBondContact O-N 3.22Å; I99-N101 PolarHBondContact O-N 3.34Å; N101-I103 PolarHBondContact O-N 2.82Å; N101-V104 PolarHBondContact O-N 2.69Å; N101-G105 PolarHBondContact O-N 2.92Å
102A84.8Confident78Confident9 Ų964.3 Ų64.37%0.07433%0.328CS..Hα-helixtrans-62.4-41176.400000112.3Q56 F57 L98 I99 G105 V106Q56-A102 HydrophobicContact CB-CB 4.05Å; Q56-A102 HydrophobicContact CG-CB 4.45Å; F57-A102 HydrophobicContact CE2-CB 3.91Å; F57-A102 HydrophobicContact CZ-CB 4.08Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.42Å; I99-A102 PolarHBondContact O-N 3.45Å; A102-G105 PolarHBondContact O-N 3.18Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.41Å; A102-V106 PolarHBondContact O-N 3.14Å
103I84.9Confident76.5Confident110 Ų11063.1 Ų63.156%0.56433%0.325SS*.Hα-helixtrans-62-45175.8-70.6167.2000110.9I99 A100 N101 W107I99-I103 HydrophobicContact CG2-CD1 3.76Å; I99-I103 HydrophobicContact CG2-CG1 4.41Å; I99-I103 VanDerWaalsContact O-CG1 3.27Å; I99-I103 WeakPolarHBondContact O-CG1 3.44Å; I99-I103 PolarHBondContact O-N 3.16Å; A100-I103 PolarHBondContact O-N 3.31Å; N101-I103 PolarHBondContact O-N 2.82Å; I103-W107 VanDerWaalsContact O-CB 3.27Å; I103-W107 WeakPolarHBondContact O-CB 3.39Å; I103-W107 PolarHBondContact O-N 3.28Å
104V76.9Confident75.4Confident51 Ų5165.5 Ų65.531%0.30934%0.336SS..Hα-helixtrans-63.2-44.3178.1172.60000110.6A100 N101 W107 Q108 T316A100-V104 WeakPolarHBondContact O-CG2 3.41Å; A100-V104 PolarHBondContact O-N 3.29Å; N101-V104 PolarHBondContact O-N 2.69Å; V104-W107 PolarHBondContact O-N 3.3Å; V104-Q108 WeakPolarHBondContact O-CG 3.36Å; V104-Q108 PolarHBondContact O-N 2.87Å; V104-Q108 VanDerWaalsContact O-N 3.12Å; V104-T316 HydrophobicContact CG1-CG2 4.29Å
105G73.4Confident74.2Confident10 Ų1066.2 Ų66.210%0.10334%0.342CS..Hα-helixtrans-59.3-52.8176.900000112.7N101 A102 W107 Q108 E109N101-G105 PolarHBondContact O-N 2.92Å; A102-G105 PolarHBondContact O-N 3.18Å; G105-W107 VanDerWaalsContact C-N 3.29Å; G105-W107 PolarHBondContact O-N 3.28Å; G105-Q108 WeakPolarHBondContact O-CB 3.21Å; G105-Q108 PolarHBondContact O-N 3.4Å; G105-Q108 VanDerWaalsContact O-N 3.1Å; G105-E109 PolarHBondContact O-N 2.85Å; G105-E109 VanDerWaalsContact O-N 3.14Å
106V78.9Confident73.1Confident17 Ų1763 Ų6310%0.10333%0.325CS..Hα-helixtrans-62.2-37179173.70000112L49 L52 V53 Q56 A102 Q108 E109 R110L49-V106 HydrophobicContact CD2-CG1 4.33Å; L52-V106 HydrophobicContact CB-CG1 4.36Å; L52-V106 HydrophobicContact CB-CG2 4.16Å; V53-V106 HydrophobicContact CG2-CG2 3.85Å; Q56-V106 HydrophobicContact CG-CG2 4.06Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.41Å; A102-V106 PolarHBondContact O-N 3.14Å; V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 3.48Å; V106-E109 PolarHBondContact O-N 3.34Å; V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 PolarHBondContact O-N 3.33Å
107W72Confident72.3Confident153 Ų15364.6 Ų64.658%0.5833%0.33SS*.Hα-helixtrans-66-33.2177.5-178.468.2000112.6I103 V104 G105 N111I103-W107 VanDerWaalsContact O-CB 3.27Å; I103-W107 WeakPolarHBondContact O-CB 3.39Å; I103-W107 PolarHBondContact O-N 3.28Å; V104-W107 PolarHBondContact O-N 3.3Å; G105-W107 VanDerWaalsContact C-N 3.29Å; G105-W107 PolarHBondContact O-N 3.28Å; W107-N111 PolarHBondContact O-ND2 3.33Å; W107-N111 VanDerWaalsContact O-ND2 3.11Å
108Q64.8Low71.7Confident62 Ų6264.7 Ų64.729%0.2933%0.332SS..Hα-helixtrans-70-46.4175.8-71.4175.211.800111.8V104 G105 V106 N111 T316V104-Q108 WeakPolarHBondContact O-CG 3.36Å; V104-Q108 PolarHBondContact O-N 2.87Å; V104-Q108 VanDerWaalsContact O-N 3.12Å; G105-Q108 WeakPolarHBondContact O-CB 3.21Å; G105-Q108 PolarHBondContact O-N 3.4Å; G105-Q108 VanDerWaalsContact O-N 3.1Å; V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 3.48Å; Q108-N111 PolarHBondContact O-N 3.49Å; Q108-T316 PolarHBondContact NE2-OG1 3.14Å
109E64.6Low70.9Confident76 Ų7664.5 Ų64.536%0.35533%0.331SS..Hα-helixtrans-65.9-40.5-179.3-76.7175.1158.200112.2L52 Q56 G105 V106 N111 A112L52-E109 HydrophobicContact CD2-CB 4.41Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.46Å; Q56-E109 PolarHBondContact NE2-OE2 2.77Å; G105-E109 PolarHBondContact O-N 2.85Å; G105-E109 VanDerWaalsContact O-N 3.14Å; V106-E109 PolarHBondContact O-N 3.34Å; E109-N111 PolarHBondContact O-N 3.47Å; E109-N111 VanDerWaalsContact O-N 3.15Å; E109-A112 WeakPolarHBondContact O-CB 3.31Å; E109-A112 PolarHBondContact O-N 3.37Å; E109-A112 VanDerWaalsContact O-N 3.08Å
110R64.3Low70.3Confident168 Ų16863.7 Ų63.763%0.63432%0.324SS*.Hα-helixtrans-61.9-27-178.1-172.8179.5175.5-179-1.6114V106 A112V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 PolarHBondContact O-N 3.33Å; R110-A112 VanDerWaalsContact C-N 3.26Å; R110-A112 PolarHBondContact O-N 2.99Å
111N54.5Low69.9Low98 Ų9868.1 Ų68.152%0.52434%0.338SS..THydrogen-bonded Turntrans-78.7-7.2-179.8-72.3-37.3000113.3W107 Q108 E109W107-N111 PolarHBondContact O-ND2 3.33Å; W107-N111 VanDerWaalsContact O-ND2 3.11Å; Q108-N111 PolarHBondContact O-N 3.49Å; E109-N111 PolarHBondContact O-N 3.47Å; E109-N111 VanDerWaalsContact O-N 3.15Å
112A52.8Low69.7Low63 Ų6368.1 Ų68.152%0.52134%0.335SS..SBendtrans-94.7-13-169.900000115.7E109 R110E109-A112 WeakPolarHBondContact O-CB 3.31Å; E109-A112 PolarHBondContact O-N 3.37Å; E109-A112 VanDerWaalsContact O-N 3.08Å; R110-A112 VanDerWaalsContact C-N 3.26Å; R110-A112 PolarHBondContact O-N 2.99Å
113E56Low69.7Low108 Ų10870.1 Ų70.151%0.50534%0.343SS..  trans-100.2139.8-173-65.1-178.1168.400112.5
114N63.8Low69.8Low94 Ų9466 Ų6650%0.50332%0.323SS..  trans156.812159.9-78.9-18.1000114.8I116 E117 A118N114-I116 PolarHBondContact O-N 3.16Å; N114-E117 PolarHBondContact O-N 3.37Å; N114-E117 PolarHBondContact OD1-OE2 3Å; N114-A118 PolarHBondContact O-N 2.62Å
115A60.7Low70.3Confident17 Ų1771.2 Ų71.214%0.1434%0.344CS..Hα-helixtrans-64-39.2-176.900000114.7A118 M239 T729 A730A115-A118 PolarHBondContact O-N 2.67Å; A115-M239 HydrophobicContact CB-CE 3.84Å; A115-T729 WeakPolarHBondContact CA-OG1 3.36Å; A115-T729 WeakPolarHBondContact CB-O 3.02Å; A115-A730 HydrophobicContact CB-CB 4.46Å
116I65.3Low71.2Confident10 Ų1073.4 Ų73.45%0.05135%0.352CS..Hα-helixtrans-75.1-27.6179.9-71.6167.2000111.7E44 N114 L119 R236 A240E44-I116 WeakPolarHBondContact OE2-CD1 3.4Å; N114-I116 PolarHBondContact O-N 3.16Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.17Å; I116-R236 HydrophobicContact CG2-CG 4.3Å; I116-A240 HydrophobicContact CD1-CB 4.12Å
117E73.1Confident72Confident127 Ų12773 Ų7359%0.59335%0.351SS*.Hα-helixtrans-67-39.4172.2-68.7-160.6151.700112N114 L119 K120N114-E117 PolarHBondContact O-N 3.37Å; N114-E117 PolarHBondContact OD1-OE2 3Å; E117-L119 PolarHBondContact O-N 3.5Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 3.36Å
118A72.8Confident73.2Confident10 Ų1067.7 Ų67.78%0.08333%0.333CS..Hα-helixtrans-61.8-28.1176.400000112.8N114 A115 K120 E121 V726 T729N114-A118 PolarHBondContact O-N 2.62Å; A115-A118 PolarHBondContact O-N 2.67Å; A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 3.35Å; A118-E121 WeakPolarHBondContact O-CB 3.23Å; A118-E121 PolarHBondContact O-N 3.2Å; A118-V726 VanDerWaalsContact C-CG2 3.45Å; A118-V726 HydrophobicContact CB-CG2 3.82Å; A118-V726 WeakPolarHBondContact O-CG2 3.02Å; A118-T729 HydrophobicContact CB-CG2 4.31Å
119L69.8Low74.7Confident0 Ų064.8 Ų64.80%032%0.319CS..Hα-helixtrans-65-34.4173.9-88.2158.6000112L41 I116 E117 E121 Y122 I232 R236 M239 V705 V726L41-L119 HydrophobicContact CD1-CB 4.48Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.17Å; E117-L119 PolarHBondContact O-N 3.5Å; L119-E121 PolarHBondContact O-N 3.02Å; L119-Y122 WeakPolarHBondContact O-CB 3.25Å; L119-Y122 PolarHBondContact O-N 3.49Å; L119-I232 HydrophobicContact CD2-CD1 3.96Å; L119-I232 HydrophobicContact CD2-CG1 3.84Å; L119-R236 HydrophobicContact CD1-CB 4.28Å; L119-M239 HydrophobicContact CD1-CE 4.33Å; L119-M239 HydrophobicContact CD1-SD 3.64Å; L119-V705 HydrophobicContact CD2-CG1 3.5Å; L119-V705 VanDerWaalsContact CD2-CG1 3.5Å; L119-V726 HydrophobicContact CB-CG2 4.42Å; L119-V726 HydrophobicContact CD1-CG1 4.48Å; L119-V726 HydrophobicContact CD2-CG1 4.09Å; L119-V726 HydrophobicContact CD2-CG2 4.25Å; L119-V726 HydrophobicContact CG-CG1 3.88Å; L119-V726 HydrophobicContact CG-CG2 3.92Å
120K76.6Confident76.2Confident67 Ų6763.5 Ų63.529%0.29131%0.311SS..Hα-helixtrans-66-23.2179.6-66.3-176.2173.3-177.30112.9L41 E117 A118 Y122 E123L41-K120 WeakPolarHBondContact O-CE 3.24Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 3.36Å; A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 3.35Å; K120-Y122 PolarHBondContact O-N 2.91Å; K120-Y122 VanDerWaalsContact O-N 3.17Å; K120-E123 WeakPolarHBondContact O-CB 3.17Å; K120-E123 PolarHBondContact O-N 3Å
121E77.6Confident77.8Confident137 Ų13757 Ų5764%0.6429%0.286SS*.THydrogen-bonded Turntrans-63-20172.9-61.2-172.9164.900112.7A118 L119 K158A118-E121 WeakPolarHBondContact O-CB 3.23Å; A118-E121 PolarHBondContact O-N 3.2Å; L119-E121 PolarHBondContact O-N 3.02Å; E121-K158 PolarHBondContact O-NZ 3.28Å
122Y77.2Confident79.7Confident43 Ų4354.6 Ų54.617%0.16928%0.28CS..THydrogen-bonded Turntrans-84-11.9174.2-66.5-81.7000113.4L119 K120 K158 I179 G211 V705 T724 V726L119-Y122 WeakPolarHBondContact O-CB 3.25Å; L119-Y122 PolarHBondContact O-N 3.49Å; K120-Y122 PolarHBondContact O-N 2.91Å; K120-Y122 VanDerWaalsContact O-N 3.17Å; Y122-K158 WeakPolarHBondContact O-CD 3.45Å; Y122-I179 HydrophobicContact CD1-CG2 4.14Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Y122-G211 WeakPolarHBondContact O-CA 3.3Å; Y122-V705 HydrophobicContact CD2-CG2 4.41Å; Y122-V705 HydrophobicContact CE2-CG2 4Å; Y122-T724 WeakPolarHBondContact OH-CB 3.36Å; Y122-V726 HydrophobicContact CD2-CG2 4.02Å; Y122-V726 HydrophobicContact CE2-CB 4.47Å; Y122-V726 HydrophobicContact CE2-CG2 3.57Å
123E83.4Confident81.6Confident51 Ų5155.4 Ų55.424%0.23828%0.276CS..SBendtrans-78.3124.1171.7-61.1-172.7140.800109.8L41 K120L41-E123 WeakPolarHBondContact CG-OE1 3.35Å; L41-E123 PolarHBondContact N-OE1 3.33Å; K120-E123 WeakPolarHBondContact O-CB 3.17Å; K120-E123 PolarHBondContact O-N 3Å
124P86.5Confident83.2Confident23 Ų2357.6 Ų57.615%0.14928%0.28CS..  trans-70.6145.6173.328-31.1000110.5M126 A142 K158 P160P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 2.89Å; P124-A142 HydrophobicContact CG-CB 4.21Å; P124-A142 WeakPolarHBondContact O-CB 3.4Å; P124-K158 HydrophobicContact CB-CB 4.24Å; P124-P160 HydrophobicContact CG-CB 3.83Å
125E89.2Confident84.2Confident162 Ų16263 Ų6376%0.75730%0.299SS*.SBendtrans-65.9-33.7174.9-169.2-174176.900111.9K141 A142E125-K141 WeakPolarHBondContact O-CA 3.35Å; E125-A142 PolarHBondContact O-N 3.17Å
126M92.6Very high85.5Confident56 Ų5665.5 Ų65.528%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-132.8150.4-172.4-58.3-67.8-72.600111.9P124 R139 I140 K141P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 2.89Å; M126-R139 HydrophobicContact CB-CG 4.04Å; M126-R139 HydrophobicContact CE-CG 3.95Å; M126-I140 CarbonylContact C-O 3.47Å; M126-I140 WeakPolarHBondContact CA-O 3.41Å; M126-I140 VanDerWaalsContact CE-C 3.42Å; M126-I140 WeakPolarHBondContact CE-O 3.26Å; M126-K141 HydrophobicContact SD-CB 4.42Å; M126-K141 HydrophobicContact SD-CG 3.96Å
127G94.4Very high86.8Confident8 Ų867.8 Ų67.88%0.08233%0.333CS..EExtended strand (participates in β ladder)trans-137167.4170.200000112.2R139 I140G127-R139 CarbonylContact O-C 3.58Å; G127-R139 VanDerWaalsContact O-CA 3.31Å; G127-R139 WeakPolarHBondContact O-CA 3.15Å; G127-I140 PolarHBondContact N-O 3.19Å; G127-I140 PolarHBondContact O-N 3.37Å
128K96.9Very high87.8Confident42 Ų4262.7 Ų62.718%0.18331%0.31CS..EExtended strand (participates in β ladder)trans-110.3126-177.3-71.2176.1-70-178.90110.7V137 Q138 R139 V151 E152 D157K128-V137 HydrophobicContact CB-CG2 3.82Å; K128-V137 HydrophobicContact CG-CG2 4.37Å; K128-Q138 CarbonylContact C-O 3.5Å; K128-Q138 WeakPolarHBondContact CA-O 3.37Å; K128-R139 HydrophobicContact CG-CB 4.49Å; K128-R139 HydrophobicContact CG-CG 4.47Å; K128-V151 VanDerWaalsContact O-CA 3.29Å; K128-V151 WeakPolarHBondContact O-CA 3.37Å; K128-E152 HydrophobicContact CB-CB 4.34Å; K128-E152 WeakPolarHBondContact CB-O 3.38Å; K128-E152 WeakPolarHBondContact CE-O 3.4Å; K128-E152 PolarHBondContact O-N 2.9Å; K128-D157 WeakPolarHBondContact CE-OD2 3.43Å; K128-D157 IonicContact NZ-OD1 3.75Å; K128-D157 IonicContact NZ-OD2 3.13Å; K128-D157 PolarHBondContact NZ-OD2 3.44Å
129V97.3Very high88.8Confident0 Ų071 Ų710%034%0.339CS..EExtended strand (participates in β ladder)trans-130.9155.1-178.6-62.80000112.5R131 Q138 I140 I145 D149 I150 V151V129-R131 HydrophobicContact CG2-CG 4.11Å; V129-Q138 HydrophobicContact CG2-CB 4.34Å; V129-Q138 PolarHBondContact N-O 3.04Å; V129-Q138 PolarHBondContact O-N 2.78Å; V129-I140 HydrophobicContact CG1-CD1 4.09Å; V129-I140 HydrophobicContact CG1-CG1 4.42Å; V129-I140 HydrophobicContact CG2-CD1 3.67Å; V129-I140 HydrophobicContact CG2-CG1 3.96Å; V129-I140 HydrophobicContact CG2-CG2 4.38Å; V129-I145 HydrophobicContact CG1-CD1 4.3Å; V129-I145 HydrophobicContact CG1-CG1 4.03Å; V129-D149 HydrophobicContact CG1-CB 4.25Å; V129-I150 CarbonylContact C-O 3.55Å; V129-I150 WeakPolarHBondContact CA-O 3.46Å; V129-V151 HydrophobicContact CG1-CG1 3.83Å
130Y96.6Very high90.1Very high50 Ų5072.1 Ų72.120%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-103.1128.3160.4-70.3-87.8000108.6G23 V137 I150 E152 L220G23-Y130 WeakPolarHBondContact CA-O 3.49Å; Y130-V137 HydrophobicContact CE1-CB 4.02Å; Y130-V137 HydrophobicContact CE2-CB 4.22Å; Y130-V137 HydrophobicContact CE2-CG2 4.18Å; Y130-I150 HydrophobicContact CD2-CG2 4.27Å; Y130-I150 PolarHBondContact N-O 2.9Å; Y130-E152 HydrophobicContact CE2-CB 4.1Å; Y130-E152 PolarHBondContact OH-OE2 3.4Å; Y130-L220 HydrophobicContact CD2-CD1 3.76Å; Y130-L220 HydrophobicContact CE2-CD1 3.49Å; Y130-L220 VanDerWaalsContact CE2-CD1 3.49Å
131R95.9Very high91Very high30 Ų3074.2 Ų74.211%0.11335%0.354CS..BIsolated β-bridgetrans-135.8146.7176.6-72.6-179.5174.3172.71.6108.8T22 L24 V29 V129 D133 R134 D144 D149T22-R131 CarbonylContact O-C 3.51Å; T22-R131 WeakPolarHBondContact O-CA 3.48Å; L24-R131 CarbonylContact O-C 3.58Å; L24-R131 WeakPolarHBondContact O-CA 3.17Å; V29-R131 HydrophobicContact CG2-CG 4.44Å; V129-R131 HydrophobicContact CG2-CG 4.11Å; R131-D133 WeakPolarHBondContact CB-OD1 3.49Å; R131-D133 PolarHBondContact O-N 2.84Å; R131-R134 PolarHBondContact O-N 3.1Å; R131-D144 PolarHBondContact NH2-O 3.45Å; R131-D149 IonicContact CZ-OD1 3.27Å; R131-D149 IonicContact CZ-OD2 3.02Å; R131-D149 IonicContact NE-OD1 3.99Å; R131-D149 PolarHBondContact NE-OD1 2.97Å; R131-D149 VanDerWaalsContact NE-OD1 3.15Å; R131-D149 IonicContact NE-OD2 2.77Å; R131-D149 IonicContact NH2-OD1 3.54Å; R131-D149 IonicContact NH2-OD2 2.85Å; R131-D149 PolarHBondContact NH2-OD2 3.11Å
132A94.4Very high91.8Very high48 Ų4867.9 Ų67.940%0.39733%0.325SS..THydrogen-bonded Turntrans-65.5-15.7-166.100000113.8T22 L24 T25 R134T22-A132 WeakPolarHBondContact O-CA 3.37Å; T22-A132 PolarHBondContact O-N 3.48Å; L24-A132 PolarHBondContact O-N 2.73Å; T25-A132 HydrophobicContact CG2-CB 4.07Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 2.88Å
133D92.8Very high92.7Very high81 Ų8171.2 Ų71.243%0.43334%0.337SS..THydrogen-bonded Turntrans-72.8-18.6176.469.2-53.6000113.3P26 R131 Q138P26-D133 HydrophobicContact CG-CB 3.9Å; R131-D133 WeakPolarHBondContact CB-OD1 3.49Å; R131-D133 PolarHBondContact O-N 2.84Å; D133-Q138 PolarHBondContact OD1-NE2 3.47Å; D133-Q138 PolarHBondContact OD2-NE2 3.01Å
134R90.2Very high93.4Very high154 Ų15471.7 Ų71.758%0.58134%0.341SS*.  trans-139.8145.1175.1-54.1-176.4-163.7-178.6-4.7112.8R131 A132 Q138R131-R134 PolarHBondContact O-N 3.1Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 2.88Å; R134-Q138 HydrophobicContact CB-CG 4.29Å; R134-Q138 VanDerWaalsContact CB-NE2 3.28Å; R134-Q138 VanDerWaalsContact CD-CD 3.44Å; R134-Q138 VanDerWaalsContact CD-NE2 3.32Å; R134-Q138 HydrophobicContact CG-CG 4.5Å
135K85.1Confident93.9Very high208 Ų20870.6 Ų70.690%0.90433%0.334SS*.SBendtrans-76.6-30.5177.9-168172.5-176.9177.80113.8
136A88.4Confident94.3Very high69 Ų6962.9 Ų62.957%0.5730%0.298SS*.SBendtrans-91.2153.3179.500000111.1Q138A136-Q138 PolarHBondContact O-N 2.95Å
137V92.3Very high94.6Very high57 Ų5760.3 Ų60.335%0.34529%0.286SS..  trans-55.8136.1173.966.50000110.4K128 Y130 E152K128-V137 HydrophobicContact CB-CG2 3.82Å; K128-V137 HydrophobicContact CG-CG2 4.37Å; Y130-V137 HydrophobicContact CE1-CB 4.02Å; Y130-V137 HydrophobicContact CE2-CB 4.22Å; Y130-V137 HydrophobicContact CE2-CG2 4.18Å; V137-E152 HydrophobicContact CG2-CB 4.41Å
138Q93.1Very high94.7Very high20 Ų2060 Ų609%0.09328%0.282CS..EExtended strand (participates in β ladder)trans-110.3136.8178.5-50.4-171.633.700109.4K128 V129 D133 R134 A136 I140K128-Q138 CarbonylContact C-O 3.5Å; K128-Q138 WeakPolarHBondContact CA-O 3.37Å; V129-Q138 HydrophobicContact CG2-CB 4.34Å; V129-Q138 PolarHBondContact N-O 3.04Å; V129-Q138 PolarHBondContact O-N 2.78Å; D133-Q138 PolarHBondContact OD1-NE2 3.47Å; D133-Q138 PolarHBondContact OD2-NE2 3.01Å; R134-Q138 HydrophobicContact CB-CG 4.29Å; R134-Q138 VanDerWaalsContact CB-NE2 3.28Å; R134-Q138 VanDerWaalsContact CD-CD 3.44Å; R134-Q138 VanDerWaalsContact CD-NE2 3.32Å; R134-Q138 HydrophobicContact CG-CG 4.5Å; A136-Q138 PolarHBondContact O-N 2.95Å; Q138-I140 HydrophobicContact CB-CG2 4.38Å
139R94.4Very high94.8Very high184 Ų18458 Ų5869%0.69427%0.273SS*.EExtended strand (participates in β ladder)trans-100114.2171.7-171.4175.9155.9-166.2-6.3108.6M126 G127 K128M126-R139 HydrophobicContact CB-CG 4.04Å; M126-R139 HydrophobicContact CE-CG 3.95Å; G127-R139 CarbonylContact O-C 3.58Å; G127-R139 VanDerWaalsContact O-CA 3.31Å; G127-R139 WeakPolarHBondContact O-CA 3.15Å; K128-R139 HydrophobicContact CG-CB 4.49Å; K128-R139 HydrophobicContact CG-CG 4.47Å
140I96.3Very high94.8Very high24 Ų2458 Ų5812%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-121.6170.5-176.763.5170.5000110.2M126 G127 V129 Q138 D144 I145M126-I140 CarbonylContact C-O 3.47Å; M126-I140 WeakPolarHBondContact CA-O 3.41Å; M126-I140 VanDerWaalsContact CE-C 3.42Å; M126-I140 WeakPolarHBondContact CE-O 3.26Å; G127-I140 PolarHBondContact N-O 3.19Å; G127-I140 PolarHBondContact O-N 3.37Å; V129-I140 HydrophobicContact CG1-CD1 4.09Å; V129-I140 HydrophobicContact CG1-CG1 4.42Å; V129-I140 HydrophobicContact CG2-CD1 3.67Å; V129-I140 HydrophobicContact CG2-CG1 3.96Å; V129-I140 HydrophobicContact CG2-CG2 4.38Å; Q138-I140 HydrophobicContact CB-CG2 4.38Å; I140-D144 HydrophobicContact CD1-CB 4.23Å; I140-I145 HydrophobicContact CD1-CG1 3.99Å; I140-I145 HydrophobicContact CG1-CG1 4.27Å
141K96.3Very high94.9Very high111 Ų11155.7 Ų55.748%0.48327%0.265SS..EExtended strand (participates in β ladder)trans-64140173.1-63.4-176174-174.20109.8E125 M126 R143 D144E125-K141 WeakPolarHBondContact O-CA 3.35Å; M126-K141 HydrophobicContact SD-CB 4.42Å; M126-K141 HydrophobicContact SD-CG 3.96Å; K141-R143 HydrophobicContact CB-CG 4.04Å; K141-R143 PolarHBondContact O-N 3.26Å; K141-D144 PolarHBondContact O-N 2.84Å
142A95.4Very high95Very high5 Ų555.2 Ų55.24%0.04126%0.264CS..G310 helixtrans-62.4-32.5-178.400000112.3N39 P124 E125 D144 I145 P160N39-A142 WeakPolarHBondContact CB-O 3.24Å; N39-A142 PolarHBondContact ND2-O 2.9Å; P124-A142 HydrophobicContact CG-CB 4.21Å; P124-A142 WeakPolarHBondContact O-CB 3.4Å; E125-A142 PolarHBondContact O-N 3.17Å; A142-D144 PolarHBondContact O-N 3.25Å; A142-I145 VanDerWaalsContact O-CB 3.32Å; A142-I145 WeakPolarHBondContact O-CB 3.18Å; A142-I145 PolarHBondContact O-N 2.8Å; A142-I145 VanDerWaalsContact O-N 3.12Å; A142-P160 HydrophobicContact CB-CB 4.16Å
143R96Very high95.1Very high112 Ų11253.2 Ų53.242%0.42325%0.247SC..G310 helixtrans-60.5-22.6174.473176.8-66.7-175.16.6114.8P38 N39 E40 K141P38-R143 WeakPolarHBondContact CA-O 3.31Å; N39-R143 PolarHBondContact N-O 2.91Å; N39-R143 WeakPolarHBondContact O-CA 3.5Å; E40-R143 HydrophobicContact CB-CB 4.37Å; E40-R143 IonicContact OE1-CZ 2.99Å; E40-R143 IonicContact OE1-NE 3.28Å; E40-R143 IonicContact OE1-NH2 3.34Å; E40-R143 PolarHBondContact OE1-NH2 3.49Å; E40-R143 IonicContact OE2-CZ 2.66Å; E40-R143 IonicContact OE2-NE 3.04Å; E40-R143 PolarHBondContact OE2-NE 3Å; E40-R143 IonicContact OE2-NH1 2.67Å; E40-R143 IonicContact OE2-NH2 2.77Å; K141-R143 HydrophobicContact CB-CG 4.04Å; K141-R143 PolarHBondContact O-N 3.26Å
144D96.9Very high95Very high61 Ų6150.4 Ų50.433%0.32623%0.234SC..G310 helixtrans-91.3-0.9-178.9-60.4-28000112.4R131 I140 K141 A142R131-D144 PolarHBondContact NH2-O 3.45Å; I140-D144 HydrophobicContact CD1-CB 4.23Å; K141-D144 PolarHBondContact O-N 2.84Å; A142-D144 PolarHBondContact O-N 3.25Å
145I98Very high95Very high0 Ų047.6 Ų47.60%024%0.235CC..  trans-76.6136.1173.6-66.1175.6000108.7N39 V129 I140 A142 D149 V151 P160 V223N39-I145 VanDerWaalsContact CB-O 3.26Å; N39-I145 WeakPolarHBondContact CB-O 3.32Å; V129-I145 HydrophobicContact CG1-CD1 4.3Å; V129-I145 HydrophobicContact CG1-CG1 4.03Å; I140-I145 HydrophobicContact CD1-CG1 3.99Å; I140-I145 HydrophobicContact CG1-CG1 4.27Å; A142-I145 VanDerWaalsContact O-CB 3.32Å; A142-I145 WeakPolarHBondContact O-CB 3.18Å; A142-I145 PolarHBondContact O-N 2.8Å; A142-I145 VanDerWaalsContact O-N 3.12Å; I145-D149 HydrophobicContact CG2-CB 4.35Å; I145-V151 HydrophobicContact CG2-CG1 4.44Å; I145-P160 HydrophobicContact CD1-CB 3.77Å; I145-P160 HydrophobicContact CD1-CG 3.74Å; I145-V223 HydrophobicContact CG2-CG1 4.36Å; I145-V223 HydrophobicContact CG2-CG2 3.64Å
146V97.9Very high95Very high0 Ų040.9 Ų40.90%022%0.224CC..  trans-127.1156.6-177.7-64.20000111.8L24 V29 N32 L33 G148 D149L24-V146 HydrophobicContact CD1-CG2 3.93Å; V29-V146 HydrophobicContact CG1-CG2 4.41Å; N32-V146 HydrophobicContact CB-CB 3.93Å; N32-V146 HydrophobicContact CB-CG2 3.8Å; L33-V146 HydrophobicContact CB-CG1 3.92Å; L33-V146 HydrophobicContact CD1-CG1 3.7Å; L33-V146 HydrophobicContact CG-CG1 4.44Å; V146-G148 PolarHBondContact O-N 3Å; V146-D149 PolarHBondContact N-OD2 2.93Å; V146-D149 VanDerWaalsContact N-OD2 3.12Å; V146-D149 WeakPolarHBondContact O-CB 3.37Å; V146-D149 PolarHBondContact O-N 2.95Å
147P98.3Very high95.1Very high3 Ų339.8 Ų39.82%0.01921%0.209CC..THydrogen-bonded Turntrans-53.4131173-27.937.4000111.8F16 N32 Y36 T226F16-P147 HydrophobicContact CE1-CB 3.73Å; F16-P147 HydrophobicContact CZ-CB 3.97Å; N32-P147 PolarHBondContact ND2-O 3.19Å; Y36-P147 HydrophobicContact CD1-CG 4.15Å; Y36-P147 HydrophobicContact CD2-CB 3.96Å; Y36-P147 HydrophobicContact CD2-CG 3.69Å; Y36-P147 HydrophobicContact CE2-CB 3.94Å; Y36-P147 HydrophobicContact CE2-CG 4.17Å; Y36-P147 HydrophobicContact CG-CB 4.37Å; Y36-P147 HydrophobicContact CG-CG 3.69Å; P147-T226 WeakPolarHBondContact CD-OG1 3.45Å; P147-T226 HydrophobicContact CG-CG2 4.08Å; P147-T226 WeakPolarHBondContact CG-OG1 3.49Å
148G96.8Very high95.1Very high0 Ų040.8 Ų40.80%021%0.208CC..THydrogen-bonded Turntrans95.1-12.8-173.900000115.7L24 V146 V223L24-G148 WeakPolarHBondContact CG-O 3.39Å; V146-G148 PolarHBondContact O-N 3Å; G148-V223 PolarHBondContact N-O 3.46Å
149D98.1Very high95.3Very high0 Ų039.8 Ų39.80%020%0.204CC..  trans-60.1141.7172.5-93.2-33.8000110.2L24 V129 R131 I145 V146 I222 V223L24-D149 HydrophobicContact CD1-CB 4.47Å; V129-D149 HydrophobicContact CG1-CB 4.25Å; R131-D149 IonicContact CZ-OD1 3.27Å; R131-D149 IonicContact CZ-OD2 3.02Å; R131-D149 IonicContact NE-OD1 3.99Å; R131-D149 PolarHBondContact NE-OD1 2.97Å; R131-D149 VanDerWaalsContact NE-OD1 3.15Å; R131-D149 IonicContact NE-OD2 2.77Å; R131-D149 IonicContact NH2-OD1 3.54Å; R131-D149 IonicContact NH2-OD2 2.85Å; R131-D149 PolarHBondContact NH2-OD2 3.11Å; I145-D149 HydrophobicContact CG2-CB 4.35Å; V146-D149 PolarHBondContact N-OD2 2.93Å; V146-D149 VanDerWaalsContact N-OD2 3.12Å; V146-D149 WeakPolarHBondContact O-CB 3.37Å; V146-D149 PolarHBondContact O-N 2.95Å; D149-I222 WeakPolarHBondContact O-CA 3.42Å; D149-V223 HydrophobicContact CB-CG2 4.1Å; D149-V223 PolarHBondContact O-N 2.84Å
150I98.3Very high95.4Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-89.6119.3171.4-59-59.9000107.8L13 V18 V129 Y130 L166 L220 G221 I222L13-I150 HydrophobicContact CD2-CD1 3.95Å; V18-I150 HydrophobicContact CG1-CD1 4.18Å; V18-I150 HydrophobicContact CG2-CD1 4.48Å; V18-I150 HydrophobicContact CG2-CG1 4.14Å; V129-I150 CarbonylContact C-O 3.55Å; V129-I150 WeakPolarHBondContact CA-O 3.46Å; Y130-I150 HydrophobicContact CD2-CG2 4.27Å; Y130-I150 PolarHBondContact N-O 2.9Å; I150-L166 HydrophobicContact CD1-CD1 3.78Å; I150-L220 HydrophobicContact CG2-CD1 4.06Å; I150-L220 HydrophobicContact CG2-CD2 3.57Å; I150-L220 HydrophobicContact CG2-CG 3.79Å; I150-G221 CarbonylContact C-O 3.29Å; I150-G221 WeakPolarHBondContact CA-O 3.41Å; I150-I222 HydrophobicContact CD1-CB 3.99Å; I150-I222 HydrophobicContact CD1-CD1 4.3Å; I150-I222 HydrophobicContact CD1-CG1 4.14Å
151V97.7Very high95.5Very high2 Ų230.2 Ų30.21%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-114.9147.1-172.4-73.80000111.4K128 V129 I145 I163 L220 G221 V223K128-V151 VanDerWaalsContact O-CA 3.29Å; K128-V151 WeakPolarHBondContact O-CA 3.37Å; V129-V151 HydrophobicContact CG1-CG1 3.83Å; I145-V151 HydrophobicContact CG2-CG1 4.44Å; V151-I163 HydrophobicContact CB-CD1 4.36Å; V151-I163 HydrophobicContact CG2-CB 4.29Å; V151-I163 HydrophobicContact CG2-CD1 3.54Å; V151-I163 HydrophobicContact CG2-CG1 3.66Å; V151-I163 HydrophobicContact CG2-CG2 3.6Å; V151-L220 WeakPolarHBondContact O-CA 3.31Å; V151-G221 VanDerWaalsContact CG2-O 3.31Å; V151-G221 WeakPolarHBondContact CG2-O 3.11Å; V151-G221 PolarHBondContact N-O 3Å; V151-G221 PolarHBondContact O-N 3.29Å; V151-V223 HydrophobicContact CB-CG2 4.49Å; V151-V223 HydrophobicContact CG1-CG2 3.56Å; V151-V223 HydrophobicContact CG2-CG2 4.08Å
152E97.8Very high95.6Very high21 Ų2125 Ų2510%0.09814%0.144CC..EExtended strand (participates in β ladder)trans-114.4131.3173.4-170.4-175.592.100110K128 Y130 V137 K218K128-E152 HydrophobicContact CB-CB 4.34Å; K128-E152 WeakPolarHBondContact CB-O 3.38Å; K128-E152 WeakPolarHBondContact CE-O 3.4Å; K128-E152 PolarHBondContact O-N 2.9Å; Y130-E152 HydrophobicContact CE2-CB 4.1Å; Y130-E152 PolarHBondContact OH-OE2 3.4Å; V137-E152 HydrophobicContact CG2-CB 4.41Å; E152-K218 WeakPolarHBondContact OE1-CE 3.46Å; E152-K218 IonicContact OE1-NZ 2.92Å; E152-K218 PolarHBondContact OE1-NZ 2.97Å; E152-K218 WeakPolarHBondContact OE2-CE 3.47Å; E152-K218 IonicContact OE2-NZ 3.95Å; E152-K218 PolarHBondContact OE2-NZ 2.85Å
153V96.4Very high95.7Very high6 Ų624.9 Ų24.94%0.03614%0.143CC..EExtended strand (participates in β ladder)trans-126.3145.9172.7-620000110.4L208 I214 K218 A219V153-L208 HydrophobicContact CG2-CD1 3.55Å; V153-I214 HydrophobicContact CB-CD1 4.27Å; V153-I214 HydrophobicContact CB-CG1 3.93Å; V153-I214 HydrophobicContact CG2-CD1 3.91Å; V153-I214 HydrophobicContact CG2-CG1 4.03Å; V153-K218 WeakPolarHBondContact O-CA 3.48Å; V153-A219 HydrophobicContact CG2-CB 4.32Å; V153-A219 PolarHBondContact N-O 2.69Å; V153-A219 PolarHBondContact O-N 2.9Å
154A92.2Very high95.8Very high21 Ų2119.6 Ų19.617%0.17412%0.123CC..EExtended strand (participates in β ladder)trans-140.7168.8178.900000110.4G156 D157 I214 G217 K218A154-G156 PolarHBondContact O-N 3.09Å; A154-D157 PolarHBondContact N-OD2 2.76Å; A154-D157 VanDerWaalsContact O-CB 3.23Å; A154-D157 WeakPolarHBondContact O-CB 3.44Å; A154-D157 PolarHBondContact O-N 3.19Å; A154-I214 VanDerWaalsContact O-CB 3.32Å; A154-I214 WeakPolarHBondContact O-CB 3.32Å; A154-G217 CarbonylContact C-O 3.57Å; A154-G217 WeakPolarHBondContact CA-O 3.47Å; A154-K218 HydrophobicContact CB-CB 4.48Å; A154-K218 HydrophobicContact CB-CG 4.23Å
155V90.6Very high95.9Very high96 Ų9616.7 Ų16.758%0.58211%0.107SC*.THydrogen-bonded Turntrans-46.6130.6177.761.40000112.7D157 I214 A215 G217V155-D157 VanDerWaalsContact C-N 3.29Å; V155-D157 PolarHBondContact O-N 2.92Å; V155-I214 WeakPolarHBondContact CA-O 3.21Å; V155-A215 WeakPolarHBondContact CG2-O 3.21Å; V155-G217 PolarHBondContact N-O 2.89Å
156G84.8Confident95.8Very high66 Ų6617.2 Ų17.268%0.6811%0.11SC*.THydrogen-bonded Turntrans85.3-13-177.400000115A154 I214A154-G156 PolarHBondContact O-N 3.09Å; G156-I214 PolarHBondContact N-O 3.42Å
157D90.1Very high95.6Very high47 Ų4718.1 Ų18.125%0.25112%0.118SC..PPolyproline II helixtrans-72.1141.6174.6-65.7-34.7000111K128 A154 V155 N213 I214K128-D157 WeakPolarHBondContact CE-OD2 3.43Å; K128-D157 IonicContact NZ-OD1 3.75Å; K128-D157 IonicContact NZ-OD2 3.13Å; K128-D157 PolarHBondContact NZ-OD2 3.44Å; A154-D157 PolarHBondContact N-OD2 2.76Å; A154-D157 VanDerWaalsContact O-CB 3.23Å; A154-D157 WeakPolarHBondContact O-CB 3.44Å; A154-D157 PolarHBondContact O-N 3.19Å; V155-D157 VanDerWaalsContact C-N 3.29Å; V155-D157 PolarHBondContact O-N 2.92Å; D157-N213 WeakPolarHBondContact O-CA 3.41Å; D157-I214 PolarHBondContact O-N 2.99Å
158K93Very high95.2Very high77 Ų7720.2 Ų20.234%0.33513%0.128SC..BIsolated β-bridgetrans-88.1132.4164.2-156.6-176.1-72.3173.30108.8E121 Y122 P124 G211 T212E121-K158 PolarHBondContact O-NZ 3.28Å; Y122-K158 WeakPolarHBondContact O-CD 3.45Å; P124-K158 HydrophobicContact CB-CB 4.24Å; K158-G211 WeakPolarHBondContact CG-O 3.15Å; K158-T212 CarbonylContact C-O 3.53Å; K158-T212 WeakPolarHBondContact CA-O 3.19Å; K158-T212 WeakPolarHBondContact CG-O 3.42Å
159V97.2Very high94.8Very high0 Ų026.1 Ų26.10%015%0.154CC..PPolyproline II helixtrans-70.8123.8-175.2-179.80000108.7A161 I163 L208 F209 S210 G211 T212 I214V159-A161 VanDerWaalsContact CG1-O 3.24Å; V159-A161 WeakPolarHBondContact CG1-O 3.38Å; V159-I163 HydrophobicContact CG1-CD1 3.76Å; V159-L208 HydrophobicContact CG1-CB 3.78Å; V159-L208 HydrophobicContact CG2-CB 4.23Å; V159-F209 VanDerWaalsContact CB-O 3.26Å; V159-F209 WeakPolarHBondContact CB-O 3.41Å; V159-F209 VanDerWaalsContact CG1-O 3.3Å; V159-F209 WeakPolarHBondContact CG1-O 3.46Å; V159-S210 WeakPolarHBondContact O-CA 3.39Å; V159-G211 PolarHBondContact O-N 3.35Å; V159-T212 WeakPolarHBondContact CB-O 3.34Å; V159-T212 WeakPolarHBondContact CG2-O 3.49Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.4Å; V159-T212 PolarHBondContact N-O 3.25Å; V159-I214 HydrophobicContact CG2-CD1 3.8Å; V159-I214 HydrophobicContact CG2-CG1 4.39Å
160P96.6Very high94.1Very high6 Ų627.9 Ų27.94%0.03917%0.166CC..  trans-86.6-16.5-168.632.8-37.2000115.2N39 P124 A142 I145 I163 S210N39-P160 PolarHBondContact ND2-O 3.28Å; P124-P160 HydrophobicContact CG-CB 3.83Å; A142-P160 HydrophobicContact CB-CB 4.16Å; I145-P160 HydrophobicContact CD1-CB 3.77Å; I145-P160 HydrophobicContact CD1-CG 3.74Å; P160-I163 HydrophobicContact CG-CD1 4.35Å; P160-S210 PolarHBondContact O-OG 3Å
161A97.4Very high93Very high0 Ų030.9 Ų30.90%018%0.184CC..SBendtrans-158.5172.9-177.100000109.1V159 I163 S210 V223 T226V159-A161 VanDerWaalsContact CG1-O 3.24Å; V159-A161 WeakPolarHBondContact CG1-O 3.38Å; A161-I163 WeakPolarHBondContact O-CD1 3.38Å; A161-I163 WeakPolarHBondContact O-CG1 3.38Å; A161-I163 PolarHBondContact O-N 3.38Å; A161-S210 PolarHBondContact O-N 2.79Å; A161-V223 HydrophobicContact CB-CG1 3.78Å; A161-V223 HydrophobicContact CB-CG2 4.48Å; A161-T226 HydrophobicContact CB-CG2 4.06Å
162D98.1Very high92.2Very high3 Ų331.5 Ų31.52%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-78.5121.2172.4-74.83.5000109.7L208 F209 S210 A224 T225 T230 E231D162-L208 CarbonylContact C-O 3.44Å; D162-L208 WeakPolarHBondContact CA-O 3.31Å; D162-F209 VanDerWaalsContact OD1-CA 3.29Å; D162-F209 WeakPolarHBondContact OD1-CA 3.41Å; D162-S210 PolarHBondContact OD1-N 3.38Å; D162-A224 PolarHBondContact O-N 3.45Å; D162-T225 WeakPolarHBondContact CB-OG1 3.32Å; D162-T225 PolarHBondContact N-O 2.76Å; D162-T225 PolarHBondContact O-N 2.99Å; D162-T230 HydrophobicContact CB-CG2 4.19Å; D162-T230 VanDerWaalsContact OD2-CA 3.22Å; D162-T230 WeakPolarHBondContact OD2-CA 3.36Å; D162-E231 PolarHBondContact OD2-N 3.37Å
163I98.4Very high91.7Very high1 Ų130.5 Ų30.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-127.1130.5-165.1-66153.7000109.7V151 V159 P160 A161 M207 L208 I222 V223V151-I163 HydrophobicContact CB-CD1 4.36Å; V151-I163 HydrophobicContact CG2-CB 4.29Å; V151-I163 HydrophobicContact CG2-CD1 3.54Å; V151-I163 HydrophobicContact CG2-CG1 3.66Å; V151-I163 HydrophobicContact CG2-CG2 3.6Å; V159-I163 HydrophobicContact CG1-CD1 3.76Å; P160-I163 HydrophobicContact CG-CD1 4.35Å; A161-I163 WeakPolarHBondContact O-CD1 3.38Å; A161-I163 WeakPolarHBondContact O-CG1 3.38Å; A161-I163 PolarHBondContact O-N 3.38Å; I163-M207 CarbonylContact O-C 3.59Å; I163-M207 VanDerWaalsContact O-CA 3.32Å; I163-M207 WeakPolarHBondContact O-CA 3.22Å; I163-L208 HydrophobicContact CB-CB 4.21Å; I163-L208 HydrophobicContact CG2-CD1 4.4Å; I163-L208 PolarHBondContact N-O 3.35Å; I163-L208 PolarHBondContact O-N 3.4Å; I163-I222 CarbonylContact C-O 3.5Å; I163-I222 WeakPolarHBondContact CA-O 3.34Å; I163-V223 HydrophobicContact CG1-CG2 4.16Å
164R98.3Very high91.2Very high1 Ų131.8 Ų31.80%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-83.3121.2166.7177.76416988.5-2.1109.1A4 K7 L166 T191 N206 M207 G221 I222A4-R164 HydrophobicContact CB-CB 4.2Å; A4-R164 VanDerWaalsContact O-CD 3.29Å; A4-R164 WeakPolarHBondContact O-CD 3.31Å; A4-R164 PolarHBondContact O-NE 3.47Å; A4-R164 VanDerWaalsContact O-NE 3.14Å; K7-R164 PolarHBondContact O-NE 3.36Å; K7-R164 PolarHBondContact O-NH2 3.46Å; R164-L166 PolarHBondContact O-N 3.33Å; R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.2Å; R164-T191 PolarHBondContact NH2-O 2.78Å; R164-N206 PolarHBondContact NE-ND2 3.1Å; R164-N206 PolarHBondContact NH2-ND2 3.26Å; R164-M207 HydrophobicContact CB-SD 4.03Å; R164-G221 CarbonylContact O-C 3.57Å; R164-G221 WeakPolarHBondContact O-CA 3.46Å; R164-I222 HydrophobicContact CB-CG2 3.89Å; R164-I222 HydrophobicContact CG-CG2 4.42Å; R164-I222 PolarHBondContact N-O 2.8Å; R164-I222 PolarHBondContact O-N 3.25Å
165I97.7Very high91Very high0 Ų030.8 Ų30.80%018%0.18CC..EExtended strand (participates in β ladder)trans-68.7129.2-179.4-56.7169.4000109I168 L173 K189 T191 N206 L208 A219I165-I168 HydrophobicContact CG2-CG1 3.91Å; I165-L173 HydrophobicContact CD1-CD2 3.91Å; I165-K189 HydrophobicContact CD1-CB 3.48Å; I165-K189 VanDerWaalsContact CD1-CB 3.48Å; I165-K189 HydrophobicContact CD1-CD 4.36Å; I165-K189 HydrophobicContact CD1-CG 3.99Å; I165-T191 HydrophobicContact CG2-CG2 3.98Å; I165-N206 WeakPolarHBondContact CG1-O 3.31Å; I165-N206 PolarHBondContact N-O 3.44Å; I165-L208 HydrophobicContact CD1-CD2 3.82Å; I165-L208 HydrophobicContact CD1-CG 3.93Å; I165-L208 HydrophobicContact CG1-CD1 4.13Å; I165-L208 HydrophobicContact CG1-CD2 4.19Å; I165-L208 HydrophobicContact CG1-CG 3.72Å; I165-A219 HydrophobicContact CG2-CB 4.36Å
166L95.4Very high90.9Very high12 Ų1228 Ų286%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-98.6-49.8177-66.1178.8000110.8T9 L13 E20 I150 R164 T191 L220 I222T9-L166 HydrophobicContact CG2-CD2 3.8Å; L13-L166 HydrophobicContact CD1-CD2 4.45Å; L13-L166 HydrophobicContact CD2-CD1 3.85Å; L13-L166 HydrophobicContact CG-CD1 4.4Å; L13-L166 HydrophobicContact CG-CD2 4.22Å; E20-L166 HydrophobicContact CG-CD1 4.05Å; I150-L166 HydrophobicContact CD1-CD1 3.78Å; R164-L166 PolarHBondContact O-N 3.33Å; L166-T191 VanDerWaalsContact O-CG2 3.3Å; L166-T191 WeakPolarHBondContact O-CG2 3.45Å; L166-L220 HydrophobicContact CD1-CD2 4.43Å; L166-L220 PolarHBondContact N-O 3.23Å; L166-I222 HydrophobicContact CD1-CB 4.02Å; L166-I222 HydrophobicContact CD1-CG2 4.28Å; L166-I222 HydrophobicContact CD2-CB 4.48Å; L166-I222 HydrophobicContact CD2-CG2 3.83Å; L166-I222 HydrophobicContact CG-CB 4.3Å; L166-I222 HydrophobicContact CG-CG2 4.08Å
167A93.8Very high91Very high19 Ų1924.9 Ų24.916%0.15713%0.129CC..EExtended strand (participates in β ladder)trans-145.5130.3-176.900000111K169 A219 L220A167-K169 HydrophobicContact CB-CD 4.49Å; A167-A219 WeakPolarHBondContact O-CA 3.46Å; A167-L220 PolarHBondContact N-O 3Å; A167-L220 VanDerWaalsContact N-O 3.08Å; A167-L220 PolarHBondContact O-N 3.38Å
168I91.6Very high90.5Very high46 Ų4624.2 Ų24.224%0.23613%0.128CC..EExtended strand (participates in β ladder)trans-91.2124.9170.5-55.8174.6000107.2I165 S170 L173 K189 T191 A219I165-I168 HydrophobicContact CG2-CG1 3.91Å; I168-S170 WeakPolarHBondContact CG2-O 3.45Å; I168-L173 HydrophobicContact CD1-CB 4.05Å; I168-L173 HydrophobicContact CG1-CB 4.29Å; I168-L173 HydrophobicContact CG2-CB 3.88Å; I168-K189 VanDerWaalsContact CD1-O 3.29Å; I168-K189 WeakPolarHBondContact CD1-O 3.48Å; I168-T191 HydrophobicContact CG1-CG2 4.22Å; I168-A219 HydrophobicContact CG1-CB 4.43Å
169K87.1Confident90Very high124 Ų12421.1 Ų21.154%0.53912%0.115SC..  trans-96-24.6-175.9-56.6-58.2-178.1-171.10112.4E20 A167 K218E20-K169 IonicContact OE1-NZ 3.7Å; A167-K169 HydrophobicContact CB-CD 4.49Å; K169-K218 HydrophobicContact CB-CG 4.43Å; K169-K218 PolarHBondContact N-O 3.33Å
170S83.4Confident89.2Confident37 Ų3721.2 Ų21.226%0.25912%0.116SC..SBendtrans-82.8173.1165.751.80000110.8I168 T172 G217 K218I168-S170 WeakPolarHBondContact CG2-O 3.45Å; S170-T172 PolarHBondContact OG-O 2.89Å; S170-G217 WeakPolarHBondContact OG-CA 3.42Å; S170-K218 PolarHBondContact N-O 3.19Å; S170-K218 PolarHBondContact OG-N 2.73Å; S170-K218 PolarHBondContact OG-O 3.41Å
171T76.7Confident88.1Confident63 Ų6321.6 Ų21.639%0.38712%0.118SC..SBendtrans-63.2-43.5173.4-41.30000112.3E486 S581T171-E486 WeakPolarHBondContact CB-OE1 3.46Å; T171-E486 WeakPolarHBondContact CB-OE2 3.38Å; T171-E486 HydrophobicContact CG2-CG 3.93Å; T171-E486 WeakPolarHBondContact CG2-OE1 3.3Å; T171-E486 PolarHBondContact OG1-OE1 3.03Å; T171-S581 VanDerWaalsContact CG2-CB 3.43Å
172T80.6Confident86.8Confident16 Ų1622 Ų2210%0.09812%0.122CC..  trans-132.9149.2176.360.50000110.8S170 G217 E486 F487S170-T172 PolarHBondContact OG-O 2.89Å; T172-G217 WeakPolarHBondContact O-CA 3.46Å; T172-E486 PolarHBondContact OG1-OE2 3.29Å; T172-F487 WeakPolarHBondContact CG2-O 3.48Å
173L86.8Confident85.4Confident0 Ų025 Ų250%014%0.136CC..  trans-112.8123.8168.4-174.272.1000108.2I165 I168 V175 I188 K189 L208 I214 A219I165-L173 HydrophobicContact CD1-CD2 3.91Å; I168-L173 HydrophobicContact CD1-CB 4.05Å; I168-L173 HydrophobicContact CG1-CB 4.29Å; I168-L173 HydrophobicContact CG2-CB 3.88Å; L173-V175 HydrophobicContact CD2-CG2 4.41Å; L173-V175 HydrophobicContact CG-CG2 4.29Å; L173-I188 WeakPolarHBondContact O-CA 3.09Å; L173-K189 HydrophobicContact CB-CB 4.37Å; L173-K189 HydrophobicContact CD2-CB 4.03Å; L173-K189 HydrophobicContact CD2-CG 4.37Å; L173-K189 HydrophobicContact CG-CB 4.47Å; L173-K189 PolarHBondContact O-N 2.89Å; L173-L208 HydrophobicContact CD2-CD2 3.91Å; L173-I214 HydrophobicContact CD1-CG2 3.85Å; L173-A219 HydrophobicContact CD1-CB 3.94Å; L173-A219 HydrophobicContact CD2-CB 3.55Å; L173-A219 HydrophobicContact CG-CB 4.3Å
174R86.3Confident83.9Confident32 Ų3227.1 Ų27.112%0.12115%0.151CC..EExtended strand (participates in β ladder)trans-118.1131.8176.8-58.3-169.4-176.9-152.66.2109.6S186 V187 I188 A215 A216 E439R174-S186 WeakPolarHBondContact CD-OG 3.12Å; R174-V187 WeakPolarHBondContact CA-O 3.27Å; R174-I188 HydrophobicContact CG-CG1 4.23Å; R174-A215 HydrophobicContact CB-CB 4.28Å; R174-A215 PolarHBondContact O-N 3.45Å; R174-A216 HydrophobicContact CB-CB 4.09Å; R174-A216 HydrophobicContact CG-CB 4.31Å; R174-A216 PolarHBondContact N-O 3.26Å; R174-A216 PolarHBondContact O-N 2.77Å; R174-A216 VanDerWaalsContact O-N 3.13Å; R174-E439 IonicContact CZ-OE1 2.93Å; R174-E439 IonicContact NH1-OE1 3.21Å; R174-E439 PolarHBondContact NH1-OE1 3.22Å; R174-E439 IonicContact NH1-OE2 3.63Å; R174-E439 PolarHBondContact NH1-OE2 3.5Å
175V88.1Confident82.6Confident0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-125130.1-175.6-173.70000108.4L173 Q177 S186 V187 K189 L208 N213 I214L173-V175 HydrophobicContact CD2-CG2 4.41Å; L173-V175 HydrophobicContact CG-CG2 4.29Å; V175-Q177 HydrophobicContact CB-CG 4.19Å; V175-Q177 HydrophobicContact CG1-CG 3.75Å; V175-Q177 PolarHBondContact O-N 3.31Å; V175-S186 WeakPolarHBondContact O-CA 3.48Å; V175-V187 PolarHBondContact N-O 2.96Å; V175-V187 PolarHBondContact O-N 3.38Å; V175-K189 HydrophobicContact CB-CG 4.39Å; V175-K189 HydrophobicContact CG2-CD 4.47Å; V175-K189 HydrophobicContact CG2-CG 3.58Å; V175-L208 HydrophobicContact CG2-CD2 3.47Å; V175-L208 VanDerWaalsContact CG2-CD2 3.47Å; V175-N213 WeakPolarHBondContact CA-O 3.3Å; V175-N213 WeakPolarHBondContact CG1-O 3.41Å; V175-I214 HydrophobicContact CG1-CD1 4.44Å; V175-I214 HydrophobicContact CG2-CD1 3.93Å
176D86.8Confident81.7Confident38 Ų3829.9 Ų29.920%0.20317%0.169CC..EExtended strand (participates in β ladder)trans-83.2112.5166.8175.39.5000108.3S178 T212 N213D176-S178 WeakPolarHBondContact OD1-CB 3.3Å; D176-S178 PolarHBondContact OD1-N 2.92Å; D176-S178 PolarHBondContact OD1-OG 3.47Å; D176-S178 PolarHBondContact OD2-OG 3.48Å; D176-T212 WeakPolarHBondContact O-CB 3.45Å; D176-N213 VanDerWaalsContact CB-OD1 3.28Å; D176-N213 WeakPolarHBondContact CB-OD1 3.46Å; D176-N213 PolarHBondContact N-O 3.23Å; D176-N213 PolarHBondContact O-N 2.95Å; D176-N213 PolarHBondContact OD2-ND2 3.4Å
177Q87.1Confident81Confident1 Ų130.7 Ų30.71%0.00517%0.174CC..  trans-109.416.4-179-56.1-173.6117.700112.1V175 I179 L180 T181 K189 F209 T212V175-Q177 HydrophobicContact CB-CG 4.19Å; V175-Q177 HydrophobicContact CG1-CG 3.75Å; V175-Q177 PolarHBondContact O-N 3.31Å; Q177-I179 PolarHBondContact O-N 2.98Å; Q177-L180 PolarHBondContact O-N 3.34Å; Q177-T181 HydrophobicContact CB-CG2 4.07Å; Q177-T181 PolarHBondContact O-N 3.43Å; Q177-T181 PolarHBondContact O-OG1 3.09Å; Q177-K189 VanDerWaalsContact OE1-CE 3.26Å; Q177-F209 VanDerWaalsContact OE1-CD2 3.23Å; Q177-F209 VanDerWaalsContact OE1-CE2 3.29Å; Q177-T212 HydrophobicContact CB-CG2 4.3Å; Q177-T212 HydrophobicContact CG-CG2 4.26Å
178S79.5Confident80.5Confident32 Ų3231.1 Ų31.122%0.22417%0.174CC..Hα-helixtrans-50.2-35.1-175.849.50000113.4D176 L180 G182 E183D176-S178 WeakPolarHBondContact OD1-CB 3.3Å; D176-S178 PolarHBondContact OD1-N 2.92Å; D176-S178 PolarHBondContact OD1-OG 3.47Å; D176-S178 PolarHBondContact OD2-OG 3.48Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.37Å; S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.31Å; S178-G182 PolarHBondContact O-N 3.5Å; S178-E183 WeakPolarHBondContact CA-O 3.21Å
179I82.9Confident80.2Confident13 Ų1329 Ų297%0.06716%0.163CC..Hα-helixtrans-62.2-31.2177.261.6156.9000113.8Y122 Q177 G211 T212 V705 N706Y122-I179 HydrophobicContact CD1-CG2 4.14Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Q177-I179 PolarHBondContact O-N 2.98Å; I179-G211 WeakPolarHBondContact CD1-O 3.45Å; I179-T212 HydrophobicContact CD1-CG2 4.18Å; I179-T212 HydrophobicContact CG1-CG2 4.03Å; I179-V705 HydrophobicContact CB-CB 4.27Å; I179-V705 HydrophobicContact CB-CG2 4.03Å; I179-V705 HydrophobicContact CG2-CG2 4.31Å; I179-V705 VanDerWaalsContact O-CB 3.28Å; I179-V705 WeakPolarHBondContact O-CB 3.3Å; I179-V705 PolarHBondContact O-N 3.44Å; I179-N706 PolarHBondContact O-N 3.08Å; I179-N706 PolarHBondContact O-OD1 3.09Å
180L81.3Confident80.1Confident2 Ų225 Ų251%0.0115%0.146CC..Hα-helixtrans-103-21.9-178.3-68.9178.9000113Q177 S178 F209 T212 E231 I235 N706Q177-L180 PolarHBondContact O-N 3.34Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.37Å; L180-F209 HydrophobicContact CD1-CB 3.31Å; L180-F209 HydrophobicContact CD1-CD1 4.38Å; L180-F209 HydrophobicContact CD1-CD2 3.87Å; L180-F209 HydrophobicContact CD1-CG 3.62Å; L180-T212 HydrophobicContact CD1-CG2 4.13Å; L180-E231 HydrophobicContact CD1-CB 4.2Å; L180-E231 HydrophobicContact CD2-CB 4.48Å; L180-I235 HydrophobicContact CD2-CD1 3.62Å; L180-N706 VanDerWaalsContact O-CB 3.32Å; L180-N706 WeakPolarHBondContact O-CB 3.23Å
181T73.4Confident80.4Confident14 Ų1425.7 Ų25.79%0.08615%0.148CC..Hα-helixtrans-119-9.6-172.768.20000113.8Q177 E183 Q202Q177-T181 HydrophobicContact CB-CG2 4.07Å; Q177-T181 PolarHBondContact O-N 3.43Å; Q177-T181 PolarHBondContact O-OG1 3.09Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 PolarHBondContact OG1-N 3.38Å; T181-Q202 HydrophobicContact CG2-CG 3.81Å
182G68.6Low80.9Confident9 Ų929.4 Ų29.49%0.09316%0.161CC..SBendtrans70.3-15.8-171.300000114.5S178 S184S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.31Å; S178-G182 PolarHBondContact O-N 3.5Å; G182-S184 PolarHBondContact O-N 2.81Å
183E70.1Confident81.1Confident65 Ų6531.2 Ų31.230%0.30417%0.174SC..  trans-83.9115.2-176.7-64.4-172.4178.400111.9S178 T181 V185S178-E183 WeakPolarHBondContact CA-O 3.21Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 PolarHBondContact OG1-N 3.38Å; E183-V185 PolarHBondContact O-N 3.4Å; E183-V185 VanDerWaalsContact O-N 3.17Å
184S67.1Low81Confident46 Ų4632.4 Ų32.432%0.32218%0.181SC..  trans-76.37.4177-36.20000114.5G182G182-S184 PolarHBondContact O-N 2.81Å
185V70.4Confident80.7Confident38 Ų3836.4 Ų36.423%0.2321%0.211CC..SBendtrans-91.8129.7177.1-179.80000108.6E183 V187E183-V185 PolarHBondContact O-N 3.4Å; E183-V185 VanDerWaalsContact O-N 3.17Å; V185-V187 PolarHBondContact O-N 2.91Å
186S79.3Confident80.3Confident21 Ų2138.8 Ų38.815%0.14722%0.224CC..PPolyproline II helixtrans-63.8134.7-179.580.80000111.6R174 V175 E439R174-S186 WeakPolarHBondContact CD-OG 3.12Å; V175-S186 WeakPolarHBondContact O-CA 3.48Å; S186-E439 PolarHBondContact OG-OE1 2.9Å
187V81Confident80Confident29 Ų2941.5 Ų41.518%0.17624%0.244CC..EExtended strand (participates in β ladder)trans-99130.6-178.4-176.30000109.7R174 V175 V185R174-V187 WeakPolarHBondContact CA-O 3.27Å; V175-V187 PolarHBondContact N-O 2.96Å; V175-V187 PolarHBondContact O-N 3.38Å; V185-V187 PolarHBondContact O-N 2.91Å
188I81.9Confident79.6Confident28 Ų2849.1 Ų49.114%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-82.6128.8178.9-57.2169.5000110.2L173 R174 H190 F487 R489L173-I188 WeakPolarHBondContact O-CA 3.09Å; R174-I188 HydrophobicContact CG-CG1 4.23Å; I188-H190 PolarHBondContact O-NE2 2.89Å; I188-F487 HydrophobicContact CD1-CD1 3.38Å; I188-F487 HydrophobicContact CD1-CE1 3.39Å; I188-R489 HydrophobicContact CD1-CG 4.27Å; I188-R489 HydrophobicContact CG2-CG 4.26Å
189K86.3Confident79.4Confident2 Ų248 Ų481%0.00927%0.265CS..PPolyproline II helixtrans-103.3159.2-176.6-61.2-67.2-177.1163.20114.3I165 I168 L173 V175 Q177 K204 K205 M207 L208I165-K189 HydrophobicContact CD1-CB 3.48Å; I165-K189 VanDerWaalsContact CD1-CB 3.48Å; I165-K189 HydrophobicContact CD1-CD 4.36Å; I165-K189 HydrophobicContact CD1-CG 3.99Å; I168-K189 VanDerWaalsContact CD1-O 3.29Å; I168-K189 WeakPolarHBondContact CD1-O 3.48Å; L173-K189 HydrophobicContact CB-CB 4.37Å; L173-K189 HydrophobicContact CD2-CB 4.03Å; L173-K189 HydrophobicContact CD2-CG 4.37Å; L173-K189 HydrophobicContact CG-CB 4.47Å; L173-K189 PolarHBondContact O-N 2.89Å; V175-K189 HydrophobicContact CB-CG 4.39Å; V175-K189 HydrophobicContact CG2-CD 4.47Å; V175-K189 HydrophobicContact CG2-CG 3.58Å; Q177-K189 VanDerWaalsContact OE1-CE 3.26Å; K189-K204 PolarHBondContact NZ-O 2.74Å; K189-K204 VanDerWaalsContact NZ-O 3.16Å; K189-K205 CarbonylContact C-O 3.52Å; K189-K205 WeakPolarHBondContact CA-O 3.44Å; K189-K205 WeakPolarHBondContact CB-O 3.35Å; K189-K205 WeakPolarHBondContact CD-O 3.38Å; K189-M207 WeakPolarHBondContact CD-O 3.4Å; K189-M207 WeakPolarHBondContact CE-O 3.33Å; K189-M207 PolarHBondContact NZ-O 3.21Å; K189-L208 HydrophobicContact CG-CD2 4.19Å
190H84.4Confident79.2Confident38 Ų3849.2 Ų49.218%0.17627%0.273CS..  trans-136.8171.7-174.1-53-64.5000111I188 K205 N206 R489I188-H190 PolarHBondContact O-NE2 2.89Å; H190-K205 PolarHBondContact N-O 3.01Å; H190-N206 WeakPolarHBondContact O-CA 3.26Å; H190-N206 VanDerWaalsContact O-CB 3.3Å; H190-N206 WeakPolarHBondContact O-CB 3.34Å; H190-R489 PolarHBondContact CD2-NH1 3.48Å; H190-R489 WeakPolarHBondContact CE1-CD 3.32Å; H190-R489 PolarHBondContact CE1-NH1 3.48Å; H190-R489 PolarHBondContact ND1-NH1 2.8Å; H190-R489 VanDerWaalsContact ND1-NH1 3.16Å; H190-R489 WeakPolarHBondContact NE2-CD 3.28Å; H190-R489 PolarHBondContact NE2-NH1 2.79Å
191T90.9Very high79.3Confident52 Ų5249.3 Ų49.332%0.31927%0.274SS..SBendtrans-106-17.3176.653.60000113.4R164 I165 L166 I168R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.2Å; R164-T191 PolarHBondContact NH2-O 2.78Å; I165-T191 HydrophobicContact CG2-CG2 3.98Å; L166-T191 VanDerWaalsContact O-CG2 3.3Å; L166-T191 WeakPolarHBondContact O-CG2 3.45Å; I168-T191 HydrophobicContact CG1-CG2 4.22Å
192E85.5Confident79.5Confident141 Ų14150.9 Ų50.966%0.65928%0.28SS*.SBendtrans-63.6148.5-179.6-67173.5173.100112.3N206E192-N206 WeakPolarHBondContact O-CB 3.24Å; E192-N206 PolarHBondContact O-ND2 3.48Å
193P86.4Confident80Confident55 Ų5553.9 Ų53.936%0.35729%0.294SS..  trans-66.1145.8174.929.8-35.7000111.2T8 P195T8-P193 HydrophobicContact CG2-CG 4.32Å; P193-P195 WeakPolarHBondContact O-CD 3.35Å
194V84.1Confident80.8Confident25 Ų2551.9 Ų51.915%0.15228%0.284CS..  trans-96.9107.7172176.30000107.5H5 A6 D196 A199H5-V194 PolarHBondContact O-N 3.18Å; A6-V194 WeakPolarHBondContact CA-O 3.33Å; A6-V194 WeakPolarHBondContact CB-O 3.26Å; V194-D196 PolarHBondContact O-N 3.15Å; V194-D196 VanDerWaalsContact O-N 3.15Å; V194-A199 HydrophobicContact CG1-CB 3.74Å
195P80.6Confident81.7Confident116 Ų11653 Ų5375%0.75328%0.283SS*.  trans-63.7-27.6-166.5-23.333000114.6P193 P197P193-P195 WeakPolarHBondContact O-CD 3.35Å; P195-P197 WeakPolarHBondContact O-CD 3.46Å
196D78.4Confident82.7Confident49 Ų4951.2 Ų51.226%0.26227%0.272SS..  trans-71.6111.7-178.3-167.6-20.2000110.2H5 V194 R198 A199 R656H5-D196 PolarHBondContact NE2-O 2.92Å; V194-D196 PolarHBondContact O-N 3.15Å; V194-D196 VanDerWaalsContact O-N 3.15Å; D196-R198 PolarHBondContact O-N 3.15Å; D196-R198 WeakPolarHBondContact OD1-CA 3.42Å; D196-R198 PolarHBondContact OD1-N 3.03Å; D196-A199 HydrophobicContact CB-CB 4.19Å; D196-A199 VanDerWaalsContact O-CB 3.28Å; D196-A199 WeakPolarHBondContact O-CB 3.47Å; D196-A199 PolarHBondContact O-N 3.15Å; D196-A199 VanDerWaalsContact O-N 3.12Å; D196-R656 IonicContact OD2-CZ 2.79Å; D196-R656 IonicContact OD2-NH1 2.87Å; D196-R656 PolarHBondContact OD2-NH1 2.75Å; D196-R656 IonicContact OD2-NH2 3.57Å
197P80.1Confident83.5Confident96 Ų9650.7 Ų50.762%0.62327%0.267SS*.THydrogen-bonded Turntrans-65.4-23.8179.3-17.832.9000112.4H5 P195H5-P197 PolarHBondContact CE1-O 3.41Å; H5-P197 PolarHBondContact NE2-O 3.41Å; P195-P197 WeakPolarHBondContact O-CD 3.46Å
198R79.5Confident84.3Confident160 Ų16049.4 Ų49.460%0.60426%0.26SS*.THydrogen-bonded Turntrans-99.517.6178.3-64-179.862.9-171-2.8112.3D196 V200 D659D196-R198 PolarHBondContact O-N 3.15Å; D196-R198 WeakPolarHBondContact OD1-CA 3.42Å; D196-R198 PolarHBondContact OD1-N 3.03Å; R198-V200 PolarHBondContact O-N 2.95Å; R198-D659 IonicContact NH2-OD2 3.27Å; R198-D659 PolarHBondContact NH2-OD2 2.98Å; R198-D659 VanDerWaalsContact NH2-OD2 3.14Å
199A75.5Confident85Confident8 Ų848.1 Ų48.17%0.06625%0.253CS..  trans-53.2132.3176.600000111.3V194 D196 D203 K204V194-A199 HydrophobicContact CG1-CB 3.74Å; D196-A199 HydrophobicContact CB-CB 4.19Å; D196-A199 VanDerWaalsContact O-CB 3.28Å; D196-A199 WeakPolarHBondContact O-CB 3.47Å; D196-A199 PolarHBondContact O-N 3.15Å; D196-A199 VanDerWaalsContact O-N 3.12Å; A199-D203 HydrophobicContact CB-CB 4.15Å; A199-K204 HydrophobicContact CB-CG 4.3Å; A199-K204 WeakPolarHBondContact O-CE 3.4Å
200V78.5Confident85.5Confident40 Ų4048.2 Ų48.224%0.24225%0.254CS..  trans-69162.8173.8-68.30000111.9R198 Q202 D203 K204 E680R198-V200 PolarHBondContact O-N 2.95Å; V200-Q202 PolarHBondContact O-N 2.85Å; V200-D203 HydrophobicContact CG2-CB 3.85Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.34Å; V200-D203 PolarHBondContact O-N 3.31Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 3.36Å; V200-K204 VanDerWaalsContact O-N 3.11Å; V200-E680 HydrophobicContact CB-CG 4.04Å; V200-E680 WeakPolarHBondContact CB-OE1 3.19Å; V200-E680 VanDerWaalsContact CG1-CD 3.46Å; V200-E680 HydrophobicContact CG1-CG 3.5Å; V200-E680 VanDerWaalsContact CG1-CG 3.5Å
201N83.8Confident85.8Confident4 Ų446.6 Ų46.62%0.02125%0.248CC..THydrogen-bonded Turntrans-60.7-31.7-174.9-74.9-22.9000113.5D203 K204 F209 E231 E680N201-D203 VanDerWaalsContact C-N 3.3Å; N201-D203 PolarHBondContact O-N 3.11Å; N201-K204 PolarHBondContact O-N 3.39Å; N201-K204 PolarHBondContact OD1-NZ 2.85Å; N201-F209 HydrophobicContact CB-CE2 4.31Å; N201-F209 HydrophobicContact CB-CZ 4.11Å; N201-E231 PolarHBondContact ND2-OE2 3.11Å; N201-E231 PolarHBondContact OD1-OE2 2.57Å; N201-E680 PolarHBondContact N-OE2 3.02Å; N201-E680 VanDerWaalsContact N-OE2 3.09Å
202Q76.7Confident85.9Confident46 Ų4644.2 Ų44.222%0.21523%0.233CC..THydrogen-bonded Turntrans-68.6-29.7174.7-52.580.5-1.200112.2T181 V200 E680T181-Q202 HydrophobicContact CG2-CG 3.81Å; V200-Q202 PolarHBondContact O-N 2.85Å; Q202-E680 PolarHBondContact NE2-OE1 2.84Å; Q202-E680 PolarHBondContact OE1-OE1 2.64Å
203D78.8Confident86.2Confident72 Ų7240.2 Ų40.239%0.38522%0.216SC..THydrogen-bonded Turntrans-85.3-21.1-179.3-76.4-20.5000113A199 V200 N201 K205A199-D203 HydrophobicContact CB-CB 4.15Å; V200-D203 HydrophobicContact CG2-CB 3.85Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.34Å; V200-D203 PolarHBondContact O-N 3.31Å; N201-D203 VanDerWaalsContact C-N 3.3Å; N201-D203 PolarHBondContact O-N 3.11Å; D203-K205 WeakPolarHBondContact O-CG 3.43Å; D203-K205 PolarHBondContact O-N 3.04Å
204K86.8Confident86.5Confident24 Ų2437.7 Ų37.710%0.10420%0.2CC..  trans-70.864.4173.6-67.2175.8-170.5163.60111.5H5 K189 A199 V200 N201 N206 M207 F209 E231H5-K204 HydrophobicContact CB-CB 4.32Å; H5-K204 HydrophobicContact CB-CD 4.31Å; H5-K204 HydrophobicContact CB-CG 3.87Å; K189-K204 PolarHBondContact NZ-O 2.74Å; K189-K204 VanDerWaalsContact NZ-O 3.16Å; A199-K204 HydrophobicContact CB-CG 4.3Å; A199-K204 WeakPolarHBondContact O-CE 3.4Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 3.36Å; V200-K204 VanDerWaalsContact O-N 3.11Å; N201-K204 PolarHBondContact O-N 3.39Å; N201-K204 PolarHBondContact OD1-NZ 2.85Å; K204-N206 PolarHBondContact O-N 3Å; K204-N206 VanDerWaalsContact O-N 3.1Å; K204-M207 HydrophobicContact CB-CB 4.15Å; K204-M207 HydrophobicContact CB-CG 3.97Å; K204-M207 HydrophobicContact CD-CG 4.42Å; K204-M207 PolarHBondContact O-N 3.26Å; K204-F209 HydrophobicContact CB-CZ 3.86Å; K204-F209 HydrophobicContact CD-CE1 4.09Å; K204-F209 HydrophobicContact CD-CZ 3.82Å; K204-F209 HydrophobicContact CG-CZ 4.5Å; K204-E231 IonicContact NZ-OE1 2.76Å
205K86.2Confident86.6Confident69 Ų6938.7 Ų38.730%0.321%0.21SC..THydrogen-bonded Turntrans-72.2-2.9-176-56.1-179.2-179.3171.90113.7K189 H190 D203K189-K205 CarbonylContact C-O 3.52Å; K189-K205 WeakPolarHBondContact CA-O 3.44Å; K189-K205 WeakPolarHBondContact CB-O 3.35Å; K189-K205 WeakPolarHBondContact CD-O 3.38Å; H190-K205 PolarHBondContact N-O 3.01Å; D203-K205 WeakPolarHBondContact O-CG 3.43Å; D203-K205 PolarHBondContact O-N 3.04Å
206N92.8Very high86.9Confident1 Ų134.8 Ų34.81%0.00519%0.188CC..THydrogen-bonded Turntrans-109.57.5177.466.3-7.9000114H5 R164 I165 H190 E192 K204H5-N206 WeakPolarHBondContact CA-OD1 3.22Å; H5-N206 WeakPolarHBondContact CB-OD1 3.46Å; H5-N206 PolarHBondContact O-ND2 3.07Å; R164-N206 PolarHBondContact NE-ND2 3.1Å; R164-N206 PolarHBondContact NH2-ND2 3.26Å; I165-N206 WeakPolarHBondContact CG1-O 3.31Å; I165-N206 PolarHBondContact N-O 3.44Å; H190-N206 WeakPolarHBondContact O-CA 3.26Å; H190-N206 VanDerWaalsContact O-CB 3.3Å; H190-N206 WeakPolarHBondContact O-CB 3.34Å; E192-N206 WeakPolarHBondContact O-CB 3.24Å; E192-N206 PolarHBondContact O-ND2 3.48Å; K204-N206 PolarHBondContact O-N 3Å; K204-N206 VanDerWaalsContact O-N 3.1Å
207M96Very high87.3Confident9 Ų933.3 Ų33.34%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-108.2149.9175.8-63.3-62.8-67.100110.8A4 H5 I163 R164 K189 K204 F209 A224A4-M207 HydrophobicContact CB-CE 4.3Å; A4-M207 HydrophobicContact CB-SD 4.15Å; H5-M207 HydrophobicContact CB-CG 3.73Å; H5-M207 HydrophobicContact CB-SD 4.17Å; I163-M207 CarbonylContact O-C 3.59Å; I163-M207 VanDerWaalsContact O-CA 3.32Å; I163-M207 WeakPolarHBondContact O-CA 3.22Å; R164-M207 HydrophobicContact CB-SD 4.03Å; K189-M207 WeakPolarHBondContact CD-O 3.4Å; K189-M207 WeakPolarHBondContact CE-O 3.33Å; K189-M207 PolarHBondContact NZ-O 3.21Å; K204-M207 HydrophobicContact CB-CB 4.15Å; K204-M207 HydrophobicContact CB-CG 3.97Å; K204-M207 HydrophobicContact CD-CG 4.42Å; K204-M207 PolarHBondContact O-N 3.26Å; M207-F209 HydrophobicContact CB-CE1 3.94Å; M207-F209 HydrophobicContact CB-CE2 4.4Å; M207-F209 HydrophobicContact CB-CZ 3.85Å; M207-A224 HydrophobicContact CE-CB 4.1Å
208L97.3Very high87.9Confident2 Ų232.5 Ų32.51%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-113.2138.5160.2-52.9172.6000107V153 V159 D162 I163 I165 L173 V175 K189 I214V153-L208 HydrophobicContact CG2-CD1 3.55Å; V159-L208 HydrophobicContact CG1-CB 3.78Å; V159-L208 HydrophobicContact CG2-CB 4.23Å; D162-L208 CarbonylContact C-O 3.44Å; D162-L208 WeakPolarHBondContact CA-O 3.31Å; I163-L208 HydrophobicContact CB-CB 4.21Å; I163-L208 HydrophobicContact CG2-CD1 4.4Å; I163-L208 PolarHBondContact N-O 3.35Å; I163-L208 PolarHBondContact O-N 3.4Å; I165-L208 HydrophobicContact CD1-CD2 3.82Å; I165-L208 HydrophobicContact CD1-CG 3.93Å; I165-L208 HydrophobicContact CG1-CD1 4.13Å; I165-L208 HydrophobicContact CG1-CD2 4.19Å; I165-L208 HydrophobicContact CG1-CG 3.72Å; L173-L208 HydrophobicContact CD2-CD2 3.91Å; V175-L208 HydrophobicContact CG2-CD2 3.47Å; V175-L208 VanDerWaalsContact CG2-CD2 3.47Å; K189-L208 HydrophobicContact CG-CD2 4.19Å; L208-I214 HydrophobicContact CD1-CD1 4.48Å; L208-I214 HydrophobicContact CD2-CD1 4.24Å
209F96.2Very high88.7Confident2 Ų225 Ų251%0.00914%0.143CC..  trans-109.8143.4-175.4-57-73000111.2V159 D162 Q177 L180 N201 K204 M207 G211 T212 E231V159-F209 VanDerWaalsContact CB-O 3.26Å; V159-F209 WeakPolarHBondContact CB-O 3.41Å; V159-F209 VanDerWaalsContact CG1-O 3.3Å; V159-F209 WeakPolarHBondContact CG1-O 3.46Å; D162-F209 VanDerWaalsContact OD1-CA 3.29Å; D162-F209 WeakPolarHBondContact OD1-CA 3.41Å; Q177-F209 VanDerWaalsContact OE1-CD2 3.23Å; Q177-F209 VanDerWaalsContact OE1-CE2 3.29Å; L180-F209 HydrophobicContact CD1-CB 3.31Å; L180-F209 HydrophobicContact CD1-CD1 4.38Å; L180-F209 HydrophobicContact CD1-CD2 3.87Å; L180-F209 HydrophobicContact CD1-CG 3.62Å; N201-F209 HydrophobicContact CB-CE2 4.31Å; N201-F209 HydrophobicContact CB-CZ 4.11Å; K204-F209 HydrophobicContact CB-CZ 3.86Å; K204-F209 HydrophobicContact CD-CE1 4.09Å; K204-F209 HydrophobicContact CD-CZ 3.82Å; K204-F209 HydrophobicContact CG-CZ 4.5Å; M207-F209 HydrophobicContact CB-CE1 3.94Å; M207-F209 HydrophobicContact CB-CE2 4.4Å; M207-F209 HydrophobicContact CB-CZ 3.85Å; F209-G211 PolarHBondContact O-N 3.33Å; F209-T212 HydrophobicContact CB-CG2 3.98Å; F209-T212 WeakPolarHBondContact O-CB 3.43Å; F209-T212 PolarHBondContact O-N 3Å; F209-T212 PolarHBondContact O-OG1 2.66Å; F209-E231 HydrophobicContact CD1-CB 4.23Å; F209-E231 HydrophobicContact CD1-CG 3.58Å; F209-E231 HydrophobicContact CE1-CG 3.72Å
210S96.1Very high89.7Confident4 Ų425.1 Ų25.13%0.02814%0.142CC..THydrogen-bonded Turntrans-54138.6178-164.50000111.5V159 P160 A161 D162 T212V159-S210 WeakPolarHBondContact O-CA 3.39Å; P160-S210 PolarHBondContact O-OG 3Å; A161-S210 PolarHBondContact O-N 2.79Å; D162-S210 PolarHBondContact OD1-N 3.38Å; S210-T212 VanDerWaalsContact C-N 3.25Å; S210-T212 PolarHBondContact O-N 2.88Å
211G91.6Very high90.6Very high4 Ų423.3 Ų23.34%0.04113%0.132CC..THydrogen-bonded Turntrans82.7-19.1-178.500000115.5Y122 K158 V159 I179 F209Y122-G211 WeakPolarHBondContact O-CA 3.3Å; K158-G211 WeakPolarHBondContact CG-O 3.15Å; V159-G211 PolarHBondContact O-N 3.35Å; I179-G211 WeakPolarHBondContact CD1-O 3.45Å; F209-G211 PolarHBondContact O-N 3.33Å
212T93.2Very high91.3Very high1 Ų123.2 Ų23.21%0.00613%0.132CC..  trans-68.7163.8173.865.10000111.2K158 V159 D176 Q177 I179 L180 F209 S210K158-T212 CarbonylContact C-O 3.53Å; K158-T212 WeakPolarHBondContact CA-O 3.19Å; K158-T212 WeakPolarHBondContact CG-O 3.42Å; V159-T212 WeakPolarHBondContact CB-O 3.34Å; V159-T212 WeakPolarHBondContact CG2-O 3.49Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.4Å; V159-T212 PolarHBondContact N-O 3.25Å; D176-T212 WeakPolarHBondContact O-CB 3.45Å; Q177-T212 HydrophobicContact CB-CG2 4.3Å; Q177-T212 HydrophobicContact CG-CG2 4.26Å; I179-T212 HydrophobicContact CD1-CG2 4.18Å; I179-T212 HydrophobicContact CG1-CG2 4.03Å; L180-T212 HydrophobicContact CD1-CG2 4.13Å; F209-T212 HydrophobicContact CB-CG2 3.98Å; F209-T212 WeakPolarHBondContact O-CB 3.43Å; F209-T212 PolarHBondContact O-N 3Å; F209-T212 PolarHBondContact O-OG1 2.66Å; S210-T212 VanDerWaalsContact C-N 3.25Å; S210-T212 PolarHBondContact O-N 2.88Å
213N92.3Very high92.3Very high58 Ų5821 Ų2131%0.3112%0.121SC..EExtended strand (participates in β ladder)trans-121.9149.7-179.17665.1000112.2D157 V175 D176 A215D157-N213 WeakPolarHBondContact O-CA 3.41Å; V175-N213 WeakPolarHBondContact CA-O 3.3Å; V175-N213 WeakPolarHBondContact CG1-O 3.41Å; D176-N213 VanDerWaalsContact CB-OD1 3.28Å; D176-N213 WeakPolarHBondContact CB-OD1 3.46Å; D176-N213 PolarHBondContact N-O 3.23Å; D176-N213 PolarHBondContact O-N 2.95Å; D176-N213 PolarHBondContact OD2-ND2 3.4Å; N213-A215 PolarHBondContact O-N 3.4Å
214I92.8Very high93.2Very high2 Ų217.7 Ų17.71%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-85.2108.3176.2-51.7-54.9000109.2V153 A154 V155 G156 D157 V159 L173 V175 L208V153-I214 HydrophobicContact CB-CD1 4.27Å; V153-I214 HydrophobicContact CB-CG1 3.93Å; V153-I214 HydrophobicContact CG2-CD1 3.91Å; V153-I214 HydrophobicContact CG2-CG1 4.03Å; A154-I214 VanDerWaalsContact O-CB 3.32Å; A154-I214 WeakPolarHBondContact O-CB 3.32Å; V155-I214 WeakPolarHBondContact CA-O 3.21Å; G156-I214 PolarHBondContact N-O 3.42Å; D157-I214 PolarHBondContact O-N 2.99Å; V159-I214 HydrophobicContact CG2-CD1 3.8Å; V159-I214 HydrophobicContact CG2-CG1 4.39Å; L173-I214 HydrophobicContact CD1-CG2 3.85Å; V175-I214 HydrophobicContact CG1-CD1 4.44Å; V175-I214 HydrophobicContact CG2-CD1 3.93Å; L208-I214 HydrophobicContact CD1-CD1 4.48Å; L208-I214 HydrophobicContact CD2-CD1 4.24Å
215A85.8Confident93.8Very high45 Ų4517.3 Ų17.337%0.37210%0.104SC..EExtended strand (participates in β ladder)trans-72.5-38.2177.700000112.1V155 R174 N213V155-A215 WeakPolarHBondContact CG2-O 3.21Å; R174-A215 HydrophobicContact CB-CB 4.28Å; R174-A215 PolarHBondContact O-N 3.45Å; N213-A215 PolarHBondContact O-N 3.4Å
216A85.8Confident94.3Very high34 Ų3414.6 Ų14.628%0.2819%0.093SC..EExtended strand (participates in β ladder)trans-157.1151175.800000112.1R174R174-A216 HydrophobicContact CB-CB 4.09Å; R174-A216 HydrophobicContact CG-CB 4.31Å; R174-A216 PolarHBondContact N-O 3.26Å; R174-A216 PolarHBondContact O-N 2.77Å; R174-A216 VanDerWaalsContact O-N 3.13Å
217G87.8Confident94.4Very high19 Ų1914.8 Ų14.820%0.19610%0.095CC..  trans96.1-173.6173.900000114.7A154 V155 S170 T172A154-G217 CarbonylContact C-O 3.57Å; A154-G217 WeakPolarHBondContact CA-O 3.47Å; V155-G217 PolarHBondContact N-O 2.89Å; S170-G217 WeakPolarHBondContact OG-CA 3.42Å; T172-G217 WeakPolarHBondContact O-CA 3.46Å
218K92.1Very high94.2Very high79 Ų7917.3 Ų17.334%0.34311%0.111SC..EExtended strand (participates in β ladder)trans-144.5134.5-178.9-175.7175.2-178.5177.50110E152 V153 A154 K169 S170E152-K218 WeakPolarHBondContact OE1-CE 3.46Å; E152-K218 IonicContact OE1-NZ 2.92Å; E152-K218 PolarHBondContact OE1-NZ 2.97Å; E152-K218 WeakPolarHBondContact OE2-CE 3.47Å; E152-K218 IonicContact OE2-NZ 3.95Å; E152-K218 PolarHBondContact OE2-NZ 2.85Å; V153-K218 WeakPolarHBondContact O-CA 3.48Å; A154-K218 HydrophobicContact CB-CB 4.48Å; A154-K218 HydrophobicContact CB-CG 4.23Å; K169-K218 HydrophobicContact CB-CG 4.43Å; K169-K218 PolarHBondContact N-O 3.33Å; S170-K218 PolarHBondContact N-O 3.19Å; S170-K218 PolarHBondContact OG-N 2.73Å; S170-K218 PolarHBondContact OG-O 3.41Å
219A96.3Very high94Very high1 Ų118.7 Ų18.71%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-145.3157.8-179.800000113V153 I165 A167 I168 L173V153-A219 HydrophobicContact CG2-CB 4.32Å; V153-A219 PolarHBondContact N-O 2.69Å; V153-A219 PolarHBondContact O-N 2.9Å; I165-A219 HydrophobicContact CG2-CB 4.36Å; A167-A219 WeakPolarHBondContact O-CA 3.46Å; I168-A219 HydrophobicContact CG1-CB 4.43Å; L173-A219 HydrophobicContact CD1-CB 3.94Å; L173-A219 HydrophobicContact CD2-CB 3.55Å; L173-A219 HydrophobicContact CG-CB 4.3Å
220L97.3Very high93.9Very high11 Ų1118.7 Ų18.76%0.05813%0.126CC..EExtended strand (participates in β ladder)trans-112.6139.9171.6-161.8106.6000108.6E20 Y130 I150 V151 L166 A167E20-L220 HydrophobicContact CG-CD2 3.33Å; Y130-L220 HydrophobicContact CD2-CD1 3.76Å; Y130-L220 HydrophobicContact CE2-CD1 3.49Å; Y130-L220 VanDerWaalsContact CE2-CD1 3.49Å; I150-L220 HydrophobicContact CG2-CD1 4.06Å; I150-L220 HydrophobicContact CG2-CD2 3.57Å; I150-L220 HydrophobicContact CG2-CG 3.79Å; V151-L220 WeakPolarHBondContact O-CA 3.31Å; L166-L220 HydrophobicContact CD1-CD2 4.43Å; L166-L220 PolarHBondContact N-O 3.23Å; A167-L220 PolarHBondContact N-O 3Å; A167-L220 VanDerWaalsContact N-O 3.08Å; A167-L220 PolarHBondContact O-N 3.38Å
221G97.6Very high93.7Very high3 Ų319.9 Ų19.93%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-148.3171.9-179.900000112.8I150 V151 R164I150-G221 CarbonylContact C-O 3.29Å; I150-G221 WeakPolarHBondContact CA-O 3.41Å; V151-G221 VanDerWaalsContact CG2-O 3.31Å; V151-G221 WeakPolarHBondContact CG2-O 3.11Å; V151-G221 PolarHBondContact N-O 3Å; V151-G221 PolarHBondContact O-N 3.29Å; R164-G221 CarbonylContact O-C 3.57Å; R164-G221 WeakPolarHBondContact O-CA 3.46Å
222I98.3Very high93.6Very high1 Ų119.8 Ų19.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-112.5135.1173.1-175.6169.2000109.8C12 L13 F16 V18 D149 I150 I163 R164 L166 A224C12-I222 HydrophobicContact CB-CG2 4Å; L13-I222 HydrophobicContact CD2-CD1 4.25Å; F16-I222 HydrophobicContact CB-CD1 4.22Å; F16-I222 HydrophobicContact CD2-CD1 3.6Å; F16-I222 HydrophobicContact CD2-CG1 4.27Å; F16-I222 HydrophobicContact CE2-CD1 4.39Å; F16-I222 HydrophobicContact CG-CD1 4.27Å; V18-I222 HydrophobicContact CG1-CD1 3.52Å; D149-I222 WeakPolarHBondContact O-CA 3.42Å; I150-I222 HydrophobicContact CD1-CB 3.99Å; I150-I222 HydrophobicContact CD1-CD1 4.3Å; I150-I222 HydrophobicContact CD1-CG1 4.14Å; I163-I222 CarbonylContact C-O 3.5Å; I163-I222 WeakPolarHBondContact CA-O 3.34Å; R164-I222 HydrophobicContact CB-CG2 3.89Å; R164-I222 HydrophobicContact CG-CG2 4.42Å; R164-I222 PolarHBondContact N-O 2.8Å; R164-I222 PolarHBondContact O-N 3.25Å; L166-I222 HydrophobicContact CD1-CB 4.02Å; L166-I222 HydrophobicContact CD1-CG2 4.28Å; L166-I222 HydrophobicContact CD2-CB 4.48Å; L166-I222 HydrophobicContact CD2-CG2 3.83Å; L166-I222 HydrophobicContact CG-CB 4.3Å; L166-I222 HydrophobicContact CG-CG2 4.08Å; I222-A224 PolarHBondContact O-N 2.93Å
223V98.4Very high93.4Very high0 Ų019.8 Ų19.80%013%0.129CC..EExtended strand (participates in β ladder)trans-69.2121.5178.7-178.80000110I145 G148 D149 V151 A161 I163 T226I145-V223 HydrophobicContact CG2-CG1 4.36Å; I145-V223 HydrophobicContact CG2-CG2 3.64Å; G148-V223 PolarHBondContact N-O 3.46Å; D149-V223 HydrophobicContact CB-CG2 4.1Å; D149-V223 PolarHBondContact O-N 2.84Å; V151-V223 HydrophobicContact CB-CG2 4.49Å; V151-V223 HydrophobicContact CG1-CG2 3.56Å; V151-V223 HydrophobicContact CG2-CG2 4.08Å; A161-V223 HydrophobicContact CB-CG1 3.78Å; A161-V223 HydrophobicContact CB-CG2 4.48Å; I163-V223 HydrophobicContact CG1-CG2 4.16Å; V223-T226 HydrophobicContact CG1-CG2 3.55Å
224A97.6Very high93.3Very high2 Ų220.7 Ų20.72%0.01713%0.131CC..EExtended strand (participates in β ladder)trans-90.5-46.6-179.700000112M1 A4 D162 M207 I222M1-A224 PolarHBondContact N-O 2.78Å; A4-A224 HydrophobicContact CB-CB 3.67Å; D162-A224 PolarHBondContact O-N 3.45Å; M207-A224 HydrophobicContact CE-CB 4.1Å; I222-A224 PolarHBondContact O-N 2.93Å
225T97.8Very high92.9Very high17 Ų1721 Ų2110%0.10413%0.132CC..EExtended strand (participates in β ladder)trans-145.3156.6178.354.50000111.2D162 G229D162-T225 WeakPolarHBondContact CB-OG1 3.32Å; D162-T225 PolarHBondContact N-O 2.76Å; D162-T225 PolarHBondContact O-N 2.99Å; T225-G229 VanDerWaalsContact CB-O 3.23Å; T225-G229 WeakPolarHBondContact CB-O 3.12Å; T225-G229 PolarHBondContact OG1-O 3.11Å
226T97.1Very high93Very high12 Ų1220.3 Ų20.37%0.07412%0.12CC..  trans-138.2161.6-176.150.50000110.5N39 P147 A161 V223 V228 G229N39-T226 HydrophobicContact CB-CG2 3.9Å; N39-T226 VanDerWaalsContact OD1-CA 3.3Å; N39-T226 WeakPolarHBondContact OD1-CA 3.25Å; N39-T226 VanDerWaalsContact OD1-CB 3.23Å; N39-T226 WeakPolarHBondContact OD1-CB 3.29Å; P147-T226 WeakPolarHBondContact CD-OG1 3.45Å; P147-T226 HydrophobicContact CG-CG2 4.08Å; P147-T226 WeakPolarHBondContact CG-OG1 3.49Å; A161-T226 HydrophobicContact CB-CG2 4.06Å; V223-T226 HydrophobicContact CG1-CG2 3.55Å; T226-V228 PolarHBondContact O-N 2.87Å; T226-G229 PolarHBondContact O-N 3.27Å; T226-G229 VanDerWaalsContact O-N 3.11Å
227G94.3Very high93Very high5 Ų521.6 Ų21.65%0.05212%0.122CC..G310 helixtrans54.6-132.9178.300000112.5N39 G229 T230N39-G227 PolarHBondContact OD1-N 3.47Å; G227-G229 PolarHBondContact O-N 3.15Å; G227-G229 VanDerWaalsContact O-N 3.15Å; G227-T230 WeakPolarHBondContact O-CB 3.28Å; G227-T230 WeakPolarHBondContact O-CG2 3.23Å; G227-T230 PolarHBondContact O-N 2.79Å; G227-T230 PolarHBondContact O-OG1 2.93Å
228V92.7Very high92.9Very high62 Ų6223.9 Ų23.938%0.37613%0.128SC..G310 helixtrans-60.5-21.4178.5-63.70000114.3P42 T226 T230 G233 K234P42-V228 HydrophobicContact CG-CG1 4.08Å; T226-V228 PolarHBondContact O-N 2.87Å; V228-T230 PolarHBondContact O-N 3.09Å; V228-G233 CarbonylContact O-C 3.58Å; V228-K234 PolarHBondContact O-N 3.41Å
229G93.4Very high92.3Very high31 Ų3120.1 Ų20.132%0.3211%0.111SC..G310 helixtrans-76.2-5.7178.300000114.8T225 T226 G227T225-G229 VanDerWaalsContact CB-O 3.23Å; T225-G229 WeakPolarHBondContact CB-O 3.12Å; T225-G229 PolarHBondContact OG1-O 3.11Å; T226-G229 PolarHBondContact O-N 3.27Å; T226-G229 VanDerWaalsContact O-N 3.11Å; G227-G229 PolarHBondContact O-N 3.15Å; G227-G229 VanDerWaalsContact O-N 3.15Å
230T94.6Very high91.6Very high2 Ų221.9 Ų21.91%0.01213%0.125CC..SBendtrans-81.7165.8176.261.40000111.8D162 G227 V228 I232 G233 K234D162-T230 HydrophobicContact CB-CG2 4.19Å; D162-T230 VanDerWaalsContact OD2-CA 3.22Å; D162-T230 WeakPolarHBondContact OD2-CA 3.36Å; G227-T230 WeakPolarHBondContact O-CB 3.28Å; G227-T230 WeakPolarHBondContact O-CG2 3.23Å; G227-T230 PolarHBondContact O-N 2.79Å; G227-T230 PolarHBondContact O-OG1 2.93Å; V228-T230 PolarHBondContact O-N 3.09Å; T230-I232 VanDerWaalsContact C-N 3.33Å; T230-I232 PolarHBondContact O-N 3.2Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.37Å; T230-G233 PolarHBondContact O-N 2.78Å; T230-G233 VanDerWaalsContact O-N 3.15Å; T230-G233 PolarHBondContact OG1-N 2.9Å; T230-K234 WeakPolarHBondContact O-CG 3.39Å; T230-K234 PolarHBondContact O-N 2.63Å
231E90.7Very high90.9Very high29 Ų2925.2 Ų25.214%0.13616%0.155CC..Hα-helixtrans-60.5-39.7174.3-64.5-59.5134.100112.4D162 L180 N201 K204 F209 G233 K234 I235D162-E231 PolarHBondContact OD2-N 3.37Å; L180-E231 HydrophobicContact CD1-CB 4.2Å; L180-E231 HydrophobicContact CD2-CB 4.48Å; N201-E231 PolarHBondContact ND2-OE2 3.11Å; N201-E231 PolarHBondContact OD1-OE2 2.57Å; K204-E231 IonicContact NZ-OE1 2.76Å; F209-E231 HydrophobicContact CD1-CB 4.23Å; F209-E231 HydrophobicContact CD1-CG 3.58Å; F209-E231 HydrophobicContact CE1-CG 3.72Å; E231-G233 VanDerWaalsContact C-N 3.34Å; E231-K234 PolarHBondContact O-N 3.25Å; E231-K234 IonicContact OE1-NZ 2.72Å; E231-K234 PolarHBondContact OE1-NZ 3.09Å; E231-I235 WeakPolarHBondContact O-CG1 3.5Å; E231-I235 PolarHBondContact O-N 2.81Å
232I89.7Confident90Very high2 Ų226.2 Ų26.21%0.0116%0.16CC..Hα-helixtrans-69.3-33173.9-164.3170000112L119 T230 I235 R236L119-I232 HydrophobicContact CD2-CD1 3.96Å; L119-I232 HydrophobicContact CD2-CG1 3.84Å; T230-I232 VanDerWaalsContact C-N 3.33Å; T230-I232 PolarHBondContact O-N 3.2Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.37Å; I232-I235 WeakPolarHBondContact O-CB 3.3Å; I232-I235 PolarHBondContact O-N 3.31Å; I232-R236 PolarHBondContact O-N 2.94Å
233G90.1Very high88.9Confident0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-63.5-42.4173.200000113.3V228 T230 E231 I235 R236 D237V228-G233 CarbonylContact O-C 3.58Å; T230-G233 PolarHBondContact O-N 2.78Å; T230-G233 VanDerWaalsContact O-N 3.15Å; T230-G233 PolarHBondContact OG1-N 2.9Å; E231-G233 VanDerWaalsContact C-N 3.34Å; G233-I235 VanDerWaalsContact C-N 3.32Å; G233-I235 PolarHBondContact O-N 2.67Å; G233-R236 WeakPolarHBondContact O-CB 3.12Å; G233-R236 PolarHBondContact O-N 2.51Å; G233-D237 PolarHBondContact O-N 3.44Å
234K88.6Confident87.4Confident78 Ų7839.6 Ų39.634%0.33922%0.223SC..Hα-helixtrans-61.9-39.4173.3-66.9169.6-169171.60112.1V228 T230 E231 D237 Q238V228-K234 PolarHBondContact O-N 3.41Å; T230-K234 WeakPolarHBondContact O-CG 3.39Å; T230-K234 PolarHBondContact O-N 2.63Å; E231-K234 PolarHBondContact O-N 3.25Å; E231-K234 IonicContact OE1-NZ 2.72Å; E231-K234 PolarHBondContact OE1-NZ 3.09Å; K234-D237 PolarHBondContact O-N 2.98Å; K234-Q238 VanDerWaalsContact O-CG 3.3Å; K234-Q238 WeakPolarHBondContact O-CG 3.34Å; K234-Q238 PolarHBondContact O-N 3.25Å
235I85.9Confident86.3Confident7 Ų745.2 Ų45.24%0.03625%0.253CS..Hα-helixtrans-61.6-46.6174.2-71.8170.8000110.2L180 E231 I232 G233 D237 Q238 M239 V705 P709L180-I235 HydrophobicContact CD2-CD1 3.62Å; E231-I235 WeakPolarHBondContact O-CG1 3.5Å; E231-I235 PolarHBondContact O-N 2.81Å; I232-I235 WeakPolarHBondContact O-CB 3.3Å; I232-I235 PolarHBondContact O-N 3.31Å; G233-I235 VanDerWaalsContact C-N 3.32Å; G233-I235 PolarHBondContact O-N 2.67Å; I235-D237 PolarHBondContact O-N 2.74Å; I235-Q238 PolarHBondContact O-N 3.2Å; I235-M239 HydrophobicContact CG2-SD 4.23Å; I235-M239 WeakPolarHBondContact O-CG 3.45Å; I235-M239 PolarHBondContact O-N 2.66Å; I235-V705 HydrophobicContact CD1-CG1 4.39Å; I235-V705 HydrophobicContact CG2-CG1 4.15Å; I235-P709 HydrophobicContact CB-CG 4.38Å; I235-P709 HydrophobicContact CG1-CG 4.44Å; I235-P709 HydrophobicContact CG2-CG 3.78Å
236R86.2Confident85.5Confident31 Ų3150.2 Ų50.212%0.11727%0.273CS..Hα-helixtrans-58.1-47176177.1-90.8175.3-163.8-6.3111.8L41 I116 L119 I232 G233 Q238 M239 A240L41-R236 HydrophobicContact CD1-CB 4.34Å; L41-R236 HydrophobicContact CD1-CG 4.42Å; L41-R236 HydrophobicContact CD2-CB 4.1Å; L41-R236 HydrophobicContact CD2-CG 4.24Å; I116-R236 HydrophobicContact CG2-CG 4.3Å; L119-R236 HydrophobicContact CD1-CB 4.28Å; I232-R236 PolarHBondContact O-N 2.94Å; G233-R236 WeakPolarHBondContact O-CB 3.12Å; G233-R236 PolarHBondContact O-N 2.51Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.16Å; R236-M239 PolarHBondContact O-N 3.12Å; R236-A240 WeakPolarHBondContact O-CB 3.39Å; R236-A240 PolarHBondContact O-N 3.07Å
237D87.4Confident84.9Confident61 Ų6150.5 Ų50.533%0.32628%0.275SS..Hα-helixtrans-66-36.7-178.4-75.4-9000111.8G233 K234 I235 A240 A241G233-D237 PolarHBondContact O-N 3.44Å; K234-D237 PolarHBondContact O-N 2.98Å; I235-D237 PolarHBondContact O-N 2.74Å; D237-A240 PolarHBondContact O-N 3.32Å; D237-A241 VanDerWaalsContact O-CB 3.27Å; D237-A241 WeakPolarHBondContact O-CB 3.22Å; D237-A241 PolarHBondContact O-N 3.21Å
238Q83.9Confident84.3Confident68 Ų6850.7 Ų50.732%0.31828%0.275SS..Hα-helixtrans-63.1-43.5171.9-73173.58.200111.8K234 I235 R236 A241 T242 P709K234-Q238 VanDerWaalsContact O-CG 3.3Å; K234-Q238 WeakPolarHBondContact O-CG 3.34Å; K234-Q238 PolarHBondContact O-N 3.25Å; I235-Q238 PolarHBondContact O-N 3.2Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.16Å; Q238-A241 PolarHBondContact O-N 3.37Å; Q238-T242 PolarHBondContact O-N 2.84Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 2.7Å; Q238-P709 HydrophobicContact CB-CB 4.1Å; Q238-P709 HydrophobicContact CB-CG 4.3Å
239M80.9Confident83.8Confident0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-64-41.2176.1-70.9177.768.300112A115 L119 I235 R236 T242 A708 P709 K712 A730A115-M239 HydrophobicContact CB-CE 3.84Å; L119-M239 HydrophobicContact CD1-CE 4.33Å; L119-M239 HydrophobicContact CD1-SD 3.64Å; I235-M239 HydrophobicContact CG2-SD 4.23Å; I235-M239 WeakPolarHBondContact O-CG 3.45Å; I235-M239 PolarHBondContact O-N 2.66Å; R236-M239 PolarHBondContact O-N 3.12Å; M239-T242 PolarHBondContact O-N 2.85Å; M239-A708 HydrophobicContact CE-CB 3.91Å; M239-A708 HydrophobicContact CG-CB 4.38Å; M239-A708 HydrophobicContact SD-CB 3.43Å; M239-A708 WeakPolarHBondContact SD-CB 3.36Å; M239-P709 HydrophobicContact CG-CG 4.24Å; M239-K712 HydrophobicContact CB-CD 4.35Å; M239-K712 WeakPolarHBondContact O-CD 3.36Å; M239-K712 WeakPolarHBondContact O-CE 3.47Å; M239-K712 PolarHBondContact O-NZ 3.11Å; M239-A730 HydrophobicContact CE-CB 3.83Å
240A81.9Confident83.3Confident37 Ų3749.9 Ų49.931%0.30626%0.259SS..Hα-helixtrans-67.5-36.5178.300000112.1I116 R236 D237 T242I116-A240 HydrophobicContact CD1-CB 4.12Å; R236-A240 WeakPolarHBondContact O-CB 3.39Å; R236-A240 PolarHBondContact O-N 3.07Å; D237-A240 PolarHBondContact O-N 3.32Å; A240-T242 VanDerWaalsContact C-N 3.32Å
241A81.8Confident82.9Confident81 Ų8154.6 Ų54.667%0.66928%0.281SS*.Hα-helixtrans-78.3-13.6178.400000114.1D237 Q238 E243D237-A241 VanDerWaalsContact O-CB 3.27Å; D237-A241 WeakPolarHBondContact O-CB 3.22Å; D237-A241 PolarHBondContact O-N 3.21Å; Q238-A241 PolarHBondContact O-N 3.37Å; A241-E243 PolarHBondContact O-N 2.8Å
242T78.8Confident82.5Confident24 Ų2455 Ų5515%0.14728%0.282CS..  trans-83.1104.1179.5-57.10000109Q238 M239 A240 K712 K713Q238-T242 PolarHBondContact O-N 2.84Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 2.7Å; M239-T242 PolarHBondContact O-N 2.85Å; A240-T242 VanDerWaalsContact C-N 3.32Å; T242-K712 HydrophobicContact CG2-CG 4.28Å; T242-K712 WeakPolarHBondContact O-CE 3.44Å; T242-K712 PolarHBondContact O-NZ 2.64Å; T242-K713 HydrophobicContact CG2-CB 3.82Å; T242-K713 HydrophobicContact CG2-CG 4.15Å
243E75Confident82.2Confident179 Ų17956.7 Ų56.784%0.83629%0.291SS*.PPolyproline II helixtrans-73136.8166-66.7-179.9-179.200108.8A241A241-E243 PolarHBondContact O-N 2.8Å
244Q66.9Low81.8Confident103 Ų10359.4 Ų59.448%0.48131%0.305SS..PPolyproline II helixtrans-94.6119.6179.8-165.8161.911.500108.9E732Q244-E732 VanDerWaalsContact NE2-CD 3.29Å; Q244-E732 PolarHBondContact NE2-OE1 3.11Å
245D75.2Confident81.6Confident121 Ų12159.7 Ų59.765%0.64731%0.308SS*.PPolyproline II helixtrans-68147.3179.6-74.9-36.9000111.4
246K80.4Confident81.4Confident121 Ų12161.2 Ų61.253%0.52632%0.315SS..PPolyproline II helixtrans-61.8146.6171.3-70.4-179.2172.4-176.90110.3Q250 Q251 D254K246-Q250 HydrophobicContact CB-CB 4.21Å; K246-Q251 HydrophobicContact CB-CG 3.98Å; K246-Q251 PolarHBondContact O-NE2 3.39Å; K246-D254 WeakPolarHBondContact CD-OD2 3.43Å; K246-D254 IonicContact NZ-OD2 2.99Å; K246-D254 PolarHBondContact NZ-OD2 3.15Å
247T83.5Confident81.2Confident18 Ų1860 Ų6011%0.1131%0.311CS..PPolyproline II helixtrans-61154.1177.560.80000112.4L249 Q250 Q251 P337 T341T247-L249 PolarHBondContact O-N 3.1Å; T247-Q250 PolarHBondContact O-N 3.35Å; T247-Q250 VanDerWaalsContact OG1-CB 3.31Å; T247-Q250 WeakPolarHBondContact OG1-CB 3.1Å; T247-Q250 VanDerWaalsContact OG1-CD 3.24Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.39Å; T247-Q250 PolarHBondContact OG1-N 2.78Å; T247-Q250 PolarHBondContact OG1-OE1 3.09Å; T247-Q251 WeakPolarHBondContact O-CG 3.46Å; T247-Q251 PolarHBondContact O-N 2.74Å; T247-P337 HydrophobicContact CG2-CB 3.48Å; T247-P337 VanDerWaalsContact CG2-CB 3.48Å; T247-T341 WeakPolarHBondContact CB-OG1 3.46Å; T247-T341 WeakPolarHBondContact CG2-OG1 3.42Å
248P83.4Confident81Confident9 Ų962.2 Ų62.26%0.05832%0.32CS..Hα-helixtrans-54.1-40.1177.6-27.235.7000113K252 I697P248-K252 VanDerWaalsContact O-CG 3.3Å; P248-K252 WeakPolarHBondContact O-CG 3.43Å; P248-K252 PolarHBondContact O-N 3.32Å; P248-K252 VanDerWaalsContact O-N 3.11Å; P248-I697 HydrophobicContact CG-CD1 4Å
249L80.9Confident81Confident9 Ų964 Ų645%0.04733%0.328CS..Hα-helixtrans-66.1-44.4175.5179.663.3000112.4T247 Q251 K252 L253 E340 M757 I761 L828T247-L249 PolarHBondContact O-N 3.1Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 3.21Å; L249-K252 CarbonylContact O-C 3.54Å; L249-K252 PolarHBondContact O-N 3.5Å; L249-K252 VanDerWaalsContact O-N 3.09Å; L249-L253 HydrophobicContact CD1-CD1 4.5Å; L249-L253 HydrophobicContact CD1-CG 4.31Å; L249-L253 HydrophobicContact CG-CD1 4.1Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.14Å; L249-E340 VanDerWaalsContact CB-CD 3.5Å; L249-E340 HydrophobicContact CB-CG 3.94Å; L249-E340 WeakPolarHBondContact CB-OE2 2.81Å; L249-E340 HydrophobicContact CD2-CG 4.11Å; L249-E340 PolarHBondContact N-OE2 3.31Å; L249-M757 HydrophobicContact CD2-CE 3.73Å; L249-M757 HydrophobicContact CD2-SD 4.02Å; L249-I761 HydrophobicContact CD1-CD1 4.02Å; L249-L828 HydrophobicContact CD1-CD1 4.48Å; L249-L828 HydrophobicContact CD1-CD2 4.04Å
250Q82.5Confident81Confident68 Ų6865.1 Ų65.132%0.31833%0.334SS..Hα-helixtrans-60-44.1177.1-77.6167.9-33.300111.6K246 T247 K252 L253 D254K246-Q250 HydrophobicContact CB-CB 4.21Å; T247-Q250 PolarHBondContact O-N 3.35Å; T247-Q250 VanDerWaalsContact OG1-CB 3.31Å; T247-Q250 WeakPolarHBondContact OG1-CB 3.1Å; T247-Q250 VanDerWaalsContact OG1-CD 3.24Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.39Å; T247-Q250 PolarHBondContact OG1-N 2.78Å; T247-Q250 PolarHBondContact OG1-OE1 3.09Å; Q250-K252 PolarHBondContact O-N 2.97Å; Q250-L253 PolarHBondContact O-N 3.3Å; Q250-L253 VanDerWaalsContact O-N 3.12Å; Q250-D254 PolarHBondContact O-N 3.2Å
251Q86Confident81Confident101 Ų10163.6 Ų63.647%0.47232%0.321SS..Hα-helixtrans-58.5-38.2174.8-65.8179.21400111.8K246 T247 L249 E255K246-Q251 HydrophobicContact CB-CG 3.98Å; K246-Q251 PolarHBondContact O-NE2 3.39Å; T247-Q251 WeakPolarHBondContact O-CG 3.46Å; T247-Q251 PolarHBondContact O-N 2.74Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 3.21Å; Q251-E255 WeakPolarHBondContact O-CB 3.38Å; Q251-E255 PolarHBondContact O-N 2.81Å
252K84Confident81.2Confident36 Ų3666.1 Ų66.116%0.15732%0.317CS..Hα-helixtrans-72.8-31.7176.1-68.5-63.6171.5-165.90113.7P248 L249 Q250 E255 F256 L828P248-K252 VanDerWaalsContact O-CG 3.3Å; P248-K252 WeakPolarHBondContact O-CG 3.43Å; P248-K252 PolarHBondContact O-N 3.32Å; P248-K252 VanDerWaalsContact O-N 3.11Å; L249-K252 CarbonylContact O-C 3.54Å; L249-K252 PolarHBondContact O-N 3.5Å; L249-K252 VanDerWaalsContact O-N 3.09Å; Q250-K252 PolarHBondContact O-N 2.97Å; K252-E255 WeakPolarHBondContact CD-OE2 3.44Å; K252-E255 IonicContact NZ-OE2 2.73Å; K252-E255 PolarHBondContact NZ-OE2 3.3Å; K252-F256 WeakPolarHBondContact O-CB 3.24Å; K252-F256 PolarHBondContact O-N 2.94Å; K252-L828 HydrophobicContact CB-CD1 4.14Å; K252-L828 HydrophobicContact CB-CG 4.35Å
253L82.5Confident81.4Confident39 Ų3968.7 Ų68.720%0.20433%0.332CS..Hα-helixtrans-69.7-40.7172.9-69.6171.5000111L249 Q250 F256 G257 L311 I315L249-L253 HydrophobicContact CD1-CD1 4.5Å; L249-L253 HydrophobicContact CD1-CG 4.31Å; L249-L253 HydrophobicContact CG-CD1 4.1Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.14Å; Q250-L253 PolarHBondContact O-N 3.3Å; Q250-L253 VanDerWaalsContact O-N 3.12Å; L253-F256 PolarHBondContact O-N 3.03Å; L253-G257 PolarHBondContact O-N 3.46Å; L253-L311 HydrophobicContact CD2-CD2 3.97Å; L253-I315 HydrophobicContact CD1-CD1 3.69Å; L253-I315 HydrophobicContact CD2-CD1 4.41Å
254D81.9Confident81.7Confident56 Ų5660.5 Ų60.530%0.29929%0.294SS..Hα-helixtrans-63.3-48.8174.1-67.5-9.7000110.6K246 Q250 F256 G257 E258K246-D254 WeakPolarHBondContact CD-OD2 3.43Å; K246-D254 IonicContact NZ-OD2 2.99Å; K246-D254 PolarHBondContact NZ-OD2 3.15Å; Q250-D254 PolarHBondContact O-N 3.2Å; D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 2.97Å; D254-G257 PolarHBondContact O-N 3.01Å; D254-G257 VanDerWaalsContact O-N 3.14Å; D254-E258 PolarHBondContact O-N 3.27Å
255E85Confident82.5Confident84 Ų8458.8 Ų58.839%0.39329%0.294SS..Hα-helixtrans-58.6-42.7175.7-173.4-175.9175.500111.4Q251 K252 E258 Q259Q251-E255 WeakPolarHBondContact O-CB 3.38Å; Q251-E255 PolarHBondContact O-N 2.81Å; K252-E255 WeakPolarHBondContact CD-OE2 3.44Å; K252-E255 IonicContact NZ-OE2 2.73Å; K252-E255 PolarHBondContact NZ-OE2 3.3Å; E255-E258 PolarHBondContact O-N 3.22Å; E255-Q259 WeakPolarHBondContact O-CG 3.48Å; E255-Q259 PolarHBondContact O-N 2.98Å
256F82Confident83.1Confident40 Ų4058.9 Ų58.918%0.17529%0.294CS..Hα-helixtrans-63-44.1175.3173.9-102.4000111.5K252 L253 D254 E258 Q259 L260 P308 I765K252-F256 WeakPolarHBondContact O-CB 3.24Å; K252-F256 PolarHBondContact O-N 2.94Å; L253-F256 PolarHBondContact O-N 3.03Å; D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 2.97Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.39Å; F256-Q259 PolarHBondContact O-N 3.27Å; F256-L260 HydrophobicContact CE1-CD2 3.9Å; F256-L260 HydrophobicContact CZ-CB 4.49Å; F256-L260 HydrophobicContact CZ-CD2 4.11Å; F256-L260 VanDerWaalsContact O-CB 3.28Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å; F256-L260 PolarHBondContact O-N 3.49Å; F256-P308 HydrophobicContact CE1-CG 4.44Å; F256-I765 HydrophobicContact CD2-CD1 4.34Å; F256-I765 HydrophobicContact CE1-CD1 3.95Å; F256-I765 HydrophobicContact CE1-CG1 4.21Å; F256-I765 HydrophobicContact CE2-CD1 3.69Å; F256-I765 HydrophobicContact CE2-CG1 4.31Å; F256-I765 HydrophobicContact CE2-CG2 4.34Å; F256-I765 HydrophobicContact CZ-CD1 3.47Å; F256-I765 VanDerWaalsContact CZ-CD1 3.47Å; F256-I765 HydrophobicContact CZ-CG1 3.69Å; F256-I765 HydrophobicContact CZ-CG2 4.19Å
257G81.3Confident83.2Confident4 Ų454.6 Ų54.64%0.04128%0.276CS..Hα-helixtrans-62.4-38.4178.500000113L253 D254 S261L253-G257 PolarHBondContact O-N 3.46Å; D254-G257 PolarHBondContact O-N 3.01Å; D254-G257 VanDerWaalsContact O-N 3.14Å; G257-S261 WeakPolarHBondContact O-CB 3.5Å; G257-S261 PolarHBondContact O-N 3.41Å; G257-S261 PolarHBondContact O-OG 2.9Å
258E84.1Confident83Confident109 Ų10955.3 Ų55.351%0.50928%0.281SS..Hα-helixtrans-64.8-44172-71.7-171.6-174.700112.8D254 E255 F256 K262D254-E258 PolarHBondContact O-N 3.27Å; E255-E258 PolarHBondContact O-N 3.22Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.39Å; E258-K262 WeakPolarHBondContact O-CG 3.49Å; E258-K262 PolarHBondContact O-N 3.05Å
259Q83.8Confident83Confident105 Ų10558.9 Ų58.949%0.49130%0.303SS..Hα-helixtrans-63.8-46.5177.9-73.3-177.810.900111E255 F256 S261 K262 V263E255-Q259 WeakPolarHBondContact O-CG 3.48Å; E255-Q259 PolarHBondContact O-N 2.98Å; F256-Q259 PolarHBondContact O-N 3.27Å; Q259-S261 PolarHBondContact O-N 3.49Å; Q259-K262 WeakPolarHBondContact O-CB 3.37Å; Q259-K262 PolarHBondContact O-N 3.31Å; Q259-V263 WeakPolarHBondContact O-CG2 3.23Å; Q259-V263 PolarHBondContact O-N 3.49Å
260L80.7Confident83.1Confident24 Ų2459.8 Ų59.813%0.12631%0.312CS..Hα-helixtrans-60.6-44.5178.2-176.262.8000111.2L61 F256 K262 V263 I264 A306L61-L260 HydrophobicContact CD2-CD2 4.21Å; F256-L260 HydrophobicContact CE1-CD2 3.9Å; F256-L260 HydrophobicContact CZ-CB 4.49Å; F256-L260 HydrophobicContact CZ-CD2 4.11Å; F256-L260 VanDerWaalsContact O-CB 3.28Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å; F256-L260 PolarHBondContact O-N 3.49Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 3.34Å; L260-V263 PolarHBondContact O-N 2.8Å; L260-V263 VanDerWaalsContact O-N 3.08Å; L260-I264 HydrophobicContact CD1-CD1 4.45Å; L260-I264 HydrophobicContact CD1-CG1 4.46Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 HydrophobicContact CG-CG1 4.43Å; L260-I264 WeakPolarHBondContact O-CG1 3.38Å; L260-I264 PolarHBondContact O-N 2.76Å; L260-A306 HydrophobicContact CD1-CB 4.39Å; L260-A306 WeakPolarHBondContact CD2-O 3.34Å
261S80.6Confident82.9Confident5 Ų556.9 Ų56.94%0.03530%0.299CS..Hα-helixtrans-57-39.3175.9-62.60000112.7L60 L61 G257 Q259 S265L60-S261 WeakPolarHBondContact CD2-OG 3.33Å; L61-S261 VanDerWaalsContact CD2-OG 3.29Å; L61-S261 WeakPolarHBondContact CD2-OG 3.37Å; G257-S261 WeakPolarHBondContact O-CB 3.5Å; G257-S261 PolarHBondContact O-N 3.41Å; G257-S261 PolarHBondContact O-OG 2.9Å; Q259-S261 PolarHBondContact O-N 3.49Å; S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 2.89Å; S261-S265 PolarHBondContact O-OG 3.26Å
262K85.6Confident82.4Confident134 Ų13457.7 Ų57.758%0.58330%0.297SS*.Hα-helixtrans-67.8-42175.8-69.8166-172.7159.40111.5E258 Q259 L260 S265 L266E258-K262 WeakPolarHBondContact O-CG 3.49Å; E258-K262 PolarHBondContact O-N 3.05Å; Q259-K262 WeakPolarHBondContact O-CB 3.37Å; Q259-K262 PolarHBondContact O-N 3.31Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 3.34Å; K262-S265 PolarHBondContact O-N 3.38Å; K262-L266 WeakPolarHBondContact O-CB 3.09Å; K262-L266 PolarHBondContact O-N 3.3Å
263V83.7Confident82.3Confident77 Ų7760.9 Ų60.947%0.46732%0.316SS..Hα-helixtrans-63.1-48.9177.1173.10000110.8Q259 L260 S265 L266 I267Q259-V263 WeakPolarHBondContact O-CG2 3.23Å; Q259-V263 PolarHBondContact O-N 3.49Å; L260-V263 PolarHBondContact O-N 2.8Å; L260-V263 VanDerWaalsContact O-N 3.08Å; V263-S265 VanDerWaalsContact C-N 3.33Å; V263-S265 PolarHBondContact O-N 3.01Å; V263-L266 PolarHBondContact O-N 2.66Å; V263-L266 VanDerWaalsContact O-N 3.17Å; V263-I267 HydrophobicContact CG1-CD1 3.72Å; V263-I267 HydrophobicContact CG1-CG1 4.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.42Å
264I81.6Confident82.2Confident7 Ų762.8 Ų62.84%0.03633%0.325CS..Hα-helixtrans-54.9-50.7176.2-66.3167.7000110.1L260 L266 I267 C268 A303 A306 I307L260-I264 HydrophobicContact CD1-CD1 4.45Å; L260-I264 HydrophobicContact CD1-CG1 4.46Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 HydrophobicContact CG-CG1 4.43Å; L260-I264 WeakPolarHBondContact O-CG1 3.38Å; L260-I264 PolarHBondContact O-N 2.76Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.36Å; I264-I267 PolarHBondContact O-N 3.4Å; I264-C268 WeakPolarHBondContact O-CB 3.35Å; I264-C268 PolarHBondContact O-N 3.04Å; I264-C268 PolarHBondContact O-SG 3.47Å; I264-A303 HydrophobicContact CG2-CB 4.29Å; I264-A306 HydrophobicContact CD1-CB 3.47Å; I264-A306 VanDerWaalsContact CD1-CB 3.47Å; I264-A306 HydrophobicContact CG1-CB 3.38Å; I264-I307 HydrophobicContact CD1-CD1 4.44Å; I264-I307 HydrophobicContact CD1-CG1 4Å
265S83.3Confident81.8Confident68 Ų6860.3 Ų60.348%0.47631%0.312SS..Hα-helixtrans-58.4-42.1179.8-59.90000112.3S261 K262 V263 V269S261-S265 WeakPolarHBondContact O-CB 3.49Å; S261-S265 PolarHBondContact O-N 2.89Å; S261-S265 PolarHBondContact O-OG 3.26Å; K262-S265 PolarHBondContact O-N 3.38Å; V263-S265 VanDerWaalsContact C-N 3.33Å; V263-S265 PolarHBondContact O-N 3.01Å; S265-V269 WeakPolarHBondContact O-CG2 3.31Å; S265-V269 PolarHBondContact O-N 2.87Å; S265-V269 VanDerWaalsContact O-N 3.1Å
266L87.2Confident81.4Confident123 Ų12360 Ų6064%0.64431%0.312SS*.Hα-helixtrans-66.1-44.1178.2-172154.5000111.6K262 V263 I264 V269 A270K262-L266 WeakPolarHBondContact O-CB 3.09Å; K262-L266 PolarHBondContact O-N 3.3Å; V263-L266 PolarHBondContact O-N 2.66Å; V263-L266 VanDerWaalsContact O-N 3.17Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.36Å; L266-V269 PolarHBondContact O-N 2.94Å; L266-A270 WeakPolarHBondContact O-CB 3.02Å; L266-A270 PolarHBondContact O-N 3.41Å
267I83.1Confident80.9Confident30 Ų3061 Ų6115%0.15433%0.334CS..Hα-helixtrans-67.4-42.2178.9-59.9171.6000110.4V263 I264 V269 A270 V271 L302 V772 F776V263-I267 HydrophobicContact CG1-CD1 3.72Å; V263-I267 HydrophobicContact CG1-CG1 4.32Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.42Å; I264-I267 PolarHBondContact O-N 3.4Å; I267-V269 VanDerWaalsContact C-N 3.3Å; I267-V269 PolarHBondContact O-N 3.01Å; I267-A270 WeakPolarHBondContact O-CB 3.48Å; I267-A270 PolarHBondContact O-N 3.48Å; I267-A270 VanDerWaalsContact O-N 3.08Å; I267-V271 HydrophobicContact CG2-CG2 4.12Å; I267-V271 WeakPolarHBondContact O-CG2 3.43Å; I267-V271 PolarHBondContact O-N 3.14Å; I267-L302 HydrophobicContact CB-CD2 3.91Å; I267-L302 HydrophobicContact CG2-CD1 4.14Å; I267-L302 HydrophobicContact CG2-CD2 3.43Å; I267-L302 VanDerWaalsContact CG2-CD2 3.43Å; I267-L302 HydrophobicContact CG2-CG 4.35Å; I267-V772 HydrophobicContact CD1-CG1 3.61Å; I267-F776 HydrophobicContact CG2-CD2 3.88Å
268C79.6Confident80.3Confident33 Ų3364.1 Ų64.122%0.22335%0.347CS..Hα-helixtrans-55-45.4173.6-73.10000111.7I264 W272I264-C268 WeakPolarHBondContact O-CB 3.35Å; I264-C268 PolarHBondContact O-N 3.04Å; I264-C268 PolarHBondContact O-SG 3.47Å; C268-W272 WeakPolarHBondContact O-CB 3.45Å; C268-W272 PolarHBondContact O-N 3.41Å
269V83.8Confident79.7Confident84 Ų8459 Ų5951%0.50932%0.323SS..Hα-helixtrans-65.6-40.4175.7172.30000111.4S265 L266 I267 W272 L273S265-V269 WeakPolarHBondContact O-CG2 3.31Å; S265-V269 PolarHBondContact O-N 2.87Å; S265-V269 VanDerWaalsContact O-N 3.1Å; L266-V269 PolarHBondContact O-N 2.94Å; I267-V269 VanDerWaalsContact C-N 3.3Å; I267-V269 PolarHBondContact O-N 3.01Å; V269-W272 PolarHBondContact O-N 2.89Å; V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 HydrophobicContact CG1-CG 4.35Å; V269-L273 WeakPolarHBondContact O-CB 3.14Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.35Å; V269-L273 PolarHBondContact O-N 3.18Å
270A83.6Confident78.7Confident29 Ų2959.3 Ų59.324%0.2433%0.328CS..Hα-helixtrans-64-46.8178.300000112L266 I267 W272 L273 I274L266-A270 WeakPolarHBondContact O-CB 3.02Å; L266-A270 PolarHBondContact O-N 3.41Å; I267-A270 WeakPolarHBondContact O-CB 3.48Å; I267-A270 PolarHBondContact O-N 3.48Å; I267-A270 VanDerWaalsContact O-N 3.08Å; A270-W272 VanDerWaalsContact C-N 3.3Å; A270-W272 PolarHBondContact O-N 3.28Å; A270-L273 PolarHBondContact O-N 2.8Å; A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.09Å
271V77.8Confident78.1Confident7 Ų759.2 Ų59.24%0.04233%0.328CS..Hα-helixtrans-59.6-43.6175172.50000110.2I267 L273 I274 N275 I298 F776 A779I267-V271 HydrophobicContact CG2-CG2 4.12Å; I267-V271 WeakPolarHBondContact O-CG2 3.43Å; I267-V271 PolarHBondContact O-N 3.14Å; V271-L273 PolarHBondContact O-N 3.17Å; V271-I274 PolarHBondContact O-N 2.88Å; V271-N275 VanDerWaalsContact O-CB 3.28Å; V271-N275 WeakPolarHBondContact O-CB 3.38Å; V271-N275 PolarHBondContact O-N 2.85Å; V271-N275 PolarHBondContact O-ND2 2.68Å; V271-N275 VanDerWaalsContact O-ND2 3.09Å; V271-I298 HydrophobicContact CG1-CG2 4.1Å; V271-F776 HydrophobicContact CG2-CD2 3.81Å; V271-F776 HydrophobicContact CG2-CE2 4.22Å; V271-A779 HydrophobicContact CG1-CB 4.14Å
272W76.2Confident77Confident117 Ų11763.3 Ų63.344%0.44335%0.354SS..Hα-helixtrans-61.3-43.8176.1-173.786.7000112.6C268 V269 A270 N275 I276 F279C268-W272 WeakPolarHBondContact O-CB 3.45Å; C268-W272 PolarHBondContact O-N 3.41Å; V269-W272 PolarHBondContact O-N 2.89Å; A270-W272 VanDerWaalsContact C-N 3.3Å; A270-W272 PolarHBondContact O-N 3.28Å; W272-N275 PolarHBondContact O-N 2.9Å; W272-I276 HydrophobicContact CH2-CD1 3.6Å; W272-I276 HydrophobicContact CH2-CG1 4.48Å; W272-I276 HydrophobicContact CZ2-CD1 4.04Å; W272-I276 HydrophobicContact CZ2-CG1 4.5Å; W272-I276 HydrophobicContact CZ3-CD1 3.96Å; W272-I276 PolarHBondContact O-N 3.42Å; W272-F279 AromaticContact CD1-CZ 3.57Å; W272-F279 HydrophobicContact CG-CZ 4.42Å; W272-F279 AromaticContact NE1-CE2 3.52Å; W272-F279 AromaticContact NE1-CZ 3.46Å
273L81.5Confident75.6Confident103 Ų10360.5 Ų60.554%0.53935%0.348SS..Hα-helixtrans-66.5-38.6178.2-74.5173.9000113.1V269 A270 V271 N275 I276V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 HydrophobicContact CG1-CG 4.35Å; V269-L273 WeakPolarHBondContact O-CB 3.14Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.35Å; V269-L273 PolarHBondContact O-N 3.18Å; A270-L273 PolarHBondContact O-N 2.8Å; V271-L273 PolarHBondContact O-N 3.17Å; L273-N275 VanDerWaalsContact C-N 3.29Å; L273-I276 WeakPolarHBondContact O-CG2 3.29Å
274I80.8Confident74.3Confident80 Ų8057.7 Ų57.741%0.4133%0.33SS..Hα-helixtrans-64.7-40.1176.2-68.6164.8000109.8A270 V271 F776 A780A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.09Å; V271-I274 PolarHBondContact O-N 2.88Å; I274-F776 HydrophobicContact CD1-CE2 4.14Å; I274-F776 HydrophobicContact CD1-CZ 4.18Å; I274-A780 HydrophobicContact CD1-CB 4.29Å
275N73.6Confident72.9Confident4 Ų460 Ų602%0.02136%0.356CS..Hα-helixtrans-96-5.2-170.1-73.6-47.8000115.6V271 W272 L273 G277 H278 F279 Y295 A779V271-N275 VanDerWaalsContact O-CB 3.28Å; V271-N275 WeakPolarHBondContact O-CB 3.38Å; V271-N275 PolarHBondContact O-N 2.85Å; V271-N275 PolarHBondContact O-ND2 2.68Å; V271-N275 VanDerWaalsContact O-ND2 3.09Å; W272-N275 PolarHBondContact O-N 2.9Å; L273-N275 VanDerWaalsContact C-N 3.29Å; N275-G277 PolarHBondContact O-N 2.76Å; N275-H278 WeakPolarHBondContact O-CB 3.45Å; N275-H278 PolarHBondContact O-N 2.73Å; N275-F279 HydrophobicContact CB-CE1 4.25Å; N275-F279 WeakPolarHBondContact O-CD1 3.48Å; N275-F279 WeakPolarHBondContact O-CE1 3.18Å; N275-Y295 HydrophobicContact CB-CD1 3.47Å; N275-Y295 VanDerWaalsContact CB-CD1 3.47Å; N275-Y295 HydrophobicContact CB-CD2 4.27Å; N275-Y295 HydrophobicContact CB-CE1 3.21Å; N275-Y295 HydrophobicContact CB-CE2 4.03Å; N275-Y295 HydrophobicContact CB-CG 4.02Å; N275-Y295 VanDerWaalsContact CB-CZ 3.48Å; N275-Y295 WeakPolarHBondContact ND2-CE1 3.39Å; N275-A779 PolarHBondContact ND2-O 3.09Å; N275-A779 PolarHBondContact OD1-O 2.94Å
276I76Confident71.6Confident76 Ų7659.3 Ų59.339%0.3936%0.359SS..G310 helixtrans-54.9-30.3178.8-162.4174.8000113.1W272 L273 H278W272-I276 HydrophobicContact CH2-CD1 3.6Å; W272-I276 HydrophobicContact CH2-CG1 4.48Å; W272-I276 HydrophobicContact CZ2-CD1 4.04Å; W272-I276 HydrophobicContact CZ2-CG1 4.5Å; W272-I276 HydrophobicContact CZ3-CD1 3.96Å; W272-I276 PolarHBondContact O-N 3.42Å; L273-I276 WeakPolarHBondContact O-CG2 3.29Å; I276-H278 VanDerWaalsContact C-N 3.25Å; I276-H278 PolarHBondContact O-N 3.47Å
277G70.4Confident70.5Confident61 Ų6155.6 Ų55.663%0.62934%0.343SS*.G310 helixtrans-67.1-24.1176.600000114N275N275-G277 PolarHBondContact O-N 2.76Å
278H69.7Low69.8Low70 Ų7060.8 Ų60.832%0.32436%0.361SS..G310 helixtrans-97.2-0.4-175.6-68.9-75.1000113.5N275 I276 N280 D281 Y295N275-H278 WeakPolarHBondContact O-CB 3.45Å; N275-H278 PolarHBondContact O-N 2.73Å; I276-H278 VanDerWaalsContact C-N 3.25Å; I276-H278 PolarHBondContact O-N 3.47Å; H278-N280 PolarHBondContact O-N 3.19Å; H278-N280 VanDerWaalsContact O-N 3.17Å; H278-D281 WeakPolarHBondContact CB-OD2 3.48Å; H278-D281 IonicContact CG-OD2 2.66Å; H278-D281 IonicContact ND1-OD2 3.86Å; H278-D281 PolarHBondContact ND1-OD2 3.28Å; H278-D281 WeakPolarHBondContact O-CB 3.25Å; H278-D281 PolarHBondContact O-N 3.03Å; H278-D281 VanDerWaalsContact O-N 3.15Å; H278-Y295 HydrophobicContact CB-CE2 4.25Å; H278-Y295 VanDerWaalsContact CB-OH 3.3Å; H278-Y295 WeakPolarHBondContact CB-OH 3.46Å
279F70.7Confident69.2Low2 Ų264.7 Ų64.71%0.00938%0.379CS..THydrogen-bonded Turntrans-68.1-17.4-177.3-78.225.7000113.3W272 N275 W288 A292 Y295W272-F279 AromaticContact CD1-CZ 3.57Å; W272-F279 HydrophobicContact CG-CZ 4.42Å; W272-F279 AromaticContact NE1-CE2 3.52Å; W272-F279 AromaticContact NE1-CZ 3.46Å; N275-F279 HydrophobicContact CB-CE1 4.25Å; N275-F279 WeakPolarHBondContact O-CD1 3.48Å; N275-F279 WeakPolarHBondContact O-CE1 3.18Å; F279-W288 VanDerWaalsContact CB-CD1 3.48Å; F279-W288 HydrophobicContact CB-CG 4.49Å; F279-W288 AromaticContact CD2-CE2 3.92Å; F279-W288 HydrophobicContact CD2-CZ2 4.23Å; F279-W288 AromaticContact CD2-NE1 3.63Å; F279-A292 HydrophobicContact CD2-CB 4.26Å; F279-A292 HydrophobicContact CE2-CB 4.11Å; F279-Y295 AromaticContact CD1-CD2 3.36Å; F279-Y295 HydrophobicContact CD1-CD2 3.36Å; F279-Y295 AromaticContact CD1-CE2 3.63Å; F279-Y295 HydrophobicContact CD1-CE2 3.63Å; F279-Y295 HydrophobicContact CD1-CG 4.29Å; F279-Y295 AromaticContact CE1-CD2 3.09Å; F279-Y295 HydrophobicContact CE1-CD2 3.09Å; F279-Y295 AromaticContact CE1-CE2 3.74Å; F279-Y295 HydrophobicContact CE1-CE2 3.74Å; F279-Y295 AromaticContact CE1-CG 3.57Å; F279-Y295 HydrophobicContact CE1-CG 3.57Å; F279-Y295 HydrophobicContact CG-CD2 4.47Å; F279-Y295 HydrophobicContact CZ-CD2 4.01Å; F279-Y295 HydrophobicContact CZ-CG 4.24Å
280N64.2Low68.3Low111 Ų11167 Ų6759%0.59438%0.378SS*.THydrogen-bonded Turntrans-98.210.2178.3-71.2-26.5000112.9H278 W288H278-N280 PolarHBondContact O-N 3.19Å; H278-N280 VanDerWaalsContact O-N 3.17Å; N280-W288 VanDerWaalsContact OD1-CD1 3.25Å
281D66.8Low67.6Low23 Ų2365.7 Ų65.712%0.12337%0.367CS..  trans-66.3145.1-174.8-78.6-14.4000112.6H278 V283 H284H278-D281 WeakPolarHBondContact CB-OD2 3.48Å; H278-D281 IonicContact CG-OD2 2.66Å; H278-D281 IonicContact ND1-OD2 3.86Å; H278-D281 PolarHBondContact ND1-OD2 3.28Å; H278-D281 WeakPolarHBondContact O-CB 3.25Å; H278-D281 PolarHBondContact O-N 3.03Å; H278-D281 VanDerWaalsContact O-N 3.15Å; D281-V283 VanDerWaalsContact C-N 3.31Å; D281-V283 PolarHBondContact O-N 3.46Å; D281-H284 PolarHBondContact O-N 3.24Å
282P58.4Low67.3Low90 Ų9066.9 Ų66.958%0.58438%0.378SS*.G310 helixtrans-63.7-27.9-168.3-21.232.4000115.2H284 G285P282-H284 PolarHBondContact O-N 2.81Å; P282-G285 WeakPolarHBondContact O-CA 3.31Å; P282-G285 PolarHBondContact O-N 2.91Å
283V55.2Low66.9Low75 Ų7565.1 Ų65.146%0.45538%0.376SS..G310 helixtrans-64.6-25.6179.7157.40000113D281 G285 M874D281-V283 VanDerWaalsContact C-N 3.31Å; D281-V283 PolarHBondContact O-N 3.46Å; V283-G285 PolarHBondContact O-N 3.07Å; V283-G285 VanDerWaalsContact O-N 3.15Å; V283-M874 WeakPolarHBondContact CB-O 3.47Å; V283-M874 VanDerWaalsContact CG2-C 3.43Å; V283-M874 WeakPolarHBondContact CG2-O 3.47Å
284H57.2Low66.3Low18 Ų1862.5 Ų62.58%0.08336%0.36CS..G310 helixtrans-79.714171.8-56.997.5000112.5D281 P282 G286 R290 Y294D281-H284 PolarHBondContact O-N 3.24Å; P282-H284 PolarHBondContact O-N 2.81Å; H284-G286 VanDerWaalsContact C-N 3.3Å; H284-G286 PolarHBondContact O-N 3.36Å; H284-R290 HydrophobicContact CB-CB 3.88Å; H284-R290 WeakPolarHBondContact O-CB 3.32Å; H284-R290 WeakPolarHBondContact O-CD 3.35Å; H284-Y294 AromaticContact NE2-CD1 3.84Å; H284-Y294 AromaticContact NE2-CG 3.67Å
285G52.6Low65.9Low56 Ų5659.3 Ų59.358%0.57734%0.342SS*.THydrogen-bonded Turntrans70.721.5-175.100000114P282 V283 S287P282-G285 WeakPolarHBondContact O-CA 3.31Å; P282-G285 PolarHBondContact O-N 2.91Å; V283-G285 PolarHBondContact O-N 3.07Å; V283-G285 VanDerWaalsContact O-N 3.15Å; G285-S287 PolarHBondContact O-N 3Å
286G56.2Low65.7Low53 Ų5364.2 Ų64.255%0.54636%0.364SS..THydrogen-bonded Turntrans67.613.5-17700000114.7H284H284-G286 VanDerWaalsContact C-N 3.3Å; H284-G286 PolarHBondContact O-N 3.36Å
287S62.7Low65.4Low45 Ų4563.7 Ų63.732%0.31536%0.359SS..  trans-102.8118.1-179.2-177.70000111G285 I289 R290 G291G285-S287 PolarHBondContact O-N 3Å; S287-I289 PolarHBondContact O-N 3.45Å; S287-R290 PolarHBondContact O-N 3.27Å; S287-G291 PolarHBondContact O-N 3.05Å
288W69.7Low65.6Low140 Ų14061.3 Ų61.353%0.5333%0.332SS..Hα-helixtrans-53-28.5175.8-160.365.9000112.9F279 N280 A292F279-W288 VanDerWaalsContact CB-CD1 3.48Å; F279-W288 HydrophobicContact CB-CG 4.49Å; F279-W288 AromaticContact CD2-CE2 3.92Å; F279-W288 HydrophobicContact CD2-CZ2 4.23Å; F279-W288 AromaticContact CD2-NE1 3.63Å; N280-W288 VanDerWaalsContact OD1-CD1 3.25Å; W288-A292 VanDerWaalsContact O-CB 3.26Å; W288-A292 WeakPolarHBondContact O-CB 3.33Å; W288-A292 PolarHBondContact O-N 3.26Å
289I67.1Low65.7Low115 Ų11559 Ų5959%0.5932%0.324SS*.Hα-helixtrans-66.3-42.9177.3-76.4165.1000111.7S287 A292 I293S287-I289 PolarHBondContact O-N 3.45Å; I289-A292 PolarHBondContact O-N 2.96Å; I289-I293 HydrophobicContact CG2-CD1 3.84Å; I289-I293 WeakPolarHBondContact O-CB 3.18Å; I289-I293 WeakPolarHBondContact O-CD1 3.49Å; I289-I293 WeakPolarHBondContact O-CG1 3.23Å; I289-I293 PolarHBondContact O-N 2.99Å
290R63.7Low65.7Low133 Ų13359.2 Ų59.250%0.50233%0.326SS..Hα-helixtrans-74.5-36.5-177.7-71.4-170.5-168.3156-7.5111.9H284 S287 I293 Y294H284-R290 HydrophobicContact CB-CB 3.88Å; H284-R290 WeakPolarHBondContact O-CB 3.32Å; H284-R290 WeakPolarHBondContact O-CD 3.35Å; S287-R290 PolarHBondContact O-N 3.27Å; R290-I293 WeakPolarHBondContact O-CB 3.37Å; R290-I293 PolarHBondContact O-N 3.21Å; R290-Y294 PolarHBondContact O-N 3.3Å
291G69.9Low66.1Low0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-62.8-44170.200000112.1S287 I293 Y294 Y295S287-G291 PolarHBondContact O-N 3.05Å; G291-I293 VanDerWaalsContact C-N 3.3Å; G291-I293 PolarHBondContact O-N 3.43Å; G291-Y294 PolarHBondContact O-N 2.9Å; G291-Y295 VanDerWaalsContact O-CD2 3.22Å; G291-Y295 WeakPolarHBondContact O-CD2 3.47Å; G291-Y295 PolarHBondContact O-N 3.21Å; G291-Y295 VanDerWaalsContact O-N 3.07Å
292A70.1Confident66.6Low33 Ų3353.2 Ų53.227%0.27330%0.295SS..Hα-helixtrans-60.2-40.1174.700000112.3F279 W288 I289 F296F279-A292 HydrophobicContact CD2-CB 4.26Å; F279-A292 HydrophobicContact CE2-CB 4.11Å; W288-A292 VanDerWaalsContact O-CB 3.26Å; W288-A292 WeakPolarHBondContact O-CB 3.33Å; W288-A292 PolarHBondContact O-N 3.26Å; I289-A292 PolarHBondContact O-N 2.96Å; A292-F296 WeakPolarHBondContact O-CB 3.29Å; A292-F296 PolarHBondContact O-N 3.23Å
293I67.9Low67.5Low79 Ų7949.3 Ų49.341%0.40527%0.27SS..Hα-helixtrans-61.5-44.3175.2-76.8169.7000111.6L75 I289 R290 G291 F296 K297L75-I293 HydrophobicContact CD2-CG2 3.45Å; L75-I293 VanDerWaalsContact CD2-CG2 3.45Å; I289-I293 HydrophobicContact CG2-CD1 3.84Å; I289-I293 WeakPolarHBondContact O-CB 3.18Å; I289-I293 WeakPolarHBondContact O-CD1 3.49Å; I289-I293 WeakPolarHBondContact O-CG1 3.23Å; I289-I293 PolarHBondContact O-N 2.99Å; R290-I293 WeakPolarHBondContact O-CB 3.37Å; R290-I293 PolarHBondContact O-N 3.21Å; G291-I293 VanDerWaalsContact C-N 3.3Å; G291-I293 PolarHBondContact O-N 3.43Å; I293-F296 WeakPolarHBondContact O-CB 3.36Å; I293-F296 PolarHBondContact O-N 3.04Å; I293-K297 PolarHBondContact O-N 3.25Å
294Y70.3Confident68.5Low49 Ų4945.7 Ų45.719%0.19225%0.248CC..Hα-helixtrans-63.5-50.1178.5179.7-103.5000112.5H284 R290 G291 F296 K297 I298 E785 M874H284-Y294 AromaticContact NE2-CD1 3.84Å; H284-Y294 AromaticContact NE2-CG 3.67Å; R290-Y294 PolarHBondContact O-N 3.3Å; G291-Y294 PolarHBondContact O-N 2.9Å; Y294-F296 PolarHBondContact O-N 3Å; Y294-K297 WeakPolarHBondContact O-CA 3.27Å; Y294-K297 VanDerWaalsContact O-CB 3.28Å; Y294-K297 WeakPolarHBondContact O-CB 3.36Å; Y294-K297 PolarHBondContact O-N 3.33Å; Y294-I298 HydrophobicContact CD1-CD1 4.22Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.44Å; Y294-I298 PolarHBondContact O-N 3.45Å; Y294-E785 WeakPolarHBondContact CE2-OE1 3.16Å; Y294-E785 PolarHBondContact OH-OE1 2.94Å; Y294-M874 HydrophobicContact CE1-SD 4.23Å
295Y72.1Confident69.6Low12 Ų1244.9 Ų44.95%0.04724%0.244CC..Hα-helixtrans-68.2-22.5177.4-72.5-69.1000113.2N275 H278 F279 G291 I298 A299N275-Y295 HydrophobicContact CB-CD1 3.47Å; N275-Y295 VanDerWaalsContact CB-CD1 3.47Å; N275-Y295 HydrophobicContact CB-CD2 4.27Å; N275-Y295 HydrophobicContact CB-CE1 3.21Å; N275-Y295 HydrophobicContact CB-CE2 4.03Å; N275-Y295 HydrophobicContact CB-CG 4.02Å; N275-Y295 VanDerWaalsContact CB-CZ 3.48Å; N275-Y295 WeakPolarHBondContact ND2-CE1 3.39Å; H278-Y295 HydrophobicContact CB-CE2 4.25Å; H278-Y295 VanDerWaalsContact CB-OH 3.3Å; H278-Y295 WeakPolarHBondContact CB-OH 3.46Å; F279-Y295 AromaticContact CD1-CD2 3.36Å; F279-Y295 HydrophobicContact CD1-CD2 3.36Å; F279-Y295 AromaticContact CD1-CE2 3.63Å; F279-Y295 HydrophobicContact CD1-CE2 3.63Å; F279-Y295 HydrophobicContact CD1-CG 4.29Å; F279-Y295 AromaticContact CE1-CD2 3.09Å; F279-Y295 HydrophobicContact CE1-CD2 3.09Å; F279-Y295 AromaticContact CE1-CE2 3.74Å; F279-Y295 HydrophobicContact CE1-CE2 3.74Å; F279-Y295 AromaticContact CE1-CG 3.57Å; F279-Y295 HydrophobicContact CE1-CG 3.57Å; F279-Y295 HydrophobicContact CG-CD2 4.47Å; F279-Y295 HydrophobicContact CZ-CD2 4.01Å; F279-Y295 HydrophobicContact CZ-CG 4.24Å; G291-Y295 VanDerWaalsContact O-CD2 3.22Å; G291-Y295 WeakPolarHBondContact O-CD2 3.47Å; G291-Y295 PolarHBondContact O-N 3.21Å; G291-Y295 VanDerWaalsContact O-N 3.07Å; Y295-I298 HydrophobicContact CD1-CD1 3.95Å; Y295-I298 HydrophobicContact CE1-CD1 4.18Å; Y295-A299 PolarHBondContact O-N 3.25Å; Y295-A299 VanDerWaalsContact O-N 3.08Å
296F69.8Low71.1Confident107 Ų10742.5 Ų42.547%0.46922%0.219SC..Hα-helixtrans-74.5-34.7170.3-163-116.1000112.3I71 A292 I293 Y294 I298 A299 V300I71-F296 HydrophobicContact CB-CE1 4.04Å; I71-F296 HydrophobicContact CD1-CD1 4.32Å; I71-F296 HydrophobicContact CD1-CE1 3.3Å; I71-F296 HydrophobicContact CD1-CE2 4.32Å; I71-F296 HydrophobicContact CD1-CZ 3.28Å; I71-F296 HydrophobicContact CG1-CE1 3.51Å; I71-F296 HydrophobicContact CG1-CZ 3.93Å; I71-F296 HydrophobicContact CG2-CD1 3.52Å; I71-F296 HydrophobicContact CG2-CE1 3.32Å; I71-F296 HydrophobicContact CG2-CZ 4.41Å; A292-F296 WeakPolarHBondContact O-CB 3.29Å; A292-F296 PolarHBondContact O-N 3.23Å; I293-F296 WeakPolarHBondContact O-CB 3.36Å; I293-F296 PolarHBondContact O-N 3.04Å; Y294-F296 PolarHBondContact O-N 3Å; F296-I298 VanDerWaalsContact C-N 3.35Å; F296-A299 WeakPolarHBondContact O-CB 3.13Å; F296-A299 PolarHBondContact O-N 3.12Å; F296-V300 WeakPolarHBondContact O-CG2 3.15Å; F296-V300 PolarHBondContact O-N 3.21Å
297K69.6Low72.4Confident65 Ų6540.4 Ų40.428%0.28320%0.195SC..Hα-helixtrans-60.6-42.2168.4-174.1-176.1178.2-179.90111.4L75 I293 Y294 A299 V300 A301L75-K297 HydrophobicContact CD1-CB 4.13Å; L75-K297 HydrophobicContact CD1-CG 4.39Å; I293-K297 PolarHBondContact O-N 3.25Å; Y294-K297 WeakPolarHBondContact O-CA 3.27Å; Y294-K297 VanDerWaalsContact O-CB 3.28Å; Y294-K297 WeakPolarHBondContact O-CB 3.36Å; Y294-K297 PolarHBondContact O-N 3.33Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.05Å; K297-V300 WeakPolarHBondContact O-CB 3.44Å; K297-V300 PolarHBondContact O-N 3.27Å; K297-A301 PolarHBondContact O-N 2.89Å
298I73.3Confident73.4Confident12 Ų1238.9 Ų38.96%0.06218%0.184CC..Hα-helixtrans-61.2-40.8172.5-66.5177.8000111.2V271 Y294 Y295 F296 V300 A301 L302 I775 A779V271-I298 HydrophobicContact CG1-CG2 4.1Å; Y294-I298 HydrophobicContact CD1-CD1 4.22Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.44Å; Y294-I298 PolarHBondContact O-N 3.45Å; Y295-I298 HydrophobicContact CD1-CD1 3.95Å; Y295-I298 HydrophobicContact CE1-CD1 4.18Å; F296-I298 VanDerWaalsContact C-N 3.35Å; I298-V300 VanDerWaalsContact C-N 3.31Å; I298-V300 PolarHBondContact O-N 3.14Å; I298-A301 PolarHBondContact O-N 3.12Å; I298-L302 VanDerWaalsContact O-CB 3.26Å; I298-L302 WeakPolarHBondContact O-CB 3.36Å; I298-L302 PolarHBondContact O-N 3.16Å; I298-I775 HydrophobicContact CG2-CG2 4.23Å; I298-A779 HydrophobicContact CD1-CB 4.25Å; I298-A779 HydrophobicContact CG2-CB 3.89Å
299A71.6Confident74Confident21 Ų2132.5 Ų32.517%0.17416%0.16CC..Hα-helixtrans-63.8-35.417600000112.6Y295 F296 K297 A303Y295-A299 PolarHBondContact O-N 3.25Å; Y295-A299 VanDerWaalsContact O-N 3.08Å; F296-A299 WeakPolarHBondContact O-CB 3.13Å; F296-A299 PolarHBondContact O-N 3.12Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.05Å; A299-A303 WeakPolarHBondContact O-CB 3.15Å; A299-A303 PolarHBondContact O-N 3.48Å
300V70.4Confident74.7Confident6 Ų627 Ų274%0.03613%0.133CC..Hα-helixtrans-66.8-47.5172.2169.20000111.2A68 I71 F296 K297 I298 L302 A303 V304A68-V300 HydrophobicContact CB-CG1 3.92Å; I71-V300 HydrophobicContact CB-CG2 3.99Å; I71-V300 HydrophobicContact CD1-CG2 4.06Å; I71-V300 HydrophobicContact CG2-CG2 3.63Å; F296-V300 WeakPolarHBondContact O-CG2 3.15Å; F296-V300 PolarHBondContact O-N 3.21Å; K297-V300 WeakPolarHBondContact O-CB 3.44Å; K297-V300 PolarHBondContact O-N 3.27Å; I298-V300 VanDerWaalsContact C-N 3.31Å; I298-V300 PolarHBondContact O-N 3.14Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 2.96Å; V300-A303 WeakPolarHBondContact O-CB 3.31Å; V300-A303 PolarHBondContact O-N 3.04Å; V300-A303 VanDerWaalsContact O-N 3.14Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 3.32Å
301A72.6Confident75.7Confident7 Ų721.2 Ų21.26%0.05811%0.112CC..Hα-helixtrans-59.2-40.9176.700000112K297 I298 V304 A305 P789K297-A301 PolarHBondContact O-N 2.89Å; I298-A301 PolarHBondContact O-N 3.12Å; A301-V304 PolarHBondContact O-N 2.87Å; A301-A305 WeakPolarHBondContact O-CB 3.28Å; A301-A305 PolarHBondContact O-N 3.05Å; A301-P789 HydrophobicContact CB-CG 3.74Å
302L78.4Confident76.3Confident2 Ų224.2 Ų24.21%0.0113%0.131CC..Hα-helixtrans-64.7-39.6175.5-17375.2000112.4I267 I298 V300 V304 A305 A306 V772 I775I267-L302 HydrophobicContact CB-CD2 3.91Å; I267-L302 HydrophobicContact CG2-CD1 4.14Å; I267-L302 HydrophobicContact CG2-CD2 3.43Å; I267-L302 VanDerWaalsContact CG2-CD2 3.43Å; I267-L302 HydrophobicContact CG2-CG 4.35Å; I298-L302 VanDerWaalsContact O-CB 3.26Å; I298-L302 WeakPolarHBondContact O-CB 3.36Å; I298-L302 PolarHBondContact O-N 3.16Å; V300-L302 VanDerWaalsContact C-N 3.28Å; V300-L302 PolarHBondContact O-N 2.96Å; L302-V304 VanDerWaalsContact C-N 3.34Å; L302-A305 PolarHBondContact O-N 3.07Å; L302-A306 WeakPolarHBondContact O-CB 3.47Å; L302-A306 PolarHBondContact O-N 3.23Å; L302-A306 VanDerWaalsContact O-N 3.13Å; L302-V772 HydrophobicContact CD1-CG1 4.14Å; L302-I775 HydrophobicContact CB-CG2 4.2Å; L302-I775 HydrophobicContact CD1-CB 4.07Å; L302-I775 HydrophobicContact CD1-CG2 3.91Å
303A76.8Confident77Confident7 Ų724.6 Ų24.66%0.05813%0.134CC..Hα-helixtrans-64.3-40.2176.600000111.7I64 I264 A299 V300 I307I64-A303 HydrophobicContact CG2-CB 4.03Å; I264-A303 HydrophobicContact CG2-CB 4.29Å; A299-A303 WeakPolarHBondContact O-CB 3.15Å; A299-A303 PolarHBondContact O-N 3.48Å; V300-A303 WeakPolarHBondContact O-CB 3.31Å; V300-A303 PolarHBondContact O-N 3.04Å; V300-A303 VanDerWaalsContact O-N 3.14Å; A303-I307 WeakPolarHBondContact O-CD1 3.16Å; A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.44Å
304V76.1Confident78Confident0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-65.2-49.9173.9172.80000110.8L65 I94 V300 A301 L302 A306 I307 L793L65-V304 HydrophobicContact CD2-CG2 4.44Å; I94-V304 HydrophobicContact CD1-CG2 4.4Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 3.32Å; A301-V304 PolarHBondContact O-N 2.87Å; L302-V304 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.18Å; V304-A306 VanDerWaalsContact O-N 3.07Å; V304-I307 PolarHBondContact O-N 3.24Å; V304-L793 HydrophobicContact CG1-CD1 4.44Å; V304-L793 HydrophobicContact CG1-CD2 3.61Å; V304-L793 HydrophobicContact CG1-CG 3.72Å
305A80.9Confident78.9Confident0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-56.4-30.3179.300000113.7A301 L302 N768 E771 V772 I775 L792A301-A305 WeakPolarHBondContact O-CB 3.28Å; A301-A305 PolarHBondContact O-N 3.05Å; L302-A305 PolarHBondContact O-N 3.07Å; A305-N768 WeakPolarHBondContact O-CB 3.46Å; A305-N768 PolarHBondContact O-ND2 3.35Å; A305-E771 HydrophobicContact CB-CB 3.85Å; A305-V772 HydrophobicContact CB-CG2 4.46Å; A305-I775 HydrophobicContact CB-CG1 4.26Å; A305-L792 HydrophobicContact CB-CD1 3.76Å
306A83.5Confident79.5Confident6 Ų620 Ų205%0.0512%0.115CC..Hα-helixtrans-82.7-24.9-175.700000113.9L260 I264 L302 V304 V772L260-A306 HydrophobicContact CD1-CB 4.39Å; L260-A306 WeakPolarHBondContact CD2-O 3.34Å; I264-A306 HydrophobicContact CD1-CB 3.47Å; I264-A306 VanDerWaalsContact CD1-CB 3.47Å; I264-A306 HydrophobicContact CG1-CB 3.38Å; L302-A306 WeakPolarHBondContact O-CB 3.47Å; L302-A306 PolarHBondContact O-N 3.23Å; L302-A306 VanDerWaalsContact O-N 3.13Å; V304-A306 PolarHBondContact O-N 3.18Å; V304-A306 VanDerWaalsContact O-N 3.07Å; A306-V772 HydrophobicContact CB-CG2 3.72Å
307I83.5Confident80.3Confident9 Ų917.8 Ų17.85%0.04611%0.111CC..SBendtrans-95125.3-170.8-63.2171.2000109.2L61 I64 L65 I264 A303 V304 E309 N768L61-I307 HydrophobicContact CD2-CD1 4.47Å; L61-I307 HydrophobicContact CD2-CG1 4.34Å; I64-I307 HydrophobicContact CG2-CD1 4.17Å; L65-I307 HydrophobicContact CD1-CD1 4.18Å; L65-I307 HydrophobicContact CD1-CG2 3.95Å; L65-I307 HydrophobicContact CD2-CD1 4.06Å; L65-I307 HydrophobicContact CG-CD1 3.64Å; I264-I307 HydrophobicContact CD1-CD1 4.44Å; I264-I307 HydrophobicContact CD1-CG1 4Å; A303-I307 WeakPolarHBondContact O-CD1 3.16Å; A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.44Å; V304-I307 PolarHBondContact O-N 3.24Å; I307-E309 HydrophobicContact CG2-CG 4.2Å; I307-E309 PolarHBondContact O-N 3.07Å; I307-N768 PolarHBondContact O-ND2 3.3Å
308P83.1Confident81.2Confident13 Ų1314.9 Ų14.98%0.08410%0.098CC..  trans-80.980.2177.932.2-35.3000110.8F256 G310 L311 N768F256-P308 HydrophobicContact CE1-CG 4.44Å; P308-G310 VanDerWaalsContact C-N 3.26Å; P308-G310 PolarHBondContact O-N 3.44Å; P308-L311 HydrophobicContact CB-CB 4.04Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD2 4.12Å; P308-L311 VanDerWaalsContact O-CB 3.23Å; P308-L311 WeakPolarHBondContact O-CB 3.06Å; P308-L311 PolarHBondContact O-N 3.43Å; P308-N768 WeakPolarHBondContact CB-OD1 3.4Å
309E82.6Confident81.9Confident6 Ų614.9 Ų14.93%0.02810%0.098CC..THydrogen-bonded Turntrans-66-27.4-170.6-53.790.7164.600113.8L65 I97 I307 L311 P312 L793 N796L65-E309 HydrophobicContact CD1-CG 4.18Å; I97-E309 HydrophobicContact CG2-CB 4.21Å; I307-E309 HydrophobicContact CG2-CG 4.2Å; I307-E309 PolarHBondContact O-N 3.07Å; E309-L311 VanDerWaalsContact C-N 3.25Å; E309-L311 PolarHBondContact O-N 2.96Å; E309-P312 WeakPolarHBondContact O-CD 3.49Å; E309-L793 HydrophobicContact CG-CD2 4.3Å; E309-L793 WeakPolarHBondContact OE1-CD2 3.33Å; E309-N796 WeakPolarHBondContact OE2-CB 3.47Å; E309-N796 PolarHBondContact OE2-ND2 2.9Å
310G82.4Confident82.6Confident1 Ų116 Ų161%0.0111%0.108CC..THydrogen-bonded Turntrans-72.4-15.5175.600000113.9P308 A313 V314P308-G310 VanDerWaalsContact C-N 3.26Å; P308-G310 PolarHBondContact O-N 3.44Å; G310-A313 PolarHBondContact O-N 3.45Å; G310-V314 WeakPolarHBondContact O-CG2 3.32Å; G310-V314 PolarHBondContact O-N 3.45Å
311L85.7Confident83.3Confident11 Ų1118.3 Ų18.36%0.05812%0.12CC..Hα-helixtrans-62-47.1-169.7179.563.9000113.9L253 P308 E309 A313 V314 I315 F760 I761 L764L253-L311 HydrophobicContact CD2-CD2 3.97Å; P308-L311 HydrophobicContact CB-CB 4.04Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD2 4.12Å; P308-L311 VanDerWaalsContact O-CB 3.23Å; P308-L311 WeakPolarHBondContact O-CB 3.06Å; P308-L311 PolarHBondContact O-N 3.43Å; E309-L311 VanDerWaalsContact C-N 3.25Å; E309-L311 PolarHBondContact O-N 2.96Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 2.81Å; L311-V314 PolarHBondContact O-N 2.81Å; L311-I315 HydrophobicContact CD1-CD1 3.78Å; L311-I315 HydrophobicContact CD1-CG1 3.89Å; L311-I315 HydrophobicContact CD2-CD1 4.38Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 2.97Å; L311-F760 HydrophobicContact CD1-CD2 4.31Å; L311-F760 HydrophobicContact CD1-CE2 4.01Å; L311-I761 HydrophobicContact CD1-CG1 3.7Å; L311-L764 HydrophobicContact CB-CD1 4.21Å; L311-L764 HydrophobicContact CD1-CD1 3.85Å
312P82Confident84Confident63 Ų6318 Ų1841%0.40912%0.117SC..Hα-helixtrans-58.9-39177.5-25.235.8000113E309 T316E309-P312 WeakPolarHBondContact O-CD 3.49Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.23Å; P312-T316 PolarHBondContact O-N 3.33Å; P312-T316 PolarHBondContact O-OG1 2.83Å
313A84.2Confident84.4Confident41 Ų4119 Ų1934%0.33912%0.123SC..Hα-helixtrans-67.4-42.8178.700000111.7G310 L311 T316 T317G310-A313 PolarHBondContact O-N 3.45Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 2.81Å; A313-T316 PolarHBondContact O-N 3.1Å; A313-T317 WeakPolarHBondContact O-CB 3.43Å; A313-T317 PolarHBondContact O-N 3.42Å; A313-T317 PolarHBondContact O-OG1 2.73Å
314V89.4Confident84.8Confident4 Ų426.9 Ų26.92%0.02415%0.152CC..Hα-helixtrans-65.2-46.5177.4176.10000111.3G310 L311 T316 T317 C318 F760 L764 A804G310-V314 WeakPolarHBondContact O-CG2 3.32Å; G310-V314 PolarHBondContact O-N 3.45Å; L311-V314 PolarHBondContact O-N 2.81Å; V314-T316 PolarHBondContact O-N 3.27Å; V314-T317 PolarHBondContact O-N 3.07Å; V314-C318 WeakPolarHBondContact O-CB 2.93Å; V314-C318 PolarHBondContact O-N 2.88Å; V314-F760 HydrophobicContact CB-CE2 4.45Å; V314-F760 HydrophobicContact CG1-CD1 4.32Å; V314-F760 HydrophobicContact CG1-CD2 3.7Å; V314-F760 HydrophobicContact CG1-CE1 4.21Å; V314-F760 HydrophobicContact CG1-CE2 3.68Å; V314-F760 HydrophobicContact CG1-CG 4.08Å; V314-F760 HydrophobicContact CG1-CZ 3.95Å; V314-L764 HydrophobicContact CG2-CD1 4.46Å; V314-A804 HydrophobicContact CG1-CB 3.91Å; V314-A804 HydrophobicContact CG2-CB 4.06Å
315I87.8Confident85.3Confident18 Ų1830.3 Ų30.39%0.09216%0.164CC..Hα-helixtrans-57.8-50.9176.2-69.2173.1000110L253 L311 T317 C318 L319 F760L253-I315 HydrophobicContact CD1-CD1 3.69Å; L253-I315 HydrophobicContact CD2-CD1 4.41Å; L311-I315 HydrophobicContact CD1-CD1 3.78Å; L311-I315 HydrophobicContact CD1-CG1 3.89Å; L311-I315 HydrophobicContact CD2-CD1 4.38Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 2.97Å; I315-T317 VanDerWaalsContact C-N 3.31Å; I315-T317 PolarHBondContact O-N 2.87Å; I315-C318 PolarHBondContact O-N 3.34Å; I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.14Å; I315-L319 WeakPolarHBondContact O-CB 3.21Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.47Å; I315-L319 PolarHBondContact O-N 2.8Å; I315-F760 HydrophobicContact CG1-CE2 3.76Å; I315-F760 HydrophobicContact CG1-CZ 3.95Å
316T84.6Confident85.7Confident22 Ų2230.3 Ų30.314%0.13517%0.165CC..Hα-helixtrans-56.4-45.9179.6-60.20000111.8V104 Q108 P312 A313 V314 L319 A320 L336V104-T316 HydrophobicContact CG1-CG2 4.29Å; Q108-T316 PolarHBondContact NE2-OG1 3.14Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.23Å; P312-T316 PolarHBondContact O-N 3.33Å; P312-T316 PolarHBondContact O-OG1 2.83Å; A313-T316 PolarHBondContact O-N 3.1Å; V314-T316 PolarHBondContact O-N 3.27Å; T316-L319 PolarHBondContact O-N 2.91Å; T316-A320 VanDerWaalsContact O-CB 3.27Å; T316-A320 WeakPolarHBondContact O-CB 3.3Å; T316-A320 PolarHBondContact O-N 3.46Å; T316-L336 HydrophobicContact CG2-CD1 4.45Å
317T87Confident86Confident60 Ų6032.3 Ų32.337%0.36818%0.181SC..Hα-helixtrans-63.6-45.6179.4-570000111.2A313 V314 I315 A320 L321 T805A313-T317 WeakPolarHBondContact O-CB 3.43Å; A313-T317 PolarHBondContact O-N 3.42Å; A313-T317 PolarHBondContact O-OG1 2.73Å; V314-T317 PolarHBondContact O-N 3.07Å; I315-T317 VanDerWaalsContact C-N 3.31Å; I315-T317 PolarHBondContact O-N 2.87Å; T317-A320 PolarHBondContact O-N 3.47Å; T317-L321 HydrophobicContact CG2-CD1 3.9Å; T317-L321 WeakPolarHBondContact O-CB 3.02Å; T317-L321 WeakPolarHBondContact O-CD1 3.47Å; T317-L321 VanDerWaalsContact O-CG 3.22Å; T317-L321 WeakPolarHBondContact O-CG 3.25Å; T317-L321 PolarHBondContact O-N 3.48Å; T317-T805 HydrophobicContact CG2-CG2 3.74Å
318C89Confident86.2Confident4 Ų439.9 Ų39.93%0.02721%0.213CC..Hα-helixtrans-62.2-46.5178.3-1760000111.8V314 I315 L321 G322 F760V314-C318 WeakPolarHBondContact O-CB 2.93Å; V314-C318 PolarHBondContact O-N 2.88Å; I315-C318 PolarHBondContact O-N 3.34Å; C318-L321 PolarHBondContact O-N 3.24Å; C318-G322 PolarHBondContact O-N 3.49Å; C318-F760 HydrophobicContact CB-CE1 3.89Å; C318-F760 HydrophobicContact CB-CZ 4.23Å
319L88.3Confident86.5Confident11 Ų1143.2 Ų43.26%0.05823%0.227CC..Hα-helixtrans-63.7-43.5177.3-67.1174.9000111.6I315 T316 L321 G322 T323 L336 V339 I753 M757I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.14Å; I315-L319 WeakPolarHBondContact O-CB 3.21Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.47Å; I315-L319 PolarHBondContact O-N 2.8Å; T316-L319 PolarHBondContact O-N 2.91Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.68Å; L319-G322 CarbonylContact O-C 3.47Å; L319-G322 WeakPolarHBondContact O-CA 3.07Å; L319-G322 PolarHBondContact O-N 2.98Å; L319-G322 VanDerWaalsContact O-N 3.15Å; L319-T323 PolarHBondContact O-N 2.91Å; L319-T323 PolarHBondContact O-OG1 3.13Å; L319-T323 VanDerWaalsContact O-OG1 3.11Å; L319-L336 HydrophobicContact CB-CB 4.12Å; L319-L336 HydrophobicContact CD1-CB 4.33Å; L319-V339 HydrophobicContact CD2-CB 4.07Å; L319-V339 HydrophobicContact CD2-CG1 4.37Å; L319-I753 HydrophobicContact CD2-CG2 4.29Å; L319-M757 HydrophobicContact CD2-CE 4.27Å; L319-M757 HydrophobicContact CD2-SD 3.76Å; L319-M757 HydrophobicContact CG-SD 4.21Å
320A86.1Confident86.9Confident46 Ų4646.3 Ų46.338%0.3824%0.244SC..Hα-helixtrans-61.3-40.4177.600000112.4T316 T317 R324T316-A320 VanDerWaalsContact O-CB 3.27Å; T316-A320 WeakPolarHBondContact O-CB 3.3Å; T316-A320 PolarHBondContact O-N 3.46Å; T317-A320 PolarHBondContact O-N 3.47Å; A320-R324 PolarHBondContact O-N 2.83Å; A320-R324 VanDerWaalsContact O-N 3.1Å
321L85.6Confident87.5Confident53 Ų5346.3 Ų46.328%0.27724%0.243SC..Hα-helixtrans-68.6-38.6174.5-70.1163000111.9T317 C318 L319 R324 R325 F809T317-L321 HydrophobicContact CG2-CD1 3.9Å; T317-L321 WeakPolarHBondContact O-CB 3.02Å; T317-L321 WeakPolarHBondContact O-CD1 3.47Å; T317-L321 VanDerWaalsContact O-CG 3.22Å; T317-L321 WeakPolarHBondContact O-CG 3.25Å; T317-L321 PolarHBondContact O-N 3.48Å; C318-L321 PolarHBondContact O-N 3.24Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.68Å; L321-R324 PolarHBondContact O-N 3.02Å; L321-R325 PolarHBondContact O-N 2.68Å; L321-F809 HydrophobicContact CD1-CE1 4.05Å; L321-F809 HydrophobicContact CD1-CE2 3.86Å; L321-F809 HydrophobicContact CD1-CZ 3.29Å; L321-F809 HydrophobicContact CD2-CZ 4.26Å; L321-F809 HydrophobicContact CG-CZ 4.28Å
322G87.1Confident87.7Confident0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-56.6-51.617100000112.5C318 L319 R324 R325 M326 I753C318-G322 PolarHBondContact O-N 3.49Å; L319-G322 CarbonylContact O-C 3.47Å; L319-G322 WeakPolarHBondContact O-CA 3.07Å; L319-G322 PolarHBondContact O-N 2.98Å; L319-G322 VanDerWaalsContact O-N 3.15Å; G322-R324 VanDerWaalsContact C-N 3.26Å; G322-R324 PolarHBondContact O-N 2.88Å; G322-R325 WeakPolarHBondContact O-CA 3.45Å; G322-R325 WeakPolarHBondContact O-CB 3.48Å; G322-R325 PolarHBondContact O-N 3.4Å; G322-M326 PolarHBondContact O-N 2.96Å; G322-I753 VanDerWaalsContact CA-CD1 3.48Å
323T86.4Confident88.1Confident24 Ų2447.4 Ų47.415%0.14725%0.245CC..Hα-helixtrans-55.4-41.2174.7-62.60000111.7L319 R325 M326 A327 V333 L336 V339L319-T323 PolarHBondContact O-N 2.91Å; L319-T323 PolarHBondContact O-OG1 3.13Å; L319-T323 VanDerWaalsContact O-OG1 3.11Å; T323-R325 PolarHBondContact O-N 2.92Å; T323-M326 PolarHBondContact O-N 3.35Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.92Å; T323-V333 HydrophobicContact CG2-CB 3.95Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.26Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.45Å
324R85.1Confident88.1Confident172 Ų17249.9 Ų49.965%0.64925%0.246SC*.Hα-helixtrans-66.3-34.7176.3-168.4178.6179-168.70.8112.8A320 L321 G322 K328A320-R324 PolarHBondContact O-N 2.83Å; A320-R324 VanDerWaalsContact O-N 3.1Å; L321-R324 PolarHBondContact O-N 3.02Å; G322-R324 VanDerWaalsContact C-N 3.26Å; G322-R324 PolarHBondContact O-N 2.88Å; R324-K328 PolarHBondContact O-N 3.47Å
325R86.5Confident87.8Confident72 Ų7251.5 Ų51.527%0.27226%0.258SS..Hα-helixtrans-68.6-44.9173.7-75.4-172.6-77.3169.6-11.4111.4L321 G322 T323 A327 K328 K329 E749L321-R325 PolarHBondContact O-N 2.68Å; G322-R325 WeakPolarHBondContact O-CA 3.45Å; G322-R325 WeakPolarHBondContact O-CB 3.48Å; G322-R325 PolarHBondContact O-N 3.4Å; T323-R325 PolarHBondContact O-N 2.92Å; R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 2.98Å; R325-K328 WeakPolarHBondContact O-CB 3.46Å; R325-K328 PolarHBondContact O-N 2.98Å; R325-K329 PolarHBondContact O-N 2.77Å; R325-E749 WeakPolarHBondContact CD-OE1 3.45Å; R325-E749 IonicContact CZ-OE1 3.64Å; R325-E749 IonicContact NE-OE1 3.15Å; R325-E749 PolarHBondContact NE-OE1 3.32Å; R325-E749 IonicContact NH1-OE1 3.88Å; R325-E749 PolarHBondContact NH1-OE1 2.93Å; R325-E749 IonicContact NH2-OE1 2.79Å
326M90.3Very high87.5Confident1 Ų152.6 Ų52.61%0.00526%0.263CS..Hα-helixtrans-61.1-41.5175.6-71.8-176.9177.100111.9G322 T323 K328 K329 N330 A331 V333 V339 A746 E749 I753G322-M326 PolarHBondContact O-N 2.96Å; T323-M326 PolarHBondContact O-N 3.35Å; M326-K328 VanDerWaalsContact C-N 3.28Å; M326-K328 PolarHBondContact O-N 2.76Å; M326-K329 CarbonylContact O-C 3.56Å; M326-K329 VanDerWaalsContact O-C 3.29Å; M326-K329 VanDerWaalsContact O-CA 3.31Å; M326-K329 WeakPolarHBondContact O-CA 3.32Å; M326-K329 WeakPolarHBondContact O-CB 3.47Å; M326-K329 PolarHBondContact O-N 3.06Å; M326-N330 PolarHBondContact O-N 3.16Å; M326-A331 CarbonylContact C-O 3.53Å; M326-A331 HydrophobicContact CB-CB 4.02Å; M326-A331 PolarHBondContact O-N 3.38Å; M326-V333 HydrophobicContact CB-CG2 4.27Å; M326-V333 HydrophobicContact SD-CG2 3.56Å; M326-V333 VanDerWaalsContact SD-CG2 3.56Å; M326-V339 HydrophobicContact CE-CB 4.25Å; M326-V339 HydrophobicContact CE-CG1 3.43Å; M326-V339 VanDerWaalsContact CE-CG1 3.43Å; M326-V339 HydrophobicContact SD-CB 4.47Å; M326-V339 HydrophobicContact SD-CG1 4.02Å; M326-V339 HydrophobicContact SD-CG2 4.15Å; M326-A746 WeakPolarHBondContact CE-O 3.39Å; M326-E749 HydrophobicContact CE-CB 3.79Å; M326-E749 HydrophobicContact CE-CG 3.92Å; M326-E749 HydrophobicContact CG-CB 4.31Å; M326-E749 HydrophobicContact CG-CG 3.96Å; M326-I753 HydrophobicContact CE-CD1 4.23Å
327A88.6Confident87.6Confident47 Ų4752.6 Ų52.639%0.38826%0.264SS..Hα-helixtrans-61.2-35.1177.800000112.7T323 R325 K329 N330 A331T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.92Å; R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 2.98Å; A327-K329 PolarHBondContact O-N 2.56Å; A327-N330 PolarHBondContact O-N 3.13Å; A327-N330 VanDerWaalsContact O-N 3.1Å; A327-A331 VanDerWaalsContact CA-O 3.27Å; A327-A331 WeakPolarHBondContact CA-O 3.3Å; A327-A331 PolarHBondContact N-O 2.97Å; A327-A331 VanDerWaalsContact N-O 3.09Å
328K89.2Confident87.6Confident168 Ų16850 Ų5073%0.7325%0.248SC*.Hα-helixtrans-66.6-22.3172.8-71.7-179.8177.3-178.20113.2R324 R325 M326 N330R324-K328 PolarHBondContact O-N 3.47Å; R325-K328 WeakPolarHBondContact O-CB 3.46Å; R325-K328 PolarHBondContact O-N 2.98Å; M326-K328 VanDerWaalsContact C-N 3.28Å; M326-K328 PolarHBondContact O-N 2.76Å; K328-N330 VanDerWaalsContact C-N 3.34Å
329K88.8Confident87.6Confident84 Ų8449.8 Ų49.837%0.36525%0.247SC..THydrogen-bonded Turntrans-96.421.3173.3-63.1178174174.50111.7R325 M326 A327 A331 T742 A745 E749R325-K329 PolarHBondContact O-N 2.77Å; M326-K329 CarbonylContact O-C 3.56Å; M326-K329 VanDerWaalsContact O-C 3.29Å; M326-K329 VanDerWaalsContact O-CA 3.31Å; M326-K329 WeakPolarHBondContact O-CA 3.32Å; M326-K329 WeakPolarHBondContact O-CB 3.47Å; M326-K329 PolarHBondContact O-N 3.06Å; A327-K329 PolarHBondContact O-N 2.56Å; K329-A331 PolarHBondContact O-N 3.1Å; K329-T742 WeakPolarHBondContact O-CG2 3.29Å; K329-A745 HydrophobicContact CD-CB 4.45Å; K329-E749 IonicContact NZ-OE2 3.65Å; K329-E749 PolarHBondContact NZ-OE2 3.25Å
330N91.6Very high87.6Confident71 Ų7149.4 Ų49.438%0.3824%0.244SC..THydrogen-bonded Turntrans67.210.1-179.6-52.7-37.8000116.1M326 A327 K328 A736 D737 T742M326-N330 PolarHBondContact O-N 3.16Å; A327-N330 PolarHBondContact O-N 3.13Å; A327-N330 VanDerWaalsContact O-N 3.1Å; K328-N330 VanDerWaalsContact C-N 3.34Å; N330-A736 HydrophobicContact CB-CB 4.16Å; N330-A736 WeakPolarHBondContact O-CB 3.32Å; N330-A736 PolarHBondContact O-N 3.09Å; N330-D737 HydrophobicContact CB-CB 4.04Å; N330-D737 PolarHBondContact ND2-OD2 3.18Å; N330-T742 HydrophobicContact CB-CG2 4.33Å
331A93.6Very high87.8Confident1 Ų147.3 Ų47.31%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-97.1104.5174.100000110.4M326 A327 K329 V333 M733 T742 A746M326-A331 CarbonylContact C-O 3.53Å; M326-A331 HydrophobicContact CB-CB 4.02Å; M326-A331 PolarHBondContact O-N 3.38Å; A327-A331 VanDerWaalsContact CA-O 3.27Å; A327-A331 WeakPolarHBondContact CA-O 3.3Å; A327-A331 PolarHBondContact N-O 2.97Å; A327-A331 VanDerWaalsContact N-O 3.09Å; K329-A331 PolarHBondContact O-N 3.1Å; A331-V333 PolarHBondContact O-N 3.37Å; A331-M733 HydrophobicContact CB-CG 4.5Å; A331-M733 HydrophobicContact CB-SD 3.86Å; A331-T742 HydrophobicContact CB-CG2 3.86Å; A331-A746 HydrophobicContact CB-CB 4.17Å
332I91.8Very high88.1Confident83 Ų8344.9 Ų44.943%0.42621%0.214SC..EExtended strand (participates in β ladder)trans-90102.5179-56.4174.5000108.6M733 V734 A736I332-M733 CarbonylContact O-C 3.57Å; I332-M733 WeakPolarHBondContact O-CA 3.27Å; I332-V734 HydrophobicContact CB-CB 4.27Å; I332-V734 PolarHBondContact N-O 3.2Å; I332-V734 PolarHBondContact O-N 3.34Å; I332-A736 HydrophobicContact CD1-CB 3.94Å; I332-A736 HydrophobicContact CG1-CB 4.27Å
333V89.4Confident88.2Confident13 Ų1345 Ų458%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-84.4127.2176.5-172.80000110T323 M326 A331 S335 V339 M733T323-V333 HydrophobicContact CG2-CB 3.95Å; M326-V333 HydrophobicContact CB-CG2 4.27Å; M326-V333 HydrophobicContact SD-CG2 3.56Å; M326-V333 VanDerWaalsContact SD-CG2 3.56Å; A331-V333 PolarHBondContact O-N 3.37Å; V333-S335 WeakPolarHBondContact CG1-O 3.12Å; V333-V339 HydrophobicContact CB-CG2 4.3Å; V333-V339 HydrophobicContact CG1-CG2 3.84Å; V333-V339 HydrophobicContact CG2-CG2 4.18Å; V333-M733 HydrophobicContact CG2-CG 4.41Å
334R85.1Confident88.6Confident93 Ų9343.9 Ų43.935%0.35121%0.209SC..SBendtrans-92-33.9-179.6-67.3-177.252.1134.76.7112.7K728 S731 E732 V734R334-K728 WeakPolarHBondContact CD-O 3.4Å; R334-K728 VanDerWaalsContact CZ-O 3.28Å; R334-K728 PolarHBondContact NE-O 3.37Å; R334-K728 VanDerWaalsContact NH1-C 3.26Å; R334-K728 PolarHBondContact NH1-O 3.49Å; R334-S731 WeakPolarHBondContact CD-O 3.45Å; R334-E732 WeakPolarHBondContact CB-O 3.45Å; R334-E732 PolarHBondContact N-O 3.38Å; R334-V734 HydrophobicContact CG-CG2 4.4Å
335S81.7Confident89.1Confident39 Ų3935.7 Ų35.727%0.27318%0.178SC..SBendtrans-114.7119.9179.2178.90000110.1V333 P337 S338V333-S335 WeakPolarHBondContact CG1-O 3.12Å; S335-P337 WeakPolarHBondContact OG-CD 3.38Å; S335-S338 WeakPolarHBondContact CB-OG 3.4Å; S335-S338 VanDerWaalsContact O-CB 3.32Å; S335-S338 WeakPolarHBondContact O-CB 3.25Å; S335-S338 PolarHBondContact O-N 2.74Å; S335-S338 VanDerWaalsContact O-N 3.13Å; S335-S338 PolarHBondContact O-OG 2.99Å
336L82.9Confident89.6Confident40 Ų4033 Ų3321%0.20917%0.17CC..THydrogen-bonded Turntrans-57.8-44.1-175.4-65.9-179.6000113.3T316 L319 T323 S338 V339T316-L336 HydrophobicContact CG2-CD1 4.45Å; L319-L336 HydrophobicContact CB-CB 4.12Å; L319-L336 HydrophobicContact CD1-CB 4.33Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.26Å; L336-S338 PolarHBondContact O-N 2.73Å; L336-V339 WeakPolarHBondContact O-CG2 3.41Å; L336-V339 PolarHBondContact O-N 3.27Å
337P85.2Confident90Very high23 Ų2333 Ų3315%0.14917%0.17CC..THydrogen-bonded Turntrans-59.1-28.3177.4-26.937000113.9T247 S335 V339 E340T247-P337 HydrophobicContact CG2-CB 3.48Å; T247-P337 VanDerWaalsContact CG2-CB 3.48Å; S335-P337 WeakPolarHBondContact OG-CD 3.38Å; P337-V339 PolarHBondContact O-N 2.89Å; P337-V339 VanDerWaalsContact O-N 3.16Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.94Å
338S88.1Confident90.4Very high5 Ų530.7 Ų30.74%0.03515%0.151CC..Hα-helixtrans-65.6-20.6-176.7-53.40000113.9S335 L336 E340 T341 L342 I716 E732S335-S338 WeakPolarHBondContact CB-OG 3.4Å; S335-S338 VanDerWaalsContact O-CB 3.32Å; S335-S338 WeakPolarHBondContact O-CB 3.25Å; S335-S338 PolarHBondContact O-N 2.74Å; S335-S338 VanDerWaalsContact O-N 3.13Å; S335-S338 PolarHBondContact O-OG 2.99Å; L336-S338 PolarHBondContact O-N 2.73Å; S338-E340 PolarHBondContact O-N 2.98Å; S338-T341 PolarHBondContact O-N 3.48Å; S338-L342 WeakPolarHBondContact O-CB 3.49Å; S338-L342 PolarHBondContact O-N 3.34Å; S338-I716 VanDerWaalsContact O-CD1 3.3Å; S338-I716 WeakPolarHBondContact O-CD1 3.34Å; S338-E732 VanDerWaalsContact OG-CB 3.31Å; S338-E732 WeakPolarHBondContact OG-CB 3.47Å; S338-E732 WeakPolarHBondContact OG-CG 3.36Å
339V88.4Confident90.7Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-56.7-39.1171.41780000110.8L319 T323 M326 V333 L336 P337 G750 I753L319-V339 HydrophobicContact CD2-CB 4.07Å; L319-V339 HydrophobicContact CD2-CG1 4.37Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.45Å; M326-V339 HydrophobicContact CE-CB 4.25Å; M326-V339 HydrophobicContact CE-CG1 3.43Å; M326-V339 VanDerWaalsContact CE-CG1 3.43Å; M326-V339 HydrophobicContact SD-CB 4.47Å; M326-V339 HydrophobicContact SD-CG1 4.02Å; M326-V339 HydrophobicContact SD-CG2 4.15Å; V333-V339 HydrophobicContact CB-CG2 4.3Å; V333-V339 HydrophobicContact CG1-CG2 3.84Å; V333-V339 HydrophobicContact CG2-CG2 4.18Å; L336-V339 WeakPolarHBondContact O-CG2 3.41Å; L336-V339 PolarHBondContact O-N 3.27Å; P337-V339 PolarHBondContact O-N 2.89Å; P337-V339 VanDerWaalsContact O-N 3.16Å; V339-G750 VanDerWaalsContact O-CA 3.23Å; V339-G750 WeakPolarHBondContact O-CA 3.46Å; V339-I753 HydrophobicContact CG1-CB 4.39Å; V339-I753 HydrophobicContact CG1-CD1 3.31Å; V339-I753 HydrophobicContact CG1-CG1 4.43Å; V339-I753 HydrophobicContact CG1-CG2 4.2Å
340E88.4Confident90.9Very high2 Ų218.7 Ų18.71%0.00910%0.099CC..Hα-helixtrans-72.7-52.1179.1-174.3-94.1157.700111.8L249 P337 S338 L342 G343 Y754 M757 R822L249-E340 VanDerWaalsContact CB-CD 3.5Å; L249-E340 HydrophobicContact CB-CG 3.94Å; L249-E340 WeakPolarHBondContact CB-OE2 2.81Å; L249-E340 HydrophobicContact CD2-CG 4.11Å; L249-E340 PolarHBondContact N-OE2 3.31Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.94Å; S338-E340 PolarHBondContact O-N 2.98Å; E340-L342 PolarHBondContact O-N 3.19Å; E340-L342 VanDerWaalsContact O-N 3.13Å; E340-G343 WeakPolarHBondContact O-CA 3.42Å; E340-G343 PolarHBondContact O-N 2.94Å; E340-Y754 HydrophobicContact CG-CD2 3.75Å; E340-Y754 VanDerWaalsContact OE1-CD2 3.29Å; E340-Y754 WeakPolarHBondContact OE1-CD2 3.41Å; E340-M757 HydrophobicContact CB-CE 3.77Å; E340-M757 HydrophobicContact CG-CE 3.51Å; E340-R822 IonicContact OE1-NH2 2.77Å; E340-R822 PolarHBondContact OE1-NH2 3.33Å
341T90.4Very high90.7Very high3 Ų315.8 Ų15.82%0.0188%0.084CC..Hα-helixtrans-56.2-33.1-179-54.20000111.3T247 S338 G343 C344 T345 I697 E715 I716T247-T341 WeakPolarHBondContact CB-OG1 3.46Å; T247-T341 WeakPolarHBondContact CG2-OG1 3.42Å; S338-T341 PolarHBondContact O-N 3.48Å; T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 3.17Å; T341-C344 PolarHBondContact O-N 3.45Å; T341-T345 PolarHBondContact O-N 2.76Å; T341-I697 HydrophobicContact CG2-CG2 3.82Å; T341-E715 HydrophobicContact CG2-CB 3.8Å; T341-I716 HydrophobicContact CG2-CD1 3.71Å; T341-I716 HydrophobicContact CG2-CG1 3.83Å
342L91.5Very high90.3Very high1 Ų116.1 Ų16.11%0.0059%0.085CC..Hα-helixtrans-58.9-36.6175.2-127.1125.2000112.3S338 E340 C344 T345 I716 M733 A746 V747S338-L342 WeakPolarHBondContact O-CB 3.49Å; S338-L342 PolarHBondContact O-N 3.34Å; E340-L342 PolarHBondContact O-N 3.19Å; E340-L342 VanDerWaalsContact O-N 3.13Å; L342-C344 VanDerWaalsContact C-N 3.25Å; L342-C344 PolarHBondContact O-N 3.26Å; L342-T345 VanDerWaalsContact O-CB 3.29Å; L342-T345 WeakPolarHBondContact O-CB 3.19Å; L342-T345 PolarHBondContact O-N 3.38Å; L342-T345 PolarHBondContact O-OG1 3.19Å; L342-I716 HydrophobicContact CB-CD1 4.4Å; L342-I716 HydrophobicContact CD1-CD1 4.06Å; L342-I716 HydrophobicContact CD1-CG1 4.45Å; L342-I716 HydrophobicContact CD1-CG2 3.72Å; L342-I716 HydrophobicContact CG-CD1 4.39Å; L342-I716 HydrophobicContact CG-CG1 4.46Å; L342-I716 HydrophobicContact CG-CG2 4.26Å; L342-M733 HydrophobicContact CD1-CE 3.84Å; L342-M733 HydrophobicContact CD1-SD 3.77Å; L342-M733 HydrophobicContact CD2-CE 4.33Å; L342-A746 HydrophobicContact CD2-CB 3.48Å; L342-A746 VanDerWaalsContact CD2-CB 3.48Å; L342-V747 HydrophobicContact CD2-CB 4.29Å; L342-V747 HydrophobicContact CD2-CG2 3.67Å; L342-V747 VanDerWaalsContact CD2-N 3.29Å
343G90.1Very high89.6Confident3 Ų313.1 Ų13.13%0.0317%0.07CC..Hα-helixtrans-66.5-26.2176.300000113.9E340 T341 R751E340-G343 WeakPolarHBondContact O-CA 3.42Å; E340-G343 PolarHBondContact O-N 2.94Å; T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 3.17Å; G343-R751 VanDerWaalsContact O-CG 3.23Å; G343-R751 WeakPolarHBondContact O-CG 3.36Å; G343-R751 PolarHBondContact O-NE 3.36Å
344C93.4Very high88.9Confident1 Ų112.8 Ų12.81%0.0077%0.069CC..THydrogen-bonded Turntrans-89.70.1178-60.30000113.2T341 L342 S346 I697 R822T341-C344 PolarHBondContact O-N 3.45Å; L342-C344 VanDerWaalsContact C-N 3.25Å; L342-C344 PolarHBondContact O-N 3.26Å; C344-S346 PolarHBondContact O-N 2.82Å; C344-I697 HydrophobicContact CB-CG1 4.14Å; C344-I697 HydrophobicContact CB-CG2 4.48Å; C344-I697 WeakPolarHBondContact O-CB 3.47Å; C344-R822 PolarHBondContact SG-NE 3.46Å
345T96.4Very high88.5Confident0 Ų08.3 Ų8.30%05%0.053CC..  trans-58.7122.3-175.5-63.50000110.9T341 L342 I348 A699T341-T345 PolarHBondContact O-N 2.76Å; L342-T345 VanDerWaalsContact O-CB 3.29Å; L342-T345 WeakPolarHBondContact O-CB 3.19Å; L342-T345 PolarHBondContact O-N 3.38Å; L342-T345 PolarHBondContact O-OG1 3.19Å; T345-I348 HydrophobicContact CG2-CG1 3.76Å; T345-A699 HydrophobicContact CG2-CB 3.72Å
346S96.9Very high88.7Confident14 Ų146.5 Ų6.510%0.0984%0.04CC..  trans-107.9-26.6179.464.90000113.1C344 I619 R620 E696 I697C344-S346 PolarHBondContact O-N 2.82Å; S346-I619 WeakPolarHBondContact O-CA 3.49Å; S346-R620 PolarHBondContact O-N 3.03Å; S346-E696 WeakPolarHBondContact CB-OE2 3.49Å; S346-E696 WeakPolarHBondContact OG-CA 3.49Å; S346-E696 PolarHBondContact OG-OE2 2.78Å; S346-I697 PolarHBondContact N-O 2.84Å; S346-I697 PolarHBondContact OG-N 2.84Å; S346-I697 VanDerWaalsContact OG-N 3.16Å; S346-I697 PolarHBondContact OG-O 3.28Å
347V98Very high88.8Confident1 Ų14.6 Ų4.61%0.0063%0.03CC..EExtended strand (participates in β ladder)trans-131.2132176.9-174.70000110.3R620 I622 L691 E696 I697 T698 A699V347-R620 CarbonylContact C-O 3.52Å; V347-R620 VanDerWaalsContact CA-O 3.31Å; V347-R620 WeakPolarHBondContact CA-O 3.22Å; V347-R620 HydrophobicContact CG2-CB 4.4Å; V347-I622 HydrophobicContact CG1-CD1 3.65Å; V347-I622 HydrophobicContact CG1-CG1 3.93Å; V347-L691 HydrophobicContact CB-CD1 4.45Å; V347-L691 HydrophobicContact CG1-CD1 3.88Å; V347-L691 HydrophobicContact CG1-CD2 4.41Å; V347-L691 HydrophobicContact CG2-CD2 4.38Å; V347-E696 HydrophobicContact CG2-CB 4.14Å; V347-E696 HydrophobicContact CG2-CG 4.38Å; V347-I697 PolarHBondContact N-O 2.84Å; V347-T698 WeakPolarHBondContact O-CA 3.3Å; V347-A699 PolarHBondContact O-N 2.9Å
348I97.6Very high88.5Confident0 Ų04.5 Ų4.50%03%0.029CC..EExtended strand (participates in β ladder)trans-112.5106.9171.3-59172.5000108.5T345 I619 R620 V621 I622 A699 F740 I743T345-I348 HydrophobicContact CG2-CG1 3.76Å; I348-I619 HydrophobicContact CD1-CG2 3.83Å; I348-I619 HydrophobicContact CG1-CG2 3.8Å; I348-R620 PolarHBondContact N-O 3.03Å; I348-V621 CarbonylContact O-C 3.5Å; I348-V621 WeakPolarHBondContact O-CA 3.37Å; I348-I622 PolarHBondContact O-N 2.7Å; I348-A699 CarbonylContact C-O 3.55Å; I348-A699 WeakPolarHBondContact CA-O 3.33Å; I348-A699 HydrophobicContact CG1-CB 4.24Å; I348-F740 HydrophobicContact CD1-CZ 4.41Å; I348-F740 HydrophobicContact CG2-CE2 3.82Å; I348-F740 HydrophobicContact CG2-CZ 4.19Å; I348-I743 HydrophobicContact CD1-CG2 4.03Å
349C96.5Very high88Confident0 Ų06.8 Ų6.80%04%0.041CC..EExtended strand (participates in β ladder)trans-84.8113.5167.8-69.20000108.6I622 I624 L691 A699 M700 T701C349-I622 CarbonylContact C-O 3.56Å; C349-I622 WeakPolarHBondContact CA-O 3.46Å; C349-I624 HydrophobicContact CB-CD1 3.97Å; C349-L691 VanDerWaalsContact SG-CD1 3.59Å; C349-A699 PolarHBondContact N-O 3.38Å; C349-M700 HydrophobicContact CB-SD 3.43Å; C349-M700 WeakPolarHBondContact CB-SD 3.15Å; C349-M700 CarbonylContact O-C 3.58Å; C349-M700 WeakPolarHBondContact O-CA 3.17Å; C349-T701 PolarHBondContact O-N 3.47Å
350S91.9Very high87.7Confident0 Ų09.4 Ų9.40%05%0.053CC..EExtended strand (participates in β ladder)trans-120.7137.2-176.7-165.60000112.9T355 I622 M623 I624 T701S350-T355 WeakPolarHBondContact OG-CG2 3.36Å; S350-I622 PolarHBondContact N-O 2.99Å; S350-M623 WeakPolarHBondContact O-CA 3.48Å; S350-I624 PolarHBondContact O-N 3.01Å; S350-T701 WeakPolarHBondContact CA-OG1 3.17Å; S350-T701 PolarHBondContact OG-OG1 3.48Å
351D87.1Confident87.6Confident10 Ų1010.7 Ų10.75%0.0536%0.06CC..EExtended strand (participates in β ladder)trans-68.8147.5168.9-153.1-40.4000109.7T353 T355 L356 I624 K684 T701D351-T353 PolarHBondContact OD1-N 3.45Å; D351-T355 WeakPolarHBondContact O-CB 3.49Å; D351-L356 WeakPolarHBondContact O-CG 3.29Å; D351-I624 WeakPolarHBondContact CA-O 3.49Å; D351-K684 IonicContact OD2-NZ 3.93Å; D351-K684 PolarHBondContact OD2-NZ 3.21Å; D351-T701 PolarHBondContact N-OG1 2.98Å
352K85.3Confident87.7Confident8 Ų810.7 Ų10.74%0.0356%0.06CC..Iπ-helixtrans-75.4-53.1176.1-175.4-13256.8158.50111.4L356 T357 D601 M623 I624 D627 I635K352-L356 PolarHBondContact O-N 3.17Å; K352-T357 HydrophobicContact CD-CG2 4.22Å; K352-T357 HydrophobicContact CG-CG2 3.96Å; K352-T357 PolarHBondContact O-N 2.86Å; K352-T357 PolarHBondContact O-OG1 2.88Å; K352-D601 IonicContact NZ-OD2 3.16Å; K352-M623 HydrophobicContact CB-CG 4.07Å; K352-M623 HydrophobicContact CB-SD 4.02Å; K352-M623 HydrophobicContact CG-CE 4.35Å; K352-M623 HydrophobicContact CG-SD 3.99Å; K352-I624 PolarHBondContact N-O 3.01Å; K352-D627 WeakPolarHBondContact CD-OD2 3.34Å; K352-D627 WeakPolarHBondContact CE-OD2 3.41Å; K352-D627 IonicContact NZ-OD1 3.14Å; K352-D627 IonicContact NZ-OD2 3.51Å; K352-D627 PolarHBondContact NZ-OD2 2.79Å; K352-I635 HydrophobicContact CD-CD1 3.57Å; K352-I635 HydrophobicContact CG-CD1 4.29Å; K352-I635 HydrophobicContact CG-CG2 4.45Å
353T76.8Confident87.9Confident19 Ų1910.9 Ų10.912%0.1176%0.061CC..Iπ-helixtrans-76.2126.8-168.6-53.90000109.7D351 T355 T357 N359D351-T353 PolarHBondContact OD1-N 3.45Å; T353-T355 PolarHBondContact O-N 3.2Å; T353-T357 WeakPolarHBondContact CA-OG1 3.47Å; T353-N359 HydrophobicContact CG2-CB 3.96Å; T353-N359 VanDerWaalsContact CG2-CG 3.47Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.26Å
354G74.6Confident88Confident6 Ų612.3 Ų12.36%0.0627%0.07CC..Iπ-helixtrans80.5-26.817800000115.1T357 R604 M720G354-T357 CarbonylContact C-O 3.46Å; G354-T357 VanDerWaalsContact CA-O 3.31Å; G354-T357 WeakPolarHBondContact CA-O 3.21Å; G354-T357 PolarHBondContact N-O 2.85Å; G354-T357 PolarHBondContact N-OG1 3.44Å; G354-R604 PolarHBondContact O-NH2 3.44Å; G354-M720 WeakPolarHBondContact O-CE 3.5Å
355T78.4Confident88.2Confident0 Ų014.9 Ų14.90%08%0.081CC..Iπ-helixtrans-96.6-71176.9-44.90000112.2S350 D351 T353 T357 R604 T701 M720 F740S350-T355 WeakPolarHBondContact OG-CG2 3.36Å; D351-T355 WeakPolarHBondContact O-CB 3.49Å; T353-T355 PolarHBondContact O-N 3.2Å; T355-T357 VanDerWaalsContact C-N 3.27Å; T355-T357 PolarHBondContact O-N 2.86Å; T355-R604 WeakPolarHBondContact O-CD 3.45Å; T355-R604 PolarHBondContact O-NE 3.47Å; T355-R604 VanDerWaalsContact O-NE 3.14Å; T355-T701 HydrophobicContact CG2-CG2 4.39Å; T355-M720 HydrophobicContact CG2-CE 3.95Å; T355-M720 HydrophobicContact CG2-SD 3.78Å; T355-M720 PolarHBondContact OG1-SD 2.81Å; T355-F740 HydrophobicContact CG2-CD2 4.5Å
356L85.6Confident88.2Confident0 Ų014.9 Ų14.90%08%0.081CC..Iπ-helixtrans-73-25.2177.1-62.3174.2000112.3D351 K352 P603 R604 V607 M623 I639 F740D351-L356 WeakPolarHBondContact O-CG 3.29Å; K352-L356 PolarHBondContact O-N 3.17Å; L356-P603 WeakPolarHBondContact O-CA 3.44Å; L356-R604 PolarHBondContact O-N 3.01Å; L356-V607 HydrophobicContact CD2-CG1 3.82Å; L356-V607 HydrophobicContact CD2-CG2 4.45Å; L356-M623 HydrophobicContact CD1-CB 4.33Å; L356-M623 HydrophobicContact CD1-CE 3.66Å; L356-M623 HydrophobicContact CD1-CG 4Å; L356-I639 HydrophobicContact CD1-CD1 3.93Å; L356-I639 HydrophobicContact CD2-CD1 4.48Å; L356-F740 HydrophobicContact CD2-CB 4.37Å; L356-F740 HydrophobicContact CD2-CD2 3.66Å; L356-F740 HydrophobicContact CD2-CE2 4.08Å; L356-F740 HydrophobicContact CD2-CG 3.94Å
357T84.4Confident88.3Confident0 Ų014.2 Ų14.20%08%0.076CC..BIsolated β-bridgetrans-116.6164.517959.40000110.9K352 T353 G354 T355 N359 D601 P602 R604K352-T357 HydrophobicContact CD-CG2 4.22Å; K352-T357 HydrophobicContact CG-CG2 3.96Å; K352-T357 PolarHBondContact O-N 2.86Å; K352-T357 PolarHBondContact O-OG1 2.88Å; T353-T357 WeakPolarHBondContact CA-OG1 3.47Å; G354-T357 CarbonylContact C-O 3.46Å; G354-T357 VanDerWaalsContact CA-O 3.31Å; G354-T357 WeakPolarHBondContact CA-O 3.21Å; G354-T357 PolarHBondContact N-O 2.85Å; G354-T357 PolarHBondContact N-OG1 3.44Å; T355-T357 VanDerWaalsContact C-N 3.27Å; T355-T357 PolarHBondContact O-N 2.86Å; T357-N359 VanDerWaalsContact C-N 3.27Å; T357-N359 PolarHBondContact O-N 3Å; T357-D601 WeakPolarHBondContact CB-OD1 3.38Å; T357-D601 PolarHBondContact OG1-OD2 3.48Å; T357-P602 VanDerWaalsContact CA-O 3.3Å; T357-P602 WeakPolarHBondContact CA-O 3.43Å; T357-P602 WeakPolarHBondContact CB-O 3.39Å; T357-R604 PolarHBondContact O-NE 3.18Å
358T78.6Confident88.3Confident22 Ų2214.5 Ų14.514%0.1358%0.078CC..  trans-75.7-13-178.358.90000113.8Q360 S387 P602 R604T358-Q360 WeakPolarHBondContact O-CG 3.25Å; T358-Q360 PolarHBondContact O-N 3.11Å; T358-Q360 PolarHBondContact OG1-N 3.37Å; T358-S387 PolarHBondContact OG1-O 3.17Å; T358-P602 PolarHBondContact N-O 2.98Å; T358-R604 HydrophobicContact CG2-CG 4.03Å
359N76.8Confident88.3Confident53 Ų5314.7 Ų14.728%0.2838%0.078SC..SBendtrans54.428.5-166.1-163.514.2000112.4T353 T357 D601T353-N359 HydrophobicContact CG2-CB 3.96Å; T353-N359 VanDerWaalsContact CG2-CG 3.47Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.26Å; T357-N359 VanDerWaalsContact C-N 3.27Å; T357-N359 PolarHBondContact O-N 3Å; N359-D601 VanDerWaalsContact CA-OD1 3.23Å; N359-D601 WeakPolarHBondContact CA-OD1 3.48Å; N359-D601 PolarHBondContact N-OD1 3.47Å
360Q82.4Confident88.2Confident54 Ų5418.3 Ų18.325%0.25210%0.098SC..  trans-119.894.3179.7-60.5-165.117.300109.7T358 S362 Y389 D601 P602T358-Q360 WeakPolarHBondContact O-CG 3.25Å; T358-Q360 PolarHBondContact O-N 3.11Å; T358-Q360 PolarHBondContact OG1-N 3.37Å; Q360-S362 PolarHBondContact O-N 3.02Å; Q360-S362 VanDerWaalsContact O-N 3.11Å; Q360-S362 PolarHBondContact O-OG 2.72Å; Q360-Y389 HydrophobicContact CB-CD2 4.17Å; Q360-Y389 HydrophobicContact CB-CE2 3.99Å; Q360-Y389 HydrophobicContact CG-CD2 3.97Å; Q360-Y389 HydrophobicContact CG-CE2 3.88Å; Q360-D601 PolarHBondContact N-OD1 2.69Å; Q360-P602 VanDerWaalsContact O-CD 3.23Å; Q360-P602 WeakPolarHBondContact O-CD 3.48Å
361M88.1Confident88.3Confident30 Ų3023 Ų2315%0.14812%0.118CC..  trans-56.9120.5179.6-168.263.859.700109.7Y389 A440 A444 M599 D601M361-Y389 HydrophobicContact CB-CE1 4.45Å; M361-Y389 PolarHBondContact N-OH 3.17Å; M361-Y389 VanDerWaalsContact O-CE1 3.3Å; M361-Y389 WeakPolarHBondContact O-CE1 3.41Å; M361-A440 HydrophobicContact CB-CB 4Å; M361-A440 WeakPolarHBondContact CB-O 3.17Å; M361-A444 HydrophobicContact CB-CB 4.14Å; M361-A444 HydrophobicContact CG-CB 3.89Å; M361-A444 WeakPolarHBondContact O-CB 3.14Å; M361-M599 HydrophobicContact CG-CB 4.17Å; M361-M599 HydrophobicContact CG-CG 3.93Å; M361-M599 HydrophobicContact CG-SD 3.58Å; M361-M599 VanDerWaalsContact CG-SD 3.58Å; M361-M599 HydrophobicContact SD-CB 4.02Å; M361-M599 HydrophobicContact SD-CG 3.65Å; M361-M599 HydrophobicContact SD-SD 4.01Å; M361-D601 HydrophobicContact CE-CB 4.45Å
362S91.6Very high88.6Confident3 Ų323.9 Ų23.92%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-130.6132.4-175.2-70.30000109.8Q360 C364 S387 T388 M599 L600Q360-S362 PolarHBondContact O-N 3.02Å; Q360-S362 VanDerWaalsContact O-N 3.11Å; Q360-S362 PolarHBondContact O-OG 2.72Å; S362-C364 PolarHBondContact O-N 3.02Å; S362-C364 PolarHBondContact O-SG 2.85Å; S362-C364 VanDerWaalsContact O-SG 3.4Å; S362-S387 PolarHBondContact OG-O 2.57Å; S362-T388 PolarHBondContact OG-N 3.19Å; S362-M599 CarbonylContact O-C 3.5Å; S362-M599 WeakPolarHBondContact O-CA 3.4Å; S362-M599 WeakPolarHBondContact O-CB 3.16Å; S362-L600 PolarHBondContact N-O 2.98Å; S362-L600 PolarHBondContact O-N 3.13Å
363V95.6Very high88.9Confident5 Ų528 Ų283%0.0315%0.146CC..EExtended strand (participates in β ladder)trans-71123.4171-177.30000108.1K365 I384 A444 L445 L448 V597 M599V363-K365 WeakPolarHBondContact CG1-O 3.3Å; V363-I384 HydrophobicContact CG1-CD1 4.1Å; V363-I384 WeakPolarHBondContact O-CB 3.42Å; V363-A444 HydrophobicContact CG2-CB 4.24Å; V363-L445 HydrophobicContact CG2-CD2 4.27Å; V363-L448 HydrophobicContact CB-CB 4.28Å; V363-L448 HydrophobicContact CB-CD1 4.19Å; V363-L448 HydrophobicContact CB-CD2 4.31Å; V363-L448 HydrophobicContact CB-CG 4.48Å; V363-L448 HydrophobicContact CG1-CD1 4.11Å; V363-L448 HydrophobicContact CG1-CD2 4.06Å; V363-L448 HydrophobicContact CG2-CB 4.08Å; V363-L448 HydrophobicContact CG2-CD2 4.12Å; V363-V597 HydrophobicContact CG1-CB 4.03Å; V363-V597 HydrophobicContact CG1-CG1 4.42Å; V363-M599 HydrophobicContact CG2-CB 4.12Å; V363-M599 HydrophobicContact CG2-CE 4.19Å
364C93.1Very high89.4Confident32 Ų3229.7 Ų29.722%0.21617%0.168CC..EExtended strand (participates in β ladder)trans-109-30.9-177.3-57.70000112.4S362 S383 I384 L559 G598S362-C364 PolarHBondContact O-N 3.02Å; S362-C364 PolarHBondContact O-SG 2.85Å; S362-C364 VanDerWaalsContact O-SG 3.4Å; C364-S383 CarbonylContact O-C 3.54Å; C364-S383 WeakPolarHBondContact O-CA 3.41Å; C364-I384 PolarHBondContact O-N 3.37Å; C364-L559 HydrophobicContact CB-CD2 4.29Å; C364-G598 PolarHBondContact N-O 3.37Å
365K96Very high89.9Confident55 Ų5535.2 Ų35.224%0.23920%0.196CC..EExtended strand (participates in β ladder)trans-136.1150.4177.6-63-171.2175.6-178.90110.9V363 F382 W552 D557 L559 G598V363-K365 WeakPolarHBondContact CG1-O 3.3Å; K365-F382 VanDerWaalsContact CA-O 3.32Å; K365-F382 WeakPolarHBondContact CA-O 3.38Å; K365-W552 HydrophobicContact CB-CD2 4.34Å; K365-W552 HydrophobicContact CB-CE3 4.12Å; K365-W552 HydrophobicContact CB-CH2 3.43Å; K365-W552 VanDerWaalsContact CB-CH2 3.43Å; K365-W552 HydrophobicContact CB-CZ2 3.71Å; K365-W552 HydrophobicContact CB-CZ3 3.67Å; K365-W552 HydrophobicContact CD-CD2 4.34Å; K365-W552 HydrophobicContact CD-CZ2 4Å; K365-W552 HydrophobicContact CG-CZ2 4.48Å; K365-D557 WeakPolarHBondContact CE-OD2 3.47Å; K365-D557 VanDerWaalsContact NZ-CG 3.32Å; K365-D557 IonicContact NZ-OD1 2.64Å; K365-D557 PolarHBondContact NZ-OD1 3.22Å; K365-D557 IonicContact NZ-OD2 3.97Å; K365-D557 PolarHBondContact NZ-OD2 3.1Å; K365-L559 HydrophobicContact CB-CD1 3.84Å; K365-L559 HydrophobicContact CD-CD1 3.99Å; K365-L559 HydrophobicContact CG-CD1 3.94Å; K365-G598 PolarHBondContact N-O 3.2Å; K365-G598 PolarHBondContact O-N 3.16Å
366M97.9Very high90.4Very high0 Ų040.6 Ų40.60%022%0.223CC..EExtended strand (participates in β ladder)trans-148.7153168.867.5-177.2168.200110.7F382 I384 V395 L410 L413 L448 M452 V596 V597M366-F382 HydrophobicContact CE-CB 3.92Å; M366-F382 HydrophobicContact CE-CG 4.23Å; M366-F382 HydrophobicContact CG-CB 3.93Å; M366-F382 HydrophobicContact CG-CD2 4.37Å; M366-F382 PolarHBondContact N-O 3.17Å; M366-F382 PolarHBondContact O-N 3.29Å; M366-I384 HydrophobicContact CB-CD1 4.31Å; M366-I384 HydrophobicContact CE-CD1 4.26Å; M366-I384 HydrophobicContact CE-CG1 4.38Å; M366-I384 HydrophobicContact CG-CD1 3.88Å; M366-I384 HydrophobicContact SD-CD1 4.26Å; M366-V395 HydrophobicContact CE-CB 4.47Å; M366-V395 HydrophobicContact CE-CG1 3.5Å; M366-V395 HydrophobicContact CE-CG2 4.06Å; M366-L410 HydrophobicContact CE-CD1 4.27Å; M366-L410 HydrophobicContact CE-CD2 3.89Å; M366-L410 HydrophobicContact SD-CD2 3.98Å; M366-L413 HydrophobicContact SD-CD1 4.48Å; M366-L413 HydrophobicContact SD-CD2 4.15Å; M366-L448 HydrophobicContact SD-CD1 4.23Å; M366-L448 HydrophobicContact SD-CD2 4.48Å; M366-M452 HydrophobicContact CE-CE 4.08Å; M366-M452 HydrophobicContact CE-CG 4.27Å; M366-M452 HydrophobicContact CE-SD 4.27Å; M366-M452 HydrophobicContact SD-CE 4.1Å; M366-M452 HydrophobicContact SD-SD 4.05Å; M366-V596 CarbonylContact C-O 3.4Å; M366-V596 WeakPolarHBondContact CA-O 3.23Å; M366-V596 WeakPolarHBondContact CB-O 3.47Å; M366-V597 HydrophobicContact CB-CG1 3.95Å
367F98.1Very high90.7Very high0 Ų041.3 Ų41.30%023%0.228CC..EExtended strand (participates in β ladder)trans-140152.4173.976.3-103.9000112.4L379 N380 E381 I545 V548 I549 W552 F593 G595 V596F367-L379 HydrophobicContact CD2-CD1 4.31Å; F367-L379 HydrophobicContact CD2-CD2 4.21Å; F367-L379 HydrophobicContact CE2-CD1 4.31Å; F367-L379 HydrophobicContact CE2-CD2 4.25Å; F367-N380 WeakPolarHBondContact CA-O 3.45Å; F367-N380 WeakPolarHBondContact CB-O 3.48Å; F367-E381 HydrophobicContact CB-CB 4.47Å; F367-E381 HydrophobicContact CB-CG 3.88Å; F367-I545 HydrophobicContact CE2-CG2 4.28Å; F367-I545 HydrophobicContact CZ-CG2 4.01Å; F367-V548 HydrophobicContact CD1-CG1 3.96Å; F367-V548 HydrophobicContact CE1-CB 4.26Å; F367-V548 HydrophobicContact CE1-CG1 3.79Å; F367-I549 HydrophobicContact CE1-CG1 4.27Å; F367-I549 HydrophobicContact CZ-CG1 4.28Å; F367-W552 HydrophobicContact CB-CH2 4.15Å; F367-W552 AromaticContact CD1-CH2 3.53Å; F367-W552 HydrophobicContact CD1-CH2 3.53Å; F367-W552 AromaticContact CD1-CZ2 3.89Å; F367-W552 HydrophobicContact CD1-CZ2 3.89Å; F367-W552 AromaticContact CD1-CZ3 3.87Å; F367-W552 HydrophobicContact CD1-CZ3 3.87Å; F367-W552 HydrophobicContact CE1-CH2 4.45Å; F367-W552 HydrophobicContact CE1-CZ3 4.44Å; F367-W552 HydrophobicContact CG-CH2 4.32Å; F367-F593 HydrophobicContact CE2-CE1 4.26Å; F367-F593 AromaticContact CE2-CZ 3.94Å; F367-F593 HydrophobicContact CE2-CZ 3.94Å; F367-F593 HydrophobicContact CZ-CZ 4.37Å; F367-G595 CarbonylContact O-C 3.56Å; F367-G595 WeakPolarHBondContact O-CA 3.4Å; F367-V596 HydrophobicContact CD1-CB 3.9Å; F367-V596 HydrophobicContact CD1-CG1 4.36Å; F367-V596 HydrophobicContact CE1-CB 3.45Å; F367-V596 VanDerWaalsContact CE1-CB 3.45Å; F367-V596 HydrophobicContact CE1-CG1 3.86Å; F367-V596 HydrophobicContact CE1-CG2 3.82Å; F367-V596 HydrophobicContact CE2-CB 4.3Å; F367-V596 HydrophobicContact CE2-CG2 4.22Å; F367-V596 HydrophobicContact CG-CB 4.49Å; F367-V596 HydrophobicContact CZ-CB 3.67Å; F367-V596 HydrophobicContact CZ-CG1 4.44Å; F367-V596 HydrophobicContact CZ-CG2 3.55Å; F367-V596 PolarHBondContact N-O 3.49Å; F367-V596 PolarHBondContact O-N 3.11Å
368I98.1Very high91.1Very high7 Ų745.6 Ų45.64%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-130.4170.1171.760.1170.8000109.2N380 F382 L410 L413I368-N380 HydrophobicContact CG1-CB 3.92Å; I368-N380 PolarHBondContact N-O 2.66Å; I368-N380 PolarHBondContact O-N 2.75Å; I368-F382 HydrophobicContact CD1-CE2 4.4Å; I368-F382 HydrophobicContact CG1-CE2 4.12Å; I368-L410 HydrophobicContact CD1-CD2 4.13Å; I368-L410 HydrophobicContact CD1-CG 3.97Å; I368-L410 HydrophobicContact CG1-CD2 4.41Å; I368-L410 HydrophobicContact CG2-CD2 3.9Å; I368-L413 HydrophobicContact CG2-CD1 3.7Å
369I97.3Very high91.9Very high4 Ų446 Ų462%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-83.4129.3175.8-49.7-56.5000109.9V372 L379 V528 R529 V530 I545 F593I369-V372 HydrophobicContact CG2-CG2 3.62Å; I369-L379 HydrophobicContact CD1-CD2 3.19Å; I369-V528 HydrophobicContact CB-CG1 4.04Å; I369-V528 HydrophobicContact CD1-CG1 4.44Å; I369-V528 HydrophobicContact CG1-CG1 3.46Å; I369-V528 VanDerWaalsContact CG1-CG1 3.46Å; I369-V528 HydrophobicContact CG2-CG1 4.1Å; I369-R529 WeakPolarHBondContact CB-O 3.47Å; I369-V530 HydrophobicContact CB-CG2 4.45Å; I369-V530 HydrophobicContact CG2-CG2 3.87Å; I369-I545 HydrophobicContact CD1-CD1 4Å; I369-I545 HydrophobicContact CD1-CG1 4.03Å; I369-F593 HydrophobicContact CD1-CD1 4.29Å; I369-F593 HydrophobicContact CD1-CE1 3.85Å; I369-F593 HydrophobicContact CG1-CD1 4.08Å; I369-F593 HydrophobicContact CG1-CE1 4Å
370D94.6Very high92.9Very high76 Ų7644.1 Ų44.141%0.40624%0.242SC..EExtended strand (participates in β ladder)trans-89.8-51178.3-176.158000111.4L378 N380 V530D370-L378 HydrophobicContact CB-CB 4.25Å; D370-L378 WeakPolarHBondContact CB-O 3.27Å; D370-L378 PolarHBondContact N-O 3.27Å; D370-N380 HydrophobicContact CB-CB 4.27Å; D370-N380 WeakPolarHBondContact CB-ND2 3.32Å; D370-N380 PolarHBondContact OD1-ND2 2.76Å; D370-V530 WeakPolarHBondContact O-CG1 3.06Å
371K94.4Very high93.6Very high99 Ų9945.4 Ų45.443%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-153143.1-180-169.6-176.9176.6-151.70111D373 L378K371-D373 IonicContact NZ-OD2 3.29Å; K371-D373 PolarHBondContact NZ-OD2 2.81Å; K371-L378 PolarHBondContact N-O 3.46Å; K371-L378 PolarHBondContact O-N 3.01Å
372V93.6Very high94.1Very high29 Ų2944.3 Ų44.318%0.17624%0.242CC..EExtended strand (participates in β ladder)trans-123.9124.6167.7-178.60000108.3I369 I376 V530 V535 V541I369-V372 HydrophobicContact CG2-CG2 3.62Å; V372-I376 WeakPolarHBondContact CA-O 3.37Å; V372-V530 HydrophobicContact CB-CG2 4.49Å; V372-V530 HydrophobicContact CG2-CG2 3.96Å; V372-V535 HydrophobicContact CB-CG2 4.12Å; V372-V535 HydrophobicContact CG1-CG2 4.4Å; V372-V535 HydrophobicContact CG2-CG2 4.17Å; V372-V541 HydrophobicContact CG1-CG2 3.74Å; V372-V541 HydrophobicContact CG2-CG2 4.3Å
373D91.5Very high94.3Very high93 Ų9345.7 Ų45.750%0.49725%0.252SS..EExtended strand (participates in β ladder)trans-140.793.6-179.5-159.7-7.5000109.5K371 D375 I376K371-D373 IonicContact NZ-OD2 3.29Å; K371-D373 PolarHBondContact NZ-OD2 2.81Å; D373-D375 PolarHBondContact O-N 2.76Å; D373-I376 PolarHBondContact N-O 2.93Å; D373-I376 WeakPolarHBondContact O-CB 3.37Å; D373-I376 PolarHBondContact O-N 2.81Å; D373-I376 VanDerWaalsContact O-N 3.08Å
374G87.6Confident94.3Very high55 Ų5546.1 Ų46.157%0.56725%0.254SS*.THydrogen-bonded Turntrans61.2-120.1-168.800000111.7
375D84.4Confident94.3Very high123 Ų12347 Ų4766%0.65826%0.258SS*.THydrogen-bonded Turntrans-86.4-7.9178.4-62.2-26000113.1D373 P540D373-D375 PolarHBondContact O-N 2.76Å; D375-P540 HydrophobicContact CB-CB 4.26Å; D375-P540 HydrophobicContact CB-CG 4.18Å
376I88Confident94Very high112 Ų11246 Ų4657%0.57426%0.263SS*.EExtended strand (participates in β ladder)trans-84.4118.5179.5-56.5174.7000109.2V372 D373V372-I376 WeakPolarHBondContact CA-O 3.37Å; D373-I376 PolarHBondContact N-O 2.93Å; D373-I376 WeakPolarHBondContact O-CB 3.37Å; D373-I376 PolarHBondContact O-N 2.81Å; D373-I376 VanDerWaalsContact O-N 3.08Å
377C91.8Very high93.3Very high15 Ų1547.8 Ų47.810%0.10128%0.276CS..EExtended strand (participates in β ladder)trans-119.7118.6176.5-175.80000110.5V541 K544C377-V541 HydrophobicContact CB-CB 4.49Å; C377-V541 HydrophobicContact CB-CG2 3.98Å; C377-K544 HydrophobicContact CB-CB 4.39Å; C377-K544 HydrophobicContact CB-CG 4.33Å
378L94.4Very high92.8Very high91 Ų9150 Ų5048%0.47629%0.29SS..EExtended strand (participates in β ladder)trans-106.2132.3174.7-65.1175.7000110.1D370 K371D370-L378 HydrophobicContact CB-CB 4.25Å; D370-L378 WeakPolarHBondContact CB-O 3.27Å; D370-L378 PolarHBondContact N-O 3.27Å; K371-L378 PolarHBondContact N-O 3.46Å; K371-L378 PolarHBondContact O-N 3.01Å
379L95.8Very high92.6Very high29 Ų2950.1 Ų50.115%0.15229%0.29CS..EExtended strand (participates in β ladder)trans-105.6142.8178.5-54179.1000109.7F367 I369 K544 I545 V548F367-L379 HydrophobicContact CD2-CD1 4.31Å; F367-L379 HydrophobicContact CD2-CD2 4.21Å; F367-L379 HydrophobicContact CE2-CD1 4.31Å; F367-L379 HydrophobicContact CE2-CD2 4.25Å; I369-L379 HydrophobicContact CD1-CD2 3.19Å; L379-K544 HydrophobicContact CD1-CG 4.27Å; L379-I545 HydrophobicContact CD2-CG1 4.5Å; L379-V548 HydrophobicContact CD1-CB 4.33Å; L379-V548 HydrophobicContact CD1-CG2 3.64Å
380N96.7Very high92.4Very high14 Ų1450.4 Ų50.48%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-101.2108.5167.1-93.7-32000108.8F367 I368 D370 F382 K397F367-N380 WeakPolarHBondContact CA-O 3.45Å; F367-N380 WeakPolarHBondContact CB-O 3.48Å; I368-N380 HydrophobicContact CG1-CB 3.92Å; I368-N380 PolarHBondContact N-O 2.66Å; I368-N380 PolarHBondContact O-N 2.75Å; D370-N380 HydrophobicContact CB-CB 4.27Å; D370-N380 WeakPolarHBondContact CB-ND2 3.32Å; D370-N380 PolarHBondContact OD1-ND2 2.76Å; N380-F382 HydrophobicContact CB-CE2 3.77Å; N380-F382 HydrophobicContact CB-CZ 4.08Å; N380-F382 WeakPolarHBondContact O-CE2 3.43Å; N380-K397 WeakPolarHBondContact OD1-CE 3.43Å; N380-K397 PolarHBondContact OD1-NZ 3.48Å
381E97.3Very high92.4Very high82 Ų8247.3 Ų47.338%0.38328%0.277SS..EExtended strand (participates in β ladder)trans-96.5144.2176.8-63.1-175.1-15000111.6F367 W552F367-E381 HydrophobicContact CB-CB 4.47Å; F367-E381 HydrophobicContact CB-CG 3.88Å; E381-W552 HydrophobicContact CG-CZ2 4.45Å
382F97.6Very high92.3Very high6 Ų648.7 Ų48.73%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-136.4147-179.9-56.7-91.9000110.3K365 M366 I368 N380 V395 L396 K397 V402 Y407 L410K365-F382 VanDerWaalsContact CA-O 3.32Å; K365-F382 WeakPolarHBondContact CA-O 3.38Å; M366-F382 HydrophobicContact CE-CB 3.92Å; M366-F382 HydrophobicContact CE-CG 4.23Å; M366-F382 HydrophobicContact CG-CB 3.93Å; M366-F382 HydrophobicContact CG-CD2 4.37Å; M366-F382 PolarHBondContact N-O 3.17Å; M366-F382 PolarHBondContact O-N 3.29Å; I368-F382 HydrophobicContact CD1-CE2 4.4Å; I368-F382 HydrophobicContact CG1-CE2 4.12Å; N380-F382 HydrophobicContact CB-CE2 3.77Å; N380-F382 HydrophobicContact CB-CZ 4.08Å; N380-F382 WeakPolarHBondContact O-CE2 3.43Å; F382-V395 HydrophobicContact CB-CG1 3.99Å; F382-V395 HydrophobicContact CD1-CG1 4.04Å; F382-V395 HydrophobicContact CG-CG1 4.3Å; F382-L396 CarbonylContact C-O 3.54Å; F382-L396 VanDerWaalsContact CA-O 3.28Å; F382-L396 WeakPolarHBondContact CA-O 3.44Å; F382-K397 HydrophobicContact CD1-CB 3.95Å; F382-K397 HydrophobicContact CD1-CG 4.28Å; F382-K397 HydrophobicContact CE1-CB 4.08Å; F382-K397 HydrophobicContact CE1-CD 3.91Å; F382-K397 HydrophobicContact CE1-CG 4.17Å; F382-K397 HydrophobicContact CZ-CD 4.45Å; F382-V402 HydrophobicContact CD1-CG2 4.05Å; F382-V402 HydrophobicContact CE1-CG2 4.09Å; F382-Y407 HydrophobicContact CE1-CD2 4.3Å; F382-Y407 AromaticContact CE1-CE2 4Å; F382-Y407 HydrophobicContact CE1-CE2 4Å; F382-Y407 HydrophobicContact CZ-CD1 4.19Å; F382-Y407 HydrophobicContact CZ-CD2 4.19Å; F382-Y407 HydrophobicContact CZ-CE1 4.18Å; F382-Y407 HydrophobicContact CZ-CE2 4.18Å; F382-Y407 HydrophobicContact CZ-CG 4.19Å; F382-L410 HydrophobicContact CD1-CD1 4.39Å; F382-L410 HydrophobicContact CD2-CD1 4.31Å; F382-L410 HydrophobicContact CD2-CD2 4.08Å; F382-L410 HydrophobicContact CE1-CD1 3.98Å; F382-L410 HydrophobicContact CE2-CD1 3.9Å; F382-L410 HydrophobicContact CE2-CD2 3.92Å; F382-L410 HydrophobicContact CE2-CG 4.19Å; F382-L410 HydrophobicContact CZ-CD1 3.72Å; F382-L410 HydrophobicContact CZ-CG 4.37Å
383S96.5Very high92.3Very high33 Ų3349 Ų4923%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-108.7152.9169.253.10000110.7C364 L396C364-S383 CarbonylContact O-C 3.54Å; C364-S383 WeakPolarHBondContact O-CA 3.41Å; S383-L396 PolarHBondContact N-O 3.04Å; S383-L396 PolarHBondContact O-N 2.87Å; S383-L396 WeakPolarHBondContact OG-CB 3.45Å
384I96.4Very high92.5Very high14 Ų1449 Ų497%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-126.7132.8-178.1-57.888.2000108.6V363 C364 M366 V395 L448 K451V363-I384 HydrophobicContact CG1-CD1 4.1Å; V363-I384 WeakPolarHBondContact O-CB 3.42Å; C364-I384 PolarHBondContact O-N 3.37Å; M366-I384 HydrophobicContact CB-CD1 4.31Å; M366-I384 HydrophobicContact CE-CD1 4.26Å; M366-I384 HydrophobicContact CE-CG1 4.38Å; M366-I384 HydrophobicContact CG-CD1 3.88Å; M366-I384 HydrophobicContact SD-CD1 4.26Å; I384-V395 HydrophobicContact CG1-CG2 4.3Å; I384-L448 HydrophobicContact CD1-CD1 4.23Å; I384-L448 HydrophobicContact CG1-CD1 3.8Å; I384-L448 HydrophobicContact CG2-CD1 4.4Å; I384-K451 HydrophobicContact CG2-CD 3.78Å
385T93.4Very high92.9Very high49 Ų4946.6 Ų46.630%0.30127%0.265SS..  trans-92.3166.5176.866.50000112.3G393 E394 L396 K451T385-G393 WeakPolarHBondContact OG1-CA 3.36Å; T385-E394 HydrophobicContact CG2-CG 4.39Å; T385-E394 PolarHBondContact N-O 2.99Å; T385-E394 PolarHBondContact OG1-N 3.15Å; T385-E394 PolarHBondContact OG1-O 3.31Å; T385-L396 HydrophobicContact CG2-CD1 3.71Å; T385-L396 HydrophobicContact CG2-CG 4.24Å; T385-K451 WeakPolarHBondContact O-CE 3.41Å; T385-K451 PolarHBondContact O-NZ 2.96Å
386G88.8Confident93.5Very high34 Ų3441.6 Ų41.635%0.35124%0.239SC..  trans88124.5-177.400000112K451G386-K451 PolarHBondContact O-NZ 3.06Å
387S83.7Confident93.9Very high38 Ų3838.5 Ų38.527%0.26622%0.221SC..SBendtrans-103.412.7-173.155.10000113.4T358 S362 P602T358-S387 PolarHBondContact OG1-O 3.17Å; S362-S387 PolarHBondContact OG-O 2.57Å; S387-P602 VanDerWaalsContact CB-CG 3.47Å; S387-P602 WeakPolarHBondContact O-CG 3.31Å
388T88.1Confident94Very high47 Ų4744.5 Ų44.529%0.28825%0.252SS..SBendtrans-129.2170.9-173.862.90000111.3S362 A390S362-T388 PolarHBondContact OG-N 3.19Å; T388-A390 PolarHBondContact O-N 2.93Å; T388-A390 WeakPolarHBondContact OG1-CB 3.17Å; T388-A390 PolarHBondContact OG1-N 3.25Å
389Y92.1Very high93.8Very high9 Ų946.5 Ų46.54%0.03526%0.263CS..SBendtrans-71.3-6.4169.5-65.7-49.4000113.6Q360 M361 L425 K436 A440 T443Q360-Y389 HydrophobicContact CB-CD2 4.17Å; Q360-Y389 HydrophobicContact CB-CE2 3.99Å; Q360-Y389 HydrophobicContact CG-CD2 3.97Å; Q360-Y389 HydrophobicContact CG-CE2 3.88Å; M361-Y389 HydrophobicContact CB-CE1 4.45Å; M361-Y389 PolarHBondContact N-OH 3.17Å; M361-Y389 VanDerWaalsContact O-CE1 3.3Å; M361-Y389 WeakPolarHBondContact O-CE1 3.41Å; Y389-L425 HydrophobicContact CG-CD2 4.41Å; Y389-L425 VanDerWaalsContact O-CD2 3.32Å; Y389-L425 WeakPolarHBondContact O-CD2 3.48Å; Y389-K436 HydrophobicContact CD2-CB 4.21Å; Y389-K436 HydrophobicContact CE2-CB 3.97Å; Y389-K436 HydrophobicContact CE2-CD 4.04Å; Y389-K436 HydrophobicContact CE2-CG 4.35Å; Y389-A440 VanDerWaalsContact OH-CB 3.22Å; Y389-A440 WeakPolarHBondContact OH-CB 3.46Å; Y389-T443 HydrophobicContact CD1-CG2 3.59Å; Y389-T443 HydrophobicContact CE1-CG2 3.88Å; Y389-T443 HydrophobicContact CG-CG2 4.11Å
390A93.5Very high93.8Very high11 Ų1152.3 Ų52.39%0.09129%0.287CS..SBendtrans-63.4138174.200000109.8T388 E392 Y434T388-A390 PolarHBondContact O-N 2.93Å; T388-A390 WeakPolarHBondContact OG1-CB 3.17Å; T388-A390 PolarHBondContact OG1-N 3.25Å; A390-E392 HydrophobicContact CB-CB 4.33Å; A390-E392 HydrophobicContact CB-CG 4.24Å; A390-E392 PolarHBondContact O-N 2.84Å; A390-Y434 HydrophobicContact CB-CD2 3.65Å; A390-Y434 HydrophobicContact CB-CE2 4.17Å; A390-Y434 HydrophobicContact CB-CG 4.4Å
391P94.9Very high93.8Very high10 Ų1055.6 Ų55.67%0.06531%0.31CS..SBendtrans-76.240.4176.334-36.1000111.9Y434 E450 R467P391-Y434 HydrophobicContact CG-CE1 3.98Å; P391-Y434 HydrophobicContact CG-CE2 4.4Å; P391-E450 HydrophobicContact CB-CB 3.57Å; P391-E450 HydrophobicContact CB-CG 4.21Å; P391-R467 HydrophobicContact CG-CG 3.81Å
392E92.7Very high93.7Very high128 Ų12853.4 Ų53.460%0.59830%0.301SS*.  trans-113.1118.7-178.5-64.7177.7-168.100108.6A390 K451A390-E392 HydrophobicContact CB-CB 4.33Å; A390-E392 HydrophobicContact CB-CG 4.24Å; A390-E392 PolarHBondContact O-N 2.84Å; E392-K451 VanDerWaalsContact O-CE 3.3Å; E392-K451 WeakPolarHBondContact O-CE 3.4Å
393G92.9Very high93.7Very high36 Ų3661 Ų6137%0.37133%0.33SS..  trans148172.1-17400000111T385T385-G393 WeakPolarHBondContact OG1-CA 3.36Å
394E95.3Very high93.6Very high93 Ų9360 Ų6044%0.43532%0.323SS..  trans-140159-175.959.5-176.6167.800111.4T385 L396 P401T385-E394 HydrophobicContact CG2-CG 4.39Å; T385-E394 PolarHBondContact N-O 2.99Å; T385-E394 PolarHBondContact OG1-N 3.15Å; T385-E394 PolarHBondContact OG1-O 3.31Å; E394-L396 HydrophobicContact CG-CD2 3.79Å; E394-L396 HydrophobicContact CG-CG 4.45Å; E394-P401 WeakPolarHBondContact OE2-CB 3.41Å; E394-P401 WeakPolarHBondContact OE2-CG 3.44Å
395V97.4Very high93.5Very high4 Ų460.5 Ų60.52%0.02433%0.331CS..EExtended strand (participates in β ladder)trans-95.8128175.5-179.20000108.8M366 F382 I384 V402 P404 M452M366-V395 HydrophobicContact CE-CB 4.47Å; M366-V395 HydrophobicContact CE-CG1 3.5Å; M366-V395 HydrophobicContact CE-CG2 4.06Å; F382-V395 HydrophobicContact CB-CG1 3.99Å; F382-V395 HydrophobicContact CD1-CG1 4.04Å; F382-V395 HydrophobicContact CG-CG1 4.3Å; I384-V395 HydrophobicContact CG1-CG2 4.3Å; V395-V402 HydrophobicContact CG1-CG2 4.17Å; V395-V402 PolarHBondContact O-N 3.48Å; V395-P404 HydrophobicContact CB-CG 3.78Å; V395-P404 HydrophobicContact CG1-CG 4.2Å; V395-P404 HydrophobicContact CG2-CG 3.71Å; V395-M452 HydrophobicContact CG2-CG 3.97Å
396L96.8Very high93.6Very high19 Ų1964.5 Ų64.510%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-114.6145.4-178-50.5177.1000110.3F382 S383 T385 E394 K400 P401F382-L396 CarbonylContact C-O 3.54Å; F382-L396 VanDerWaalsContact CA-O 3.28Å; F382-L396 WeakPolarHBondContact CA-O 3.44Å; S383-L396 PolarHBondContact N-O 3.04Å; S383-L396 PolarHBondContact O-N 2.87Å; S383-L396 WeakPolarHBondContact OG-CB 3.45Å; T385-L396 HydrophobicContact CG2-CD1 3.71Å; T385-L396 HydrophobicContact CG2-CG 4.24Å; E394-L396 HydrophobicContact CG-CD2 3.79Å; E394-L396 HydrophobicContact CG-CG 4.45Å; L396-K400 CarbonylContact C-O 3.54Å; L396-K400 VanDerWaalsContact CA-O 3.26Å; L396-K400 WeakPolarHBondContact CA-O 3.48Å; L396-P401 HydrophobicContact CD2-CB 4.12Å; L396-P401 HydrophobicContact CD2-CG 3.74Å
397K96.1Very high93.9Very high47 Ų4765.4 Ų65.420%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-123.5119.4166.3-170.7178.9-172.5175.20107.5N380 F382 D399 K400 V402N380-K397 WeakPolarHBondContact OD1-CE 3.43Å; N380-K397 PolarHBondContact OD1-NZ 3.48Å; F382-K397 HydrophobicContact CD1-CB 3.95Å; F382-K397 HydrophobicContact CD1-CG 4.28Å; F382-K397 HydrophobicContact CE1-CB 4.08Å; F382-K397 HydrophobicContact CE1-CD 3.91Å; F382-K397 HydrophobicContact CE1-CG 4.17Å; F382-K397 HydrophobicContact CZ-CD 4.45Å; K397-D399 VanDerWaalsContact C-N 3.28Å; K397-D399 PolarHBondContact O-N 2.73Å; K397-K400 PolarHBondContact N-O 3.25Å; K397-K400 PolarHBondContact O-N 2.9Å; K397-K400 VanDerWaalsContact O-N 3.13Å; K397-V402 HydrophobicContact CB-CG1 3.67Å; K397-V402 HydrophobicContact CB-CG2 4.04Å
398N93.1Very high94.5Very high140 Ų14067.7 Ų67.775%0.74935%0.349SS*.THydrogen-bonded Turntrans50.549.5-172.6-54.9-31.4000111.8K400N398-K400 PolarHBondContact O-N 3.38Å; N398-K400 VanDerWaalsContact O-N 3.08Å
399D91.5Very high94.9Very high134 Ų13465.7 Ų65.772%0.71734%0.338SS*.THydrogen-bonded Turntrans58.416.6-178.4-56-41.3000116.1K397K397-D399 VanDerWaalsContact C-N 3.28Å; K397-D399 PolarHBondContact O-N 2.73Å
400K95.3Very high95.2Very high151 Ų15165.3 Ų65.366%0.65734%0.336SS*.EExtended strand (participates in β ladder)trans-112.3133.4174.9-67-178.9-177.4179.20110.9L396 K397 N398 V402L396-K400 CarbonylContact C-O 3.54Å; L396-K400 VanDerWaalsContact CA-O 3.26Å; L396-K400 WeakPolarHBondContact CA-O 3.48Å; K397-K400 PolarHBondContact N-O 3.25Å; K397-K400 PolarHBondContact O-N 2.9Å; K397-K400 VanDerWaalsContact O-N 3.13Å; N398-K400 PolarHBondContact O-N 3.38Å; N398-K400 VanDerWaalsContact O-N 3.08Å; K400-V402 PolarHBondContact O-N 3.09Å
401P96Very high95.4Very high83 Ų8366.2 Ų66.254%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-57.9131.3175-24.233.5000111.6E394 L396E394-P401 WeakPolarHBondContact OE2-CB 3.41Å; E394-P401 WeakPolarHBondContact OE2-CG 3.44Å; L396-P401 HydrophobicContact CD2-CB 4.12Å; L396-P401 HydrophobicContact CD2-CG 3.74Å
402V96.6Very high95.5Very high35 Ų3567.3 Ų67.321%0.21235%0.345CS..  trans-126.4157.3177.1-68.10000110.2F382 V395 K397 K400 P404F382-V402 HydrophobicContact CD1-CG2 4.05Å; F382-V402 HydrophobicContact CE1-CG2 4.09Å; V395-V402 HydrophobicContact CG1-CG2 4.17Å; V395-V402 PolarHBondContact O-N 3.48Å; K397-V402 HydrophobicContact CB-CG1 3.67Å; K397-V402 HydrophobicContact CB-CG2 4.04Å; K400-V402 PolarHBondContact O-N 3.09Å; V402-P404 VanDerWaalsContact O-CD 3.29Å; V402-P404 WeakPolarHBondContact O-CD 3.39Å
403R95.9Very high95.7Very high167 Ų16761.2 Ų61.263%0.6332%0.316SS*.  trans-89.1112.3173-69.7-174.6-176.6174.31.1109.4G405 Q406R403-G405 PolarHBondContact O-N 3.45Å; R403-Q406 HydrophobicContact CB-CG 4.04Å; R403-Q406 WeakPolarHBondContact O-CB 3.3Å; R403-Q406 PolarHBondContact O-N 2.99Å; R403-Q406 VanDerWaalsContact O-N 3.1Å
404P95.1Very high96Very high11 Ų1159.5 Ų59.57%0.07130%0.299CS..G310 helixtrans-62.2-31.4-175.8-29.742.4000113.5V395 V402 Q406 Y407 L410 M452 V454V395-P404 HydrophobicContact CB-CG 3.78Å; V395-P404 HydrophobicContact CG1-CG 4.2Å; V395-P404 HydrophobicContact CG2-CG 3.71Å; V402-P404 VanDerWaalsContact O-CD 3.29Å; V402-P404 WeakPolarHBondContact O-CD 3.39Å; P404-Q406 PolarHBondContact O-N 2.87Å; P404-Y407 PolarHBondContact O-N 3.28Å; P404-L410 HydrophobicContact CB-CB 4.48Å; P404-L410 HydrophobicContact CB-CD1 3.97Å; P404-M452 HydrophobicContact CB-CB 4.2Å; P404-M452 HydrophobicContact CB-CE 4.4Å; P404-M452 WeakPolarHBondContact CB-O 3.38Å; P404-M452 WeakPolarHBondContact CD-O 3.35Å; P404-M452 HydrophobicContact CG-CB 4.28Å; P404-M452 VanDerWaalsContact CG-O 3.23Å; P404-M452 WeakPolarHBondContact CG-O 3.12Å; P404-V454 HydrophobicContact CB-CG1 4.07Å
405G93.9Very high96.1Very high25 Ų2555.9 Ų55.926%0.25828%0.283SS..G310 helixtrans-63-8.117600000115.7R403 Y407 V454R403-G405 PolarHBondContact O-N 3.45Å; G405-Y407 VanDerWaalsContact C-N 3.29Å; G405-V454 WeakPolarHBondContact CA-O 3.48Å
406Q94.9Very high96.1Very high133 Ų13355.7 Ų55.762%0.62128%0.282SS*.G310 helixtrans-78.8-13.3172.6-67.5178.2-26.500113.2R403 P404R403-Q406 HydrophobicContact CB-CG 4.04Å; R403-Q406 WeakPolarHBondContact O-CB 3.3Å; R403-Q406 PolarHBondContact O-N 2.99Å; R403-Q406 VanDerWaalsContact O-N 3.1Å; P404-Q406 PolarHBondContact O-N 2.87Å
407Y97Very high96.2Very high52 Ų5254.8 Ų54.820%0.20428%0.277CS..  trans-115.2108.2-177.6-58.5-91.5000109F382 P404 G405 G409 L410 V411F382-Y407 HydrophobicContact CE1-CD2 4.3Å; F382-Y407 AromaticContact CE1-CE2 4Å; F382-Y407 HydrophobicContact CE1-CE2 4Å; F382-Y407 HydrophobicContact CZ-CD1 4.19Å; F382-Y407 HydrophobicContact CZ-CD2 4.19Å; F382-Y407 HydrophobicContact CZ-CE1 4.18Å; F382-Y407 HydrophobicContact CZ-CE2 4.18Å; F382-Y407 HydrophobicContact CZ-CG 4.19Å; P404-Y407 PolarHBondContact O-N 3.28Å; G405-Y407 VanDerWaalsContact C-N 3.29Å; Y407-G409 PolarHBondContact O-N 2.86Å; Y407-G409 VanDerWaalsContact O-N 3.16Å; Y407-L410 HydrophobicContact CD2-CD1 3.95Å; Y407-L410 HydrophobicContact CG-CD1 4.17Å; Y407-L410 WeakPolarHBondContact O-CA 3.07Å; Y407-L410 WeakPolarHBondContact O-CB 3.23Å; Y407-L410 PolarHBondContact O-N 2.83Å; Y407-V411 PolarHBondContact O-N 2.82Å
408D95.6Very high96.3Very high87 Ų8752.6 Ų52.647%0.46527%0.268SS..Hα-helixtrans-56.5-35.7-178-64.1-55.9000112.7L410 V411 E412 T532D408-L410 VanDerWaalsContact C-N 3.27Å; D408-L410 PolarHBondContact O-N 3.18Å; D408-V411 WeakPolarHBondContact O-CB 3.45Å; D408-V411 PolarHBondContact O-N 2.89Å; D408-V411 VanDerWaalsContact O-N 3.09Å; D408-E412 PolarHBondContact O-N 3.19Å; D408-T532 HydrophobicContact CB-CG2 3.79Å
409G96Very high96.5Very high5 Ų546.1 Ų46.15%0.05223%0.233CC..Hα-helixtrans-61.1-33.5174.400000113.2Y407 L413Y407-G409 PolarHBondContact O-N 2.86Å; Y407-G409 VanDerWaalsContact O-N 3.16Å; G409-L413 VanDerWaalsContact O-CB 3.24Å; G409-L413 WeakPolarHBondContact O-CB 3.42Å; G409-L413 PolarHBondContact O-N 3.28Å
410L97.8Very high96.7Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-75-29.9174.5-65.2-176.8000112.1M366 I368 F382 P404 Y407 D408 L413 A414 M452M366-L410 HydrophobicContact CE-CD1 4.27Å; M366-L410 HydrophobicContact CE-CD2 3.89Å; M366-L410 HydrophobicContact SD-CD2 3.98Å; I368-L410 HydrophobicContact CD1-CD2 4.13Å; I368-L410 HydrophobicContact CD1-CG 3.97Å; I368-L410 HydrophobicContact CG1-CD2 4.41Å; I368-L410 HydrophobicContact CG2-CD2 3.9Å; F382-L410 HydrophobicContact CD1-CD1 4.39Å; F382-L410 HydrophobicContact CD2-CD1 4.31Å; F382-L410 HydrophobicContact CD2-CD2 4.08Å; F382-L410 HydrophobicContact CE1-CD1 3.98Å; F382-L410 HydrophobicContact CE2-CD1 3.9Å; F382-L410 HydrophobicContact CE2-CD2 3.92Å; F382-L410 HydrophobicContact CE2-CG 4.19Å; F382-L410 HydrophobicContact CZ-CD1 3.72Å; F382-L410 HydrophobicContact CZ-CG 4.37Å; P404-L410 HydrophobicContact CB-CB 4.48Å; P404-L410 HydrophobicContact CB-CD1 3.97Å; Y407-L410 HydrophobicContact CD2-CD1 3.95Å; Y407-L410 HydrophobicContact CG-CD1 4.17Å; Y407-L410 WeakPolarHBondContact O-CA 3.07Å; Y407-L410 WeakPolarHBondContact O-CB 3.23Å; Y407-L410 PolarHBondContact O-N 2.83Å; D408-L410 VanDerWaalsContact C-N 3.27Å; D408-L410 PolarHBondContact O-N 3.18Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L410-L413 PolarHBondContact O-N 3.25Å; L410-A414 WeakPolarHBondContact O-CB 3.33Å; L410-A414 PolarHBondContact O-N 2.62Å; L410-M452 HydrophobicContact CB-CE 3.69Å; L410-M452 HydrophobicContact CD2-CE 4.14Å; L410-M452 HydrophobicContact CG-CE 4.35Å; L410-M452 VanDerWaalsContact O-CE 3.24Å; L410-M452 WeakPolarHBondContact O-CE 3.39Å
411V97.6Very high96.7Very high30 Ų3032.9 Ų32.918%0.18217%0.17CC..Hα-helixtrans-63.1-47.2172.3-176.60000110Y407 D408 A414 T415 V454 F455Y407-V411 PolarHBondContact O-N 2.82Å; D408-V411 WeakPolarHBondContact O-CB 3.45Å; D408-V411 PolarHBondContact O-N 2.89Å; D408-V411 VanDerWaalsContact O-N 3.09Å; V411-A414 PolarHBondContact O-N 2.85Å; V411-T415 WeakPolarHBondContact O-CB 3.31Å; V411-T415 PolarHBondContact O-N 3.08Å; V411-T415 PolarHBondContact O-OG1 2.82Å; V411-V454 HydrophobicContact CG1-CG2 4.31Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; V411-F455 HydrophobicContact CG1-CE1 4.15Å; V411-F455 HydrophobicContact CG1-CE2 4.37Å; V411-F455 HydrophobicContact CG1-CZ 3.7Å
412E97.4Very high96.4Very high33 Ų3333.2 Ų33.215%0.15417%0.167CC..Hα-helixtrans-67.6-39.4176.6-166.4172.8-153.500111.6D408 A414 T415 I416 R529 T566 V594D408-E412 PolarHBondContact O-N 3.19Å; E412-A414 PolarHBondContact O-N 2.78Å; E412-T415 WeakPolarHBondContact O-CB 3.39Å; E412-T415 PolarHBondContact O-N 3.41Å; E412-T415 VanDerWaalsContact O-N 3.13Å; E412-I416 WeakPolarHBondContact O-CG1 3.39Å; E412-I416 PolarHBondContact O-N 3.41Å; E412-R529 IonicContact OE1-CZ 3.71Å; E412-R529 IonicContact OE1-NE 2.8Å; E412-R529 PolarHBondContact OE1-NE 3Å; E412-R529 IonicContact OE1-NH2 3.73Å; E412-R529 PolarHBondContact OE1-NH2 3.07Å; E412-R529 WeakPolarHBondContact OE2-CD 3.38Å; E412-R529 VanDerWaalsContact OE2-CG 3.32Å; E412-R529 WeakPolarHBondContact OE2-CG 3.43Å; E412-R529 IonicContact OE2-CZ 2.77Å; E412-R529 IonicContact OE2-NE 3.6Å; E412-R529 PolarHBondContact OE2-NE 3.25Å; E412-R529 IonicContact OE2-NH2 3.79Å; E412-T566 VanDerWaalsContact OE1-CG2 3.23Å; E412-T566 WeakPolarHBondContact OE1-CG2 3.16Å; E412-V594 HydrophobicContact CB-CG1 4.05Å; E412-V594 HydrophobicContact CG-CG1 4.09Å; E412-V594 HydrophobicContact CG-CG2 4.14Å
413L98.4Very high96.2Very high0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-57.8-50.2174.1-170.7153.4000111.6M366 I368 G409 L410 T415 I416 C417 L448 M452 L564 V594 V597M366-L413 HydrophobicContact SD-CD1 4.48Å; M366-L413 HydrophobicContact SD-CD2 4.15Å; I368-L413 HydrophobicContact CG2-CD1 3.7Å; G409-L413 VanDerWaalsContact O-CB 3.24Å; G409-L413 WeakPolarHBondContact O-CB 3.42Å; G409-L413 PolarHBondContact O-N 3.28Å; L410-L413 HydrophobicContact CD2-CD1 4.37Å; L410-L413 PolarHBondContact O-N 3.25Å; L413-T415 PolarHBondContact O-N 3.47Å; L413-I416 PolarHBondContact O-N 3.05Å; L413-C417 PolarHBondContact O-N 2.98Å; L413-C417 PolarHBondContact O-SG 3.29Å; L413-C417 VanDerWaalsContact O-SG 3.35Å; L413-L448 HydrophobicContact CD2-CD2 4.18Å; L413-M452 HydrophobicContact CD2-CE 4.13Å; L413-M452 HydrophobicContact CD2-SD 4.13Å; L413-L564 HydrophobicContact CD1-CD1 4.29Å; L413-L564 HydrophobicContact CD2-CD1 4.04Å; L413-L564 HydrophobicContact CG-CD1 3.69Å; L413-V594 HydrophobicContact CB-CG1 4.38Å; L413-V597 HydrophobicContact CD1-CG1 4.41Å; L413-V597 HydrophobicContact CD2-CG1 3.93Å
414A98.1Very high96Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-61.5-35.4176.100000111.8L410 V411 E412 C417 A418 V449 M452 V454 I475L410-A414 WeakPolarHBondContact O-CB 3.33Å; L410-A414 PolarHBondContact O-N 2.62Å; V411-A414 PolarHBondContact O-N 2.85Å; E412-A414 PolarHBondContact O-N 2.78Å; A414-C417 PolarHBondContact O-N 2.88Å; A414-A418 WeakPolarHBondContact O-CB 3.49Å; A414-A418 PolarHBondContact O-N 2.63Å; A414-V449 HydrophobicContact CB-CG2 4.38Å; A414-V449 WeakPolarHBondContact O-CG2 3.25Å; A414-M452 HydrophobicContact CB-CE 3.95Å; A414-M452 HydrophobicContact CB-SD 4.07Å; A414-V454 HydrophobicContact CB-CB 4.48Å; A414-V454 HydrophobicContact CB-CG1 3.67Å; A414-V454 HydrophobicContact CB-CG2 3.93Å; A414-I475 HydrophobicContact CB-CD1 4.19Å
415T97.7Very high96Very high18 Ų1825.1 Ų25.111%0.1114%0.137CC..Hα-helixtrans-63.1-45.4176.6-59.10000111.7V411 E412 L413 A418 L419 I475 F513V411-T415 WeakPolarHBondContact O-CB 3.31Å; V411-T415 PolarHBondContact O-N 3.08Å; V411-T415 PolarHBondContact O-OG1 2.82Å; E412-T415 WeakPolarHBondContact O-CB 3.39Å; E412-T415 PolarHBondContact O-N 3.41Å; E412-T415 VanDerWaalsContact O-N 3.13Å; L413-T415 PolarHBondContact O-N 3.47Å; T415-A418 PolarHBondContact O-N 3.32Å; T415-L419 HydrophobicContact CG2-CD1 3.6Å; T415-L419 HydrophobicContact CG2-CG 4.46Å; T415-L419 WeakPolarHBondContact O-CB 3.46Å; T415-L419 WeakPolarHBondContact O-CG 3.25Å; T415-L419 PolarHBondContact O-N 3.47Å; T415-I475 HydrophobicContact CG2-CG2 4.06Å; T415-F513 HydrophobicContact CG2-CE1 4.18Å; T415-F513 HydrophobicContact CG2-CE2 4.06Å; T415-F513 HydrophobicContact CG2-CZ 3.74Å
416I98.1Very high96Very high0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-62.6-47.9175.7-62.2165000110.2E412 L413 A418 L419 C420 F513 L564 V594E412-I416 WeakPolarHBondContact O-CG1 3.39Å; E412-I416 PolarHBondContact O-N 3.41Å; L413-I416 PolarHBondContact O-N 3.05Å; I416-A418 VanDerWaalsContact C-N 3.27Å; I416-A418 PolarHBondContact O-N 3.36Å; I416-L419 PolarHBondContact O-N 2.76Å; I416-C420 HydrophobicContact CG2-CB 4.13Å; I416-C420 WeakPolarHBondContact O-CA 3.46Å; I416-C420 WeakPolarHBondContact O-CB 3.4Å; I416-C420 PolarHBondContact O-N 2.98Å; I416-F513 HydrophobicContact CB-CB 4.44Å; I416-F513 HydrophobicContact CG1-CB 4.06Å; I416-F513 HydrophobicContact CG1-CD1 3.6Å; I416-F513 HydrophobicContact CG1-CE1 4.41Å; I416-F513 HydrophobicContact CG1-CG 4.12Å; I416-F513 HydrophobicContact CG2-CB 4.26Å; I416-L564 HydrophobicContact CD1-CB 4.01Å; I416-L564 HydrophobicContact CG2-CB 4.14Å; I416-L564 HydrophobicContact CG2-CD2 3.81Å; I416-L564 HydrophobicContact CG2-CG 4.44Å; I416-V594 HydrophobicContact CD1-CB 3.91Å; I416-V594 HydrophobicContact CD1-CG1 4.14Å; I416-V594 HydrophobicContact CD1-CG2 3.81Å
417C98Very high95.9Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-59.3-33.6-179.8-73.50000113.8L413 A414 N421 L445 V449 L564L413-C417 PolarHBondContact O-N 2.98Å; L413-C417 PolarHBondContact O-SG 3.29Å; L413-C417 VanDerWaalsContact O-SG 3.35Å; A414-C417 PolarHBondContact O-N 2.88Å; C417-N421 VanDerWaalsContact O-CB 3.31Å; C417-N421 WeakPolarHBondContact O-CB 3.44Å; C417-N421 PolarHBondContact O-ND2 2.84Å; C417-L445 HydrophobicContact CB-CB 4.04Å; C417-V449 HydrophobicContact CB-CG2 3.57Å; C417-L564 VanDerWaalsContact SG-CD1 3.6Å
418A97.6Very high95.4Very high1 Ų121.2 Ų21.21%0.00812%0.118CC..Hα-helixtrans-84.2-37-179.500000113.8A414 T415 I416 V449 N472 I475A414-A418 WeakPolarHBondContact O-CB 3.49Å; A414-A418 PolarHBondContact O-N 2.63Å; T415-A418 PolarHBondContact O-N 3.32Å; I416-A418 VanDerWaalsContact C-N 3.27Å; I416-A418 PolarHBondContact O-N 3.36Å; A418-V449 HydrophobicContact CB-CG1 4.24Å; A418-V449 HydrophobicContact CB-CG2 4.07Å; A418-N472 WeakPolarHBondContact CA-OD1 3.45Å; A418-N472 VanDerWaalsContact CB-OD1 3.3Å; A418-N472 WeakPolarHBondContact CB-OD1 3.34Å; A418-I475 HydrophobicContact CB-CB 4.05Å; A418-I475 HydrophobicContact CB-CD1 3.78Å; A418-I475 HydrophobicContact CB-CG1 4.49Å; A418-I475 HydrophobicContact CB-CG2 3.9Å
419L97.1Very high95.1Very high4 Ų424.6 Ų24.62%0.02113%0.13CC..Hα-helixtrans-92.9-43.2-173.2-65.4173.3000112.8T415 I416 N421 I475 R476 M479 V496 F513T415-L419 HydrophobicContact CG2-CD1 3.6Å; T415-L419 HydrophobicContact CG2-CG 4.46Å; T415-L419 WeakPolarHBondContact O-CB 3.46Å; T415-L419 WeakPolarHBondContact O-CG 3.25Å; T415-L419 PolarHBondContact O-N 3.47Å; I416-L419 PolarHBondContact O-N 2.76Å; L419-N421 PolarHBondContact O-N 3.25Å; L419-I475 HydrophobicContact CD1-CG2 4.22Å; L419-I475 HydrophobicContact CD2-CG2 4.33Å; L419-I475 HydrophobicContact CG-CG2 3.99Å; L419-R476 HydrophobicContact CD2-CG 4.1Å; L419-M479 HydrophobicContact CD1-CB 3.6Å; L419-M479 HydrophobicContact CD1-CG 4.04Å; L419-M479 HydrophobicContact CD2-CB 4.49Å; L419-V496 HydrophobicContact CB-CG2 4.17Å; L419-F513 HydrophobicContact CB-CD2 4.2Å; L419-F513 HydrophobicContact CD1-CD2 3.73Å; L419-F513 HydrophobicContact CD1-CE2 3.44Å; L419-F513 VanDerWaalsContact CD1-CE2 3.44Å; L419-F513 HydrophobicContact CD1-CZ 4.36Å
420C97.4Very high94.6Very high0 Ų029 Ų290%017%0.167CC..SBendtrans-8059175.8-164.50000108.8I416 M494 V496 F513 K515I416-C420 HydrophobicContact CG2-CB 4.13Å; I416-C420 WeakPolarHBondContact O-CA 3.46Å; I416-C420 WeakPolarHBondContact O-CB 3.4Å; I416-C420 PolarHBondContact O-N 2.98Å; C420-M494 PolarHBondContact SG-O 3.39Å; C420-V496 HydrophobicContact CB-CG2 3.88Å; C420-F513 HydrophobicContact CB-CB 4.24Å; C420-F513 PolarHBondContact SG-O 2.87Å; C420-F513 VanDerWaalsContact SG-O 3.4Å; C420-K515 VanDerWaalsContact O-CD 3.24Å; C420-K515 WeakPolarHBondContact O-CD 3Å; C420-K515 WeakPolarHBondContact O-CE 3.43Å; C420-K515 PolarHBondContact O-NZ 2.65Å
421N94.9Very high93.7Very high6 Ų635.6 Ų35.63%0.03220%0.195CC..  trans-158.9134.3-168.2-162.7-29.6000109.4C417 L419 S423 E442 T446 K481C417-N421 VanDerWaalsContact O-CB 3.31Å; C417-N421 WeakPolarHBondContact O-CB 3.44Å; C417-N421 PolarHBondContact O-ND2 2.84Å; L419-N421 PolarHBondContact O-N 3.25Å; N421-S423 WeakPolarHBondContact OD1-CA 3.43Å; N421-S423 WeakPolarHBondContact OD1-CB 3.33Å; N421-S423 PolarHBondContact OD1-N 3.32Å; N421-S423 PolarHBondContact OD1-O 3.11Å; N421-E442 PolarHBondContact ND2-O 3.47Å; N421-E442 WeakPolarHBondContact OD1-CB 3.16Å; N421-E442 PolarHBondContact OD1-OE2 3.33Å; N421-T446 PolarHBondContact ND2-OG1 2.92Å; N421-T446 VanDerWaalsContact ND2-OG1 3.11Å; N421-K481 PolarHBondContact O-NZ 3.27Å
422D90.2Very high93.2Very high91 Ų9136 Ų3649%0.48721%0.206SC..  trans-113.63.7177.1-64.6-39.3000111.9E442 K481 M494D422-E442 PolarHBondContact N-OE2 3.12Å; D422-K481 IonicContact OD1-NZ 2.62Å; D422-K481 PolarHBondContact OD1-NZ 3.37Å; D422-M494 WeakPolarHBondContact OD2-CE 3.24Å
423S91.1Very high92.7Very high5 Ų537.8 Ų37.84%0.03522%0.219CC..  trans-106.4158.9179.5-55.40000112.4N421 V437 E439 E442 T446N421-S423 WeakPolarHBondContact OD1-CA 3.43Å; N421-S423 WeakPolarHBondContact OD1-CB 3.33Å; N421-S423 PolarHBondContact OD1-N 3.32Å; N421-S423 PolarHBondContact OD1-O 3.11Å; S423-V437 CarbonylContact C-O 3.55Å; S423-V437 WeakPolarHBondContact CA-O 3.36Å; S423-V437 WeakPolarHBondContact CB-O 3.29Å; S423-E439 PolarHBondContact OG-N 3.26Å; S423-E442 VanDerWaalsContact CB-CB 3.48Å; S423-E442 PolarHBondContact N-OE2 2.97Å; S423-E442 WeakPolarHBondContact OG-CB 3.46Å; S423-E442 PolarHBondContact OG-OE2 3.24Å; S423-T446 PolarHBondContact O-OG1 2.89Å
424S93Very high92.3Very high35 Ų3538.8 Ų38.825%0.24522%0.223CC..EExtended strand (participates in β ladder)trans-140.9174.8178.963.50000112.1V437S424-V437 PolarHBondContact N-O 2.87Å; S424-V437 PolarHBondContact O-N 2.92Å; S424-V437 WeakPolarHBondContact OG-CB 3.19Å
425L93.6Very high91.8Very high2 Ų241.5 Ų41.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-100.5146.5168.1-73.7170.4000109.8Y389 T443 T446 E450 A468 N469Y389-L425 HydrophobicContact CG-CD2 4.41Å; Y389-L425 VanDerWaalsContact O-CD2 3.32Å; Y389-L425 WeakPolarHBondContact O-CD2 3.48Å; L425-T443 HydrophobicContact CD2-CG2 3.41Å; L425-T443 VanDerWaalsContact CD2-CG2 3.41Å; L425-T443 HydrophobicContact CG-CG2 4.11Å; L425-T446 HydrophobicContact CD1-CG2 4.25Å; L425-T446 HydrophobicContact CG-CG2 4.06Å; L425-E450 HydrophobicContact CD1-CG 4.35Å; L425-A468 HydrophobicContact CB-CB 4.09Å; L425-A468 WeakPolarHBondContact CB-O 3.16Å; L425-A468 WeakPolarHBondContact CD1-O 3.28Å; L425-N469 PolarHBondContact N-OD1 2.95Å; L425-N469 PolarHBondContact O-ND2 3.01Å
426D94Very high91.4Very high72 Ų7244.2 Ų44.239%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-131.2145.3169.6-177.643.6000109.4Y434 E435 V437D426-Y434 CarbonylContact O-C 3.56Å; D426-Y434 VanDerWaalsContact O-CA 3.31Å; D426-Y434 WeakPolarHBondContact O-CA 3.42Å; D426-E435 PolarHBondContact N-O 2.94Å; D426-E435 PolarHBondContact O-N 3.23Å; D426-V437 HydrophobicContact CB-CG2 3.67Å
427F93.2Very high90.8Very high20 Ų2047.6 Ų47.69%0.08827%0.266CS..EExtended strand (participates in β ladder)trans-102.3107.7174.4-178.5-100.3000108.7E429 G432 Y434 K464 V465F427-E429 HydrophobicContact CD1-CG 4.07Å; F427-E429 HydrophobicContact CE1-CG 4.21Å; F427-E429 PolarHBondContact O-N 2.79Å; F427-E429 VanDerWaalsContact O-N 3.15Å; F427-G432 WeakPolarHBondContact CE2-O 3.39Å; F427-Y434 HydrophobicContact CB-CD1 4.04Å; F427-Y434 HydrophobicContact CB-CE1 4.01Å; F427-Y434 AromaticContact CD2-CD1 3.93Å; F427-Y434 HydrophobicContact CD2-CD1 3.93Å; F427-Y434 AromaticContact CD2-CD2 3.91Å; F427-Y434 HydrophobicContact CD2-CD2 3.91Å; F427-Y434 AromaticContact CD2-CE1 3.87Å; F427-Y434 HydrophobicContact CD2-CE1 3.87Å; F427-Y434 AromaticContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CE2 3.85Å; F427-Y434 AromaticContact CD2-CG 3.96Å; F427-Y434 HydrophobicContact CD2-CG 3.96Å; F427-Y434 AromaticContact CD2-CZ 3.84Å; F427-Y434 HydrophobicContact CE2-CD2 4.35Å; F427-Y434 HydrophobicContact CE2-CE2 4.2Å; F427-Y434 HydrophobicContact CG-CD1 4.47Å; F427-Y434 HydrophobicContact CG-CE1 4.31Å; F427-K464 HydrophobicContact CD1-CB 3.8Å; F427-K464 HydrophobicContact CD2-CB 3.97Å; F427-K464 HydrophobicContact CD2-CD 4.34Å; F427-K464 HydrophobicContact CE1-CB 3.86Å; F427-K464 HydrophobicContact CE1-CD 3.96Å; F427-K464 HydrophobicContact CE2-CB 4.05Å; F427-K464 HydrophobicContact CE2-CD 3.6Å; F427-K464 HydrophobicContact CE2-CG 4.45Å; F427-K464 HydrophobicContact CG-CB 3.85Å; F427-K464 HydrophobicContact CZ-CB 4Å; F427-K464 HydrophobicContact CZ-CD 3.37Å; F427-K464 HydrophobicContact CZ-CG 4.34Å; F427-V465 HydrophobicContact CB-CG2 4.23Å; F427-V465 HydrophobicContact CD1-CG2 3.85Å; F427-V465 HydrophobicContact CG-CG2 4.49Å
428N87.6Confident90.1Very high37 Ų3749.8 Ų49.820%0.19829%0.289CS..EExtended strand (participates in β ladder)trans-77.8103179.5-172.5-40.7000109.4A430 K431 G432 V433 E435N428-A430 VanDerWaalsContact C-N 3.26Å; N428-A430 PolarHBondContact O-N 3.44Å; N428-A430 WeakPolarHBondContact OD1-CB 3.21Å; N428-A430 PolarHBondContact OD1-N 2.75Å; N428-A430 VanDerWaalsContact OD1-N 3.1Å; N428-K431 HydrophobicContact CB-CB 4.34Å; N428-K431 PolarHBondContact O-N 2.94Å; N428-K431 PolarHBondContact OD1-N 3.4Å; N428-K431 VanDerWaalsContact OD1-N 3.09Å; N428-G432 WeakPolarHBondContact O-CA 3.33Å; N428-G432 PolarHBondContact O-N 2.8Å; N428-V433 PolarHBondContact N-O 2.8Å; N428-V433 PolarHBondContact O-N 2.9Å; N428-E435 HydrophobicContact CB-CG 4.03Å; N428-E435 WeakPolarHBondContact CB-OE2 3.21Å; N428-E435 PolarHBondContact ND2-OE2 3.05Å
429E89.2Confident89.3Confident157 Ų15751.6 Ų51.673%0.73430%0.297SS*.THydrogen-bonded Turntrans-62.1-31.9-178-65.7-171.9113.500113.1F427 V465F427-E429 HydrophobicContact CD1-CG 4.07Å; F427-E429 HydrophobicContact CE1-CG 4.21Å; F427-E429 PolarHBondContact O-N 2.79Å; F427-E429 VanDerWaalsContact O-N 3.15Å; E429-V465 HydrophobicContact CG-CG2 4.09Å
430A84.6Confident88.7Confident99 Ų9951.8 Ų51.882%0.81830%0.3SS*.THydrogen-bonded Turntrans-70.7-38.9-179.800000112.2N428N428-A430 VanDerWaalsContact C-N 3.26Å; N428-A430 PolarHBondContact O-N 3.44Å; N428-A430 WeakPolarHBondContact OD1-CB 3.21Å; N428-A430 PolarHBondContact OD1-N 2.75Å; N428-A430 VanDerWaalsContact OD1-N 3.1Å
431K78.4Confident88.2Confident137 Ų13752.2 Ų52.260%0.59630%0.302SS*.THydrogen-bonded Turntrans-89.8-17.3177.2-64.5-178.5-176.5174.70113.3N428 V433 E435N428-K431 HydrophobicContact CB-CB 4.34Å; N428-K431 PolarHBondContact O-N 2.94Å; N428-K431 PolarHBondContact OD1-N 3.4Å; N428-K431 VanDerWaalsContact OD1-N 3.09Å; K431-V433 VanDerWaalsContact C-N 3.31Å; K431-V433 HydrophobicContact CB-CG2 3.79Å; K431-V433 HydrophobicContact CD-CG2 4.47Å; K431-V433 PolarHBondContact O-N 2.89Å; K431-E435 VanDerWaalsContact CD-OE1 3.24Å; K431-E435 WeakPolarHBondContact CD-OE1 3.23Å; K431-E435 WeakPolarHBondContact CE-OE1 3.29Å; K431-E435 IonicContact NZ-OE1 3.22Å; K431-E435 PolarHBondContact NZ-OE1 3.41Å
432G87.2Confident88.1Confident40 Ų4052.4 Ų52.441%0.41230%0.303SS..THydrogen-bonded Turntrans70.121-176.900000114.7F427 N428F427-G432 WeakPolarHBondContact CE2-O 3.39Å; N428-G432 WeakPolarHBondContact O-CA 3.33Å; N428-G432 PolarHBondContact O-N 2.8Å
433V87.5Confident88.3Confident70 Ų7048 Ų4842%0.42428%0.279SS..EExtended strand (participates in β ladder)trans-129.3154.9-175.1-610000112.3N428 K431 E435N428-V433 PolarHBondContact N-O 2.8Å; N428-V433 PolarHBondContact O-N 2.9Å; K431-V433 VanDerWaalsContact C-N 3.31Å; K431-V433 HydrophobicContact CB-CG2 3.79Å; K431-V433 HydrophobicContact CD-CG2 4.47Å; K431-V433 PolarHBondContact O-N 2.89Å; V433-E435 HydrophobicContact CG2-CG 4.14Å
434Y90.7Very high88.5Confident21 Ų2147.9 Ų47.98%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-79.4123.6171-66.3-90.7000110A390 P391 D426 F427 K464 A468A390-Y434 HydrophobicContact CB-CD2 3.65Å; A390-Y434 HydrophobicContact CB-CE2 4.17Å; A390-Y434 HydrophobicContact CB-CG 4.4Å; P391-Y434 HydrophobicContact CG-CE1 3.98Å; P391-Y434 HydrophobicContact CG-CE2 4.4Å; D426-Y434 CarbonylContact O-C 3.56Å; D426-Y434 VanDerWaalsContact O-CA 3.31Å; D426-Y434 WeakPolarHBondContact O-CA 3.42Å; F427-Y434 HydrophobicContact CB-CD1 4.04Å; F427-Y434 HydrophobicContact CB-CE1 4.01Å; F427-Y434 AromaticContact CD2-CD1 3.93Å; F427-Y434 HydrophobicContact CD2-CD1 3.93Å; F427-Y434 AromaticContact CD2-CD2 3.91Å; F427-Y434 HydrophobicContact CD2-CD2 3.91Å; F427-Y434 AromaticContact CD2-CE1 3.87Å; F427-Y434 HydrophobicContact CD2-CE1 3.87Å; F427-Y434 AromaticContact CD2-CE2 3.85Å; F427-Y434 HydrophobicContact CD2-CE2 3.85Å; F427-Y434 AromaticContact CD2-CG 3.96Å; F427-Y434 HydrophobicContact CD2-CG 3.96Å; F427-Y434 AromaticContact CD2-CZ 3.84Å; F427-Y434 HydrophobicContact CE2-CD2 4.35Å; F427-Y434 HydrophobicContact CE2-CE2 4.2Å; F427-Y434 HydrophobicContact CG-CD1 4.47Å; F427-Y434 HydrophobicContact CG-CE1 4.31Å; Y434-K464 WeakPolarHBondContact CE1-O 3.14Å; Y434-K464 PolarHBondContact OH-O 3.12Å; Y434-A468 HydrophobicContact CD1-CB 4.15Å; Y434-A468 HydrophobicContact CE1-CB 3.99Å
435E86.6Confident88.7Confident56 Ų5646.2 Ų46.226%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-108.9154.9178.9-63.9-169.6137.300111D426 N428 K431 V433D426-E435 PolarHBondContact N-O 2.94Å; D426-E435 PolarHBondContact O-N 3.23Å; N428-E435 HydrophobicContact CB-CG 4.03Å; N428-E435 WeakPolarHBondContact CB-OE2 3.21Å; N428-E435 PolarHBondContact ND2-OE2 3.05Å; K431-E435 VanDerWaalsContact CD-OE1 3.24Å; K431-E435 WeakPolarHBondContact CD-OE1 3.23Å; K431-E435 WeakPolarHBondContact CE-OE1 3.29Å; K431-E435 IonicContact NZ-OE1 3.22Å; K431-E435 PolarHBondContact NZ-OE1 3.41Å; V433-E435 HydrophobicContact CG2-CG 4.14Å
436K89.4Confident88.9Confident75 Ų7546.1 Ų46.133%0.32627%0.266SS..EExtended strand (participates in β ladder)trans-80140.1174.472.5-176.3-176.785.10110.4Y389 G438 A440 T443Y389-K436 HydrophobicContact CD2-CB 4.21Å; Y389-K436 HydrophobicContact CE2-CB 3.97Å; Y389-K436 HydrophobicContact CE2-CD 4.04Å; Y389-K436 HydrophobicContact CE2-CG 4.35Å; K436-G438 PolarHBondContact NZ-O 2.93Å; K436-G438 VanDerWaalsContact NZ-O 3.07Å; K436-A440 HydrophobicContact CD-CB 4.26Å; K436-T443 HydrophobicContact CB-CG2 3.68Å
437V86.3Confident89.1Confident71 Ų7142.9 Ų42.943%0.4325%0.249SC..EExtended strand (participates in β ladder)trans-116.2108.9164.1-178.90000107.2S423 S424 D426S423-V437 CarbonylContact C-O 3.55Å; S423-V437 WeakPolarHBondContact CA-O 3.36Å; S423-V437 WeakPolarHBondContact CB-O 3.29Å; S424-V437 PolarHBondContact N-O 2.87Å; S424-V437 PolarHBondContact O-N 2.92Å; S424-V437 WeakPolarHBondContact OG-CB 3.19Å; D426-V437 HydrophobicContact CB-CG2 3.67Å
438G83.8Confident89.4Confident46 Ų4642 Ų4247%0.47425%0.245SC..SBendtrans103.6-146.3-17400000113.7K436K436-G438 PolarHBondContact NZ-O 2.93Å; K436-G438 VanDerWaalsContact NZ-O 3.07Å
439E78.9Confident89.9Confident40 Ų4040.4 Ų40.419%0.18724%0.237CC..  trans-84.5136.8-173.2-64.4-163.1154.500112.1R174 S186 S423 T441 E442 T443R174-E439 IonicContact CZ-OE1 2.93Å; R174-E439 IonicContact NH1-OE1 3.21Å; R174-E439 PolarHBondContact NH1-OE1 3.22Å; R174-E439 IonicContact NH1-OE2 3.63Å; R174-E439 PolarHBondContact NH1-OE2 3.5Å; S186-E439 PolarHBondContact OG-OE1 2.9Å; S423-E439 PolarHBondContact OG-N 3.26Å; E439-T441 VanDerWaalsContact C-N 3.26Å; E439-T441 PolarHBondContact O-N 2.82Å; E439-E442 HydrophobicContact CB-CB 4.34Å; E439-E442 HydrophobicContact CB-CG 4.22Å; E439-E442 PolarHBondContact O-N 3.27Å; E439-T443 PolarHBondContact O-N 3.15Å; E439-T443 PolarHBondContact O-OG1 3.21Å
440A84.4Confident90.3Very high8 Ų833 Ų337%0.06620%0.202CC..Hα-helixtrans-53.9-42179.400000112.8M361 Y389 K436 E442 A444M361-A440 HydrophobicContact CB-CB 4Å; M361-A440 WeakPolarHBondContact CB-O 3.17Å; Y389-A440 VanDerWaalsContact OH-CB 3.22Å; Y389-A440 WeakPolarHBondContact OH-CB 3.46Å; K436-A440 HydrophobicContact CD-CB 4.26Å; A440-E442 VanDerWaalsContact C-N 3.31Å; A440-E442 PolarHBondContact O-N 2.77Å; A440-A444 WeakPolarHBondContact O-CB 3.45Å; A440-A444 PolarHBondContact O-N 2.86Å
441T87.6Confident90.9Very high8 Ų829.1 Ų29.15%0.04917%0.167CC..Hα-helixtrans-60.2-40.9177.7-61.50000111.9E439 L562 M599E439-T441 VanDerWaalsContact C-N 3.26Å; E439-T441 PolarHBondContact O-N 2.82Å; T441-L562 HydrophobicContact CG2-CD1 3.82Å; T441-M599 HydrophobicContact CG2-CE 4.1Å; T441-M599 HydrophobicContact CG2-SD 3.68Å
442E92.3Very high91.8Very high10 Ų1022.7 Ų22.75%0.04714%0.139CC..Hα-helixtrans-80.8-38.5-177.6-67.9-157.7153.700112.3N421 D422 S423 E439 A440 A444 L445 T446 M494 K515N421-E442 PolarHBondContact ND2-O 3.47Å; N421-E442 WeakPolarHBondContact OD1-CB 3.16Å; N421-E442 PolarHBondContact OD1-OE2 3.33Å; D422-E442 PolarHBondContact N-OE2 3.12Å; S423-E442 VanDerWaalsContact CB-CB 3.48Å; S423-E442 PolarHBondContact N-OE2 2.97Å; S423-E442 WeakPolarHBondContact OG-CB 3.46Å; S423-E442 PolarHBondContact OG-OE2 3.24Å; E439-E442 HydrophobicContact CB-CB 4.34Å; E439-E442 HydrophobicContact CB-CG 4.22Å; E439-E442 PolarHBondContact O-N 3.27Å; A440-E442 VanDerWaalsContact C-N 3.31Å; A440-E442 PolarHBondContact O-N 2.77Å; E442-A444 PolarHBondContact O-N 3.12Å; E442-L445 WeakPolarHBondContact O-CA 3.46Å; E442-L445 VanDerWaalsContact O-CB 3.3Å; E442-L445 WeakPolarHBondContact O-CB 3.24Å; E442-L445 PolarHBondContact O-N 2.88Å; E442-T446 PolarHBondContact O-N 3.28Å; E442-T446 PolarHBondContact O-OG1 3.24Å; E442-M494 WeakPolarHBondContact OE1-CE 3.36Å; E442-K515 WeakPolarHBondContact OE1-CE 3.33Å; E442-K515 IonicContact OE1-NZ 3.63Å; E442-K515 PolarHBondContact OE1-NZ 2.92Å
443T94.7Very high92.3Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-61.7-33.6172.7-55.80000111.7Y389 L425 K436 E439 L445 T446 T447Y389-T443 HydrophobicContact CD1-CG2 3.59Å; Y389-T443 HydrophobicContact CE1-CG2 3.88Å; Y389-T443 HydrophobicContact CG-CG2 4.11Å; L425-T443 HydrophobicContact CD2-CG2 3.41Å; L425-T443 VanDerWaalsContact CD2-CG2 3.41Å; L425-T443 HydrophobicContact CG-CG2 4.11Å; K436-T443 HydrophobicContact CB-CG2 3.68Å; E439-T443 PolarHBondContact O-N 3.15Å; E439-T443 PolarHBondContact O-OG1 3.21Å; T443-L445 VanDerWaalsContact C-N 3.26Å; T443-L445 PolarHBondContact O-N 3.49Å; T443-T446 WeakPolarHBondContact O-CB 3.47Å; T443-T446 PolarHBondContact O-N 3.03Å; T443-T447 WeakPolarHBondContact O-CB 3.47Å; T443-T447 PolarHBondContact O-N 3.18Å; T443-T447 PolarHBondContact O-OG1 2.93Å
444A95.6Very high92.8Very high1 Ų119.3 Ų19.31%0.00811%0.109CC..Hα-helixtrans-59.2-38.1171.500000112.1M361 V363 A440 E442 L448 M599M361-A444 HydrophobicContact CB-CB 4.14Å; M361-A444 HydrophobicContact CG-CB 3.89Å; M361-A444 WeakPolarHBondContact O-CB 3.14Å; V363-A444 HydrophobicContact CG2-CB 4.24Å; A440-A444 WeakPolarHBondContact O-CB 3.45Å; A440-A444 PolarHBondContact O-N 2.86Å; E442-A444 PolarHBondContact O-N 3.12Å; A444-L448 WeakPolarHBondContact O-CB 3.47Å; A444-L448 PolarHBondContact O-N 3.23Å; A444-M599 HydrophobicContact CB-CE 4.49Å; A444-M599 HydrophobicContact CB-SD 4.23Å
445L97.9Very high93.1Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-69.6-41.1174.6-54.8179.7000111.4V363 C417 E442 T443 T447 L448 V449 K515 L562 V597 M599V363-L445 HydrophobicContact CG2-CD2 4.27Å; C417-L445 HydrophobicContact CB-CB 4.04Å; E442-L445 WeakPolarHBondContact O-CA 3.46Å; E442-L445 VanDerWaalsContact O-CB 3.3Å; E442-L445 WeakPolarHBondContact O-CB 3.24Å; E442-L445 PolarHBondContact O-N 2.88Å; T443-L445 VanDerWaalsContact C-N 3.26Å; T443-L445 PolarHBondContact O-N 3.49Å; L445-T447 VanDerWaalsContact C-N 3.31Å; L445-T447 PolarHBondContact O-N 3.42Å; L445-L448 WeakPolarHBondContact O-CB 3.49Å; L445-L448 PolarHBondContact O-N 3.37Å; L445-V449 WeakPolarHBondContact O-CG2 3.47Å; L445-V449 PolarHBondContact O-N 2.81Å; L445-K515 HydrophobicContact CD1-CD 3.91Å; L445-L562 HydrophobicContact CD1-CD1 4.35Å; L445-V597 HydrophobicContact CD2-CG2 3.73Å; L445-M599 HydrophobicContact CD2-CE 3.71Å; L445-M599 HydrophobicContact CG-CE 4.35Å
446T97.9Very high93.5Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-58.2-46.7174.2-540000110.4N421 S423 L425 E442 T443 V449 E450 N472N421-T446 PolarHBondContact ND2-OG1 2.92Å; N421-T446 VanDerWaalsContact ND2-OG1 3.11Å; S423-T446 PolarHBondContact O-OG1 2.89Å; L425-T446 HydrophobicContact CD1-CG2 4.25Å; L425-T446 HydrophobicContact CG-CG2 4.06Å; E442-T446 PolarHBondContact O-N 3.28Å; E442-T446 PolarHBondContact O-OG1 3.24Å; T443-T446 WeakPolarHBondContact O-CB 3.47Å; T443-T446 PolarHBondContact O-N 3.03Å; T446-V449 PolarHBondContact O-N 2.88Å; T446-E450 PolarHBondContact O-N 3.09Å; T446-N472 WeakPolarHBondContact CG2-ND2 3.39Å; T446-N472 PolarHBondContact O-ND2 3.39Å
447T97.8Very high93.7Very high4 Ų423 Ų233%0.02513%0.134CC..Hα-helixtrans-63-42.7177.2-50.60000111.6T443 L445 V449 E450 K451T443-T447 WeakPolarHBondContact O-CB 3.47Å; T443-T447 PolarHBondContact O-N 3.18Å; T443-T447 PolarHBondContact O-OG1 2.93Å; L445-T447 VanDerWaalsContact C-N 3.31Å; L445-T447 PolarHBondContact O-N 3.42Å; T447-V449 VanDerWaalsContact C-N 3.32Å; T447-V449 PolarHBondContact O-N 3.17Å; T447-E450 PolarHBondContact O-N 3.43Å; T447-K451 HydrophobicContact CG2-CD 4.38Å; T447-K451 WeakPolarHBondContact O-CG 3.47Å; T447-K451 PolarHBondContact O-N 3.34Å
448L98.3Very high94.1Very high3 Ų324.7 Ų24.72%0.01614%0.14CC..Hα-helixtrans-56.9-46175.5173.568.4000111.1V363 M366 I384 L413 A444 L445 E450 K451 M452 V597V363-L448 HydrophobicContact CB-CB 4.28Å; V363-L448 HydrophobicContact CB-CD1 4.19Å; V363-L448 HydrophobicContact CB-CD2 4.31Å; V363-L448 HydrophobicContact CB-CG 4.48Å; V363-L448 HydrophobicContact CG1-CD1 4.11Å; V363-L448 HydrophobicContact CG1-CD2 4.06Å; V363-L448 HydrophobicContact CG2-CB 4.08Å; V363-L448 HydrophobicContact CG2-CD2 4.12Å; M366-L448 HydrophobicContact SD-CD1 4.23Å; M366-L448 HydrophobicContact SD-CD2 4.48Å; I384-L448 HydrophobicContact CD1-CD1 4.23Å; I384-L448 HydrophobicContact CG1-CD1 3.8Å; I384-L448 HydrophobicContact CG2-CD1 4.4Å; L413-L448 HydrophobicContact CD2-CD2 4.18Å; A444-L448 WeakPolarHBondContact O-CB 3.47Å; A444-L448 PolarHBondContact O-N 3.23Å; L445-L448 WeakPolarHBondContact O-CB 3.49Å; L445-L448 PolarHBondContact O-N 3.37Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.81Å; L448-K451 PolarHBondContact O-N 3.47Å; L448-K451 VanDerWaalsContact O-N 3.16Å; L448-M452 HydrophobicContact CD1-CG 3.95Å; L448-M452 HydrophobicContact CD1-SD 3.94Å; L448-M452 HydrophobicContact CD2-SD 4.08Å; L448-M452 HydrophobicContact CG-CG 4.15Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 WeakPolarHBondContact O-CB 3.45Å; L448-M452 VanDerWaalsContact O-CG 3.26Å; L448-M452 WeakPolarHBondContact O-CG 3.49Å; L448-M452 PolarHBondContact O-N 3.46Å; L448-V597 HydrophobicContact CD2-CG1 3.77Å
449V98.4Very high94.6Very high2 Ų223.7 Ų23.71%0.01213%0.125CC..Hα-helixtrans-60-41.4178.5170.60000111.2A414 C417 A418 L445 T446 T447 K451 M452 N453 C471 N472 I475A414-V449 HydrophobicContact CB-CG2 4.38Å; A414-V449 WeakPolarHBondContact O-CG2 3.25Å; C417-V449 HydrophobicContact CB-CG2 3.57Å; A418-V449 HydrophobicContact CB-CG1 4.24Å; A418-V449 HydrophobicContact CB-CG2 4.07Å; L445-V449 WeakPolarHBondContact O-CG2 3.47Å; L445-V449 PolarHBondContact O-N 2.81Å; T446-V449 PolarHBondContact O-N 2.88Å; T447-V449 VanDerWaalsContact C-N 3.32Å; T447-V449 PolarHBondContact O-N 3.17Å; V449-K451 VanDerWaalsContact C-N 3.35Å; V449-K451 PolarHBondContact O-N 3.3Å; V449-M452 PolarHBondContact O-N 2.74Å; V449-N453 PolarHBondContact O-N 3.16Å; V449-N453 VanDerWaalsContact O-N 3.09Å; V449-C471 HydrophobicContact CG1-CB 4.1Å; V449-N472 HydrophobicContact CG1-CB 4.45Å; V449-I475 HydrophobicContact CG1-CD1 3.68Å
450E98.1Very high95.2Very high1 Ų133 Ų331%0.00516%0.158CC..Hα-helixtrans-65.6-35.5176.8-64-53.214600113P391 L425 T446 T447 L448 R467 N469 A470 C471 N472P391-E450 HydrophobicContact CB-CB 3.57Å; P391-E450 HydrophobicContact CB-CG 4.21Å; L425-E450 HydrophobicContact CD1-CG 4.35Å; T446-E450 PolarHBondContact O-N 3.09Å; T447-E450 PolarHBondContact O-N 3.43Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.81Å; E450-R467 PolarHBondContact O-NH2 2.94Å; E450-R467 IonicContact OE2-CZ 2.76Å; E450-R467 IonicContact OE2-NH1 2.79Å; E450-R467 PolarHBondContact OE2-NH1 3.16Å; E450-R467 IonicContact OE2-NH2 2.9Å; E450-N469 VanDerWaalsContact OE1-CA 3.31Å; E450-N469 WeakPolarHBondContact OE1-CA 3.23Å; E450-A470 PolarHBondContact OE1-N 3.27Å; E450-A470 PolarHBondContact OE2-N 2.85Å; E450-C471 VanDerWaalsContact CD-N 3.33Å; E450-C471 PolarHBondContact OE1-N 3.35Å; E450-C471 VanDerWaalsContact OE2-CB 3.23Å; E450-C471 WeakPolarHBondContact OE2-CB 3.32Å; E450-C471 PolarHBondContact OE2-N 3.38Å; E450-C471 PolarHBondContact OE2-SG 3.33Å; E450-N472 PolarHBondContact OE1-N 2.77Å; E450-N472 PolarHBondContact OE1-ND2 3.34Å
451K97.6Very high95.5Very high19 Ų1937 Ų378%0.08319%0.185CC..Hα-helixtrans-73.7-35.9175.1-68.7176.1179.5178.40112.3I384 T385 G386 E392 T447 L448 V449I384-K451 HydrophobicContact CG2-CD 3.78Å; T385-K451 WeakPolarHBondContact O-CE 3.41Å; T385-K451 PolarHBondContact O-NZ 2.96Å; G386-K451 PolarHBondContact O-NZ 3.06Å; E392-K451 VanDerWaalsContact O-CE 3.3Å; E392-K451 WeakPolarHBondContact O-CE 3.4Å; T447-K451 HydrophobicContact CG2-CD 4.38Å; T447-K451 WeakPolarHBondContact O-CG 3.47Å; T447-K451 PolarHBondContact O-N 3.34Å; L448-K451 PolarHBondContact O-N 3.47Å; L448-K451 VanDerWaalsContact O-N 3.16Å; V449-K451 VanDerWaalsContact C-N 3.35Å; V449-K451 PolarHBondContact O-N 3.3Å
452M97.9Very high95.9Very high2 Ų239.4 Ų39.41%0.0120%0.198CC..Hα-helixtrans-70.3-39.6-179.1-73.2174.27600112.3M366 V395 P404 L410 L413 A414 L448 V449 V454M366-M452 HydrophobicContact CE-CE 4.08Å; M366-M452 HydrophobicContact CE-CG 4.27Å; M366-M452 HydrophobicContact CE-SD 4.27Å; M366-M452 HydrophobicContact SD-CE 4.1Å; M366-M452 HydrophobicContact SD-SD 4.05Å; V395-M452 HydrophobicContact CG2-CG 3.97Å; P404-M452 HydrophobicContact CB-CB 4.2Å; P404-M452 HydrophobicContact CB-CE 4.4Å; P404-M452 WeakPolarHBondContact CB-O 3.38Å; P404-M452 WeakPolarHBondContact CD-O 3.35Å; P404-M452 HydrophobicContact CG-CB 4.28Å; P404-M452 VanDerWaalsContact CG-O 3.23Å; P404-M452 WeakPolarHBondContact CG-O 3.12Å; L410-M452 HydrophobicContact CB-CE 3.69Å; L410-M452 HydrophobicContact CD2-CE 4.14Å; L410-M452 HydrophobicContact CG-CE 4.35Å; L410-M452 VanDerWaalsContact O-CE 3.24Å; L410-M452 WeakPolarHBondContact O-CE 3.39Å; L413-M452 HydrophobicContact CD2-CE 4.13Å; L413-M452 HydrophobicContact CD2-SD 4.13Å; A414-M452 HydrophobicContact CB-CE 3.95Å; A414-M452 HydrophobicContact CB-SD 4.07Å; L448-M452 HydrophobicContact CD1-CG 3.95Å; L448-M452 HydrophobicContact CD1-SD 3.94Å; L448-M452 HydrophobicContact CD2-SD 4.08Å; L448-M452 HydrophobicContact CG-CG 4.15Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 WeakPolarHBondContact O-CB 3.45Å; L448-M452 VanDerWaalsContact O-CG 3.26Å; L448-M452 WeakPolarHBondContact O-CG 3.49Å; L448-M452 PolarHBondContact O-N 3.46Å; V449-M452 PolarHBondContact O-N 2.74Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.93Å; M452-V454 HydrophobicContact CE-CG1 3.86Å; M452-V454 PolarHBondContact O-N 3.29Å
453N97.6Very high96Very high29 Ų2941.5 Ų41.516%0.15521%0.214CC..  trans39.955.8-178.4-170.65.1000112.7V449 F455 N456 T457V449-N453 PolarHBondContact O-N 3.16Å; V449-N453 VanDerWaalsContact O-N 3.09Å; N453-F455 PolarHBondContact O-N 3.36Å; N453-N456 PolarHBondContact O-N 3.41Å; N453-N456 PolarHBondContact OD1-N 2.88Å; N453-T457 PolarHBondContact ND2-O 3.42Å; N453-T457 PolarHBondContact OD1-N 3.08Å
454V97.1Very high96Very high9 Ų947.2 Ų47.26%0.05524%0.238CC..THydrogen-bonded Turntrans-62.1-20.9-169.6-63.20000113.8P404 G405 V411 A414 M452P404-V454 HydrophobicContact CB-CG1 4.07Å; G405-V454 WeakPolarHBondContact CA-O 3.48Å; V411-V454 HydrophobicContact CG1-CG2 4.31Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; A414-V454 HydrophobicContact CB-CB 4.48Å; A414-V454 HydrophobicContact CB-CG1 3.67Å; A414-V454 HydrophobicContact CB-CG2 3.93Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.93Å; M452-V454 HydrophobicContact CE-CG1 3.86Å; M452-V454 PolarHBondContact O-N 3.29Å
455F96.1Very high95.8Very high84 Ų8450.1 Ų50.137%0.36826%0.256SS..THydrogen-bonded Turntrans-975177-67.1-69.1000113.9V411 N453 T457 V474 I475 L478V411-F455 HydrophobicContact CG1-CE1 4.15Å; V411-F455 HydrophobicContact CG1-CE2 4.37Å; V411-F455 HydrophobicContact CG1-CZ 3.7Å; N453-F455 PolarHBondContact O-N 3.36Å; F455-T457 PolarHBondContact O-N 2.92Å; F455-V474 HydrophobicContact CB-CG1 4.32Å; F455-V474 HydrophobicContact CD2-CG1 4.06Å; F455-V474 HydrophobicContact CG-CG1 4.35Å; F455-I475 HydrophobicContact CD2-CG1 4.29Å; F455-I475 HydrophobicContact CE2-CG1 3.94Å; F455-L478 HydrophobicContact CD2-CD1 4.42Å; F455-L478 HydrophobicContact CE1-CD1 4.03Å; F455-L478 HydrophobicContact CE2-CD1 3.6Å; F455-L478 HydrophobicContact CZ-CD1 3.37Å
456N95.3Very high95.6Very high103 Ų10356 Ų5655%0.55128%0.283SS*.  trans5140.7-177.4-52.6-73.9000112.9N453N453-N456 PolarHBondContact O-N 3.41Å; N453-N456 PolarHBondContact OD1-N 2.88Å
457T94.7Very high95.5Very high43 Ų4357.3 Ų57.326%0.26429%0.288SS..  trans-60.9140.1175.1-54.90000109.9N453 F455 V459 V474N453-T457 PolarHBondContact ND2-O 3.42Å; N453-T457 PolarHBondContact OD1-N 3.08Å; F455-T457 PolarHBondContact O-N 2.92Å; T457-V459 HydrophobicContact CG2-CG1 4.41Å; T457-V459 PolarHBondContact O-N 3.08Å; T457-V459 VanDerWaalsContact O-N 3.16Å; T457-V474 HydrophobicContact CG2-CG2 4.01Å
458D94.4Very high95.3Very high106 Ų10657.1 Ų57.157%0.56729%0.288SS*.  trans-72.7108.9173-169.70000109.8R460D458-R460 PolarHBondContact OD1-N 2.92Å
459V94.4Very high95.2Very high25 Ų2558.6 Ų58.615%0.15230%0.296CS..  trans-111.5-4.4-177.7-64.40000112.5T457 L462 A470T457-V459 HydrophobicContact CG2-CG1 4.41Å; T457-V459 PolarHBondContact O-N 3.08Å; T457-V459 VanDerWaalsContact O-N 3.16Å; V459-L462 HydrophobicContact CB-CD1 4.36Å; V459-L462 HydrophobicContact CG1-CD1 4.35Å; V459-A470 HydrophobicContact CG1-CB 4.06Å
460R91.6Very high95.1Very high236 Ų23659.1 Ų59.189%0.89130%0.3SS*.THydrogen-bonded Turntrans-79.1-28.3-174.5-68.8-179.1179.7179.2-1.2112.6D458 L462D458-R460 PolarHBondContact OD1-N 2.92Å; R460-L462 VanDerWaalsContact C-N 3.32Å
461S91.1Very high95Very high91 Ų9159.3 Ų59.364%0.63630%0.301SS*.THydrogen-bonded Turntrans-84.8-5.3178.661.40000113.7
462L94.8Very high95Very high59 Ų5958.4 Ų58.431%0.30930%0.298SS..SBendtrans-81.5146-176.7-60.1-179.9000111.1V459 R460 E466 R467 A470V459-L462 HydrophobicContact CB-CD1 4.36Å; V459-L462 HydrophobicContact CG1-CD1 4.35Å; R460-L462 VanDerWaalsContact C-N 3.32Å; L462-E466 HydrophobicContact CB-CB 4.18Å; L462-E466 HydrophobicContact CD2-CB 4.46Å; L462-R467 HydrophobicContact CB-CB 4.38Å; L462-A470 HydrophobicContact CD1-CB 3.54Å
463S94.5Very high94.9Very high55 Ų5560.6 Ų60.639%0.38531%0.313SS..  trans-63162.5166.364.70000111.1V465 E466 R467S463-V465 VanDerWaalsContact C-N 3.25Å; S463-V465 PolarHBondContact O-N 3.39Å; S463-E466 PolarHBondContact N-OE2 2.76Å; S463-E466 VanDerWaalsContact N-OE2 3.14Å; S463-E466 PolarHBondContact O-N 2.88Å; S463-E466 WeakPolarHBondContact OG-CB 3.31Å; S463-E466 VanDerWaalsContact OG-CD 3.24Å; S463-E466 VanDerWaalsContact OG-CG 3.25Å; S463-E466 WeakPolarHBondContact OG-CG 3.32Å; S463-E466 PolarHBondContact OG-N 3.42Å; S463-E466 PolarHBondContact OG-OE2 2.95Å; S463-R467 WeakPolarHBondContact O-CB 3.34Å; S463-R467 PolarHBondContact O-N 3.08Å
464K94Very high94.8Very high119 Ų11960.9 Ų60.952%0.51732%0.315SS..Hα-helixtrans-59-37177.9-68-171.6177.8-175.50112.6F427 Y434 A468F427-K464 HydrophobicContact CD1-CB 3.8Å; F427-K464 HydrophobicContact CD2-CB 3.97Å; F427-K464 HydrophobicContact CD2-CD 4.34Å; F427-K464 HydrophobicContact CE1-CB 3.86Å; F427-K464 HydrophobicContact CE1-CD 3.96Å; F427-K464 HydrophobicContact CE2-CB 4.05Å; F427-K464 HydrophobicContact CE2-CD 3.6Å; F427-K464 HydrophobicContact CE2-CG 4.45Å; F427-K464 HydrophobicContact CG-CB 3.85Å; F427-K464 HydrophobicContact CZ-CB 4Å; F427-K464 HydrophobicContact CZ-CD 3.37Å; F427-K464 HydrophobicContact CZ-CG 4.34Å; Y434-K464 WeakPolarHBondContact CE1-O 3.14Å; Y434-K464 PolarHBondContact OH-O 3.12Å; K464-A468 PolarHBondContact O-N 2.8Å
465V92.7Very high94.7Very high63 Ų6360.5 Ų60.538%0.38231%0.313SS..Hα-helixtrans-66.3-49.3177.4-179.20000110.9F427 E429 S463 R467 A468F427-V465 HydrophobicContact CB-CG2 4.23Å; F427-V465 HydrophobicContact CD1-CG2 3.85Å; F427-V465 HydrophobicContact CG-CG2 4.49Å; E429-V465 HydrophobicContact CG-CG2 4.09Å; S463-V465 VanDerWaalsContact C-N 3.25Å; S463-V465 PolarHBondContact O-N 3.39Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.17Å; V465-A468 WeakPolarHBondContact O-CB 3.34Å; V465-A468 PolarHBondContact O-N 3.42Å
466E92.8Very high94.5Very high122 Ų12261.1 Ų61.157%0.5731%0.313SS*.Hα-helixtrans-67.4-33.3178.5-67.9164.1152.800112.3L462 S463 A468L462-E466 HydrophobicContact CB-CB 4.18Å; L462-E466 HydrophobicContact CD2-CB 4.46Å; S463-E466 PolarHBondContact N-OE2 2.76Å; S463-E466 VanDerWaalsContact N-OE2 3.14Å; S463-E466 PolarHBondContact O-N 2.88Å; S463-E466 WeakPolarHBondContact OG-CB 3.31Å; S463-E466 VanDerWaalsContact OG-CD 3.24Å; S463-E466 VanDerWaalsContact OG-CG 3.25Å; S463-E466 WeakPolarHBondContact OG-CG 3.32Å; S463-E466 PolarHBondContact OG-N 3.42Å; S463-E466 PolarHBondContact OG-OE2 2.95Å; E466-A468 PolarHBondContact O-N 2.82Å
467R95.3Very high94.4Very high28 Ų2862.8 Ų62.811%0.10632%0.317CS..Hα-helixtrans-61.3-30.6178.5176.465.4-162.4109.5-8.5112.3P391 E450 L462 S463 V465 N469 A470P391-R467 HydrophobicContact CG-CG 3.81Å; E450-R467 PolarHBondContact O-NH2 2.94Å; E450-R467 IonicContact OE2-CZ 2.76Å; E450-R467 IonicContact OE2-NH1 2.79Å; E450-R467 PolarHBondContact OE2-NH1 3.16Å; E450-R467 IonicContact OE2-NH2 2.9Å; L462-R467 HydrophobicContact CB-CB 4.38Å; S463-R467 WeakPolarHBondContact O-CB 3.34Å; S463-R467 PolarHBondContact O-N 3.08Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.17Å; R467-N469 VanDerWaalsContact C-N 3.25Å; R467-N469 PolarHBondContact O-N 3.16Å; R467-N469 VanDerWaalsContact O-N 3.16Å; R467-A470 PolarHBondContact O-N 3.1Å
468A93.7Very high94.2Very high1 Ų163.8 Ų63.81%0.00832%0.321CS..THydrogen-bonded Turntrans-53.7-37.5-171.900000113.7L425 Y434 K464 V465 E466L425-A468 HydrophobicContact CB-CB 4.09Å; L425-A468 WeakPolarHBondContact CB-O 3.16Å; L425-A468 WeakPolarHBondContact CD1-O 3.28Å; Y434-A468 HydrophobicContact CD1-CB 4.15Å; Y434-A468 HydrophobicContact CE1-CB 3.99Å; K464-A468 PolarHBondContact O-N 2.8Å; V465-A468 WeakPolarHBondContact O-CB 3.34Å; V465-A468 PolarHBondContact O-N 3.42Å; E466-A468 PolarHBondContact O-N 2.82Å
469N96.1Very high94Very high34 Ų3459.9 Ų59.918%0.18230%0.3CS..THydrogen-bonded Turntrans-13124-176.7-59.8-80000113.4L425 E450 R467 S473L425-N469 PolarHBondContact N-OD1 2.95Å; L425-N469 PolarHBondContact O-ND2 3.01Å; E450-N469 VanDerWaalsContact OE1-CA 3.31Å; E450-N469 WeakPolarHBondContact OE1-CA 3.23Å; R467-N469 VanDerWaalsContact C-N 3.25Å; R467-N469 PolarHBondContact O-N 3.16Å; R467-N469 VanDerWaalsContact O-N 3.16Å; N469-S473 VanDerWaalsContact O-CB 3.24Å; N469-S473 WeakPolarHBondContact O-CB 3.46Å; N469-S473 PolarHBondContact O-N 3.04Å; N469-S473 PolarHBondContact O-OG 2.86Å
470A96.6Very high93.9Very high13 Ų1364 Ų6411%0.10732%0.315CS..Hα-helixtrans-60-55.6-171.600000112.8E450 V459 L462 R467 S473 V474E450-A470 PolarHBondContact OE1-N 3.27Å; E450-A470 PolarHBondContact OE2-N 2.85Å; V459-A470 HydrophobicContact CG1-CB 4.06Å; L462-A470 HydrophobicContact CD1-CB 3.54Å; R467-A470 PolarHBondContact O-N 3.1Å; A470-S473 PolarHBondContact O-N 3.43Å; A470-V474 WeakPolarHBondContact O-CG2 3.45Å; A470-V474 PolarHBondContact O-N 2.95Å; A470-V474 VanDerWaalsContact O-N 3.16Å
471C97.3Very high94Very high5 Ų556.9 Ų56.93%0.03429%0.291CS..Hα-helixtrans-69.9-38.4-177.5-550000111.4V449 E450 S473 V474 I475V449-C471 HydrophobicContact CG1-CB 4.1Å; E450-C471 VanDerWaalsContact CD-N 3.33Å; E450-C471 PolarHBondContact OE1-N 3.35Å; E450-C471 VanDerWaalsContact OE2-CB 3.23Å; E450-C471 WeakPolarHBondContact OE2-CB 3.32Å; E450-C471 PolarHBondContact OE2-N 3.38Å; E450-C471 PolarHBondContact OE2-SG 3.33Å; C471-S473 VanDerWaalsContact C-N 3.27Å; C471-S473 PolarHBondContact O-N 3.16Å; C471-V474 WeakPolarHBondContact O-CB 3.31Å; C471-V474 PolarHBondContact O-N 3.48Å; C471-I475 PolarHBondContact O-N 3.21Å; C471-I475 VanDerWaalsContact O-N 3.17Å
472N96.9Very high94.1Very high0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-60-40.5174.4-78.8-87.1000111.2A418 T446 V449 E450 I475 R476A418-N472 WeakPolarHBondContact CA-OD1 3.45Å; A418-N472 VanDerWaalsContact CB-OD1 3.3Å; A418-N472 WeakPolarHBondContact CB-OD1 3.34Å; T446-N472 WeakPolarHBondContact CG2-ND2 3.39Å; T446-N472 PolarHBondContact O-ND2 3.39Å; V449-N472 HydrophobicContact CG1-CB 4.45Å; E450-N472 PolarHBondContact OE1-N 2.77Å; E450-N472 PolarHBondContact OE1-ND2 3.34Å; N472-I475 PolarHBondContact O-N 3.28Å; N472-R476 WeakPolarHBondContact O-CG 3.32Å; N472-R476 PolarHBondContact O-N 2.8Å
473S95.3Very high93.8Very high47 Ų4753.3 Ų53.333%0.32926%0.262SS..Hα-helixtrans-66.4-38.1178.6-61.10000112.2N469 A470 C471 I475 R476 Q477N469-S473 VanDerWaalsContact O-CB 3.24Å; N469-S473 WeakPolarHBondContact O-CB 3.46Å; N469-S473 PolarHBondContact O-N 3.04Å; N469-S473 PolarHBondContact O-OG 2.86Å; A470-S473 PolarHBondContact O-N 3.43Å; C471-S473 VanDerWaalsContact C-N 3.27Å; C471-S473 PolarHBondContact O-N 3.16Å; S473-I475 VanDerWaalsContact C-N 3.33Å; S473-I475 PolarHBondContact O-N 2.99Å; S473-R476 PolarHBondContact O-N 2.78Å; S473-Q477 WeakPolarHBondContact O-CG 3.06Å; S473-Q477 PolarHBondContact O-N 2.88Å; S473-Q477 VanDerWaalsContact O-N 3.15Å
474V95.7Very high93.6Very high35 Ų3552.7 Ų52.721%0.21226%0.256CS..Hα-helixtrans-58.3-45.1172.8173.30000111F455 T457 A470 C471 R476 Q477F455-V474 HydrophobicContact CB-CG1 4.32Å; F455-V474 HydrophobicContact CD2-CG1 4.06Å; F455-V474 HydrophobicContact CG-CG1 4.35Å; T457-V474 HydrophobicContact CG2-CG2 4.01Å; A470-V474 WeakPolarHBondContact O-CG2 3.45Å; A470-V474 PolarHBondContact O-N 2.95Å; A470-V474 VanDerWaalsContact O-N 3.16Å; C471-V474 WeakPolarHBondContact O-CB 3.31Å; C471-V474 PolarHBondContact O-N 3.48Å; V474-R476 PolarHBondContact O-N 3.34Å; V474-Q477 WeakPolarHBondContact O-CB 3.37Å; V474-Q477 PolarHBondContact O-N 2.82Å
475I95.1Very high93.3Very high2 Ų247.1 Ų47.11%0.0123%0.232CC..Hα-helixtrans-64.4-42178.6-64.3177.4000111.5A414 T415 A418 L419 V449 F455 C471 N472 S473 Q477 L478 M479A414-I475 HydrophobicContact CB-CD1 4.19Å; T415-I475 HydrophobicContact CG2-CG2 4.06Å; A418-I475 HydrophobicContact CB-CB 4.05Å; A418-I475 HydrophobicContact CB-CD1 3.78Å; A418-I475 HydrophobicContact CB-CG1 4.49Å; A418-I475 HydrophobicContact CB-CG2 3.9Å; L419-I475 HydrophobicContact CD1-CG2 4.22Å; L419-I475 HydrophobicContact CD2-CG2 4.33Å; L419-I475 HydrophobicContact CG-CG2 3.99Å; V449-I475 HydrophobicContact CG1-CD1 3.68Å; F455-I475 HydrophobicContact CD2-CG1 4.29Å; F455-I475 HydrophobicContact CE2-CG1 3.94Å; C471-I475 PolarHBondContact O-N 3.21Å; C471-I475 VanDerWaalsContact O-N 3.17Å; N472-I475 PolarHBondContact O-N 3.28Å; S473-I475 VanDerWaalsContact C-N 3.33Å; S473-I475 PolarHBondContact O-N 2.99Å; I475-Q477 PolarHBondContact O-N 3.15Å; I475-L478 WeakPolarHBondContact O-CB 3.41Å; I475-L478 PolarHBondContact O-N 3.3Å; I475-M479 PolarHBondContact O-N 2.87Å
476R92.9Very high92.8Very high97 Ų9746.7 Ų46.737%0.36623%0.226SC..Hα-helixtrans-62.6-23.1176.9-68.6175.7-164.9128.1-1.9113.1L419 N472 S473 V474 L478L419-R476 HydrophobicContact CD2-CG 4.1Å; N472-R476 WeakPolarHBondContact O-CG 3.32Å; N472-R476 PolarHBondContact O-N 2.8Å; S473-R476 PolarHBondContact O-N 2.78Å; V474-R476 PolarHBondContact O-N 3.34Å; R476-L478 VanDerWaalsContact C-N 3.35Å
477Q92.6Very high92.4Very high137 Ų13743.5 Ų43.564%0.6421%0.21SC*.Hα-helixtrans-75-23.5173.2-68.6173.31.400113S473 V474 I475 A501S473-Q477 WeakPolarHBondContact O-CG 3.06Å; S473-Q477 PolarHBondContact O-N 2.88Å; S473-Q477 VanDerWaalsContact O-N 3.15Å; V474-Q477 WeakPolarHBondContact O-CB 3.37Å; V474-Q477 PolarHBondContact O-N 2.82Å; I475-Q477 PolarHBondContact O-N 3.15Å; Q477-A501 WeakPolarHBondContact O-CB 3.22Å
478L90.9Very high91.2Very high65 Ų6542.5 Ų42.534%0.3421%0.208SC..Hα-helixtrans-81.9-36.7-179.6-60.1175.4000112.2F455 I475 R476 A501F455-L478 HydrophobicContact CD2-CD1 4.42Å; F455-L478 HydrophobicContact CE1-CD1 4.03Å; F455-L478 HydrophobicContact CE2-CD1 3.6Å; F455-L478 HydrophobicContact CZ-CD1 3.37Å; I475-L478 WeakPolarHBondContact O-CB 3.41Å; I475-L478 PolarHBondContact O-N 3.3Å; R476-L478 VanDerWaalsContact C-N 3.35Å; L478-A501 PolarHBondContact O-N 3.44Å
479M90.3Very high89.5Confident24 Ų2447.2 Ų47.212%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-131.1124.6-176.4-64.5-65.4-73.300110.2L419 I475 C498 S499 P500 K511 F513L419-M479 HydrophobicContact CD1-CB 3.6Å; L419-M479 HydrophobicContact CD1-CG 4.04Å; L419-M479 HydrophobicContact CD2-CB 4.49Å; I475-M479 PolarHBondContact O-N 2.87Å; M479-C498 HydrophobicContact CB-CB 4.19Å; M479-C498 HydrophobicContact CE-CB 3.67Å; M479-S499 CarbonylContact C-O 3.57Å; M479-S499 WeakPolarHBondContact CA-O 3.5Å; M479-P500 HydrophobicContact SD-CB 4.36Å; M479-K511 HydrophobicContact CE-CB 4.19Å; M479-K511 HydrophobicContact CE-CG 4.29Å; M479-F513 HydrophobicContact CE-CE2 4.07Å; M479-F513 HydrophobicContact CE-CZ 4.22Å; M479-F513 HydrophobicContact CG-CE2 4.45Å
480K91.8Very high88.1Confident111 Ų11150.7 Ų50.748%0.48324%0.244SC..EExtended strand (participates in β ladder)trans-82118.6173.6-179.5-179.6171.6-1260109.5E482 C498 S499K480-E482 WeakPolarHBondContact CD-OE1 3.22Å; K480-E482 IonicContact NZ-OE1 2.63Å; K480-E482 PolarHBondContact NZ-OE1 3.28Å; K480-E482 IonicContact NZ-OE2 3.37Å; K480-E482 PolarHBondContact NZ-OE2 3.18Å; K480-E482 PolarHBondContact O-N 3.23Å; K480-C498 CarbonylContact O-C 3.53Å; K480-C498 VanDerWaalsContact O-CA 3.23Å; K480-C498 WeakPolarHBondContact O-CA 3.45Å; K480-S499 PolarHBondContact N-O 3.34Å; K480-S499 PolarHBondContact O-N 3.48Å
481K93.7Very high87.4Confident87 Ų8750.5 Ų50.538%0.37824%0.24SC..EExtended strand (participates in β ladder)trans-68.3115168.6-173.316779.2173.40108.8N421 D422 V496N421-K481 PolarHBondContact O-NZ 3.27Å; D422-K481 IonicContact OD1-NZ 2.62Å; D422-K481 PolarHBondContact OD1-NZ 3.37Å; K481-V496 HydrophobicContact CD-CB 4.23Å; K481-V496 HydrophobicContact CD-CG1 3.85Å; K481-V496 HydrophobicContact CG-CB 4.34Å; K481-V496 HydrophobicContact CG-CG1 4.46Å
482E92.3Very high86.7Confident52 Ų5255.9 Ų55.924%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-87.1-47.1179-67.9-65.416500111.3K480 Y497 S499 R573K480-E482 WeakPolarHBondContact CD-OE1 3.22Å; K480-E482 IonicContact NZ-OE1 2.63Å; K480-E482 PolarHBondContact NZ-OE1 3.28Å; K480-E482 IonicContact NZ-OE2 3.37Å; K480-E482 PolarHBondContact NZ-OE2 3.18Å; K480-E482 PolarHBondContact O-N 3.23Å; E482-Y497 HydrophobicContact CB-CD1 4.22Å; E482-Y497 HydrophobicContact CG-CD1 4.29Å; E482-Y497 PolarHBondContact N-O 3.37Å; E482-S499 PolarHBondContact OE1-OG 3.39Å; E482-R573 IonicContact OE2-NH1 2.97Å; E482-R573 PolarHBondContact OE2-NH1 3.16Å
483F89.5Confident86.4Confident23 Ų2355.9 Ų55.910%0.10126%0.263CS..EExtended strand (participates in β ladder)trans-160.5162.8176.454.7-92.9000110.7L485 Y497 R573 M576 L578F483-L485 HydrophobicContact CD2-CD2 4.09Å; F483-L485 HydrophobicContact CE2-CD2 4.01Å; F483-Y497 AromaticContact CE1-CD1 3.91Å; F483-Y497 HydrophobicContact CE1-CD1 3.91Å; F483-Y497 HydrophobicContact CE1-CD2 4.29Å; F483-Y497 AromaticContact CE1-CG 3.71Å; F483-Y497 HydrophobicContact CE1-CG 3.71Å; F483-Y497 VanDerWaalsContact CE2-CB 3.4Å; F483-Y497 HydrophobicContact CE2-CD2 4.24Å; F483-Y497 HydrophobicContact CE2-CG 4.02Å; F483-Y497 HydrophobicContact CZ-CD1 4.07Å; F483-Y497 AromaticContact CZ-CD2 3.61Å; F483-Y497 HydrophobicContact CZ-CD2 3.61Å; F483-Y497 HydrophobicContact CZ-CE2 4.4Å; F483-Y497 AromaticContact CZ-CG 3.4Å; F483-Y497 HydrophobicContact CZ-CG 3.4Å; F483-Y497 PolarHBondContact O-N 2.72Å; F483-R573 HydrophobicContact CE1-CG 4.05Å; F483-M576 HydrophobicContact CE2-CE 3.67Å; F483-M576 HydrophobicContact CE2-SD 4.19Å; F483-M576 HydrophobicContact CZ-CE 3.87Å; F483-M576 HydrophobicContact CZ-SD 3.74Å; F483-L578 HydrophobicContact CB-CD1 4.33Å; F483-L578 HydrophobicContact CD1-CD1 4.08Å; F483-L578 HydrophobicContact CD2-CD1 4.08Å; F483-L578 HydrophobicContact CD2-CD2 3.68Å; F483-L578 HydrophobicContact CE1-CD1 4.42Å; F483-L578 HydrophobicContact CE2-CD1 4.41Å; F483-L578 HydrophobicContact CE2-CD2 3.45Å; F483-L578 VanDerWaalsContact CE2-CD2 3.45Å; F483-L578 HydrophobicContact CG-CD1 3.91Å; F483-L578 HydrophobicContact CG-CD2 4.34Å; F483-L578 HydrophobicContact CZ-CD2 3.95Å
484T90.3Very high86.3Confident42 Ų4253.9 Ų53.926%0.25825%0.249SC..EExtended strand (participates in β ladder)trans-111.4131.4177.3-56.80000108.8E486 M494 S495 V496T484-E486 PolarHBondContact O-N 2.94Å; T484-M494 HydrophobicContact CG2-CE 4.47Å; T484-M494 HydrophobicContact CG2-CG 4.26Å; T484-S495 CarbonylContact C-O 3.59Å; T484-V496 HydrophobicContact CG2-CG1 3.89Å
485L88.3Confident86.4Confident1 Ų152.2 Ų52.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-85.597.9159.6-54.7-170.3000106.6F483 R491 S495 M512 M576 L578 F584 Y587 E588F483-L485 HydrophobicContact CD2-CD2 4.09Å; F483-L485 HydrophobicContact CE2-CD2 4.01Å; L485-R491 PolarHBondContact O-NH2 3.49Å; L485-S495 WeakPolarHBondContact CB-OG 3.37Å; L485-S495 WeakPolarHBondContact CD1-OG 3.39Å; L485-S495 PolarHBondContact N-O 3.11Å; L485-S495 PolarHBondContact O-N 3.1Å; L485-S495 VanDerWaalsContact O-N 3.09Å; L485-M512 HydrophobicContact CD1-CE 3.54Å; L485-M512 HydrophobicContact CG-CE 4.35Å; L485-M576 HydrophobicContact CD1-CE 4.06Å; L485-M576 HydrophobicContact CD2-CE 4.28Å; L485-L578 HydrophobicContact CD2-CD2 3.94Å; L485-F584 HydrophobicContact CB-CB 4.42Å; L485-F584 HydrophobicContact CB-CD2 3.91Å; L485-F584 HydrophobicContact CB-CE2 4.28Å; L485-F584 HydrophobicContact CB-CG 4.04Å; L485-F584 HydrophobicContact CD1-CB 4.16Å; L485-F584 HydrophobicContact CD1-CD1 4.21Å; L485-F584 HydrophobicContact CD1-CG 4.17Å; L485-F584 HydrophobicContact CD2-CD1 3.84Å; L485-F584 HydrophobicContact CD2-CE1 3.77Å; L485-F584 HydrophobicContact CD2-CE2 4.45Å; L485-F584 HydrophobicContact CD2-CG 4.23Å; L485-F584 HydrophobicContact CD2-CZ 4.08Å; L485-F584 HydrophobicContact CG-CD1 4.41Å; L485-F584 HydrophobicContact CG-CG 4.38Å; L485-Y587 HydrophobicContact CD1-CD2 3.91Å; L485-Y587 HydrophobicContact CD1-CG 4.39Å; L485-E588 HydrophobicContact CD1-CG 4.46Å
486E82.3Confident86.5Confident54 Ų5452.1 Ų52.125%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-57.5154.2-173.268.9-171.6106.900112T171 T172 T484 S488 R491 F584T171-E486 WeakPolarHBondContact CB-OE1 3.46Å; T171-E486 WeakPolarHBondContact CB-OE2 3.38Å; T171-E486 HydrophobicContact CG2-CG 3.93Å; T171-E486 WeakPolarHBondContact CG2-OE1 3.3Å; T171-E486 PolarHBondContact OG1-OE1 3.03Å; T172-E486 PolarHBondContact OG1-OE2 3.29Å; T484-E486 PolarHBondContact O-N 2.94Å; E486-S488 PolarHBondContact O-N 3.3Å; E486-R491 PolarHBondContact O-NH1 2.91Å; E486-R491 PolarHBondContact O-NH2 3.34Å; E486-F584 HydrophobicContact CG-CE2 4.24Å
487F84.1Confident86.6Confident55 Ų5547.8 Ų47.824%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-59.1129.8178.7179.2-83.9000111.6T172 I188 R489 K492 S493 M494T172-F487 WeakPolarHBondContact CG2-O 3.48Å; I188-F487 HydrophobicContact CD1-CD1 3.38Å; I188-F487 HydrophobicContact CD1-CE1 3.39Å; F487-R489 HydrophobicContact CE1-CG 4.21Å; F487-K492 HydrophobicContact CE2-CB 4.4Å; F487-K492 HydrophobicContact CZ-CB 4.3Å; F487-S493 WeakPolarHBondContact CA-O 3.29Å; F487-M494 HydrophobicContact CB-CB 4.2Å
488S69.9Low86.8Confident8 Ų841.2 Ų41.26%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-127.8152.3170.477.70000110E486 D490 R491 K492E486-S488 PolarHBondContact O-N 3.3Å; S488-D490 WeakPolarHBondContact CB-OD1 3.45Å; S488-D490 PolarHBondContact OG-OD1 3.41Å; S488-R491 WeakPolarHBondContact OG-CG 3.45Å; S488-R491 PolarHBondContact OG-NH1 2.98Å; S488-K492 WeakPolarHBondContact O-CA 3.3Å; S488-K492 PolarHBondContact O-N 3.29Å
489R57.5Low86.8Confident99 Ų9939 Ų3937%0.37418%0.181SC..THydrogen-bonded Turntrans-79.3-30.5-169-75.2178.670-138.1-5.3114.4I188 H190 F487 R491 K492I188-R489 HydrophobicContact CD1-CG 4.27Å; I188-R489 HydrophobicContact CG2-CG 4.26Å; H190-R489 PolarHBondContact CD2-NH1 3.48Å; H190-R489 WeakPolarHBondContact CE1-CD 3.32Å; H190-R489 PolarHBondContact CE1-NH1 3.48Å; H190-R489 PolarHBondContact ND1-NH1 2.8Å; H190-R489 VanDerWaalsContact ND1-NH1 3.16Å; H190-R489 WeakPolarHBondContact NE2-CD 3.28Å; H190-R489 PolarHBondContact NE2-NH1 2.79Å; F487-R489 HydrophobicContact CE1-CG 4.21Å; R489-R491 PolarHBondContact O-N 2.8Å; R489-K492 WeakPolarHBondContact O-CG 3.26Å
490D67.1Low86.8Confident108 Ų10839.7 Ų39.758%0.57819%0.187SC*.THydrogen-bonded Turntrans-55.5-42.3175.454.5-59.2000110.6S488S488-D490 WeakPolarHBondContact CB-OD1 3.45Å; S488-D490 PolarHBondContact OG-OD1 3.41Å
491R81.6Confident86.4Confident8 Ų835.4 Ų35.43%0.0317%0.173CC..THydrogen-bonded Turntrans-100.4-16179.671.5-169.8-148.3-772.7115.4L485 E486 S488 R489 S493 R524 L585 E588L485-R491 PolarHBondContact O-NH2 3.49Å; E486-R491 PolarHBondContact O-NH1 2.91Å; E486-R491 PolarHBondContact O-NH2 3.34Å; S488-R491 WeakPolarHBondContact OG-CG 3.45Å; S488-R491 PolarHBondContact OG-NH1 2.98Å; R489-R491 PolarHBondContact O-N 2.8Å; R491-S493 WeakPolarHBondContact CG-OG 3.36Å; R491-S493 PolarHBondContact NE-O 2.83Å; R491-S493 PolarHBondContact NH1-O 3.28Å; R491-S493 PolarHBondContact NH2-O 3.02Å; R491-S493 PolarHBondContact O-N 2.83Å; R491-S493 PolarHBondContact O-OG 2.86Å; R491-R524 PolarHBondContact O-NH2 3.48Å; R491-L585 HydrophobicContact CB-CB 4.48Å; R491-L585 HydrophobicContact CB-CD1 3.54Å; R491-E588 WeakPolarHBondContact CD-OE2 3.38Å; R491-E588 IonicContact CZ-OE1 2.92Å; R491-E588 IonicContact CZ-OE2 2.65Å; R491-E588 IonicContact NE-OE1 3.95Å; R491-E588 PolarHBondContact NE-OE1 3.46Å; R491-E588 VanDerWaalsContact NE-OE1 3.11Å; R491-E588 IonicContact NE-OE2 3.82Å; R491-E588 PolarHBondContact NE-OE2 3.21Å; R491-E588 IonicContact NH2-OE1 3.98Å; R491-E588 PolarHBondContact NH2-OE1 2.93Å; R491-E588 IonicContact NH2-OE2 3.78Å
492K83.8Confident85.2Confident119 Ų11941.9 Ų41.952%0.51720%0.201SC..THydrogen-bonded Turntrans48.639.2-177.3-56-176.7-177.2167.80113.6F487 S488 R489 G516 A517F487-K492 HydrophobicContact CE2-CB 4.4Å; F487-K492 HydrophobicContact CZ-CB 4.3Å; S488-K492 WeakPolarHBondContact O-CA 3.3Å; S488-K492 PolarHBondContact O-N 3.29Å; R489-K492 WeakPolarHBondContact O-CG 3.26Å; K492-G516 CarbonylContact O-C 3.11Å; K492-G516 VanDerWaalsContact O-CA 3.26Å; K492-G516 WeakPolarHBondContact O-CA 3.21Å; K492-A517 HydrophobicContact CB-CB 3.72Å; K492-A517 HydrophobicContact CD-CB 4.13Å; K492-A517 PolarHBondContact O-N 3.47Å
493S90.3Very high83.6Confident0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-143.4161.8177.951.70000110.7F487 R491 K515 R524 E588F487-S493 WeakPolarHBondContact CA-O 3.29Å; R491-S493 WeakPolarHBondContact CG-OG 3.36Å; R491-S493 PolarHBondContact NE-O 2.83Å; R491-S493 PolarHBondContact NH1-O 3.28Å; R491-S493 PolarHBondContact NH2-O 3.02Å; R491-S493 PolarHBondContact O-N 2.83Å; R491-S493 PolarHBondContact O-OG 2.86Å; S493-K515 CarbonylContact C-O 3.52Å; S493-K515 WeakPolarHBondContact CA-O 3.4Å; S493-K515 VanDerWaalsContact CB-O 3.31Å; S493-K515 WeakPolarHBondContact CB-O 3.29Å; S493-R524 PolarHBondContact OG-NH1 2.81Å; S493-R524 VanDerWaalsContact OG-NH1 3.15Å; S493-R524 PolarHBondContact OG-NH2 3.44Å; S493-E588 PolarHBondContact OG-OE2 2.83Å
494M92.9Very high82Confident4 Ų445.4 Ų45.42%0.0223%0.234CC..EExtended strand (participates in β ladder)trans-123.4148.6170.9164.5-171.2-84.600107C420 D422 E442 T484 F487 V514 K515C420-M494 PolarHBondContact SG-O 3.39Å; D422-M494 WeakPolarHBondContact OD2-CE 3.24Å; E442-M494 WeakPolarHBondContact OE1-CE 3.36Å; T484-M494 HydrophobicContact CG2-CE 4.47Å; T484-M494 HydrophobicContact CG2-CG 4.26Å; F487-M494 HydrophobicContact CB-CB 4.2Å; M494-V514 WeakPolarHBondContact O-CA 3.31Å; M494-K515 HydrophobicContact CB-CG 4.3Å; M494-K515 PolarHBondContact N-O 2.85Å; M494-K515 PolarHBondContact O-N 2.86Å; M494-K515 WeakPolarHBondContact SD-CE 3.22Å
495S97Very high80.1Confident0 Ų055.7 Ų55.70%027%0.268CS..EExtended strand (participates in β ladder)trans-141.2160.8167.264.80000113.1T484 L485 M512 F513 E588T484-S495 CarbonylContact C-O 3.59Å; L485-S495 WeakPolarHBondContact CB-OG 3.37Å; L485-S495 WeakPolarHBondContact CD1-OG 3.39Å; L485-S495 PolarHBondContact N-O 3.11Å; L485-S495 PolarHBondContact O-N 3.1Å; L485-S495 VanDerWaalsContact O-N 3.09Å; S495-M512 WeakPolarHBondContact OG-CE 3.43Å; S495-F513 CarbonylContact C-O 3.54Å; S495-F513 WeakPolarHBondContact CA-O 3.48Å; S495-F513 VanDerWaalsContact CB-O 3.27Å; S495-F513 WeakPolarHBondContact CB-O 2.95Å; S495-E588 WeakPolarHBondContact CB-OE1 3.27Å; S495-E588 PolarHBondContact N-OE1 3.12Å; S495-E588 WeakPolarHBondContact OG-CG 3.45Å; S495-E588 PolarHBondContact OG-OE1 3.44Å
496V97Very high78.4Confident0 Ų058.2 Ų58.20%029%0.289CS..EExtended strand (participates in β ladder)trans-128.3137.3175.1-66.10000109.7L419 C420 K481 T484 M512 F513L419-V496 HydrophobicContact CB-CG2 4.17Å; C420-V496 HydrophobicContact CB-CG2 3.88Å; K481-V496 HydrophobicContact CD-CB 4.23Å; K481-V496 HydrophobicContact CD-CG1 3.85Å; K481-V496 HydrophobicContact CG-CB 4.34Å; K481-V496 HydrophobicContact CG-CG1 4.46Å; T484-V496 HydrophobicContact CG2-CG1 3.89Å; V496-M512 CarbonylContact O-C 3.56Å; V496-M512 WeakPolarHBondContact O-CA 3.44Å; V496-F513 HydrophobicContact CG2-CB 3.91Å; V496-F513 HydrophobicContact CG2-CD2 4.27Å; V496-F513 PolarHBondContact N-O 2.86Å; V496-F513 PolarHBondContact O-N 2.79Å
497Y96.6Very high76.8Confident6 Ų661 Ų612%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-91.9124.9173-165.5-79.1000109.1E482 F483 N510 M512 P570 P571 M576E482-Y497 HydrophobicContact CB-CD1 4.22Å; E482-Y497 HydrophobicContact CG-CD1 4.29Å; E482-Y497 PolarHBondContact N-O 3.37Å; F483-Y497 AromaticContact CE1-CD1 3.91Å; F483-Y497 HydrophobicContact CE1-CD1 3.91Å; F483-Y497 HydrophobicContact CE1-CD2 4.29Å; F483-Y497 AromaticContact CE1-CG 3.71Å; F483-Y497 HydrophobicContact CE1-CG 3.71Å; F483-Y497 VanDerWaalsContact CE2-CB 3.4Å; F483-Y497 HydrophobicContact CE2-CD2 4.24Å; F483-Y497 HydrophobicContact CE2-CG 4.02Å; F483-Y497 HydrophobicContact CZ-CD1 4.07Å; F483-Y497 AromaticContact CZ-CD2 3.61Å; F483-Y497 HydrophobicContact CZ-CD2 3.61Å; F483-Y497 HydrophobicContact CZ-CE2 4.4Å; F483-Y497 AromaticContact CZ-CG 3.4Å; F483-Y497 HydrophobicContact CZ-CG 3.4Å; F483-Y497 PolarHBondContact O-N 2.72Å; Y497-N510 HydrophobicContact CE1-CB 3.58Å; Y497-N510 WeakPolarHBondContact CE1-ND2 3.44Å; Y497-N510 VanDerWaalsContact OH-CB 3.32Å; Y497-N510 WeakPolarHBondContact OH-CB 3.37Å; Y497-N510 PolarHBondContact OH-ND2 2.96Å; Y497-M512 HydrophobicContact CD2-CG 3.56Å; Y497-M512 HydrophobicContact CD2-SD 4Å; Y497-M512 HydrophobicContact CE2-CG 4.3Å; Y497-M512 HydrophobicContact CG-CG 4.25Å; Y497-P570 HydrophobicContact CD2-CB 4.27Å; Y497-P570 HydrophobicContact CD2-CG 4.44Å; Y497-P570 HydrophobicContact CE2-CB 3.74Å; Y497-P570 HydrophobicContact CE2-CG 3.72Å; Y497-P571 WeakPolarHBondContact CE2-O 3.17Å; Y497-P571 PolarHBondContact OH-O 2.99Å; Y497-M576 HydrophobicContact CD2-CE 4.46Å; Y497-M576 HydrophobicContact CD2-SD 3.9Å; Y497-M576 HydrophobicContact CE2-SD 3.95Å
498C95Very high75.8Confident0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-127.2136.9-175.3-62.30000111.5M479 K480 N510 K511 F513M479-C498 HydrophobicContact CB-CB 4.19Å; M479-C498 HydrophobicContact CE-CB 3.67Å; K480-C498 CarbonylContact O-C 3.53Å; K480-C498 VanDerWaalsContact O-CA 3.23Å; K480-C498 WeakPolarHBondContact O-CA 3.45Å; C498-N510 WeakPolarHBondContact O-CA 3.14Å; C498-K511 PolarHBondContact N-O 3.17Å; C498-K511 PolarHBondContact O-N 3.22Å; C498-F513 HydrophobicContact CB-CD2 4.22Å; C498-F513 HydrophobicContact CB-CE2 3.94Å
499S92.3Very high76.2Confident18 Ų1863.7 Ų63.713%0.12635%0.352CS..EExtended strand (participates in β ladder)trans-105.2145.3170.662.10000109.7M479 K480 E482 N510M479-S499 CarbonylContact C-O 3.57Å; M479-S499 WeakPolarHBondContact CA-O 3.5Å; K480-S499 PolarHBondContact N-O 3.34Å; K480-S499 PolarHBondContact O-N 3.48Å; E482-S499 PolarHBondContact OE1-OG 3.39Å; S499-N510 WeakPolarHBondContact CB-OD1 3.38Å
500P89.9Confident77.9Confident38 Ų3861.9 Ų61.925%0.24735%0.35CS..EExtended strand (participates in β ladder)trans-61.5140.9173.8-13.823.1000111.3M479 V508M479-P500 HydrophobicContact SD-CB 4.36Å; P500-V508 WeakPolarHBondContact CG-O 3.4Å
501A83.6Confident79.2Confident21 Ų2158.3 Ų58.317%0.17433%0.329CS..  trans-66.1147.3173.100000111.4Q477 L478 S503 S504Q477-A501 WeakPolarHBondContact O-CB 3.22Å; L478-A501 PolarHBondContact O-N 3.44Å; A501-S503 PolarHBondContact O-N 2.88Å; A501-S504 VanDerWaalsContact O-CB 3.27Å; A501-S504 WeakPolarHBondContact O-CB 3.45Å; A501-S504 PolarHBondContact O-N 2.81Å
502K68.8Low80Confident224 Ų22457.9 Ų57.997%0.97433%0.328SS*.THydrogen-bonded Turntrans-57-22.3-176.7-69.8-176.2178.8179.50114.6
503S58.2Low80.7Confident105 Ų10552.7 Ų52.773%0.73431%0.305SS*.THydrogen-bonded Turntrans-88.3-7.6178.149.20000113.9A501 R505A501-S503 PolarHBondContact O-N 2.88Å; S503-R505 PolarHBondContact O-N 3.03Å
504S55.8Low81.1Confident44 Ų4452.7 Ų52.731%0.30831%0.305SS..  trans-76.8122.9-178.5-174.20000110.9A501 A506A501-S504 VanDerWaalsContact O-CB 3.27Å; A501-S504 WeakPolarHBondContact O-CB 3.45Å; A501-S504 PolarHBondContact O-N 2.81Å; S504-A506 PolarHBondContact O-N 3.39Å; S504-A506 PolarHBondContact OG-N 3.22Å
505R49.8Very low81.3Confident257 Ų25753.1 Ų53.197%0.9731%0.307SS*.  trans-78.23.6174.2-71.9-167.8177.7-174.30.6113.4S503S503-R505 PolarHBondContact O-N 3.03Å
506A53.9Low81.1Confident54 Ų5453.3 Ų53.345%0.44631%0.308SS..  trans-81.5123.8-178.900000110.8S504 V508S504-A506 PolarHBondContact O-N 3.39Å; S504-A506 PolarHBondContact OG-N 3.22Å; A506-V508 HydrophobicContact CB-CG2 4.06Å; A506-V508 PolarHBondContact O-N 3.47Å
507A48.1Very low80.6Confident114 Ų11454.8 Ų54.894%0.94232%0.321SS*.  trans-7445177.900000112.8
508V62Low80.3Confident67 Ų6755.3 Ų55.341%0.40633%0.325SS..  trans-109.3128-172.3-175.10000108.3P500 A506 K511P500-V508 WeakPolarHBondContact CG-O 3.4Å; A506-V508 HydrophobicContact CB-CG2 4.06Å; A506-V508 PolarHBondContact O-N 3.47Å; V508-K511 HydrophobicContact CG1-CD 4.37Å; V508-K511 HydrophobicContact CG1-CG 4.26Å
509G80.2Confident79.9Confident51 Ų5161.6 Ų61.653%0.52635%0.354SS..  trans-68.7-173.9173.600000112.4
510N91.8Very high79.7Confident62 Ų6262 Ų6233%0.33236%0.361SS..  trans-58151.2174.6-60.8-20.9000111.3Y497 C498 S499 P570Y497-N510 HydrophobicContact CE1-CB 3.58Å; Y497-N510 WeakPolarHBondContact CE1-ND2 3.44Å; Y497-N510 VanDerWaalsContact OH-CB 3.32Å; Y497-N510 WeakPolarHBondContact OH-CB 3.37Å; Y497-N510 PolarHBondContact OH-ND2 2.96Å; C498-N510 WeakPolarHBondContact O-CA 3.14Å; S499-N510 WeakPolarHBondContact CB-OD1 3.38Å; N510-P570 HydrophobicContact CB-CG 4.21Å; N510-P570 WeakPolarHBondContact O-CD 3.44Å; N510-P570 WeakPolarHBondContact O-CG 3.4Å
511K95.3Very high80Confident32 Ų3260.2 Ų60.214%0.13935%0.349CS..EExtended strand (participates in β ladder)trans-131153.2179.6-66-66.7-177.21800110.5M479 C498 V508 F513 D568M479-K511 HydrophobicContact CE-CB 4.19Å; M479-K511 HydrophobicContact CE-CG 4.29Å; C498-K511 PolarHBondContact N-O 3.17Å; C498-K511 PolarHBondContact O-N 3.22Å; V508-K511 HydrophobicContact CG1-CD 4.37Å; V508-K511 HydrophobicContact CG1-CG 4.26Å; K511-F513 HydrophobicContact CB-CE1 4.32Å; K511-F513 HydrophobicContact CB-CE2 4.32Å; K511-F513 HydrophobicContact CB-CZ 4.01Å; K511-D568 WeakPolarHBondContact CD-O 3.49Å; K511-D568 VanDerWaalsContact NZ-CA 3.31Å; K511-D568 PolarHBondContact NZ-O 3.39Å; K511-D568 IonicContact NZ-OD1 3.84Å; K511-D568 PolarHBondContact NZ-OD1 2.99Å
512M97.5Very high80.6Confident0 Ų059.2 Ų59.20%034%0.341CS..EExtended strand (participates in β ladder)trans-111.6129.6160.7-68.9171.563.900110L485 S495 V496 Y497 T566 R567 P570 M576 Y587 E588L485-M512 HydrophobicContact CD1-CE 3.54Å; L485-M512 HydrophobicContact CG-CE 4.35Å; S495-M512 WeakPolarHBondContact OG-CE 3.43Å; V496-M512 CarbonylContact O-C 3.56Å; V496-M512 WeakPolarHBondContact O-CA 3.44Å; Y497-M512 HydrophobicContact CD2-CG 3.56Å; Y497-M512 HydrophobicContact CD2-SD 4Å; Y497-M512 HydrophobicContact CE2-CG 4.3Å; Y497-M512 HydrophobicContact CG-CG 4.25Å; M512-T566 CarbonylContact O-C 3.54Å; M512-T566 WeakPolarHBondContact O-CA 3.46Å; M512-T566 WeakPolarHBondContact O-CB 3.49Å; M512-T566 PolarHBondContact O-OG1 3.3Å; M512-R567 HydrophobicContact CB-CB 3.93Å; M512-R567 PolarHBondContact N-O 3.45Å; M512-R567 PolarHBondContact O-N 3.3Å; M512-P570 HydrophobicContact CB-CB 4.41Å; M512-P570 HydrophobicContact CG-CB 3.64Å; M512-P570 HydrophobicContact CG-CG 4.33Å; M512-P570 HydrophobicContact SD-CB 3.65Å; M512-M576 HydrophobicContact CE-CE 4.31Å; M512-M576 HydrophobicContact SD-CE 4.16Å; M512-Y587 WeakPolarHBondContact CE-O 3.41Å; M512-E588 HydrophobicContact CE-CG 4.21Å
513F98.4Very high81.8Confident9 Ų953.2 Ų53.24%0.03932%0.32CS..EExtended strand (participates in β ladder)trans-103130.2174-60.7-61.7000108.9T415 I416 L419 C420 M479 S495 V496 C498 K511T415-F513 HydrophobicContact CG2-CE1 4.18Å; T415-F513 HydrophobicContact CG2-CE2 4.06Å; T415-F513 HydrophobicContact CG2-CZ 3.74Å; I416-F513 HydrophobicContact CB-CB 4.44Å; I416-F513 HydrophobicContact CG1-CB 4.06Å; I416-F513 HydrophobicContact CG1-CD1 3.6Å; I416-F513 HydrophobicContact CG1-CE1 4.41Å; I416-F513 HydrophobicContact CG1-CG 4.12Å; I416-F513 HydrophobicContact CG2-CB 4.26Å; L419-F513 HydrophobicContact CB-CD2 4.2Å; L419-F513 HydrophobicContact CD1-CD2 3.73Å; L419-F513 HydrophobicContact CD1-CE2 3.44Å; L419-F513 VanDerWaalsContact CD1-CE2 3.44Å; L419-F513 HydrophobicContact CD1-CZ 4.36Å; C420-F513 HydrophobicContact CB-CB 4.24Å; C420-F513 PolarHBondContact SG-O 2.87Å; C420-F513 VanDerWaalsContact SG-O 3.4Å; M479-F513 HydrophobicContact CE-CE2 4.07Å; M479-F513 HydrophobicContact CE-CZ 4.22Å; M479-F513 HydrophobicContact CG-CE2 4.45Å; S495-F513 CarbonylContact C-O 3.54Å; S495-F513 WeakPolarHBondContact CA-O 3.48Å; S495-F513 VanDerWaalsContact CB-O 3.27Å; S495-F513 WeakPolarHBondContact CB-O 2.95Å; V496-F513 HydrophobicContact CG2-CB 3.91Å; V496-F513 HydrophobicContact CG2-CD2 4.27Å; V496-F513 PolarHBondContact N-O 2.86Å; V496-F513 PolarHBondContact O-N 2.79Å; C498-F513 HydrophobicContact CB-CD2 4.22Å; C498-F513 HydrophobicContact CB-CE2 3.94Å; K511-F513 HydrophobicContact CB-CE1 4.32Å; K511-F513 HydrophobicContact CB-CE2 4.32Å; K511-F513 HydrophobicContact CB-CZ 4.01Å
514V98.3Very high83.7Confident0 Ų049.5 Ų49.50%029%0.29CS..EExtended strand (participates in β ladder)trans-123.9135.3-170.7-1700000109.5M494 L564 A565 L591M494-V514 WeakPolarHBondContact O-CA 3.31Å; V514-L564 WeakPolarHBondContact O-CA 3.22Å; V514-A565 HydrophobicContact CB-CB 4.47Å; V514-A565 PolarHBondContact N-O 3Å; V514-A565 PolarHBondContact O-N 3.46Å; V514-A565 VanDerWaalsContact O-O 3.13Å; V514-L591 HydrophobicContact CB-CD1 4.37Å; V514-L591 HydrophobicContact CG1-CD1 4.22Å; V514-L591 HydrophobicContact CG2-CD1 4.15Å; V514-L591 HydrophobicContact CG2-CD2 3.83Å
515K97.8Very high85.7Confident14 Ų1447.7 Ų47.76%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-129.8148166.874.6-177.5178.4-1660110.4C420 E442 L445 S493 M494 A563 L564C420-K515 VanDerWaalsContact O-CD 3.24Å; C420-K515 WeakPolarHBondContact O-CD 3Å; C420-K515 WeakPolarHBondContact O-CE 3.43Å; C420-K515 PolarHBondContact O-NZ 2.65Å; E442-K515 WeakPolarHBondContact OE1-CE 3.33Å; E442-K515 IonicContact OE1-NZ 3.63Å; E442-K515 PolarHBondContact OE1-NZ 2.92Å; L445-K515 HydrophobicContact CD1-CD 3.91Å; S493-K515 CarbonylContact C-O 3.52Å; S493-K515 WeakPolarHBondContact CA-O 3.4Å; S493-K515 VanDerWaalsContact CB-O 3.31Å; S493-K515 WeakPolarHBondContact CB-O 3.29Å; M494-K515 HydrophobicContact CB-CG 4.3Å; M494-K515 PolarHBondContact N-O 2.85Å; M494-K515 PolarHBondContact O-N 2.86Å; M494-K515 WeakPolarHBondContact SD-CE 3.22Å; K515-A563 WeakPolarHBondContact CA-O 3.42Å; K515-L564 HydrophobicContact CB-CD2 3.53Å
516G92.8Very high88Confident3 Ų339.6 Ų39.63%0.03125%0.253CS..EExtended strand (participates in β ladder)trans175.7-169.1176.600000115.1K492 A563K492-G516 CarbonylContact O-C 3.11Å; K492-G516 VanDerWaalsContact O-CA 3.26Å; K492-G516 WeakPolarHBondContact O-CA 3.21Å; G516-A563 PolarHBondContact N-O 3.3Å; G516-A563 VanDerWaalsContact N-O 3.1Å; G516-A563 PolarHBondContact O-N 3.03Å
517A87Confident90.1Very high31 Ų3139.7 Ų39.726%0.25624%0.242SC..  trans-58.5130.4175.300000110.1K492 E519 G520 V521K492-A517 HydrophobicContact CB-CB 3.72Å; K492-A517 HydrophobicContact CD-CB 4.13Å; K492-A517 PolarHBondContact O-N 3.47Å; A517-E519 PolarHBondContact O-N 3.35Å; A517-G520 PolarHBondContact O-N 3.37Å; A517-V521 WeakPolarHBondContact O-CG2 3.44Å; A517-V521 PolarHBondContact O-N 3.25Å; A517-V521 VanDerWaalsContact O-N 3.09Å
518P90.7Very high92.5Very high18 Ų1834.2 Ų34.212%0.11720%0.197CC..Hα-helixtrans-57.7-47.1-170.4-25.632.3000114.7G520 V521 I522 I549 C561 A563P518-G520 PolarHBondContact O-N 3.07Å; P518-V521 PolarHBondContact O-N 2.95Å; P518-I522 HydrophobicContact CB-CD1 4.11Å; P518-I522 VanDerWaalsContact O-CB 3.26Å; P518-I522 WeakPolarHBondContact O-CB 3.39Å; P518-I522 WeakPolarHBondContact O-CD1 3.39Å; P518-I522 WeakPolarHBondContact O-CG1 3.5Å; P518-I522 PolarHBondContact O-N 3.1Å; P518-I549 HydrophobicContact CB-CD1 3.65Å; P518-I549 HydrophobicContact CB-CG1 4.4Å; P518-I549 HydrophobicContact CB-CG2 3.98Å; P518-I549 HydrophobicContact CG-CD1 4.41Å; P518-I549 HydrophobicContact CG-CG2 3.91Å; P518-C561 WeakPolarHBondContact CD-O 3.31Å; P518-C561 HydrophobicContact CG-CB 4.03Å; P518-A563 HydrophobicContact CB-CB 4.07Å; P518-A563 HydrophobicContact CG-CB 4.43Å
519E85.9Confident94.2Very high132 Ų13232.1 Ų32.162%0.61718%0.182SC*.Hα-helixtrans-52-57.3179.1-68.5176.3169.200111.9A517 V521 I522 D523 M546A517-E519 PolarHBondContact O-N 3.35Å; E519-V521 PolarHBondContact O-N 3.47Å; E519-I522 PolarHBondContact O-N 3.43Å; E519-D523 WeakPolarHBondContact O-CB 3.37Å; E519-D523 PolarHBondContact O-N 3.27Å; E519-M546 HydrophobicContact CG-CE 3.55Å
520G87.9Confident94.9Very high26 Ų2630.7 Ų30.727%0.26816%0.163SC..Hα-helixtrans-70.4-31.3-175.600000114.2A517 P518 R524A517-G520 PolarHBondContact O-N 3.37Å; P518-G520 PolarHBondContact O-N 3.07Å; G520-R524 PolarHBondContact O-NE 3.41Å; G520-R524 PolarHBondContact O-NH2 3.18Å
521V96.2Very high95Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-75.2-43.3177.3174.10000110.8A517 P518 E519 D523 R524 C525 A563 A565 L591A517-V521 WeakPolarHBondContact O-CG2 3.44Å; A517-V521 PolarHBondContact O-N 3.25Å; A517-V521 VanDerWaalsContact O-N 3.09Å; P518-V521 PolarHBondContact O-N 2.95Å; E519-V521 PolarHBondContact O-N 3.47Å; V521-D523 VanDerWaalsContact C-N 3.34Å; V521-D523 PolarHBondContact O-N 3.12Å; V521-R524 PolarHBondContact O-N 3.42Å; V521-R524 VanDerWaalsContact O-N 3.17Å; V521-C525 PolarHBondContact O-N 3.14Å; V521-C525 PolarHBondContact O-SG 3.34Å; V521-A563 HydrophobicContact CB-CB 4.08Å; V521-A563 HydrophobicContact CG1-CB 4.11Å; V521-A565 HydrophobicContact CG1-CB 3.81Å; V521-L591 HydrophobicContact CG1-CD1 4.37Å
522I96.1Very high94.9Very high1 Ų132.7 Ų32.71%0.00519%0.186CC..Hα-helixtrans-67.2-37.1-179.6-65.7165.9000110.6P518 E519 R524 C525 L537 K542 I545 M546 I549 A563 F593P518-I522 HydrophobicContact CB-CD1 4.11Å; P518-I522 VanDerWaalsContact O-CB 3.26Å; P518-I522 WeakPolarHBondContact O-CB 3.39Å; P518-I522 WeakPolarHBondContact O-CD1 3.39Å; P518-I522 WeakPolarHBondContact O-CG1 3.5Å; P518-I522 PolarHBondContact O-N 3.1Å; E519-I522 PolarHBondContact O-N 3.43Å; I522-R524 PolarHBondContact O-N 3.01Å; I522-C525 WeakPolarHBondContact O-CB 3.47Å; I522-C525 PolarHBondContact O-N 3.45Å; I522-L537 HydrophobicContact CG2-CD2 4.29Å; I522-K542 HydrophobicContact CG2-CD 4.35Å; I522-K542 HydrophobicContact CG2-CG 3.85Å; I522-I545 HydrophobicContact CD1-CG2 3.61Å; I522-M546 HydrophobicContact CD1-SD 3.62Å; I522-I549 HydrophobicContact CD1-CD1 3.57Å; I522-A563 HydrophobicContact CG1-CB 4.3Å; I522-F593 HydrophobicContact CD1-CE2 4.21Å; I522-F593 HydrophobicContact CG1-CD2 3.96Å; I522-F593 HydrophobicContact CG1-CE2 4.04Å
523D94.9Very high94.7Very high98 Ų9836.5 Ų36.552%0.52421%0.209SC..Hα-helixtrans-60-27174.6-75.7-13.9000113.4E519 V521 K542E519-D523 WeakPolarHBondContact O-CB 3.37Å; E519-D523 PolarHBondContact O-N 3.27Å; V521-D523 VanDerWaalsContact C-N 3.34Å; V521-D523 PolarHBondContact O-N 3.12Å; D523-K542 WeakPolarHBondContact OD1-CE 3.46Å; D523-K542 IonicContact OD1-NZ 3.69Å; D523-K542 PolarHBondContact OD1-NZ 3.17Å
524R97.4Very high94.5Very high27 Ų2741.1 Ų41.110%0.10223%0.227CC..THydrogen-bonded Turntrans-92.50.1177.4-68.6177.6-70.6162.6-7.5113.4R491 S493 G520 V521 I522 E588 D590 L591R491-R524 PolarHBondContact O-NH2 3.48Å; S493-R524 PolarHBondContact OG-NH1 2.81Å; S493-R524 VanDerWaalsContact OG-NH1 3.15Å; S493-R524 PolarHBondContact OG-NH2 3.44Å; G520-R524 PolarHBondContact O-NE 3.41Å; G520-R524 PolarHBondContact O-NH2 3.18Å; V521-R524 PolarHBondContact O-N 3.42Å; V521-R524 VanDerWaalsContact O-N 3.17Å; I522-R524 PolarHBondContact O-N 3.01Å; R524-E588 WeakPolarHBondContact CD-O 3.24Å; R524-E588 IonicContact CZ-OE2 2.67Å; R524-E588 VanDerWaalsContact NH1-CB 3.28Å; R524-E588 IonicContact NH1-OE2 3.36Å; R524-E588 PolarHBondContact NH1-OE2 3.46Å; R524-D590 PolarHBondContact O-N 3.32Å; R524-L591 HydrophobicContact CB-CD1 4.06Å; R524-L591 HydrophobicContact CB-CG 4.41Å; R524-L591 PolarHBondContact O-N 3.23Å
525C98.1Very high94.4Very high5 Ų543 Ų433%0.03424%0.238CC..EExtended strand (participates in β ladder)trans-88.3123.4175.2-64.90000110.4V521 I522 L537 L591 F593V521-C525 PolarHBondContact O-N 3.14Å; V521-C525 PolarHBondContact O-SG 3.34Å; I522-C525 WeakPolarHBondContact O-CB 3.47Å; I522-C525 PolarHBondContact O-N 3.45Å; C525-L537 HydrophobicContact CB-CD2 4.07Å; C525-L537 WeakPolarHBondContact O-CD2 3.11Å; C525-L591 CarbonylContact C-O 3.59Å; C525-L591 VanDerWaalsContact CA-O 3.25Å; C525-L591 WeakPolarHBondContact CA-O 3.48Å; C525-L591 HydrophobicContact CB-CB 4.38Å; C525-F593 HydrophobicContact CB-CB 4.25Å
526N97.8Very high94.3Very high87 Ų8746.5 Ų46.547%0.46526%0.262SS..EExtended strand (participates in β ladder)trans-97-14.4169.5-71.2-22.9000111.8L537 D590 L591N526-L537 PolarHBondContact O-N 2.99Å; N526-D590 PolarHBondContact ND2-OD1 3.39Å; N526-L591 PolarHBondContact N-O 3.33Å
527Y98Very high94.5Very high56 Ų5648 Ų4822%0.2227%0.269CS..EExtended strand (participates in β ladder)trans-132.7166.5-175.7-53.7-79.1000111.7R534 V535 D590 L591 T592 F593Y527-R534 HydrophobicContact CD1-CG 4.06Å; Y527-R534 HydrophobicContact CG-CG 3.95Å; Y527-V535 CarbonylContact C-O 3.47Å; Y527-V535 WeakPolarHBondContact CA-O 3.2Å; Y527-V535 WeakPolarHBondContact CB-O 3.39Å; Y527-D590 VanDerWaalsContact CE2-OD1 3.24Å; Y527-D590 WeakPolarHBondContact CE2-OD1 3.46Å; Y527-L591 PolarHBondContact N-O 3.47Å; Y527-L591 VanDerWaalsContact N-O 3.14Å; Y527-T592 WeakPolarHBondContact O-CA 3.22Å; Y527-F593 PolarHBondContact O-N 3.5Å
528V97.5Very high94.8Very high0 Ų048.9 Ų48.90%027%0.271CS..EExtended strand (participates in β ladder)trans-133136.6177.1177.80000109I369 V530 V535 L537 V541 F593I369-V528 HydrophobicContact CB-CG1 4.04Å; I369-V528 HydrophobicContact CD1-CG1 4.44Å; I369-V528 HydrophobicContact CG1-CG1 3.46Å; I369-V528 VanDerWaalsContact CG1-CG1 3.46Å; I369-V528 HydrophobicContact CG2-CG1 4.1Å; V528-V530 HydrophobicContact CG1-CG2 4.48Å; V528-V535 HydrophobicContact CB-CG2 4.05Å; V528-V535 PolarHBondContact N-O 3.21Å; V528-V535 PolarHBondContact O-N 3.22Å; V528-L537 HydrophobicContact CG2-CB 3.85Å; V528-L537 HydrophobicContact CG2-CD1 3.31Å; V528-L537 HydrophobicContact CG2-CG 4.16Å; V528-V541 HydrophobicContact CG2-CG1 4.06Å; V528-F593 HydrophobicContact CG1-CD1 4.46Å; V528-F593 HydrophobicContact CG2-CB 4.44Å
529R97.8Very high95Very high22 Ų2250.2 Ų50.28%0.08329%0.288CS..EExtended strand (participates in β ladder)trans-84.9131.7174.3-168.475.272.2-146.80.1110.3I369 E412 G531 T533 D568 T592 F593 V594I369-R529 WeakPolarHBondContact CB-O 3.47Å; E412-R529 IonicContact OE1-CZ 3.71Å; E412-R529 IonicContact OE1-NE 2.8Å; E412-R529 PolarHBondContact OE1-NE 3Å; E412-R529 IonicContact OE1-NH2 3.73Å; E412-R529 PolarHBondContact OE1-NH2 3.07Å; E412-R529 WeakPolarHBondContact OE2-CD 3.38Å; E412-R529 VanDerWaalsContact OE2-CG 3.32Å; E412-R529 WeakPolarHBondContact OE2-CG 3.43Å; E412-R529 IonicContact OE2-CZ 2.77Å; E412-R529 IonicContact OE2-NE 3.6Å; E412-R529 PolarHBondContact OE2-NE 3.25Å; E412-R529 IonicContact OE2-NH2 3.79Å; R529-G531 VanDerWaalsContact CG-O 3.28Å; R529-G531 WeakPolarHBondContact CG-O 3.34Å; R529-T533 VanDerWaalsContact CD-O 3.31Å; R529-T533 WeakPolarHBondContact CD-O 3.48Å; R529-D568 IonicContact CZ-OD1 3.61Å; R529-D568 IonicContact CZ-OD2 3.61Å; R529-D568 IonicContact NH1-OD1 2.92Å; R529-D568 IonicContact NH1-OD2 2.78Å; R529-D568 PolarHBondContact NH1-OD2 2.54Å; R529-D568 IonicContact NH2-OD1 3.45Å; R529-D568 PolarHBondContact NH2-OD1 3.16Å; R529-D568 IonicContact NH2-OD2 3.67Å; R529-D568 PolarHBondContact NH2-OD2 3.11Å; R529-T592 HydrophobicContact CB-CG2 3.99Å; R529-F593 WeakPolarHBondContact CB-O 3.42Å; R529-F593 PolarHBondContact N-O 2.99Å; R529-V594 HydrophobicContact CB-CG2 4.37Å
530V96.4Very high95.4Very high21 Ų2146.2 Ų46.213%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-128.699.4173.7-174.90000108.2I369 D370 V372 V528 T532 T533 V535I369-V530 HydrophobicContact CB-CG2 4.45Å; I369-V530 HydrophobicContact CG2-CG2 3.87Å; D370-V530 WeakPolarHBondContact O-CG1 3.06Å; V372-V530 HydrophobicContact CB-CG2 4.49Å; V372-V530 HydrophobicContact CG2-CG2 3.96Å; V528-V530 HydrophobicContact CG1-CG2 4.48Å; V530-T532 PolarHBondContact O-N 3.14Å; V530-T532 VanDerWaalsContact O-N 3.14Å; V530-T533 PolarHBondContact N-O 2.92Å; V530-T533 PolarHBondContact O-N 3.48Å; V530-T533 PolarHBondContact O-OG1 2.6Å; V530-V535 HydrophobicContact CG2-CG2 3.96Å
531G93Very high95.7Very high29 Ų2945 Ų4530%0.29926%0.261SS..THydrogen-bonded Turntrans59.2-114-16700000110.7R529R529-G531 VanDerWaalsContact CG-O 3.28Å; R529-G531 WeakPolarHBondContact CG-O 3.34Å
532T92.5Very high95.6Very high108 Ų10848.4 Ų48.466%0.66328%0.276SS*.THydrogen-bonded Turntrans-97.3-8.4173.753.10000113.8D408 V530D408-T532 HydrophobicContact CB-CG2 3.79Å; V530-T532 PolarHBondContact O-N 3.14Å; V530-T532 VanDerWaalsContact O-N 3.14Å
533T94.3Very high95.5Very high79 Ų7955.4 Ų55.449%0.48531%0.309SS..EExtended strand (participates in β ladder)trans-89158.9-177.368.60000111.9R529 V530R529-T533 VanDerWaalsContact CD-O 3.31Å; R529-T533 WeakPolarHBondContact CD-O 3.48Å; V530-T533 PolarHBondContact N-O 2.92Å; V530-T533 PolarHBondContact O-N 3.48Å; V530-T533 PolarHBondContact O-OG1 2.6Å
534R94.3Very high95.5Very high107 Ų10755.6 Ų55.640%0.40431%0.305SS..EExtended strand (participates in β ladder)trans-122.8128178.5-171.8-173.881.8175.38109.9Y527 D568 T592Y527-R534 HydrophobicContact CD1-CG 4.06Å; Y527-R534 HydrophobicContact CG-CG 3.95Å; R534-D568 VanDerWaalsContact CD-OD2 3.25Å; R534-D568 WeakPolarHBondContact CD-OD2 3.49Å; R534-D568 IonicContact NH1-OD2 3.56Å; R534-T592 HydrophobicContact CG-CG2 4.05Å
535V95.3Very high95.4Very high39 Ų3954.3 Ų54.324%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-124.4156.4176.2-60.70000110.7V372 Y527 V528 V530V372-V535 HydrophobicContact CB-CG2 4.12Å; V372-V535 HydrophobicContact CG1-CG2 4.4Å; V372-V535 HydrophobicContact CG2-CG2 4.17Å; Y527-V535 CarbonylContact C-O 3.47Å; Y527-V535 WeakPolarHBondContact CA-O 3.2Å; Y527-V535 WeakPolarHBondContact CB-O 3.39Å; V528-V535 HydrophobicContact CB-CG2 4.05Å; V528-V535 PolarHBondContact N-O 3.21Å; V528-V535 PolarHBondContact O-N 3.22Å; V530-V535 HydrophobicContact CG2-CG2 3.96Å
536P96.8Very high95.1Very high88 Ų8856.4 Ų56.457%0.57131%0.31SS*.EExtended strand (participates in β ladder)trans-62.9143.1174.5-21.834000112.6T538P536-T538 PolarHBondContact O-N 2.68Å
537L95.7Very high94.9Very high33 Ų3354.9 Ų54.917%0.17331%0.31CS..  trans-76.5112.9171.3-179.268000109.5I522 C525 N526 V528 V541 K542 I545I522-L537 HydrophobicContact CG2-CD2 4.29Å; C525-L537 HydrophobicContact CB-CD2 4.07Å; C525-L537 WeakPolarHBondContact O-CD2 3.11Å; N526-L537 PolarHBondContact O-N 2.99Å; V528-L537 HydrophobicContact CG2-CB 3.85Å; V528-L537 HydrophobicContact CG2-CD1 3.31Å; V528-L537 HydrophobicContact CG2-CG 4.16Å; L537-V541 HydrophobicContact CD1-CB 4.18Å; L537-V541 HydrophobicContact CD1-CG1 3.79Å; L537-K542 HydrophobicContact CD1-CB 4.15Å; L537-K542 HydrophobicContact CD2-CB 4.39Å; L537-K542 HydrophobicContact CD2-CD 4.46Å; L537-K542 HydrophobicContact CG-CB 4.34Å; L537-I545 HydrophobicContact CD1-CD1 4.41Å
538T95Very high94.7Very high50 Ų5052.4 Ų52.431%0.30730%0.3SS..  trans-95.3161.9174.564.50000111.3P536 V541 K542P536-T538 PolarHBondContact O-N 2.68Å; T538-V541 PolarHBondContact O-N 3.19Å; T538-V541 VanDerWaalsContact OG1-CG2 3.24Å; T538-V541 WeakPolarHBondContact OG1-CG2 3.27Å; T538-K542 PolarHBondContact O-N 3.16Å
539G93.9Very high94.4Very high46 Ų4653.2 Ų53.247%0.47430%0.304SS..Hα-helixtrans-52.3-51.3176.400000113.9V541 K542 E543G539-V541 VanDerWaalsContact C-N 3.33Å; G539-V541 PolarHBondContact O-N 2.79Å; G539-K542 WeakPolarHBondContact O-CB 3.41Å; G539-K542 PolarHBondContact O-N 3.16Å; G539-K542 VanDerWaalsContact O-N 3.16Å; G539-E543 PolarHBondContact O-N 3.04Å
540P93.5Very high93.9Very high49 Ų4959.2 Ų59.232%0.31833%0.331SS..Hα-helixtrans-59.6-39.1178.7-27.736.7000113.8D375 E543 K544D375-P540 HydrophobicContact CB-CB 4.26Å; D375-P540 HydrophobicContact CB-CG 4.18Å; P540-E543 PolarHBondContact O-N 3.2Å; P540-K544 WeakPolarHBondContact O-CB 3.3Å; P540-K544 PolarHBondContact O-N 2.92Å
541V94.4Very high93.6Very high0 Ų063.9 Ų63.90%035%0.351CS..Hα-helixtrans-64.9-45176.5175.20000110.4V372 C377 V528 L537 T538 G539 K544 I545V372-V541 HydrophobicContact CG1-CG2 3.74Å; V372-V541 HydrophobicContact CG2-CG2 4.3Å; C377-V541 HydrophobicContact CB-CB 4.49Å; C377-V541 HydrophobicContact CB-CG2 3.98Å; V528-V541 HydrophobicContact CG2-CG1 4.06Å; L537-V541 HydrophobicContact CD1-CB 4.18Å; L537-V541 HydrophobicContact CD1-CG1 3.79Å; T538-V541 PolarHBondContact O-N 3.19Å; T538-V541 VanDerWaalsContact OG1-CG2 3.24Å; T538-V541 WeakPolarHBondContact OG1-CG2 3.27Å; G539-V541 VanDerWaalsContact C-N 3.33Å; G539-V541 PolarHBondContact O-N 2.79Å; V541-K544 PolarHBondContact O-N 3.46Å; V541-I545 HydrophobicContact CG1-CD1 3.86Å; V541-I545 VanDerWaalsContact O-CG1 3.28Å; V541-I545 WeakPolarHBondContact O-CG1 3.48Å; V541-I545 PolarHBondContact O-N 3.34Å; V541-I545 VanDerWaalsContact O-N 3.08Å
542K95.1Very high93.4Very high71 Ų7162.5 Ų62.531%0.30934%0.337SS..Hα-helixtrans-60.6-46.3177.5-175.4177.7179.5-178.80111.9I522 D523 L537 T538 G539 K544 I545 M546I522-K542 HydrophobicContact CG2-CD 4.35Å; I522-K542 HydrophobicContact CG2-CG 3.85Å; D523-K542 WeakPolarHBondContact OD1-CE 3.46Å; D523-K542 IonicContact OD1-NZ 3.69Å; D523-K542 PolarHBondContact OD1-NZ 3.17Å; L537-K542 HydrophobicContact CD1-CB 4.15Å; L537-K542 HydrophobicContact CD2-CB 4.39Å; L537-K542 HydrophobicContact CD2-CD 4.46Å; L537-K542 HydrophobicContact CG-CB 4.34Å; T538-K542 PolarHBondContact O-N 3.16Å; G539-K542 WeakPolarHBondContact O-CB 3.41Å; G539-K542 PolarHBondContact O-N 3.16Å; G539-K542 VanDerWaalsContact O-N 3.16Å; K542-K544 PolarHBondContact O-N 3.37Å; K542-I545 PolarHBondContact O-N 2.86Å; K542-M546 WeakPolarHBondContact O-CB 3.5Å; K542-M546 WeakPolarHBondContact O-CG 3.14Å; K542-M546 PolarHBondContact O-N 3.07Å
543E93.5Very high92.8Very high149 Ų14958.7 Ų58.770%0.69632%0.319SS*.Hα-helixtrans-61.6-42.8177.6-75.5-177.717700111.9G539 P540 I545 M546 A547G539-E543 PolarHBondContact O-N 3.04Å; P540-E543 PolarHBondContact O-N 3.2Å; E543-I545 PolarHBondContact O-N 3.37Å; E543-M546 PolarHBondContact O-N 3.28Å; E543-A547 WeakPolarHBondContact O-CB 3.32Å; E543-A547 PolarHBondContact O-N 3.24Å
544K94.8Very high91.9Very high101 Ų10159.9 Ų59.944%0.43933%0.327SS..Hα-helixtrans-61.7-43.7177.8-177.159177.5174.10112.3C377 L379 P540 V541 K542 A547 V548C377-K544 HydrophobicContact CB-CB 4.39Å; C377-K544 HydrophobicContact CB-CG 4.33Å; L379-K544 HydrophobicContact CD1-CG 4.27Å; P540-K544 WeakPolarHBondContact O-CB 3.3Å; P540-K544 PolarHBondContact O-N 2.92Å; V541-K544 PolarHBondContact O-N 3.46Å; K542-K544 PolarHBondContact O-N 3.37Å; K544-A547 PolarHBondContact O-N 3.37Å; K544-V548 PolarHBondContact O-N 2.96Å
545I94.8Very high91.1Very high0 Ų056.2 Ų56.20%032%0.322CS..Hα-helixtrans-61.9-49.5176.6-67.7165.6000110.1F367 I369 L379 I522 L537 V541 K542 E543 A547 V548 I549 F593F367-I545 HydrophobicContact CE2-CG2 4.28Å; F367-I545 HydrophobicContact CZ-CG2 4.01Å; I369-I545 HydrophobicContact CD1-CD1 4Å; I369-I545 HydrophobicContact CD1-CG1 4.03Å; L379-I545 HydrophobicContact CD2-CG1 4.5Å; I522-I545 HydrophobicContact CD1-CG2 3.61Å; L537-I545 HydrophobicContact CD1-CD1 4.41Å; V541-I545 HydrophobicContact CG1-CD1 3.86Å; V541-I545 VanDerWaalsContact O-CG1 3.28Å; V541-I545 WeakPolarHBondContact O-CG1 3.48Å; V541-I545 PolarHBondContact O-N 3.34Å; V541-I545 VanDerWaalsContact O-N 3.08Å; K542-I545 PolarHBondContact O-N 2.86Å; E543-I545 PolarHBondContact O-N 3.37Å; I545-A547 VanDerWaalsContact C-N 3.32Å; I545-A547 PolarHBondContact O-N 3.47Å; I545-V548 PolarHBondContact O-N 3.06Å; I545-I549 HydrophobicContact CG2-CD1 3.76Å; I545-I549 WeakPolarHBondContact O-CD1 3.41Å; I545-I549 WeakPolarHBondContact O-CG1 3.45Å; I545-I549 PolarHBondContact O-N 3.32Å; I545-I549 VanDerWaalsContact O-N 3.16Å; I545-F593 HydrophobicContact CD1-CD1 3.91Å; I545-F593 HydrophobicContact CD1-CE1 3.81Å; I545-F593 HydrophobicContact CD1-CG 4.42Å; I545-F593 HydrophobicContact CD1-CZ 4.23Å; I545-F593 HydrophobicContact CG1-CE1 4.31Å; I545-F593 HydrophobicContact CG1-CZ 4.5Å; I545-F593 HydrophobicContact CG2-CE1 4.35Å; I545-F593 HydrophobicContact CG2-CE2 4.02Å; I545-F593 HydrophobicContact CG2-CZ 3.74Å
546M93.3Very high90Very high49 Ų4961.6 Ų61.624%0.24134%0.338CS..Hα-helixtrans-64.1-34.3-179.4-73-57.3-60.500113.1E519 I522 K542 E543 I549 K550E519-M546 HydrophobicContact CG-CE 3.55Å; I522-M546 HydrophobicContact CD1-SD 3.62Å; K542-M546 WeakPolarHBondContact O-CB 3.5Å; K542-M546 WeakPolarHBondContact O-CG 3.14Å; K542-M546 PolarHBondContact O-N 3.07Å; E543-M546 PolarHBondContact O-N 3.28Å; M546-I549 PolarHBondContact O-N 3.38Å; M546-I549 HydrophobicContact SD-CD1 4.01Å; M546-K550 WeakPolarHBondContact O-CB 3.44Å; M546-K550 PolarHBondContact O-N 2.73Å
547A93.6Very high89.1Confident55 Ų5559.2 Ų59.246%0.45532%0.32SS..Hα-helixtrans-62.2-45.6176.400000112.1E543 K544 I545 K550 E551E543-A547 WeakPolarHBondContact O-CB 3.32Å; E543-A547 PolarHBondContact O-N 3.24Å; K544-A547 PolarHBondContact O-N 3.37Å; I545-A547 VanDerWaalsContact C-N 3.32Å; I545-A547 PolarHBondContact O-N 3.47Å; A547-K550 PolarHBondContact O-N 3.4Å; A547-E551 PolarHBondContact O-N 3.36Å
548V94.3Very high88.4Confident4 Ų458.2 Ų58.22%0.02432%0.316CS..Hα-helixtrans-67.7-40.1178.3176.30000111.6F367 L379 K544 I545 K550 E551 W552F367-V548 HydrophobicContact CD1-CG1 3.96Å; F367-V548 HydrophobicContact CE1-CB 4.26Å; F367-V548 HydrophobicContact CE1-CG1 3.79Å; L379-V548 HydrophobicContact CD1-CB 4.33Å; L379-V548 HydrophobicContact CD1-CG2 3.64Å; K544-V548 PolarHBondContact O-N 2.96Å; I545-V548 PolarHBondContact O-N 3.06Å; V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 PolarHBondContact O-N 3.39Å; V548-E551 WeakPolarHBondContact O-CB 3.2Å; V548-E551 PolarHBondContact O-N 3.27Å; V548-W552 HydrophobicContact CG1-CD2 4.33Å; V548-W552 HydrophobicContact CG1-CG 4.46Å; V548-W552 HydrophobicContact CG1-CZ2 4.26Å; V548-W552 PolarHBondContact O-N 3.49Å
549I91Very high88Confident17 Ų1756.3 Ų56.39%0.08730%0.303CS..Hα-helixtrans-59.1-44174.4-68.4156.8000110.7F367 P518 I522 I545 M546 W552 G553 C561 V596F367-I549 HydrophobicContact CE1-CG1 4.27Å; F367-I549 HydrophobicContact CZ-CG1 4.28Å; P518-I549 HydrophobicContact CB-CD1 3.65Å; P518-I549 HydrophobicContact CB-CG1 4.4Å; P518-I549 HydrophobicContact CB-CG2 3.98Å; P518-I549 HydrophobicContact CG-CD1 4.41Å; P518-I549 HydrophobicContact CG-CG2 3.91Å; I522-I549 HydrophobicContact CD1-CD1 3.57Å; I545-I549 HydrophobicContact CG2-CD1 3.76Å; I545-I549 WeakPolarHBondContact O-CD1 3.41Å; I545-I549 WeakPolarHBondContact O-CG1 3.45Å; I545-I549 PolarHBondContact O-N 3.32Å; I545-I549 VanDerWaalsContact O-N 3.16Å; M546-I549 PolarHBondContact O-N 3.38Å; M546-I549 HydrophobicContact SD-CD1 4.01Å; I549-W552 PolarHBondContact O-N 3.06Å; I549-G553 PolarHBondContact O-N 2.73Å; I549-C561 HydrophobicContact CG2-CB 4.05Å; I549-V596 HydrophobicContact CD1-CG2 4.01Å; I549-V596 HydrophobicContact CG1-CG1 4.29Å; I549-V596 HydrophobicContact CG1-CG2 4.06Å
550K86.5Confident87.7Confident148 Ų14860.1 Ų60.164%0.64330%0.303SS*.Hα-helixtrans-63.7-43.5177.6-174.4177.7178.4-179.30111.1M546 A547 V548 G553 T554M546-K550 WeakPolarHBondContact O-CB 3.44Å; M546-K550 PolarHBondContact O-N 2.73Å; A547-K550 PolarHBondContact O-N 3.4Å; V548-K550 VanDerWaalsContact C-N 3.29Å; V548-K550 PolarHBondContact O-N 3.39Å; K550-G553 PolarHBondContact O-N 3.08Å; K550-T554 WeakPolarHBondContact O-CB 3.42Å; K550-T554 PolarHBondContact O-N 3.47Å; K550-T554 PolarHBondContact O-OG1 3.37Å
551E89.5Confident87.6Confident119 Ų11958.6 Ų58.656%0.55629%0.294SS*.Hα-helixtrans-58.4-48.6175.1-176.9-177.5165.900111.7A547 V548 G553 G555A547-E551 PolarHBondContact O-N 3.36Å; V548-E551 WeakPolarHBondContact O-CB 3.2Å; V548-E551 PolarHBondContact O-N 3.27Å; E551-G553 PolarHBondContact O-N 3.08Å; E551-G555 VanDerWaalsContact O-CA 3.26Å; E551-G555 WeakPolarHBondContact O-CA 3.47Å; E551-G555 PolarHBondContact O-N 3.46Å
552W89.8Confident87.7Confident1 Ų159.4 Ų59.40%0.00430%0.298CS..Hα-helixtrans-64.8-39.2178.8-73.312.8000112.5K365 F367 E381 V548 I549 T558 L559 V596K365-W552 HydrophobicContact CB-CD2 4.34Å; K365-W552 HydrophobicContact CB-CE3 4.12Å; K365-W552 HydrophobicContact CB-CH2 3.43Å; K365-W552 VanDerWaalsContact CB-CH2 3.43Å; K365-W552 HydrophobicContact CB-CZ2 3.71Å; K365-W552 HydrophobicContact CB-CZ3 3.67Å; K365-W552 HydrophobicContact CD-CD2 4.34Å; K365-W552 HydrophobicContact CD-CZ2 4Å; K365-W552 HydrophobicContact CG-CZ2 4.48Å; F367-W552 HydrophobicContact CB-CH2 4.15Å; F367-W552 AromaticContact CD1-CH2 3.53Å; F367-W552 HydrophobicContact CD1-CH2 3.53Å; F367-W552 AromaticContact CD1-CZ2 3.89Å; F367-W552 HydrophobicContact CD1-CZ2 3.89Å; F367-W552 AromaticContact CD1-CZ3 3.87Å; F367-W552 HydrophobicContact CD1-CZ3 3.87Å; F367-W552 HydrophobicContact CE1-CH2 4.45Å; F367-W552 HydrophobicContact CE1-CZ3 4.44Å; F367-W552 HydrophobicContact CG-CH2 4.32Å; E381-W552 HydrophobicContact CG-CZ2 4.45Å; V548-W552 HydrophobicContact CG1-CD2 4.33Å; V548-W552 HydrophobicContact CG1-CG 4.46Å; V548-W552 HydrophobicContact CG1-CZ2 4.26Å; V548-W552 PolarHBondContact O-N 3.49Å; I549-W552 PolarHBondContact O-N 3.06Å; W552-T558 CarbonylContact O-C 3.58Å; W552-T558 WeakPolarHBondContact O-CA 3.29Å; W552-T558 PolarHBondContact O-N 3.37Å; W552-T558 VanDerWaalsContact O-N 3.09Å; W552-L559 HydrophobicContact CB-CB 4.43Å; W552-L559 HydrophobicContact CB-CD1 4.26Å; W552-L559 HydrophobicContact CD2-CD1 4.18Å; W552-L559 HydrophobicContact CE3-CD1 4.08Å; W552-L559 HydrophobicContact CG-CD1 4.29Å; W552-L559 PolarHBondContact O-N 3.38Å; W552-V596 HydrophobicContact CE3-CG1 4.44Å; W552-V596 HydrophobicContact CZ3-CG1 4.23Å
553G80.1Confident87.8Confident27 Ų2756 Ų5628%0.27828%0.283SS..Hα-helixtrans-77-26.3-178.200000114.8I549 K550 E551I549-G553 PolarHBondContact O-N 2.73Å; K550-G553 PolarHBondContact O-N 3.08Å; E551-G553 PolarHBondContact O-N 3.08Å
554T75.7Confident88Confident105 Ų10548.9 Ų48.964%0.64425%0.25SS*.Hα-helixtrans-119.9-13.9-173.663.30000114.9K550K550-T554 WeakPolarHBondContact O-CB 3.42Å; K550-T554 PolarHBondContact O-N 3.47Å; K550-T554 PolarHBondContact O-OG1 3.37Å
555G76.3Confident88.2Confident29 Ų2944.1 Ų44.130%0.29923%0.229SC..SBendtrans-80.4-164.4176.600000112.9E551 D557 T558E551-G555 VanDerWaalsContact O-CA 3.26Å; E551-G555 WeakPolarHBondContact O-CA 3.47Å; E551-G555 PolarHBondContact O-N 3.46Å; G555-D557 PolarHBondContact O-N 2.83Å; G555-D557 VanDerWaalsContact O-N 3.11Å; G555-T558 WeakPolarHBondContact O-CG2 3.41Å; G555-T558 PolarHBondContact O-N 3.15Å
556R73.6Confident88.4Confident153 Ų15344.1 Ų44.158%0.57723%0.229SC*.THydrogen-bonded Turntrans-59.6-23.7-179-66.3-179.3179.3-151.9-6.2114E644R556-E644 IonicContact CZ-OE1 2.8Å; R556-E644 IonicContact CZ-OE2 2.79Å; R556-E644 VanDerWaalsContact CZ-OE2 3.23Å; R556-E644 IonicContact NH1-OE1 3.7Å; R556-E644 PolarHBondContact NH1-OE1 2.94Å; R556-E644 VanDerWaalsContact NH1-OE1 3.09Å; R556-E644 IonicContact NH1-OE2 3.05Å; R556-E644 PolarHBondContact NH1-OE2 3.03Å; R556-E644 IonicContact NH2-OE2 3.91Å; R556-E644 PolarHBondContact NH2-OE2 3.27Å
557D77.6Confident88.6Confident37 Ų3743.5 Ų43.520%0.19822%0.224CC..THydrogen-bonded Turntrans-78.9-35.4-177.7-58.3-56.2000112.5K365 G555 L559K365-D557 WeakPolarHBondContact CE-OD2 3.47Å; K365-D557 VanDerWaalsContact NZ-CG 3.32Å; K365-D557 IonicContact NZ-OD1 2.64Å; K365-D557 PolarHBondContact NZ-OD1 3.22Å; K365-D557 IonicContact NZ-OD2 3.97Å; K365-D557 PolarHBondContact NZ-OD2 3.1Å; G555-D557 PolarHBondContact O-N 2.83Å; G555-D557 VanDerWaalsContact O-N 3.11Å; D557-L559 VanDerWaalsContact C-N 3.27Å; D557-L559 HydrophobicContact CB-CD1 4Å; D557-L559 HydrophobicContact CB-CD2 4.08Å; D557-L559 HydrophobicContact CB-CG 3.64Å; D557-L559 PolarHBondContact O-N 3.13Å
558T80.4Confident88.6Confident13 Ų1341.8 Ų41.88%0.0821%0.208CC..  trans43.848-176.952.70000114.7W552 G555 A634W552-T558 CarbonylContact O-C 3.58Å; W552-T558 WeakPolarHBondContact O-CA 3.29Å; W552-T558 PolarHBondContact O-N 3.37Å; W552-T558 VanDerWaalsContact O-N 3.09Å; G555-T558 WeakPolarHBondContact O-CG2 3.41Å; G555-T558 PolarHBondContact O-N 3.15Å; T558-A634 HydrophobicContact CG2-CB 3.17Å
559L86.8Confident88.6Confident9 Ų946.8 Ų46.85%0.04724%0.238CC..  trans-79138.7-175.3-54.6177.8000111.3C364 K365 W552 D557 C561 M599 L600C364-L559 HydrophobicContact CB-CD2 4.29Å; K365-L559 HydrophobicContact CB-CD1 3.84Å; K365-L559 HydrophobicContact CD-CD1 3.99Å; K365-L559 HydrophobicContact CG-CD1 3.94Å; W552-L559 HydrophobicContact CB-CB 4.43Å; W552-L559 HydrophobicContact CB-CD1 4.26Å; W552-L559 HydrophobicContact CD2-CD1 4.18Å; W552-L559 HydrophobicContact CE3-CD1 4.08Å; W552-L559 HydrophobicContact CG-CD1 4.29Å; W552-L559 PolarHBondContact O-N 3.38Å; D557-L559 VanDerWaalsContact C-N 3.27Å; D557-L559 HydrophobicContact CB-CD1 4Å; D557-L559 HydrophobicContact CB-CD2 4.08Å; D557-L559 HydrophobicContact CB-CG 3.64Å; D557-L559 PolarHBondContact O-N 3.13Å; L559-C561 PolarHBondContact O-N 2.87Å; L559-C561 PolarHBondContact O-SG 3.36Å; L559-M599 CarbonylContact C-O 3.54Å; L559-M599 WeakPolarHBondContact CA-O 3.46Å; L559-L600 HydrophobicContact CD2-CB 3.55Å
560R87.8Confident88.8Confident126 Ų12646.9 Ų46.948%0.47524%0.24SC..EExtended strand (participates in β ladder)trans-70.2108.8160.8179.9175.9-179.7147.3-4.4108.4M599R560-M599 HydrophobicContact CB-CG 3.9Å; R560-M599 HydrophobicContact CG-CG 4.31Å; R560-M599 PolarHBondContact N-O 3.2Å; R560-M599 WeakPolarHBondContact O-CG 3.37Å; R560-M599 PolarHBondContact O-N 3.32Å
561C91.4Very high89.2Confident17 Ų1741 Ų4112%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-93.5136.2-177.9-62.80000111.8P518 I549 L559 V596 V597P518-C561 WeakPolarHBondContact CD-O 3.31Å; P518-C561 HydrophobicContact CG-CB 4.03Å; I549-C561 HydrophobicContact CG2-CB 4.05Å; L559-C561 PolarHBondContact O-N 2.87Å; L559-C561 PolarHBondContact O-SG 3.36Å; C561-V596 HydrophobicContact CB-CG1 4.18Å; C561-V597 CarbonylContact C-O 3.58Å; C561-V597 WeakPolarHBondContact CA-O 3.26Å
562L95.5Very high89.3Confident17 Ų1741.6 Ų41.69%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-121.4129.3169-71.6175.9000109.7T441 L445 V596 V597 M599T441-L562 HydrophobicContact CG2-CD1 3.82Å; L445-L562 HydrophobicContact CD1-CD1 4.35Å; L562-V596 VanDerWaalsContact O-CA 3.31Å; L562-V596 WeakPolarHBondContact O-CA 3.31Å; L562-V597 HydrophobicContact CB-CG2 3.91Å; L562-V597 PolarHBondContact N-O 3.48Å; L562-V597 PolarHBondContact O-N 2.87Å; L562-M599 HydrophobicContact CD1-CE 3.8Å; L562-M599 HydrophobicContact CG-CE 4.46Å
563A97.8Very high89.2Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-85.4140.3169.100000110.1K515 G516 P518 V521 I522 F593 V596K515-A563 WeakPolarHBondContact CA-O 3.42Å; G516-A563 PolarHBondContact N-O 3.3Å; G516-A563 VanDerWaalsContact N-O 3.1Å; G516-A563 PolarHBondContact O-N 3.03Å; P518-A563 HydrophobicContact CB-CB 4.07Å; P518-A563 HydrophobicContact CG-CB 4.43Å; V521-A563 HydrophobicContact CB-CB 4.08Å; V521-A563 HydrophobicContact CG1-CB 4.11Å; I522-A563 HydrophobicContact CG1-CB 4.3Å; A563-F593 HydrophobicContact CB-CE2 4.29Å; A563-V596 HydrophobicContact CB-CG2 4.29Å
564L98.5Very high89.7Confident0 Ų053.2 Ų53.20%026%0.26CS..EExtended strand (participates in β ladder)trans-119.6127.7-178.4-56.2174.2000108.3L413 I416 C417 V514 K515 V594 G595 V597L413-L564 HydrophobicContact CD1-CD1 4.29Å; L413-L564 HydrophobicContact CD2-CD1 4.04Å; L413-L564 HydrophobicContact CG-CD1 3.69Å; I416-L564 HydrophobicContact CD1-CB 4.01Å; I416-L564 HydrophobicContact CG2-CB 4.14Å; I416-L564 HydrophobicContact CG2-CD2 3.81Å; I416-L564 HydrophobicContact CG2-CG 4.44Å; C417-L564 VanDerWaalsContact SG-CD1 3.6Å; V514-L564 WeakPolarHBondContact O-CA 3.22Å; K515-L564 HydrophobicContact CB-CD2 3.53Å; L564-V594 PolarHBondContact O-N 3.29Å; L564-G595 PolarHBondContact N-O 3.48Å; L564-G595 PolarHBondContact O-N 3.12Å; L564-V597 HydrophobicContact CD1-CG1 3.88Å; L564-V597 HydrophobicContact CD1-CG2 4.26Å
565A98.4Very high90.5Very high0 Ų053.5 Ų53.50%025%0.254CS..EExtended strand (participates in β ladder)trans-142.4164.6-177.100000110.7V514 V521 L591 T592V514-A565 HydrophobicContact CB-CB 4.47Å; V514-A565 PolarHBondContact N-O 3Å; V514-A565 PolarHBondContact O-N 3.46Å; V514-A565 VanDerWaalsContact O-O 3.13Å; V521-A565 HydrophobicContact CG1-CB 3.81Å; A565-L591 HydrophobicContact CB-CB 4.16Å; A565-L591 HydrophobicContact CB-CD1 4.21Å; A565-T592 CarbonylContact C-O 3.33Å; A565-T592 VanDerWaalsContact CA-O 3.24Å; A565-T592 WeakPolarHBondContact CA-O 3.42Å; A565-T592 WeakPolarHBondContact CB-O 3.42Å
566T98.3Very high91Very high0 Ų052.7 Ų52.70%024%0.242CC..EExtended strand (participates in β ladder)trans-131.9144.6171.7-174.90000111.6E412 M512 T592 V594E412-T566 VanDerWaalsContact OE1-CG2 3.23Å; E412-T566 WeakPolarHBondContact OE1-CG2 3.16Å; M512-T566 CarbonylContact O-C 3.54Å; M512-T566 WeakPolarHBondContact O-CA 3.46Å; M512-T566 WeakPolarHBondContact O-CB 3.49Å; M512-T566 PolarHBondContact O-OG1 3.3Å; T566-T592 PolarHBondContact N-O 2.87Å; T566-T592 PolarHBondContact O-N 2.89Å; T566-V594 HydrophobicContact CG2-CG2 4.13Å
567R97.8Very high91.6Very high36 Ų3649.5 Ų49.514%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-89.6111.9164.2-159.6173.1178156.313.7108.4M512 T569 E586 Y587 T589 L591M512-R567 HydrophobicContact CB-CB 3.93Å; M512-R567 PolarHBondContact N-O 3.45Å; M512-R567 PolarHBondContact O-N 3.3Å; R567-T569 PolarHBondContact O-N 3.15Å; R567-E586 PolarHBondContact NH1-O 3.43Å; R567-E586 VanDerWaalsContact NH1-O 3.08Å; R567-Y587 WeakPolarHBondContact CD-O 3.34Å; R567-Y587 PolarHBondContact NH1-O 3.23Å; R567-T589 VanDerWaalsContact CD-O 3.27Å; R567-T589 WeakPolarHBondContact CD-O 3.48Å; R567-T589 PolarHBondContact NE-O 3.49Å; R567-T589 VanDerWaalsContact NE-O 3.12Å; R567-L591 HydrophobicContact CB-CD2 3.75Å; R567-L591 HydrophobicContact CG-CD2 4.21Å
568D94.1Very high91.6Very high20 Ų2050.4 Ų50.411%0.10724%0.241CC..SBendtrans-68.9-34.8-174.5-89.8-33.5000113.6K511 R529 R534 T592K511-D568 WeakPolarHBondContact CD-O 3.49Å; K511-D568 VanDerWaalsContact NZ-CA 3.31Å; K511-D568 PolarHBondContact NZ-O 3.39Å; K511-D568 IonicContact NZ-OD1 3.84Å; K511-D568 PolarHBondContact NZ-OD1 2.99Å; R529-D568 IonicContact CZ-OD1 3.61Å; R529-D568 IonicContact CZ-OD2 3.61Å; R529-D568 IonicContact NH1-OD1 2.92Å; R529-D568 IonicContact NH1-OD2 2.78Å; R529-D568 PolarHBondContact NH1-OD2 2.54Å; R529-D568 IonicContact NH2-OD1 3.45Å; R529-D568 PolarHBondContact NH2-OD1 3.16Å; R529-D568 IonicContact NH2-OD2 3.67Å; R529-D568 PolarHBondContact NH2-OD2 3.11Å; R534-D568 VanDerWaalsContact CD-OD2 3.25Å; R534-D568 WeakPolarHBondContact CD-OD2 3.49Å; R534-D568 IonicContact NH1-OD2 3.56Å; D568-T592 PolarHBondContact OD2-OG1 3.38Å
569T94.6Very high91.3Very high109 Ų10957.4 Ų57.467%0.66928%0.277SS*.SBendtrans-130.380.8-180-48.60000107.8R567R567-T569 PolarHBondContact O-N 3.15Å
570P94.9Very high90.7Very high18 Ų1860.3 Ų60.312%0.11729%0.293CS..PPolyproline II helixtrans-72.8158.6179.733.5-36.4000111Y497 N510 M512Y497-P570 HydrophobicContact CD2-CB 4.27Å; Y497-P570 HydrophobicContact CD2-CG 4.44Å; Y497-P570 HydrophobicContact CE2-CB 3.74Å; Y497-P570 HydrophobicContact CE2-CG 3.72Å; N510-P570 HydrophobicContact CB-CG 4.21Å; N510-P570 WeakPolarHBondContact O-CD 3.44Å; N510-P570 WeakPolarHBondContact O-CG 3.4Å; M512-P570 HydrophobicContact CB-CB 4.41Å; M512-P570 HydrophobicContact CG-CB 3.64Å; M512-P570 HydrophobicContact CG-CG 4.33Å; M512-P570 HydrophobicContact SD-CB 3.65Å
571P93.7Very high89.9Confident26 Ų2656 Ų5617%0.16928%0.283CS..PPolyproline II helixtrans-56.9158.4171.423-31.2000111.2Y497 M576 Y587Y497-P571 WeakPolarHBondContact CE2-O 3.17Å; Y497-P571 PolarHBondContact OH-O 2.99Å; P571-M576 HydrophobicContact CB-CG 4.19Å; P571-M576 HydrophobicContact CG-CG 3.81Å; P571-M576 HydrophobicContact CG-SD 3.86Å; P571-Y587 HydrophobicContact CG-CD1 4.31Å
572K92.2Very high89.1Confident130 Ų13058.4 Ų58.457%0.56530%0.303SS*.PPolyproline II helixtrans-68.8151.9176.4-65179-178.3168.10109.6E574 E575K572-E574 WeakPolarHBondContact CB-OE2 3.1Å; K572-E574 PolarHBondContact O-N 3.14Å; K572-E574 VanDerWaalsContact O-N 3.16Å; K572-E575 HydrophobicContact CB-CG 4.25Å; K572-E575 PolarHBondContact N-OE2 3.28Å; K572-E575 WeakPolarHBondContact O-CB 3.32Å; K572-E575 PolarHBondContact O-N 2.96Å
573R88Confident88.6Confident114 Ų11460.9 Ų60.943%0.4331%0.311SS..G310 helixtrans-56.2-36.7-178179.3175-178.51493.1111.9E482 F483 E575 M576E482-R573 IonicContact OE2-NH1 2.97Å; E482-R573 PolarHBondContact OE2-NH1 3.16Å; F483-R573 HydrophobicContact CE1-CG 4.05Å; R573-E575 PolarHBondContact O-N 3.43Å; R573-M576 PolarHBondContact O-N 3.17Å
574E90.6Very high88Confident159 Ų15961.1 Ų61.174%0.74331%0.312SS*.G310 helixtrans-71.1-18.1-177.8-54.273.2-152.800112.9K572K572-E574 WeakPolarHBondContact CB-OE2 3.1Å; K572-E574 PolarHBondContact O-N 3.14Å; K572-E574 VanDerWaalsContact O-N 3.16Å
575E91.6Very high87.5Confident111 Ų11164.6 Ų64.652%0.51933%0.331SS..G310 helixtrans-90.6-9.4178.9-63.3166.1-179.500112.1K572 R573K572-E575 HydrophobicContact CB-CG 4.25Å; K572-E575 PolarHBondContact N-OE2 3.28Å; K572-E575 WeakPolarHBondContact O-CB 3.32Å; K572-E575 PolarHBondContact O-N 2.96Å; R573-E575 PolarHBondContact O-N 3.43Å
576M87.1Confident87.2Confident11 Ų1169.7 Ų69.75%0.05436%0.355CS..  trans-99.7116.5-176.9-62.4177.971.200110.9F483 L485 Y497 M512 P571 R573 L578 Y587F483-M576 HydrophobicContact CE2-CE 3.67Å; F483-M576 HydrophobicContact CE2-SD 4.19Å; F483-M576 HydrophobicContact CZ-CE 3.87Å; F483-M576 HydrophobicContact CZ-SD 3.74Å; L485-M576 HydrophobicContact CD1-CE 4.06Å; L485-M576 HydrophobicContact CD2-CE 4.28Å; Y497-M576 HydrophobicContact CD2-CE 4.46Å; Y497-M576 HydrophobicContact CD2-SD 3.9Å; Y497-M576 HydrophobicContact CE2-SD 3.95Å; M512-M576 HydrophobicContact CE-CE 4.31Å; M512-M576 HydrophobicContact SD-CE 4.16Å; P571-M576 HydrophobicContact CB-CG 4.19Å; P571-M576 HydrophobicContact CG-CG 3.81Å; P571-M576 HydrophobicContact CG-SD 3.86Å; R573-M576 PolarHBondContact O-N 3.17Å; M576-L578 HydrophobicContact CB-CD2 4.05Å; M576-L578 HydrophobicContact CE-CD2 4.42Å; M576-L578 PolarHBondContact O-N 2.82Å; M576-Y587 HydrophobicContact CB-CE2 4.26Å; M576-Y587 HydrophobicContact CE-CD2 3.7Å; M576-Y587 HydrophobicContact CE-CE2 4.37Å; M576-Y587 HydrophobicContact CE-CG 3.81Å; M576-Y587 HydrophobicContact CG-CD1 4.33Å; M576-Y587 HydrophobicContact CG-CE1 4.29Å; M576-Y587 HydrophobicContact CG-CG 4.49Å
577I86.3Confident86.9Confident86 Ų8670.1 Ų70.144%0.44136%0.356SS..  trans-84.7108.4169-55.7180000107.8D580 Y587I577-D580 HydrophobicContact CG2-CB 4.02Å; I577-Y587 PolarHBondContact N-OH 3.44Å; I577-Y587 PolarHBondContact O-OH 3Å
578L78.9Confident86.9Confident57 Ų5768.4 Ų68.430%0.29835%0.35SS..SBendtrans-84-20.1-174.2-56.4-178.2000113.4F483 L485 M576 D580 F584F483-L578 HydrophobicContact CB-CD1 4.33Å; F483-L578 HydrophobicContact CD1-CD1 4.08Å; F483-L578 HydrophobicContact CD2-CD1 4.08Å; F483-L578 HydrophobicContact CD2-CD2 3.68Å; F483-L578 HydrophobicContact CE1-CD1 4.42Å; F483-L578 HydrophobicContact CE2-CD1 4.41Å; F483-L578 HydrophobicContact CE2-CD2 3.45Å; F483-L578 VanDerWaalsContact CE2-CD2 3.45Å; F483-L578 HydrophobicContact CG-CD1 3.91Å; F483-L578 HydrophobicContact CG-CD2 4.34Å; F483-L578 HydrophobicContact CZ-CD2 3.95Å; L485-L578 HydrophobicContact CD2-CD2 3.94Å; M576-L578 HydrophobicContact CB-CD2 4.05Å; M576-L578 HydrophobicContact CE-CD2 4.42Å; M576-L578 PolarHBondContact O-N 2.82Å; L578-D580 VanDerWaalsContact C-N 3.3Å; L578-F584 VanDerWaalsContact O-CZ 3.3Å; L578-F584 WeakPolarHBondContact O-CZ 3.41Å
579D72.6Confident86.9Confident159 Ų15970 Ų7085%0.8536%0.36SS*.SBendtrans-80-14-179.9-57.8-35.5000112.7
580D73.8Confident87Confident70 Ų7067.4 Ų67.437%0.37434%0.342SS..  trans-107.695.4-179-174.91000111.4I577 L578 A582 R583 F584I577-D580 HydrophobicContact CG2-CB 4.02Å; L578-D580 VanDerWaalsContact C-N 3.3Å; D580-A582 PolarHBondContact O-N 3.07Å; D580-A582 WeakPolarHBondContact OD1-CB 3.38Å; D580-A582 PolarHBondContact OD1-N 3.06Å; D580-A582 VanDerWaalsContact OD1-N 3.12Å; D580-R583 HydrophobicContact CB-CG 4.34Å; D580-R583 PolarHBondContact O-N 3.29Å; D580-R583 WeakPolarHBondContact OD2-CG 3.3Å; D580-F584 WeakPolarHBondContact O-CE1 3.41Å
581S72.8Confident87.2Confident37 Ų3766.5 Ų66.526%0.25934%0.337SS..G310 helixtrans-64.2-22.2-179.264.50000114.9T171 R583 F584T171-S581 VanDerWaalsContact CG2-CB 3.43Å; S581-R583 PolarHBondContact O-N 3.28Å; S581-F584 VanDerWaalsContact O-CB 3.31Å; S581-F584 WeakPolarHBondContact O-CB 3.46Å; S581-F584 WeakPolarHBondContact O-CG 3.29Å; S581-F584 PolarHBondContact O-N 2.91Å; S581-F584 VanDerWaalsContact O-N 3.1Å
582A74.7Confident87.4Confident66 Ų6665.3 Ų65.355%0.54533%0.328SS..G310 helixtrans-64.8-27.1177.700000111.8D580 F584D580-A582 PolarHBondContact O-N 3.07Å; D580-A582 WeakPolarHBondContact OD1-CB 3.38Å; D580-A582 PolarHBondContact OD1-N 3.06Å; D580-A582 VanDerWaalsContact OD1-N 3.12Å; A582-F584 VanDerWaalsContact C-N 3.31Å
583R83.3Confident87.7Confident70 Ų7059.1 Ų59.126%0.26430%0.302SS..G310 helixtrans-80.4-10.9177.9-58.8-165.867.6-155.3-7.8113.7D580 S581 L585 E586 Y587D580-R583 HydrophobicContact CB-CG 4.34Å; D580-R583 PolarHBondContact O-N 3.29Å; D580-R583 WeakPolarHBondContact OD2-CG 3.3Å; S581-R583 PolarHBondContact O-N 3.28Å; R583-L585 PolarHBondContact O-N 3.35Å; R583-E586 IonicContact NE-OE2 3.25Å; R583-E586 IonicContact NH2-OE2 3.18Å; R583-E586 WeakPolarHBondContact O-CB 2.8Å; R583-E586 PolarHBondContact O-N 3.47Å; R583-Y587 HydrophobicContact CB-CE1 4.36Å; R583-Y587 HydrophobicContact CB-CE2 3.8Å; R583-Y587 PolarHBondContact NE-OH 2.83Å; R583-Y587 PolarHBondContact NH1-OH 3.38Å; R583-Y587 WeakPolarHBondContact O-CD2 3.44Å; R583-Y587 PolarHBondContact O-N 3.27Å
584F86.9Confident88.2Confident4 Ų453.7 Ų53.72%0.01828%0.281CS..Hα-helixtrans-63.3-32.3-177.9-63.8-4.5000111.9L485 E486 L578 D580 S581 A582 E586 Y587 E588L485-F584 HydrophobicContact CB-CB 4.42Å; L485-F584 HydrophobicContact CB-CD2 3.91Å; L485-F584 HydrophobicContact CB-CE2 4.28Å; L485-F584 HydrophobicContact CB-CG 4.04Å; L485-F584 HydrophobicContact CD1-CB 4.16Å; L485-F584 HydrophobicContact CD1-CD1 4.21Å; L485-F584 HydrophobicContact CD1-CG 4.17Å; L485-F584 HydrophobicContact CD2-CD1 3.84Å; L485-F584 HydrophobicContact CD2-CE1 3.77Å; L485-F584 HydrophobicContact CD2-CE2 4.45Å; L485-F584 HydrophobicContact CD2-CG 4.23Å; L485-F584 HydrophobicContact CD2-CZ 4.08Å; L485-F584 HydrophobicContact CG-CD1 4.41Å; L485-F584 HydrophobicContact CG-CG 4.38Å; E486-F584 HydrophobicContact CG-CE2 4.24Å; L578-F584 VanDerWaalsContact O-CZ 3.3Å; L578-F584 WeakPolarHBondContact O-CZ 3.41Å; D580-F584 WeakPolarHBondContact O-CE1 3.41Å; S581-F584 VanDerWaalsContact O-CB 3.31Å; S581-F584 WeakPolarHBondContact O-CB 3.46Å; S581-F584 WeakPolarHBondContact O-CG 3.29Å; S581-F584 PolarHBondContact O-N 2.91Å; S581-F584 VanDerWaalsContact O-N 3.1Å; A582-F584 VanDerWaalsContact C-N 3.31Å; F584-E586 VanDerWaalsContact C-N 3.32Å; F584-E586 PolarHBondContact O-N 3.03Å; F584-Y587 HydrophobicContact CD1-CD2 4Å; F584-Y587 HydrophobicContact CD1-CE2 4.09Å; F584-Y587 PolarHBondContact O-N 2.68Å; F584-E588 WeakPolarHBondContact O-CB 3.18Å; F584-E588 WeakPolarHBondContact O-CG 3.3Å; F584-E588 PolarHBondContact O-N 3.49Å
585L87.1Confident88.6Confident73 Ų7346.1 Ų46.138%0.38225%0.246SC..Hα-helixtrans-57.7-45.3173.7-176.371000111.3R491 R583 E588 T589R491-L585 HydrophobicContact CB-CB 4.48Å; R491-L585 HydrophobicContact CB-CD1 3.54Å; R583-L585 PolarHBondContact O-N 3.35Å; L585-E588 CarbonylContact O-C 3.6Å; L585-E588 PolarHBondContact O-N 3.05Å; L585-E588 VanDerWaalsContact O-N 3.15Å; L585-T589 WeakPolarHBondContact O-CG2 3.42Å
586E91.3Very high88.9Confident108 Ų10840.9 Ų40.951%0.50522%0.221SC..Hα-helixtrans-64.9-38.7178.5-56.1-179.7165.700111.8R567 R583 F584 E588 T589R567-E586 PolarHBondContact NH1-O 3.43Å; R567-E586 VanDerWaalsContact NH1-O 3.08Å; R583-E586 IonicContact NE-OE2 3.25Å; R583-E586 IonicContact NH2-OE2 3.18Å; R583-E586 WeakPolarHBondContact O-CB 2.8Å; R583-E586 PolarHBondContact O-N 3.47Å; F584-E586 VanDerWaalsContact C-N 3.32Å; F584-E586 PolarHBondContact O-N 3.03Å; E586-E588 PolarHBondContact O-N 2.8Å; E586-T589 PolarHBondContact O-N 2.78Å; E586-T589 PolarHBondContact O-OG1 2.87Å
587Y93.8Very high89.4Confident9 Ų940.3 Ų40.34%0.03522%0.219CC..Hα-helixtrans-70.1-19.2176-53.1-31.4000112.8L485 M512 R567 P571 M576 I577 R583 F584L485-Y587 HydrophobicContact CD1-CD2 3.91Å; L485-Y587 HydrophobicContact CD1-CG 4.39Å; M512-Y587 WeakPolarHBondContact CE-O 3.41Å; R567-Y587 WeakPolarHBondContact CD-O 3.34Å; R567-Y587 PolarHBondContact NH1-O 3.23Å; P571-Y587 HydrophobicContact CG-CD1 4.31Å; M576-Y587 HydrophobicContact CB-CE2 4.26Å; M576-Y587 HydrophobicContact CE-CD2 3.7Å; M576-Y587 HydrophobicContact CE-CE2 4.37Å; M576-Y587 HydrophobicContact CE-CG 3.81Å; M576-Y587 HydrophobicContact CG-CD1 4.33Å; M576-Y587 HydrophobicContact CG-CE1 4.29Å; M576-Y587 HydrophobicContact CG-CG 4.49Å; I577-Y587 PolarHBondContact N-OH 3.44Å; I577-Y587 PolarHBondContact O-OH 3Å; R583-Y587 HydrophobicContact CB-CE1 4.36Å; R583-Y587 HydrophobicContact CB-CE2 3.8Å; R583-Y587 PolarHBondContact NE-OH 2.83Å; R583-Y587 PolarHBondContact NH1-OH 3.38Å; R583-Y587 WeakPolarHBondContact O-CD2 3.44Å; R583-Y587 PolarHBondContact O-N 3.27Å; F584-Y587 HydrophobicContact CD1-CD2 4Å; F584-Y587 HydrophobicContact CD1-CE2 4.09Å; F584-Y587 PolarHBondContact O-N 2.68Å
588E95.9Very high89.8Confident0 Ų036.2 Ų36.20%020%0.198CC..THydrogen-bonded Turntrans-104.537.6177.3-67.1175.2-174.500112.3L485 R491 S493 S495 M512 R524 F584 L585 E586 L591L485-E588 HydrophobicContact CD1-CG 4.46Å; R491-E588 WeakPolarHBondContact CD-OE2 3.38Å; R491-E588 IonicContact CZ-OE1 2.92Å; R491-E588 IonicContact CZ-OE2 2.65Å; R491-E588 IonicContact NE-OE1 3.95Å; R491-E588 PolarHBondContact NE-OE1 3.46Å; R491-E588 VanDerWaalsContact NE-OE1 3.11Å; R491-E588 IonicContact NE-OE2 3.82Å; R491-E588 PolarHBondContact NE-OE2 3.21Å; R491-E588 IonicContact NH2-OE1 3.98Å; R491-E588 PolarHBondContact NH2-OE1 2.93Å; R491-E588 IonicContact NH2-OE2 3.78Å; S493-E588 PolarHBondContact OG-OE2 2.83Å; S495-E588 WeakPolarHBondContact CB-OE1 3.27Å; S495-E588 PolarHBondContact N-OE1 3.12Å; S495-E588 WeakPolarHBondContact OG-CG 3.45Å; S495-E588 PolarHBondContact OG-OE1 3.44Å; M512-E588 HydrophobicContact CE-CG 4.21Å; R524-E588 WeakPolarHBondContact CD-O 3.24Å; R524-E588 IonicContact CZ-OE2 2.67Å; R524-E588 VanDerWaalsContact NH1-CB 3.28Å; R524-E588 IonicContact NH1-OE2 3.36Å; R524-E588 PolarHBondContact NH1-OE2 3.46Å; F584-E588 WeakPolarHBondContact O-CB 3.18Å; F584-E588 WeakPolarHBondContact O-CG 3.3Å; F584-E588 PolarHBondContact O-N 3.49Å; L585-E588 CarbonylContact O-C 3.6Å; L585-E588 PolarHBondContact O-N 3.05Å; L585-E588 VanDerWaalsContact O-N 3.15Å; E586-E588 PolarHBondContact O-N 2.8Å; E588-L591 WeakPolarHBondContact O-CD1 3.29Å; E588-L591 WeakPolarHBondContact O-CG 3.46Å
589T95.3Very high90.4Very high54 Ų5433.5 Ų33.533%0.33118%0.183SC..  trans-109.8169.7172.857.70000112R567 L585 E586 L591R567-T589 VanDerWaalsContact CD-O 3.27Å; R567-T589 WeakPolarHBondContact CD-O 3.48Å; R567-T589 PolarHBondContact NE-O 3.49Å; R567-T589 VanDerWaalsContact NE-O 3.12Å; L585-T589 WeakPolarHBondContact O-CG2 3.42Å; E586-T589 PolarHBondContact O-N 2.78Å; E586-T589 PolarHBondContact O-OG1 2.87Å; T589-L591 VanDerWaalsContact C-N 3.28Å; T589-L591 PolarHBondContact O-N 3.37Å
590D97.3Very high91.1Very high53 Ų5326.4 Ų26.428%0.28315%0.146SC..SBendtrans58.342-178-163.146.4000112.2R524 N526 Y527R524-D590 PolarHBondContact O-N 3.32Å; N526-D590 PolarHBondContact ND2-OD1 3.39Å; Y527-D590 VanDerWaalsContact CE2-OD1 3.24Å; Y527-D590 WeakPolarHBondContact CE2-OD1 3.46Å
591L98.3Very high91.5Very high0 Ų023.9 Ų23.90%013%0.132CC..EExtended strand (participates in β ladder)trans-79.8158.4-175.8-54.9-178.8000111.4V514 V521 R524 C525 N526 Y527 A565 R567 E588 T589V514-L591 HydrophobicContact CB-CD1 4.37Å; V514-L591 HydrophobicContact CG1-CD1 4.22Å; V514-L591 HydrophobicContact CG2-CD1 4.15Å; V514-L591 HydrophobicContact CG2-CD2 3.83Å; V521-L591 HydrophobicContact CG1-CD1 4.37Å; R524-L591 HydrophobicContact CB-CD1 4.06Å; R524-L591 HydrophobicContact CB-CG 4.41Å; R524-L591 PolarHBondContact O-N 3.23Å; C525-L591 CarbonylContact C-O 3.59Å; C525-L591 VanDerWaalsContact CA-O 3.25Å; C525-L591 WeakPolarHBondContact CA-O 3.48Å; C525-L591 HydrophobicContact CB-CB 4.38Å; N526-L591 PolarHBondContact N-O 3.33Å; Y527-L591 PolarHBondContact N-O 3.47Å; Y527-L591 VanDerWaalsContact N-O 3.14Å; A565-L591 HydrophobicContact CB-CB 4.16Å; A565-L591 HydrophobicContact CB-CD1 4.21Å; R567-L591 HydrophobicContact CB-CD2 3.75Å; R567-L591 HydrophobicContact CG-CD2 4.21Å; E588-L591 WeakPolarHBondContact O-CD1 3.29Å; E588-L591 WeakPolarHBondContact O-CG 3.46Å; T589-L591 VanDerWaalsContact C-N 3.28Å; T589-L591 PolarHBondContact O-N 3.37Å
592T98.4Very high92Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-109.8116.2167.6-56.20000108.4Y527 R529 R534 A565 T566 D568Y527-T592 WeakPolarHBondContact O-CA 3.22Å; R529-T592 HydrophobicContact CB-CG2 3.99Å; R534-T592 HydrophobicContact CG-CG2 4.05Å; A565-T592 CarbonylContact C-O 3.33Å; A565-T592 VanDerWaalsContact CA-O 3.24Å; A565-T592 WeakPolarHBondContact CA-O 3.42Å; A565-T592 WeakPolarHBondContact CB-O 3.42Å; T566-T592 PolarHBondContact N-O 2.87Å; T566-T592 PolarHBondContact O-N 2.89Å; D568-T592 PolarHBondContact OD2-OG1 3.38Å
593F98.6Very high92.4Very high0 Ų020.6 Ų20.60%010%0.104CC..EExtended strand (participates in β ladder)trans-65.8132175.5176.5-93.4000110.4F367 I369 I522 C525 Y527 V528 R529 I545 A563 V596F367-F593 HydrophobicContact CE2-CE1 4.26Å; F367-F593 AromaticContact CE2-CZ 3.94Å; F367-F593 HydrophobicContact CE2-CZ 3.94Å; F367-F593 HydrophobicContact CZ-CZ 4.37Å; I369-F593 HydrophobicContact CD1-CD1 4.29Å; I369-F593 HydrophobicContact CD1-CE1 3.85Å; I369-F593 HydrophobicContact CG1-CD1 4.08Å; I369-F593 HydrophobicContact CG1-CE1 4Å; I522-F593 HydrophobicContact CD1-CE2 4.21Å; I522-F593 HydrophobicContact CG1-CD2 3.96Å; I522-F593 HydrophobicContact CG1-CE2 4.04Å; C525-F593 HydrophobicContact CB-CB 4.25Å; Y527-F593 PolarHBondContact O-N 3.5Å; V528-F593 HydrophobicContact CG1-CD1 4.46Å; V528-F593 HydrophobicContact CG2-CB 4.44Å; R529-F593 WeakPolarHBondContact CB-O 3.42Å; R529-F593 PolarHBondContact N-O 2.99Å; I545-F593 HydrophobicContact CD1-CD1 3.91Å; I545-F593 HydrophobicContact CD1-CE1 3.81Å; I545-F593 HydrophobicContact CD1-CG 4.42Å; I545-F593 HydrophobicContact CD1-CZ 4.23Å; I545-F593 HydrophobicContact CG1-CE1 4.31Å; I545-F593 HydrophobicContact CG1-CZ 4.5Å; I545-F593 HydrophobicContact CG2-CE1 4.35Å; I545-F593 HydrophobicContact CG2-CE2 4.02Å; I545-F593 HydrophobicContact CG2-CZ 3.74Å; A563-F593 HydrophobicContact CB-CE2 4.29Å; F593-V596 HydrophobicContact CE2-CG2 3.92Å; F593-V596 HydrophobicContact CZ-CG2 3.82Å
594V98.3Very high92.3Very high1 Ų119.5 Ų19.51%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-109.3-47.7-179.2177.50000111.2E412 L413 I416 R529 L564 T566E412-V594 HydrophobicContact CB-CG1 4.05Å; E412-V594 HydrophobicContact CG-CG1 4.09Å; E412-V594 HydrophobicContact CG-CG2 4.14Å; L413-V594 HydrophobicContact CB-CG1 4.38Å; I416-V594 HydrophobicContact CD1-CB 3.91Å; I416-V594 HydrophobicContact CD1-CG1 4.14Å; I416-V594 HydrophobicContact CD1-CG2 3.81Å; R529-V594 HydrophobicContact CB-CG2 4.37Å; L564-V594 PolarHBondContact O-N 3.29Å; T566-V594 HydrophobicContact CG2-CG2 4.13Å
595G97.9Very high92.1Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans177.6-174.8-178.800000113.6F367 L564F367-G595 CarbonylContact O-C 3.56Å; F367-G595 WeakPolarHBondContact O-CA 3.4Å; L564-G595 PolarHBondContact N-O 3.48Å; L564-G595 PolarHBondContact O-N 3.12Å
596V98.3Very high92Very high0 Ų028.1 Ų28.10%014%0.136CC..EExtended strand (participates in β ladder)trans-130.8144.8178.3168.50000109.7M366 F367 I549 W552 C561 L562 A563 F593M366-V596 CarbonylContact C-O 3.4Å; M366-V596 WeakPolarHBondContact CA-O 3.23Å; M366-V596 WeakPolarHBondContact CB-O 3.47Å; F367-V596 HydrophobicContact CD1-CB 3.9Å; F367-V596 HydrophobicContact CD1-CG1 4.36Å; F367-V596 HydrophobicContact CE1-CB 3.45Å; F367-V596 VanDerWaalsContact CE1-CB 3.45Å; F367-V596 HydrophobicContact CE1-CG1 3.86Å; F367-V596 HydrophobicContact CE1-CG2 3.82Å; F367-V596 HydrophobicContact CE2-CB 4.3Å; F367-V596 HydrophobicContact CE2-CG2 4.22Å; F367-V596 HydrophobicContact CG-CB 4.49Å; F367-V596 HydrophobicContact CZ-CB 3.67Å; F367-V596 HydrophobicContact CZ-CG1 4.44Å; F367-V596 HydrophobicContact CZ-CG2 3.55Å; F367-V596 PolarHBondContact N-O 3.49Å; F367-V596 PolarHBondContact O-N 3.11Å; I549-V596 HydrophobicContact CD1-CG2 4.01Å; I549-V596 HydrophobicContact CG1-CG1 4.29Å; I549-V596 HydrophobicContact CG1-CG2 4.06Å; W552-V596 HydrophobicContact CE3-CG1 4.44Å; W552-V596 HydrophobicContact CZ3-CG1 4.23Å; C561-V596 HydrophobicContact CB-CG1 4.18Å; L562-V596 VanDerWaalsContact O-CA 3.31Å; L562-V596 WeakPolarHBondContact O-CA 3.31Å; A563-V596 HydrophobicContact CB-CG2 4.29Å; F593-V596 HydrophobicContact CE2-CG2 3.92Å; F593-V596 HydrophobicContact CZ-CG2 3.82Å
597V97.9Very high91.9Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-117.4136.1168.2-650000109.3V363 M366 L413 L445 L448 C561 L562 L564 M599V363-V597 HydrophobicContact CG1-CB 4.03Å; V363-V597 HydrophobicContact CG1-CG1 4.42Å; M366-V597 HydrophobicContact CB-CG1 3.95Å; L413-V597 HydrophobicContact CD1-CG1 4.41Å; L413-V597 HydrophobicContact CD2-CG1 3.93Å; L445-V597 HydrophobicContact CD2-CG2 3.73Å; L448-V597 HydrophobicContact CD2-CG1 3.77Å; C561-V597 CarbonylContact C-O 3.58Å; C561-V597 WeakPolarHBondContact CA-O 3.26Å; L562-V597 HydrophobicContact CB-CG2 3.91Å; L562-V597 PolarHBondContact N-O 3.48Å; L562-V597 PolarHBondContact O-N 2.87Å; L564-V597 HydrophobicContact CD1-CG1 3.88Å; L564-V597 HydrophobicContact CD1-CG2 4.26Å; V597-M599 HydrophobicContact CG2-CE 4.33Å
598G95.3Very high91.6Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-114.2118.7175.300000109.9C364 K365C364-G598 PolarHBondContact N-O 3.37Å; K365-G598 PolarHBondContact N-O 3.2Å; K365-G598 PolarHBondContact O-N 3.16Å
599M91.8Very high91.5Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-117.1151.1-179.663.2-171.770.100111.9M361 S362 V363 T441 A444 L445 L559 R560 L562 V597M361-M599 HydrophobicContact CG-CB 4.17Å; M361-M599 HydrophobicContact CG-CG 3.93Å; M361-M599 HydrophobicContact CG-SD 3.58Å; M361-M599 VanDerWaalsContact CG-SD 3.58Å; M361-M599 HydrophobicContact SD-CB 4.02Å; M361-M599 HydrophobicContact SD-CG 3.65Å; M361-M599 HydrophobicContact SD-SD 4.01Å; S362-M599 CarbonylContact O-C 3.5Å; S362-M599 WeakPolarHBondContact O-CA 3.4Å; S362-M599 WeakPolarHBondContact O-CB 3.16Å; V363-M599 HydrophobicContact CG2-CB 4.12Å; V363-M599 HydrophobicContact CG2-CE 4.19Å; T441-M599 HydrophobicContact CG2-CE 4.1Å; T441-M599 HydrophobicContact CG2-SD 3.68Å; A444-M599 HydrophobicContact CB-CE 4.49Å; A444-M599 HydrophobicContact CB-SD 4.23Å; L445-M599 HydrophobicContact CD2-CE 3.71Å; L445-M599 HydrophobicContact CG-CE 4.35Å; L559-M599 CarbonylContact C-O 3.54Å; L559-M599 WeakPolarHBondContact CA-O 3.46Å; R560-M599 HydrophobicContact CB-CG 3.9Å; R560-M599 HydrophobicContact CG-CG 4.31Å; R560-M599 PolarHBondContact N-O 3.2Å; R560-M599 WeakPolarHBondContact O-CG 3.37Å; R560-M599 PolarHBondContact O-N 3.32Å; L562-M599 HydrophobicContact CD1-CE 3.8Å; L562-M599 HydrophobicContact CG-CE 4.46Å; V597-M599 HydrophobicContact CG2-CE 4.33Å
600L87Confident91.4Very high10 Ų1027.4 Ų27.45%0.05214%0.143CC..EExtended strand (participates in β ladder)trans-140.8154.8177.7139.7143.4000109.3S362 L559 P602S362-L600 PolarHBondContact N-O 2.98Å; S362-L600 PolarHBondContact O-N 3.13Å; L559-L600 HydrophobicContact CD2-CB 3.55Å; L600-P602 HydrophobicContact CD2-CB 3.71Å; L600-P602 VanDerWaalsContact O-CD 3.28Å; L600-P602 WeakPolarHBondContact O-CD 3.35Å
601D82.5Confident91.3Very high16 Ų1625.1 Ų25.19%0.08613%0.131CC..  trans-85.9101.6163.2-179.715.8000109K352 T357 N359 Q360 M361K352-D601 IonicContact NZ-OD2 3.16Å; T357-D601 WeakPolarHBondContact CB-OD1 3.38Å; T357-D601 PolarHBondContact OG1-OD2 3.48Å; N359-D601 VanDerWaalsContact CA-OD1 3.23Å; N359-D601 WeakPolarHBondContact CA-OD1 3.48Å; N359-D601 PolarHBondContact N-OD1 3.47Å; Q360-D601 PolarHBondContact N-OD1 2.69Å; M361-D601 HydrophobicContact CE-CB 4.45Å
602P81.8Confident91.1Very high12 Ų1229 Ų298%0.07815%0.148CC..PPolyproline II helixtrans-75.1144.1-167.228.4-31.8000112.5T357 T358 Q360 S387 L600T357-P602 VanDerWaalsContact CA-O 3.3Å; T357-P602 WeakPolarHBondContact CA-O 3.43Å; T357-P602 WeakPolarHBondContact CB-O 3.39Å; T358-P602 PolarHBondContact N-O 2.98Å; Q360-P602 VanDerWaalsContact O-CD 3.23Å; Q360-P602 WeakPolarHBondContact O-CD 3.48Å; S387-P602 VanDerWaalsContact CB-CG 3.47Å; S387-P602 WeakPolarHBondContact O-CG 3.31Å; L600-P602 HydrophobicContact CD2-CB 3.71Å; L600-P602 VanDerWaalsContact O-CD 3.28Å; L600-P602 WeakPolarHBondContact O-CD 3.35Å
603P83.4Confident90.9Very high22 Ų2232.8 Ų32.814%0.14317%0.168CC..BIsolated β-bridgetrans-58149.9167.8-22.733.3000112L356 I639L356-P603 WeakPolarHBondContact O-CA 3.44Å; P603-I639 HydrophobicContact CB-CG2 3.58Å; P603-I639 HydrophobicContact CG-CG2 3.6Å
604R81.9Confident90.8Very high48 Ų4832.8 Ų32.818%0.18117%0.169CC..PPolyproline II helixtrans-68.1150.7169.2-58.9177.9-179.2-94.51.9109.9G354 T355 L356 T357 T358 E606 V607 D738G354-R604 PolarHBondContact O-NH2 3.44Å; T355-R604 WeakPolarHBondContact O-CD 3.45Å; T355-R604 PolarHBondContact O-NE 3.47Å; T355-R604 VanDerWaalsContact O-NE 3.14Å; L356-R604 PolarHBondContact O-N 3.01Å; T357-R604 PolarHBondContact O-NE 3.18Å; T358-R604 HydrophobicContact CG2-CG 4.03Å; R604-E606 VanDerWaalsContact C-N 3.28Å; R604-E606 PolarHBondContact O-N 2.92Å; R604-V607 HydrophobicContact CB-CG2 3.76Å; R604-V607 PolarHBondContact O-N 2.79Å; R604-D738 PolarHBondContact NE-O 3.15Å; R604-D738 VanDerWaalsContact NE-O 3.09Å; R604-D738 PolarHBondContact NH2-O 2.7Å
605K81.6Confident90.6Very high170 Ų17038.6 Ų38.674%0.73919%0.19SC*.THydrogen-bonded Turntrans-67.6-33.3-172.8-65.5179.8-177.5175.60111.8
606E85.4Confident90.4Very high87 Ų8742.2 Ų42.241%0.40721%0.21SC..THydrogen-bonded Turntrans-80.7-20.8-173.2-52.274.2-15900112.5R604 M608 G609 S610R604-E606 VanDerWaalsContact C-N 3.28Å; R604-E606 PolarHBondContact O-N 2.92Å; E606-M608 VanDerWaalsContact C-N 3.33Å; E606-M608 PolarHBondContact O-N 2.97Å; E606-G609 PolarHBondContact O-N 3.28Å; E606-S610 WeakPolarHBondContact O-CB 3.32Å; E606-S610 PolarHBondContact O-N 3.21Å; E606-S610 PolarHBondContact O-OG 3.39Å
607V89.1Confident90.1Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-60.7-39.8-174.5166.50000111.8L356 R604 G609 S610 I611 I639 F740L356-V607 HydrophobicContact CD2-CG1 3.82Å; L356-V607 HydrophobicContact CD2-CG2 4.45Å; R604-V607 HydrophobicContact CB-CG2 3.76Å; R604-V607 PolarHBondContact O-N 2.79Å; V607-G609 PolarHBondContact O-N 3.49Å; V607-S610 PolarHBondContact O-N 3.32Å; V607-I611 HydrophobicContact CG1-CD1 3.57Å; V607-I611 HydrophobicContact CG1-CG1 4.25Å; V607-I611 WeakPolarHBondContact O-CG1 3.12Å; V607-I611 PolarHBondContact O-N 2.92Å; V607-I639 HydrophobicContact CG1-CB 4.11Å; V607-I639 HydrophobicContact CG1-CD1 4.3Å; V607-I639 HydrophobicContact CG1-CG2 4.32Å; V607-F740 HydrophobicContact CG2-CB 3.89Å
608M88.7Confident90Very high106 Ų10644.2 Ų44.252%0.52223%0.231SC..Hα-helixtrans-61.3-47.2179.5-71.6-168.8-63.600112.5E606 S610 I611 Q612E606-M608 VanDerWaalsContact C-N 3.33Å; E606-M608 PolarHBondContact O-N 2.97Å; M608-S610 VanDerWaalsContact C-N 3.31Å; M608-S610 PolarHBondContact O-N 2.92Å; M608-I611 PolarHBondContact O-N 3.09Å; M608-Q612 PolarHBondContact O-N 2.85Å
609G92.9Very high90.1Very high44 Ų4444.6 Ų44.645%0.45423%0.233SC..Hα-helixtrans-65.7-37.3177.200000111.9E606 V607 Q612 L613E606-G609 PolarHBondContact O-N 3.28Å; V607-G609 PolarHBondContact O-N 3.49Å; G609-Q612 PolarHBondContact O-N 3.25Å; G609-L613 PolarHBondContact O-N 3.28Å
610S94Very high90.4Very high7 Ų747 Ų475%0.04924%0.242CC..Hα-helixtrans-66.3-41178.8-54.70000112.4E606 V607 M608 Q612 L613 C614 S741E606-S610 WeakPolarHBondContact O-CB 3.32Å; E606-S610 PolarHBondContact O-N 3.21Å; E606-S610 PolarHBondContact O-OG 3.39Å; V607-S610 PolarHBondContact O-N 3.32Å; M608-S610 VanDerWaalsContact C-N 3.31Å; M608-S610 PolarHBondContact O-N 2.92Å; S610-Q612 VanDerWaalsContact C-N 3.29Å; S610-Q612 PolarHBondContact O-N 2.81Å; S610-L613 PolarHBondContact O-N 2.92Å; S610-C614 PolarHBondContact O-N 3.49Å; S610-C614 PolarHBondContact O-SG 3.03Å; S610-C614 VanDerWaalsContact O-SG 3.33Å; S610-S741 VanDerWaalsContact OG-CA 3.25Å; S610-S741 WeakPolarHBondContact OG-CA 3.47Å; S610-S741 WeakPolarHBondContact OG-CB 3.3Å
611I94.3Very high90.9Very high5 Ų547 Ų473%0.02624%0.242CC..Hα-helixtrans-64.9-35.7175.4-71.7168.8000111V607 M608 C614 R615 I639 I641 F740V607-I611 HydrophobicContact CG1-CD1 3.57Å; V607-I611 HydrophobicContact CG1-CG1 4.25Å; V607-I611 WeakPolarHBondContact O-CG1 3.12Å; V607-I611 PolarHBondContact O-N 2.92Å; M608-I611 PolarHBondContact O-N 3.09Å; I611-C614 PolarHBondContact O-N 3.46Å; I611-R615 PolarHBondContact O-N 2.93Å; I611-I639 HydrophobicContact CD1-CB 3.89Å; I611-I639 HydrophobicContact CD1-CD1 3.65Å; I611-I639 HydrophobicContact CD1-CG1 3.6Å; I611-I639 WeakPolarHBondContact CD1-O 3.4Å; I611-I641 HydrophobicContact CD1-CG1 3.93Å; I611-I641 HydrophobicContact CG2-CG1 4.42Å; I611-F740 HydrophobicContact CG1-CE1 4.21Å
612Q94.1Very high91.6Very high80 Ų8046.3 Ų46.337%0.37424%0.238SC..Hα-helixtrans-66-45.6174.3-17356.939.800111.5M608 G609 S610 C614 R615 D616M608-Q612 PolarHBondContact O-N 2.85Å; G609-Q612 PolarHBondContact O-N 3.25Å; S610-Q612 VanDerWaalsContact C-N 3.29Å; S610-Q612 PolarHBondContact O-N 2.81Å; Q612-C614 VanDerWaalsContact C-N 3.3Å; Q612-C614 PolarHBondContact O-N 3.19Å; Q612-R615 WeakPolarHBondContact O-CA 3.31Å; Q612-R615 WeakPolarHBondContact O-CB 3.36Å; Q612-R615 PolarHBondContact O-N 3.37Å; Q612-D616 PolarHBondContact NE2-OD1 3.05Å; Q612-D616 VanDerWaalsContact O-CG 3.25Å; Q612-D616 PolarHBondContact O-N 2.98Å
613L93.9Very high92.2Very high80 Ų8045.7 Ų45.742%0.41924%0.235SC..Hα-helixtrans-58.9-39.7173.9-73.5171.6000112.5G609 S610 R615 D616 A617 V744G609-L613 PolarHBondContact O-N 3.28Å; S610-L613 PolarHBondContact O-N 2.92Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.43Å; L613-D616 PolarHBondContact O-N 3.23Å; L613-A617 VanDerWaalsContact O-CB 3.25Å; L613-A617 WeakPolarHBondContact O-CB 3.35Å; L613-A617 PolarHBondContact O-N 3.28Å; L613-V744 HydrophobicContact CB-CG1 3.92Å; L613-V744 HydrophobicContact CD1-CG1 4.15Å
614C95.9Very high92.6Very high1 Ų144.7 Ų44.71%0.00723%0.228CC..Hα-helixtrans-58.9-44.1172.4-700000111.4S610 I611 Q612 A617 G618 I619 V621S610-C614 PolarHBondContact O-N 3.49Å; S610-C614 PolarHBondContact O-SG 3.03Å; S610-C614 VanDerWaalsContact O-SG 3.33Å; I611-C614 PolarHBondContact O-N 3.46Å; Q612-C614 VanDerWaalsContact C-N 3.3Å; Q612-C614 PolarHBondContact O-N 3.19Å; C614-A617 CarbonylContact O-C 3.47Å; C614-A617 PolarHBondContact O-N 3.32Å; C614-G618 PolarHBondContact O-N 3.41Å; C614-I619 CarbonylContact C-O 3.49Å; C614-I619 HydrophobicContact CB-CB 4.08Å; C614-I619 WeakPolarHBondContact O-CA 3.34Å; C614-I619 WeakPolarHBondContact O-CB 3.43Å; C614-I619 PolarHBondContact O-N 2.91Å; C614-V621 HydrophobicContact CB-CG2 3.82Å
615R94.3Very high92.7Very high122 Ų12242.5 Ų42.546%0.4622%0.22SC..Hα-helixtrans-63.1-44.4178.5-179.1179.3-72132.3-0.7111.9I611 Q612 L613 A617 G618 G640I611-R615 PolarHBondContact O-N 2.93Å; Q612-R615 WeakPolarHBondContact O-CA 3.31Å; Q612-R615 WeakPolarHBondContact O-CB 3.36Å; Q612-R615 PolarHBondContact O-N 3.37Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.43Å; R615-A617 VanDerWaalsContact C-N 3.29Å; R615-A617 PolarHBondContact O-N 2.87Å; R615-G618 PolarHBondContact O-N 3.3Å; R615-G640 PolarHBondContact NH1-O 3.36Å; R615-G640 PolarHBondContact NH2-O 3.35Å
616D93.6Very high92.4Very high76 Ų7635.6 Ų35.641%0.40620%0.197SC..Hα-helixtrans-63.2-39.1178.3-58.7-24.1000110.6Q612 L613 G618 M817Q612-D616 PolarHBondContact NE2-OD1 3.05Å; Q612-D616 VanDerWaalsContact O-CG 3.25Å; Q612-D616 PolarHBondContact O-N 2.98Å; L613-D616 PolarHBondContact O-N 3.23Å; D616-G618 PolarHBondContact O-N 3.44Å; D616-M817 CarbonylContact C-O 3.43Å
617A93.4Very high91.8Very high0 Ų033.4 Ų33.40%019%0.188CC..THydrogen-bonded Turntrans-78.75.1176.500000115.1L613 C614 R615 I619 R751 M817 R819 P821L613-A617 VanDerWaalsContact O-CB 3.25Å; L613-A617 WeakPolarHBondContact O-CB 3.35Å; L613-A617 PolarHBondContact O-N 3.28Å; C614-A617 CarbonylContact O-C 3.47Å; C614-A617 PolarHBondContact O-N 3.32Å; R615-A617 VanDerWaalsContact C-N 3.29Å; R615-A617 PolarHBondContact O-N 2.87Å; A617-I619 VanDerWaalsContact C-N 3.31Å; A617-I619 HydrophobicContact CB-CD1 4.07Å; A617-I619 HydrophobicContact CB-CG1 4.15Å; A617-I619 PolarHBondContact O-N 2.79Å; A617-R751 PolarHBondContact O-NH2 2.88Å; A617-M817 WeakPolarHBondContact CA-O 3.19Å; A617-M817 HydrophobicContact CB-CE 3.77Å; A617-M817 VanDerWaalsContact CB-O 3.26Å; A617-M817 WeakPolarHBondContact CB-O 3.36Å; A617-M817 HydrophobicContact CB-SD 4.37Å; A617-M817 PolarHBondContact N-O 2.97Å; A617-R819 CarbonylContact C-O 3.49Å; A617-R819 VanDerWaalsContact O-O 3.07Å; A617-P821 WeakPolarHBondContact O-CD 3.49Å
618G95.7Very high91.1Very high43 Ų4336.9 Ų36.944%0.44321%0.207SC..THydrogen-bonded Turntrans69.519.8-17900000115.4C614 R615 D616 P821C614-G618 PolarHBondContact O-N 3.41Å; R615-G618 PolarHBondContact O-N 3.3Å; D616-G618 PolarHBondContact O-N 3.44Å; G618-P821 WeakPolarHBondContact O-CD 3.26Å
619I97.4Very high90.8Very high8 Ų834.1 Ų34.14%0.04119%0.192CC..PPolyproline II helixtrans-95.5125.7-179.6-53.7173000109.9S346 I348 C614 A617 V747 P821S346-I619 WeakPolarHBondContact O-CA 3.49Å; I348-I619 HydrophobicContact CD1-CG2 3.83Å; I348-I619 HydrophobicContact CG1-CG2 3.8Å; C614-I619 CarbonylContact C-O 3.49Å; C614-I619 HydrophobicContact CB-CB 4.08Å; C614-I619 WeakPolarHBondContact O-CA 3.34Å; C614-I619 WeakPolarHBondContact O-CB 3.43Å; C614-I619 PolarHBondContact O-N 2.91Å; A617-I619 VanDerWaalsContact C-N 3.31Å; A617-I619 HydrophobicContact CB-CD1 4.07Å; A617-I619 HydrophobicContact CB-CG1 4.15Å; A617-I619 PolarHBondContact O-N 2.79Å; I619-V747 HydrophobicContact CD1-CG1 3.72Å; I619-P821 HydrophobicContact CG1-CG 4.04Å
620R97.4Very high90.3Very high50 Ų5034.2 Ų34.219%0.18919%0.193CC..EExtended strand (participates in β ladder)trans-86.2131.9178.2-175.7169.459.5120.4-7.3111.2S346 V347 I348 I622 C670 R671 A673S346-R620 PolarHBondContact O-N 3.03Å; V347-R620 CarbonylContact C-O 3.52Å; V347-R620 VanDerWaalsContact CA-O 3.31Å; V347-R620 WeakPolarHBondContact CA-O 3.22Å; V347-R620 HydrophobicContact CG2-CB 4.4Å; I348-R620 PolarHBondContact N-O 3.03Å; R620-I622 HydrophobicContact CG-CG1 4.5Å; R620-C670 PolarHBondContact NH1-O 2.88Å; R620-C670 PolarHBondContact NH2-O 2.85Å; R620-C670 VanDerWaalsContact NH2-O 3.07Å; R620-R671 PolarHBondContact NH1-O 2.79Å; R620-R671 VanDerWaalsContact NH1-O 3.1Å; R620-A673 PolarHBondContact NH1-O 3.08Å
621V97.3Very high89.5Confident11 Ų1135 Ų357%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-103.8129.2175.1-174.60000110.2I348 C614 I641 F740I348-V621 CarbonylContact O-C 3.5Å; I348-V621 WeakPolarHBondContact O-CA 3.37Å; C614-V621 HydrophobicContact CB-CG2 3.82Å; V621-I641 HydrophobicContact CG1-CD1 4Å; V621-I641 HydrophobicContact CG1-CG1 4.38Å; V621-F740 HydrophobicContact CG1-CE2 4.5Å; V621-F740 HydrophobicContact CG1-CZ 4.15Å; V621-F740 HydrophobicContact CG2-CZ 4.2Å
622I97.6Very high89Confident0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-118.1119.1176.5-54.2-177.5000108.4V347 I348 C349 S350 R620 I624 C674 F676 L691V347-I622 HydrophobicContact CG1-CD1 3.65Å; V347-I622 HydrophobicContact CG1-CG1 3.93Å; I348-I622 PolarHBondContact O-N 2.7Å; C349-I622 CarbonylContact C-O 3.56Å; C349-I622 WeakPolarHBondContact CA-O 3.46Å; S350-I622 PolarHBondContact N-O 2.99Å; R620-I622 HydrophobicContact CG-CG1 4.5Å; I622-I624 HydrophobicContact CG2-CG1 4.36Å; I622-C674 WeakPolarHBondContact CA-O 3.49Å; I622-F676 HydrophobicContact CG2-CD2 3.69Å; I622-F676 HydrophobicContact CG2-CE2 3.86Å; I622-L691 HydrophobicContact CD1-CD1 4.2Å; I622-L691 HydrophobicContact CD1-CD2 4.38Å
623M94.9Very high88.8Confident0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-81.6133.3171.1-176.9-173.5-67.900110.3S350 K352 L356 I635 C636 I639 I641 C674 C675 F676S350-M623 WeakPolarHBondContact O-CA 3.48Å; K352-M623 HydrophobicContact CB-CG 4.07Å; K352-M623 HydrophobicContact CB-SD 4.02Å; K352-M623 HydrophobicContact CG-CE 4.35Å; K352-M623 HydrophobicContact CG-SD 3.99Å; L356-M623 HydrophobicContact CD1-CB 4.33Å; L356-M623 HydrophobicContact CD1-CE 3.66Å; L356-M623 HydrophobicContact CD1-CG 4Å; M623-I635 HydrophobicContact CE-CB 4.2Å; M623-I635 HydrophobicContact CE-CG2 3.63Å; M623-I635 HydrophobicContact SD-CG2 4.46Å; M623-C636 VanDerWaalsContact CE-SG 3.56Å; M623-I639 HydrophobicContact CE-CD1 3.4Å; M623-I639 HydrophobicContact CE-CG1 4.43Å; M623-I641 HydrophobicContact CB-CD1 3.9Å; M623-I641 HydrophobicContact CE-CD1 4.23Å; M623-C674 PolarHBondContact N-O 3.16Å; M623-C675 CarbonylContact O-C 3.51Å; M623-C675 VanDerWaalsContact O-CA 3.32Å; M623-C675 WeakPolarHBondContact O-CA 3.46Å; M623-F676 PolarHBondContact O-N 3.24Å
624I91.6Very high88.3Confident0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-120.8130.6171.8-56.6-179.6000107.9C349 S350 D351 K352 I622 F676 V679 K684 I687 M700C349-I624 HydrophobicContact CB-CD1 3.97Å; S350-I624 PolarHBondContact O-N 3.01Å; D351-I624 WeakPolarHBondContact CA-O 3.49Å; K352-I624 PolarHBondContact N-O 3.01Å; I622-I624 HydrophobicContact CG2-CG1 4.36Å; I624-F676 CarbonylContact C-O 3.58Å; I624-F676 WeakPolarHBondContact CA-O 3.21Å; I624-V679 HydrophobicContact CG2-CB 3.93Å; I624-V679 HydrophobicContact CG2-CG1 3.86Å; I624-V679 HydrophobicContact CG2-CG2 3.92Å; I624-K684 HydrophobicContact CG2-CD 4.39Å; I624-K684 HydrophobicContact CG2-CG 4.06Å; I624-I687 HydrophobicContact CD1-CD1 4.2Å; I624-M700 HydrophobicContact CD1-CE 4.08Å; I624-M700 HydrophobicContact CD1-SD 4.07Å
625T83.9Confident87.8Confident3 Ų329.4 Ų29.42%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-151.5152-175.6-170.90000113.9D627 A632 F676 A677 R678T625-D627 VanDerWaalsContact C-N 3.3Å; T625-D627 HydrophobicContact CG2-CB 4Å; T625-D627 PolarHBondContact OG1-N 3.2Å; T625-A632 HydrophobicContact CG2-CB 3.54Å; T625-F676 PolarHBondContact N-O 2.68Å; T625-A677 HydrophobicContact CG2-CB 4.35Å; T625-A677 CarbonylContact O-C 3.52Å; T625-A677 VanDerWaalsContact O-CA 3.32Å; T625-A677 WeakPolarHBondContact O-CA 3.26Å; T625-R678 PolarHBondContact O-N 3.28Å
626G74.1Confident87.7Confident25 Ų2523.6 Ų23.626%0.25815%0.15SC..SBendtrans-75.4-14.9167.700000114.1
627D73.4Confident87.5Confident40 Ų4023.1 Ų23.121%0.21414%0.143CC..SBendtrans-61.6163.1-180-78.7-17.3000112.1K352 T625 T631 A677 R678K352-D627 WeakPolarHBondContact CD-OD2 3.34Å; K352-D627 WeakPolarHBondContact CE-OD2 3.41Å; K352-D627 IonicContact NZ-OD1 3.14Å; K352-D627 IonicContact NZ-OD2 3.51Å; K352-D627 PolarHBondContact NZ-OD2 2.79Å; T625-D627 VanDerWaalsContact C-N 3.3Å; T625-D627 HydrophobicContact CG2-CB 4Å; T625-D627 PolarHBondContact OG1-N 3.2Å; D627-T631 HydrophobicContact CB-CG2 4.42Å; D627-A677 WeakPolarHBondContact O-CB 3.28Å; D627-R678 WeakPolarHBondContact O-CG 3.38Å; D627-R678 PolarHBondContact O-N 3.12Å
628N73.6Confident87.2Confident74 Ų7429 Ų2940%0.39617%0.165SC..  trans-66.5154.5172.374.668.7000111.2G630 T631 A632N628-G630 VanDerWaalsContact C-N 3.3Å; N628-G630 PolarHBondContact O-N 3.02Å; N628-G630 PolarHBondContact OD1-N 2.97Å; N628-T631 PolarHBondContact ND2-OG1 3.01Å; N628-T631 PolarHBondContact O-N 3.29Å; N628-T631 PolarHBondContact OD1-N 2.98Å; N628-T631 PolarHBondContact OD1-OG1 3.5Å; N628-A632 PolarHBondContact O-N 3.31Å
629K83.4Confident86.9Confident47 Ų4727 Ų2720%0.20414%0.144CC..Hα-helixtrans-55.4-39.7-176.7-173.6174.1-179.5168.20113.8A632 I633 A652 T654 E657 A677K629-A632 PolarHBondContact O-N 3.15Å; K629-I633 HydrophobicContact CG-CD1 3.84Å; K629-I633 HydrophobicContact CG-CG1 4.5Å; K629-I633 VanDerWaalsContact O-CG1 3.29Å; K629-I633 WeakPolarHBondContact O-CG1 3.46Å; K629-I633 PolarHBondContact O-N 2.83Å; K629-A652 WeakPolarHBondContact CE-O 3.47Å; K629-A652 PolarHBondContact NZ-O 3.3Å; K629-T654 HydrophobicContact CB-CG2 3.85Å; K629-T654 HydrophobicContact CD-CG2 4.05Å; K629-T654 HydrophobicContact CG-CG2 4.41Å; K629-E657 IonicContact NZ-OE1 2.78Å; K629-E657 PolarHBondContact NZ-OE1 2.68Å; K629-E657 IonicContact NZ-OE2 3.51Å; K629-E657 PolarHBondContact NZ-OE2 3Å; K629-A677 HydrophobicContact CB-CB 4.19Å
630G81.8Confident86.6Confident47 Ų4727.8 Ų27.849%0.48516%0.155SC..Hα-helixtrans-64.8-47.6-179.100000112.4N628 A634N628-G630 VanDerWaalsContact C-N 3.3Å; N628-G630 PolarHBondContact O-N 3.02Å; N628-G630 PolarHBondContact OD1-N 2.97Å; G630-A634 PolarHBondContact O-N 3.44Å; G630-A634 VanDerWaalsContact O-N 3.15Å
631T77.4Confident86.5Confident23 Ų2325.9 Ų25.914%0.14115%0.148CC..Hα-helixtrans-62-45.7174.8-58.50000111.4D627 N628 I633 A634 I635D627-T631 HydrophobicContact CB-CG2 4.42Å; N628-T631 PolarHBondContact ND2-OG1 3.01Å; N628-T631 PolarHBondContact O-N 3.29Å; N628-T631 PolarHBondContact OD1-N 2.98Å; N628-T631 PolarHBondContact OD1-OG1 3.5Å; T631-I633 PolarHBondContact O-N 3.05Å; T631-A634 PolarHBondContact O-N 3.36Å; T631-I635 HydrophobicContact CG2-CD1 3.99Å; T631-I635 HydrophobicContact CG2-CG1 4.46Å; T631-I635 WeakPolarHBondContact O-CG1 3.43Å; T631-I635 PolarHBondContact O-N 3.1Å
632A84.8Confident86.4Confident0 Ų025.5 Ų25.50%015%0.146CC..Hα-helixtrans-58.8-45.9179.700000112.4T625 N628 K629 A634 I635 C636 C675 A677T625-A632 HydrophobicContact CG2-CB 3.54Å; N628-A632 PolarHBondContact O-N 3.31Å; K629-A632 PolarHBondContact O-N 3.15Å; A632-A634 PolarHBondContact O-N 3.29Å; A632-I635 PolarHBondContact O-N 3.1Å; A632-C636 PolarHBondContact O-N 3.37Å; A632-C636 PolarHBondContact O-SG 2.89Å; A632-C675 VanDerWaalsContact CB-SG 3.6Å; A632-A677 HydrophobicContact CB-CB 3.98Å
633I88.6Confident86.1Confident28 Ų2827.1 Ų27.114%0.14416%0.162CC..Hα-helixtrans-61.7-43.4176.8-71.6167.2000111.2K629 T631 C636 R637 V648 A652K629-I633 HydrophobicContact CG-CD1 3.84Å; K629-I633 HydrophobicContact CG-CG1 4.5Å; K629-I633 VanDerWaalsContact O-CG1 3.29Å; K629-I633 WeakPolarHBondContact O-CG1 3.46Å; K629-I633 PolarHBondContact O-N 2.83Å; T631-I633 PolarHBondContact O-N 3.05Å; I633-C636 WeakPolarHBondContact O-CB 3.27Å; I633-C636 PolarHBondContact O-N 2.97Å; I633-R637 WeakPolarHBondContact O-CG 3.22Å; I633-R637 PolarHBondContact O-N 3.43Å; I633-V648 HydrophobicContact CD1-CG2 4.04Å; I633-V648 HydrophobicContact CG1-CG2 4.29Å; I633-V648 HydrophobicContact CG2-CG2 3.78Å; I633-A652 HydrophobicContact CD1-CB 3.8Å; I633-A652 HydrophobicContact CG1-CB 3.71Å
634A83.9Confident85.7Confident15 Ų1532.6 Ų32.612%0.12419%0.188CC..Hα-helixtrans-65.2-40.6-179.400000112.4T558 G630 T631 A632 R637 R638T558-A634 HydrophobicContact CG2-CB 3.17Å; G630-A634 PolarHBondContact O-N 3.44Å; G630-A634 VanDerWaalsContact O-N 3.15Å; T631-A634 PolarHBondContact O-N 3.36Å; A632-A634 PolarHBondContact O-N 3.29Å; A634-R637 PolarHBondContact O-N 2.9Å; A634-R638 WeakPolarHBondContact O-CB 3.23Å; A634-R638 PolarHBondContact O-N 3.16Å
635I85.8Confident85.6Confident6 Ų639.5 Ų39.53%0.03122%0.224CC..Hα-helixtrans-63.7-44.8174.1-62176.4000109.9K352 M623 T631 A632 R637 R638 I639K352-I635 HydrophobicContact CD-CD1 3.57Å; K352-I635 HydrophobicContact CG-CD1 4.29Å; K352-I635 HydrophobicContact CG-CG2 4.45Å; M623-I635 HydrophobicContact CE-CB 4.2Å; M623-I635 HydrophobicContact CE-CG2 3.63Å; M623-I635 HydrophobicContact SD-CG2 4.46Å; T631-I635 HydrophobicContact CG2-CD1 3.99Å; T631-I635 HydrophobicContact CG2-CG1 4.46Å; T631-I635 WeakPolarHBondContact O-CG1 3.43Å; T631-I635 PolarHBondContact O-N 3.1Å; A632-I635 PolarHBondContact O-N 3.1Å; I635-R637 VanDerWaalsContact C-N 3.28Å; I635-R637 PolarHBondContact O-N 2.94Å; I635-R638 WeakPolarHBondContact O-CB 3.3Å; I635-R638 PolarHBondContact O-N 2.9Å; I635-I639 HydrophobicContact CG2-CG2 4.28Å; I635-I639 WeakPolarHBondContact O-CG1 3.35Å; I635-I639 PolarHBondContact O-N 3.47Å
636C91.4Very high85.9Confident0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-55.9-40.3175.5-73.60000112.7M623 A632 I633 G640 I641 F642M623-C636 VanDerWaalsContact CE-SG 3.56Å; A632-C636 PolarHBondContact O-N 3.37Å; A632-C636 PolarHBondContact O-SG 2.89Å; I633-C636 WeakPolarHBondContact O-CB 3.27Å; I633-C636 PolarHBondContact O-N 2.97Å; C636-G640 PolarHBondContact O-N 3.1Å; C636-I641 HydrophobicContact CB-CB 4.06Å; C636-I641 HydrophobicContact CB-CG2 4.36Å; C636-I641 PolarHBondContact O-N 3.37Å; C636-F642 HydrophobicContact CB-CD2 3.3Å; C636-F642 HydrophobicContact CB-CE2 3.64Å; C636-F642 HydrophobicContact CB-CG 4.19Å; C636-F642 PolarHBondContact O-N 3.02Å
637R90.1Very high86.8Confident66 Ų6648.9 Ų48.925%0.24926%0.261CS..Hα-helixtrans-66-42.7173.9-69-178.3-170.2-75.53.5111.9I633 A634 I635 I639 G640 F642 G643 E644 E646I633-R637 WeakPolarHBondContact O-CG 3.22Å; I633-R637 PolarHBondContact O-N 3.43Å; A634-R637 PolarHBondContact O-N 2.9Å; I635-R637 VanDerWaalsContact C-N 3.28Å; I635-R637 PolarHBondContact O-N 2.94Å; R637-I639 PolarHBondContact O-N 2.93Å; R637-G640 PolarHBondContact O-N 3.38Å; R637-F642 HydrophobicContact CG-CB 3.95Å; R637-G643 PolarHBondContact NH1-O 3.43Å; R637-E644 WeakPolarHBondContact CD-O 3.47Å; R637-E644 PolarHBondContact NH1-O 3.38Å; R637-E644 VanDerWaalsContact NH1-O 3.14Å; R637-E646 VanDerWaalsContact CZ-O 3.26Å; R637-E646 PolarHBondContact NH1-O 3.49Å; R637-E646 PolarHBondContact NH2-O 3Å
638R86.4Confident87.7Confident122 Ų12247.5 Ų47.546%0.4625%0.254SS..Hα-helixtrans-66.2-37.6-177.5-173.3171.4-176154.21.7113A634 I635A634-R638 WeakPolarHBondContact O-CB 3.23Å; A634-R638 PolarHBondContact O-N 3.16Å; I635-R638 WeakPolarHBondContact O-CB 3.3Å; I635-R638 PolarHBondContact O-N 2.9Å
639I89.7Confident88.5Confident2 Ų247.1 Ų47.11%0.0126%0.262CS..Hα-helixtrans-89.3-6.4-179.270.3-179.7000113.4L356 P603 V607 I611 M623 I635 R637 I641L356-I639 HydrophobicContact CD1-CD1 3.93Å; L356-I639 HydrophobicContact CD2-CD1 4.48Å; P603-I639 HydrophobicContact CB-CG2 3.58Å; P603-I639 HydrophobicContact CG-CG2 3.6Å; V607-I639 HydrophobicContact CG1-CB 4.11Å; V607-I639 HydrophobicContact CG1-CD1 4.3Å; V607-I639 HydrophobicContact CG1-CG2 4.32Å; I611-I639 HydrophobicContact CD1-CB 3.89Å; I611-I639 HydrophobicContact CD1-CD1 3.65Å; I611-I639 HydrophobicContact CD1-CG1 3.6Å; I611-I639 WeakPolarHBondContact CD1-O 3.4Å; M623-I639 HydrophobicContact CE-CD1 3.4Å; M623-I639 HydrophobicContact CE-CG1 4.43Å; I635-I639 HydrophobicContact CG2-CG2 4.28Å; I635-I639 WeakPolarHBondContact O-CG1 3.35Å; I635-I639 PolarHBondContact O-N 3.47Å; R637-I639 PolarHBondContact O-N 2.93Å; I639-I641 HydrophobicContact CD1-CD1 3.81Å; I639-I641 HydrophobicContact CD1-CG1 4.05Å; I639-I641 HydrophobicContact CG1-CD1 4.31Å; I639-I641 HydrophobicContact CG1-CG1 4.02Å
640G92.1Very high89Confident25 Ų2548.4 Ų48.426%0.25827%0.271SS..THydrogen-bonded Turntrans91.513.517500000115.9R615 C636 R637R615-G640 PolarHBondContact NH1-O 3.36Å; R615-G640 PolarHBondContact NH2-O 3.35Å; C636-G640 PolarHBondContact O-N 3.1Å; R637-G640 PolarHBondContact O-N 3.38Å
641I95.1Very high89.6Confident10 Ų1048.9 Ų48.95%0.05126%0.258CS..SBendtrans-65.4-46168.7-67.8-178.7000109.9I611 V621 M623 C636 I639 C674I611-I641 HydrophobicContact CD1-CG1 3.93Å; I611-I641 HydrophobicContact CG2-CG1 4.42Å; V621-I641 HydrophobicContact CG1-CD1 4Å; V621-I641 HydrophobicContact CG1-CG1 4.38Å; M623-I641 HydrophobicContact CB-CD1 3.9Å; M623-I641 HydrophobicContact CE-CD1 4.23Å; C636-I641 HydrophobicContact CB-CB 4.06Å; C636-I641 HydrophobicContact CB-CG2 4.36Å; C636-I641 PolarHBondContact O-N 3.37Å; I639-I641 HydrophobicContact CD1-CD1 3.81Å; I639-I641 HydrophobicContact CD1-CG1 4.05Å; I639-I641 HydrophobicContact CG1-CD1 4.31Å; I639-I641 HydrophobicContact CG1-CG1 4.02Å; I641-C674 HydrophobicContact CG2-CB 3.55Å
642F95Very high90.5Very high3 Ų347.8 Ų47.81%0.01325%0.251CS..SBendtrans-106.8148.9172.6-63.8-47.2000110.5C636 R637 V648 R651 C674 C675C636-F642 HydrophobicContact CB-CD2 3.3Å; C636-F642 HydrophobicContact CB-CE2 3.64Å; C636-F642 HydrophobicContact CB-CG 4.19Å; C636-F642 PolarHBondContact O-N 3.02Å; R637-F642 HydrophobicContact CG-CB 3.95Å; F642-V648 HydrophobicContact CB-CG1 4.09Å; F642-V648 HydrophobicContact CD1-CG1 3.61Å; F642-V648 HydrophobicContact CD2-CB 4.42Å; F642-V648 HydrophobicContact CD2-CG1 3.73Å; F642-V648 HydrophobicContact CE1-CB 4.45Å; F642-V648 HydrophobicContact CE1-CG1 3.9Å; F642-V648 HydrophobicContact CE2-CB 4.26Å; F642-V648 HydrophobicContact CE2-CG1 4.01Å; F642-V648 HydrophobicContact CG-CG1 3.54Å; F642-V648 HydrophobicContact CZ-CB 4.28Å; F642-V648 HydrophobicContact CZ-CG1 4.09Å; F642-R651 HydrophobicContact CE1-CB 3.84Å; F642-R651 HydrophobicContact CZ-CB 4.09Å; F642-C674 HydrophobicContact CE1-CB 3.8Å; F642-C674 HydrophobicContact CZ-CB 4.01Å; F642-C675 HydrophobicContact CE2-CB 3.78Å; F642-C675 HydrophobicContact CZ-CB 3.86Å
643G91.3Very high91Very high33 Ų3348.8 Ų48.834%0.3426%0.255SS..  trans-64.4155.416700000111.6R637 N645 E646R637-G643 PolarHBondContact NH1-O 3.43Å; G643-N645 VanDerWaalsContact C-N 3.27Å; G643-N645 PolarHBondContact O-N 3.33Å; G643-E646 PolarHBondContact N-OE2 3.06Å; G643-E646 PolarHBondContact O-N 2.87Å
644E86.7Confident91Very high116 Ų11648.6 Ų48.654%0.54226%0.255SS..THydrogen-bonded Turntrans-56.7-39.3-176.6-73.5-158.5161.800113.6R556 R637R556-E644 IonicContact CZ-OE1 2.8Å; R556-E644 IonicContact CZ-OE2 2.79Å; R556-E644 VanDerWaalsContact CZ-OE2 3.23Å; R556-E644 IonicContact NH1-OE1 3.7Å; R556-E644 PolarHBondContact NH1-OE1 2.94Å; R556-E644 VanDerWaalsContact NH1-OE1 3.09Å; R556-E644 IonicContact NH1-OE2 3.05Å; R556-E644 PolarHBondContact NH1-OE2 3.03Å; R556-E644 IonicContact NH2-OE2 3.91Å; R556-E644 PolarHBondContact NH2-OE2 3.27Å; R637-E644 WeakPolarHBondContact CD-O 3.47Å; R637-E644 PolarHBondContact NH1-O 3.38Å; R637-E644 VanDerWaalsContact NH1-O 3.14Å
645N88.3Confident91.1Very high144 Ų14448 Ų4877%0.7725%0.25SS*.THydrogen-bonded Turntrans-115.112.8-175.4-57.5-42.5000112.8G643G643-N645 VanDerWaalsContact C-N 3.27Å; G643-N645 PolarHBondContact O-N 3.33Å
646E91.5Very high90.9Very high70 Ų7055.5 Ų55.533%0.32728%0.278SS..  trans-68.4141.7-178.7-178.5174.9-168.700111.6R637 G643 V648 R651R637-E646 VanDerWaalsContact CZ-O 3.26Å; R637-E646 PolarHBondContact NH1-O 3.49Å; R637-E646 PolarHBondContact NH2-O 3Å; G643-E646 PolarHBondContact N-OE2 3.06Å; G643-E646 PolarHBondContact O-N 2.87Å; E646-V648 HydrophobicContact CG-CG1 4.46Å; E646-R651 IonicContact OE1-CZ 3.48Å; E646-R651 IonicContact OE1-NH1 3.83Å; E646-R651 PolarHBondContact OE1-NH1 3.36Å; E646-R651 IonicContact OE2-NH1 3.78Å; E646-R651 PolarHBondContact OE2-NH1 3.03Å
647E92Very high90.9Very high156 Ų15659 Ų5973%0.72930%0.295SS*.  trans-74.8130.5171.7-166.4-177.7-174.900110.4
648V93.4Very high91.1Very high10 Ų1056 Ų566%0.06128%0.283CS..  trans-130.913.2-172-59.70000113.1I633 F642 E646 D650 R651 A652I633-V648 HydrophobicContact CD1-CG2 4.04Å; I633-V648 HydrophobicContact CG1-CG2 4.29Å; I633-V648 HydrophobicContact CG2-CG2 3.78Å; F642-V648 HydrophobicContact CB-CG1 4.09Å; F642-V648 HydrophobicContact CD1-CG1 3.61Å; F642-V648 HydrophobicContact CD2-CB 4.42Å; F642-V648 HydrophobicContact CD2-CG1 3.73Å; F642-V648 HydrophobicContact CE1-CB 4.45Å; F642-V648 HydrophobicContact CE1-CG1 3.9Å; F642-V648 HydrophobicContact CE2-CB 4.26Å; F642-V648 HydrophobicContact CE2-CG1 4.01Å; F642-V648 HydrophobicContact CG-CG1 3.54Å; F642-V648 HydrophobicContact CZ-CB 4.28Å; F642-V648 HydrophobicContact CZ-CG1 4.09Å; E646-V648 HydrophobicContact CG-CG1 4.46Å; V648-D650 PolarHBondContact O-N 2.64Å; V648-D650 VanDerWaalsContact O-N 3.13Å; V648-R651 HydrophobicContact CB-CB 4.45Å; V648-R651 PolarHBondContact O-N 3.46Å; V648-R651 VanDerWaalsContact O-N 3.1Å; V648-A652 PolarHBondContact O-N 2.81Å; V648-A652 VanDerWaalsContact O-N 3.16Å
649A90.4Very high91.2Very high67 Ų6752.4 Ų52.455%0.55427%0.273SS*.THydrogen-bonded Turntrans-55.8-34.8-174.300000112.4
650D93.2Very high91.4Very high74 Ų7457.2 Ų57.240%0.39630%0.299SS..THydrogen-bonded Turntrans-112.97.8-175.673.5-24.6000112.1V648 Y653 R672V648-D650 PolarHBondContact O-N 2.64Å; V648-D650 VanDerWaalsContact O-N 3.13Å; D650-Y653 VanDerWaalsContact O-CE2 3.3Å; D650-Y653 WeakPolarHBondContact O-CE2 3.4Å; D650-Y653 PolarHBondContact O-OH 3.08Å; D650-R672 PolarHBondContact O-NH1 3.47Å; D650-R672 IonicContact OD1-NH1 3.11Å; D650-R672 IonicContact OD2-CZ 2.84Å; D650-R672 IonicContact OD2-NH1 3.41Å; D650-R672 PolarHBondContact OD2-NH1 2.89Å
651R95.1Very high91.5Very high56 Ų5657.8 Ų57.821%0.21130%0.296CS..THydrogen-bonded Turntrans-110.7-5174.6-57.7-17168.6-155.7-3113.4F642 E646 V648 R672 A673 C674 C675F642-R651 HydrophobicContact CE1-CB 3.84Å; F642-R651 HydrophobicContact CZ-CB 4.09Å; E646-R651 IonicContact OE1-CZ 3.48Å; E646-R651 IonicContact OE1-NH1 3.83Å; E646-R651 PolarHBondContact OE1-NH1 3.36Å; E646-R651 IonicContact OE2-NH1 3.78Å; E646-R651 PolarHBondContact OE2-NH1 3.03Å; V648-R651 HydrophobicContact CB-CB 4.45Å; V648-R651 PolarHBondContact O-N 3.46Å; V648-R651 VanDerWaalsContact O-N 3.1Å; R651-R672 PolarHBondContact NE-O 3.39Å; R651-A673 VanDerWaalsContact O-CA 3.3Å; R651-A673 WeakPolarHBondContact O-CA 3.5Å; R651-A673 WeakPolarHBondContact O-CB 3.41Å; R651-C674 PolarHBondContact NH2-SG 2.91Å; R651-C674 PolarHBondContact O-N 3.15Å; R651-C675 PolarHBondContact O-N 3.08Å
652A95.3Very high91.5Very high0 Ų060.6 Ų60.60%032%0.315CS..EExtended strand (participates in β ladder)trans-132.9127178.700000111.3K629 I633 V648 C675K629-A652 WeakPolarHBondContact CE-O 3.47Å; K629-A652 PolarHBondContact NZ-O 3.3Å; I633-A652 HydrophobicContact CD1-CB 3.8Å; I633-A652 HydrophobicContact CG1-CB 3.71Å; V648-A652 PolarHBondContact O-N 2.81Å; V648-A652 VanDerWaalsContact O-N 3.16Å; A652-C675 VanDerWaalsContact CA-O 3.25Å; A652-C675 WeakPolarHBondContact CA-O 3.36Å; A652-C675 HydrophobicContact CB-CB 3.88Å
653Y95.1Very high91.4Very high22 Ų2266.2 Ų66.29%0.08634%0.344CS..EExtended strand (participates in β ladder)trans-128.6147.4-177.3-66.9-86.4000111.3D650 E657 L661 A669 R672 A673 C675 F676 A677D650-Y653 VanDerWaalsContact O-CE2 3.3Å; D650-Y653 WeakPolarHBondContact O-CE2 3.4Å; D650-Y653 PolarHBondContact O-OH 3.08Å; Y653-E657 WeakPolarHBondContact CA-OE2 3.39Å; Y653-E657 HydrophobicContact CD1-CB 4.25Å; Y653-L661 HydrophobicContact CD1-CD1 4.28Å; Y653-L661 HydrophobicContact CE1-CD1 3.89Å; Y653-A669 HydrophobicContact CD2-CB 4.42Å; Y653-A669 HydrophobicContact CE2-CB 3.85Å; Y653-R672 PolarHBondContact OH-NH2 3.27Å; Y653-A673 HydrophobicContact CD2-CB 3.96Å; Y653-A673 HydrophobicContact CE2-CB 4.09Å; Y653-C675 PolarHBondContact N-O 2.89Å; Y653-F676 HydrophobicContact CD2-CE1 4.3Å; Y653-F676 CarbonylContact O-C 3.51Å; Y653-F676 VanDerWaalsContact O-CA 3.3Å; Y653-F676 WeakPolarHBondContact O-CA 3.49Å; Y653-A677 PolarHBondContact O-N 3.2Å
654T88.6Confident91.6Very high24 Ų2469.5 Ų69.515%0.14736%0.36CS..EExtended strand (participates in β ladder)trans-81.8159.8158.460.50000110.8K629 R656 E657 F658 A677K629-T654 HydrophobicContact CB-CG2 3.85Å; K629-T654 HydrophobicContact CD-CG2 4.05Å; K629-T654 HydrophobicContact CG-CG2 4.41Å; T654-R656 PolarHBondContact O-N 3.4Å; T654-E657 PolarHBondContact N-OE2 3.1Å; T654-E657 PolarHBondContact O-N 2.9Å; T654-E657 WeakPolarHBondContact OG1-CB 3.32Å; T654-E657 VanDerWaalsContact OG1-CG 3.23Å; T654-E657 WeakPolarHBondContact OG1-CG 3.16Å; T654-E657 PolarHBondContact OG1-N 3.27Å; T654-E657 VanDerWaalsContact OG1-N 3.11Å; T654-E657 PolarHBondContact OG1-OE2 3.25Å; T654-F658 WeakPolarHBondContact O-CB 3.38Å; T654-F658 PolarHBondContact O-N 2.95Å; T654-A677 CarbonylContact C-O 3.58Å; T654-A677 WeakPolarHBondContact CA-O 3.33Å
655G86.3Confident92Very high2 Ų269 Ų692%0.02136%0.358CS..Hα-helixtrans-52.9-39.1171.500000112.9F658 D659 A677 R678G655-F658 PolarHBondContact O-N 3.47Å; G655-D659 WeakPolarHBondContact O-CB 3.48Å; G655-D659 PolarHBondContact O-N 2.71Å; G655-A677 PolarHBondContact N-O 2.98Å; G655-R678 PolarHBondContact N-O 2.8Å
656R82.4Confident92.4Very high163 Ų16362.6 Ų62.662%0.61532%0.323SS*.Hα-helixtrans-69.2-48.4177.7-172.7174.8-177.4135.32.1112.9D196 T654 F658 D659 D660D196-R656 IonicContact OD2-CZ 2.79Å; D196-R656 IonicContact OD2-NH1 2.87Å; D196-R656 PolarHBondContact OD2-NH1 2.75Å; D196-R656 IonicContact OD2-NH2 3.57Å; T654-R656 PolarHBondContact O-N 3.4Å; R656-F658 PolarHBondContact O-N 2.87Å; R656-D659 PolarHBondContact O-N 3.36Å; R656-D660 WeakPolarHBondContact O-CB 3.34Å; R656-D660 VanDerWaalsContact O-CG 3.27Å; R656-D660 PolarHBondContact O-N 2.93Å
657E90.2Very high92.6Very high75 Ų7563.9 Ų63.935%0.3533%0.325SS..Hα-helixtrans-57.1-40.1175.3-73.7166.6156.800110.8K629 Y653 T654 L661K629-E657 IonicContact NZ-OE1 2.78Å; K629-E657 PolarHBondContact NZ-OE1 2.68Å; K629-E657 IonicContact NZ-OE2 3.51Å; K629-E657 PolarHBondContact NZ-OE2 3Å; Y653-E657 WeakPolarHBondContact CA-OE2 3.39Å; Y653-E657 HydrophobicContact CD1-CB 4.25Å; T654-E657 PolarHBondContact N-OE2 3.1Å; T654-E657 PolarHBondContact O-N 2.9Å; T654-E657 WeakPolarHBondContact OG1-CB 3.32Å; T654-E657 VanDerWaalsContact OG1-CG 3.23Å; T654-E657 WeakPolarHBondContact OG1-CG 3.16Å; T654-E657 PolarHBondContact OG1-N 3.27Å; T654-E657 VanDerWaalsContact OG1-N 3.11Å; T654-E657 PolarHBondContact OG1-OE2 3.25Å; E657-L661 WeakPolarHBondContact O-CG 3.46Å; E657-L661 PolarHBondContact O-N 3.02Å
658F94.6Very high92.8Very high2 Ų260.7 Ų60.71%0.00931%0.31CS..Hα-helixtrans-66.9-45.9177.6-175.6-110.4000112.5T654 G655 R656 D660 L661 Q666 A669 F676 Y690T654-F658 WeakPolarHBondContact O-CB 3.38Å; T654-F658 PolarHBondContact O-N 2.95Å; G655-F658 PolarHBondContact O-N 3.47Å; R656-F658 PolarHBondContact O-N 2.87Å; F658-D660 VanDerWaalsContact C-N 3.26Å; F658-D660 PolarHBondContact O-N 2.72Å; F658-L661 HydrophobicContact CD2-CD1 4.43Å; F658-L661 WeakPolarHBondContact O-CB 3.35Å; F658-L661 PolarHBondContact O-N 3.05Å; F658-L661 VanDerWaalsContact O-N 3.14Å; F658-Q666 HydrophobicContact CD2-CB 4.43Å; F658-Q666 HydrophobicContact CD2-CG 4.25Å; F658-Q666 HydrophobicContact CE1-CB 4.47Å; F658-Q666 HydrophobicContact CE1-CG 4.4Å; F658-Q666 HydrophobicContact CE2-CB 3.69Å; F658-Q666 HydrophobicContact CE2-CG 3.98Å; F658-Q666 WeakPolarHBondContact CE2-O 3.46Å; F658-Q666 HydrophobicContact CZ-CB 3.72Å; F658-Q666 HydrophobicContact CZ-CG 4.06Å; F658-Q666 WeakPolarHBondContact O-CG 3.41Å; F658-Q666 PolarHBondContact O-NE2 3.45Å; F658-A669 HydrophobicContact CD2-CB 4.47Å; F658-A669 HydrophobicContact CE2-CB 4.29Å; F658-F676 AromaticContact CD2-CE1 3.82Å; F658-F676 HydrophobicContact CD2-CE1 3.82Å; F658-F676 HydrophobicContact CE2-CE1 4.08Å; F658-F676 HydrophobicContact CG-CE1 4.26Å; F658-Y690 HydrophobicContact CE1-CE2 4.29Å; F658-Y690 AromaticContact CZ-CD2 3.92Å; F658-Y690 HydrophobicContact CZ-CD2 3.92Å; F658-Y690 AromaticContact CZ-CE2 3.77Å; F658-Y690 HydrophobicContact CZ-CE2 3.77Å
659D89.4Confident92.9Very high47 Ų4760.2 Ų60.225%0.25131%0.307SS..Hα-helixtrans-62.7-30.7177.2-106.23.9000113.4R198 G655 R656 L661 H683 K686R198-D659 IonicContact NH2-OD2 3.27Å; R198-D659 PolarHBondContact NH2-OD2 2.98Å; R198-D659 VanDerWaalsContact NH2-OD2 3.14Å; G655-D659 WeakPolarHBondContact O-CB 3.48Å; G655-D659 PolarHBondContact O-N 2.71Å; R656-D659 PolarHBondContact O-N 3.36Å; D659-L661 VanDerWaalsContact C-N 3.3Å; D659-H683 IonicContact OD1-CD2 3.45Å; D659-H683 IonicContact OD1-NE2 2.9Å; D659-H683 PolarHBondContact OD1-NE2 3.32Å; D659-H683 VanDerWaalsContact OD1-NE2 3.16Å; D659-H683 IonicContact OD2-NE2 2.68Å; D659-H683 PolarHBondContact OD2-NE2 3.34Å; D659-K686 IonicContact OD1-NZ 2.75Å
660D92.7Very high93.2Very high102 Ų10257 Ų5755%0.54528%0.281SS..Hα-helixtrans-77.8-15.3178.6-70-23.5000112.4R656 F658R656-D660 WeakPolarHBondContact O-CB 3.34Å; R656-D660 VanDerWaalsContact O-CG 3.27Å; R656-D660 PolarHBondContact O-N 2.93Å; F658-D660 VanDerWaalsContact C-N 3.26Å; F658-D660 PolarHBondContact O-N 2.72Å
661L94.5Very high93.3Very high38 Ų3860.1 Ų60.120%0.19929%0.287CS..SBendtrans-72.7144.5173.6-65.4174.4000111.4Y653 E657 F658 D659 E665 Q666 A669Y653-L661 HydrophobicContact CD1-CD1 4.28Å; Y653-L661 HydrophobicContact CE1-CD1 3.89Å; E657-L661 WeakPolarHBondContact O-CG 3.46Å; E657-L661 PolarHBondContact O-N 3.02Å; F658-L661 HydrophobicContact CD2-CD1 4.43Å; F658-L661 WeakPolarHBondContact O-CB 3.35Å; F658-L661 PolarHBondContact O-N 3.05Å; F658-L661 VanDerWaalsContact O-N 3.14Å; D659-L661 VanDerWaalsContact C-N 3.3Å; L661-E665 HydrophobicContact CB-CB 4.18Å; L661-E665 HydrophobicContact CD2-CB 4.49Å; L661-Q666 HydrophobicContact CB-CG 3.77Å; L661-Q666 PolarHBondContact O-NE2 3.26Å; L661-A669 HydrophobicContact CD1-CB 4.12Å
662P95.7Very high93.3Very high68 Ų6861.4 Ų61.444%0.44229%0.292SS..  trans-58.1150166.8-23.133.4000112.4P664 E665 Q666P662-P664 VanDerWaalsContact C-CD 3.49Å; P662-E665 HydrophobicContact CB-CG 4.47Å; P662-E665 HydrophobicContact CG-CG 4.42Å; P662-E665 CarbonylContact O-C 3.4Å; P662-E665 WeakPolarHBondContact O-CA 3.44Å; P662-E665 WeakPolarHBondContact O-CB 3.37Å; P662-E665 PolarHBondContact O-N 3.14Å; P662-Q666 PolarHBondContact O-N 2.85Å
663L93.4Very high93.3Very high121 Ų12161.4 Ų61.463%0.63429%0.292SS*.Hα-helixtrans-49.5-43.9-179.1-68.2162.2000114.4E665 Q666 R667 Y690L663-E665 VanDerWaalsContact C-N 3.32Å; L663-E665 PolarHBondContact O-N 3.42Å; L663-Q666 PolarHBondContact O-N 3.34Å; L663-R667 PolarHBondContact O-N 3.27Å; L663-R667 VanDerWaalsContact O-N 3.1Å; L663-Y690 VanDerWaalsContact CD2-OH 3.26Å; L663-Y690 WeakPolarHBondContact CD2-OH 3.32Å
664P94.6Very high93.3Very high102 Ų10260.5 Ų60.566%0.66229%0.289SS*.Hα-helixtrans-64.9-34.8176.3-21.734.7000113.4P662 E668P662-P664 VanDerWaalsContact C-CD 3.49Å; P664-E668 PolarHBondContact O-N 3.05Å; P664-E668 VanDerWaalsContact O-N 3.1Å
665E95.6Very high93.7Very high107 Ų10759.4 Ų59.450%0.528%0.282SS..Hα-helixtrans-75.7-32.8178.2-67.3-178-149.500111.8L661 P662 L663 E668 A669L661-E665 HydrophobicContact CB-CB 4.18Å; L661-E665 HydrophobicContact CD2-CB 4.49Å; P662-E665 HydrophobicContact CB-CG 4.47Å; P662-E665 HydrophobicContact CG-CG 4.42Å; P662-E665 CarbonylContact O-C 3.4Å; P662-E665 WeakPolarHBondContact O-CA 3.44Å; P662-E665 WeakPolarHBondContact O-CB 3.37Å; P662-E665 PolarHBondContact O-N 3.14Å; L663-E665 VanDerWaalsContact C-N 3.32Å; L663-E665 PolarHBondContact O-N 3.42Å; E665-E668 PolarHBondContact O-N 2.77Å; E665-A669 VanDerWaalsContact O-CB 3.22Å; E665-A669 WeakPolarHBondContact O-CB 3.31Å; E665-A669 PolarHBondContact O-N 2.75Å
666Q95.7Very high94.1Very high9 Ų959.4 Ų59.44%0.04228%0.282CS..Hα-helixtrans-59.9-47.6169.8-71-177.84.300110.8F658 L661 P662 L663 E668 A669 C670 Y690F658-Q666 HydrophobicContact CD2-CB 4.43Å; F658-Q666 HydrophobicContact CD2-CG 4.25Å; F658-Q666 HydrophobicContact CE1-CB 4.47Å; F658-Q666 HydrophobicContact CE1-CG 4.4Å; F658-Q666 HydrophobicContact CE2-CB 3.69Å; F658-Q666 HydrophobicContact CE2-CG 3.98Å; F658-Q666 WeakPolarHBondContact CE2-O 3.46Å; F658-Q666 HydrophobicContact CZ-CB 3.72Å; F658-Q666 HydrophobicContact CZ-CG 4.06Å; F658-Q666 WeakPolarHBondContact O-CG 3.41Å; F658-Q666 PolarHBondContact O-NE2 3.45Å; L661-Q666 HydrophobicContact CB-CG 3.77Å; L661-Q666 PolarHBondContact O-NE2 3.26Å; P662-Q666 PolarHBondContact O-N 2.85Å; L663-Q666 PolarHBondContact O-N 3.34Å; Q666-E668 PolarHBondContact O-N 3.16Å; Q666-A669 WeakPolarHBondContact O-CB 3.37Å; Q666-A669 PolarHBondContact O-N 3.2Å; Q666-C670 PolarHBondContact O-N 3.05Å; Q666-C670 PolarHBondContact O-SG 3.13Å; Q666-Y690 HydrophobicContact CB-CE2 3.75Å; Q666-Y690 PolarHBondContact OE1-OH 2.87Å
667R96.4Very high94.3Very high96 Ų9651.7 Ų51.736%0.36225%0.252SS..Hα-helixtrans-58.6-47.8177.1-175.5175.1177.6-102.31.9111.5L663 C670 R671 Y690 S693 F694L663-R667 PolarHBondContact O-N 3.27Å; L663-R667 VanDerWaalsContact O-N 3.1Å; R667-C670 PolarHBondContact O-N 3.18Å; R667-R671 PolarHBondContact O-N 3.3Å; R667-Y690 HydrophobicContact CB-CD1 3.65Å; R667-Y690 HydrophobicContact CB-CE1 3.9Å; R667-Y690 HydrophobicContact CB-CG 4.32Å; R667-Y690 HydrophobicContact CG-CD1 3.87Å; R667-S693 PolarHBondContact NE-OG 2.77Å; R667-S693 PolarHBondContact NH2-O 2.79Å; R667-F694 HydrophobicContact CG-CE2 3.6Å; R667-F694 HydrophobicContact CG-CZ 3.58Å; R667-F694 WeakPolarHBondContact O-CE2 3.31Å
668E96Very high93.8Very high89 Ų8955.1 Ų55.142%0.41626%0.262SS..Hα-helixtrans-67-36177.5-170.858-150.700112.4P664 E665 Q666 C670 R671 R672P664-E668 PolarHBondContact O-N 3.05Å; P664-E668 VanDerWaalsContact O-N 3.1Å; E665-E668 PolarHBondContact O-N 2.77Å; Q666-E668 PolarHBondContact O-N 3.16Å; E668-C670 VanDerWaalsContact C-N 3.33Å; E668-C670 PolarHBondContact O-N 3.49Å; E668-R671 WeakPolarHBondContact O-CB 3.48Å; E668-R671 PolarHBondContact O-N 3.5Å; E668-R671 VanDerWaalsContact O-N 3.12Å; E668-R672 WeakPolarHBondContact O-CD 3.49Å; E668-R672 PolarHBondContact O-N 2.88Å
669A96.1Very high93.3Very high1 Ų155.5 Ų55.51%0.00827%0.265CS..Hα-helixtrans-59.5-42173.900000111.7Y653 F658 L661 E665 Q666 R671 R672 A673Y653-A669 HydrophobicContact CD2-CB 4.42Å; Y653-A669 HydrophobicContact CE2-CB 3.85Å; F658-A669 HydrophobicContact CD2-CB 4.47Å; F658-A669 HydrophobicContact CE2-CB 4.29Å; L661-A669 HydrophobicContact CD1-CB 4.12Å; E665-A669 VanDerWaalsContact O-CB 3.22Å; E665-A669 WeakPolarHBondContact O-CB 3.31Å; E665-A669 PolarHBondContact O-N 2.75Å; Q666-A669 WeakPolarHBondContact O-CB 3.37Å; Q666-A669 PolarHBondContact O-N 3.2Å; A669-R671 PolarHBondContact O-N 3.47Å; A669-R672 PolarHBondContact O-N 3.05Å; A669-A673 WeakPolarHBondContact O-CB 3.08Å; A669-A673 PolarHBondContact O-N 3.2Å
670C96.6Very high92.6Very high0 Ų054.2 Ų54.20%026%0.257CS..Hα-helixtrans-62.5-27.5175.9-71.90000113.4R620 Q666 R667 E668 L691R620-C670 PolarHBondContact NH1-O 2.88Å; R620-C670 PolarHBondContact NH2-O 2.85Å; R620-C670 VanDerWaalsContact NH2-O 3.07Å; Q666-C670 PolarHBondContact O-N 3.05Å; Q666-C670 PolarHBondContact O-SG 3.13Å; R667-C670 PolarHBondContact O-N 3.18Å; E668-C670 VanDerWaalsContact C-N 3.33Å; E668-C670 PolarHBondContact O-N 3.49Å; C670-L691 HydrophobicContact CB-CD2 4.5Å
671R94.4Very high91.8Very high138 Ų13850 Ų5052%0.52124%0.235SC..Hα-helixtrans-71.2-32.6177.7-166.1179.7-175.9-1722.3113.3R620 R667 E668 A669 F694R620-R671 PolarHBondContact NH1-O 2.79Å; R620-R671 VanDerWaalsContact NH1-O 3.1Å; R667-R671 PolarHBondContact O-N 3.3Å; E668-R671 WeakPolarHBondContact O-CB 3.48Å; E668-R671 PolarHBondContact O-N 3.5Å; E668-R671 VanDerWaalsContact O-N 3.12Å; A669-R671 PolarHBondContact O-N 3.47Å; R671-F694 HydrophobicContact CB-CE2 4.04Å; R671-F694 HydrophobicContact CB-CZ 4.08Å; R671-F694 HydrophobicContact CG-CZ 4.42Å
672R94.7Very high91.3Very high83 Ų8350 Ų5031%0.31324%0.238SC..Hα-helixtrans-110-26.9-172.570.4-148.5-17294.8-12.8114.9D650 R651 Y653 E668 A669D650-R672 PolarHBondContact O-NH1 3.47Å; D650-R672 IonicContact OD1-NH1 3.11Å; D650-R672 IonicContact OD2-CZ 2.84Å; D650-R672 IonicContact OD2-NH1 3.41Å; D650-R672 PolarHBondContact OD2-NH1 2.89Å; R651-R672 PolarHBondContact NE-O 3.39Å; Y653-R672 PolarHBondContact OH-NH2 3.27Å; E668-R672 WeakPolarHBondContact O-CD 3.49Å; E668-R672 PolarHBondContact O-N 2.88Å; A669-R672 PolarHBondContact O-N 3.05Å
673A96Very high91Very high0 Ų047.1 Ų47.10%022%0.219CC..  trans-70.9148.3-177.200000111.6R620 R651 Y653 A669 F676R620-A673 PolarHBondContact NH1-O 3.08Å; R651-A673 VanDerWaalsContact O-CA 3.3Å; R651-A673 WeakPolarHBondContact O-CA 3.5Å; R651-A673 WeakPolarHBondContact O-CB 3.41Å; Y653-A673 HydrophobicContact CD2-CB 3.96Å; Y653-A673 HydrophobicContact CE2-CB 4.09Å; A669-A673 WeakPolarHBondContact O-CB 3.08Å; A669-A673 PolarHBondContact O-N 3.2Å; A673-F676 HydrophobicContact CB-CE1 4.46Å; A673-F676 HydrophobicContact CB-CE2 3.83Å; A673-F676 HydrophobicContact CB-CZ 3.67Å
674C95.9Very high90.9Very high4 Ų441.8 Ų41.83%0.02719%0.191CC..  trans-129.84.9175.2-65.10000112.5I622 M623 I641 F642 R651I622-C674 WeakPolarHBondContact CA-O 3.49Å; M623-C674 PolarHBondContact N-O 3.16Å; I641-C674 HydrophobicContact CG2-CB 3.55Å; F642-C674 HydrophobicContact CE1-CB 3.8Å; F642-C674 HydrophobicContact CZ-CB 4.01Å; R651-C674 PolarHBondContact NH2-SG 2.91Å; R651-C674 PolarHBondContact O-N 3.15Å
675C96.3Very high90.7Very high1 Ų137.6 Ų37.61%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-146.4120.5-179.9178.20000110.9M623 A632 F642 R651 A652 Y653M623-C675 CarbonylContact O-C 3.51Å; M623-C675 VanDerWaalsContact O-CA 3.32Å; M623-C675 WeakPolarHBondContact O-CA 3.46Å; A632-C675 VanDerWaalsContact CB-SG 3.6Å; F642-C675 HydrophobicContact CE2-CB 3.78Å; F642-C675 HydrophobicContact CZ-CB 3.86Å; R651-C675 PolarHBondContact O-N 3.08Å; A652-C675 VanDerWaalsContact CA-O 3.25Å; A652-C675 WeakPolarHBondContact CA-O 3.36Å; A652-C675 HydrophobicContact CB-CB 3.88Å; Y653-C675 PolarHBondContact N-O 2.89Å
676F94.6Very high90.6Very high2 Ų235.9 Ų35.91%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-119.4124.5169.8-66-89.9000109.7I622 M623 I624 T625 Y653 F658 A673 V679 I687I622-F676 HydrophobicContact CG2-CD2 3.69Å; I622-F676 HydrophobicContact CG2-CE2 3.86Å; M623-F676 PolarHBondContact O-N 3.24Å; I624-F676 CarbonylContact C-O 3.58Å; I624-F676 WeakPolarHBondContact CA-O 3.21Å; T625-F676 PolarHBondContact N-O 2.68Å; Y653-F676 HydrophobicContact CD2-CE1 4.3Å; Y653-F676 CarbonylContact O-C 3.51Å; Y653-F676 VanDerWaalsContact O-CA 3.3Å; Y653-F676 WeakPolarHBondContact O-CA 3.49Å; F658-F676 AromaticContact CD2-CE1 3.82Å; F658-F676 HydrophobicContact CD2-CE1 3.82Å; F658-F676 HydrophobicContact CE2-CE1 4.08Å; F658-F676 HydrophobicContact CG-CE1 4.26Å; A673-F676 HydrophobicContact CB-CE1 4.46Å; A673-F676 HydrophobicContact CB-CE2 3.83Å; A673-F676 HydrophobicContact CB-CZ 3.67Å; F676-V679 HydrophobicContact CB-CG2 3.56Å; F676-V679 WeakPolarHBondContact O-CG2 3.15Å; F676-I687 HydrophobicContact CB-CD1 4.21Å; F676-I687 HydrophobicContact CD1-CD1 3.94Å; F676-I687 HydrophobicContact CD2-CD1 3.75Å; F676-I687 HydrophobicContact CE1-CD1 4.2Å; F676-I687 HydrophobicContact CE1-CG1 4.43Å; F676-I687 HydrophobicContact CE2-CD1 4.02Å; F676-I687 HydrophobicContact CE2-CG1 4.35Å; F676-I687 HydrophobicContact CE2-CG2 4.41Å; F676-I687 HydrophobicContact CG-CD1 3.7Å; F676-I687 HydrophobicContact CZ-CD1 4.24Å; F676-I687 HydrophobicContact CZ-CG1 4.28Å
677A85.9Confident90.6Very high0 Ų035.5 Ų35.50%015%0.153CC..EExtended strand (participates in β ladder)trans-115.9153.1-175.500000111.4T625 D627 K629 A632 Y653 T654 G655 V679T625-A677 HydrophobicContact CG2-CB 4.35Å; T625-A677 CarbonylContact O-C 3.52Å; T625-A677 VanDerWaalsContact O-CA 3.32Å; T625-A677 WeakPolarHBondContact O-CA 3.26Å; D627-A677 WeakPolarHBondContact O-CB 3.28Å; K629-A677 HydrophobicContact CB-CB 4.19Å; A632-A677 HydrophobicContact CB-CB 3.98Å; Y653-A677 PolarHBondContact O-N 3.2Å; T654-A677 CarbonylContact C-O 3.58Å; T654-A677 WeakPolarHBondContact CA-O 3.33Å; G655-A677 PolarHBondContact N-O 2.98Å; A677-V679 VanDerWaalsContact C-N 3.34Å; A677-V679 PolarHBondContact O-N 3.41Å
678R81.2Confident90.5Very high148 Ų14830.9 Ų30.956%0.55814%0.136SC*.SBendtrans45.957.1-175.7-64.4-168.3171.9-177.4-0.6112.7T625 D627 G655T625-R678 PolarHBondContact O-N 3.28Å; D627-R678 WeakPolarHBondContact O-CG 3.38Å; D627-R678 PolarHBondContact O-N 3.12Å; G655-R678 PolarHBondContact N-O 2.8Å
679V83.1Confident90.5Very high10 Ų1031.4 Ų31.46%0.06114%0.138CC..  trans-98.2138-170.9-174.20000110.1I624 F676 A677 H683 K684I624-V679 HydrophobicContact CG2-CB 3.93Å; I624-V679 HydrophobicContact CG2-CG1 3.86Å; I624-V679 HydrophobicContact CG2-CG2 3.92Å; F676-V679 HydrophobicContact CB-CG2 3.56Å; F676-V679 WeakPolarHBondContact O-CG2 3.15Å; A677-V679 VanDerWaalsContact C-N 3.34Å; A677-V679 PolarHBondContact O-N 3.41Å; V679-H683 HydrophobicContact CG1-CB 3.33Å; V679-K684 HydrophobicContact CG1-CG 4.11Å
680E75.9Confident90.5Very high19 Ų1933 Ų339%0.08914%0.144CC..  trans-85.8159.5173.7-72-58.188.400111.5V200 N201 Q202 S682 H683 K684V200-E680 HydrophobicContact CB-CG 4.04Å; V200-E680 WeakPolarHBondContact CB-OE1 3.19Å; V200-E680 VanDerWaalsContact CG1-CD 3.46Å; V200-E680 HydrophobicContact CG1-CG 3.5Å; V200-E680 VanDerWaalsContact CG1-CG 3.5Å; N201-E680 PolarHBondContact N-OE2 3.02Å; N201-E680 VanDerWaalsContact N-OE2 3.09Å; Q202-E680 PolarHBondContact NE2-OE1 2.84Å; Q202-E680 PolarHBondContact OE1-OE1 2.64Å; E680-S682 PolarHBondContact O-N 3.1Å; E680-H683 PolarHBondContact N-ND1 3.43Å; E680-H683 WeakPolarHBondContact O-CB 3.34Å; E680-H683 PolarHBondContact O-N 3.33Å; E680-K684 PolarHBondContact O-N 2.99Å
681P76.3Confident90.5Very high13 Ų1333 Ų338%0.08414%0.144CC..Hα-helixtrans-48.4-43.7173.6-25.230000113.1H683 K684 N706P681-H683 VanDerWaalsContact C-N 3.32Å; P681-H683 PolarHBondContact O-N 3.44Å; P681-K684 WeakPolarHBondContact O-CB 2.98Å; P681-K684 PolarHBondContact O-N 2.84Å; P681-N706 HydrophobicContact CB-CB 4.21Å; P681-N706 WeakPolarHBondContact CB-O 3.37Å; P681-N706 HydrophobicContact CG-CB 3.82Å
682S82.8Confident90.5Very high39 Ų3928.3 Ų28.327%0.27313%0.128SC..Hα-helixtrans-69.5-25.5-179.958.20000113.9E680 S685 K686E680-S682 PolarHBondContact O-N 3.1Å; S682-S685 PolarHBondContact O-OG 3.46Å; S682-S685 VanDerWaalsContact O-OG 3.06Å; S682-K686 WeakPolarHBondContact O-CB 3.47Å; S682-K686 VanDerWaalsContact O-CG 3.29Å; S682-K686 WeakPolarHBondContact O-CG 3.46Å; S682-K686 PolarHBondContact O-N 3.2Å
683H89.1Confident90.5Very high8 Ų826.9 Ų26.94%0.03713%0.131CC..Hα-helixtrans-71.2-35.6174.5-66.1154.7000111D659 V679 E680 P681 S685 K686 I687D659-H683 IonicContact OD1-CD2 3.45Å; D659-H683 IonicContact OD1-NE2 2.9Å; D659-H683 PolarHBondContact OD1-NE2 3.32Å; D659-H683 VanDerWaalsContact OD1-NE2 3.16Å; D659-H683 IonicContact OD2-NE2 2.68Å; D659-H683 PolarHBondContact OD2-NE2 3.34Å; V679-H683 HydrophobicContact CG1-CB 3.33Å; E680-H683 PolarHBondContact N-ND1 3.43Å; E680-H683 WeakPolarHBondContact O-CB 3.34Å; E680-H683 PolarHBondContact O-N 3.33Å; P681-H683 VanDerWaalsContact C-N 3.32Å; P681-H683 PolarHBondContact O-N 3.44Å; H683-S685 PolarHBondContact O-N 3.31Å; H683-K686 PolarHBondContact O-N 3.04Å; H683-I687 WeakPolarHBondContact O-CB 3.49Å; H683-I687 WeakPolarHBondContact O-CD1 3.28Å; H683-I687 WeakPolarHBondContact O-CG1 3.48Å; H683-I687 PolarHBondContact O-N 3.22Å
684K91.1Very high90.4Very high8 Ų829 Ų294%0.03514%0.14CC..Hα-helixtrans-58.4-48.7177.2-65-173.6168.2-158.80110.5D351 I624 V679 E680 P681 I687 V688 M700 D707 A710D351-K684 IonicContact OD2-NZ 3.93Å; D351-K684 PolarHBondContact OD2-NZ 3.21Å; I624-K684 HydrophobicContact CG2-CD 4.39Å; I624-K684 HydrophobicContact CG2-CG 4.06Å; V679-K684 HydrophobicContact CG1-CG 4.11Å; E680-K684 PolarHBondContact O-N 2.99Å; P681-K684 WeakPolarHBondContact O-CB 2.98Å; P681-K684 PolarHBondContact O-N 2.84Å; K684-I687 PolarHBondContact O-N 3.36Å; K684-V688 WeakPolarHBondContact O-CG2 3.31Å; K684-V688 PolarHBondContact O-N 2.89Å; K684-M700 HydrophobicContact CB-CE 3.95Å; K684-M700 HydrophobicContact CD-CE 3.58Å; K684-M700 HydrophobicContact CG-CE 3.97Å; K684-D707 WeakPolarHBondContact CD-OD1 3.29Å; K684-D707 VanDerWaalsContact CE-OD1 3.29Å; K684-D707 WeakPolarHBondContact CE-OD1 3.23Å; K684-D707 IonicContact NZ-OD1 3.82Å; K684-D707 PolarHBondContact NZ-OD1 3.41Å; K684-D707 IonicContact NZ-OD2 2.85Å; K684-A710 HydrophobicContact CB-CB 3.5Å; K684-A710 VanDerWaalsContact CB-CB 3.5Å
685S91.1Very high90.3Very high14 Ų1433 Ų3310%0.09816%0.161CC..Hα-helixtrans-68.9-36.9177.357.30000113.4S682 H683 V688 E689S682-S685 PolarHBondContact O-OG 3.46Å; S682-S685 VanDerWaalsContact O-OG 3.06Å; H683-S685 PolarHBondContact O-N 3.31Å; S685-V688 PolarHBondContact O-N 3.45Å; S685-E689 WeakPolarHBondContact O-CB 3.49Å; S685-E689 PolarHBondContact O-N 3.4Å
686K93.3Very high90.2Very high71 Ų7135.7 Ų35.731%0.30917%0.174SC..Hα-helixtrans-62-40.4172.3-78.2179-176.4-179.50112.8D659 S682 H683 V688 E689 Y690D659-K686 IonicContact OD1-NZ 2.75Å; S682-K686 WeakPolarHBondContact O-CB 3.47Å; S682-K686 VanDerWaalsContact O-CG 3.29Å; S682-K686 WeakPolarHBondContact O-CG 3.46Å; S682-K686 PolarHBondContact O-N 3.2Å; H683-K686 PolarHBondContact O-N 3.04Å; K686-V688 VanDerWaalsContact C-N 3.35Å; K686-E689 WeakPolarHBondContact O-CB 3.15Å; K686-E689 PolarHBondContact O-N 3.47Å; K686-Y690 WeakPolarHBondContact O-CD2 3.28Å; K686-Y690 PolarHBondContact O-N 3.2Å
687I95.8Very high90.3Very high1 Ų136.2 Ų36.21%0.00518%0.176CC..Hα-helixtrans-62.2-47.2177.4-71161.1000109.4I624 F676 H683 K684 E689 Y690 L691I624-I687 HydrophobicContact CD1-CD1 4.2Å; F676-I687 HydrophobicContact CB-CD1 4.21Å; F676-I687 HydrophobicContact CD1-CD1 3.94Å; F676-I687 HydrophobicContact CD2-CD1 3.75Å; F676-I687 HydrophobicContact CE1-CD1 4.2Å; F676-I687 HydrophobicContact CE1-CG1 4.43Å; F676-I687 HydrophobicContact CE2-CD1 4.02Å; F676-I687 HydrophobicContact CE2-CG1 4.35Å; F676-I687 HydrophobicContact CE2-CG2 4.41Å; F676-I687 HydrophobicContact CG-CD1 3.7Å; F676-I687 HydrophobicContact CZ-CD1 4.24Å; F676-I687 HydrophobicContact CZ-CG1 4.28Å; H683-I687 WeakPolarHBondContact O-CB 3.49Å; H683-I687 WeakPolarHBondContact O-CD1 3.28Å; H683-I687 WeakPolarHBondContact O-CG1 3.48Å; H683-I687 PolarHBondContact O-N 3.22Å; K684-I687 PolarHBondContact O-N 3.36Å; I687-E689 VanDerWaalsContact C-N 3.34Å; I687-E689 PolarHBondContact O-N 3.43Å; I687-Y690 PolarHBondContact O-N 3.01Å; I687-L691 HydrophobicContact CG2-CD1 3.99Å; I687-L691 HydrophobicContact CG2-CG 4.48Å; I687-L691 VanDerWaalsContact O-CG 3.27Å; I687-L691 WeakPolarHBondContact O-CG 3.16Å; I687-L691 PolarHBondContact O-N 3.47Å
688V95.3Very high90.8Very high0 Ų036.2 Ų36.20%018%0.176CC..Hα-helixtrans-56.6-48.4175173.80000110.6K684 S685 K686 Y690 L691 Q692 T698 M700 K713 A714K684-V688 WeakPolarHBondContact O-CG2 3.31Å; K684-V688 PolarHBondContact O-N 2.89Å; S685-V688 PolarHBondContact O-N 3.45Å; K686-V688 VanDerWaalsContact C-N 3.35Å; V688-Y690 VanDerWaalsContact C-N 3.34Å; V688-Y690 PolarHBondContact O-N 3.05Å; V688-L691 WeakPolarHBondContact O-CB 3.4Å; V688-L691 PolarHBondContact O-N 2.91Å; V688-Q692 HydrophobicContact CG1-CG 4.24Å; V688-Q692 VanDerWaalsContact O-CG 3.29Å; V688-Q692 WeakPolarHBondContact O-CG 3.29Å; V688-Q692 PolarHBondContact O-N 3.44Å; V688-T698 HydrophobicContact CG2-CG2 4.28Å; V688-M700 HydrophobicContact CG2-CB 4.4Å; V688-K713 HydrophobicContact CG1-CB 4.4Å; V688-K713 HydrophobicContact CG1-CG 4.11Å; V688-A714 HydrophobicContact CG1-CB 4.08Å; V688-A714 HydrophobicContact CG2-CB 4.4Å
689E94.3Very high91.5Very high99 Ų9929.2 Ų29.246%0.46315%0.15SC..Hα-helixtrans-57.5-42.4178.2-172.8174.7171.200113.4S685 K686 I687 Q692 S693 K713S685-E689 WeakPolarHBondContact O-CB 3.49Å; S685-E689 PolarHBondContact O-N 3.4Å; K686-E689 WeakPolarHBondContact O-CB 3.15Å; K686-E689 PolarHBondContact O-N 3.47Å; I687-E689 VanDerWaalsContact C-N 3.34Å; I687-E689 PolarHBondContact O-N 3.43Å; E689-Q692 PolarHBondContact O-N 3.31Å; E689-S693 PolarHBondContact O-N 3.45Å; E689-K713 IonicContact OE1-NZ 3.55Å; E689-K713 IonicContact OE2-NZ 3.4Å; E689-K713 PolarHBondContact OE2-NZ 3.34Å
690Y96.9Very high92.1Very high35 Ų3528.7 Ų28.714%0.13715%0.147CC..Hα-helixtrans-67.5-36.8176.3-73.2-52.4000112.3F658 L663 Q666 R667 K686 I687 V688 S693 F694F658-Y690 HydrophobicContact CE1-CE2 4.29Å; F658-Y690 AromaticContact CZ-CD2 3.92Å; F658-Y690 HydrophobicContact CZ-CD2 3.92Å; F658-Y690 AromaticContact CZ-CE2 3.77Å; F658-Y690 HydrophobicContact CZ-CE2 3.77Å; L663-Y690 VanDerWaalsContact CD2-OH 3.26Å; L663-Y690 WeakPolarHBondContact CD2-OH 3.32Å; Q666-Y690 HydrophobicContact CB-CE2 3.75Å; Q666-Y690 PolarHBondContact OE1-OH 2.87Å; R667-Y690 HydrophobicContact CB-CD1 3.65Å; R667-Y690 HydrophobicContact CB-CE1 3.9Å; R667-Y690 HydrophobicContact CB-CG 4.32Å; R667-Y690 HydrophobicContact CG-CD1 3.87Å; K686-Y690 WeakPolarHBondContact O-CD2 3.28Å; K686-Y690 PolarHBondContact O-N 3.2Å; I687-Y690 PolarHBondContact O-N 3.01Å; V688-Y690 VanDerWaalsContact C-N 3.34Å; V688-Y690 PolarHBondContact O-N 3.05Å; Y690-S693 WeakPolarHBondContact O-CB 3.38Å; Y690-S693 PolarHBondContact O-N 3.17Å; Y690-S693 PolarHBondContact O-OG 2.76Å; Y690-F694 WeakPolarHBondContact O-CD2 3.35Å
691L96.7Very high92.9Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-65.2-44.8175-65.2170000111.2V347 C349 I622 C670 I687 V688 S693 F694 E696 T698V347-L691 HydrophobicContact CB-CD1 4.45Å; V347-L691 HydrophobicContact CG1-CD1 3.88Å; V347-L691 HydrophobicContact CG1-CD2 4.41Å; V347-L691 HydrophobicContact CG2-CD2 4.38Å; C349-L691 VanDerWaalsContact SG-CD1 3.59Å; I622-L691 HydrophobicContact CD1-CD1 4.2Å; I622-L691 HydrophobicContact CD1-CD2 4.38Å; C670-L691 HydrophobicContact CB-CD2 4.5Å; I687-L691 HydrophobicContact CG2-CD1 3.99Å; I687-L691 HydrophobicContact CG2-CG 4.48Å; I687-L691 VanDerWaalsContact O-CG 3.27Å; I687-L691 WeakPolarHBondContact O-CG 3.16Å; I687-L691 PolarHBondContact O-N 3.47Å; V688-L691 WeakPolarHBondContact O-CB 3.4Å; V688-L691 PolarHBondContact O-N 2.91Å; L691-S693 PolarHBondContact O-N 3.15Å; L691-F694 WeakPolarHBondContact O-CB 3.32Å; L691-F694 PolarHBondContact O-N 3.11Å; L691-E696 HydrophobicContact CB-CB 4.41Å; L691-E696 WeakPolarHBondContact O-CB 3.32Å; L691-E696 PolarHBondContact O-N 3.2Å; L691-T698 VanDerWaalsContact CB-OG1 3.32Å; L691-T698 WeakPolarHBondContact CB-OG1 3.33Å; L691-T698 HydrophobicContact CD1-CG2 3.69Å
692Q93.6Very high93.5Very high40 Ų4027.2 Ų27.219%0.18714%0.139CC..Hα-helixtrans-57-37.3173.9-70.5176.7-42.300112.1V688 E689 F694 D695 K713 E715V688-Q692 HydrophobicContact CG1-CG 4.24Å; V688-Q692 VanDerWaalsContact O-CG 3.29Å; V688-Q692 WeakPolarHBondContact O-CG 3.29Å; V688-Q692 PolarHBondContact O-N 3.44Å; E689-Q692 PolarHBondContact O-N 3.31Å; Q692-F694 PolarHBondContact O-N 2.92Å; Q692-D695 WeakPolarHBondContact O-CA 3.43Å; Q692-D695 PolarHBondContact O-N 3.38Å; Q692-K713 PolarHBondContact NE2-O 3.1Å; Q692-E715 VanDerWaalsContact CG-OE1 3.23Å; Q692-E715 WeakPolarHBondContact CG-OE1 3.21Å; Q692-E715 PolarHBondContact NE2-OE1 3.15Å
693S94.7Very high93.5Very high53 Ų5326.4 Ų26.437%0.37113%0.132SC..THydrogen-bonded Turntrans-65.6-6.6175.9850000114.9R667 E689 Y690 L691R667-S693 PolarHBondContact NE-OG 2.77Å; R667-S693 PolarHBondContact NH2-O 2.79Å; E689-S693 PolarHBondContact O-N 3.45Å; Y690-S693 WeakPolarHBondContact O-CB 3.38Å; Y690-S693 PolarHBondContact O-N 3.17Å; Y690-S693 PolarHBondContact O-OG 2.76Å; L691-S693 PolarHBondContact O-N 3.15Å
694F95.1Very high93.1Very high43 Ų4326.2 Ų26.219%0.18913%0.132CC..THydrogen-bonded Turntrans-105.910.2170.7-66.8-74000112.8R667 R671 Y690 L691 Q692 E696R667-F694 HydrophobicContact CG-CE2 3.6Å; R667-F694 HydrophobicContact CG-CZ 3.58Å; R667-F694 WeakPolarHBondContact O-CE2 3.31Å; R671-F694 HydrophobicContact CB-CE2 4.04Å; R671-F694 HydrophobicContact CB-CZ 4.08Å; R671-F694 HydrophobicContact CG-CZ 4.42Å; Y690-F694 WeakPolarHBondContact O-CD2 3.35Å; L691-F694 WeakPolarHBondContact O-CB 3.32Å; L691-F694 PolarHBondContact O-N 3.11Å; Q692-F694 PolarHBondContact O-N 2.92Å; F694-E696 HydrophobicContact CB-CG 3.85Å; F694-E696 PolarHBondContact O-N 3.32Å
695D93Very high92.7Very high90 Ų9025.8 Ų25.848%0.48113%0.13SC..THydrogen-bonded Turntrans59.727.2-172.1-52.2-53.6000113.1Q692 K825Q692-D695 WeakPolarHBondContact O-CA 3.43Å; Q692-D695 PolarHBondContact O-N 3.38Å; D695-K825 IonicContact OD1-NZ 3.73Å; D695-K825 VanDerWaalsContact OD2-CE 3.27Å; D695-K825 WeakPolarHBondContact OD2-CE 3.26Å; D695-K825 IonicContact OD2-NZ 3.06Å; D695-K825 PolarHBondContact OD2-NZ 3.41Å
696E95.4Very high92.3Very high56 Ų5625.5 Ų25.526%0.26213%0.127SC..  trans-84.8122.2177-62.1-83.3-166.400110.1S346 V347 L691 F694 T698S346-E696 WeakPolarHBondContact CB-OE2 3.49Å; S346-E696 WeakPolarHBondContact OG-CA 3.49Å; S346-E696 PolarHBondContact OG-OE2 2.78Å; V347-E696 HydrophobicContact CG2-CB 4.14Å; V347-E696 HydrophobicContact CG2-CG 4.38Å; L691-E696 HydrophobicContact CB-CB 4.41Å; L691-E696 WeakPolarHBondContact O-CB 3.32Å; L691-E696 PolarHBondContact O-N 3.2Å; F694-E696 HydrophobicContact CB-CG 3.85Å; F694-E696 PolarHBondContact O-N 3.32Å; E696-T698 PolarHBondContact O-N 3.32Å; E696-T698 PolarHBondContact O-OG1 3.3Å
697I95.8Very high92Very high13 Ų1322.1 Ų22.17%0.06711%0.112CC..  trans-75.1109.7174.8-55.9-61000108.3P248 T341 C344 S346 V347 E715 P824P248-I697 HydrophobicContact CG-CD1 4Å; T341-I697 HydrophobicContact CG2-CG2 3.82Å; C344-I697 HydrophobicContact CB-CG1 4.14Å; C344-I697 HydrophobicContact CB-CG2 4.48Å; C344-I697 WeakPolarHBondContact O-CB 3.47Å; S346-I697 PolarHBondContact N-O 2.84Å; S346-I697 PolarHBondContact OG-N 2.84Å; S346-I697 VanDerWaalsContact OG-N 3.16Å; S346-I697 PolarHBondContact OG-O 3.28Å; V347-I697 PolarHBondContact N-O 2.84Å; I697-E715 HydrophobicContact CD1-CG 4.08Å; I697-E715 HydrophobicContact CG2-CB 3.93Å; I697-E715 HydrophobicContact CG2-CG 4.18Å; I697-P824 HydrophobicContact CD1-CB 4.28Å; I697-P824 HydrophobicContact CD1-CG 3.69Å; I697-P824 HydrophobicContact CG1-CG 3.59Å
698T96.6Very high91.6Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-103.7124.4-169.3-570000110.3V347 V688 L691 E696 E715 I716V347-T698 WeakPolarHBondContact O-CA 3.3Å; V688-T698 HydrophobicContact CG2-CG2 4.28Å; L691-T698 VanDerWaalsContact CB-OG1 3.32Å; L691-T698 WeakPolarHBondContact CB-OG1 3.33Å; L691-T698 HydrophobicContact CD1-CG2 3.69Å; E696-T698 PolarHBondContact O-N 3.32Å; E696-T698 PolarHBondContact O-OG1 3.3Å; T698-E715 PolarHBondContact N-OE2 2.76Å; T698-E715 PolarHBondContact O-N 2.99Å; T698-I716 PolarHBondContact O-N 2.79Å
699A96.8Very high91.3Very high1 Ų122.1 Ų22.11%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-94.9130.2164.700000109.7T345 V347 I348 C349 I716 I718T345-A699 HydrophobicContact CG2-CB 3.72Å; V347-A699 PolarHBondContact O-N 2.9Å; I348-A699 CarbonylContact C-O 3.55Å; I348-A699 WeakPolarHBondContact CA-O 3.33Å; I348-A699 HydrophobicContact CG1-CB 4.24Å; C349-A699 PolarHBondContact N-O 3.38Å; A699-I716 CarbonylContact C-O 3.5Å; A699-I716 WeakPolarHBondContact CA-O 3.39Å; A699-I716 HydrophobicContact CB-CB 4.08Å; A699-I716 HydrophobicContact CB-CG2 4.32Å; A699-I718 HydrophobicContact CB-CD1 4Å
700M95.7Very high91.2Very high0 Ų017.4 Ų17.40%09%0.09CC..EExtended strand (participates in β ladder)trans-116.4128.3177.3179.163-172.900109.6C349 I624 K684 V688 A710 L711 A714 I716 I718C349-M700 HydrophobicContact CB-SD 3.43Å; C349-M700 WeakPolarHBondContact CB-SD 3.15Å; C349-M700 CarbonylContact O-C 3.58Å; C349-M700 WeakPolarHBondContact O-CA 3.17Å; I624-M700 HydrophobicContact CD1-CE 4.08Å; I624-M700 HydrophobicContact CD1-SD 4.07Å; K684-M700 HydrophobicContact CB-CE 3.95Å; K684-M700 HydrophobicContact CD-CE 3.58Å; K684-M700 HydrophobicContact CG-CE 3.97Å; V688-M700 HydrophobicContact CG2-CB 4.4Å; M700-A710 HydrophobicContact CE-CB 4.2Å; M700-A710 HydrophobicContact CG-CB 4.02Å; M700-L711 HydrophobicContact CG-CD2 4.33Å; M700-L711 WeakPolarHBondContact O-CD2 3.38Å; M700-A714 HydrophobicContact CB-CB 3.61Å; M700-I716 PolarHBondContact N-O 2.96Å; M700-I718 PolarHBondContact O-N 3.05Å
701T92.9Very high91Very high0 Ų015.7 Ų15.70%08%0.084CC..EExtended strand (participates in β ladder)trans-100.8142.7173.682.30000111.5C349 S350 D351 T355 I718 I743C349-T701 PolarHBondContact O-N 3.47Å; S350-T701 WeakPolarHBondContact CA-OG1 3.17Å; S350-T701 PolarHBondContact OG-OG1 3.48Å; D351-T701 PolarHBondContact N-OG1 2.98Å; T355-T701 HydrophobicContact CG2-CG2 4.39Å; T701-I718 CarbonylContact C-O 3.13Å; T701-I718 WeakPolarHBondContact CA-O 3.44Å; T701-I718 HydrophobicContact CG2-CB 4.1Å; T701-I718 HydrophobicContact CG2-CD1 4.38Å; T701-I718 HydrophobicContact CG2-CG2 4.37Å; T701-I743 HydrophobicContact CG2-CD1 3.54Å
702G87.1Confident90.6Very high0 Ų017.9 Ų17.90%09%0.093CC..EExtended strand (participates in β ladder)trans-159.6162.4175.200000113D707 I718 A719 M720G702-D707 WeakPolarHBondContact CA-OD2 3.38Å; G702-I718 PolarHBondContact N-O 3.04Å; G702-A719 VanDerWaalsContact O-CA 3.29Å; G702-A719 WeakPolarHBondContact O-CA 3.31Å; G702-M720 PolarHBondContact O-N 2.83Å; G702-M720 VanDerWaalsContact O-N 3.17Å
703D83.3Confident90.5Very high23 Ų2318.4 Ų18.412%0.12310%0.095CC..  trans-128.7-21.317972.3-31.4000112.5D707 M720 T724 A727D703-D707 PolarHBondContact N-OD2 2.69Å; D703-M720 HydrophobicContact CB-CB 3.86Å; D703-M720 HydrophobicContact CB-CG 3.65Å; D703-T724 WeakPolarHBondContact O-CB 3.35Å; D703-T724 WeakPolarHBondContact O-CG2 3.28Å; D703-T724 PolarHBondContact O-N 3.19Å; D703-T724 PolarHBondContact O-OG1 2.92Å; D703-A727 WeakPolarHBondContact O-CB 3.16Å
704G80.8Confident90.4Very high3 Ų316 Ų163%0.0318%0.078CC..SBendtrans-102.7171-175.800000114.9N706 D707G704-N706 WeakPolarHBondContact CA-OD1 3.41Å; G704-N706 PolarHBondContact O-N 3.47Å; G704-D707 PolarHBondContact N-OD2 2.9Å; G704-D707 PolarHBondContact O-N 3.12Å; G704-D707 VanDerWaalsContact O-N 3.16Å
705V83.1Confident90.3Very high0 Ų016 Ų160%08%0.079CC..G310 helixtrans-66.6-30.9175.1176.80000110.8L119 Y122 I179 I235 D707 A708 V726L119-V705 HydrophobicContact CD2-CG1 3.5Å; L119-V705 VanDerWaalsContact CD2-CG1 3.5Å; Y122-V705 HydrophobicContact CD2-CG2 4.41Å; Y122-V705 HydrophobicContact CE2-CG2 4Å; I179-V705 HydrophobicContact CB-CB 4.27Å; I179-V705 HydrophobicContact CB-CG2 4.03Å; I179-V705 HydrophobicContact CG2-CG2 4.31Å; I179-V705 VanDerWaalsContact O-CB 3.28Å; I179-V705 WeakPolarHBondContact O-CB 3.3Å; I179-V705 PolarHBondContact O-N 3.44Å; I235-V705 HydrophobicContact CD1-CG1 4.39Å; I235-V705 HydrophobicContact CG2-CG1 4.15Å; V705-D707 PolarHBondContact O-N 3.3Å; V705-D707 VanDerWaalsContact O-N 3.16Å; V705-A708 WeakPolarHBondContact O-CB 3.37Å; V705-A708 PolarHBondContact O-N 3.46Å; V705-V726 HydrophobicContact CB-CG1 4.4Å; V705-V726 HydrophobicContact CG1-CG1 4.16Å; V705-V726 HydrophobicContact CG2-CB 3.97Å; V705-V726 HydrophobicContact CG2-CG1 4.13Å; V705-V726 HydrophobicContact CG2-CG2 4.24Å
706N81.8Confident90.4Very high7 Ų711.7 Ų11.74%0.0376%0.056CC..G310 helixtrans-59.1-20.2172.455.6-72.1000114.6I179 L180 P681 G704I179-N706 PolarHBondContact O-N 3.08Å; I179-N706 PolarHBondContact O-OD1 3.09Å; L180-N706 VanDerWaalsContact O-CB 3.32Å; L180-N706 WeakPolarHBondContact O-CB 3.23Å; P681-N706 HydrophobicContact CB-CB 4.21Å; P681-N706 WeakPolarHBondContact CB-O 3.37Å; P681-N706 HydrophobicContact CG-CB 3.82Å; G704-N706 WeakPolarHBondContact CA-OD1 3.41Å; G704-N706 PolarHBondContact O-N 3.47Å
707D88.1Confident90.4Very high0 Ų09 Ų90%04%0.043CC..G310 helixtrans-93-18.4-179.2-57.3-34000112.3K684 G702 D703 G704 V705 P709 A710 L711K684-D707 WeakPolarHBondContact CD-OD1 3.29Å; K684-D707 VanDerWaalsContact CE-OD1 3.29Å; K684-D707 WeakPolarHBondContact CE-OD1 3.23Å; K684-D707 IonicContact NZ-OD1 3.82Å; K684-D707 PolarHBondContact NZ-OD1 3.41Å; K684-D707 IonicContact NZ-OD2 2.85Å; G702-D707 WeakPolarHBondContact CA-OD2 3.38Å; D703-D707 PolarHBondContact N-OD2 2.69Å; G704-D707 PolarHBondContact N-OD2 2.9Å; G704-D707 PolarHBondContact O-N 3.12Å; G704-D707 VanDerWaalsContact O-N 3.16Å; V705-D707 PolarHBondContact O-N 3.3Å; V705-D707 VanDerWaalsContact O-N 3.16Å; D707-P709 VanDerWaalsContact C-CD 3.47Å; D707-A710 CarbonylContact O-C 3.56Å; D707-A710 WeakPolarHBondContact O-CA 3.16Å; D707-A710 PolarHBondContact O-N 3.42Å; D707-L711 HydrophobicContact CB-CD1 3.91Å; D707-L711 HydrophobicContact CB-CG 4.1Å; D707-L711 WeakPolarHBondContact O-CG 3.33Å; D707-L711 PolarHBondContact O-N 3Å
708A87.8Confident90.4Very high0 Ų08.4 Ų8.40%04%0.04CC..Hα-helixtrans-54.8-40.1-172.800000114.2M239 V705 A710 L711 K712 V726 A730M239-A708 HydrophobicContact CE-CB 3.91Å; M239-A708 HydrophobicContact CG-CB 4.38Å; M239-A708 HydrophobicContact SD-CB 3.43Å; M239-A708 WeakPolarHBondContact SD-CB 3.36Å; V705-A708 WeakPolarHBondContact O-CB 3.37Å; V705-A708 PolarHBondContact O-N 3.46Å; A708-A710 VanDerWaalsContact C-N 3.35Å; A708-A710 PolarHBondContact O-N 3.14Å; A708-L711 PolarHBondContact O-N 3.48Å; A708-K712 WeakPolarHBondContact O-CB 3.47Å; A708-K712 PolarHBondContact O-N 3.24Å; A708-V726 HydrophobicContact CB-CG1 3.82Å; A708-A730 HydrophobicContact CB-CB 3.85Å
709P88.6Confident90.2Very high1 Ų18.4 Ų8.41%0.0064%0.04CC..Hα-helixtrans-63.8-38.5174.3-23.335.4000113.2I235 Q238 M239 D707 K713I235-P709 HydrophobicContact CB-CG 4.38Å; I235-P709 HydrophobicContact CG1-CG 4.44Å; I235-P709 HydrophobicContact CG2-CG 3.78Å; Q238-P709 HydrophobicContact CB-CB 4.1Å; Q238-P709 HydrophobicContact CB-CG 4.3Å; M239-P709 HydrophobicContact CG-CG 4.24Å; D707-P709 VanDerWaalsContact C-CD 3.47Å; P709-K713 WeakPolarHBondContact O-CB 3.44Å; P709-K713 PolarHBondContact O-N 3.3Å; P709-K713 VanDerWaalsContact O-N 3.12Å
710A91.6Very high89.8Confident0 Ų08.3 Ų8.30%04%0.04CC..Hα-helixtrans-77.7-35.2-179.700000112K684 M700 D707 A708 K713 A714K684-A710 HydrophobicContact CB-CB 3.5Å; K684-A710 VanDerWaalsContact CB-CB 3.5Å; M700-A710 HydrophobicContact CE-CB 4.2Å; M700-A710 HydrophobicContact CG-CB 4.02Å; D707-A710 CarbonylContact O-C 3.56Å; D707-A710 WeakPolarHBondContact O-CA 3.16Å; D707-A710 PolarHBondContact O-N 3.42Å; A708-A710 VanDerWaalsContact C-N 3.35Å; A708-A710 PolarHBondContact O-N 3.14Å; A710-K713 PolarHBondContact O-N 3.3Å; A710-A714 WeakPolarHBondContact O-CB 3.39Å; A710-A714 PolarHBondContact O-N 3.12Å
711L92Very high89.3Confident0 Ų09.4 Ų9.40%05%0.051CC..Hα-helixtrans-60.8-50.2173.4-71.2172.4000110.7M700 D707 A708 K713 A714 G717 I718 A727 A730M700-L711 HydrophobicContact CG-CD2 4.33Å; M700-L711 WeakPolarHBondContact O-CD2 3.38Å; D707-L711 HydrophobicContact CB-CD1 3.91Å; D707-L711 HydrophobicContact CB-CG 4.1Å; D707-L711 WeakPolarHBondContact O-CG 3.33Å; D707-L711 PolarHBondContact O-N 3Å; A708-L711 PolarHBondContact O-N 3.48Å; L711-K713 VanDerWaalsContact C-N 3.32Å; L711-K713 PolarHBondContact O-N 2.87Å; L711-A714 PolarHBondContact O-N 3.46Å; L711-G717 WeakPolarHBondContact O-CA 3.4Å; L711-I718 WeakPolarHBondContact CD2-O 3.49Å; L711-A727 HydrophobicContact CD1-CB 3.93Å; L711-A730 CarbonylContact C-O 3.58Å; L711-A730 HydrophobicContact CB-CB 4.29Å; L711-A730 WeakPolarHBondContact CB-O 3.43Å
712K88.9Confident88.7Confident45 Ų4513.5 Ų13.520%0.1968%0.079CC..Hα-helixtrans-67-32.3178.9-171.5175.8178.9-1710112.9M239 T242 A708 A730M239-K712 HydrophobicContact CB-CD 4.35Å; M239-K712 WeakPolarHBondContact O-CD 3.36Å; M239-K712 WeakPolarHBondContact O-CE 3.47Å; M239-K712 PolarHBondContact O-NZ 3.11Å; T242-K712 HydrophobicContact CG2-CG 4.28Å; T242-K712 WeakPolarHBondContact O-CE 3.44Å; T242-K712 PolarHBondContact O-NZ 2.64Å; A708-K712 WeakPolarHBondContact O-CB 3.47Å; A708-K712 PolarHBondContact O-N 3.24Å; K712-A730 PolarHBondContact N-O 2.86Å
713K91.2Very high88.3Confident52 Ų5213.9 Ų13.923%0.2268%0.084CC..Hα-helixtrans-77.4-31.3-179.4-170.8165.8-170.4166.10113T242 V688 E689 Q692 P709 A710 L711T242-K713 HydrophobicContact CG2-CB 3.82Å; T242-K713 HydrophobicContact CG2-CG 4.15Å; V688-K713 HydrophobicContact CG1-CB 4.4Å; V688-K713 HydrophobicContact CG1-CG 4.11Å; E689-K713 IonicContact OE1-NZ 3.55Å; E689-K713 IonicContact OE2-NZ 3.4Å; E689-K713 PolarHBondContact OE2-NZ 3.34Å; Q692-K713 PolarHBondContact NE2-O 3.1Å; P709-K713 WeakPolarHBondContact O-CB 3.44Å; P709-K713 PolarHBondContact O-N 3.3Å; P709-K713 VanDerWaalsContact O-N 3.12Å; A710-K713 PolarHBondContact O-N 3.3Å; L711-K713 VanDerWaalsContact C-N 3.32Å; L711-K713 PolarHBondContact O-N 2.87Å
714A93.8Very high88.3Confident2 Ų214.2 Ų14.22%0.0179%0.086CC..SBendtrans-67.6150.4177.500000110.8V688 M700 A710 L711 I716V688-A714 HydrophobicContact CG1-CB 4.08Å; V688-A714 HydrophobicContact CG2-CB 4.4Å; M700-A714 HydrophobicContact CB-CB 3.61Å; A710-A714 WeakPolarHBondContact O-CB 3.39Å; A710-A714 PolarHBondContact O-N 3.12Å; L711-A714 PolarHBondContact O-N 3.46Å; A714-I716 PolarHBondContact O-N 3.47Å
715E93.1Very high88.4Confident42 Ų4216 Ų1620%0.19610%0.101CC..SBendtrans-61.2-31.7173.7-69.772.8-152.800111.6T341 Q692 I697 T698T341-E715 HydrophobicContact CG2-CB 3.8Å; Q692-E715 VanDerWaalsContact CG-OE1 3.23Å; Q692-E715 WeakPolarHBondContact CG-OE1 3.21Å; Q692-E715 PolarHBondContact NE2-OE1 3.15Å; I697-E715 HydrophobicContact CD1-CG 4.08Å; I697-E715 HydrophobicContact CG2-CB 3.93Å; I697-E715 HydrophobicContact CG2-CG 4.18Å; T698-E715 PolarHBondContact N-OE2 2.76Å; T698-E715 PolarHBondContact O-N 2.99Å
716I94.4Very high88.4Confident0 Ų016 Ų160%010%0.101CC..EExtended strand (participates in β ladder)trans-131.997.9173.2-56.4-70.7000109.7S338 T341 L342 T698 A699 M700 A714 I718S338-I716 VanDerWaalsContact O-CD1 3.3Å; S338-I716 WeakPolarHBondContact O-CD1 3.34Å; T341-I716 HydrophobicContact CG2-CD1 3.71Å; T341-I716 HydrophobicContact CG2-CG1 3.83Å; L342-I716 HydrophobicContact CB-CD1 4.4Å; L342-I716 HydrophobicContact CD1-CD1 4.06Å; L342-I716 HydrophobicContact CD1-CG1 4.45Å; L342-I716 HydrophobicContact CD1-CG2 3.72Å; L342-I716 HydrophobicContact CG-CD1 4.39Å; L342-I716 HydrophobicContact CG-CG1 4.46Å; L342-I716 HydrophobicContact CG-CG2 4.26Å; T698-I716 PolarHBondContact O-N 2.79Å; A699-I716 CarbonylContact C-O 3.5Å; A699-I716 WeakPolarHBondContact CA-O 3.39Å; A699-I716 HydrophobicContact CB-CB 4.08Å; A699-I716 HydrophobicContact CB-CG2 4.32Å; M700-I716 PolarHBondContact N-O 2.96Å; A714-I716 PolarHBondContact O-N 3.47Å; I716-I718 HydrophobicContact CG2-CD1 4.06Å; I716-I718 HydrophobicContact CG2-CG1 3.67Å
717G94.7Very high88.7Confident0 Ų015.7 Ų15.70%010%0.099CC..EExtended strand (participates in β ladder)trans-72.8129161.400000111L711 S731 E732 M733L711-G717 WeakPolarHBondContact O-CA 3.4Å; G717-S731 WeakPolarHBondContact O-CB 3.47Å; G717-E732 VanDerWaalsContact CA-OE2 3.27Å; G717-E732 WeakPolarHBondContact CA-OE2 3.41Å; G717-E732 PolarHBondContact N-OE2 2.92Å; G717-E732 PolarHBondContact O-N 3.49Å; G717-M733 PolarHBondContact O-N 3.26Å; G717-M733 VanDerWaalsContact O-N 3.08Å
718I95.5Very high88.7Confident0 Ų018.4 Ų18.40%011%0.111CC..EExtended strand (participates in β ladder)trans-121.2112.3179.8-53.1-178.5000109.4A699 M700 T701 G702 L711 I716 M733 L735 I743A699-I718 HydrophobicContact CB-CD1 4Å; M700-I718 PolarHBondContact O-N 3.05Å; T701-I718 CarbonylContact C-O 3.13Å; T701-I718 WeakPolarHBondContact CA-O 3.44Å; T701-I718 HydrophobicContact CG2-CB 4.1Å; T701-I718 HydrophobicContact CG2-CD1 4.38Å; T701-I718 HydrophobicContact CG2-CG2 4.37Å; G702-I718 PolarHBondContact N-O 3.04Å; L711-I718 WeakPolarHBondContact CD2-O 3.49Å; I716-I718 HydrophobicContact CG2-CD1 4.06Å; I716-I718 HydrophobicContact CG2-CG1 3.67Å; I718-M733 CarbonylContact C-O 3.56Å; I718-M733 VanDerWaalsContact CA-O 3.31Å; I718-M733 WeakPolarHBondContact CA-O 3.44Å; I718-M733 HydrophobicContact CB-CE 4.39Å; I718-M733 HydrophobicContact CD1-CE 3.5Å; I718-M733 VanDerWaalsContact CD1-CE 3.5Å; I718-M733 HydrophobicContact CG1-CE 3.72Å; I718-M733 HydrophobicContact CG2-CE 3.85Å; I718-L735 HydrophobicContact CG2-CD1 3.78Å; I718-L735 HydrophobicContact CG2-CD2 4.01Å; I718-L735 HydrophobicContact CG2-CG 3.63Å; I718-I743 HydrophobicContact CD1-CB 4.49Å; I718-I743 HydrophobicContact CD1-CD1 4.02Å; I718-I743 HydrophobicContact CD1-CG1 4.06Å; I718-I743 HydrophobicContact CD1-CG2 3.69Å; I718-I743 HydrophobicContact CG2-CD1 4.3Å; I718-I743 HydrophobicContact CG2-CG1 4.32Å
719A92.4Very high88.5Confident0 Ų019.8 Ų19.80%012%0.119CC..EExtended strand (participates in β ladder)trans-96.2151.5175.600000113.1G702 A727 K728 S731 M733 V734 L735G702-A719 VanDerWaalsContact O-CA 3.29Å; G702-A719 WeakPolarHBondContact O-CA 3.31Å; A719-A727 HydrophobicContact CB-CB 4.25Å; A719-A727 WeakPolarHBondContact CB-O 3.41Å; A719-K728 VanDerWaalsContact CB-CA 3.48Å; A719-K728 HydrophobicContact CB-CB 4.28Å; A719-K728 HydrophobicContact CB-CG 3.92Å; A719-S731 WeakPolarHBondContact CB-OG 3.27Å; A719-M733 PolarHBondContact N-O 2.91Å; A719-V734 HydrophobicContact CB-CG2 4.33Å; A719-V734 CarbonylContact O-C 3.55Å; A719-V734 WeakPolarHBondContact O-CA 3.37Å; A719-L735 PolarHBondContact O-N 3.06Å
720M89.2Confident88.4Confident0 Ų019.9 Ų19.90%012%0.121CC..EExtended strand (participates in β ladder)trans-76.2141170.8-53.9-51.2-74.700110.9G354 T355 G702 D703 S722 G723 K728 L735 D738G354-M720 WeakPolarHBondContact O-CE 3.5Å; T355-M720 HydrophobicContact CG2-CE 3.95Å; T355-M720 HydrophobicContact CG2-SD 3.78Å; T355-M720 PolarHBondContact OG1-SD 2.81Å; G702-M720 PolarHBondContact O-N 2.83Å; G702-M720 VanDerWaalsContact O-N 3.17Å; D703-M720 HydrophobicContact CB-CB 3.86Å; D703-M720 HydrophobicContact CB-CG 3.65Å; M720-S722 VanDerWaalsContact C-N 3.3Å; M720-S722 PolarHBondContact O-N 2.94Å; M720-G723 WeakPolarHBondContact O-CA 3.32Å; M720-G723 PolarHBondContact O-N 3.04Å; M720-K728 WeakPolarHBondContact O-CE 3.46Å; M720-L735 HydrophobicContact SD-CD1 4.01Å; M720-D738 WeakPolarHBondContact CB-OD1 3.49Å; M720-D738 VanDerWaalsContact CE-C 3.47Å; M720-D738 HydrophobicContact CE-CB 3.44Å; M720-D738 VanDerWaalsContact CE-CB 3.44Å; M720-D738 VanDerWaalsContact CE-O 3.27Å; M720-D738 WeakPolarHBondContact CE-O 3.42Å
721G85.9Confident88.3Confident23 Ų2320 Ų2024%0.23712%0.122CC..THydrogen-bonded Turntrans-64.3-32.1174.500000112.6G723 K728 L735 D738G721-G723 VanDerWaalsContact C-N 3.29Å; G721-K728 WeakPolarHBondContact O-CE 2.96Å; G721-K728 PolarHBondContact O-NZ 2.8Å; G721-L735 WeakPolarHBondContact CA-O 3.27Å; G721-L735 PolarHBondContact N-O 3.46Å; G721-D738 WeakPolarHBondContact CA-OD1 3.48Å; G721-D738 PolarHBondContact N-OD1 3.18Å
722S80.4Confident88.3Confident85 Ų8520.7 Ų20.759%0.59413%0.125SC*.THydrogen-bonded Turntrans-80.4-9167.3700000113.9M720 D738M720-S722 VanDerWaalsContact C-N 3.3Å; M720-S722 PolarHBondContact O-N 2.94Å; S722-D738 WeakPolarHBondContact CB-OD2 3.37Å; S722-D738 PolarHBondContact N-OD1 3.46Å; S722-D738 PolarHBondContact N-OD2 3.49Å; S722-D738 PolarHBondContact OG-OD2 3.3Å; S722-D738 VanDerWaalsContact OG-OD2 3.07Å
723G78.3Confident88.5Confident9 Ų918.5 Ų18.59%0.09312%0.115CC..SBendtrans-67.7169.9-176.300000113.9M720 G721 K728M720-G723 WeakPolarHBondContact O-CA 3.32Å; M720-G723 PolarHBondContact O-N 3.04Å; G721-G723 VanDerWaalsContact C-N 3.29Å; G723-K728 WeakPolarHBondContact O-CE 3.26Å; G723-K728 PolarHBondContact O-NZ 2.92Å
724T82.2Confident88.6Confident29 Ų2916.6 Ų16.618%0.17811%0.108CC..  trans-59.3151.7177.760.50000111.6Y122 D703 V726 A727 K728Y122-T724 WeakPolarHBondContact OH-CB 3.36Å; D703-T724 WeakPolarHBondContact O-CB 3.35Å; D703-T724 WeakPolarHBondContact O-CG2 3.28Å; D703-T724 PolarHBondContact O-N 3.19Å; D703-T724 PolarHBondContact O-OG1 2.92Å; T724-V726 PolarHBondContact O-N 3.27Å; T724-A727 PolarHBondContact O-N 2.66Å; T724-A727 WeakPolarHBondContact OG1-CB 3.34Å; T724-A727 PolarHBondContact OG1-N 3.39Å; T724-K728 WeakPolarHBondContact O-CG 3.42Å; T724-K728 PolarHBondContact O-N 3.24Å
725A82.6Confident88.6Confident41 Ų4116.5 Ų16.534%0.33911%0.107SC..Hα-helixtrans-58.4-36.7175.700000111.4K728 T729A725-K728 PolarHBondContact O-N 3.47Å; A725-T729 WeakPolarHBondContact O-CG2 3.45Å; A725-T729 PolarHBondContact O-N 3.49Å; A725-T729 PolarHBondContact O-OG1 2.86Å
726V84.4Confident88.4Confident0 Ų017 Ų170%012%0.118CC..Hα-helixtrans-63.8-45.6177.4172.30000112.5A118 L119 Y122 V705 A708 T724 K728 T729 A730A118-V726 VanDerWaalsContact C-CG2 3.45Å; A118-V726 HydrophobicContact CB-CG2 3.82Å; A118-V726 WeakPolarHBondContact O-CG2 3.02Å; L119-V726 HydrophobicContact CB-CG2 4.42Å; L119-V726 HydrophobicContact CD1-CG1 4.48Å; L119-V726 HydrophobicContact CD2-CG1 4.09Å; L119-V726 HydrophobicContact CD2-CG2 4.25Å; L119-V726 HydrophobicContact CG-CG1 3.88Å; L119-V726 HydrophobicContact CG-CG2 3.92Å; Y122-V726 HydrophobicContact CD2-CG2 4.02Å; Y122-V726 HydrophobicContact CE2-CB 4.47Å; Y122-V726 HydrophobicContact CE2-CG2 3.57Å; V705-V726 HydrophobicContact CB-CG1 4.4Å; V705-V726 HydrophobicContact CG1-CG1 4.16Å; V705-V726 HydrophobicContact CG2-CB 3.97Å; V705-V726 HydrophobicContact CG2-CG1 4.13Å; V705-V726 HydrophobicContact CG2-CG2 4.24Å; A708-V726 HydrophobicContact CB-CG1 3.82Å; T724-V726 PolarHBondContact O-N 3.27Å; V726-K728 VanDerWaalsContact C-N 3.31Å; V726-K728 PolarHBondContact O-N 2.93Å; V726-T729 WeakPolarHBondContact CA-OG1 3.46Å; V726-T729 PolarHBondContact O-N 2.86Å; V726-T729 PolarHBondContact O-OG1 3.18Å; V726-A730 WeakPolarHBondContact O-CB 3.45Å; V726-A730 PolarHBondContact O-N 2.63Å
727A86.9Confident88.1Confident0 Ų019.5 Ų19.50%013%0.132CC..Hα-helixtrans-59.8-45.3175.600000110.8D703 L711 A719 T724 T729 A730 S731D703-A727 WeakPolarHBondContact O-CB 3.16Å; L711-A727 HydrophobicContact CD1-CB 3.93Å; A719-A727 HydrophobicContact CB-CB 4.25Å; A719-A727 WeakPolarHBondContact CB-O 3.41Å; T724-A727 PolarHBondContact O-N 2.66Å; T724-A727 WeakPolarHBondContact OG1-CB 3.34Å; T724-A727 PolarHBondContact OG1-N 3.39Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.37Å; A727-A730 PolarHBondContact O-N 3.16Å; A727-S731 WeakPolarHBondContact O-CB 3.43Å; A727-S731 PolarHBondContact O-N 2.96Å; A727-S731 PolarHBondContact O-OG 3.01Å
728K88.1Confident87.6Confident57 Ų5720.8 Ų20.825%0.24814%0.138CC..Hα-helixtrans-62.7-34.9178.7-66.9170.4-177.2160.70113.4R334 A719 M720 G721 G723 T724 A725 V726 S731 V734R334-K728 WeakPolarHBondContact CD-O 3.4Å; R334-K728 VanDerWaalsContact CZ-O 3.28Å; R334-K728 PolarHBondContact NE-O 3.37Å; R334-K728 VanDerWaalsContact NH1-C 3.26Å; R334-K728 PolarHBondContact NH1-O 3.49Å; A719-K728 VanDerWaalsContact CB-CA 3.48Å; A719-K728 HydrophobicContact CB-CB 4.28Å; A719-K728 HydrophobicContact CB-CG 3.92Å; M720-K728 WeakPolarHBondContact O-CE 3.46Å; G721-K728 WeakPolarHBondContact O-CE 2.96Å; G721-K728 PolarHBondContact O-NZ 2.8Å; G723-K728 WeakPolarHBondContact O-CE 3.26Å; G723-K728 PolarHBondContact O-NZ 2.92Å; T724-K728 WeakPolarHBondContact O-CG 3.42Å; T724-K728 PolarHBondContact O-N 3.24Å; A725-K728 PolarHBondContact O-N 3.47Å; V726-K728 VanDerWaalsContact C-N 3.31Å; V726-K728 PolarHBondContact O-N 2.93Å; K728-S731 WeakPolarHBondContact CA-OG 3.35Å; K728-S731 PolarHBondContact O-OG 3.22Å; K728-V734 HydrophobicContact CB-CG2 4.07Å; K728-V734 HydrophobicContact CD-CG1 4.35Å; K728-V734 HydrophobicContact CG-CG1 4.01Å; K728-V734 HydrophobicContact CG-CG2 4.12Å
729T83.3Confident87.1Confident29 Ų2921.7 Ų21.718%0.17814%0.143CC..Hα-helixtrans-80.7-26.8178.652.10000113.2A115 A118 A725 V726 A727 S731A115-T729 WeakPolarHBondContact CA-OG1 3.36Å; A115-T729 WeakPolarHBondContact CB-O 3.02Å; A118-T729 HydrophobicContact CB-CG2 4.31Å; A725-T729 WeakPolarHBondContact O-CG2 3.45Å; A725-T729 PolarHBondContact O-N 3.49Å; A725-T729 PolarHBondContact O-OG1 2.86Å; V726-T729 WeakPolarHBondContact CA-OG1 3.46Å; V726-T729 PolarHBondContact O-N 2.86Å; V726-T729 PolarHBondContact O-OG1 3.18Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.37Å; T729-S731 VanDerWaalsContact C-N 3.28Å
730A86.6Confident86.9Confident4 Ų421.7 Ų21.73%0.03314%0.143CC..SBendtrans-82.81.7172.500000114.2A115 M239 A708 L711 K712 V726 A727A115-A730 HydrophobicContact CB-CB 4.46Å; M239-A730 HydrophobicContact CE-CB 3.83Å; A708-A730 HydrophobicContact CB-CB 3.85Å; L711-A730 CarbonylContact C-O 3.58Å; L711-A730 HydrophobicContact CB-CB 4.29Å; L711-A730 WeakPolarHBondContact CB-O 3.43Å; K712-A730 PolarHBondContact N-O 2.86Å; V726-A730 WeakPolarHBondContact O-CB 3.45Å; V726-A730 PolarHBondContact O-N 2.63Å; A727-A730 PolarHBondContact O-N 3.16Å
731S91Very high86.9Confident3 Ų323.2 Ų23.22%0.02115%0.154CC..  trans-115147.3-175.666.10000112.5R334 G717 A719 A727 K728 T729 M733R334-S731 WeakPolarHBondContact CD-O 3.45Å; G717-S731 WeakPolarHBondContact O-CB 3.47Å; A719-S731 WeakPolarHBondContact CB-OG 3.27Å; A727-S731 WeakPolarHBondContact O-CB 3.43Å; A727-S731 PolarHBondContact O-N 2.96Å; A727-S731 PolarHBondContact O-OG 3.01Å; K728-S731 WeakPolarHBondContact CA-OG 3.35Å; K728-S731 PolarHBondContact O-OG 3.22Å; T729-S731 VanDerWaalsContact C-N 3.28Å; S731-M733 PolarHBondContact OG-O 3.05Å
732E90.8Very high87.3Confident13 Ų1322.5 Ų22.56%0.06115%0.145CC..SBendtrans-78.1-26.2173.4-72.460-123.700112.3Q244 R334 S338 G717Q244-E732 VanDerWaalsContact NE2-CD 3.29Å; Q244-E732 PolarHBondContact NE2-OE1 3.11Å; R334-E732 WeakPolarHBondContact CB-O 3.45Å; R334-E732 PolarHBondContact N-O 3.38Å; S338-E732 VanDerWaalsContact OG-CB 3.31Å; S338-E732 WeakPolarHBondContact OG-CB 3.47Å; S338-E732 WeakPolarHBondContact OG-CG 3.36Å; G717-E732 VanDerWaalsContact CA-OE2 3.27Å; G717-E732 WeakPolarHBondContact CA-OE2 3.41Å; G717-E732 PolarHBondContact N-OE2 2.92Å; G717-E732 PolarHBondContact O-N 3.49Å
733M93.4Very high88Confident0 Ų018.5 Ų18.50%012%0.117CC..EExtended strand (participates in β ladder)trans-135.6142.1-179.5-176.1175.163.900111.7A331 I332 V333 L342 G717 I718 A719 S731 L735 A746A331-M733 HydrophobicContact CB-CG 4.5Å; A331-M733 HydrophobicContact CB-SD 3.86Å; I332-M733 CarbonylContact O-C 3.57Å; I332-M733 WeakPolarHBondContact O-CA 3.27Å; V333-M733 HydrophobicContact CG2-CG 4.41Å; L342-M733 HydrophobicContact CD1-CE 3.84Å; L342-M733 HydrophobicContact CD1-SD 3.77Å; L342-M733 HydrophobicContact CD2-CE 4.33Å; G717-M733 PolarHBondContact O-N 3.26Å; G717-M733 VanDerWaalsContact O-N 3.08Å; I718-M733 CarbonylContact C-O 3.56Å; I718-M733 VanDerWaalsContact CA-O 3.31Å; I718-M733 WeakPolarHBondContact CA-O 3.44Å; I718-M733 HydrophobicContact CB-CE 4.39Å; I718-M733 HydrophobicContact CD1-CE 3.5Å; I718-M733 VanDerWaalsContact CD1-CE 3.5Å; I718-M733 HydrophobicContact CG1-CE 3.72Å; I718-M733 HydrophobicContact CG2-CE 3.85Å; A719-M733 PolarHBondContact N-O 2.91Å; S731-M733 PolarHBondContact OG-O 3.05Å; M733-L735 HydrophobicContact CE-CD2 4.03Å; M733-A746 HydrophobicContact CE-CB 4.39Å; M733-A746 HydrophobicContact SD-CB 3.9Å
734V93.8Very high88.7Confident12 Ų1218.3 Ų18.37%0.07311%0.114CC..EExtended strand (participates in β ladder)trans-119.6128.4174.6-174.40000110.2I332 R334 A719 K728 A736I332-V734 HydrophobicContact CB-CB 4.27Å; I332-V734 PolarHBondContact N-O 3.2Å; I332-V734 PolarHBondContact O-N 3.34Å; R334-V734 HydrophobicContact CG-CG2 4.4Å; A719-V734 HydrophobicContact CB-CG2 4.33Å; A719-V734 CarbonylContact O-C 3.55Å; A719-V734 WeakPolarHBondContact O-CA 3.37Å; K728-V734 HydrophobicContact CB-CG2 4.07Å; K728-V734 HydrophobicContact CD-CG1 4.35Å; K728-V734 HydrophobicContact CG-CG1 4.01Å; K728-V734 HydrophobicContact CG-CG2 4.12Å; V734-A736 PolarHBondContact O-N 3.43Å
735L92.9Very high89.2Confident0 Ų018.2 Ų18.20%012%0.116CC..EExtended strand (participates in β ladder)trans-85.6103.1176.2-55.7179000110I718 A719 M720 G721 M733 D737 D738 T742 I743I718-L735 HydrophobicContact CG2-CD1 3.78Å; I718-L735 HydrophobicContact CG2-CD2 4.01Å; I718-L735 HydrophobicContact CG2-CG 3.63Å; A719-L735 PolarHBondContact O-N 3.06Å; M720-L735 HydrophobicContact SD-CD1 4.01Å; G721-L735 WeakPolarHBondContact CA-O 3.27Å; G721-L735 PolarHBondContact N-O 3.46Å; M733-L735 HydrophobicContact CE-CD2 4.03Å; L735-D737 PolarHBondContact O-N 2.96Å; L735-D737 VanDerWaalsContact O-N 3.14Å; L735-D738 PolarHBondContact O-N 3.11Å; L735-T742 HydrophobicContact CD2-CG2 3.82Å; L735-I743 HydrophobicContact CD1-CD1 3.92Å; L735-I743 HydrophobicContact CD1-CG1 3.66Å; L735-I743 HydrophobicContact CD2-CG1 3.92Å; L735-I743 HydrophobicContact CG-CG1 4.38Å
736A89.8Confident89.8Confident52 Ų5216.4 Ų16.443%0.4310%0.101SC..THydrogen-bonded Turntrans-63.9-21.4-175.800000113.8N330 I332 V734N330-A736 HydrophobicContact CB-CB 4.16Å; N330-A736 WeakPolarHBondContact O-CB 3.32Å; N330-A736 PolarHBondContact O-N 3.09Å; I332-A736 HydrophobicContact CD1-CB 3.94Å; I332-A736 HydrophobicContact CG1-CB 4.27Å; V734-A736 PolarHBondContact O-N 3.43Å
737D87.6Confident90.4Very high52 Ų5216.5 Ų16.528%0.27810%0.102SC..THydrogen-bonded Turntrans-110.86.2-178.163.8-4.8000114.2N330 L735 N739 T742N330-D737 HydrophobicContact CB-CB 4.04Å; N330-D737 PolarHBondContact ND2-OD2 3.18Å; L735-D737 PolarHBondContact O-N 2.96Å; L735-D737 VanDerWaalsContact O-N 3.14Å; D737-N739 PolarHBondContact O-N 2.89Å; D737-N739 WeakPolarHBondContact OD1-CB 3.11Å; D737-N739 PolarHBondContact OD1-N 3.5Å; D737-T742 PolarHBondContact OD1-OG1 3.1Å; D737-T742 VanDerWaalsContact OD1-OG1 3.05Å; D737-T742 PolarHBondContact OD2-OG1 3.37Å
738D84.8Confident90.7Very high27 Ų2720.1 Ų20.114%0.14412%0.119CC..  trans55.728.2-178.8-57.4-37.6000114.1R604 M720 G721 S722 L735R604-D738 PolarHBondContact NE-O 3.15Å; R604-D738 VanDerWaalsContact NE-O 3.09Å; R604-D738 PolarHBondContact NH2-O 2.7Å; M720-D738 WeakPolarHBondContact CB-OD1 3.49Å; M720-D738 VanDerWaalsContact CE-C 3.47Å; M720-D738 HydrophobicContact CE-CB 3.44Å; M720-D738 VanDerWaalsContact CE-CB 3.44Å; M720-D738 VanDerWaalsContact CE-O 3.27Å; M720-D738 WeakPolarHBondContact CE-O 3.42Å; G721-D738 WeakPolarHBondContact CA-OD1 3.48Å; G721-D738 PolarHBondContact N-OD1 3.18Å; S722-D738 WeakPolarHBondContact CB-OD2 3.37Å; S722-D738 PolarHBondContact N-OD1 3.46Å; S722-D738 PolarHBondContact N-OD2 3.49Å; S722-D738 PolarHBondContact OG-OD2 3.3Å; S722-D738 VanDerWaalsContact OG-OD2 3.07Å; L735-D738 PolarHBondContact O-N 3.11Å
739N84.4Confident91Very high20 Ų2018.3 Ų18.311%0.10711%0.111CC..  trans-108.6126.1-171.8-163.8-12.5000113.1D737 S741 T742D737-N739 PolarHBondContact O-N 2.89Å; D737-N739 WeakPolarHBondContact OD1-CB 3.11Å; D737-N739 PolarHBondContact OD1-N 3.5Å; N739-S741 PolarHBondContact ND2-OG 3.4Å; N739-S741 PolarHBondContact O-N 2.84Å; N739-S741 PolarHBondContact OD1-N 3.45Å; N739-S741 VanDerWaalsContact OD1-N 3.12Å; N739-S741 PolarHBondContact OD1-OG 2.92Å; N739-T742 VanDerWaalsContact O-CB 3.23Å; N739-T742 WeakPolarHBondContact O-CB 3.44Å; N739-T742 PolarHBondContact O-N 3.39Å; N739-T742 VanDerWaalsContact O-N 3.07Å; N739-T742 PolarHBondContact O-OG1 3.18Å
740F89.4Confident91.5Very high0 Ų017 Ų170%010%0.103CC..Hα-helixtrans-58.7-32.2175-173.9-91.2000113I348 T355 L356 V607 I611 V621 T742 I743 V744I348-F740 HydrophobicContact CD1-CZ 4.41Å; I348-F740 HydrophobicContact CG2-CE2 3.82Å; I348-F740 HydrophobicContact CG2-CZ 4.19Å; T355-F740 HydrophobicContact CG2-CD2 4.5Å; L356-F740 HydrophobicContact CD2-CB 4.37Å; L356-F740 HydrophobicContact CD2-CD2 3.66Å; L356-F740 HydrophobicContact CD2-CE2 4.08Å; L356-F740 HydrophobicContact CD2-CG 3.94Å; V607-F740 HydrophobicContact CG2-CB 3.89Å; I611-F740 HydrophobicContact CG1-CE1 4.21Å; V621-F740 HydrophobicContact CG1-CE2 4.5Å; V621-F740 HydrophobicContact CG1-CZ 4.15Å; V621-F740 HydrophobicContact CG2-CZ 4.2Å; F740-T742 PolarHBondContact O-N 2.97Å; F740-I743 HydrophobicContact CD2-CD1 3.78Å; F740-I743 HydrophobicContact CE2-CD1 4.12Å; F740-I743 HydrophobicContact CG-CD1 4.44Å; F740-I743 VanDerWaalsContact O-CB 3.31Å; F740-I743 WeakPolarHBondContact O-CB 3.41Å; F740-I743 PolarHBondContact O-N 3.05Å; F740-V744 HydrophobicContact CD1-CG2 4.45Å; F740-V744 HydrophobicContact CE1-CG2 4.08Å
741S89Confident91.8Very high32 Ų3217.6 Ų17.622%0.22410%0.104CC..Hα-helixtrans-61.4-28.6177.564.10000112.9S610 N739 I743 V744 A745S610-S741 VanDerWaalsContact OG-CA 3.25Å; S610-S741 WeakPolarHBondContact OG-CA 3.47Å; S610-S741 WeakPolarHBondContact OG-CB 3.3Å; N739-S741 PolarHBondContact ND2-OG 3.4Å; N739-S741 PolarHBondContact O-N 2.84Å; N739-S741 PolarHBondContact OD1-N 3.45Å; N739-S741 VanDerWaalsContact OD1-N 3.12Å; N739-S741 PolarHBondContact OD1-OG 2.92Å; S741-I743 VanDerWaalsContact C-N 3.27Å; S741-I743 PolarHBondContact O-N 2.94Å; S741-V744 PolarHBondContact O-N 3.29Å; S741-A745 PolarHBondContact O-N 3.4Å
742T93.8Very high91.8Very high8 Ų817.7 Ų17.75%0.04911%0.105CC..Hα-helixtrans-66.2-32.2177.2-57.20000111.4K329 N330 A331 L735 D737 N739 F740 A745 A746K329-T742 WeakPolarHBondContact O-CG2 3.29Å; N330-T742 HydrophobicContact CB-CG2 4.33Å; A331-T742 HydrophobicContact CB-CG2 3.86Å; L735-T742 HydrophobicContact CD2-CG2 3.82Å; D737-T742 PolarHBondContact OD1-OG1 3.1Å; D737-T742 VanDerWaalsContact OD1-OG1 3.05Å; D737-T742 PolarHBondContact OD2-OG1 3.37Å; N739-T742 VanDerWaalsContact O-CB 3.23Å; N739-T742 WeakPolarHBondContact O-CB 3.44Å; N739-T742 PolarHBondContact O-N 3.39Å; N739-T742 VanDerWaalsContact O-N 3.07Å; N739-T742 PolarHBondContact O-OG1 3.18Å; F740-T742 PolarHBondContact O-N 2.97Å; T742-A745 PolarHBondContact O-N 2.99Å; T742-A746 WeakPolarHBondContact O-CB 3.37Å; T742-A746 PolarHBondContact O-N 3.23Å
743I94.5Very high91.8Very high1 Ų117 Ų171%0.00510%0.102CC..Hα-helixtrans-62.2-48.4173-55.3174.4000109.8I348 T701 I718 L735 F740 S741 A745 A746 V747I348-I743 HydrophobicContact CD1-CG2 4.03Å; T701-I743 HydrophobicContact CG2-CD1 3.54Å; I718-I743 HydrophobicContact CD1-CB 4.49Å; I718-I743 HydrophobicContact CD1-CD1 4.02Å; I718-I743 HydrophobicContact CD1-CG1 4.06Å; I718-I743 HydrophobicContact CD1-CG2 3.69Å; I718-I743 HydrophobicContact CG2-CD1 4.3Å; I718-I743 HydrophobicContact CG2-CG1 4.32Å; L735-I743 HydrophobicContact CD1-CD1 3.92Å; L735-I743 HydrophobicContact CD1-CG1 3.66Å; L735-I743 HydrophobicContact CD2-CG1 3.92Å; L735-I743 HydrophobicContact CG-CG1 4.38Å; F740-I743 HydrophobicContact CD2-CD1 3.78Å; F740-I743 HydrophobicContact CE2-CD1 4.12Å; F740-I743 HydrophobicContact CG-CD1 4.44Å; F740-I743 VanDerWaalsContact O-CB 3.31Å; F740-I743 WeakPolarHBondContact O-CB 3.41Å; F740-I743 PolarHBondContact O-N 3.05Å; S741-I743 VanDerWaalsContact C-N 3.27Å; S741-I743 PolarHBondContact O-N 2.94Å; I743-A745 VanDerWaalsContact C-N 3.34Å; I743-A745 PolarHBondContact O-N 2.89Å; I743-A746 CarbonylContact O-C 3.58Å; I743-A746 WeakPolarHBondContact O-CB 3.23Å; I743-A746 PolarHBondContact O-N 3.42Å; I743-A746 VanDerWaalsContact O-N 3.11Å; I743-V747 WeakPolarHBondContact O-CG2 3.22Å; I743-V747 PolarHBondContact O-N 2.9Å
744V93.8Very high91.6Very high5 Ų517.4 Ų17.43%0.0310%0.104CC..Hα-helixtrans-62.4-43.4-179.3-176.30000111.1L613 F740 S741 A746 V747 E748 M817L613-V744 HydrophobicContact CB-CG1 3.92Å; L613-V744 HydrophobicContact CD1-CG1 4.15Å; F740-V744 HydrophobicContact CD1-CG2 4.45Å; F740-V744 HydrophobicContact CE1-CG2 4.08Å; S741-V744 PolarHBondContact O-N 3.29Å; V744-A746 VanDerWaalsContact C-N 3.27Å; V744-A746 PolarHBondContact O-N 2.94Å; V744-V747 PolarHBondContact O-N 3.36Å; V744-E748 PolarHBondContact O-N 3.29Å; V744-M817 HydrophobicContact CG1-CE 3.78Å
745A93.4Very high91.3Very high27 Ų2719.3 Ų19.322%0.22311%0.113CC..Hα-helixtrans-63.6-32.4175.700000112.8K329 S741 T742 I743 E749K329-A745 HydrophobicContact CD-CB 4.45Å; S741-A745 PolarHBondContact O-N 3.4Å; T742-A745 PolarHBondContact O-N 2.99Å; I743-A745 VanDerWaalsContact C-N 3.34Å; I743-A745 PolarHBondContact O-N 2.89Å; A745-E749 WeakPolarHBondContact O-CB 3.23Å; A745-E749 PolarHBondContact O-N 2.74Å
746A95Very high91.2Very high3 Ų319.8 Ų19.83%0.02512%0.116CC..Hα-helixtrans-73.7-36.4174.200000111.7M326 A331 L342 M733 T742 I743 V744 E749 G750M326-A746 WeakPolarHBondContact CE-O 3.39Å; A331-A746 HydrophobicContact CB-CB 4.17Å; L342-A746 HydrophobicContact CD2-CB 3.48Å; L342-A746 VanDerWaalsContact CD2-CB 3.48Å; M733-A746 HydrophobicContact CE-CB 4.39Å; M733-A746 HydrophobicContact SD-CB 3.9Å; T742-A746 WeakPolarHBondContact O-CB 3.37Å; T742-A746 PolarHBondContact O-N 3.23Å; I743-A746 CarbonylContact O-C 3.58Å; I743-A746 WeakPolarHBondContact O-CB 3.23Å; I743-A746 PolarHBondContact O-N 3.42Å; I743-A746 VanDerWaalsContact O-N 3.11Å; V744-A746 VanDerWaalsContact C-N 3.27Å; V744-A746 PolarHBondContact O-N 2.94Å; A746-E749 PolarHBondContact O-N 2.97Å; A746-G750 PolarHBondContact O-N 3.19Å
747V95.9Very high91.2Very high1 Ų117.3 Ų17.31%0.00610%0.095CC..Hα-helixtrans-63.2-46.3174.1172.70000110.6L342 I619 I743 V744 E749 G750 R751L342-V747 HydrophobicContact CD2-CB 4.29Å; L342-V747 HydrophobicContact CD2-CG2 3.67Å; L342-V747 VanDerWaalsContact CD2-N 3.29Å; I619-V747 HydrophobicContact CD1-CG1 3.72Å; I743-V747 WeakPolarHBondContact O-CG2 3.22Å; I743-V747 PolarHBondContact O-N 2.9Å; V744-V747 PolarHBondContact O-N 3.36Å; V747-E749 VanDerWaalsContact C-N 3.32Å; V747-E749 PolarHBondContact O-N 3.18Å; V747-G750 PolarHBondContact O-N 2.88Å; V747-R751 WeakPolarHBondContact O-CG 3.32Å; V747-R751 PolarHBondContact O-N 3.04Å
748E93.9Very high91.1Very high77 Ų7715.7 Ų15.736%0.369%0.086SC..Hα-helixtrans-56.2-47.2175.3-176-174.2169.500111.3V744 R751 A752 I816 M817V744-E748 PolarHBondContact O-N 3.29Å; E748-R751 PolarHBondContact O-N 3.46Å; E748-A752 PolarHBondContact O-N 3.31Å; E748-I816 HydrophobicContact CG-CG2 4.05Å; E748-M817 HydrophobicContact CB-CG 4.12Å; E748-M817 HydrophobicContact CB-SD 3.7Å; E748-M817 HydrophobicContact CG-CG 3.82Å; E748-M817 HydrophobicContact CG-SD 4.04Å
749E93.3Very high91.3Very high19 Ų1914.9 Ų14.99%0.0898%0.081CC..Hα-helixtrans-65.6-38.6177.3-166.177.2-14500112R325 M326 K329 A745 A746 V747 A752 I753R325-E749 WeakPolarHBondContact CD-OE1 3.45Å; R325-E749 IonicContact CZ-OE1 3.64Å; R325-E749 IonicContact NE-OE1 3.15Å; R325-E749 PolarHBondContact NE-OE1 3.32Å; R325-E749 IonicContact NH1-OE1 3.88Å; R325-E749 PolarHBondContact NH1-OE1 2.93Å; R325-E749 IonicContact NH2-OE1 2.79Å; M326-E749 HydrophobicContact CE-CB 3.79Å; M326-E749 HydrophobicContact CE-CG 3.92Å; M326-E749 HydrophobicContact CG-CB 4.31Å; M326-E749 HydrophobicContact CG-CG 3.96Å; K329-E749 IonicContact NZ-OE2 3.65Å; K329-E749 PolarHBondContact NZ-OE2 3.25Å; A745-E749 WeakPolarHBondContact O-CB 3.23Å; A745-E749 PolarHBondContact O-N 2.74Å; A746-E749 PolarHBondContact O-N 2.97Å; V747-E749 VanDerWaalsContact C-N 3.32Å; V747-E749 PolarHBondContact O-N 3.18Å; E749-A752 WeakPolarHBondContact O-CB 3.27Å; E749-A752 PolarHBondContact O-N 3.43Å; E749-I753 HydrophobicContact CG-CD1 3.93Å; E749-I753 WeakPolarHBondContact O-CB 3.24Å; E749-I753 VanDerWaalsContact O-CG1 3.25Å; E749-I753 WeakPolarHBondContact O-CG1 3.27Å; E749-I753 PolarHBondContact O-N 2.83Å
750G94.1Very high91.7Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-62.9-42.8175.600000112.3V339 A746 V747 A752 I753 Y754V339-G750 VanDerWaalsContact O-CA 3.23Å; V339-G750 WeakPolarHBondContact O-CA 3.46Å; A746-G750 PolarHBondContact O-N 3.19Å; V747-G750 PolarHBondContact O-N 2.88Å; G750-A752 VanDerWaalsContact C-N 3.35Å; G750-A752 PolarHBondContact O-N 3.05Å; G750-I753 PolarHBondContact O-N 3.32Å; G750-Y754 WeakPolarHBondContact O-CB 3.27Å; G750-Y754 PolarHBondContact O-N 3.11Å
751R93.1Very high91.8Very high18 Ų1814 Ų147%0.0688%0.076CC..Hα-helixtrans-60.8-43.9172.8-70.7-179.7178.5-161.40.2111.3G343 A617 V747 E748 Y754 N755 I816 R819G343-R751 VanDerWaalsContact O-CG 3.23Å; G343-R751 WeakPolarHBondContact O-CG 3.36Å; G343-R751 PolarHBondContact O-NE 3.36Å; A617-R751 PolarHBondContact O-NH2 2.88Å; V747-R751 WeakPolarHBondContact O-CG 3.32Å; V747-R751 PolarHBondContact O-N 3.04Å; E748-R751 PolarHBondContact O-N 3.46Å; R751-Y754 PolarHBondContact O-N 2.96Å; R751-N755 PolarHBondContact O-N 2.88Å; R751-I816 HydrophobicContact CB-CD1 3.76Å; R751-I816 HydrophobicContact CB-CG1 3.7Å; R751-I816 WeakPolarHBondContact CD-O 3.49Å; R751-I816 PolarHBondContact NH1-O 3.4Å; R751-R819 PolarHBondContact NH1-O 3.5Å
752A90.3Very high91.7Very high4 Ų412.8 Ų12.83%0.0337%0.067CC..Hα-helixtrans-62.6-45.7178.300000111.9E748 E749 G750 N755 N756 P812 I816E748-A752 PolarHBondContact O-N 3.31Å; E749-A752 WeakPolarHBondContact O-CB 3.27Å; E749-A752 PolarHBondContact O-N 3.43Å; G750-A752 VanDerWaalsContact C-N 3.35Å; G750-A752 PolarHBondContact O-N 3.05Å; A752-N755 PolarHBondContact O-N 2.83Å; A752-N756 PolarHBondContact O-N 2.69Å; A752-N756 VanDerWaalsContact O-N 3.12Å; A752-N756 PolarHBondContact O-OD1 3.03Å; A752-P812 HydrophobicContact CB-CB 3.81Å; A752-I816 HydrophobicContact CB-CD1 3.96Å
753I91Very high91.7Very high0 Ų012.4 Ų12.40%07%0.065CC..Hα-helixtrans-64-42.6178.3-69.5165.1000110.3L319 G322 M326 V339 E749 G750 N755 N756 M757L319-I753 HydrophobicContact CD2-CG2 4.29Å; G322-I753 VanDerWaalsContact CA-CD1 3.48Å; M326-I753 HydrophobicContact CE-CD1 4.23Å; V339-I753 HydrophobicContact CG1-CB 4.39Å; V339-I753 HydrophobicContact CG1-CD1 3.31Å; V339-I753 HydrophobicContact CG1-CG1 4.43Å; V339-I753 HydrophobicContact CG1-CG2 4.2Å; E749-I753 HydrophobicContact CG-CD1 3.93Å; E749-I753 WeakPolarHBondContact O-CB 3.24Å; E749-I753 VanDerWaalsContact O-CG1 3.25Å; E749-I753 WeakPolarHBondContact O-CG1 3.27Å; E749-I753 PolarHBondContact O-N 2.83Å; G750-I753 PolarHBondContact O-N 3.32Å; I753-N755 PolarHBondContact O-N 3.23Å; I753-N756 PolarHBondContact O-N 3.26Å; I753-M757 HydrophobicContact CG2-CE 3.97Å; I753-M757 HydrophobicContact CG2-CG 4.15Å; I753-M757 HydrophobicContact CG2-SD 4.07Å; I753-M757 WeakPolarHBondContact O-CB 3.27Å; I753-M757 VanDerWaalsContact O-CG 3.24Å; I753-M757 WeakPolarHBondContact O-CG 3.36Å; I753-M757 PolarHBondContact O-N 3.11Å
754Y89.9Confident91.6Very high8 Ų812.5 Ų12.53%0.0317%0.065CC..Hα-helixtrans-58.3-47.5175.6178.9-95.7000112.6E340 G750 R751 N756 M757 K758 R822E340-Y754 HydrophobicContact CG-CD2 3.75Å; E340-Y754 VanDerWaalsContact OE1-CD2 3.29Å; E340-Y754 WeakPolarHBondContact OE1-CD2 3.41Å; G750-Y754 WeakPolarHBondContact O-CB 3.27Å; G750-Y754 PolarHBondContact O-N 3.11Å; R751-Y754 PolarHBondContact O-N 2.96Å; Y754-N756 VanDerWaalsContact C-N 3.3Å; Y754-N756 PolarHBondContact O-N 3.04Å; Y754-M757 HydrophobicContact CD2-CE 4.43Å; Y754-M757 PolarHBondContact O-N 3.43Å; Y754-M757 VanDerWaalsContact O-N 3.15Å; Y754-K758 HydrophobicContact CE1-CB 4.42Å; Y754-K758 HydrophobicContact CE1-CD 4.07Å; Y754-K758 WeakPolarHBondContact O-CB 3.3Å; Y754-K758 PolarHBondContact O-N 3.24Å; Y754-R822 VanDerWaalsContact CZ-NE 3.28Å; Y754-R822 PolarHBondContact OH-NH1 3.12Å
755N87.8Confident91.4Very high52 Ų5212.9 Ų12.928%0.2787%0.067SC..Hα-helixtrans-58.1-44.9178-74.9-7.7000111.4R751 A752 I753 M757 K758 Q759R751-N755 PolarHBondContact O-N 2.88Å; A752-N755 PolarHBondContact O-N 2.83Å; I753-N755 PolarHBondContact O-N 3.23Å; N755-M757 PolarHBondContact O-N 3.46Å; N755-K758 PolarHBondContact O-N 3.3Å; N755-Q759 WeakPolarHBondContact O-CB 3.49Å; N755-Q759 PolarHBondContact O-N 2.84Å; N755-Q759 VanDerWaalsContact O-N 3.08Å
756N90.8Very high91.2Very high10 Ų1011.6 Ų11.65%0.0536%0.056CC..Hα-helixtrans-65-39.6177.7-66.50.1000111.7A752 I753 Y754 Q759 F760 G808 N810A752-N756 PolarHBondContact O-N 2.69Å; A752-N756 VanDerWaalsContact O-N 3.12Å; A752-N756 PolarHBondContact O-OD1 3.03Å; I753-N756 PolarHBondContact O-N 3.26Å; Y754-N756 VanDerWaalsContact C-N 3.3Å; Y754-N756 PolarHBondContact O-N 3.04Å; N756-Q759 WeakPolarHBondContact O-CB 3.26Å; N756-Q759 PolarHBondContact O-N 3.39Å; N756-F760 WeakPolarHBondContact O-CD1 3.45Å; N756-F760 PolarHBondContact O-N 3.04Å; N756-G808 PolarHBondContact ND2-O 3.47Å; N756-N810 PolarHBondContact ND2-N 3.04Å; N756-N810 PolarHBondContact ND2-O 2.95Å; N756-N810 WeakPolarHBondContact OD1-CB 3.39Å
757M88.9Confident91.1Very high0 Ų011.5 Ų11.50%06%0.055CC..Hα-helixtrans-63.7-48.5175.8-71-169.1-56.800112.7L249 L319 E340 I753 Y754 N755 Q759 F760 I761L249-M757 HydrophobicContact CD2-CE 3.73Å; L249-M757 HydrophobicContact CD2-SD 4.02Å; L319-M757 HydrophobicContact CD2-CE 4.27Å; L319-M757 HydrophobicContact CD2-SD 3.76Å; L319-M757 HydrophobicContact CG-SD 4.21Å; E340-M757 HydrophobicContact CB-CE 3.77Å; E340-M757 HydrophobicContact CG-CE 3.51Å; I753-M757 HydrophobicContact CG2-CE 3.97Å; I753-M757 HydrophobicContact CG2-CG 4.15Å; I753-M757 HydrophobicContact CG2-SD 4.07Å; I753-M757 WeakPolarHBondContact O-CB 3.27Å; I753-M757 VanDerWaalsContact O-CG 3.24Å; I753-M757 WeakPolarHBondContact O-CG 3.36Å; I753-M757 PolarHBondContact O-N 3.11Å; Y754-M757 HydrophobicContact CD2-CE 4.43Å; Y754-M757 PolarHBondContact O-N 3.43Å; Y754-M757 VanDerWaalsContact O-N 3.15Å; N755-M757 PolarHBondContact O-N 3.46Å; M757-Q759 PolarHBondContact O-N 2.99Å; M757-F760 HydrophobicContact CB-CE1 3.91Å; M757-F760 HydrophobicContact CB-CZ 3.82Å; M757-F760 HydrophobicContact CG-CE1 3.57Å; M757-F760 HydrophobicContact CG-CZ 3.55Å; M757-F760 PolarHBondContact O-N 3.39Å; M757-I761 HydrophobicContact CB-CD1 4.41Å; M757-I761 WeakPolarHBondContact O-CB 3.35Å; M757-I761 WeakPolarHBondContact O-CD1 3.47Å; M757-I761 WeakPolarHBondContact O-CG1 3.33Å; M757-I761 PolarHBondContact O-N 2.98Å
758K86.8Confident90.9Very high18 Ų1811.7 Ų11.78%0.0786%0.056CC..Hα-helixtrans-53.1-42.1175.3-158.7-171.1-164.2-172.50110.3Y754 N755 R762 E826 L828Y754-K758 HydrophobicContact CE1-CB 4.42Å; Y754-K758 HydrophobicContact CE1-CD 4.07Å; Y754-K758 WeakPolarHBondContact O-CB 3.3Å; Y754-K758 PolarHBondContact O-N 3.24Å; N755-K758 PolarHBondContact O-N 3.3Å; K758-R762 VanDerWaalsContact CD-NH2 3.34Å; K758-R762 VanDerWaalsContact CE-CZ 3.47Å; K758-R762 WeakPolarHBondContact O-CB 3.47Å; K758-R762 WeakPolarHBondContact O-CD 3.46Å; K758-R762 WeakPolarHBondContact O-CG 3.33Å; K758-R762 PolarHBondContact O-N 2.98Å; K758-R762 VanDerWaalsContact O-N 3.08Å; K758-E826 IonicContact NZ-OE1 2.75Å; K758-E826 PolarHBondContact NZ-OE1 2.93Å; K758-L828 HydrophobicContact CG-CD2 4.28Å
759Q88.6Confident90.8Very high10 Ų109.7 Ų9.75%0.0475%0.049CC..Hα-helixtrans-66.6-47.8-178.6-166.262.346.400113.4N755 N756 M757 R762 Y763 S915N755-Q759 WeakPolarHBondContact O-CB 3.49Å; N755-Q759 PolarHBondContact O-N 2.84Å; N755-Q759 VanDerWaalsContact O-N 3.08Å; N756-Q759 WeakPolarHBondContact O-CB 3.26Å; N756-Q759 PolarHBondContact O-N 3.39Å; M757-Q759 PolarHBondContact O-N 2.99Å; Q759-R762 PolarHBondContact O-N 3.28Å; Q759-Y763 PolarHBondContact O-N 3.32Å; Q759-S915 WeakPolarHBondContact CG-O 3.37Å; Q759-S915 PolarHBondContact NE2-O 3.32Å; Q759-S915 VanDerWaalsContact NE2-O 3.16Å
760F92.7Very high90.8Very high0 Ų08.9 Ų8.90%05%0.046CC..Hα-helixtrans-74.4-30.2178.470.8-119.4000113L311 V314 I315 C318 N756 M757 R762 Y763 L764 A804 L807L311-F760 HydrophobicContact CD1-CD2 4.31Å; L311-F760 HydrophobicContact CD1-CE2 4.01Å; V314-F760 HydrophobicContact CB-CE2 4.45Å; V314-F760 HydrophobicContact CG1-CD1 4.32Å; V314-F760 HydrophobicContact CG1-CD2 3.7Å; V314-F760 HydrophobicContact CG1-CE1 4.21Å; V314-F760 HydrophobicContact CG1-CE2 3.68Å; V314-F760 HydrophobicContact CG1-CG 4.08Å; V314-F760 HydrophobicContact CG1-CZ 3.95Å; I315-F760 HydrophobicContact CG1-CE2 3.76Å; I315-F760 HydrophobicContact CG1-CZ 3.95Å; C318-F760 HydrophobicContact CB-CE1 3.89Å; C318-F760 HydrophobicContact CB-CZ 4.23Å; N756-F760 WeakPolarHBondContact O-CD1 3.45Å; N756-F760 PolarHBondContact O-N 3.04Å; M757-F760 HydrophobicContact CB-CE1 3.91Å; M757-F760 HydrophobicContact CB-CZ 3.82Å; M757-F760 HydrophobicContact CG-CE1 3.57Å; M757-F760 HydrophobicContact CG-CZ 3.55Å; M757-F760 PolarHBondContact O-N 3.39Å; F760-R762 VanDerWaalsContact C-N 3.31Å; F760-R762 PolarHBondContact O-N 3.14Å; F760-Y763 WeakPolarHBondContact O-CB 3.46Å; F760-Y763 PolarHBondContact O-N 3.05Å; F760-L764 WeakPolarHBondContact O-CG 3.23Å; F760-L764 PolarHBondContact O-N 3.44Å; F760-A804 HydrophobicContact CB-CB 4.12Å; F760-A804 WeakPolarHBondContact CB-O 3.41Å; F760-L807 HydrophobicContact CB-CB 3.93Å; F760-L807 HydrophobicContact CB-CD1 4.09Å
761I90.6Very high90.8Very high1 Ų18.9 Ų8.91%0.0055%0.046CC..Hα-helixtrans-60.1-47.1173.4-73.4163.3000109L249 L311 M757 Y763 L764 I765 L828L249-I761 HydrophobicContact CD1-CD1 4.02Å; L311-I761 HydrophobicContact CD1-CG1 3.7Å; M757-I761 HydrophobicContact CB-CD1 4.41Å; M757-I761 WeakPolarHBondContact O-CB 3.35Å; M757-I761 WeakPolarHBondContact O-CD1 3.47Å; M757-I761 WeakPolarHBondContact O-CG1 3.33Å; M757-I761 PolarHBondContact O-N 2.98Å; I761-Y763 VanDerWaalsContact C-N 3.35Å; I761-Y763 PolarHBondContact O-N 3.49Å; I761-L764 PolarHBondContact O-N 3.39Å; I761-I765 HydrophobicContact CG2-CD1 3.55Å; I761-I765 HydrophobicContact CG2-CG1 4.41Å; I761-I765 WeakPolarHBondContact O-CB 3.5Å; I761-I765 VanDerWaalsContact O-CG1 3.24Å; I761-I765 WeakPolarHBondContact O-CG1 3.49Å; I761-I765 PolarHBondContact O-N 2.94Å; I761-L828 HydrophobicContact CG2-CD1 4.34Å
762R88.3Confident90.7Very high6 Ų69 Ų92%0.0235%0.049CC..Hα-helixtrans-63.6-39.5177.3-71.7161.4178.1-179.1-19.6112.5K758 Q759 F760 S766 L828 I829 L833 Y837 E918K758-R762 VanDerWaalsContact CD-NH2 3.34Å; K758-R762 VanDerWaalsContact CE-CZ 3.47Å; K758-R762 WeakPolarHBondContact O-CB 3.47Å; K758-R762 WeakPolarHBondContact O-CD 3.46Å; K758-R762 WeakPolarHBondContact O-CG 3.33Å; K758-R762 PolarHBondContact O-N 2.98Å; K758-R762 VanDerWaalsContact O-N 3.08Å; Q759-R762 PolarHBondContact O-N 3.28Å; F760-R762 VanDerWaalsContact C-N 3.31Å; F760-R762 PolarHBondContact O-N 3.14Å; R762-S766 VanDerWaalsContact O-CB 3.23Å; R762-S766 WeakPolarHBondContact O-CB 3.44Å; R762-S766 PolarHBondContact O-N 3.38Å; R762-L828 PolarHBondContact NE-O 2.89Å; R762-L828 VanDerWaalsContact NE-O 3.13Å; R762-I829 HydrophobicContact CG-CG1 4.19Å; R762-L833 VanDerWaalsContact NE-CD2 3.26Å; R762-Y837 HydrophobicContact CB-CE2 3.66Å; R762-Y837 HydrophobicContact CG-CE2 3.81Å; R762-E918 IonicContact CZ-OE1 2.66Å; R762-E918 IonicContact CZ-OE2 3.26Å; R762-E918 IonicContact NH1-OE1 3.98Å; R762-E918 PolarHBondContact NH1-OE1 3.36Å; R762-E918 IonicContact NH1-OE2 2.63Å; R762-E918 PolarHBondContact NH1-OE2 3.3Å; R762-E918 IonicContact NH2-OE1 3.97Å; R762-E918 PolarHBondContact NH2-OE1 3.28Å; R762-E918 IonicContact NH2-OE2 3.38Å; R762-E918 PolarHBondContact NH2-OE2 3.27Å
763Y93.3Very high90.8Very high0 Ų010.5 Ų10.50%06%0.057CC..Hα-helixtrans-59.2-53.6174.8162.2-114.8000111.4Q759 F760 I761 I765 S766 S767 D800 P803 A804 L807 E908 N911 A912Q759-Y763 PolarHBondContact O-N 3.32Å; F760-Y763 WeakPolarHBondContact O-CB 3.46Å; F760-Y763 PolarHBondContact O-N 3.05Å; I761-Y763 VanDerWaalsContact C-N 3.35Å; I761-Y763 PolarHBondContact O-N 3.49Å; Y763-I765 PolarHBondContact O-N 3.21Å; Y763-S766 WeakPolarHBondContact O-CB 3.26Å; Y763-S766 PolarHBondContact O-N 2.75Å; Y763-S767 PolarHBondContact O-N 3.33Å; Y763-S767 VanDerWaalsContact O-N 3.11Å; Y763-D800 HydrophobicContact CE1-CB 4.13Å; Y763-D800 WeakPolarHBondContact OH-CA 3.2Å; Y763-D800 PolarHBondContact OH-OD1 2.84Å; Y763-P803 HydrophobicContact CE1-CB 4.12Å; Y763-A804 HydrophobicContact CD1-CB 3.9Å; Y763-A804 HydrophobicContact CE1-CB 3.95Å; Y763-L807 HydrophobicContact CD1-CD1 3.99Å; Y763-L807 HydrophobicContact CG-CD1 4.07Å; Y763-E908 HydrophobicContact CE2-CB 4.28Å; Y763-E908 WeakPolarHBondContact CE2-O 3.39Å; Y763-E908 VanDerWaalsContact CE2-OE2 3.26Å; Y763-E908 WeakPolarHBondContact CE2-OE2 3.37Å; Y763-N911 HydrophobicContact CD2-CB 4.47Å; Y763-N911 HydrophobicContact CE2-CB 4.39Å; Y763-A912 HydrophobicContact CD2-CB 4.43Å; Y763-A912 HydrophobicContact CE2-CB 3.92Å
764L92.1Very high90.9Very high3 Ų310.5 Ų10.52%0.0166%0.057CC..Hα-helixtrans-60.1-47.9179.1-69.1175.8000111.6L311 V314 F760 I761 S766 S767 N768 D800 A804L311-L764 HydrophobicContact CB-CD1 4.21Å; L311-L764 HydrophobicContact CD1-CD1 3.85Å; V314-L764 HydrophobicContact CG2-CD1 4.46Å; F760-L764 WeakPolarHBondContact O-CG 3.23Å; F760-L764 PolarHBondContact O-N 3.44Å; I761-L764 PolarHBondContact O-N 3.39Å; L764-S766 VanDerWaalsContact C-N 3.28Å; L764-S766 PolarHBondContact O-N 3Å; L764-S767 VanDerWaalsContact O-CB 3.31Å; L764-S767 WeakPolarHBondContact O-CB 3.4Å; L764-S767 PolarHBondContact O-N 3.36Å; L764-S767 VanDerWaalsContact O-N 3.08Å; L764-N768 PolarHBondContact O-N 3.47Å; L764-N768 PolarHBondContact O-OD1 3.11Å; L764-D800 HydrophobicContact CD2-CB 3.74Å; L764-A804 HydrophobicContact CD1-CB 3.96Å; L764-A804 HydrophobicContact CD2-CB 3.85Å; L764-A804 HydrophobicContact CG-CB 3.89Å
765I89.1Confident90.9Very high14 Ų1410.8 Ų10.87%0.0726%0.059CC..Hα-helixtrans-61.6-37.9178.3-66.5168.3000111.5F256 I761 Y763 S767 N768 V769 I829F256-I765 HydrophobicContact CD2-CD1 4.34Å; F256-I765 HydrophobicContact CE1-CD1 3.95Å; F256-I765 HydrophobicContact CE1-CG1 4.21Å; F256-I765 HydrophobicContact CE2-CD1 3.69Å; F256-I765 HydrophobicContact CE2-CG1 4.31Å; F256-I765 HydrophobicContact CE2-CG2 4.34Å; F256-I765 HydrophobicContact CZ-CD1 3.47Å; F256-I765 VanDerWaalsContact CZ-CD1 3.47Å; F256-I765 HydrophobicContact CZ-CG1 3.69Å; F256-I765 HydrophobicContact CZ-CG2 4.19Å; I761-I765 HydrophobicContact CG2-CD1 3.55Å; I761-I765 HydrophobicContact CG2-CG1 4.41Å; I761-I765 WeakPolarHBondContact O-CB 3.5Å; I761-I765 VanDerWaalsContact O-CG1 3.24Å; I761-I765 WeakPolarHBondContact O-CG1 3.49Å; I761-I765 PolarHBondContact O-N 2.94Å; Y763-I765 PolarHBondContact O-N 3.21Å; I765-S767 VanDerWaalsContact C-N 3.28Å; I765-S767 PolarHBondContact O-N 3.05Å; I765-N768 PolarHBondContact O-N 3.02Å; I765-V769 HydrophobicContact CG2-CG2 4.36Å; I765-V769 VanDerWaalsContact O-CG2 3.3Å; I765-V769 WeakPolarHBondContact O-CG2 3.19Å; I765-V769 PolarHBondContact O-N 2.98Å; I765-I829 HydrophobicContact CD1-CD1 4.21Å; I765-I829 HydrophobicContact CG2-CD1 4.13Å
766S90.7Very high91Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-61.4-38.4176.5-176.10000112R762 Y763 L764 G770 N911R762-S766 VanDerWaalsContact O-CB 3.23Å; R762-S766 WeakPolarHBondContact O-CB 3.44Å; R762-S766 PolarHBondContact O-N 3.38Å; Y763-S766 WeakPolarHBondContact O-CB 3.26Å; Y763-S766 PolarHBondContact O-N 2.75Å; L764-S766 VanDerWaalsContact C-N 3.28Å; L764-S766 PolarHBondContact O-N 3Å; S766-G770 PolarHBondContact O-N 3.46Å; S766-N911 PolarHBondContact OG-ND2 3.35Å
767S92.5Very high91Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-62.9-54.4174.6-173.20000110.3Y763 L764 I765 V769 G770 E771 D800 E908Y763-S767 PolarHBondContact O-N 3.33Å; Y763-S767 VanDerWaalsContact O-N 3.11Å; L764-S767 VanDerWaalsContact O-CB 3.31Å; L764-S767 WeakPolarHBondContact O-CB 3.4Å; L764-S767 PolarHBondContact O-N 3.36Å; L764-S767 VanDerWaalsContact O-N 3.08Å; I765-S767 VanDerWaalsContact C-N 3.28Å; I765-S767 PolarHBondContact O-N 3.05Å; S767-V769 VanDerWaalsContact C-N 3.3Å; S767-V769 PolarHBondContact O-N 3.37Å; S767-G770 VanDerWaalsContact O-CA 3.31Å; S767-G770 WeakPolarHBondContact O-CA 3.39Å; S767-G770 PolarHBondContact O-N 3.2Å; S767-E771 PolarHBondContact O-N 3.2Å; S767-D800 WeakPolarHBondContact CB-OD2 3.44Å; S767-D800 PolarHBondContact OG-OD2 3.04Å; S767-E908 VanDerWaalsContact CB-CD 3.49Å; S767-E908 WeakPolarHBondContact OG-CG 3.44Å
768N91.7Very high91Very high6 Ų613.9 Ų13.93%0.0327%0.073CC..Hα-helixtrans-57.4-36.9178.7-70.1103.5000113.4A305 I307 P308 L764 I765 G770 E771 V772 N796A305-N768 WeakPolarHBondContact O-CB 3.46Å; A305-N768 PolarHBondContact O-ND2 3.35Å; I307-N768 PolarHBondContact O-ND2 3.3Å; P308-N768 WeakPolarHBondContact CB-OD1 3.4Å; L764-N768 PolarHBondContact O-N 3.47Å; L764-N768 PolarHBondContact O-OD1 3.11Å; I765-N768 PolarHBondContact O-N 3.02Å; N768-G770 VanDerWaalsContact C-N 3.28Å; N768-G770 PolarHBondContact O-N 3.47Å; N768-E771 PolarHBondContact O-N 3.42Å; N768-V772 WeakPolarHBondContact O-CB 3.32Å; N768-V772 WeakPolarHBondContact O-CG2 3.45Å; N768-V772 PolarHBondContact O-N 2.98Å; N768-N796 PolarHBondContact ND2-ND2 3.37Å; N768-N796 VanDerWaalsContact ND2-ND2 3.14Å
769V91.8Very high90.9Very high35 Ų3513.4 Ų13.421%0.2127%0.072CC..Hα-helixtrans-61.5-40.2173.5172.30000110.8I765 S767 V773 M838I765-V769 HydrophobicContact CG2-CG2 4.36Å; I765-V769 VanDerWaalsContact O-CG2 3.3Å; I765-V769 WeakPolarHBondContact O-CG2 3.19Å; I765-V769 PolarHBondContact O-N 2.98Å; S767-V769 VanDerWaalsContact C-N 3.3Å; S767-V769 PolarHBondContact O-N 3.37Å; V769-V773 VanDerWaalsContact O-CG2 3.26Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 3.17Å; V769-M838 HydrophobicContact CG1-CE 4.34Å; V769-M838 HydrophobicContact CG1-SD 3.94Å
770G93.1Very high90.7Very high1 Ų114.5 Ų14.51%0.018%0.083CC..Hα-helixtrans-64.1-43.3174.600000113.5S766 S767 N768 V773 C774 G841 G845S766-G770 PolarHBondContact O-N 3.46Å; S767-G770 VanDerWaalsContact O-CA 3.31Å; S767-G770 WeakPolarHBondContact O-CA 3.39Å; S767-G770 PolarHBondContact O-N 3.2Å; N768-G770 VanDerWaalsContact C-N 3.28Å; N768-G770 PolarHBondContact O-N 3.47Å; G770-V773 PolarHBondContact O-N 3.33Å; G770-C774 WeakPolarHBondContact O-CB 3.34Å; G770-C774 PolarHBondContact O-N 3.39Å; G770-G841 VanDerWaalsContact CA-O 3.28Å; G770-G841 WeakPolarHBondContact CA-O 3.4Å; G770-G845 WeakPolarHBondContact O-CA 3.26Å
771E93.4Very high90.4Very high1 Ų118 Ų181%0.00510%0.101CC..Hα-helixtrans-60.9-46.4175.5-60-174.2154.100111.5A305 S767 N768 V773 C774 I775 L792 N796 L904A305-E771 HydrophobicContact CB-CB 3.85Å; S767-E771 PolarHBondContact O-N 3.2Å; N768-E771 PolarHBondContact O-N 3.42Å; E771-V773 VanDerWaalsContact C-N 3.35Å; E771-V773 PolarHBondContact O-N 2.97Å; E771-C774 VanDerWaalsContact O-CB 3.31Å; E771-C774 WeakPolarHBondContact O-CB 3.11Å; E771-C774 PolarHBondContact O-N 3.35Å; E771-C774 VanDerWaalsContact O-N 3.15Å; E771-I775 WeakPolarHBondContact O-CG1 3.3Å; E771-I775 PolarHBondContact O-N 3.37Å; E771-L792 HydrophobicContact CB-CD2 4.13Å; E771-L792 HydrophobicContact CG-CD2 3.88Å; E771-N796 PolarHBondContact OE1-OD1 2.88Å; E771-N796 PolarHBondContact OE2-ND2 3.27Å; E771-N796 PolarHBondContact OE2-OD1 3.48Å; E771-L904 HydrophobicContact CG-CD1 4.43Å; E771-L904 HydrophobicContact CG-CD2 4.21Å
772V91.3Very high90Very high21 Ų2118.7 Ų18.713%0.12711%0.108CC..Hα-helixtrans-59-44.8175.7170.40000111.3I267 L302 A305 A306 N768 C774 I775 F776I267-V772 HydrophobicContact CD1-CG1 3.61Å; L302-V772 HydrophobicContact CD1-CG1 4.14Å; A305-V772 HydrophobicContact CB-CG2 4.46Å; A306-V772 HydrophobicContact CB-CG2 3.72Å; N768-V772 WeakPolarHBondContact O-CB 3.32Å; N768-V772 WeakPolarHBondContact O-CG2 3.45Å; N768-V772 PolarHBondContact O-N 2.98Å; V772-C774 VanDerWaalsContact C-N 3.34Å; V772-I775 PolarHBondContact O-N 3.37Å; V772-F776 WeakPolarHBondContact O-CB 3.37Å; V772-F776 PolarHBondContact O-N 2.76Å
773V92.9Very high90Very high35 Ų3519 Ų1921%0.21211%0.11CC..Hα-helixtrans-64.1-39.9176.8172.90000110.8V769 G770 E771 F776 L777V769-V773 VanDerWaalsContact O-CG2 3.26Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 3.17Å; G770-V773 PolarHBondContact O-N 3.33Å; E771-V773 VanDerWaalsContact C-N 3.35Å; E771-V773 PolarHBondContact O-N 2.97Å; V773-F776 PolarHBondContact O-N 3.08Å; V773-L777 HydrophobicContact CG1-CD1 3.73Å; V773-L777 HydrophobicContact CG1-CG 4.06Å; V773-L777 VanDerWaalsContact O-CB 3.31Å; V773-L777 WeakPolarHBondContact O-CB 3.44Å; V773-L777 VanDerWaalsContact O-CG 3.24Å; V773-L777 WeakPolarHBondContact O-CG 3.49Å; V773-L777 PolarHBondContact O-N 3.01Å
774C93.7Very high89.8Confident0 Ų019.7 Ų19.70%012%0.115CC..Hα-helixtrans-58.9-52.7176.3179.10000111.8G770 E771 V772 L777 T778 T848 V849G770-C774 WeakPolarHBondContact O-CB 3.34Å; G770-C774 PolarHBondContact O-N 3.39Å; E771-C774 VanDerWaalsContact O-CB 3.31Å; E771-C774 WeakPolarHBondContact O-CB 3.11Å; E771-C774 PolarHBondContact O-N 3.35Å; E771-C774 VanDerWaalsContact O-N 3.15Å; V772-C774 VanDerWaalsContact C-N 3.34Å; C774-L777 PolarHBondContact O-N 3.23Å; C774-T778 WeakPolarHBondContact O-CB 3.2Å; C774-T778 PolarHBondContact O-N 2.81Å; C774-T778 PolarHBondContact O-OG1 3.37Å; C774-T848 WeakPolarHBondContact CB-OG1 3.35Å; C774-T848 PolarHBondContact SG-OG1 3.32Å; C774-V849 HydrophobicContact CB-CG2 4.3Å; C774-V849 WeakPolarHBondContact O-CG2 3.28Å
775I89.6Confident89.5Confident14 Ų1421.8 Ų21.87%0.07212%0.124CC..Hα-helixtrans-63.9-43.4179.4-60.2-57.9000110.5I298 L302 A305 E771 V772 T778 A779 L787 L792I298-I775 HydrophobicContact CG2-CG2 4.23Å; L302-I775 HydrophobicContact CB-CG2 4.2Å; L302-I775 HydrophobicContact CD1-CB 4.07Å; L302-I775 HydrophobicContact CD1-CG2 3.91Å; A305-I775 HydrophobicContact CB-CG1 4.26Å; E771-I775 WeakPolarHBondContact O-CG1 3.3Å; E771-I775 PolarHBondContact O-N 3.37Å; V772-I775 PolarHBondContact O-N 3.37Å; I775-T778 PolarHBondContact O-N 2.9Å; I775-A779 VanDerWaalsContact O-CB 3.26Å; I775-A779 WeakPolarHBondContact O-CB 3.32Å; I775-A779 PolarHBondContact O-N 3.29Å; I775-L787 HydrophobicContact CD1-CB 4.47Å; I775-L792 HydrophobicContact CD1-CD1 4.43Å
776F88.9Confident89.6Confident68 Ų6821.3 Ų21.330%0.29812%0.122SC..Hα-helixtrans-61.6-46.9177.8178.8-100.1000112.4I267 V271 I274 V772 V773 A779 A780I267-F776 HydrophobicContact CG2-CD2 3.88Å; V271-F776 HydrophobicContact CG2-CD2 3.81Å; V271-F776 HydrophobicContact CG2-CE2 4.22Å; I274-F776 HydrophobicContact CD1-CE2 4.14Å; I274-F776 HydrophobicContact CD1-CZ 4.18Å; V772-F776 WeakPolarHBondContact O-CB 3.37Å; V772-F776 PolarHBondContact O-N 2.76Å; V773-F776 PolarHBondContact O-N 3.08Å; F776-A779 PolarHBondContact O-N 3.46Å; F776-A780 HydrophobicContact CE1-CB 4.39Å; F776-A780 HydrophobicContact CZ-CB 4.35Å; F776-A780 WeakPolarHBondContact O-CB 3.47Å; F776-A780 PolarHBondContact O-N 2.56Å
777L90.9Very high89.7Confident52 Ų5221.4 Ų21.427%0.27212%0.123SC..Hα-helixtrans-64.3-43.7179-75.2177000111.7V773 C774 A780 L781 A846 V849V773-L777 HydrophobicContact CG1-CD1 3.73Å; V773-L777 HydrophobicContact CG1-CG 4.06Å; V773-L777 VanDerWaalsContact O-CB 3.31Å; V773-L777 WeakPolarHBondContact O-CB 3.44Å; V773-L777 VanDerWaalsContact O-CG 3.24Å; V773-L777 WeakPolarHBondContact O-CG 3.49Å; V773-L777 PolarHBondContact O-N 3.01Å; C774-L777 PolarHBondContact O-N 3.23Å; L777-A780 PolarHBondContact O-N 2.87Å; L777-L781 VanDerWaalsContact O-CB 3.25Å; L777-L781 WeakPolarHBondContact O-CB 3.35Å; L777-L781 VanDerWaalsContact O-CG 3.23Å; L777-L781 WeakPolarHBondContact O-CG 3.15Å; L777-L781 PolarHBondContact O-N 3.22Å; L777-A846 HydrophobicContact CD1-CB 4.46Å; L777-V849 HydrophobicContact CB-CG2 4.13Å
778T89Confident89.4Confident7 Ų722.4 Ų22.44%0.04313%0.128CC..Hα-helixtrans-60.6-48.6177.8-56.10000110.8C774 I775 G782 L783 P784 V849C774-T778 WeakPolarHBondContact O-CB 3.2Å; C774-T778 PolarHBondContact O-N 2.81Å; C774-T778 PolarHBondContact O-OG1 3.37Å; I775-T778 PolarHBondContact O-N 2.9Å; T778-G782 PolarHBondContact O-N 3.37Å; T778-L783 HydrophobicContact CG2-CB 4.03Å; T778-L783 WeakPolarHBondContact CG2-O 3.29Å; T778-L783 PolarHBondContact O-N 3.36Å; T778-P784 WeakPolarHBondContact CG2-O 3.45Å; T778-V849 WeakPolarHBondContact OG1-CG2 3.33Å
779A84.3Confident89.1Confident7 Ų722.3 Ų22.36%0.05813%0.128CC..Hα-helixtrans-70.8-36.2-179.800000113.5V271 N275 I298 I775 F776V271-A779 HydrophobicContact CG1-CB 4.14Å; N275-A779 PolarHBondContact ND2-O 3.09Å; N275-A779 PolarHBondContact OD1-O 2.94Å; I298-A779 HydrophobicContact CD1-CB 4.25Å; I298-A779 HydrophobicContact CG2-CB 3.89Å; I775-A779 VanDerWaalsContact O-CB 3.26Å; I775-A779 WeakPolarHBondContact O-CB 3.32Å; I775-A779 PolarHBondContact O-N 3.29Å; F776-A779 PolarHBondContact O-N 3.46Å
780A84.9Confident88.9Confident34 Ų3421.3 Ų21.328%0.28112%0.122SC..Hα-helixtrans-76.6-29.1-178.900000112.7I274 F776 L777I274-A780 HydrophobicContact CD1-CB 4.29Å; F776-A780 HydrophobicContact CE1-CB 4.39Å; F776-A780 HydrophobicContact CZ-CB 4.35Å; F776-A780 WeakPolarHBondContact O-CB 3.47Å; F776-A780 PolarHBondContact O-N 2.56Å; L777-A780 PolarHBondContact O-N 2.87Å
781L87.1Confident88.8Confident74 Ų7421.3 Ų21.339%0.38712%0.122SC..Hα-helixtrans-90.5-4.4176.8-62.4176000113L777 L783 T871L777-L781 VanDerWaalsContact O-CB 3.25Å; L777-L781 WeakPolarHBondContact O-CB 3.35Å; L777-L781 VanDerWaalsContact O-CG 3.23Å; L777-L781 WeakPolarHBondContact O-CG 3.15Å; L777-L781 PolarHBondContact O-N 3.22Å; L781-L783 VanDerWaalsContact C-N 3.32Å; L781-L783 HydrophobicContact CB-CD1 3.98Å; L781-L783 HydrophobicContact CB-CG 3.89Å; L781-L783 HydrophobicContact CD1-CD1 4.04Å; L781-T871 WeakPolarHBondContact O-CB 3.46Å; L781-T871 WeakPolarHBondContact O-CG2 3.49Å
782G82.1Confident88.7Confident15 Ų1521.3 Ų21.316%0.15512%0.121CC..THydrogen-bonded Turntrans66.132.6-177.500000113.3T778 T871 F873T778-G782 PolarHBondContact O-N 3.37Å; G782-T871 CarbonylContact O-C 3.46Å; G782-T871 VanDerWaalsContact O-C 3.32Å; G782-T871 WeakPolarHBondContact O-CA 3.39Å; G782-T871 VanDerWaalsContact O-O 3.06Å; G782-F873 WeakPolarHBondContact O-CD1 3.44Å; G782-F873 VanDerWaalsContact O-CE1 3.31Å; G782-F873 WeakPolarHBondContact O-CE1 3.2Å
783L88.3Confident88.6Confident13 Ų1320.5 Ų20.57%0.06812%0.117CC..PPolyproline II helixtrans-86.5156.6178.5-63171.7000110.7T778 L781 V849 L870 T871 F873T778-L783 HydrophobicContact CG2-CB 4.03Å; T778-L783 WeakPolarHBondContact CG2-O 3.29Å; T778-L783 PolarHBondContact O-N 3.36Å; L781-L783 VanDerWaalsContact C-N 3.32Å; L781-L783 HydrophobicContact CB-CD1 3.98Å; L781-L783 HydrophobicContact CB-CG 3.89Å; L781-L783 HydrophobicContact CD1-CD1 4.04Å; L783-V849 HydrophobicContact CD1-CG1 3.68Å; L783-L870 HydrophobicContact CD2-CB 4.41Å; L783-L870 HydrophobicContact CD2-CD2 3.73Å; L783-L870 HydrophobicContact CD2-CG 3.62Å; L783-T871 HydrophobicContact CD2-CG2 3.77Å; L783-F873 VanDerWaalsContact C-CE1 3.46Å
784P87.8Confident88.6Confident13 Ų1322 Ų228%0.08412%0.118CC..PPolyproline II helixtrans-56.6146.5168.8-22.332000111.6T778 A786 F856 L870 F873 F891T778-P784 WeakPolarHBondContact CG2-O 3.45Å; P784-A786 PolarHBondContact O-N 2.85Å; P784-A786 VanDerWaalsContact O-N 3.13Å; P784-F856 HydrophobicContact CB-CE2 4.4Å; P784-F856 HydrophobicContact CB-CZ 4.39Å; P784-F856 HydrophobicContact CG-CE2 4.25Å; P784-F856 HydrophobicContact CG-CZ 4.21Å; P784-L870 HydrophobicContact CG-CD1 3.87Å; P784-F873 HydrophobicContact CG-CB 4.34Å; P784-F873 HydrophobicContact CG-CD1 3.89Å; P784-F873 HydrophobicContact CG-CD2 4.18Å; P784-F873 HydrophobicContact CG-CE1 4.23Å; P784-F873 HydrophobicContact CG-CE2 4.49Å; P784-F873 HydrophobicContact CG-CG 3.86Å; P784-F891 HydrophobicContact CG-CB 4.37Å; P784-F891 HydrophobicContact CG-CD1 3.9Å
785E86.2Confident88.6Confident47 Ų4722 Ų2222%0.2212%0.118CC..PPolyproline II helixtrans-55.4116.5-177.7-68.3175.8-158.400111.3Y294Y294-E785 WeakPolarHBondContact CE2-OE1 3.16Å; Y294-E785 PolarHBondContact OH-OE1 2.94Å
786A91.9Very high88.6Confident4 Ų421.4 Ų21.43%0.03312%0.115CC..SBendtrans-76.8-32.2178.900000112.5P784 A852 M897 A900P784-A786 PolarHBondContact O-N 2.85Å; P784-A786 VanDerWaalsContact O-N 3.13Å; A786-A852 HydrophobicContact CB-CB 4.12Å; A786-M897 WeakPolarHBondContact O-CA 3.3Å; A786-A900 HydrophobicContact CB-CB 4.11Å; A786-A900 WeakPolarHBondContact O-CB 3.47Å
787L91.7Very high88.7Confident2 Ų221.4 Ų21.41%0.0112%0.118CC..SBendtrans-141.9143.5-179.9-65169.7000109.8I775 L792 A900 L901 L904I775-L787 HydrophobicContact CD1-CB 4.47Å; L787-L792 HydrophobicContact CB-CD2 4.09Å; L787-L792 HydrophobicContact CB-CG 4.41Å; L787-L792 HydrophobicContact CD1-CD2 3.87Å; L787-A900 HydrophobicContact CD2-CB 4.04Å; L787-A900 HydrophobicContact CG-CB 4.25Å; L787-L901 HydrophobicContact CD2-CB 3.86Å; L787-L901 HydrophobicContact CD2-CD1 4.19Å; L787-L904 HydrophobicContact CD1-CD2 3.85Å
788I87.9Confident88.7Confident22 Ų2220.5 Ų20.511%0.11312%0.115CC..  trans-110.2158.5178.960.7164.8000111.8V790 Q791 L792 M897 K958I788-V790 VanDerWaalsContact C-N 3.31Å; I788-V790 PolarHBondContact O-N 3.32Å; I788-Q791 HydrophobicContact CD1-CG 4.27Å; I788-Q791 HydrophobicContact CG1-CB 4.26Å; I788-Q791 HydrophobicContact CG1-CG 3.61Å; I788-Q791 VanDerWaalsContact N-OE1 3.14Å; I788-Q791 WeakPolarHBondContact O-CB 3.42Å; I788-Q791 PolarHBondContact O-N 3.43Å; I788-L792 PolarHBondContact O-N 2.88Å; I788-M897 HydrophobicContact CG2-SD 4.22Å; I788-K958 HydrophobicContact CD1-CB 4.22Å; I788-K958 HydrophobicContact CD1-CD 4.33Å; I788-K958 HydrophobicContact CD1-CG 4.14Å
789P85.1Confident89Confident4 Ų420.1 Ų20.13%0.02611%0.112CC..Hα-helixtrans-54.6-40.6-175-27.635000114.6E90 A301 Q791 L792 L793E90-P789 HydrophobicContact CG-CB 4.15Å; A301-P789 HydrophobicContact CB-CG 3.74Å; P789-Q791 VanDerWaalsContact C-N 3.27Å; P789-Q791 PolarHBondContact O-N 3.08Å; P789-L792 PolarHBondContact O-N 2.82Å; P789-L793 WeakPolarHBondContact O-CG 3.49Å; P789-L793 PolarHBondContact O-N 2.93Å
790V86.6Confident89.5Confident14 Ų1419.8 Ų19.89%0.08511%0.11CC..Hα-helixtrans-62.9-34.8-179.1-179.30000111.8V89 E90 I788 W794 I956 F957V89-V790 HydrophobicContact CG1-CG1 4.42Å; E90-V790 HydrophobicContact CB-CG2 3.87Å; E90-V790 HydrophobicContact CG-CG2 4.19Å; I788-V790 VanDerWaalsContact C-N 3.31Å; I788-V790 PolarHBondContact O-N 3.32Å; V790-W794 PolarHBondContact O-N 3.32Å; V790-I956 HydrophobicContact CG1-CG2 4.5Å; V790-F957 HydrophobicContact CG1-CD1 3.81Å; V790-F957 HydrophobicContact CG1-CE1 3.76Å
791Q92.3Very high89.9Confident1 Ų118.4 Ų18.41%0.00510%0.099CC..Hα-helixtrans-70.4-46.4175.7-65.3165.4-7.300110.9I788 P789 L793 W794 V795 L901 F957I788-Q791 HydrophobicContact CD1-CG 4.27Å; I788-Q791 HydrophobicContact CG1-CB 4.26Å; I788-Q791 HydrophobicContact CG1-CG 3.61Å; I788-Q791 VanDerWaalsContact N-OE1 3.14Å; I788-Q791 WeakPolarHBondContact O-CB 3.42Å; I788-Q791 PolarHBondContact O-N 3.43Å; P789-Q791 VanDerWaalsContact C-N 3.27Å; P789-Q791 PolarHBondContact O-N 3.08Å; Q791-L793 PolarHBondContact O-N 3.31Å; Q791-W794 WeakPolarHBondContact O-CB 3.32Å; Q791-W794 PolarHBondContact O-N 2.95Å; Q791-W794 VanDerWaalsContact O-N 3.14Å; Q791-V795 WeakPolarHBondContact O-CG2 3.43Å; Q791-V795 PolarHBondContact O-N 3.25Å; Q791-L901 HydrophobicContact CB-CD1 4.21Å; Q791-L901 HydrophobicContact CB-CD2 4.44Å; Q791-L901 HydrophobicContact CG-CD2 4.26Å; Q791-F957 HydrophobicContact CG-CD1 4.44Å; Q791-F957 WeakPolarHBondContact CG-O 3.41Å; Q791-F957 PolarHBondContact NE2-O 3.37Å
792L91Very high90.3Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-60.9-43.6179.9-61.8172.5000111.6A305 E771 I775 L787 I788 P789 W794 V795 N796 L904A305-L792 HydrophobicContact CB-CD1 3.76Å; E771-L792 HydrophobicContact CB-CD2 4.13Å; E771-L792 HydrophobicContact CG-CD2 3.88Å; I775-L792 HydrophobicContact CD1-CD1 4.43Å; L787-L792 HydrophobicContact CB-CD2 4.09Å; L787-L792 HydrophobicContact CB-CG 4.41Å; L787-L792 HydrophobicContact CD1-CD2 3.87Å; I788-L792 PolarHBondContact O-N 2.88Å; P789-L792 PolarHBondContact O-N 2.82Å; L792-W794 VanDerWaalsContact C-N 3.28Å; L792-W794 PolarHBondContact O-N 3.12Å; L792-V795 PolarHBondContact O-N 2.67Å; L792-V795 VanDerWaalsContact O-N 3.1Å; L792-N796 WeakPolarHBondContact O-CB 3.31Å; L792-N796 PolarHBondContact O-N 2.98Å; L792-L904 HydrophobicContact CD2-CD2 4.41Å
793L88.4Confident90.9Very high5 Ų516.8 Ų16.83%0.0269%0.086CC..Hα-helixtrans-59.1-38.9175.4-71.8172000112.3V93 I94 I97 V304 E309 P789 Q791 L797V93-L793 HydrophobicContact CB-CD1 4.48Å; V93-L793 HydrophobicContact CG1-CD1 3.88Å; I94-L793 HydrophobicContact CG1-CD1 3.8Å; I97-L793 HydrophobicContact CD1-CD2 3.82Å; V304-L793 HydrophobicContact CG1-CD1 4.44Å; V304-L793 HydrophobicContact CG1-CD2 3.61Å; V304-L793 HydrophobicContact CG1-CG 3.72Å; E309-L793 HydrophobicContact CG-CD2 4.3Å; E309-L793 WeakPolarHBondContact OE1-CD2 3.33Å; P789-L793 WeakPolarHBondContact O-CG 3.49Å; P789-L793 PolarHBondContact O-N 2.93Å; Q791-L793 PolarHBondContact O-N 3.31Å; L793-L797 WeakPolarHBondContact O-CB 3.46Å; L793-L797 PolarHBondContact O-N 2.85Å
794W92.4Very high91.3Very high66 Ų6616.1 Ų16.125%0.258%0.083CC..Hα-helixtrans-69.5-37.9175.6-179.8-93000112.4V790 Q791 L792 V798 T799 L943 I947 F957V790-W794 PolarHBondContact O-N 3.32Å; Q791-W794 WeakPolarHBondContact O-CB 3.32Å; Q791-W794 PolarHBondContact O-N 2.95Å; Q791-W794 VanDerWaalsContact O-N 3.14Å; L792-W794 VanDerWaalsContact C-N 3.28Å; L792-W794 PolarHBondContact O-N 3.12Å; W794-V798 HydrophobicContact CD2-CB 4.19Å; W794-V798 HydrophobicContact CD2-CG2 4.15Å; W794-V798 HydrophobicContact CE3-CB 4.43Å; W794-V798 HydrophobicContact CE3-CG2 3.9Å; W794-V798 HydrophobicContact CH2-CG1 4.23Å; W794-V798 HydrophobicContact CH2-CG2 4.27Å; W794-V798 HydrophobicContact CZ2-CB 4.31Å; W794-V798 HydrophobicContact CZ2-CG1 3.92Å; W794-V798 HydrophobicContact CZ2-CG2 4.49Å; W794-V798 HydrophobicContact CZ3-CG2 3.97Å; W794-V798 WeakPolarHBondContact O-CB 3.4Å; W794-V798 PolarHBondContact O-N 3.14Å; W794-T799 PolarHBondContact O-N 3.37Å; W794-T799 VanDerWaalsContact O-N 3.11Å; W794-T799 PolarHBondContact O-OG1 3.06Å; W794-L943 HydrophobicContact CZ2-CB 4.48Å; W794-I947 HydrophobicContact CZ2-CG2 3.9Å; W794-F957 HydrophobicContact CB-CE1 3.66Å; W794-F957 HydrophobicContact CB-CZ 4.15Å; W794-F957 HydrophobicContact CD2-CE1 4.33Å; W794-F957 AromaticContact CD2-CZ 3.92Å; W794-F957 HydrophobicContact CD2-CZ 3.92Å; W794-F957 HydrophobicContact CE3-CE1 4.47Å; W794-F957 AromaticContact CE3-CZ 3.8Å; W794-F957 HydrophobicContact CE3-CZ 3.8Å; W794-F957 HydrophobicContact CG-CE1 4.01Å; W794-F957 HydrophobicContact CG-CZ 4.08Å
795V93.8Very high91.5Very high0 Ų017 Ų170%09%0.089CC..Iπ-helixtrans-62.9-57.5175.3174.20000110.2Q791 L792 L797 T799 D800 L901 L904 V905Q791-V795 WeakPolarHBondContact O-CG2 3.43Å; Q791-V795 PolarHBondContact O-N 3.25Å; L792-V795 PolarHBondContact O-N 2.67Å; L792-V795 VanDerWaalsContact O-N 3.1Å; V795-L797 VanDerWaalsContact C-N 3.34Å; V795-L797 PolarHBondContact O-N 2.96Å; V795-T799 WeakPolarHBondContact O-CB 3.21Å; V795-T799 PolarHBondContact O-N 3.38Å; V795-T799 VanDerWaalsContact O-N 3.11Å; V795-D800 PolarHBondContact O-N 3.13Å; V795-L901 HydrophobicContact CG2-CD1 3.51Å; V795-L904 HydrophobicContact CG1-CD2 4.09Å; V795-L904 HydrophobicContact CG1-CG 4.36Å; V795-L904 HydrophobicContact CG2-CD2 4.2Å; V795-V905 HydrophobicContact CG2-CG2 4.33Å
796N91.1Very high91.9Very high2 Ų215 Ų151%0.0118%0.08CC..Iπ-helixtrans-63.6-35-175.3-70.7-22.6000113.5E309 N768 E771 L792E309-N796 WeakPolarHBondContact OE2-CB 3.47Å; E309-N796 PolarHBondContact OE2-ND2 2.9Å; N768-N796 PolarHBondContact ND2-ND2 3.37Å; N768-N796 VanDerWaalsContact ND2-ND2 3.14Å; E771-N796 PolarHBondContact OE1-OD1 2.88Å; E771-N796 PolarHBondContact OE2-ND2 3.27Å; E771-N796 PolarHBondContact OE2-OD1 3.48Å; L792-N796 WeakPolarHBondContact O-CB 3.31Å; L792-N796 PolarHBondContact O-N 2.98Å
797L89Confident92Very high68 Ų6814.9 Ų14.936%0.3568%0.078SC..Iπ-helixtrans-87.4-44.6-177.8-17265000113.4I97 L793 V795I97-L797 HydrophobicContact CD1-CD2 4.32Å; I97-L797 HydrophobicContact CG1-CD2 4.3Å; L793-L797 WeakPolarHBondContact O-CB 3.46Å; L793-L797 PolarHBondContact O-N 2.85Å; V795-L797 VanDerWaalsContact C-N 3.34Å; V795-L797 PolarHBondContact O-N 2.96Å
798V92.6Very high92Very high32 Ų3214.9 Ų14.919%0.1948%0.079CC..Iπ-helixtrans-107.6-55.2-169.1-177.20000111.2W794 L802 L943W794-V798 HydrophobicContact CD2-CB 4.19Å; W794-V798 HydrophobicContact CD2-CG2 4.15Å; W794-V798 HydrophobicContact CE3-CB 4.43Å; W794-V798 HydrophobicContact CE3-CG2 3.9Å; W794-V798 HydrophobicContact CH2-CG1 4.23Å; W794-V798 HydrophobicContact CH2-CG2 4.27Å; W794-V798 HydrophobicContact CZ2-CB 4.31Å; W794-V798 HydrophobicContact CZ2-CG1 3.92Å; W794-V798 HydrophobicContact CZ2-CG2 4.49Å; W794-V798 HydrophobicContact CZ3-CG2 3.97Å; W794-V798 WeakPolarHBondContact O-CB 3.4Å; W794-V798 PolarHBondContact O-N 3.14Å; V798-L802 WeakPolarHBondContact O-CG 3.48Å; V798-L802 PolarHBondContact O-N 3.47Å; V798-L943 HydrophobicContact CG1-CD1 3.72Å
799T94.4Very high92.1Very high0 Ų017 Ų170%09%0.088CC..Iπ-helixtrans-63.8-49.2-172.6-51.50000110.8W794 V795 P803 V905 M909 S940W794-T799 PolarHBondContact O-N 3.37Å; W794-T799 VanDerWaalsContact O-N 3.11Å; W794-T799 PolarHBondContact O-OG1 3.06Å; V795-T799 WeakPolarHBondContact O-CB 3.21Å; V795-T799 PolarHBondContact O-N 3.38Å; V795-T799 VanDerWaalsContact O-N 3.11Å; T799-P803 WeakPolarHBondContact O-CD 3.49Å; T799-P803 WeakPolarHBondContact O-CG 3.44Å; T799-V905 HydrophobicContact CG2-CB 4.29Å; T799-V905 HydrophobicContact CG2-CG1 3.76Å; T799-V905 HydrophobicContact CG2-CG2 3.85Å; T799-M909 HydrophobicContact CG2-CE 3.99Å; T799-S940 PolarHBondContact O-OG 3.37Å
800D95.4Very high92.2Very high0 Ų017.2 Ų17.20%09%0.089CC..THydrogen-bonded Turntrans-88.6-28.6-179.9-70.4-7000112.1Y763 L764 S767 V795 L802 P803 A804 E908Y763-D800 HydrophobicContact CE1-CB 4.13Å; Y763-D800 WeakPolarHBondContact OH-CA 3.2Å; Y763-D800 PolarHBondContact OH-OD1 2.84Å; L764-D800 HydrophobicContact CD2-CB 3.74Å; S767-D800 WeakPolarHBondContact CB-OD2 3.44Å; S767-D800 PolarHBondContact OG-OD2 3.04Å; V795-D800 PolarHBondContact O-N 3.13Å; D800-L802 VanDerWaalsContact C-N 3.28Å; D800-L802 PolarHBondContact O-N 2.88Å; D800-P803 WeakPolarHBondContact O-CD 3.45Å; D800-A804 WeakPolarHBondContact O-CB 3.35Å; D800-A804 PolarHBondContact O-N 3.06Å; D800-E908 WeakPolarHBondContact OD1-CB 3.37Å
801G93.3Very high92.2Very high5 Ų519.3 Ų19.35%0.05210%0.102CC..Hα-helixtrans-58.9-36.8177.900000113.4T805G801-T805 WeakPolarHBondContact O-CB 3.44Å; G801-T805 PolarHBondContact O-N 3.41Å; G801-T805 PolarHBondContact O-OG1 3.26Å
802L94.8Very high91.8Very high54 Ų5422.6 Ų22.628%0.28312%0.124SC..Hα-helixtrans-67.6-56.5178-73.7174.3000112.6V798 D800 A804 T805 A806 L939 L943V798-L802 WeakPolarHBondContact O-CG 3.48Å; V798-L802 PolarHBondContact O-N 3.47Å; D800-L802 VanDerWaalsContact C-N 3.28Å; D800-L802 PolarHBondContact O-N 2.88Å; L802-A804 VanDerWaalsContact C-N 3.34Å; L802-A804 PolarHBondContact O-N 3.48Å; L802-T805 PolarHBondContact O-N 3.47Å; L802-A806 PolarHBondContact O-N 3.31Å; L802-L939 HydrophobicContact CD1-CB 4.4Å; L802-L939 HydrophobicContact CD1-CD2 3.75Å; L802-L939 HydrophobicContact CD1-CG 3.82Å; L802-L939 HydrophobicContact CD2-CD2 4.28Å; L802-L943 HydrophobicContact CD1-CD1 3.77Å
803P96Very high91.1Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-58.1-40.2172.2-23.331.1000113.7Y763 T799 D800 T805 A806 L807 M909 A912 L933 S936 S940Y763-P803 HydrophobicContact CE1-CB 4.12Å; T799-P803 WeakPolarHBondContact O-CD 3.49Å; T799-P803 WeakPolarHBondContact O-CG 3.44Å; D800-P803 WeakPolarHBondContact O-CD 3.45Å; P803-T805 VanDerWaalsContact C-N 3.31Å; P803-T805 PolarHBondContact O-N 2.93Å; P803-A806 CarbonylContact O-C 3Å; P803-A806 WeakPolarHBondContact O-CA 3.36Å; P803-A806 WeakPolarHBondContact O-CB 3.39Å; P803-A806 PolarHBondContact O-N 3.18Å; P803-L807 WeakPolarHBondContact O-CG 3.46Å; P803-L807 PolarHBondContact O-N 3.23Å; P803-M909 HydrophobicContact CG-CE 3.69Å; P803-M909 HydrophobicContact CG-SD 3.92Å; P803-A912 HydrophobicContact CB-CB 3.83Å; P803-L933 HydrophobicContact CB-CD1 4.02Å; P803-S936 WeakPolarHBondContact CA-OG 3.05Å; P803-S940 WeakPolarHBondContact CD-OG 3.08Å
804A94.9Very high90.5Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-59.8-43.3177.100000111.4V314 F760 Y763 L764 D800 L802 A806 L807 G808V314-A804 HydrophobicContact CG1-CB 3.91Å; V314-A804 HydrophobicContact CG2-CB 4.06Å; F760-A804 HydrophobicContact CB-CB 4.12Å; F760-A804 WeakPolarHBondContact CB-O 3.41Å; Y763-A804 HydrophobicContact CD1-CB 3.9Å; Y763-A804 HydrophobicContact CE1-CB 3.95Å; L764-A804 HydrophobicContact CD1-CB 3.96Å; L764-A804 HydrophobicContact CD2-CB 3.85Å; L764-A804 HydrophobicContact CG-CB 3.89Å; D800-A804 WeakPolarHBondContact O-CB 3.35Å; D800-A804 PolarHBondContact O-N 3.06Å; L802-A804 VanDerWaalsContact C-N 3.34Å; L802-A804 PolarHBondContact O-N 3.48Å; A804-A806 VanDerWaalsContact C-N 3.32Å; A804-A806 PolarHBondContact O-N 2.85Å; A804-L807 PolarHBondContact O-N 3Å; A804-G808 PolarHBondContact O-N 2.66Å
805T93.4Very high90Very high32 Ų3232.5 Ų32.520%0.19618%0.181CC..Hα-helixtrans-63.7-39.4173.5-56.90000111.6T317 G801 L802 P803 L807 G808 F809T317-T805 HydrophobicContact CG2-CG2 3.74Å; G801-T805 WeakPolarHBondContact O-CB 3.44Å; G801-T805 PolarHBondContact O-N 3.41Å; G801-T805 PolarHBondContact O-OG1 3.26Å; L802-T805 PolarHBondContact O-N 3.47Å; P803-T805 VanDerWaalsContact C-N 3.31Å; P803-T805 PolarHBondContact O-N 2.93Å; T805-L807 PolarHBondContact O-N 3.33Å; T805-G808 PolarHBondContact O-N 3.45Å; T805-G808 VanDerWaalsContact O-N 3.12Å; T805-F809 WeakPolarHBondContact O-CD2 3.3Å
806A94.4Very high89.6Confident5 Ų532.9 Ų32.94%0.04118%0.183CC..Hα-helixtrans-66.8-34.5178.900000113.2L802 P803 A804 G808 F809 N930 W932 L933 S936L802-A806 PolarHBondContact O-N 3.31Å; P803-A806 CarbonylContact O-C 3Å; P803-A806 WeakPolarHBondContact O-CA 3.36Å; P803-A806 WeakPolarHBondContact O-CB 3.39Å; P803-A806 PolarHBondContact O-N 3.18Å; A804-A806 VanDerWaalsContact C-N 3.32Å; A804-A806 PolarHBondContact O-N 2.85Å; A806-G808 PolarHBondContact O-N 3.1Å; A806-F809 WeakPolarHBondContact O-CB 3.13Å; A806-F809 PolarHBondContact O-N 3.07Å; A806-N930 PolarHBondContact O-ND2 2.82Å; A806-W932 HydrophobicContact CB-CB 4.37Å; A806-L933 HydrophobicContact CB-CB 4.26Å; A806-L933 HydrophobicContact CB-CD1 4.07Å; A806-S936 WeakPolarHBondContact CB-OG 3.26Å
807L93.8Very high89.6Confident0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-62-25172.2-71.7173.5000112.4F760 Y763 P803 A804 T805 F809 N810 S915 L933F760-L807 HydrophobicContact CB-CB 3.93Å; F760-L807 HydrophobicContact CB-CD1 4.09Å; Y763-L807 HydrophobicContact CD1-CD1 3.99Å; Y763-L807 HydrophobicContact CG-CD1 4.07Å; P803-L807 WeakPolarHBondContact O-CG 3.46Å; P803-L807 PolarHBondContact O-N 3.23Å; A804-L807 PolarHBondContact O-N 3Å; T805-L807 PolarHBondContact O-N 3.33Å; L807-F809 PolarHBondContact O-N 2.77Å; L807-N810 WeakPolarHBondContact O-CB 3.4Å; L807-N810 VanDerWaalsContact O-CG 3.27Å; L807-N810 PolarHBondContact O-N 2.78Å; L807-N810 VanDerWaalsContact O-N 3.08Å; L807-S915 WeakPolarHBondContact CD2-O 3.15Å; L807-L933 HydrophobicContact CD2-CD1 4.16Å; L807-L933 HydrophobicContact CD2-CD2 3.97Å; L807-L933 HydrophobicContact CG-CD1 4.17Å
808G90.9Very high89.6Confident3 Ų335.9 Ų35.93%0.03120%0.199CC..THydrogen-bonded Turntrans-55.4-20.5167.700000114.2N756 A804 T805 A806N756-G808 PolarHBondContact ND2-O 3.47Å; A804-G808 PolarHBondContact O-N 2.66Å; T805-G808 PolarHBondContact O-N 3.45Å; T805-G808 VanDerWaalsContact O-N 3.12Å; A806-G808 PolarHBondContact O-N 3.1Å
809F89.4Confident89.3Confident67 Ų6739.3 Ų39.329%0.29421%0.208SC..THydrogen-bonded Turntrans-102.514179.4-60.6-87.1000114.5L321 T805 A806 L807 W932L321-F809 HydrophobicContact CD1-CE1 4.05Å; L321-F809 HydrophobicContact CD1-CE2 3.86Å; L321-F809 HydrophobicContact CD1-CZ 3.29Å; L321-F809 HydrophobicContact CD2-CZ 4.26Å; L321-F809 HydrophobicContact CG-CZ 4.28Å; T805-F809 WeakPolarHBondContact O-CD2 3.3Å; A806-F809 WeakPolarHBondContact O-CB 3.13Å; A806-F809 PolarHBondContact O-N 3.07Å; L807-F809 PolarHBondContact O-N 2.77Å; F809-W932 HydrophobicContact CB-CG 4.47Å; F809-W932 HydrophobicContact CD2-CB 4.47Å; F809-W932 HydrophobicContact CG-CG 4.45Å
810N89.1Confident89.2Confident8 Ų844 Ų444%0.04324%0.239CC..PPolyproline II helixtrans-58.1143.4172.6-73.8-8.4000110.7N756 L807 L916 N930N756-N810 PolarHBondContact ND2-N 3.04Å; N756-N810 PolarHBondContact ND2-O 2.95Å; N756-N810 WeakPolarHBondContact OD1-CB 3.39Å; L807-N810 WeakPolarHBondContact O-CB 3.4Å; L807-N810 VanDerWaalsContact O-CG 3.27Å; L807-N810 PolarHBondContact O-N 2.78Å; L807-N810 VanDerWaalsContact O-N 3.08Å; N810-L916 PolarHBondContact ND2-O 2.65Å; N810-L916 WeakPolarHBondContact OD1-CD2 3.36Å; N810-N930 PolarHBondContact OD1-ND2 3.46Å
811P84.9Confident89.2Confident57 Ų5745.2 Ų45.237%0.3725%0.247SC..PPolyproline II helixtrans-64.4144.7176.128.5-34.9000110.4V929P811-V929 HydrophobicContact CG-CG1 3.48Å; P811-V929 VanDerWaalsContact CG-CG1 3.48Å
812P84Confident89Confident70 Ų7046.5 Ų46.546%0.45525%0.25SS..PPolyproline II helixtrans-66.7152.6175.629-34.4000111.5A752 I816A752-P812 HydrophobicContact CB-CB 3.81Å; P812-I816 HydrophobicContact CB-CD1 4.36Å
813D77.3Confident88.8Confident49 Ų4947.1 Ų47.126%0.26226%0.259SS..PPolyproline II helixtrans-62.2144.8169.5-76.7-10.6000110.8D815 I816 R819D813-D815 VanDerWaalsContact C-N 3.31Å; D813-D815 PolarHBondContact O-N 3.14Å; D813-I816 HydrophobicContact CB-CB 4.39Å; D813-I816 WeakPolarHBondContact O-CB 3.29Å; D813-I816 WeakPolarHBondContact O-CG2 3.37Å; D813-I816 PolarHBondContact O-N 3.22Å; D813-R819 IonicContact OD2-CZ 3.09Å; D813-R819 IonicContact OD2-NH1 2.66Å; D813-R819 PolarHBondContact OD2-NH1 3.32Å; D813-R819 IonicContact OD2-NH2 3.86Å; D813-R819 PolarHBondContact OD2-NH2 3.17Å
814L76.1Confident88.4Confident181 Ų18148.7 Ų48.795%0.94827%0.269SS*.THydrogen-bonded Turntrans-69.2-29.1-179.9-64.6175.4000112.9
815D81.5Confident88Confident49 Ų4955 Ų5526%0.26230%0.296SS..THydrogen-bonded Turntrans-96.617.7-177.864.8-40000112.5D813 M817 D818 R819D813-D815 VanDerWaalsContact C-N 3.31Å; D813-D815 PolarHBondContact O-N 3.14Å; D815-M817 PolarHBondContact O-N 2.86Å; D815-D818 HydrophobicContact CB-CB 4.34Å; D815-D818 PolarHBondContact O-N 3.35Å; D815-R819 PolarHBondContact O-N 3.46Å; D815-R819 IonicContact OD1-CZ 3.97Å; D815-R819 IonicContact OD1-NE 3.23Å; D815-R819 IonicContact OD1-NH2 3.37Å; D815-R819 PolarHBondContact OD1-NH2 3.46Å; D815-R819 IonicContact OD2-CZ 3.36Å; D815-R819 VanDerWaalsContact OD2-CZ 3.25Å; D815-R819 IonicContact OD2-NE 2.66Å; D815-R819 PolarHBondContact OD2-NE 3.34Å; D815-R819 IonicContact OD2-NH2 3.54Å; D815-R819 PolarHBondContact OD2-NH2 3.37Å
816I85.8Confident87.6Confident9 Ų956.6 Ų56.65%0.04630%0.301CS..THydrogen-bonded Turntrans-63.9-27-172.8-159.1159.9000113.7E748 R751 A752 P812 D813E748-I816 HydrophobicContact CG-CG2 4.05Å; R751-I816 HydrophobicContact CB-CD1 3.76Å; R751-I816 HydrophobicContact CB-CG1 3.7Å; R751-I816 WeakPolarHBondContact CD-O 3.49Å; R751-I816 PolarHBondContact NH1-O 3.4Å; A752-I816 HydrophobicContact CB-CD1 3.96Å; P812-I816 HydrophobicContact CB-CD1 4.36Å; D813-I816 HydrophobicContact CB-CB 4.39Å; D813-I816 WeakPolarHBondContact O-CB 3.29Å; D813-I816 WeakPolarHBondContact O-CG2 3.37Å; D813-I816 PolarHBondContact O-N 3.22Å
817M90.8Very high87.2Confident19 Ų1958.8 Ų58.89%0.09432%0.316CS..THydrogen-bonded Turntrans-96.10.9175.5-68.2-59.2-72.700113.5D616 A617 V744 E748 D815D616-M817 CarbonylContact C-O 3.43Å; A617-M817 WeakPolarHBondContact CA-O 3.19Å; A617-M817 HydrophobicContact CB-CE 3.77Å; A617-M817 VanDerWaalsContact CB-O 3.26Å; A617-M817 WeakPolarHBondContact CB-O 3.36Å; A617-M817 HydrophobicContact CB-SD 4.37Å; A617-M817 PolarHBondContact N-O 2.97Å; V744-M817 HydrophobicContact CG1-CE 3.78Å; E748-M817 HydrophobicContact CB-CG 4.12Å; E748-M817 HydrophobicContact CB-SD 3.7Å; E748-M817 HydrophobicContact CG-CG 3.82Å; E748-M817 HydrophobicContact CG-SD 4.04Å; D815-M817 PolarHBondContact O-N 2.86Å
818D89.1Confident86.7Confident113 Ų11359.4 Ų59.460%0.60432%0.319SS*.THydrogen-bonded Turntrans-98.7-10.2175.5-58.2-35.9000111.9D815D815-D818 HydrophobicContact CB-CB 4.34Å; D815-D818 PolarHBondContact O-N 3.35Å
819R85.8Confident86.3Confident105 Ų10561.2 Ų61.240%0.39633%0.327SS..SBendtrans-88.8147.5176.6-63.4-177.6-168.4159.49.4110.9A617 R751 D813 D815A617-R819 CarbonylContact C-O 3.49Å; A617-R819 VanDerWaalsContact O-O 3.07Å; R751-R819 PolarHBondContact NH1-O 3.5Å; D813-R819 IonicContact OD2-CZ 3.09Å; D813-R819 IonicContact OD2-NH1 2.66Å; D813-R819 PolarHBondContact OD2-NH1 3.32Å; D813-R819 IonicContact OD2-NH2 3.86Å; D813-R819 PolarHBondContact OD2-NH2 3.17Å; D815-R819 PolarHBondContact O-N 3.46Å; D815-R819 IonicContact OD1-CZ 3.97Å; D815-R819 IonicContact OD1-NE 3.23Å; D815-R819 IonicContact OD1-NH2 3.37Å; D815-R819 PolarHBondContact OD1-NH2 3.46Å; D815-R819 IonicContact OD2-CZ 3.36Å; D815-R819 VanDerWaalsContact OD2-CZ 3.25Å; D815-R819 IonicContact OD2-NE 2.66Å; D815-R819 PolarHBondContact OD2-NE 3.34Å; D815-R819 IonicContact OD2-NH2 3.54Å; D815-R819 PolarHBondContact OD2-NH2 3.37Å
820P92.9Very high86Confident98 Ų9861.1 Ų61.164%0.63634%0.335SS*.PPolyproline II helixtrans-65.7164.9172.830-35.8000111.5
821P93.9Very high86Confident26 Ų2663.7 Ų63.717%0.16936%0.363CS..PPolyproline II helixtrans-57.1140.2173.3-20.933.3000111.1A617 G618 I619A617-P821 WeakPolarHBondContact O-CD 3.49Å; G618-P821 WeakPolarHBondContact O-CD 3.26Å; I619-P821 HydrophobicContact CG1-CG 4.04Å
822R90.1Very high86.1Confident32 Ų3264.6 Ų64.612%0.12136%0.359CS..PPolyproline II helixtrans-61.5139.5176.9-166.4-178.869.2105.3-9.7110.4E340 C344 Y754 E826E340-R822 IonicContact OE1-NH2 2.77Å; E340-R822 PolarHBondContact OE1-NH2 3.33Å; C344-R822 PolarHBondContact SG-NE 3.46Å; Y754-R822 VanDerWaalsContact CZ-NE 3.28Å; Y754-R822 PolarHBondContact OH-NH1 3.12Å; R822-E826 WeakPolarHBondContact CD-OE2 3.29Å; R822-E826 HydrophobicContact CG-CB 4.32Å; R822-E826 WeakPolarHBondContact CG-OE2 3.36Å; R822-E826 PolarHBondContact NH1-O 2.81Å
823S90.5Very high86.3Confident66 Ų6661.9 Ų61.946%0.46234%0.341SS..PPolyproline II helixtrans-67.6131.2169.8-176.30000110.2K825 E826S823-K825 PolarHBondContact O-N 2.89Å; S823-K825 VanDerWaalsContact O-N 3.1Å; S823-K825 PolarHBondContact OG-N 3.01Å; S823-E826 VanDerWaalsContact O-CB 3.31Å; S823-E826 WeakPolarHBondContact O-CB 3.29Å; S823-E826 PolarHBondContact O-N 3.26Å
824P88Confident86.8Confident33 Ų3365.3 Ų65.321%0.21435%0.354CS..THydrogen-bonded Turntrans-59.1-24.2174.8-26.336.5000113.3I697 E826I697-P824 HydrophobicContact CD1-CB 4.28Å; I697-P824 HydrophobicContact CD1-CG 3.69Å; I697-P824 HydrophobicContact CG1-CG 3.59Å; P824-E826 VanDerWaalsContact C-N 3.32Å
825K86.9Confident87.6Confident133 Ų13362 Ų6258%0.57833%0.332SS*.THydrogen-bonded Turntrans-84.4-4.5179.7-62.2-178.2-175.9169.50113.2D695 S823 P827D695-K825 IonicContact OD1-NZ 3.73Å; D695-K825 VanDerWaalsContact OD2-CE 3.27Å; D695-K825 WeakPolarHBondContact OD2-CE 3.26Å; D695-K825 IonicContact OD2-NZ 3.06Å; D695-K825 PolarHBondContact OD2-NZ 3.41Å; S823-K825 PolarHBondContact O-N 2.89Å; S823-K825 VanDerWaalsContact O-N 3.1Å; S823-K825 PolarHBondContact OG-N 3.01Å; K825-P827 WeakPolarHBondContact O-CD 3.27Å
826E84.8Confident88.2Confident65 Ų6559.7 Ų59.730%0.30432%0.32SS..  trans-63.4125.7178.6-171.7-168.6149.600110.4K758 R822 S823 P824K758-E826 IonicContact NZ-OE1 2.75Å; K758-E826 PolarHBondContact NZ-OE1 2.93Å; R822-E826 WeakPolarHBondContact CD-OE2 3.29Å; R822-E826 HydrophobicContact CG-CB 4.32Å; R822-E826 WeakPolarHBondContact CG-OE2 3.36Å; R822-E826 PolarHBondContact NH1-O 2.81Å; S823-E826 VanDerWaalsContact O-CB 3.31Å; S823-E826 WeakPolarHBondContact O-CB 3.29Å; S823-E826 PolarHBondContact O-N 3.26Å; P824-E826 VanDerWaalsContact C-N 3.32Å
827P85.4Confident88.3Confident52 Ų5259.7 Ų59.734%0.33832%0.319SS..  trans-73.2153.5176.331.5-36.4000111.9K825 I829K825-P827 WeakPolarHBondContact O-CD 3.27Å; P827-I829 VanDerWaalsContact C-N 3.32Å; P827-I829 PolarHBondContact O-N 3.06Å
828L82.8Confident88.3Confident13 Ų1362.6 Ų62.67%0.06833%0.333CS..SBendtrans-65.6-36.5175-68.5168.1000112.2L249 K252 K758 I761 R762L249-L828 HydrophobicContact CD1-CD1 4.48Å; L249-L828 HydrophobicContact CD1-CD2 4.04Å; K252-L828 HydrophobicContact CB-CD1 4.14Å; K252-L828 HydrophobicContact CB-CG 4.35Å; K758-L828 HydrophobicContact CG-CD2 4.28Å; I761-L828 HydrophobicContact CG2-CD1 4.34Å; R762-L828 PolarHBondContact NE-O 2.89Å; R762-L828 VanDerWaalsContact NE-O 3.13Å
829I82.6Confident88.6Confident41 Ų4158.7 Ų58.721%0.2132%0.317CS..SBendtrans-136.1126.5-178.3-52177.3000108.7R762 I765 P827 F834R762-I829 HydrophobicContact CG-CG1 4.19Å; I765-I829 HydrophobicContact CD1-CD1 4.21Å; I765-I829 HydrophobicContact CG2-CD1 4.13Å; P827-I829 VanDerWaalsContact C-N 3.32Å; P827-I829 PolarHBondContact O-N 3.06Å; I829-F834 VanDerWaalsContact CG2-CA 3.47Å; I829-F834 HydrophobicContact CG2-CB 3.81Å; I829-F834 HydrophobicContact CG2-CD2 4.17Å
830S83.8Confident89Confident65 Ų6553.7 Ų53.746%0.45530%0.298SS..  trans-149.8156.5177.961.80000113W832 L833 F834S830-W832 PolarHBondContact O-N 3.36Å; S830-L833 WeakPolarHBondContact O-CB 3.28Å; S830-L833 PolarHBondContact O-N 3.19Å; S830-F834 PolarHBondContact O-N 3.05Å
831G87.9Confident89Confident62 Ų6249 Ų4964%0.63927%0.268SS*.Hα-helixtrans49.8-116.5168.700000114.3L833 F834 F835G831-L833 VanDerWaalsContact C-N 3.31Å; G831-L833 PolarHBondContact O-N 2.99Å; G831-F834 PolarHBondContact O-N 3.19Å; G831-F835 PolarHBondContact O-N 2.81Å
832W89.1Confident89.1Confident75 Ų7549.1 Ų49.128%0.28427%0.273SS..Hα-helixtrans-60.3-39.1179.4175.8-112.4000113.3S830 F834 F835 R836 L984 I987 L992S830-W832 PolarHBondContact O-N 3.36Å; W832-F834 VanDerWaalsContact C-N 3.33Å; W832-F834 PolarHBondContact O-N 3.15Å; W832-F835 AromaticContact CE3-CD1 3.97Å; W832-F835 HydrophobicContact CE3-CD1 3.97Å; W832-F835 HydrophobicContact CH2-CD1 4.14Å; W832-F835 HydrophobicContact CH2-CE1 4.15Å; W832-F835 AromaticContact CZ3-CD1 3.66Å; W832-F835 HydrophobicContact CZ3-CD1 3.66Å; W832-F835 AromaticContact CZ3-CE1 3.94Å; W832-F835 HydrophobicContact CZ3-CE1 3.94Å; W832-F835 PolarHBondContact O-N 2.88Å; W832-R836 PolarHBondContact O-N 3.43Å; W832-L984 HydrophobicContact CH2-CD2 3.99Å; W832-L984 HydrophobicContact CZ2-CB 4.34Å; W832-L984 HydrophobicContact CZ2-CD2 3.93Å; W832-I987 HydrophobicContact CH2-CB 4.24Å; W832-I987 HydrophobicContact CH2-CD1 4.43Å; W832-I987 HydrophobicContact CH2-CG2 3.75Å; W832-I987 HydrophobicContact CZ2-CB 4Å; W832-I987 HydrophobicContact CZ2-CG2 3.85Å; W832-L992 HydrophobicContact CB-CD1 4.14Å; W832-L992 HydrophobicContact CD2-CD1 3.18Å; W832-L992 VanDerWaalsContact CE2-CD1 3.45Å; W832-L992 HydrophobicContact CE3-CD1 3.49Å; W832-L992 VanDerWaalsContact CE3-CD1 3.49Å; W832-L992 HydrophobicContact CG-CD1 3.48Å; W832-L992 VanDerWaalsContact CG-CD1 3.48Å; W832-L992 HydrophobicContact CH2-CD1 4.22Å; W832-L992 HydrophobicContact CZ2-CD1 3.97Å; W832-L992 HydrophobicContact CZ3-CD1 4Å
833L86.9Confident89.5Confident13 Ų1350.7 Ų50.77%0.06828%0.28CS..Hα-helixtrans-69.3-35.7-176.6-168.571.7000111.7R762 S830 G831 R836 Y837R762-L833 VanDerWaalsContact NE-CD2 3.26Å; S830-L833 WeakPolarHBondContact O-CB 3.28Å; S830-L833 PolarHBondContact O-N 3.19Å; G831-L833 VanDerWaalsContact C-N 3.31Å; G831-L833 PolarHBondContact O-N 2.99Å; L833-R836 PolarHBondContact O-N 3.06Å; L833-Y837 HydrophobicContact CD1-CD2 4.23Å; L833-Y837 HydrophobicContact CD1-CE2 3.52Å; L833-Y837 HydrophobicContact CD2-CE2 3.97Å; L833-Y837 HydrophobicContact CG-CD2 3.92Å; L833-Y837 HydrophobicContact CG-CE2 3.51Å; L833-Y837 VanDerWaalsContact O-CD2 3.27Å; L833-Y837 WeakPolarHBondContact O-CD2 2.9Å; L833-Y837 PolarHBondContact O-N 3.46Å; L833-Y837 VanDerWaalsContact O-N 3.16Å
834F88.9Confident89.7Confident122 Ų12247.5 Ų47.554%0.53526%0.258SS..Hα-helixtrans-58.7-50.2171178.7-100.1000110.9I829 S830 G831 W832 R836 Y837 M838I829-F834 VanDerWaalsContact CG2-CA 3.47Å; I829-F834 HydrophobicContact CG2-CB 3.81Å; I829-F834 HydrophobicContact CG2-CD2 4.17Å; S830-F834 PolarHBondContact O-N 3.05Å; G831-F834 PolarHBondContact O-N 3.19Å; W832-F834 VanDerWaalsContact C-N 3.33Å; W832-F834 PolarHBondContact O-N 3.15Å; F834-R836 VanDerWaalsContact C-N 3.32Å; F834-R836 PolarHBondContact O-N 2.93Å; F834-Y837 PolarHBondContact O-N 3.09Å; F834-M838 HydrophobicContact CD1-CG 4.13Å; F834-M838 HydrophobicContact CE1-CG 3.73Å; F834-M838 HydrophobicContact CE2-CG 4.13Å; F834-M838 HydrophobicContact CE2-SD 4.28Å; F834-M838 HydrophobicContact CZ-CG 3.72Å; F834-M838 HydrophobicContact CZ-SD 3.99Å; F834-M838 VanDerWaalsContact O-CG 3.29Å; F834-M838 WeakPolarHBondContact O-CG 3.34Å; F834-M838 PolarHBondContact O-N 2.85Å
835F93Very high90.1Very high110 Ų11046 Ų4648%0.48225%0.247SC..Hα-helixtrans-58.5-43.1177.5171.2-101.2000112.5G831 W832 Y837 M838 A839 L984G831-F835 PolarHBondContact O-N 2.81Å; W832-F835 AromaticContact CE3-CD1 3.97Å; W832-F835 HydrophobicContact CE3-CD1 3.97Å; W832-F835 HydrophobicContact CH2-CD1 4.14Å; W832-F835 HydrophobicContact CH2-CE1 4.15Å; W832-F835 AromaticContact CZ3-CD1 3.66Å; W832-F835 HydrophobicContact CZ3-CD1 3.66Å; W832-F835 AromaticContact CZ3-CE1 3.94Å; W832-F835 HydrophobicContact CZ3-CE1 3.94Å; W832-F835 PolarHBondContact O-N 2.88Å; F835-Y837 PolarHBondContact O-N 3.35Å; F835-M838 PolarHBondContact O-N 3.1Å; F835-A839 WeakPolarHBondContact O-CB 3.32Å; F835-A839 PolarHBondContact O-N 3.4Å; F835-L984 HydrophobicContact CE1-CD2 4.29Å
836R92.6Very high90.5Very high2 Ų242 Ų421%0.00824%0.24CC..Hα-helixtrans-58-49.4179.5173.7171.1173.3-156.1-8.4112.2W832 L833 F834 A839 I840 E918 D981 L984 K985W832-R836 PolarHBondContact O-N 3.43Å; L833-R836 PolarHBondContact O-N 3.06Å; F834-R836 VanDerWaalsContact C-N 3.32Å; F834-R836 PolarHBondContact O-N 2.93Å; R836-A839 PolarHBondContact O-N 2.88Å; R836-I840 HydrophobicContact CG-CD1 4.07Å; R836-I840 WeakPolarHBondContact O-CG1 3.27Å; R836-I840 PolarHBondContact O-N 3.3Å; R836-E918 PolarHBondContact NH1-O 2.92Å; R836-E918 PolarHBondContact NH2-O 3.45Å; R836-D981 IonicContact CZ-OD1 3.42Å; R836-D981 IonicContact CZ-OD2 3.62Å; R836-D981 IonicContact NE-OD1 2.56Å; R836-D981 PolarHBondContact NE-OD1 3.2Å; R836-D981 IonicContact NH2-OD1 2.76Å; R836-D981 PolarHBondContact NH2-OD1 3Å; R836-D981 IonicContact NH2-OD2 3.61Å; R836-D981 PolarHBondContact NH2-OD2 3.39Å; R836-L984 HydrophobicContact CB-CD1 4.45Å; R836-L984 HydrophobicContact CG-CB 4.23Å; R836-L984 HydrophobicContact CG-CD1 3.88Å; R836-K985 VanDerWaalsContact NH2-CG 3.33Å
837Y88.1Confident91.1Very high8 Ų839.2 Ų39.23%0.03123%0.227CC..Hα-helixtrans-72.9-28.9178.7-66.1-55.1000113.1R762 L833 F834 F835 A839 I840 G841R762-Y837 HydrophobicContact CB-CE2 3.66Å; R762-Y837 HydrophobicContact CG-CE2 3.81Å; L833-Y837 HydrophobicContact CD1-CD2 4.23Å; L833-Y837 HydrophobicContact CD1-CE2 3.52Å; L833-Y837 HydrophobicContact CD2-CE2 3.97Å; L833-Y837 HydrophobicContact CG-CD2 3.92Å; L833-Y837 HydrophobicContact CG-CE2 3.51Å; L833-Y837 VanDerWaalsContact O-CD2 3.27Å; L833-Y837 WeakPolarHBondContact O-CD2 2.9Å; L833-Y837 PolarHBondContact O-N 3.46Å; L833-Y837 VanDerWaalsContact O-N 3.16Å; F834-Y837 PolarHBondContact O-N 3.09Å; F835-Y837 PolarHBondContact O-N 3.35Å; Y837-A839 VanDerWaalsContact C-N 3.32Å; Y837-I840 HydrophobicContact CD1-CD1 4.12Å; Y837-I840 HydrophobicContact CE1-CD1 4.43Å; Y837-I840 PolarHBondContact O-N 2.85Å; Y837-G841 PolarHBondContact O-N 3.43Å
838M90.9Very high91.7Very high81 Ų8136.7 Ų36.740%0.39921%0.211SC..Hα-helixtrans-64.1-37.1168.8-71.8-57.3-5600112.3V769 F834 F835 G842V769-M838 HydrophobicContact CG1-CE 4.34Å; V769-M838 HydrophobicContact CG1-SD 3.94Å; F834-M838 HydrophobicContact CD1-CG 4.13Å; F834-M838 HydrophobicContact CE1-CG 3.73Å; F834-M838 HydrophobicContact CE2-CG 4.13Å; F834-M838 HydrophobicContact CE2-SD 4.28Å; F834-M838 HydrophobicContact CZ-CG 3.72Å; F834-M838 HydrophobicContact CZ-SD 3.99Å; F834-M838 VanDerWaalsContact O-CG 3.29Å; F834-M838 WeakPolarHBondContact O-CG 3.34Å; F834-M838 PolarHBondContact O-N 2.85Å; F835-M838 PolarHBondContact O-N 3.1Å; M838-G842 PolarHBondContact O-N 3.02Å
839A94.8Very high92.3Very high31 Ų3136.7 Ų36.726%0.25621%0.212SC..Hα-helixtrans-69.7-42.3176.100000112.1F835 R836 Y837 Y843 L984F835-A839 WeakPolarHBondContact O-CB 3.32Å; F835-A839 PolarHBondContact O-N 3.4Å; R836-A839 PolarHBondContact O-N 2.88Å; Y837-A839 VanDerWaalsContact C-N 3.32Å; A839-Y843 WeakPolarHBondContact O-CB 3.28Å; A839-Y843 PolarHBondContact O-N 2.74Å; A839-L984 HydrophobicContact CB-CD1 4.38Å
840I95.1Very high93Very high0 Ų036.3 Ų36.30%022%0.218CC..Hα-helixtrans-66.9-49.5176.7-64.4166.7000110.5R836 Y837 G842 Y843 V844 V977 D981R836-I840 HydrophobicContact CG-CD1 4.07Å; R836-I840 WeakPolarHBondContact O-CG1 3.27Å; R836-I840 PolarHBondContact O-N 3.3Å; Y837-I840 HydrophobicContact CD1-CD1 4.12Å; Y837-I840 HydrophobicContact CE1-CD1 4.43Å; Y837-I840 PolarHBondContact O-N 2.85Å; I840-G842 VanDerWaalsContact C-N 3.33Å; I840-G842 PolarHBondContact O-N 3.21Å; I840-Y843 WeakPolarHBondContact O-CA 3.4Å; I840-Y843 VanDerWaalsContact O-CB 3.32Å; I840-Y843 WeakPolarHBondContact O-CB 3.33Å; I840-Y843 PolarHBondContact O-N 2.94Å; I840-Y843 VanDerWaalsContact O-N 3.08Å; I840-V844 HydrophobicContact CG2-CG2 4.31Å; I840-V844 WeakPolarHBondContact O-CG2 3.28Å; I840-V844 PolarHBondContact O-N 2.86Å; I840-V977 HydrophobicContact CG2-CG2 4.08Å; I840-D981 HydrophobicContact CD1-CB 4.36Å; I840-D981 VanDerWaalsContact CD1-OD1 3.32Å; I840-D981 WeakPolarHBondContact CD1-OD1 3.28Å
841G93.9Very high93.6Very high0 Ų033.2 Ų33.20%020%0.196CC..Hα-helixtrans-60.9-41.8176.300000112.1G770 Y837 Y843 V844 G845G770-G841 VanDerWaalsContact CA-O 3.28Å; G770-G841 WeakPolarHBondContact CA-O 3.4Å; Y837-G841 PolarHBondContact O-N 3.43Å; G841-Y843 VanDerWaalsContact C-N 3.29Å; G841-Y843 PolarHBondContact O-N 3.14Å; G841-V844 PolarHBondContact O-N 3.12Å; G841-G845 PolarHBondContact O-N 2.9Å
842G95.4Very high94Very high28 Ų2830.6 Ų30.629%0.28917%0.169SC..Hα-helixtrans-58.6-39.3172.400000113.1M838 I840 A846M838-G842 PolarHBondContact O-N 3.02Å; I840-G842 VanDerWaalsContact C-N 3.33Å; I840-G842 PolarHBondContact O-N 3.21Å; G842-A846 WeakPolarHBondContact O-CB 3.36Å; G842-A846 PolarHBondContact O-N 2.82Å; G842-A846 VanDerWaalsContact O-N 3.15Å
843Y97.3Very high94.2Very high64 Ų6428 Ų2825%0.25116%0.163SC..Hα-helixtrans-65.4-47.4173.8180-96.3000112A839 I840 G841 A846 A847 I907 I973 P976 V977 L980A839-Y843 WeakPolarHBondContact O-CB 3.28Å; A839-Y843 PolarHBondContact O-N 2.74Å; I840-Y843 WeakPolarHBondContact O-CA 3.4Å; I840-Y843 VanDerWaalsContact O-CB 3.32Å; I840-Y843 WeakPolarHBondContact O-CB 3.33Å; I840-Y843 PolarHBondContact O-N 2.94Å; I840-Y843 VanDerWaalsContact O-N 3.08Å; G841-Y843 VanDerWaalsContact C-N 3.29Å; G841-Y843 PolarHBondContact O-N 3.14Å; Y843-A846 PolarHBondContact O-N 3.43Å; Y843-A847 HydrophobicContact CE1-CB 4.4Å; Y843-A847 WeakPolarHBondContact O-CB 3.2Å; Y843-A847 PolarHBondContact O-N 2.98Å; Y843-I907 HydrophobicContact CD1-CD1 4.26Å; Y843-I907 HydrophobicContact CE1-CD1 3.98Å; Y843-I973 PolarHBondContact OH-O 3.22Å; Y843-P976 WeakPolarHBondContact OH-CB 3.3Å; Y843-V977 HydrophobicContact CD1-CB 4.16Å; Y843-V977 HydrophobicContact CD1-CG2 4.13Å; Y843-V977 HydrophobicContact CE1-CB 3.97Å; Y843-V977 HydrophobicContact CE1-CG2 4.45Å; Y843-L980 HydrophobicContact CD2-CD2 4.44Å; Y843-L980 HydrophobicContact CG-CD2 4.16Å
844V96.3Very high94.7Very high0 Ų030.2 Ų30.20%017%0.17CC..Hα-helixtrans-56.4-53.3178.2178.20000110.1I840 G841 A846 A847 T848 L904 I907I840-V844 HydrophobicContact CG2-CG2 4.31Å; I840-V844 WeakPolarHBondContact O-CG2 3.28Å; I840-V844 PolarHBondContact O-N 2.86Å; G841-V844 PolarHBondContact O-N 3.12Å; V844-A846 VanDerWaalsContact C-N 3.33Å; V844-A846 PolarHBondContact O-N 3.1Å; V844-A847 PolarHBondContact O-N 2.97Å; V844-A847 VanDerWaalsContact O-N 3.09Å; V844-T848 HydrophobicContact CG1-CG2 4.38Å; V844-T848 WeakPolarHBondContact O-CG2 3.45Å; V844-T848 PolarHBondContact O-N 3.4Å; V844-T848 PolarHBondContact O-OG1 3.24Å; V844-L904 HydrophobicContact CG1-CD1 3.57Å; V844-I907 HydrophobicContact CG2-CG2 3.52Å
845G95.4Very high95Very high0 Ų024.9 Ų24.90%015%0.147CC..Hα-helixtrans-64.6-34.1-177.300000113.7G770 G841 T848 V849G770-G845 WeakPolarHBondContact O-CA 3.26Å; G841-G845 PolarHBondContact O-N 2.9Å; G845-T848 PolarHBondContact O-OG1 3.41Å; G845-T848 VanDerWaalsContact O-OG1 3.1Å; G845-V849 VanDerWaalsContact O-CG2 3.28Å; G845-V849 WeakPolarHBondContact O-CG2 3.44Å; G845-V849 PolarHBondContact O-N 3.46Å
846A96.4Very high95Very high51 Ų5119.9 Ų19.942%0.42113%0.125SC..Hα-helixtrans-72.8-35.5172.700000112.4L777 G842 Y843 V844 G850L777-A846 HydrophobicContact CD1-CB 4.46Å; G842-A846 WeakPolarHBondContact O-CB 3.36Å; G842-A846 PolarHBondContact O-N 2.82Å; G842-A846 VanDerWaalsContact O-N 3.15Å; Y843-A846 PolarHBondContact O-N 3.43Å; V844-A846 VanDerWaalsContact C-N 3.33Å; V844-A846 PolarHBondContact O-N 3.1Å; A846-G850 WeakPolarHBondContact O-CA 3.31Å; A846-G850 PolarHBondContact O-N 2.93Å
847A97.4Very high95.1Very high5 Ų521.2 Ų21.24%0.04113%0.132CC..Hα-helixtrans-69.7-41.9-179.900000112.1Y843 V844 A851 V903 I907 I973Y843-A847 HydrophobicContact CE1-CB 4.4Å; Y843-A847 WeakPolarHBondContact O-CB 3.2Å; Y843-A847 PolarHBondContact O-N 2.98Å; V844-A847 PolarHBondContact O-N 2.97Å; V844-A847 VanDerWaalsContact O-N 3.09Å; A847-A851 VanDerWaalsContact O-CB 3.28Å; A847-A851 WeakPolarHBondContact O-CB 3.15Å; A847-A851 PolarHBondContact O-N 3.13Å; A847-V903 HydrophobicContact CB-CG1 3.88Å; A847-I907 HydrophobicContact CB-CD1 3.73Å; A847-I973 HydrophobicContact CB-CD1 4.07Å; A847-I973 HydrophobicContact CB-CG1 3.98Å; A847-I973 WeakPolarHBondContact O-CD1 3.21Å
848T96.8Very high95.3Very high0 Ų028.3 Ų28.30%016%0.16CC..Hα-helixtrans-64.8-50.7177.552.30000111.4C774 V844 G845 G850 A851 A852 V903 L904C774-T848 WeakPolarHBondContact CB-OG1 3.35Å; C774-T848 PolarHBondContact SG-OG1 3.32Å; V844-T848 HydrophobicContact CG1-CG2 4.38Å; V844-T848 WeakPolarHBondContact O-CG2 3.45Å; V844-T848 PolarHBondContact O-N 3.4Å; V844-T848 PolarHBondContact O-OG1 3.24Å; G845-T848 PolarHBondContact O-OG1 3.41Å; G845-T848 VanDerWaalsContact O-OG1 3.1Å; T848-G850 VanDerWaalsContact C-N 3.33Å; T848-G850 PolarHBondContact O-N 3.44Å; T848-A851 PolarHBondContact O-N 3.07Å; T848-A852 PolarHBondContact O-N 2.92Å; T848-A852 VanDerWaalsContact O-N 3.12Å; T848-V903 HydrophobicContact CG2-CG1 4.25Å; T848-L904 HydrophobicContact CG2-CB 3.85Å
849V96.4Very high95.4Very high13 Ų1324.5 Ų24.58%0.07914%0.141CC..Hα-helixtrans-62.8-42.2176.6177.40000110.9C774 L777 T778 L783 G845 A851 A852 A853C774-V849 HydrophobicContact CB-CG2 4.3Å; C774-V849 WeakPolarHBondContact O-CG2 3.28Å; L777-V849 HydrophobicContact CB-CG2 4.13Å; T778-V849 WeakPolarHBondContact OG1-CG2 3.33Å; L783-V849 HydrophobicContact CD1-CG1 3.68Å; G845-V849 VanDerWaalsContact O-CG2 3.28Å; G845-V849 WeakPolarHBondContact O-CG2 3.44Å; G845-V849 PolarHBondContact O-N 3.46Å; V849-A851 VanDerWaalsContact C-N 3.31Å; V849-A851 PolarHBondContact O-N 3.18Å; V849-A852 PolarHBondContact O-N 3.29Å; V849-A853 VanDerWaalsContact O-CB 3.31Å; V849-A853 WeakPolarHBondContact O-CB 3.28Å; V849-A853 PolarHBondContact O-N 3.08Å
850G96.3Very high95Very high33 Ų3332 Ų3234%0.3417%0.17SC..Hα-helixtrans-61.7-36.7176.900000113A846 T848 W854A846-G850 WeakPolarHBondContact O-CA 3.31Å; A846-G850 PolarHBondContact O-N 2.93Å; T848-G850 VanDerWaalsContact C-N 3.33Å; T848-G850 PolarHBondContact O-N 3.44Å; G850-W854 WeakPolarHBondContact O-CB 3.31Å; G850-W854 PolarHBondContact O-N 2.9Å
851A96.6Very high94.7Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-71.8-41177.900000112.8A847 T848 V849 W854 W855 M899 V903A847-A851 VanDerWaalsContact O-CB 3.28Å; A847-A851 WeakPolarHBondContact O-CB 3.15Å; A847-A851 PolarHBondContact O-N 3.13Å; T848-A851 PolarHBondContact O-N 3.07Å; V849-A851 VanDerWaalsContact C-N 3.31Å; V849-A851 PolarHBondContact O-N 3.18Å; A851-W854 PolarHBondContact O-N 3.35Å; A851-W855 PolarHBondContact O-N 2.88Å; A851-M899 HydrophobicContact CB-CB 4.42Å; A851-V903 HydrophobicContact CB-CB 4.37Å; A851-V903 HydrophobicContact CB-CG2 3.65Å
852A95.6Very high94.3Very high7 Ų736.5 Ų36.56%0.05820%0.197CC..Hα-helixtrans-63.4-49.2172.400000111.3A786 T848 V849 W854 W855 F856 P896 A900A786-A852 HydrophobicContact CB-CB 4.12Å; T848-A852 PolarHBondContact O-N 2.92Å; T848-A852 VanDerWaalsContact O-N 3.12Å; V849-A852 PolarHBondContact O-N 3.29Å; A852-W854 VanDerWaalsContact C-N 3.27Å; A852-W854 PolarHBondContact O-N 3.37Å; A852-W855 PolarHBondContact O-N 2.87Å; A852-W855 VanDerWaalsContact O-N 3.14Å; A852-F856 WeakPolarHBondContact O-CD2 3.42Å; A852-F856 PolarHBondContact O-N 2.91Å; A852-P896 HydrophobicContact CB-CB 4.18Å; A852-P896 WeakPolarHBondContact CB-O 3.3Å; A852-A900 HydrophobicContact CB-CB 4.23Å
853A95.1Very high94Very high20 Ų2037.2 Ų37.217%0.16520%0.196CC..Hα-helixtrans-63.2-33177.800000112.6V849 W855 F856 M857 L870V849-A853 VanDerWaalsContact O-CB 3.31Å; V849-A853 WeakPolarHBondContact O-CB 3.28Å; V849-A853 PolarHBondContact O-N 3.08Å; A853-W855 VanDerWaalsContact C-N 3.32Å; A853-W855 PolarHBondContact O-N 3.29Å; A853-F856 PolarHBondContact O-N 3.14Å; A853-M857 WeakPolarHBondContact O-CB 3.45Å; A853-M857 WeakPolarHBondContact O-CG 3.35Å; A853-M857 PolarHBondContact O-N 3.06Å; A853-L870 HydrophobicContact CB-CD2 4.15Å
854W96Very high93.6Very high59 Ų5939.4 Ų39.422%0.22321%0.209CC..Hα-helixtrans-60.9-40.7174.4172.283.4000111.8G850 A851 A852 F856 M857 Y858 A859 M899 H966 M969G850-W854 WeakPolarHBondContact O-CB 3.31Å; G850-W854 PolarHBondContact O-N 2.9Å; A851-W854 PolarHBondContact O-N 3.35Å; A852-W854 VanDerWaalsContact C-N 3.27Å; A852-W854 PolarHBondContact O-N 3.37Å; W854-F856 PolarHBondContact O-N 3.49Å; W854-M857 PolarHBondContact O-N 3.37Å; W854-Y858 PolarHBondContact O-N 3.44Å; W854-A859 HydrophobicContact CD2-CB 4.47Å; W854-A859 HydrophobicContact CE3-CB 4.11Å; W854-A859 HydrophobicContact CH2-CB 3.72Å; W854-A859 HydrophobicContact CZ2-CB 4.1Å; W854-A859 HydrophobicContact CZ3-CB 3.72Å; W854-A859 PolarHBondContact O-N 3.18Å; W854-A859 VanDerWaalsContact O-N 3.08Å; W854-M899 HydrophobicContact CE3-CE 3.74Å; W854-M899 HydrophobicContact CZ3-CE 3.66Å; W854-H966 AromaticContact CH2-CD2 3.97Å; W854-H966 AromaticContact CZ3-CD2 3.85Å; W854-M969 HydrophobicContact CD2-CE 4.14Å; W854-M969 HydrophobicContact CD2-CG 3.96Å; W854-M969 HydrophobicContact CE3-CG 4.01Å; W854-M969 HydrophobicContact CG-CE 3.91Å; W854-M969 HydrophobicContact CH2-CB 4.13Å; W854-M969 HydrophobicContact CH2-CG 4.11Å; W854-M969 HydrophobicContact CZ2-CB 4.37Å; W854-M969 HydrophobicContact CZ2-CG 4.06Å; W854-M969 HydrophobicContact CZ3-CB 4.3Å; W854-M969 HydrophobicContact CZ3-CG 4.08Å
855W95.8Very high93.3Very high10 Ų1039.5 Ų39.54%0.03821%0.209CC..Hα-helixtrans-61.5-44.1176.2-17584.6000111.7A851 A852 A853 M857 A859 D861 P863 V890 A893 E895 P896A851-W855 PolarHBondContact O-N 2.88Å; A852-W855 PolarHBondContact O-N 2.87Å; A852-W855 VanDerWaalsContact O-N 3.14Å; A853-W855 VanDerWaalsContact C-N 3.32Å; A853-W855 PolarHBondContact O-N 3.29Å; W855-M857 PolarHBondContact O-N 3.03Å; W855-A859 HydrophobicContact CB-CB 4.45Å; W855-A859 HydrophobicContact CG-CB 4.35Å; W855-D861 PolarHBondContact NE1-OD2 3.21Å; W855-P863 HydrophobicContact CZ3-CG 4.32Å; W855-V890 HydrophobicContact CH2-CG2 4.03Å; W855-V890 HydrophobicContact CZ3-CG2 4.25Å; W855-A893 HydrophobicContact CH2-CB 3.94Å; W855-A893 HydrophobicContact CZ3-CB 4.14Å; W855-E895 HydrophobicContact CD2-CB 4.18Å; W855-E895 HydrophobicContact CH2-CB 4.47Å; W855-E895 HydrophobicContact CZ2-CB 3.78Å; W855-E895 HydrophobicContact CZ2-CG 4.14Å; W855-P896 HydrophobicContact CB-CB 4.41Å; W855-P896 HydrophobicContact CD2-CB 4.41Å; W855-P896 HydrophobicContact CE3-CB 3.94Å; W855-P896 HydrophobicContact CE3-CG 3.85Å; W855-P896 HydrophobicContact CZ3-CG 4.08Å
856F93.8Very high93Very high6 Ų644.8 Ų44.83%0.02624%0.238CC..Hα-helixtrans-63.6-39.5178-76.9-67.6000114.1P784 A852 A853 W854 P863 H864 V865 L870 V890 F891 P896P784-F856 HydrophobicContact CB-CE2 4.4Å; P784-F856 HydrophobicContact CB-CZ 4.39Å; P784-F856 HydrophobicContact CG-CE2 4.25Å; P784-F856 HydrophobicContact CG-CZ 4.21Å; A852-F856 WeakPolarHBondContact O-CD2 3.42Å; A852-F856 PolarHBondContact O-N 2.91Å; A853-F856 PolarHBondContact O-N 3.14Å; W854-F856 PolarHBondContact O-N 3.49Å; F856-P863 HydrophobicContact CD1-CG 3.94Å; F856-H864 WeakPolarHBondContact O-CA 3.31Å; F856-H864 PolarHBondContact O-N 2.95Å; F856-V865 HydrophobicContact CB-CG2 3.86Å; F856-V865 HydrophobicContact CD1-CG2 4.44Å; F856-V865 WeakPolarHBondContact O-CG2 3.5Å; F856-V865 PolarHBondContact O-N 2.77Å; F856-L870 HydrophobicContact CB-CD1 3.89Å; F856-L870 HydrophobicContact CB-CD2 4.06Å; F856-L870 HydrophobicContact CD1-CD1 4.03Å; F856-L870 HydrophobicContact CD2-CD1 3.68Å; F856-L870 HydrophobicContact CD2-CD2 4.43Å; F856-L870 HydrophobicContact CE1-CD1 4.49Å; F856-L870 HydrophobicContact CE2-CD1 4.17Å; F856-L870 HydrophobicContact CG-CD1 3.6Å; F856-L870 HydrophobicContact CG-CD2 4.48Å; F856-V890 WeakPolarHBondContact CE1-O 3.26Å; F856-F891 HydrophobicContact CD1-CD1 4.41Å; F856-F891 AromaticContact CE1-CD1 3.94Å; F856-F891 HydrophobicContact CE1-CD1 3.94Å; F856-F891 HydrophobicContact CE1-CE1 4.49Å; F856-F891 HydrophobicContact CZ-CD1 4.42Å; F856-P896 HydrophobicContact CD2-CB 4.13Å; F856-P896 HydrophobicContact CE1-CG 4.44Å; F856-P896 HydrophobicContact CE2-CB 3.55Å; F856-P896 HydrophobicContact CE2-CG 3.7Å; F856-P896 HydrophobicContact CZ-CB 4.01Å; F856-P896 HydrophobicContact CZ-CG 3.61Å
857M93.4Very high92.7Very high29 Ų2948 Ų4814%0.14324%0.24CC..Hα-helixtrans-100.9-36.6-167.5-63-176.664.500114.5A853 W854 W855 V865 Y867 L870A853-M857 WeakPolarHBondContact O-CB 3.45Å; A853-M857 WeakPolarHBondContact O-CG 3.35Å; A853-M857 PolarHBondContact O-N 3.06Å; W854-M857 PolarHBondContact O-N 3.37Å; W855-M857 PolarHBondContact O-N 3.03Å; M857-V865 WeakPolarHBondContact CG-O 3.32Å; M857-Y867 HydrophobicContact SD-CD2 4.31Å; M857-L870 HydrophobicContact CG-CD2 4.25Å; M857-L870 HydrophobicContact SD-CD2 4.38Å
858Y93.6Very high92.2Very high158 Ų15851.2 Ų51.262%0.6226%0.262SS*.Hα-helixtrans-133.8-5.6-162.7-57-68.1000114.8W854W854-Y858 PolarHBondContact O-N 3.44Å
859A92.3Very high91.7Very high0 Ų053.2 Ų53.20%027%0.271CS..  trans-76.7143.3175.800000111.4W854 W855 D861 G862 H864W854-A859 HydrophobicContact CD2-CB 4.47Å; W854-A859 HydrophobicContact CE3-CB 4.11Å; W854-A859 HydrophobicContact CH2-CB 3.72Å; W854-A859 HydrophobicContact CZ2-CB 4.1Å; W854-A859 HydrophobicContact CZ3-CB 3.72Å; W854-A859 PolarHBondContact O-N 3.18Å; W854-A859 VanDerWaalsContact O-N 3.08Å; W855-A859 HydrophobicContact CB-CB 4.45Å; W855-A859 HydrophobicContact CG-CB 4.35Å; A859-D861 VanDerWaalsContact C-N 3.29Å; A859-D861 PolarHBondContact O-N 3.34Å; A859-G862 PolarHBondContact O-N 2.99Å; A859-G862 VanDerWaalsContact O-N 3.13Å; A859-H864 PolarHBondContact O-CE1 2.93Å; A859-H864 PolarHBondContact O-NE2 3.49Å
860E87Confident91.3Very high188 Ų18852.6 Ų52.688%0.87927%0.268SS*.THydrogen-bonded Turntrans-65.7-30.9-174.2-65-177174.500113.2
861D87.1Confident90.9Very high85 Ų8552.1 Ų52.146%0.45526%0.258SS..THydrogen-bonded Turntrans-93.8-5.717765.1-45.7000113.3W855 A859 H966W855-D861 PolarHBondContact NE1-OD2 3.21Å; A859-D861 VanDerWaalsContact C-N 3.29Å; A859-D861 PolarHBondContact O-N 3.34Å; D861-H966 IonicContact OD1-CE1 2.57Å; D861-H966 IonicContact OD1-NE2 2.75Å; D861-H966 PolarHBondContact OD1-NE2 3.23Å; D861-H966 IonicContact OD2-CE1 2.72Å; D861-H966 PolarHBondContact OD2-CE1 2.9Å; D861-H966 IonicContact OD2-NE2 3.81Å; D861-H966 PolarHBondContact OD2-NE2 3.36Å
862G86.8Confident90.4Very high10 Ų1055.5 Ų55.510%0.10327%0.274CS..SBendtrans-82.2172.4-179.400000114A859 H864A859-G862 PolarHBondContact O-N 2.99Å; A859-G862 VanDerWaalsContact O-N 3.13Å; G862-H864 VanDerWaalsContact C-N 3.27Å; G862-H864 PolarHBondContact O-CE1 3.41Å; G862-H864 PolarHBondContact O-N 3.46Å; G862-H864 PolarHBondContact O-ND1 3.12Å
863P87.9Confident89.8Confident43 Ų4356.9 Ų56.928%0.27928%0.278SS..  trans-76.1-6.2-176.630.5-36.1000114.8W855 F856 V865 V890W855-P863 HydrophobicContact CZ3-CG 4.32Å; F856-P863 HydrophobicContact CD1-CG 3.94Å; P863-V865 VanDerWaalsContact C-N 3.3Å; P863-V865 HydrophobicContact CB-CG1 4.12Å; P863-V865 HydrophobicContact CG-CG1 4.24Å; P863-V865 PolarHBondContact O-N 2.74Å; P863-V890 HydrophobicContact CB-CG1 4.32Å; P863-V890 HydrophobicContact CB-CG2 4.1Å; P863-V890 HydrophobicContact CG-CG1 4.26Å; P863-V890 HydrophobicContact CG-CG2 3.95Å
864H90Very high88.9Confident110 Ų11056.6 Ų56.651%0.50927%0.274SS..  trans53.841.5-180-62.374.1000113.9F856 A859 G862F856-H864 WeakPolarHBondContact O-CA 3.31Å; F856-H864 PolarHBondContact O-N 2.95Å; A859-H864 PolarHBondContact O-CE1 2.93Å; A859-H864 PolarHBondContact O-NE2 3.49Å; G862-H864 VanDerWaalsContact C-N 3.27Å; G862-H864 PolarHBondContact O-CE1 3.41Å; G862-H864 PolarHBondContact O-N 3.46Å; G862-H864 PolarHBondContact O-ND1 3.12Å
865V90.4Very high88Confident3 Ų357 Ų572%0.01828%0.278CS..  trans-74.9148.3178.6-65.20000111.5F856 M857 P863 Q869 L870 V886 F891F856-V865 HydrophobicContact CB-CG2 3.86Å; F856-V865 HydrophobicContact CD1-CG2 4.44Å; F856-V865 WeakPolarHBondContact O-CG2 3.5Å; F856-V865 PolarHBondContact O-N 2.77Å; M857-V865 WeakPolarHBondContact CG-O 3.32Å; P863-V865 VanDerWaalsContact C-N 3.3Å; P863-V865 HydrophobicContact CB-CG1 4.12Å; P863-V865 HydrophobicContact CG-CG1 4.24Å; P863-V865 PolarHBondContact O-N 2.74Å; V865-Q869 HydrophobicContact CB-CB 4.38Å; V865-L870 HydrophobicContact CG2-CB 4.26Å; V865-L870 HydrophobicContact CG2-CD1 4.37Å; V865-V886 HydrophobicContact CG1-CG1 4.05Å; V865-V886 HydrophobicContact CG1-CG2 4.02Å; V865-F891 HydrophobicContact CG1-CZ 4.35Å; V865-F891 HydrophobicContact CG2-CE1 4.47Å
866N89.6Confident87.1Confident111 Ų11157.2 Ų57.259%0.59428%0.281SS*.  trans-77.3154.1174.2-72.2-38.4000111S868 Q869 L870N866-S868 PolarHBondContact O-N 3.05Å; N866-S868 VanDerWaalsContact O-N 3.12Å; N866-Q869 WeakPolarHBondContact O-CB 3.38Å; N866-Q869 PolarHBondContact O-N 3.23Å; N866-L870 PolarHBondContact O-N 3.24Å
867Y90.1Very high86.1Confident118 Ų11859.9 Ų59.946%0.46330%0.298SS..Hα-helixtrans-52.1-41-178.9-177.9-102.7000113.3M857 Q869 L870 T871M857-Y867 HydrophobicContact SD-CD2 4.31Å; Y867-Q869 VanDerWaalsContact C-N 3.31Å; Y867-Q869 PolarHBondContact O-N 3.19Å; Y867-L870 PolarHBondContact O-N 3.04Å; Y867-T871 HydrophobicContact CD1-CG2 4.19Å; Y867-T871 HydrophobicContact CD2-CG2 4.34Å; Y867-T871 HydrophobicContact CE1-CG2 3.71Å; Y867-T871 HydrophobicContact CE2-CG2 3.88Å; Y867-T871 HydrophobicContact CG-CG2 4.48Å; Y867-T871 WeakPolarHBondContact O-CG2 3.5Å; Y867-T871 PolarHBondContact O-N 2.93Å; Y867-T871 PolarHBondContact O-OG1 3.34Å
868S86.2Confident84.7Confident73 Ų7368.1 Ų68.151%0.5134%0.336SS..Hα-helixtrans-65.1-32.3178.4-1730000113.5N866 T871 H872N866-S868 PolarHBondContact O-N 3.05Å; N866-S868 VanDerWaalsContact O-N 3.12Å; S868-T871 PolarHBondContact O-OG1 3.48Å; S868-H872 PolarHBondContact O-ND1 3.33Å
869Q86.4Confident83.3Confident41 Ų4168.1 Ų68.119%0.19235%0.347CS..Hα-helixtrans-72.9-41.3175.1-70.8167.8-42.500109.7V865 N866 Y867 T871 H872 F873 H882 F883V865-Q869 HydrophobicContact CB-CB 4.38Å; N866-Q869 WeakPolarHBondContact O-CB 3.38Å; N866-Q869 PolarHBondContact O-N 3.23Å; Y867-Q869 VanDerWaalsContact C-N 3.31Å; Y867-Q869 PolarHBondContact O-N 3.19Å; Q869-T871 PolarHBondContact O-N 3.26Å; Q869-H872 CarbonylContact O-C 3.47Å; Q869-H872 PolarHBondContact O-N 3.02Å; Q869-F873 PolarHBondContact O-N 2.95Å; Q869-H882 PolarHBondContact NE2-O 3.33Å; Q869-F883 HydrophobicContact CB-CD1 4.4Å; Q869-F883 HydrophobicContact CB-CE1 3.82Å; Q869-F883 HydrophobicContact CB-CZ 4.36Å; Q869-F883 HydrophobicContact CG-CE1 4.36Å; Q869-F883 WeakPolarHBondContact O-CE1 3.49Å; Q869-F883 WeakPolarHBondContact O-CZ 3.43Å
870L88.5Confident82.5Confident1 Ų170 Ų701%0.00536%0.357CS..Hα-helixtrans-63.3-42.3-179.8-173.962.4000113.1L783 P784 A853 F856 M857 V865 N866 Y867 H872 F873 F891L783-L870 HydrophobicContact CD2-CB 4.41Å; L783-L870 HydrophobicContact CD2-CD2 3.73Å; L783-L870 HydrophobicContact CD2-CG 3.62Å; P784-L870 HydrophobicContact CG-CD1 3.87Å; A853-L870 HydrophobicContact CB-CD2 4.15Å; F856-L870 HydrophobicContact CB-CD1 3.89Å; F856-L870 HydrophobicContact CB-CD2 4.06Å; F856-L870 HydrophobicContact CD1-CD1 4.03Å; F856-L870 HydrophobicContact CD2-CD1 3.68Å; F856-L870 HydrophobicContact CD2-CD2 4.43Å; F856-L870 HydrophobicContact CE1-CD1 4.49Å; F856-L870 HydrophobicContact CE2-CD1 4.17Å; F856-L870 HydrophobicContact CG-CD1 3.6Å; F856-L870 HydrophobicContact CG-CD2 4.48Å; M857-L870 HydrophobicContact CG-CD2 4.25Å; M857-L870 HydrophobicContact SD-CD2 4.38Å; V865-L870 HydrophobicContact CG2-CB 4.26Å; V865-L870 HydrophobicContact CG2-CD1 4.37Å; N866-L870 PolarHBondContact O-N 3.24Å; Y867-L870 PolarHBondContact O-N 3.04Å; L870-H872 PolarHBondContact O-N 3.09Å; L870-F873 WeakPolarHBondContact O-CD1 3.31Å; L870-F891 HydrophobicContact CD1-CD1 4.14Å; L870-F891 HydrophobicContact CD1-CE1 3.88Å
871T86.6Confident82Confident23 Ų2365 Ų6514%0.14135%0.347CS..THydrogen-bonded Turntrans-76.5-9.1178.664.90000114L781 G782 L783 Y867 S868 Q869L781-T871 WeakPolarHBondContact O-CB 3.46Å; L781-T871 WeakPolarHBondContact O-CG2 3.49Å; G782-T871 CarbonylContact O-C 3.46Å; G782-T871 VanDerWaalsContact O-C 3.32Å; G782-T871 WeakPolarHBondContact O-CA 3.39Å; G782-T871 VanDerWaalsContact O-O 3.06Å; L783-T871 HydrophobicContact CD2-CG2 3.77Å; Y867-T871 HydrophobicContact CD1-CG2 4.19Å; Y867-T871 HydrophobicContact CD2-CG2 4.34Å; Y867-T871 HydrophobicContact CE1-CG2 3.71Å; Y867-T871 HydrophobicContact CE2-CG2 3.88Å; Y867-T871 HydrophobicContact CG-CG2 4.48Å; Y867-T871 WeakPolarHBondContact O-CG2 3.5Å; Y867-T871 PolarHBondContact O-N 2.93Å; Y867-T871 PolarHBondContact O-OG1 3.34Å; S868-T871 PolarHBondContact O-OG1 3.48Å; Q869-T871 PolarHBondContact O-N 3.26Å
872H85.9Confident81.5Confident71 Ų7167.1 Ų67.133%0.32935%0.354SS..THydrogen-bonded Turntrans-118.224.6179.1-64.982.9000111.1S868 Q869 L870 M874 Q875 F883S868-H872 PolarHBondContact O-ND1 3.33Å; Q869-H872 CarbonylContact O-C 3.47Å; Q869-H872 PolarHBondContact O-N 3.02Å; L870-H872 PolarHBondContact O-N 3.09Å; H872-M874 PolarHBondContact O-N 3.08Å; H872-M874 VanDerWaalsContact O-N 3.11Å; H872-Q875 WeakPolarHBondContact O-CB 3.47Å; H872-Q875 PolarHBondContact O-N 2.91Å; H872-F883 HydrophobicContact CB-CZ 4.47Å; H872-F883 VanDerWaalsContact O-CZ 3.28Å; H872-F883 WeakPolarHBondContact O-CZ 3.32Å
873F83.9Confident81.3Confident35 Ų3567.1 Ų67.115%0.15435%0.351CS..G310 helixtrans-56.6-30.3-176.778-81.3000112.7G782 L783 P784 Q869 L870 Q875 C876 F891G782-F873 WeakPolarHBondContact O-CD1 3.44Å; G782-F873 VanDerWaalsContact O-CE1 3.31Å; G782-F873 WeakPolarHBondContact O-CE1 3.2Å; L783-F873 VanDerWaalsContact C-CE1 3.46Å; P784-F873 HydrophobicContact CG-CB 4.34Å; P784-F873 HydrophobicContact CG-CD1 3.89Å; P784-F873 HydrophobicContact CG-CD2 4.18Å; P784-F873 HydrophobicContact CG-CE1 4.23Å; P784-F873 HydrophobicContact CG-CE2 4.49Å; P784-F873 HydrophobicContact CG-CG 3.86Å; Q869-F873 PolarHBondContact O-N 2.95Å; L870-F873 WeakPolarHBondContact O-CD1 3.31Å; F873-Q875 PolarHBondContact O-N 3.03Å; F873-C876 WeakPolarHBondContact O-CB 3.44Å; F873-C876 PolarHBondContact O-N 2.83Å; F873-F891 HydrophobicContact CB-CB 4.35Å; F873-F891 HydrophobicContact CB-CD1 3.65Å; F873-F891 HydrophobicContact CB-CD2 4.09Å; F873-F891 HydrophobicContact CB-CE1 3.88Å; F873-F891 HydrophobicContact CB-CE2 4.3Å; F873-F891 HydrophobicContact CB-CG 3.76Å; F873-F891 HydrophobicContact CB-CZ 4.2Å; F873-F891 HydrophobicContact CD2-CB 4.11Å; F873-F891 HydrophobicContact CD2-CG 4.43Å; F873-F891 HydrophobicContact CG-CD1 4.45Å; F873-F891 HydrophobicContact CG-CG 4.48Å
874M75.3Confident80.8Confident15 Ų1573.3 Ų73.37%0.07438%0.377CS..G310 helixtrans-665.5171.8-62.5-175.3-70.200114.4V283 Y294 H872V283-M874 WeakPolarHBondContact CB-O 3.47Å; V283-M874 VanDerWaalsContact CG2-C 3.43Å; V283-M874 WeakPolarHBondContact CG2-O 3.47Å; Y294-M874 HydrophobicContact CE1-SD 4.23Å; H872-M874 PolarHBondContact O-N 3.08Å; H872-M874 VanDerWaalsContact O-N 3.11Å
875Q77.9Confident80.2Confident68 Ų6872.2 Ų72.232%0.31840%0.395SS..G310 helixtrans-114.14.5171.4-57.8178.6-1.400111.5H872 F873 T877 N880 F883H872-Q875 WeakPolarHBondContact O-CB 3.47Å; H872-Q875 PolarHBondContact O-N 2.91Å; F873-Q875 PolarHBondContact O-N 3.03Å; Q875-T877 PolarHBondContact O-N 2.86Å; Q875-T877 VanDerWaalsContact O-N 3.15Å; Q875-N880 PolarHBondContact O-ND2 3Å; Q875-F883 HydrophobicContact CB-CE2 4.3Å
876C76.4Confident79.7Confident13 Ų1373.6 Ų73.69%0.08840%0.403CS..  trans-69.2108.7177.5-1630000109.4F873 F883 C888 F891F873-C876 WeakPolarHBondContact O-CB 3.44Å; F873-C876 PolarHBondContact O-N 2.83Å; C876-F883 HydrophobicContact CB-CD1 4.15Å; C876-F883 HydrophobicContact CB-CD2 4.26Å; C876-F883 HydrophobicContact CB-CE1 4.32Å; C876-F883 HydrophobicContact CB-CE2 4.43Å; C876-F883 HydrophobicContact CB-CG 4.12Å; C876-F883 HydrophobicContact CB-CZ 4.47Å; C876-C888 HydrophobicContact CB-CB 3.88Å; C876-C888 WeakPolarHBondContact CB-SG 3.17Å; C876-C888 WeakPolarHBondContact SG-CA 3.34Å; C876-C888 WeakPolarHBondContact SG-CB 3.42Å; C876-C888 CovalentContact SG-SG 2.05Å; C876-C888 PolarHBondContact SG-SG 2.89Å; C876-F891 HydrophobicContact CB-CE2 4.33Å
877T73.1Confident79.4Confident63 Ų6373.5 Ų73.539%0.38740%0.403SS..  trans-138.5156.6170.859.10000108Q875 D879 N880Q875-T877 PolarHBondContact O-N 2.86Å; Q875-T877 VanDerWaalsContact O-N 3.15Å; T877-D879 PolarHBondContact O-N 2.88Å; T877-N880 PolarHBondContact O-N 3.47Å
878E63.2Low79Confident201 Ų20169.9 Ų69.994%0.93940%0.395SS*.THydrogen-bonded Turntrans-54.7-25.7179.3-64.8-172.1162.700113.1
879D65.3Low78.8Confident159 Ų15973.6 Ų73.685%0.8540%0.404SS*.THydrogen-bonded Turntrans-90.4-3.2-178.4-65.8-42.5000114.5T877T877-D879 PolarHBondContact O-N 2.88Å
880N75.8Confident78.8Confident40 Ų4073.2 Ų73.221%0.21440%0.404CS..  trans-92.5109.3-175.9-166.7-13.6000112.4Q875 T877 H882 F883Q875-N880 PolarHBondContact O-ND2 3Å; T877-N880 PolarHBondContact O-N 3.47Å; N880-H882 PolarHBondContact O-N 3.31Å; N880-H882 WeakPolarHBondContact OD1-CB 3.27Å; N880-H882 PolarHBondContact OD1-N 2.9Å; N880-H882 VanDerWaalsContact OD1-N 3.1Å; N880-F883 HydrophobicContact CB-CD2 4.32Å; N880-F883 PolarHBondContact O-N 3.16Å
881A75.8Confident78.7Confident81 Ų8173.7 Ų73.767%0.66941%0.406SS*.G310 helixtrans-57.5-20.8178.800000114.4F883A881-F883 PolarHBondContact O-N 3.26Å
882H77.4Confident78.6Confident130 Ų13080 Ų8060%0.60243%0.434SS*.G310 helixtrans-70.2-17.1175.7-91.3-75.5000114.1Q869 N880Q869-H882 PolarHBondContact NE2-O 3.33Å; N880-H882 PolarHBondContact O-N 3.31Å; N880-H882 WeakPolarHBondContact OD1-CB 3.27Å; N880-H882 PolarHBondContact OD1-N 2.9Å; N880-H882 VanDerWaalsContact OD1-N 3.1Å
883F82.1Confident78.8Confident10 Ų1077.4 Ų77.44%0.04443%0.425CS..G310 helixtrans-11720.4-177.8-66.7-86.4000112.8Q869 H872 Q875 C876 N880 A881 G885 V886 F891Q869-F883 HydrophobicContact CB-CD1 4.4Å; Q869-F883 HydrophobicContact CB-CE1 3.82Å; Q869-F883 HydrophobicContact CB-CZ 4.36Å; Q869-F883 HydrophobicContact CG-CE1 4.36Å; Q869-F883 WeakPolarHBondContact O-CE1 3.49Å; Q869-F883 WeakPolarHBondContact O-CZ 3.43Å; H872-F883 HydrophobicContact CB-CZ 4.47Å; H872-F883 VanDerWaalsContact O-CZ 3.28Å; H872-F883 WeakPolarHBondContact O-CZ 3.32Å; Q875-F883 HydrophobicContact CB-CE2 4.3Å; C876-F883 HydrophobicContact CB-CD1 4.15Å; C876-F883 HydrophobicContact CB-CD2 4.26Å; C876-F883 HydrophobicContact CB-CE1 4.32Å; C876-F883 HydrophobicContact CB-CE2 4.43Å; C876-F883 HydrophobicContact CB-CG 4.12Å; C876-F883 HydrophobicContact CB-CZ 4.47Å; N880-F883 HydrophobicContact CB-CD2 4.32Å; N880-F883 PolarHBondContact O-N 3.16Å; A881-F883 PolarHBondContact O-N 3.26Å; F883-G885 PolarHBondContact O-N 3.46Å; F883-G885 VanDerWaalsContact O-N 3.14Å; F883-V886 PolarHBondContact O-N 3.32Å; F883-F891 HydrophobicContact CD1-CE2 4.09Å; F883-F891 HydrophobicContact CD1-CZ 4.21Å; F883-F891 AromaticContact CE1-CE2 4Å; F883-F891 HydrophobicContact CE1-CE2 4Å; F883-F891 AromaticContact CE1-CZ 3.85Å; F883-F891 HydrophobicContact CE1-CZ 3.85Å
884E76.6Confident79.2Confident173 Ų17377.2 Ų77.281%0.80843%0.428SS*.THydrogen-bonded Turntrans-58.4118.6179.4-167.5177.6-176.500111.2
885G77.3Confident80Confident87 Ų8778.5 Ų78.590%0.89743%0.434SS*.THydrogen-bonded Turntrans89.35.4-178.700000115.7F883F883-G885 PolarHBondContact O-N 3.46Å; F883-G885 VanDerWaalsContact O-N 3.14Å
886V80.4Confident80.8Confident32 Ų3275.5 Ų75.519%0.19442%0.42CS..  trans-110.9127.4174.1-177.40000109.1V865 F883 V890 F891V865-V886 HydrophobicContact CG1-CG1 4.05Å; V865-V886 HydrophobicContact CG1-CG2 4.02Å; F883-V886 PolarHBondContact O-N 3.32Å; V886-V890 HydrophobicContact CG1-CG1 3.95Å; V886-F891 HydrophobicContact CG1-CE2 4.03Å; V886-F891 HydrophobicContact CG1-CZ 4.27Å
887D82.8Confident81.7Confident109 Ų10975.8 Ų75.858%0.58342%0.42SS*.  trans-75126.6170.9-168.6-13.6000109.7E889 V890D887-E889 PolarHBondContact O-N 3.42Å; D887-E889 PolarHBondContact OD1-N 3.41Å; D887-V890 WeakPolarHBondContact O-CB 3.32Å; D887-V890 WeakPolarHBondContact O-CG1 3.29Å; D887-V890 PolarHBondContact O-N 2.95Å; D887-V890 VanDerWaalsContact O-N 3.15Å
888C81.6Confident82.9Confident43 Ų4372.8 Ų72.829%0.29140%0.402SS..G310 helixtrans-68.3-23.5-176.4-62.80000112.7C876 V890 F891C876-C888 HydrophobicContact CB-CB 3.88Å; C876-C888 WeakPolarHBondContact CB-SG 3.17Å; C876-C888 WeakPolarHBondContact SG-CA 3.34Å; C876-C888 WeakPolarHBondContact SG-CB 3.42Å; C876-C888 CovalentContact SG-SG 2.05Å; C876-C888 PolarHBondContact SG-SG 2.89Å; C888-V890 PolarHBondContact O-N 3.08Å; C888-F891 PolarHBondContact O-N 3.47Å
889E82.2Confident84.5Confident150 Ų15063.2 Ų63.270%0.70136%0.357SS*.G310 helixtrans-63.5-22.3174.4-68.6-173.7-179.500112.2D887 F891 E892D887-E889 PolarHBondContact O-N 3.42Å; D887-E889 PolarHBondContact OD1-N 3.41Å; E889-F891 PolarHBondContact O-N 3.03Å; E889-F891 VanDerWaalsContact O-N 3.15Å; E889-E892 PolarHBondContact O-N 3.44Å
890V86.9Confident86Confident33 Ų3355.7 Ų55.720%0.232%0.317CS..G310 helixtrans-62.9-24.5-179.285.50000113.1W855 F856 P863 V886 D887 C888 E892 A893W855-V890 HydrophobicContact CH2-CG2 4.03Å; W855-V890 HydrophobicContact CZ3-CG2 4.25Å; F856-V890 WeakPolarHBondContact CE1-O 3.26Å; P863-V890 HydrophobicContact CB-CG1 4.32Å; P863-V890 HydrophobicContact CB-CG2 4.1Å; P863-V890 HydrophobicContact CG-CG1 4.26Å; P863-V890 HydrophobicContact CG-CG2 3.95Å; V886-V890 HydrophobicContact CG1-CG1 3.95Å; D887-V890 WeakPolarHBondContact O-CB 3.32Å; D887-V890 WeakPolarHBondContact O-CG1 3.29Å; D887-V890 PolarHBondContact O-N 2.95Å; D887-V890 VanDerWaalsContact O-N 3.15Å; C888-V890 PolarHBondContact O-N 3.08Å; V890-E892 PolarHBondContact O-N 3.36Å; V890-A893 WeakPolarHBondContact O-CB 3.35Å; V890-A893 PolarHBondContact O-N 3.18Å
891F86.9Confident87Confident11 Ų1153.9 Ų53.95%0.04831%0.307CS..G310 helixtrans-75.5-11.7177.9-65.9-71.2000113.1P784 F856 V865 L870 F873 C876 F883 V886 C888 E889P784-F891 HydrophobicContact CG-CB 4.37Å; P784-F891 HydrophobicContact CG-CD1 3.9Å; F856-F891 HydrophobicContact CD1-CD1 4.41Å; F856-F891 AromaticContact CE1-CD1 3.94Å; F856-F891 HydrophobicContact CE1-CD1 3.94Å; F856-F891 HydrophobicContact CE1-CE1 4.49Å; F856-F891 HydrophobicContact CZ-CD1 4.42Å; V865-F891 HydrophobicContact CG1-CZ 4.35Å; V865-F891 HydrophobicContact CG2-CE1 4.47Å; L870-F891 HydrophobicContact CD1-CD1 4.14Å; L870-F891 HydrophobicContact CD1-CE1 3.88Å; F873-F891 HydrophobicContact CB-CB 4.35Å; F873-F891 HydrophobicContact CB-CD1 3.65Å; F873-F891 HydrophobicContact CB-CD2 4.09Å; F873-F891 HydrophobicContact CB-CE1 3.88Å; F873-F891 HydrophobicContact CB-CE2 4.3Å; F873-F891 HydrophobicContact CB-CG 3.76Å; F873-F891 HydrophobicContact CB-CZ 4.2Å; F873-F891 HydrophobicContact CD2-CB 4.11Å; F873-F891 HydrophobicContact CD2-CG 4.43Å; F873-F891 HydrophobicContact CG-CD1 4.45Å; F873-F891 HydrophobicContact CG-CG 4.48Å; C876-F891 HydrophobicContact CB-CE2 4.33Å; F883-F891 HydrophobicContact CD1-CE2 4.09Å; F883-F891 HydrophobicContact CD1-CZ 4.21Å; F883-F891 AromaticContact CE1-CE2 4Å; F883-F891 HydrophobicContact CE1-CE2 4Å; F883-F891 AromaticContact CE1-CZ 3.85Å; F883-F891 HydrophobicContact CE1-CZ 3.85Å; V886-F891 HydrophobicContact CG1-CE2 4.03Å; V886-F891 HydrophobicContact CG1-CZ 4.27Å; C888-F891 PolarHBondContact O-N 3.47Å; E889-F891 PolarHBondContact O-N 3.03Å; E889-F891 VanDerWaalsContact O-N 3.15Å
892E83.6Confident88.1Confident157 Ų15750 Ų5073%0.73428%0.275SS*.G310 helixtrans-104.810174.2-58.5-173.8170.200112.2E889 V890E889-E892 PolarHBondContact O-N 3.44Å; V890-E892 PolarHBondContact O-N 3.36Å
893A89.6Confident89.1Confident16 Ų1643.8 Ų43.813%0.13225%0.247CC..  trans-60.3148.5-179.200000113.1W855 V890 E895 P896W855-A893 HydrophobicContact CH2-CB 3.94Å; W855-A893 HydrophobicContact CZ3-CB 4.14Å; V890-A893 WeakPolarHBondContact O-CB 3.35Å; V890-A893 PolarHBondContact O-N 3.18Å; A893-E895 WeakPolarHBondContact CB-OE2 3.32Å; A893-P896 HydrophobicContact CB-CG 4.32Å; A893-P896 WeakPolarHBondContact O-CD 3.43Å; A893-P896 WeakPolarHBondContact O-CG 3.22Å
894S92.4Very high89.8Confident31 Ų3143.4 Ų43.422%0.21725%0.245CC..Hα-helixtrans-84-22.9-176.2-660000113.3M897 T898S894-M897 PolarHBondContact O-N 2.85Å; S894-T898 WeakPolarHBondContact O-CB 3.39Å; S894-T898 PolarHBondContact O-N 3.45Å; S894-T898 PolarHBondContact O-OG1 2.89Å
895E93.7Very high90.8Very high41 Ų4135.1 Ų35.119%0.19221%0.206CC..Hα-helixtrans-59.7-50.5178.7-63.589156.800114W855 A893 M897 T898 M899 Q960W855-E895 HydrophobicContact CD2-CB 4.18Å; W855-E895 HydrophobicContact CH2-CB 4.47Å; W855-E895 HydrophobicContact CZ2-CB 3.78Å; W855-E895 HydrophobicContact CZ2-CG 4.14Å; A893-E895 WeakPolarHBondContact CB-OE2 3.32Å; E895-M897 VanDerWaalsContact C-N 3.32Å; E895-M897 PolarHBondContact O-N 3.15Å; E895-T898 PolarHBondContact O-N 3.42Å; E895-T898 VanDerWaalsContact O-N 3.12Å; E895-M899 WeakPolarHBondContact O-CG 3.2Å; E895-M899 PolarHBondContact O-N 3.08Å; E895-Q960 HydrophobicContact CG-CB 4.34Å; E895-Q960 HydrophobicContact CG-CG 4.44Å; E895-Q960 PolarHBondContact OE1-NE2 2.99Å; E895-Q960 PolarHBondContact OE1-OE1 3.23Å
896P94.8Very high91.8Very high5 Ų531.5 Ų31.53%0.03217%0.167CC..Hα-helixtrans-64-36.717923.8-34000112.4A852 W855 F856 A893 T898 M899 A900A852-P896 HydrophobicContact CB-CB 4.18Å; A852-P896 WeakPolarHBondContact CB-O 3.3Å; W855-P896 HydrophobicContact CB-CB 4.41Å; W855-P896 HydrophobicContact CD2-CB 4.41Å; W855-P896 HydrophobicContact CE3-CB 3.94Å; W855-P896 HydrophobicContact CE3-CG 3.85Å; W855-P896 HydrophobicContact CZ3-CG 4.08Å; F856-P896 HydrophobicContact CD2-CB 4.13Å; F856-P896 HydrophobicContact CE1-CG 4.44Å; F856-P896 HydrophobicContact CE2-CB 3.55Å; F856-P896 HydrophobicContact CE2-CG 3.7Å; F856-P896 HydrophobicContact CZ-CB 4.01Å; F856-P896 HydrophobicContact CZ-CG 3.61Å; A893-P896 HydrophobicContact CB-CG 4.32Å; A893-P896 WeakPolarHBondContact O-CD 3.43Å; A893-P896 WeakPolarHBondContact O-CG 3.22Å; P896-T898 VanDerWaalsContact C-N 3.33Å; P896-M899 PolarHBondContact O-N 3.28Å; P896-A900 PolarHBondContact O-N 2.82Å
897M94.8Very high92.6Very high19 Ų1930 Ų309%0.09416%0.158CC..Hα-helixtrans-65.4-39.2173.5-59.7-175.2-158.600111.1A786 I788 S894 E895 M899 A900 L901 K958A786-M897 WeakPolarHBondContact O-CA 3.3Å; I788-M897 HydrophobicContact CG2-SD 4.22Å; S894-M897 PolarHBondContact O-N 2.85Å; E895-M897 VanDerWaalsContact C-N 3.32Å; E895-M897 PolarHBondContact O-N 3.15Å; M897-M899 PolarHBondContact O-N 3.21Å; M897-A900 PolarHBondContact O-N 3.06Å; M897-L901 WeakPolarHBondContact O-CB 3.32Å; M897-L901 PolarHBondContact O-N 2.86Å; M897-K958 HydrophobicContact SD-CB 4.28Å
898T96.9Very high93.3Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-67.2-36.6176.9-52.10000112.4S894 E895 P896 S902 L948 L959 Q960 L962S894-T898 WeakPolarHBondContact O-CB 3.39Å; S894-T898 PolarHBondContact O-N 3.45Å; S894-T898 PolarHBondContact O-OG1 2.89Å; E895-T898 PolarHBondContact O-N 3.42Å; E895-T898 VanDerWaalsContact O-N 3.12Å; P896-T898 VanDerWaalsContact C-N 3.33Å; T898-S902 WeakPolarHBondContact O-CB 3.29Å; T898-S902 PolarHBondContact O-N 3.33Å; T898-S902 PolarHBondContact O-OG 3.06Å; T898-L948 HydrophobicContact CG2-CD2 3.48Å; T898-L948 VanDerWaalsContact CG2-CD2 3.48Å; T898-L959 HydrophobicContact CG2-CD2 4.35Å; T898-L959 VanDerWaalsContact OG1-CA 3.31Å; T898-L959 WeakPolarHBondContact OG1-CA 3.24Å; T898-L959 WeakPolarHBondContact OG1-CD2 3.31Å; T898-Q960 VanDerWaalsContact CG2-O 3.3Å; T898-Q960 WeakPolarHBondContact CG2-O 3.45Å; T898-Q960 PolarHBondContact OG1-N 3.49Å; T898-Q960 PolarHBondContact OG1-O 2.85Å; T898-L962 HydrophobicContact CG2-CD1 4.04Å; T898-L962 HydrophobicContact CG2-CD2 3.92Å; T898-L962 HydrophobicContact CG2-CG 3.71Å
899M97.4Very high94Very high1 Ų123.2 Ų23.21%0.00512%0.118CC..Hα-helixtrans-61.2-49.5172.8-76.8-64.8-6500111.1A851 W854 E895 P896 M897 S902 V903 L962 H966 M969 V970A851-M899 HydrophobicContact CB-CB 4.42Å; W854-M899 HydrophobicContact CE3-CE 3.74Å; W854-M899 HydrophobicContact CZ3-CE 3.66Å; E895-M899 WeakPolarHBondContact O-CG 3.2Å; E895-M899 PolarHBondContact O-N 3.08Å; P896-M899 PolarHBondContact O-N 3.28Å; M897-M899 PolarHBondContact O-N 3.21Å; M899-S902 PolarHBondContact O-N 3.45Å; M899-V903 VanDerWaalsContact O-CG2 3.32Å; M899-V903 WeakPolarHBondContact O-CG2 3.5Å; M899-V903 PolarHBondContact O-N 2.91Å; M899-L962 HydrophobicContact CG-CD2 4.16Å; M899-L962 HydrophobicContact SD-CD1 3.95Å; M899-L962 HydrophobicContact SD-CD2 3.91Å; M899-H966 HydrophobicContact SD-CB 3.7Å; M899-M969 HydrophobicContact CE-CB 4.23Å; M899-M969 HydrophobicContact CE-CG 4.17Å; M899-V970 HydrophobicContact CE-CG2 3.98Å; M899-V970 HydrophobicContact SD-CG2 4.03Å
900A97Very high94.7Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-60.3-48.1176.500000112.1A786 L787 A852 P896 M897 S902 V903 L904A786-A900 HydrophobicContact CB-CB 4.11Å; A786-A900 WeakPolarHBondContact O-CB 3.47Å; L787-A900 HydrophobicContact CD2-CB 4.04Å; L787-A900 HydrophobicContact CG-CB 4.25Å; A852-A900 HydrophobicContact CB-CB 4.23Å; P896-A900 PolarHBondContact O-N 2.82Å; M897-A900 PolarHBondContact O-N 3.06Å; A900-S902 PolarHBondContact O-N 3.3Å; A900-V903 PolarHBondContact O-N 2.77Å; A900-L904 PolarHBondContact O-N 3.14Å
901L97.4Very high95.2Very high2 Ų215.1 Ų15.11%0.018%0.079CC..Hα-helixtrans-62.8-43.5-179.9-178.263.7000111.7L787 Q791 V795 M897 V903 L904 V905 I947 L959L787-L901 HydrophobicContact CD2-CB 3.86Å; L787-L901 HydrophobicContact CD2-CD1 4.19Å; Q791-L901 HydrophobicContact CB-CD1 4.21Å; Q791-L901 HydrophobicContact CB-CD2 4.44Å; Q791-L901 HydrophobicContact CG-CD2 4.26Å; V795-L901 HydrophobicContact CG2-CD1 3.51Å; M897-L901 WeakPolarHBondContact O-CB 3.32Å; M897-L901 PolarHBondContact O-N 2.86Å; L901-V903 VanDerWaalsContact C-N 3.29Å; L901-V903 PolarHBondContact O-N 3Å; L901-L904 WeakPolarHBondContact O-CB 3.41Å; L901-L904 PolarHBondContact O-N 3.46Å; L901-V905 HydrophobicContact CD1-CG2 4.33Å; L901-V905 HydrophobicContact CG-CG2 4.46Å; L901-V905 WeakPolarHBondContact O-CG2 3.38Å; L901-V905 PolarHBondContact O-N 3.36Å; L901-I947 HydrophobicContact CD2-CD1 4.28Å; L901-L959 HydrophobicContact CB-CD2 4.49Å; L901-L959 HydrophobicContact CD2-CD1 3.62Å; L901-L959 HydrophobicContact CD2-CD2 3.61Å; L901-L959 HydrophobicContact CD2-CG 4.25Å
902S97.9Very high95.6Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-66.6-32.8179.2-600000112T898 M899 A900 T906 H944 L962T898-S902 WeakPolarHBondContact O-CB 3.29Å; T898-S902 PolarHBondContact O-N 3.33Å; T898-S902 PolarHBondContact O-OG 3.06Å; M899-S902 PolarHBondContact O-N 3.45Å; A900-S902 PolarHBondContact O-N 3.3Å; S902-T906 VanDerWaalsContact O-CB 3.27Å; S902-T906 WeakPolarHBondContact O-CB 3.31Å; S902-T906 PolarHBondContact O-N 3.47Å; S902-T906 PolarHBondContact O-OG1 3.03Å; S902-H944 PolarHBondContact OG-NE2 3.28Å; S902-L962 WeakPolarHBondContact OG-CD1 3.33Å
903V98.1Very high96.2Very high0 Ų08.5 Ų8.50%05%0.05CC..Hα-helixtrans-66.9-45.9172167.30000111.5A847 T848 A851 M899 A900 L901 T906 I907 V970 I973 S974A847-V903 HydrophobicContact CB-CG1 3.88Å; T848-V903 HydrophobicContact CG2-CG1 4.25Å; A851-V903 HydrophobicContact CB-CB 4.37Å; A851-V903 HydrophobicContact CB-CG2 3.65Å; M899-V903 VanDerWaalsContact O-CG2 3.32Å; M899-V903 WeakPolarHBondContact O-CG2 3.5Å; M899-V903 PolarHBondContact O-N 2.91Å; A900-V903 PolarHBondContact O-N 2.77Å; L901-V903 VanDerWaalsContact C-N 3.29Å; L901-V903 PolarHBondContact O-N 3Å; V903-T906 PolarHBondContact O-N 3.03Å; V903-I907 HydrophobicContact CG1-CD1 3.67Å; V903-I907 HydrophobicContact CG1-CG1 4.33Å; V903-I907 WeakPolarHBondContact O-CB 3.34Å; V903-I907 VanDerWaalsContact O-CG1 3.3Å; V903-I907 WeakPolarHBondContact O-CG1 3.42Å; V903-I907 PolarHBondContact O-N 3.35Å; V903-V970 HydrophobicContact CG2-CB 4.3Å; V903-V970 HydrophobicContact CG2-CG1 4.07Å; V903-V970 HydrophobicContact CG2-CG2 4.11Å; V903-I973 HydrophobicContact CB-CG2 4.36Å; V903-I973 HydrophobicContact CG1-CG2 3.98Å; V903-I973 HydrophobicContact CG2-CG2 3.39Å; V903-S974 PolarHBondContact O-OG 3.32Å
904L97.3Very high96.4Very high1 Ų17.8 Ų7.81%0.0054%0.044CC..Hα-helixtrans-56.4-56.3176.2179.360.1000110.5E771 L787 L792 V795 V844 T848 A900 L901 T906 I907 E908E771-L904 HydrophobicContact CG-CD1 4.43Å; E771-L904 HydrophobicContact CG-CD2 4.21Å; L787-L904 HydrophobicContact CD1-CD2 3.85Å; L792-L904 HydrophobicContact CD2-CD2 4.41Å; V795-L904 HydrophobicContact CG1-CD2 4.09Å; V795-L904 HydrophobicContact CG1-CG 4.36Å; V795-L904 HydrophobicContact CG2-CD2 4.2Å; V844-L904 HydrophobicContact CG1-CD1 3.57Å; T848-L904 HydrophobicContact CG2-CB 3.85Å; A900-L904 PolarHBondContact O-N 3.14Å; L901-L904 WeakPolarHBondContact O-CB 3.41Å; L901-L904 PolarHBondContact O-N 3.46Å; L904-T906 VanDerWaalsContact C-N 3.32Å; L904-T906 PolarHBondContact O-N 3.47Å; L904-I907 PolarHBondContact O-N 2.96Å; L904-E908 HydrophobicContact CD1-CG 4.18Å; L904-E908 WeakPolarHBondContact O-CG 3.49Å; L904-E908 PolarHBondContact O-N 3.44Å
905V97.8Very high96.4Very high0 Ų06.4 Ų6.40%03%0.034CC..Hα-helixtrans-56.2-45.4179.4172.30000111.4V795 T799 L901 E908 M909 M941 H944V795-V905 HydrophobicContact CG2-CG2 4.33Å; T799-V905 HydrophobicContact CG2-CB 4.29Å; T799-V905 HydrophobicContact CG2-CG1 3.76Å; T799-V905 HydrophobicContact CG2-CG2 3.85Å; L901-V905 HydrophobicContact CD1-CG2 4.33Å; L901-V905 HydrophobicContact CG-CG2 4.46Å; L901-V905 WeakPolarHBondContact O-CG2 3.38Å; L901-V905 PolarHBondContact O-N 3.36Å; V905-E908 PolarHBondContact O-N 2.79Å; V905-M909 WeakPolarHBondContact O-CG 3.32Å; V905-M909 PolarHBondContact O-N 3.35Å; V905-M941 HydrophobicContact CG1-SD 3.82Å; V905-H944 HydrophobicContact CG1-CB 4.21Å
906T97.9Very high96.3Very high11 Ų114.8 Ų4.87%0.0673%0.026CC..Hα-helixtrans-67.7-39.7-178.7-55.90000112.1S902 V903 L904 C910 V970 L971 S974S902-T906 VanDerWaalsContact O-CB 3.27Å; S902-T906 WeakPolarHBondContact O-CB 3.31Å; S902-T906 PolarHBondContact O-N 3.47Å; S902-T906 PolarHBondContact O-OG1 3.03Å; V903-T906 PolarHBondContact O-N 3.03Å; L904-T906 VanDerWaalsContact C-N 3.32Å; L904-T906 PolarHBondContact O-N 3.47Å; T906-C910 PolarHBondContact O-N 3.44Å; T906-C910 PolarHBondContact O-SG 2.86Å; T906-V970 WeakPolarHBondContact OG1-CG1 3.48Å; T906-L971 HydrophobicContact CG2-CD2 4.12Å; T906-S974 VanDerWaalsContact CG2-CB 3.42Å
907I97.9Very high95.9Very high0 Ų05.3 Ų5.30%03%0.03CC..Hα-helixtrans-63.4-45.6175.1-73.9173.8000109.8Y843 V844 A847 V903 L904 M909 C910 N911 V977Y843-I907 HydrophobicContact CD1-CD1 4.26Å; Y843-I907 HydrophobicContact CE1-CD1 3.98Å; V844-I907 HydrophobicContact CG2-CG2 3.52Å; A847-I907 HydrophobicContact CB-CD1 3.73Å; V903-I907 HydrophobicContact CG1-CD1 3.67Å; V903-I907 HydrophobicContact CG1-CG1 4.33Å; V903-I907 WeakPolarHBondContact O-CB 3.34Å; V903-I907 VanDerWaalsContact O-CG1 3.3Å; V903-I907 WeakPolarHBondContact O-CG1 3.42Å; V903-I907 PolarHBondContact O-N 3.35Å; L904-I907 PolarHBondContact O-N 2.96Å; I907-M909 PolarHBondContact O-N 3.13Å; I907-C910 CarbonylContact O-C 3.56Å; I907-C910 WeakPolarHBondContact O-CA 3.49Å; I907-C910 VanDerWaalsContact O-CB 3.31Å; I907-C910 WeakPolarHBondContact O-CB 3.48Å; I907-C910 PolarHBondContact O-N 3.39Å; I907-N911 WeakPolarHBondContact O-CB 3.47Å; I907-N911 PolarHBondContact O-N 3.37Å; I907-V977 HydrophobicContact CG2-CB 4.27Å; I907-V977 HydrophobicContact CG2-CG1 4.15Å; I907-V977 HydrophobicContact CG2-CG2 4.03Å
908E97Very high95.4Very high0 Ų07.3 Ų7.30%04%0.039CC..Hα-helixtrans-67.3-35-177.9-68.5-48.713100112.8Y763 S767 D800 L904 V905 C910 N911 A912Y763-E908 HydrophobicContact CE2-CB 4.28Å; Y763-E908 WeakPolarHBondContact CE2-O 3.39Å; Y763-E908 VanDerWaalsContact CE2-OE2 3.26Å; Y763-E908 WeakPolarHBondContact CE2-OE2 3.37Å; S767-E908 VanDerWaalsContact CB-CD 3.49Å; S767-E908 WeakPolarHBondContact OG-CG 3.44Å; D800-E908 WeakPolarHBondContact OD1-CB 3.37Å; L904-E908 HydrophobicContact CD1-CG 4.18Å; L904-E908 WeakPolarHBondContact O-CG 3.49Å; L904-E908 PolarHBondContact O-N 3.44Å; V905-E908 PolarHBondContact O-N 2.79Å; E908-C910 VanDerWaalsContact C-N 3.27Å; E908-C910 PolarHBondContact O-N 3.49Å; E908-N911 PolarHBondContact O-N 3.05Å; E908-N911 PolarHBondContact OE2-ND2 2.88Å; E908-N911 VanDerWaalsContact OE2-ND2 3.09Å; E908-A912 WeakPolarHBondContact O-CB 3.47Å; E908-A912 PolarHBondContact O-N 3.3Å
909M97.5Very high94.7Very high10 Ų109.8 Ų9.85%0.0495%0.053CC..Hα-helixtrans-62.2-36.5170.7-65.6-49.194.800112T799 P803 V905 I907 L913 I937 M941T799-M909 HydrophobicContact CG2-CE 3.99Å; P803-M909 HydrophobicContact CG-CE 3.69Å; P803-M909 HydrophobicContact CG-SD 3.92Å; V905-M909 WeakPolarHBondContact O-CG 3.32Å; V905-M909 PolarHBondContact O-N 3.35Å; I907-M909 PolarHBondContact O-N 3.13Å; M909-L913 PolarHBondContact O-N 3.4Å; M909-I937 HydrophobicContact CB-CG2 3.94Å; M909-I937 HydrophobicContact CG-CG2 3.97Å; M909-I937 HydrophobicContact SD-CB 4.09Å; M909-I937 HydrophobicContact SD-CG1 3.89Å; M909-I937 HydrophobicContact SD-CG2 3.94Å; M909-M941 HydrophobicContact CG-CG 4.1Å; M909-M941 HydrophobicContact CG-SD 3.85Å
910C96.9Very high94.2Very high11 Ų1113.6 Ų13.67%0.0747%0.07CC..Hα-helixtrans-71.3-39.4174-65.30000112T906 I907 E908 A912 L913 N914 V977 I978T906-C910 PolarHBondContact O-N 3.44Å; T906-C910 PolarHBondContact O-SG 2.86Å; I907-C910 CarbonylContact O-C 3.56Å; I907-C910 WeakPolarHBondContact O-CA 3.49Å; I907-C910 VanDerWaalsContact O-CB 3.31Å; I907-C910 WeakPolarHBondContact O-CB 3.48Å; I907-C910 PolarHBondContact O-N 3.39Å; E908-C910 VanDerWaalsContact C-N 3.27Å; E908-C910 PolarHBondContact O-N 3.49Å; C910-A912 VanDerWaalsContact C-N 3.31Å; C910-A912 PolarHBondContact O-N 3.38Å; C910-L913 WeakPolarHBondContact O-CB 3.33Å; C910-L913 PolarHBondContact O-N 3.13Å; C910-N914 PolarHBondContact O-N 3.37Å; C910-V977 HydrophobicContact CB-CG1 3.51Å; C910-I978 HydrophobicContact CB-CD1 3.95Å; C910-I978 HydrophobicContact CB-CG1 3.71Å
911N95.8Very high93.8Very high1 Ų113.9 Ų13.91%0.0057%0.073CC..Hα-helixtrans-67.7-32.2178.6-16428.4000111.8Y763 S766 I907 E908 L913 N914 S915Y763-N911 HydrophobicContact CD2-CB 4.47Å; Y763-N911 HydrophobicContact CE2-CB 4.39Å; S766-N911 PolarHBondContact OG-ND2 3.35Å; I907-N911 WeakPolarHBondContact O-CB 3.47Å; I907-N911 PolarHBondContact O-N 3.37Å; E908-N911 PolarHBondContact O-N 3.05Å; E908-N911 PolarHBondContact OE2-ND2 2.88Å; E908-N911 VanDerWaalsContact OE2-ND2 3.09Å; N911-L913 VanDerWaalsContact C-N 3.33Å; N911-L913 PolarHBondContact O-N 2.88Å; N911-N914 WeakPolarHBondContact O-CB 3.33Å; N911-N914 PolarHBondContact O-N 2.96Å; N911-S915 WeakPolarHBondContact O-CB 3.46Å; N911-S915 PolarHBondContact O-N 3.47Å; N911-S915 PolarHBondContact O-OG 2.96Å
912A95.9Very high93.5Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-63.1-39171.400000111.5Y763 P803 E908 C910 S915 L916 L933 I937Y763-A912 HydrophobicContact CD2-CB 4.43Å; Y763-A912 HydrophobicContact CE2-CB 3.92Å; P803-A912 HydrophobicContact CB-CB 3.83Å; E908-A912 WeakPolarHBondContact O-CB 3.47Å; E908-A912 PolarHBondContact O-N 3.3Å; C910-A912 VanDerWaalsContact C-N 3.31Å; C910-A912 PolarHBondContact O-N 3.38Å; A912-S915 CarbonylContact O-C 3.46Å; A912-S915 WeakPolarHBondContact O-CA 3.31Å; A912-S915 WeakPolarHBondContact O-CB 3.37Å; A912-S915 PolarHBondContact O-N 3.14Å; A912-S915 VanDerWaalsContact O-N 3.17Å; A912-L916 PolarHBondContact O-N 3.12Å; A912-L933 HydrophobicContact CB-CD1 4.18Å; A912-I937 HydrophobicContact CB-CD1 4.49Å
913L95.6Very high93.2Very high30 Ų3022.7 Ų22.716%0.15712%0.118CC..Hα-helixtrans-65.4-45.9172.6-62.6179.5000111.6M909 C910 N911 S915 L916 L922 P927 L933 L934 I937M909-L913 PolarHBondContact O-N 3.4Å; C910-L913 WeakPolarHBondContact O-CB 3.33Å; C910-L913 PolarHBondContact O-N 3.13Å; N911-L913 VanDerWaalsContact C-N 3.33Å; N911-L913 PolarHBondContact O-N 2.88Å; L913-S915 PolarHBondContact O-N 3.45Å; L913-S915 VanDerWaalsContact O-N 3.16Å; L913-L916 HydrophobicContact CD2-CD1 4.47Å; L913-L916 VanDerWaalsContact O-CB 3.3Å; L913-L916 WeakPolarHBondContact O-CB 3.49Å; L913-L916 WeakPolarHBondContact O-CG 3.38Å; L913-L916 PolarHBondContact O-N 3.31Å; L913-L922 HydrophobicContact CB-CD1 4.48Å; L913-L922 HydrophobicContact CB-CD2 4.49Å; L913-L922 WeakPolarHBondContact O-CD2 3.23Å; L913-P927 HydrophobicContact CD2-CB 4.05Å; L913-L933 HydrophobicContact CD2-CD2 4.05Å; L913-L934 HydrophobicContact CD2-CD2 4.27Å; L913-I937 HydrophobicContact CD2-CD1 3.55Å; L913-I937 HydrophobicContact CG-CD1 3.92Å
914N94.1Very high92.6Very high1 Ų131.9 Ų31.91%0.00515%0.153CC..Hα-helixtrans-55.9-31.9172.9-73.6-20000111.6C910 N911 L916 S917 D981 K985C910-N914 PolarHBondContact O-N 3.37Å; N911-N914 WeakPolarHBondContact O-CB 3.33Å; N911-N914 PolarHBondContact O-N 2.96Å; N914-L916 VanDerWaalsContact C-N 3.26Å; N914-L916 PolarHBondContact O-N 2.82Å; N914-S917 VanDerWaalsContact O-O 3.11Å; N914-D981 HydrophobicContact CB-CB 4.26Å; N914-D981 VanDerWaalsContact CB-OD2 3.28Å; N914-D981 WeakPolarHBondContact CB-OD2 3.4Å; N914-D981 VanDerWaalsContact ND2-CB 3.28Å; N914-D981 WeakPolarHBondContact ND2-CB 3.48Å; N914-K985 WeakPolarHBondContact O-CE 3.17Å; N914-K985 PolarHBondContact O-NZ 2.05Å
915S93.3Very high92Very high2 Ų233 Ų331%0.01416%0.159CC..THydrogen-bonded Turntrans-79.86.5177.2-630000114.6Q759 L807 N911 A912 L913 S917Q759-S915 WeakPolarHBondContact CG-O 3.37Å; Q759-S915 PolarHBondContact NE2-O 3.32Å; Q759-S915 VanDerWaalsContact NE2-O 3.16Å; L807-S915 WeakPolarHBondContact CD2-O 3.15Å; N911-S915 WeakPolarHBondContact O-CB 3.46Å; N911-S915 PolarHBondContact O-N 3.47Å; N911-S915 PolarHBondContact O-OG 2.96Å; A912-S915 CarbonylContact O-C 3.46Å; A912-S915 WeakPolarHBondContact O-CA 3.31Å; A912-S915 WeakPolarHBondContact O-CB 3.37Å; A912-S915 PolarHBondContact O-N 3.14Å; A912-S915 VanDerWaalsContact O-N 3.17Å; L913-S915 PolarHBondContact O-N 3.45Å; L913-S915 VanDerWaalsContact O-N 3.16Å; S915-S917 PolarHBondContact O-N 2.82Å
916L90.7Very high91.8Very high7 Ų734.4 Ų34.44%0.03717%0.168CC..THydrogen-bonded Turntrans-63-31.2169.8-82.1167.2000113N810 A912 L913 N914 L922 M925 N930 L933N810-L916 PolarHBondContact ND2-O 2.65Å; N810-L916 WeakPolarHBondContact OD1-CD2 3.36Å; A912-L916 PolarHBondContact O-N 3.12Å; L913-L916 HydrophobicContact CD2-CD1 4.47Å; L913-L916 VanDerWaalsContact O-CB 3.3Å; L913-L916 WeakPolarHBondContact O-CB 3.49Å; L913-L916 WeakPolarHBondContact O-CG 3.38Å; L913-L916 PolarHBondContact O-N 3.31Å; N914-L916 VanDerWaalsContact C-N 3.26Å; N914-L916 PolarHBondContact O-N 2.82Å; L916-L922 HydrophobicContact CD1-CD2 4.2Å; L916-M925 HydrophobicContact CB-SD 4.49Å; L916-N930 HydrophobicContact CD2-CB 3.68Å; L916-L933 HydrophobicContact CD1-CD2 4.02Å; L916-L933 HydrophobicContact CD2-CD2 3.44Å; L916-L933 VanDerWaalsContact CD2-CD2 3.44Å; L916-L933 HydrophobicContact CG-CD2 3.52Å
917S86.3Confident91.5Very high16 Ų1635.4 Ų35.411%0.11218%0.175CC..  trans-147.3141.3178.1-177.70000110N914 S915 Q920 K985N914-S917 VanDerWaalsContact O-O 3.11Å; S915-S917 PolarHBondContact O-N 2.82Å; S917-Q920 VanDerWaalsContact OG-CB 3.25Å; S917-Q920 WeakPolarHBondContact OG-CB 3.46Å; S917-Q920 WeakPolarHBondContact OG-CG 3.4Å; S917-Q920 PolarHBondContact OG-N 3.2Å; S917-K985 VanDerWaalsContact O-CE 3.22Å; S917-K985 WeakPolarHBondContact O-CE 3.39Å; S917-K985 PolarHBondContact O-NZ 3.15Å; S917-K985 VanDerWaalsContact O-NZ 3.08Å
918E84.7Confident91.3Very high61 Ų6143.8 Ų43.829%0.28521%0.206SC..SBendtrans-58.3-58.5175-179163-168.700110.6R762 R836 K985R762-E918 IonicContact CZ-OE1 2.66Å; R762-E918 IonicContact CZ-OE2 3.26Å; R762-E918 IonicContact NH1-OE1 3.98Å; R762-E918 PolarHBondContact NH1-OE1 3.36Å; R762-E918 IonicContact NH1-OE2 2.63Å; R762-E918 PolarHBondContact NH1-OE2 3.3Å; R762-E918 IonicContact NH2-OE1 3.97Å; R762-E918 PolarHBondContact NH2-OE1 3.28Å; R762-E918 IonicContact NH2-OE2 3.38Å; R762-E918 PolarHBondContact NH2-OE2 3.27Å; R836-E918 PolarHBondContact NH1-O 2.92Å; R836-E918 PolarHBondContact NH2-O 3.45Å; E918-K985 WeakPolarHBondContact O-CE 3.42Å
919N83Confident91Very high52 Ų5246.7 Ų46.728%0.27822%0.224SC..SBendtrans-114.4-16.1-173.6-70.6-28.8000114.2R989N919-R989 HydrophobicContact CB-CG 4.24Å; N919-R989 WeakPolarHBondContact O-CD 3.44Å; N919-R989 PolarHBondContact O-NH1 2.81Å
920Q85.4Confident90.9Very high80 Ų8046.4 Ų46.437%0.37422%0.223SC..  trans-75.8138.1179.2-57.5-167.96.200111.4S917 M925 K985S917-Q920 VanDerWaalsContact OG-CB 3.25Å; S917-Q920 WeakPolarHBondContact OG-CB 3.46Å; S917-Q920 WeakPolarHBondContact OG-CG 3.4Å; S917-Q920 PolarHBondContact OG-N 3.2Å; Q920-M925 HydrophobicContact CB-CB 4.31Å; Q920-M925 VanDerWaalsContact OE1-CE 3.31Å; Q920-K985 WeakPolarHBondContact O-CD 3.37Å; Q920-K985 PolarHBondContact O-NZ 3.34Å
921S89.6Confident90.8Very high7 Ų751.3 Ų51.35%0.04925%0.247CC..  trans-68.5148.5173.1177.20000110.3L923 R924 M925 E982 R989S921-L923 PolarHBondContact O-N 3.27Å; S921-L923 VanDerWaalsContact O-N 3.12Å; S921-L923 PolarHBondContact OG-N 3.49Å; S921-R924 WeakPolarHBondContact O-CA 3.25Å; S921-R924 PolarHBondContact O-N 3.08Å; S921-M925 PolarHBondContact O-N 3.02Å; S921-E982 VanDerWaalsContact CA-OE1 3.3Å; S921-E982 WeakPolarHBondContact CA-OE1 3.42Å; S921-E982 WeakPolarHBondContact CA-OE2 3.22Å; S921-E982 WeakPolarHBondContact CB-OE2 3.26Å; S921-E982 PolarHBondContact OG-OE1 3.2Å; S921-E982 PolarHBondContact OG-OE2 2.98Å; S921-R989 VanDerWaalsContact N-NH1 3.13Å
922L91.2Very high90.8Very high25 Ų2559.6 Ų59.613%0.13128%0.278CS..THydrogen-bonded Turntrans-57.7-20.4169.6-69.8177.3000112.9L913 L916 M925 P926 P927 I978 E982L913-L922 HydrophobicContact CB-CD1 4.48Å; L913-L922 HydrophobicContact CB-CD2 4.49Å; L913-L922 WeakPolarHBondContact O-CD2 3.23Å; L916-L922 HydrophobicContact CD1-CD2 4.2Å; L922-M925 WeakPolarHBondContact CA-O 3.47Å; L922-M925 CarbonylContact O-C 3.58Å; L922-P926 WeakPolarHBondContact O-CA 3.45Å; L922-P927 HydrophobicContact CD2-CG 4.23Å; L922-I978 HydrophobicContact CD1-CG2 3.81Å; L922-E982 PolarHBondContact N-OE1 3.11Å
923L91.1Very high90.8Very high161 Ų16159.6 Ų59.684%0.84328%0.278SS*.THydrogen-bonded Turntrans-73.3-28.3172-62.4176.9000112.9S921S921-L923 PolarHBondContact O-N 3.27Å; S921-L923 VanDerWaalsContact O-N 3.12Å; S921-L923 PolarHBondContact OG-N 3.49Å
924R85.7Confident90.8Very high193 Ų19361 Ų6173%0.72829%0.286SS*.THydrogen-bonded Turntrans-93.2-40.4177.6-71.8-166.7177.8-177.71112.2S921 P926S921-R924 WeakPolarHBondContact O-CA 3.25Å; S921-R924 PolarHBondContact O-N 3.08Å; R924-P926 WeakPolarHBondContact O-CD 3.09Å
925M85.3Confident91Very high26 Ų2663 Ų6313%0.12831%0.306CS..SBendtrans-115.691.4174.6-169.7179.5-65.800108.8L916 Q920 S921 L922 V929L916-M925 HydrophobicContact CB-SD 4.49Å; Q920-M925 HydrophobicContact CB-CB 4.31Å; Q920-M925 VanDerWaalsContact OE1-CE 3.31Å; S921-M925 PolarHBondContact O-N 3.02Å; L922-M925 WeakPolarHBondContact CA-O 3.47Å; L922-M925 CarbonylContact O-C 3.58Å; M925-V929 HydrophobicContact CG-CB 4.25Å; M925-V929 HydrophobicContact CG-CG1 4.21Å; M925-V929 HydrophobicContact CG-CG2 3.96Å
926P92.2Very high91.2Very high28 Ų2863.5 Ų63.518%0.18231%0.309CS..  trans-62.6154.3-175-25.134.6000113.9L922 R924 W928 V929L922-P926 WeakPolarHBondContact O-CA 3.45Å; R924-P926 WeakPolarHBondContact O-CD 3.09Å; P926-W928 HydrophobicContact CB-CD2 3.55Å; P926-W928 HydrophobicContact CB-CE3 4Å; P926-W928 HydrophobicContact CB-CG 4.12Å; P926-W928 HydrophobicContact CB-CH2 3.82Å; P926-W928 HydrophobicContact CB-CZ2 3.35Å; P926-W928 HydrophobicContact CB-CZ3 4.12Å; P926-W928 HydrophobicContact CG-CH2 4.32Å; P926-W928 HydrophobicContact CG-CZ2 3.6Å; P926-W928 PolarHBondContact O-N 3Å; P926-W928 VanDerWaalsContact O-N 3.08Å; P926-V929 HydrophobicContact CB-CG2 4.5Å; P926-V929 VanDerWaalsContact O-CB 3.26Å; P926-V929 WeakPolarHBondContact O-CB 3.36Å; P926-V929 WeakPolarHBondContact O-CG2 3.35Å; P926-V929 PolarHBondContact O-N 2.81Å
927P92.6Very high91.5Very high33 Ų3364.3 Ų64.321%0.21431%0.314CS..G310 helixtrans-52.1-32.9175.7-31.437.4000115.4L913 L922 V929 L934L913-P927 HydrophobicContact CD2-CB 4.05Å; L922-P927 HydrophobicContact CD2-CG 4.23Å; P927-V929 PolarHBondContact O-N 3.47Å; P927-L934 HydrophobicContact CB-CD2 4.23Å
928W93.7Very high92Very high176 Ų17667.5 Ų67.567%0.66734%0.335SS*.G310 helixtrans-77.41-17957.274.6000114.6P926 N930 I931 L934P926-W928 HydrophobicContact CB-CD2 3.55Å; P926-W928 HydrophobicContact CB-CE3 4Å; P926-W928 HydrophobicContact CB-CG 4.12Å; P926-W928 HydrophobicContact CB-CH2 3.82Å; P926-W928 HydrophobicContact CB-CZ2 3.35Å; P926-W928 HydrophobicContact CB-CZ3 4.12Å; P926-W928 HydrophobicContact CG-CH2 4.32Å; P926-W928 HydrophobicContact CG-CZ2 3.6Å; P926-W928 PolarHBondContact O-N 3Å; P926-W928 VanDerWaalsContact O-N 3.08Å; W928-N930 VanDerWaalsContact C-N 3.27Å; W928-N930 PolarHBondContact O-N 3.49Å; W928-I931 HydrophobicContact CB-CD1 4.49Å; W928-I931 WeakPolarHBondContact O-CD1 3.34Å; W928-L934 HydrophobicContact CB-CD1 4.12Å
929V91.3Very high92.6Very high61 Ų6168.7 Ų68.737%0.3734%0.343SS..G310 helixtrans-61.6-38.5172.8168.80000110.9P811 M925 P926 P927P811-V929 HydrophobicContact CG-CG1 3.48Å; P811-V929 VanDerWaalsContact CG-CG1 3.48Å; M925-V929 HydrophobicContact CG-CB 4.25Å; M925-V929 HydrophobicContact CG-CG1 4.21Å; M925-V929 HydrophobicContact CG-CG2 3.96Å; P926-V929 HydrophobicContact CB-CG2 4.5Å; P926-V929 VanDerWaalsContact O-CB 3.26Å; P926-V929 WeakPolarHBondContact O-CB 3.36Å; P926-V929 WeakPolarHBondContact O-CG2 3.35Å; P926-V929 PolarHBondContact O-N 2.81Å; P927-V929 PolarHBondContact O-N 3.47Å
930N94.1Very high93.2Very high4 Ų466.2 Ų66.22%0.02133%0.329CS..  trans-111.396.4174-172.6-9.7000110.5A806 N810 L916 W928 W932 L933 L934A806-N930 PolarHBondContact O-ND2 2.82Å; N810-N930 PolarHBondContact OD1-ND2 3.46Å; L916-N930 HydrophobicContact CD2-CB 3.68Å; W928-N930 VanDerWaalsContact C-N 3.27Å; W928-N930 PolarHBondContact O-N 3.49Å; N930-W932 PolarHBondContact O-N 2.85Å; N930-W932 VanDerWaalsContact OD1-CB 3.31Å; N930-W932 WeakPolarHBondContact OD1-CB 3.44Å; N930-W932 PolarHBondContact OD1-N 3.08Å; N930-L933 HydrophobicContact CB-CB 3.97Å; N930-L933 WeakPolarHBondContact O-CB 3.49Å; N930-L933 PolarHBondContact O-N 2.93Å; N930-L933 VanDerWaalsContact O-N 3.16Å; N930-L933 PolarHBondContact OD1-N 3.35Å; N930-L934 PolarHBondContact O-N 3.33Å
931I95.2Very high93.8Very high114 Ų11464.2 Ų64.259%0.58532%0.321SS*.Hα-helixtrans-63.9-29.8177.9-61.6-62.2000112W928 L933 L934 G935W928-I931 HydrophobicContact CB-CD1 4.49Å; W928-I931 WeakPolarHBondContact O-CD1 3.34Å; I931-L933 VanDerWaalsContact C-N 3.3Å; I931-L933 PolarHBondContact O-N 2.89Å; I931-L934 HydrophobicContact CD1-CD1 4.44Å; I931-L934 PolarHBondContact O-N 3.17Å; I931-G935 PolarHBondContact O-N 3.01Å
932W95.2Very high94.2Very high175 Ų17567.3 Ų67.366%0.66334%0.342SS*.Hα-helixtrans-65.9-36.3176.2-60.8100.4000111.5A806 F809 N930 G935 S936A806-W932 HydrophobicContact CB-CB 4.37Å; F809-W932 HydrophobicContact CB-CG 4.47Å; F809-W932 HydrophobicContact CD2-CB 4.47Å; F809-W932 HydrophobicContact CG-CG 4.45Å; N930-W932 PolarHBondContact O-N 2.85Å; N930-W932 VanDerWaalsContact OD1-CB 3.31Å; N930-W932 WeakPolarHBondContact OD1-CB 3.44Å; N930-W932 PolarHBondContact OD1-N 3.08Å; W932-G935 PolarHBondContact O-N 3.1Å; W932-S936 WeakPolarHBondContact O-CB 3.45Å; W932-S936 PolarHBondContact O-N 3.35Å; W932-S936 PolarHBondContact O-OG 3.22Å
933L96.4Very high94.4Very high0 Ų068 Ų680%035%0.346CS..Hα-helixtrans-65.9-42.4176.2-176.264.7000111.9P803 A806 L807 A912 L913 L916 N930 I931 G935 S936 I937P803-L933 HydrophobicContact CB-CD1 4.02Å; A806-L933 HydrophobicContact CB-CB 4.26Å; A806-L933 HydrophobicContact CB-CD1 4.07Å; L807-L933 HydrophobicContact CD2-CD1 4.16Å; L807-L933 HydrophobicContact CD2-CD2 3.97Å; L807-L933 HydrophobicContact CG-CD1 4.17Å; A912-L933 HydrophobicContact CB-CD1 4.18Å; L913-L933 HydrophobicContact CD2-CD2 4.05Å; L916-L933 HydrophobicContact CD1-CD2 4.02Å; L916-L933 HydrophobicContact CD2-CD2 3.44Å; L916-L933 VanDerWaalsContact CD2-CD2 3.44Å; L916-L933 HydrophobicContact CG-CD2 3.52Å; N930-L933 HydrophobicContact CB-CB 3.97Å; N930-L933 WeakPolarHBondContact O-CB 3.49Å; N930-L933 PolarHBondContact O-N 2.93Å; N930-L933 VanDerWaalsContact O-N 3.16Å; N930-L933 PolarHBondContact OD1-N 3.35Å; I931-L933 VanDerWaalsContact C-N 3.3Å; I931-L933 PolarHBondContact O-N 2.89Å; L933-G935 VanDerWaalsContact C-N 3.33Å; L933-G935 PolarHBondContact O-N 3.39Å; L933-S936 WeakPolarHBondContact CA-OG 3.43Å; L933-S936 PolarHBondContact O-N 3.46Å; L933-S936 PolarHBondContact O-OG 3.17Å; L933-I937 HydrophobicContact CD1-CD1 4.25Å; L933-I937 HydrophobicContact CD1-CG1 4.44Å; L933-I937 HydrophobicContact CG-CD1 3.97Å; L933-I937 WeakPolarHBondContact O-CB 3.26Å; L933-I937 VanDerWaalsContact O-CG1 3.26Å; L933-I937 WeakPolarHBondContact O-CG1 3.38Å; L933-I937 PolarHBondContact O-N 3.45Å
934L96.4Very high94.7Very high60 Ų6060.4 Ų60.431%0.31431%0.306SS..Hα-helixtrans-63.3-42.7174.6-63.7-177.8000111.3L913 P927 W928 N930 I931 I937 C938L913-L934 HydrophobicContact CD2-CD2 4.27Å; P927-L934 HydrophobicContact CB-CD2 4.23Å; W928-L934 HydrophobicContact CB-CD1 4.12Å; N930-L934 PolarHBondContact O-N 3.33Å; I931-L934 HydrophobicContact CD1-CD1 4.44Å; I931-L934 PolarHBondContact O-N 3.17Å; L934-I937 PolarHBondContact O-N 3.33Å; L934-C938 WeakPolarHBondContact O-CB 3.32Å; L934-C938 PolarHBondContact O-N 3.31Å; L934-C938 PolarHBondContact O-SG 2.98Å
935G97.2Very high95.2Very high42 Ų4254.9 Ų54.943%0.43329%0.288SS..Hα-helixtrans-61.3-42.7175.600000112.9I931 W932 L933 C938 L939I931-G935 PolarHBondContact O-N 3.01Å; W932-G935 PolarHBondContact O-N 3.1Å; L933-G935 VanDerWaalsContact C-N 3.33Å; L933-G935 PolarHBondContact O-N 3.39Å; G935-C938 PolarHBondContact O-N 2.9Å; G935-L939 WeakPolarHBondContact O-CB 3.44Å; G935-L939 PolarHBondContact O-N 3.44Å
936S97.1Very high95.7Very high12 Ų1257.1 Ų57.18%0.08430%0.299CS..Hα-helixtrans-68.5-41178.364.20000112P803 A806 W932 L933 C938 L939 S940P803-S936 WeakPolarHBondContact CA-OG 3.05Å; A806-S936 WeakPolarHBondContact CB-OG 3.26Å; W932-S936 WeakPolarHBondContact O-CB 3.45Å; W932-S936 PolarHBondContact O-N 3.35Å; W932-S936 PolarHBondContact O-OG 3.22Å; L933-S936 WeakPolarHBondContact CA-OG 3.43Å; L933-S936 PolarHBondContact O-N 3.46Å; L933-S936 PolarHBondContact O-OG 3.17Å; S936-C938 PolarHBondContact O-N 3.44Å; S936-L939 PolarHBondContact O-N 3.3Å; S936-S940 PolarHBondContact O-N 2.94Å; S936-S940 PolarHBondContact O-OG 2.94Å
937I97.2Very high95.9Very high25 Ų2555.8 Ų55.813%0.12829%0.291CS..Hα-helixtrans-61-46175.6-71.7167.5000110.4M909 A912 L913 L933 L934 L939 S940 M941M909-I937 HydrophobicContact CB-CG2 3.94Å; M909-I937 HydrophobicContact CG-CG2 3.97Å; M909-I937 HydrophobicContact SD-CB 4.09Å; M909-I937 HydrophobicContact SD-CG1 3.89Å; M909-I937 HydrophobicContact SD-CG2 3.94Å; A912-I937 HydrophobicContact CB-CD1 4.49Å; L913-I937 HydrophobicContact CD2-CD1 3.55Å; L913-I937 HydrophobicContact CG-CD1 3.92Å; L933-I937 HydrophobicContact CD1-CD1 4.25Å; L933-I937 HydrophobicContact CD1-CG1 4.44Å; L933-I937 HydrophobicContact CG-CD1 3.97Å; L933-I937 WeakPolarHBondContact O-CB 3.26Å; L933-I937 VanDerWaalsContact O-CG1 3.26Å; L933-I937 WeakPolarHBondContact O-CG1 3.38Å; L933-I937 PolarHBondContact O-N 3.45Å; L934-I937 PolarHBondContact O-N 3.33Å; I937-L939 VanDerWaalsContact C-N 3.28Å; I937-L939 PolarHBondContact O-N 3Å; I937-S940 PolarHBondContact O-N 3.07Å; I937-M941 WeakPolarHBondContact O-CG 3.33Å; I937-M941 PolarHBondContact O-N 3.29Å
938C97.4Very high96Very high82 Ų8254.4 Ų54.455%0.55428%0.282SS*.Hα-helixtrans-59.7-40.1175.7-72.50000112L934 G935 S936 S942L934-C938 WeakPolarHBondContact O-CB 3.32Å; L934-C938 PolarHBondContact O-N 3.31Å; L934-C938 PolarHBondContact O-SG 2.98Å; G935-C938 PolarHBondContact O-N 2.9Å; S936-C938 PolarHBondContact O-N 3.44Å; C938-S942 WeakPolarHBondContact O-CB 3.46Å; C938-S942 PolarHBondContact O-N 3.17Å; C938-S942 PolarHBondContact O-OG 2.93Å
939L97.2Very high96Very high86 Ų8652.2 Ų52.245%0.4527%0.274SS..Hα-helixtrans-67.9-46177-178.259000111.6L802 G935 S936 I937 M941 S942 L943L802-L939 HydrophobicContact CD1-CB 4.4Å; L802-L939 HydrophobicContact CD1-CD2 3.75Å; L802-L939 HydrophobicContact CD1-CG 3.82Å; L802-L939 HydrophobicContact CD2-CD2 4.28Å; G935-L939 WeakPolarHBondContact O-CB 3.44Å; G935-L939 PolarHBondContact O-N 3.44Å; S936-L939 PolarHBondContact O-N 3.3Å; I937-L939 VanDerWaalsContact C-N 3.28Å; I937-L939 PolarHBondContact O-N 3Å; L939-M941 PolarHBondContact O-N 3.15Å; L939-S942 WeakPolarHBondContact O-CB 3.41Å; L939-S942 PolarHBondContact O-N 3.01Å; L939-S942 VanDerWaalsContact O-N 3.14Å; L939-L943 HydrophobicContact CD1-CD1 4.46Å; L939-L943 HydrophobicContact CD1-CG 4.36Å; L939-L943 HydrophobicContact CG-CD1 4.24Å; L939-L943 WeakPolarHBondContact O-CG 3.49Å; L939-L943 PolarHBondContact O-N 3.18Å
940S96.6Very high96.1Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-59.6-45.3176.4-67.70000111.8T799 P803 S936 I937 S942 L943 H944T799-S940 PolarHBondContact O-OG 3.37Å; P803-S940 WeakPolarHBondContact CD-OG 3.08Å; S936-S940 PolarHBondContact O-N 2.94Å; S936-S940 PolarHBondContact O-OG 2.94Å; I937-S940 PolarHBondContact O-N 3.07Å; S940-S942 VanDerWaalsContact C-N 3.32Å; S940-S942 PolarHBondContact O-N 2.83Å; S940-L943 PolarHBondContact O-N 3.08Å; S940-H944 PolarHBondContact O-N 3.06Å
941M97.1Very high95.9Very high39 Ų3959.4 Ų59.419%0.19231%0.31CS..Hα-helixtrans-63.4-38174.5-70.6-58.8-60.900112.2V905 M909 I937 L939 H944 F945V905-M941 HydrophobicContact CG1-SD 3.82Å; M909-M941 HydrophobicContact CG-CG 4.1Å; M909-M941 HydrophobicContact CG-SD 3.85Å; I937-M941 WeakPolarHBondContact O-CG 3.33Å; I937-M941 PolarHBondContact O-N 3.29Å; L939-M941 PolarHBondContact O-N 3.15Å; M941-H944 WeakPolarHBondContact O-CB 3.42Å; M941-H944 PolarHBondContact O-N 3.31Å; M941-F945 HydrophobicContact CE-CE2 4.32Å; M941-F945 HydrophobicContact CE-CZ 4.44Å; M941-F945 WeakPolarHBondContact O-CD2 3.23Å; M941-F945 PolarHBondContact O-N 3.4Å
942S97.4Very high95.6Very high72 Ų7258 Ų5850%0.50331%0.308SS..Hα-helixtrans-65.2-38.9175.7-58.80000112C938 L939 S940 F945 L946C938-S942 WeakPolarHBondContact O-CB 3.46Å; C938-S942 PolarHBondContact O-N 3.17Å; C938-S942 PolarHBondContact O-OG 2.93Å; L939-S942 WeakPolarHBondContact O-CB 3.41Å; L939-S942 PolarHBondContact O-N 3.01Å; L939-S942 VanDerWaalsContact O-N 3.14Å; S940-S942 VanDerWaalsContact C-N 3.32Å; S940-S942 PolarHBondContact O-N 2.83Å; S942-F945 PolarHBondContact O-N 3.47Å; S942-L946 PolarHBondContact O-N 3.33Å
943L96.3Very high95.4Very high39 Ų3951.8 Ų51.820%0.20429%0.288CS..Hα-helixtrans-69.2-33.6174.5-70.2173.1000112W794 V798 L802 L939 S940 L946 I947W794-L943 HydrophobicContact CZ2-CB 4.48Å; V798-L943 HydrophobicContact CG1-CD1 3.72Å; L802-L943 HydrophobicContact CD1-CD1 3.77Å; L939-L943 HydrophobicContact CD1-CD1 4.46Å; L939-L943 HydrophobicContact CD1-CG 4.36Å; L939-L943 HydrophobicContact CG-CD1 4.24Å; L939-L943 WeakPolarHBondContact O-CG 3.49Å; L939-L943 PolarHBondContact O-N 3.18Å; S940-L943 PolarHBondContact O-N 3.08Å; L943-L946 HydrophobicContact CD2-CD2 4.01Å; L943-L946 WeakPolarHBondContact O-CB 3.4Å; L943-L946 PolarHBondContact O-N 3.15Å; L943-I947 PolarHBondContact O-N 2.93Å; L943-I947 VanDerWaalsContact O-N 3.11Å
944H97.2Very high95.1Very high1 Ų152.7 Ų52.71%0.00529%0.293CS..Hα-helixtrans-62.8-45.2171.1-172.561.6000111.3S902 V905 S940 M941 L946 I947 L948 W967S902-H944 PolarHBondContact OG-NE2 3.28Å; V905-H944 HydrophobicContact CG1-CB 4.21Å; S940-H944 PolarHBondContact O-N 3.06Å; M941-H944 WeakPolarHBondContact O-CB 3.42Å; M941-H944 PolarHBondContact O-N 3.31Å; H944-L946 VanDerWaalsContact C-N 3.27Å; H944-L946 PolarHBondContact O-N 3.28Å; H944-I947 WeakPolarHBondContact O-CG1 3.38Å; H944-I947 PolarHBondContact O-N 2.91Å; H944-L948 WeakPolarHBondContact O-CG 3.39Å; H944-L948 PolarHBondContact O-N 3.3Å; H944-W967 AromaticContact CD2-CH2 3.76Å; H944-W967 AromaticContact NE2-CH2 3.87Å
945F96.6Very high94.7Very high78 Ų7856.5 Ų56.534%0.34231%0.311SS..Hα-helixtrans-63.9-33.1172-67.7-58.9000112.5M941 S942 I947 L948 Y949 W967M941-F945 HydrophobicContact CE-CE2 4.32Å; M941-F945 HydrophobicContact CE-CZ 4.44Å; M941-F945 WeakPolarHBondContact O-CD2 3.23Å; M941-F945 PolarHBondContact O-N 3.4Å; S942-F945 PolarHBondContact O-N 3.47Å; F945-I947 PolarHBondContact O-N 2.96Å; F945-L948 PolarHBondContact O-N 3.34Å; F945-Y949 HydrophobicContact CB-CD2 4.3Å; F945-Y949 HydrophobicContact CD1-CD2 4.35Å; F945-Y949 AromaticContact CD1-CE2 3.9Å; F945-Y949 HydrophobicContact CD1-CE2 3.9Å; F945-Y949 VanDerWaalsContact O-CD2 3.31Å; F945-Y949 WeakPolarHBondContact O-CD2 3.4Å; F945-Y949 PolarHBondContact O-N 3.23Å; F945-W967 HydrophobicContact CD1-CZ2 4.17Å; F945-W967 AromaticContact CE1-CE2 3.84Å; F945-W967 AromaticContact CE1-CH2 3.97Å; F945-W967 HydrophobicContact CE1-CH2 3.97Å; F945-W967 AromaticContact CE1-CZ2 3.4Å; F945-W967 HydrophobicContact CE1-CZ2 3.4Å; F945-W967 HydrophobicContact CZ-CH2 4.27Å; F945-W967 HydrophobicContact CZ-CZ2 4.1Å
946L95.9Very high94.3Very high72 Ų7257.4 Ų57.438%0.37731%0.306SS..Hα-helixtrans-58.2-48.6176.3-164.879.7000111.6S942 L943 H944 L948 Y949 I950 L953S942-L946 PolarHBondContact O-N 3.33Å; L943-L946 HydrophobicContact CD2-CD2 4.01Å; L943-L946 WeakPolarHBondContact O-CB 3.4Å; L943-L946 PolarHBondContact O-N 3.15Å; H944-L946 VanDerWaalsContact C-N 3.27Å; H944-L946 PolarHBondContact O-N 3.28Å; L946-L948 PolarHBondContact O-N 3.46Å; L946-Y949 PolarHBondContact O-N 3.34Å; L946-I950 HydrophobicContact CD1-CD1 3.21Å; L946-I950 HydrophobicContact CD1-CG1 4.06Å; L946-I950 HydrophobicContact CG-CD1 3.85Å; L946-I950 HydrophobicContact CG-CG1 4.42Å; L946-I950 WeakPolarHBondContact O-CB 3.41Å; L946-I950 PolarHBondContact O-N 3.06Å; L946-L953 HydrophobicContact CD2-CD1 4.3Å; L946-L953 HydrophobicContact CG-CD1 4.1Å
947I95.6Very high93.9Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-71.3-14.6-179.163.8170000113.3W794 L901 L943 H944 F945 L953 P954 F957 L959W794-I947 HydrophobicContact CZ2-CG2 3.9Å; L901-I947 HydrophobicContact CD2-CD1 4.28Å; L943-I947 PolarHBondContact O-N 2.93Å; L943-I947 VanDerWaalsContact O-N 3.11Å; H944-I947 WeakPolarHBondContact O-CG1 3.38Å; H944-I947 PolarHBondContact O-N 2.91Å; F945-I947 PolarHBondContact O-N 2.96Å; I947-L953 HydrophobicContact CB-CB 4.32Å; I947-L953 HydrophobicContact CG2-CB 4.48Å; I947-L953 HydrophobicContact CG2-CD1 4.17Å; I947-P954 VanDerWaalsContact O-CD 3.26Å; I947-P954 WeakPolarHBondContact O-CD 3.33Å; I947-P954 VanDerWaalsContact O-CG 3.26Å; I947-P954 WeakPolarHBondContact O-CG 3.18Å; I947-F957 HydrophobicContact CB-CD2 4.13Å; I947-F957 HydrophobicContact CB-CE2 4.36Å; I947-F957 HydrophobicContact CG2-CD2 4.16Å; I947-F957 HydrophobicContact CG2-CE2 3.87Å; I947-L959 HydrophobicContact CD1-CD1 3.77Å; I947-L959 HydrophobicContact CG1-CD1 4.08Å
948L94.3Very high93.6Very high5 Ų560.3 Ų60.33%0.02632%0.316CS..Hα-helixtrans-91.7-30.7176.6-68.6179.3000114.3T898 H944 F945 L946 P954 L959 W967T898-L948 HydrophobicContact CG2-CD2 3.48Å; T898-L948 VanDerWaalsContact CG2-CD2 3.48Å; H944-L948 WeakPolarHBondContact O-CG 3.39Å; H944-L948 PolarHBondContact O-N 3.3Å; F945-L948 PolarHBondContact O-N 3.34Å; L946-L948 PolarHBondContact O-N 3.46Å; L948-P954 WeakPolarHBondContact O-CG 3.33Å; L948-L959 HydrophobicContact CD2-CB 3.77Å; L948-L959 HydrophobicContact CD2-CD1 3.88Å; L948-L959 HydrophobicContact CD2-CG 4.33Å; L948-W967 HydrophobicContact CD1-CZ2 4.04Å
949Y93.8Very high93.5Very high129 Ų12956.8 Ų56.851%0.50629%0.292SS..Hα-helixtrans-113.9-9.8-168.5-74.8-81.9000114.9F945 L946 A961F945-Y949 HydrophobicContact CB-CD2 4.3Å; F945-Y949 HydrophobicContact CD1-CD2 4.35Å; F945-Y949 AromaticContact CD1-CE2 3.9Å; F945-Y949 HydrophobicContact CD1-CE2 3.9Å; F945-Y949 VanDerWaalsContact O-CD2 3.31Å; F945-Y949 WeakPolarHBondContact O-CD2 3.4Å; F945-Y949 PolarHBondContact O-N 3.23Å; L946-Y949 PolarHBondContact O-N 3.34Å; Y949-A961 HydrophobicContact CD1-CB 4.2Å; Y949-A961 HydrophobicContact CE1-CB 3.77Å
950I94.4Very high93.3Very high79 Ų7957 Ų5741%0.40529%0.291SS..SBendtrans-100.4103.5178.6-66.1-164.7000109.8L946 P952 L953 P954L946-I950 HydrophobicContact CD1-CD1 3.21Å; L946-I950 HydrophobicContact CD1-CG1 4.06Å; L946-I950 HydrophobicContact CG-CD1 3.85Å; L946-I950 HydrophobicContact CG-CG1 4.42Å; L946-I950 WeakPolarHBondContact O-CB 3.41Å; L946-I950 PolarHBondContact O-N 3.06Å; I950-P952 VanDerWaalsContact C-N 3.33Å; I950-P952 VanDerWaalsContact O-CD 3.27Å; I950-P952 WeakPolarHBondContact O-CD 3.27Å; I950-L953 HydrophobicContact CB-CD1 4.13Å; I950-L953 HydrophobicContact CG2-CD1 4.24Å; I950-L953 HydrophobicContact CG2-CG 4.36Å; I950-L953 PolarHBondContact O-N 3.14Å; I950-P954 WeakPolarHBondContact O-CD 3.48Å
951D88.9Confident93.2Very high138 Ų13859.2 Ų59.274%0.73831%0.309SS*.THydrogen-bonded Turntrans-37.7-41.4-166.6-53.1-24.7000117.7L953D951-L953 VanDerWaalsContact C-N 3.3Å; D951-L953 PolarHBondContact O-N 3.1Å
952P89.1Confident93Very high85 Ų8557.8 Ų57.855%0.55230%0.301SS*.Hα-helixtrans-62.7-30175.3-24.133.5000115.1I950 I956I950-P952 VanDerWaalsContact C-N 3.33Å; I950-P952 VanDerWaalsContact O-CD 3.27Å; I950-P952 WeakPolarHBondContact O-CD 3.27Å; P952-I956 WeakPolarHBondContact O-CD1 3.31Å; P952-I956 WeakPolarHBondContact O-CG1 3.28Å
953L90.5Very high92.8Very high43 Ų4359.7 Ų59.723%0.22531%0.306CS..Hα-helixtrans-81.8-47.3-170.7-58.2175.7000113.2L946 I947 I950 D951 M955 I956 F957L946-L953 HydrophobicContact CD2-CD1 4.3Å; L946-L953 HydrophobicContact CG-CD1 4.1Å; I947-L953 HydrophobicContact CB-CB 4.32Å; I947-L953 HydrophobicContact CG2-CB 4.48Å; I947-L953 HydrophobicContact CG2-CD1 4.17Å; I950-L953 HydrophobicContact CB-CD1 4.13Å; I950-L953 HydrophobicContact CG2-CD1 4.24Å; I950-L953 HydrophobicContact CG2-CG 4.36Å; I950-L953 PolarHBondContact O-N 3.14Å; D951-L953 VanDerWaalsContact C-N 3.3Å; D951-L953 PolarHBondContact O-N 3.1Å; L953-M955 PolarHBondContact O-N 3.41Å; L953-I956 PolarHBondContact O-N 3.04Å; L953-F957 HydrophobicContact CB-CD2 4.41Å; L953-F957 VanDerWaalsContact O-CD2 3.29Å; L953-F957 WeakPolarHBondContact O-CD2 3.41Å; L953-F957 PolarHBondContact O-N 3.42Å
954P91.1Very high92.7Very high19 Ų1964.4 Ų64.412%0.12333%0.331CS..Hα-helixtrans-58-33.5178.2-20.226.6000112.9I947 L948 I950 F957 K958 L959I947-P954 VanDerWaalsContact O-CD 3.26Å; I947-P954 WeakPolarHBondContact O-CD 3.33Å; I947-P954 VanDerWaalsContact O-CG 3.26Å; I947-P954 WeakPolarHBondContact O-CG 3.18Å; L948-P954 WeakPolarHBondContact O-CG 3.33Å; I950-P954 WeakPolarHBondContact O-CD 3.48Å; P954-F957 PolarHBondContact O-N 3.09Å; P954-K958 CarbonylContact O-C 3.32Å; P954-K958 VanDerWaalsContact O-CA 3.32Å; P954-K958 WeakPolarHBondContact O-CA 3.47Å; P954-K958 PolarHBondContact O-N 3.5Å; P954-L959 HydrophobicContact CB-CB 4.31Å; P954-L959 WeakPolarHBondContact CB-O 3.33Å; P954-L959 PolarHBondContact O-N 3.36Å
955M87.8Confident92.4Very high140 Ų14067.3 Ų67.369%0.6936%0.355SS*.Hα-helixtrans-63.5-42.3174.2-175.4-169-69.600112.1L953L953-M955 PolarHBondContact O-N 3.41Å
956I88Confident92.3Very high62 Ų6264.5 Ų64.532%0.31834%0.343SS..Hα-helixtrans-69.1-39.5179.8-66.3166.7000111V89 V790 P952 L953V89-I956 HydrophobicContact CG1-CG2 3.98Å; V790-I956 HydrophobicContact CG1-CG2 4.5Å; P952-I956 WeakPolarHBondContact O-CD1 3.31Å; P952-I956 WeakPolarHBondContact O-CG1 3.28Å; L953-I956 PolarHBondContact O-N 3.04Å
957F89.8Confident92.3Very high16 Ų1662.6 Ų62.67%0.0733%0.331CS..Hα-helixtrans-92-0.9-176.4-70.2-75.7000114.1V790 Q791 W794 I947 L953 P954 L959V790-F957 HydrophobicContact CG1-CD1 3.81Å; V790-F957 HydrophobicContact CG1-CE1 3.76Å; Q791-F957 HydrophobicContact CG-CD1 4.44Å; Q791-F957 WeakPolarHBondContact CG-O 3.41Å; Q791-F957 PolarHBondContact NE2-O 3.37Å; W794-F957 HydrophobicContact CB-CE1 3.66Å; W794-F957 HydrophobicContact CB-CZ 4.15Å; W794-F957 HydrophobicContact CD2-CE1 4.33Å; W794-F957 AromaticContact CD2-CZ 3.92Å; W794-F957 HydrophobicContact CD2-CZ 3.92Å; W794-F957 HydrophobicContact CE3-CE1 4.47Å; W794-F957 AromaticContact CE3-CZ 3.8Å; W794-F957 HydrophobicContact CE3-CZ 3.8Å; W794-F957 HydrophobicContact CG-CE1 4.01Å; W794-F957 HydrophobicContact CG-CZ 4.08Å; I947-F957 HydrophobicContact CB-CD2 4.13Å; I947-F957 HydrophobicContact CB-CE2 4.36Å; I947-F957 HydrophobicContact CG2-CD2 4.16Å; I947-F957 HydrophobicContact CG2-CE2 3.87Å; L953-F957 HydrophobicContact CB-CD2 4.41Å; L953-F957 VanDerWaalsContact O-CD2 3.29Å; L953-F957 WeakPolarHBondContact O-CD2 3.41Å; L953-F957 PolarHBondContact O-N 3.42Å; P954-F957 PolarHBondContact O-N 3.09Å; F957-L959 HydrophobicContact CB-CD1 3.57Å; F957-L959 HydrophobicContact CB-CG 3.69Å; F957-L959 HydrophobicContact CG-CD1 4.4Å
958K90.5Very high92.4Very high81 Ų8167 Ų6735%0.35235%0.354SS..THydrogen-bonded Turntrans5256.1-171.4-59.2-161.9174.2-154.80112.6E83 I788 M897 P954E83-K958 IonicContact OE2-NZ 3.03Å; E83-K958 PolarHBondContact OE2-NZ 3.44Å; I788-K958 HydrophobicContact CD1-CB 4.22Å; I788-K958 HydrophobicContact CD1-CD 4.33Å; I788-K958 HydrophobicContact CD1-CG 4.14Å; M897-K958 HydrophobicContact SD-CB 4.28Å; P954-K958 CarbonylContact O-C 3.32Å; P954-K958 VanDerWaalsContact O-CA 3.32Å; P954-K958 WeakPolarHBondContact O-CA 3.47Å; P954-K958 PolarHBondContact O-N 3.5Å
959L94.7Very high92.4Very high9 Ų969 Ų695%0.04736%0.363CS..  trans-123.5159.4-176.9-57.3175.3000112.5T898 L901 I947 L948 P954 F957T898-L959 HydrophobicContact CG2-CD2 4.35Å; T898-L959 VanDerWaalsContact OG1-CA 3.31Å; T898-L959 WeakPolarHBondContact OG1-CA 3.24Å; T898-L959 WeakPolarHBondContact OG1-CD2 3.31Å; L901-L959 HydrophobicContact CB-CD2 4.49Å; L901-L959 HydrophobicContact CD2-CD1 3.62Å; L901-L959 HydrophobicContact CD2-CD2 3.61Å; L901-L959 HydrophobicContact CD2-CG 4.25Å; I947-L959 HydrophobicContact CD1-CD1 3.77Å; I947-L959 HydrophobicContact CG1-CD1 4.08Å; L948-L959 HydrophobicContact CD2-CB 3.77Å; L948-L959 HydrophobicContact CD2-CD1 3.88Å; L948-L959 HydrophobicContact CD2-CG 4.33Å; P954-L959 HydrophobicContact CB-CB 4.31Å; P954-L959 WeakPolarHBondContact CB-O 3.33Å; P954-L959 PolarHBondContact O-N 3.36Å; F957-L959 HydrophobicContact CB-CD1 3.57Å; F957-L959 HydrophobicContact CB-CG 3.69Å; F957-L959 HydrophobicContact CG-CD1 4.4Å
960Q93.9Very high92.6Very high91 Ų9162.9 Ų62.943%0.42534%0.339SS..  trans-141.6140.7174.3-174164.4-33.700111.1E895 T898 L962E895-Q960 HydrophobicContact CG-CB 4.34Å; E895-Q960 HydrophobicContact CG-CG 4.44Å; E895-Q960 PolarHBondContact OE1-NE2 2.99Å; E895-Q960 PolarHBondContact OE1-OE1 3.23Å; T898-Q960 VanDerWaalsContact CG2-O 3.3Å; T898-Q960 WeakPolarHBondContact CG2-O 3.45Å; T898-Q960 PolarHBondContact OG1-N 3.49Å; T898-Q960 PolarHBondContact OG1-O 2.85Å; Q960-L962 PolarHBondContact O-N 2.95Å
961A94.5Very high92.7Very high46 Ų4662.8 Ų62.838%0.3834%0.34SS..PPolyproline II helixtrans-59.3130.2-177.700000112.2Y949Y949-A961 HydrophobicContact CD1-CB 4.2Å; Y949-A961 HydrophobicContact CE1-CB 3.77Å
962L93.6Very high93.1Very high8 Ų862.7 Ų62.74%0.04233%0.332CS..PPolyproline II helixtrans-85.6135.7179.5-64.5-177.7000111.9T898 M899 S902 Q960 H966 W967 V970T898-L962 HydrophobicContact CG2-CD1 4.04Å; T898-L962 HydrophobicContact CG2-CD2 3.92Å; T898-L962 HydrophobicContact CG2-CG 3.71Å; M899-L962 HydrophobicContact CG-CD2 4.16Å; M899-L962 HydrophobicContact SD-CD1 3.95Å; M899-L962 HydrophobicContact SD-CD2 3.91Å; S902-L962 WeakPolarHBondContact OG-CD1 3.33Å; Q960-L962 PolarHBondContact O-N 2.95Å; L962-H966 HydrophobicContact CB-CB 3.94Å; L962-H966 HydrophobicContact CD1-CB 4.41Å; L962-H966 HydrophobicContact CD2-CB 4.05Å; L962-H966 HydrophobicContact CG-CB 4.35Å; L962-W967 HydrophobicContact CD1-CZ2 4.39Å; L962-W967 PolarHBondContact O-NE1 3.47Å; L962-V970 HydrophobicContact CD1-CG2 4.24Å
963D92.9Very high93.4Very high112 Ų11260.2 Ų60.260%0.59931%0.314SS*.PPolyproline II helixtrans-74.3168.7170.2-165.521.3000112.4A965 H966 W967D963-A965 VanDerWaalsContact C-N 3.26Å; D963-A965 PolarHBondContact O-N 3.12Å; D963-H966 WeakPolarHBondContact O-CB 3.33Å; D963-H966 PolarHBondContact O-N 3.07Å; D963-H966 VanDerWaalsContact O-N 3.13Å; D963-W967 PolarHBondContact O-N 3.5Å
964L93Very high93.7Very high139 Ų13958.1 Ų58.173%0.72830%0.303SS*.Hα-helixtrans-60.9-33.9-175.6-165.172.6000112.9W967 L968L964-W967 PolarHBondContact O-N 2.9Å; L964-L968 WeakPolarHBondContact O-CB 3.31Å; L964-L968 PolarHBondContact O-N 3.03Å
965A92.3Very high94Very high61 Ų6161.4 Ų61.450%0.50432%0.319SS..Hα-helixtrans-63.5-42.6176.300000111.7D963 L968 M969D963-A965 VanDerWaalsContact C-N 3.26Å; D963-A965 PolarHBondContact O-N 3.12Å; A965-L968 PolarHBondContact O-N 3.5Å; A965-M969 PolarHBondContact O-N 2.88Å
966H94.1Very high94.5Very high20 Ų2057.7 Ų57.79%0.09331%0.306CS..Hα-helixtrans-63.5-47.3174.4-63.7140.7000111.7W854 D861 M899 L962 D963 L968 M969 V970W854-H966 AromaticContact CH2-CD2 3.97Å; W854-H966 AromaticContact CZ3-CD2 3.85Å; D861-H966 IonicContact OD1-CE1 2.57Å; D861-H966 IonicContact OD1-NE2 2.75Å; D861-H966 PolarHBondContact OD1-NE2 3.23Å; D861-H966 IonicContact OD2-CE1 2.72Å; D861-H966 PolarHBondContact OD2-CE1 2.9Å; D861-H966 IonicContact OD2-NE2 3.81Å; D861-H966 PolarHBondContact OD2-NE2 3.36Å; M899-H966 HydrophobicContact SD-CB 3.7Å; L962-H966 HydrophobicContact CB-CB 3.94Å; L962-H966 HydrophobicContact CD1-CB 4.41Å; L962-H966 HydrophobicContact CD2-CB 4.05Å; L962-H966 HydrophobicContact CG-CB 4.35Å; D963-H966 WeakPolarHBondContact O-CB 3.33Å; D963-H966 PolarHBondContact O-N 3.07Å; D963-H966 VanDerWaalsContact O-N 3.13Å; H966-L968 VanDerWaalsContact C-N 3.28Å; H966-L968 PolarHBondContact O-N 3.23Å; H966-M969 WeakPolarHBondContact O-CA 3.33Å; H966-M969 WeakPolarHBondContact O-CB 3.36Å; H966-M969 PolarHBondContact O-N 3.4Å; H966-V970 WeakPolarHBondContact O-CG2 3.28Å; H966-V970 PolarHBondContact O-N 2.8Å
967W96.1Very high94.9Very high31 Ų3154.8 Ų54.812%0.11729%0.291CS..Hα-helixtrans-59.6-36.9175.8-83.5109.3000113.3H944 F945 L948 L962 D963 L964 M969 V970 L971H944-W967 AromaticContact CD2-CH2 3.76Å; H944-W967 AromaticContact NE2-CH2 3.87Å; F945-W967 HydrophobicContact CD1-CZ2 4.17Å; F945-W967 AromaticContact CE1-CE2 3.84Å; F945-W967 AromaticContact CE1-CH2 3.97Å; F945-W967 HydrophobicContact CE1-CH2 3.97Å; F945-W967 AromaticContact CE1-CZ2 3.4Å; F945-W967 HydrophobicContact CE1-CZ2 3.4Å; F945-W967 HydrophobicContact CZ-CH2 4.27Å; F945-W967 HydrophobicContact CZ-CZ2 4.1Å; L948-W967 HydrophobicContact CD1-CZ2 4.04Å; L962-W967 HydrophobicContact CD1-CZ2 4.39Å; L962-W967 PolarHBondContact O-NE1 3.47Å; D963-W967 PolarHBondContact O-N 3.5Å; L964-W967 PolarHBondContact O-N 2.9Å; W967-M969 VanDerWaalsContact C-N 3.3Å; W967-M969 PolarHBondContact O-N 3.28Å; W967-V970 HydrophobicContact CE3-CB 4.23Å; W967-V970 HydrophobicContact CE3-CG1 4.14Å; W967-V970 HydrophobicContact CZ3-CG1 4.08Å; W967-V970 WeakPolarHBondContact O-CB 3.33Å; W967-V970 PolarHBondContact O-N 3.23Å; W967-L971 WeakPolarHBondContact O-CG 3.48Å; W967-L971 PolarHBondContact O-N 3.04Å
968L96.3Very high95.2Very high94 Ų9456.1 Ų56.149%0.49230%0.298SS..Hα-helixtrans-64.3-37.4175.4-173.768.2000111.6L964 A965 H966 K972L964-L968 WeakPolarHBondContact O-CB 3.31Å; L964-L968 PolarHBondContact O-N 3.03Å; A965-L968 PolarHBondContact O-N 3.5Å; H966-L968 VanDerWaalsContact C-N 3.28Å; H966-L968 PolarHBondContact O-N 3.23Å; L968-K972 VanDerWaalsContact O-CG 3.27Å; L968-K972 WeakPolarHBondContact O-CG 3.48Å; L968-K972 PolarHBondContact O-N 3.39Å; L968-K972 VanDerWaalsContact O-N 3.1Å
969M95.7Very high95.5Very high46 Ų4654 Ų5423%0.22730%0.3CS..Hα-helixtrans-67.2-43.9174.4-174.858.3-176.500111.4W854 M899 A965 H966 W967 L971 K972 I973W854-M969 HydrophobicContact CD2-CE 4.14Å; W854-M969 HydrophobicContact CD2-CG 3.96Å; W854-M969 HydrophobicContact CE3-CG 4.01Å; W854-M969 HydrophobicContact CG-CE 3.91Å; W854-M969 HydrophobicContact CH2-CB 4.13Å; W854-M969 HydrophobicContact CH2-CG 4.11Å; W854-M969 HydrophobicContact CZ2-CB 4.37Å; W854-M969 HydrophobicContact CZ2-CG 4.06Å; W854-M969 HydrophobicContact CZ3-CB 4.3Å; W854-M969 HydrophobicContact CZ3-CG 4.08Å; M899-M969 HydrophobicContact CE-CB 4.23Å; M899-M969 HydrophobicContact CE-CG 4.17Å; A965-M969 PolarHBondContact O-N 2.88Å; H966-M969 WeakPolarHBondContact O-CA 3.33Å; H966-M969 WeakPolarHBondContact O-CB 3.36Å; H966-M969 PolarHBondContact O-N 3.4Å; W967-M969 VanDerWaalsContact C-N 3.3Å; W967-M969 PolarHBondContact O-N 3.28Å; M969-L971 PolarHBondContact O-N 3.25Å; M969-K972 PolarHBondContact O-N 2.92Å; M969-I973 WeakPolarHBondContact O-CG2 3.33Å; M969-I973 PolarHBondContact O-N 3.31Å
970V97.4Very high95.5Very high0 Ų056.3 Ų56.30%031%0.312CS..Hα-helixtrans-54.1-50.3173.51730000110.6M899 V903 T906 L962 H966 W967 K972 I973 S974M899-V970 HydrophobicContact CE-CG2 3.98Å; M899-V970 HydrophobicContact SD-CG2 4.03Å; V903-V970 HydrophobicContact CG2-CB 4.3Å; V903-V970 HydrophobicContact CG2-CG1 4.07Å; V903-V970 HydrophobicContact CG2-CG2 4.11Å; T906-V970 WeakPolarHBondContact OG1-CG1 3.48Å; L962-V970 HydrophobicContact CD1-CG2 4.24Å; H966-V970 WeakPolarHBondContact O-CG2 3.28Å; H966-V970 PolarHBondContact O-N 2.8Å; W967-V970 HydrophobicContact CE3-CB 4.23Å; W967-V970 HydrophobicContact CE3-CG1 4.14Å; W967-V970 HydrophobicContact CZ3-CG1 4.08Å; W967-V970 WeakPolarHBondContact O-CB 3.33Å; W967-V970 PolarHBondContact O-N 3.23Å; V970-K972 VanDerWaalsContact C-N 3.35Å; V970-K972 PolarHBondContact O-N 2.98Å; V970-I973 WeakPolarHBondContact O-CG2 3.34Å; V970-I973 PolarHBondContact O-N 3.04Å; V970-S974 VanDerWaalsContact O-CB 3.27Å; V970-S974 WeakPolarHBondContact O-CB 3.35Å; V970-S974 PolarHBondContact O-N 3.14Å; V970-S974 PolarHBondContact O-OG 3.07Å
971L96.7Very high95.6Very high78 Ų7852 Ų5241%0.40829%0.292SS..Hα-helixtrans-63.5-38.1179.2-68.7175.9000113T906 W967 M969 L975T906-L971 HydrophobicContact CG2-CD2 4.12Å; W967-L971 WeakPolarHBondContact O-CG 3.48Å; W967-L971 PolarHBondContact O-N 3.04Å; M969-L971 PolarHBondContact O-N 3.25Å; L971-L975 HydrophobicContact CB-CD1 4.46Å; L971-L975 WeakPolarHBondContact O-CB 3.5Å; L971-L975 WeakPolarHBondContact O-CG 3.37Å; L971-L975 PolarHBondContact O-N 3.02Å
972K96.3Very high95.6Very high135 Ų13551.4 Ų51.459%0.58728%0.281SS*.Hα-helixtrans-65-38.5179.2-78.9173179.8176.60112.5L968 M969 V970 P976L968-K972 VanDerWaalsContact O-CG 3.27Å; L968-K972 WeakPolarHBondContact O-CG 3.48Å; L968-K972 PolarHBondContact O-N 3.39Å; L968-K972 VanDerWaalsContact O-N 3.1Å; M969-K972 PolarHBondContact O-N 2.92Å; V970-K972 VanDerWaalsContact C-N 3.35Å; V970-K972 PolarHBondContact O-N 2.98Å; K972-P976 VanDerWaalsContact O-CD 3.23Å; K972-P976 WeakPolarHBondContact O-CD 3.14Å; K972-P976 VanDerWaalsContact O-CG 3.29Å; K972-P976 WeakPolarHBondContact O-CG 3.49Å
973I96.4Very high95.7Very high33 Ų3356 Ų5617%0.16931%0.305CS..Hα-helixtrans-85.1-26.9179.7-160.2171.4000112.1Y843 A847 V903 M969 V970Y843-I973 PolarHBondContact OH-O 3.22Å; A847-I973 HydrophobicContact CB-CD1 4.07Å; A847-I973 HydrophobicContact CB-CG1 3.98Å; A847-I973 WeakPolarHBondContact O-CD1 3.21Å; V903-I973 HydrophobicContact CB-CG2 4.36Å; V903-I973 HydrophobicContact CG1-CG2 3.98Å; V903-I973 HydrophobicContact CG2-CG2 3.39Å; M969-I973 WeakPolarHBondContact O-CG2 3.33Å; M969-I973 PolarHBondContact O-N 3.31Å; V970-I973 WeakPolarHBondContact O-CG2 3.34Å; V970-I973 PolarHBondContact O-N 3.04Å
974S97.3Very high95.8Very high0 Ų051.2 Ų51.20%028%0.279CS..Hα-helixtrans-86.7-46.4-177.6-60.60000114.2V903 T906 V970 V977V903-S974 PolarHBondContact O-OG 3.32Å; T906-S974 VanDerWaalsContact CG2-CB 3.42Å; V970-S974 VanDerWaalsContact O-CB 3.27Å; V970-S974 WeakPolarHBondContact O-CB 3.35Å; V970-S974 PolarHBondContact O-N 3.14Å; V970-S974 PolarHBondContact O-OG 3.07Å; S974-V977 VanDerWaalsContact O-CG1 3.22Å; S974-V977 WeakPolarHBondContact O-CG1 3.45Å; S974-V977 PolarHBondContact O-N 3.17Å
975L96.6Very high95.6Very high88 Ų8844.7 Ų44.746%0.46125%0.245SC..THydrogen-bonded Turntrans-57.2-32-175-72176.9000116.3L971 V977 I978L971-L975 HydrophobicContact CB-CD1 4.46Å; L971-L975 WeakPolarHBondContact O-CB 3.5Å; L971-L975 WeakPolarHBondContact O-CG 3.37Å; L971-L975 PolarHBondContact O-N 3.02Å; L975-V977 PolarHBondContact O-N 3.04Å; L975-I978 PolarHBondContact O-N 2.87Å; L975-I978 VanDerWaalsContact O-N 3.14Å
976P97.6Very high95.6Very high62 Ų6246.4 Ų46.440%0.40324%0.241SC..Hα-helixtrans-59.3-17.5178.6-24.534000114.7Y843 K972 I978 G979 L980Y843-P976 WeakPolarHBondContact OH-CB 3.3Å; K972-P976 VanDerWaalsContact O-CD 3.23Å; K972-P976 WeakPolarHBondContact O-CD 3.14Å; K972-P976 VanDerWaalsContact O-CG 3.29Å; K972-P976 WeakPolarHBondContact O-CG 3.49Å; P976-I978 PolarHBondContact O-N 3.17Å; P976-G979 PolarHBondContact O-N 3.07Å; P976-L980 PolarHBondContact O-N 2.93Å
977V96.8Very high95.5Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-58.5-32.4174.876.30000112.6I840 Y843 I907 C910 S974 L975 L980 D981I840-V977 HydrophobicContact CG2-CG2 4.08Å; Y843-V977 HydrophobicContact CD1-CB 4.16Å; Y843-V977 HydrophobicContact CD1-CG2 4.13Å; Y843-V977 HydrophobicContact CE1-CB 3.97Å; Y843-V977 HydrophobicContact CE1-CG2 4.45Å; I907-V977 HydrophobicContact CG2-CB 4.27Å; I907-V977 HydrophobicContact CG2-CG1 4.15Å; I907-V977 HydrophobicContact CG2-CG2 4.03Å; C910-V977 HydrophobicContact CB-CG1 3.51Å; S974-V977 VanDerWaalsContact O-CG1 3.22Å; S974-V977 WeakPolarHBondContact O-CG1 3.45Å; S974-V977 PolarHBondContact O-N 3.17Å; L975-V977 PolarHBondContact O-N 3.04Å; V977-L980 PolarHBondContact O-N 2.99Å; V977-D981 WeakPolarHBondContact O-CB 3.36Å; V977-D981 PolarHBondContact O-N 3.06Å
978I96.6Very high95.1Very high44 Ų4446.8 Ų46.823%0.22625%0.246CC..Hα-helixtrans-64.8-45.9174.7-59.7179.9000110C910 L922 L975 P976 D981 E982C910-I978 HydrophobicContact CB-CD1 3.95Å; C910-I978 HydrophobicContact CB-CG1 3.71Å; L922-I978 HydrophobicContact CD1-CG2 3.81Å; L975-I978 PolarHBondContact O-N 2.87Å; L975-I978 VanDerWaalsContact O-N 3.14Å; P976-I978 PolarHBondContact O-N 3.17Å; I978-D981 PolarHBondContact O-N 3.14Å; I978-E982 HydrophobicContact CG2-CG 4.42Å; I978-E982 WeakPolarHBondContact O-CB 2.83Å; I978-E982 WeakPolarHBondContact O-CG 3.11Å; I978-E982 PolarHBondContact O-N 2.86Å
979G95.9Very high94.5Very high38 Ų3844.5 Ų44.539%0.39223%0.231SC..Hα-helixtrans-64.8-41.3178.500000112.4P976 E982 I983P976-G979 PolarHBondContact O-N 3.07Å; G979-E982 PolarHBondContact O-N 3.47Å; G979-I983 VanDerWaalsContact O-CG1 3.28Å; G979-I983 WeakPolarHBondContact O-CG1 3.08Å; G979-I983 PolarHBondContact O-N 3.33Å; G979-I983 VanDerWaalsContact O-N 3.08Å
980L96.5Very high94.1Very high56 Ų5646.6 Ų46.629%0.29324%0.243SC..Hα-helixtrans-57.1-52.6174.617662.1000110.8Y843 P976 V977 I983 L984Y843-L980 HydrophobicContact CD2-CD2 4.44Å; Y843-L980 HydrophobicContact CG-CD2 4.16Å; P976-L980 PolarHBondContact O-N 2.93Å; V977-L980 PolarHBondContact O-N 2.99Å; L980-I983 PolarHBondContact O-N 3.22Å; L980-L984 HydrophobicContact CD1-CD1 4.33Å; L980-L984 HydrophobicContact CG-CD1 4.23Å; L980-L984 WeakPolarHBondContact O-CG 3.44Å; L980-L984 PolarHBondContact O-N 3.45Å; L980-L984 VanDerWaalsContact O-N 3.08Å
981D95Very high93.6Very high1 Ų154.9 Ų54.91%0.00528%0.275CS..Hα-helixtrans-68.1-36.4-178.3-16860.1000112.8R836 I840 N914 V977 I978 I983 L984 K985R836-D981 IonicContact CZ-OD1 3.42Å; R836-D981 IonicContact CZ-OD2 3.62Å; R836-D981 IonicContact NE-OD1 2.56Å; R836-D981 PolarHBondContact NE-OD1 3.2Å; R836-D981 IonicContact NH2-OD1 2.76Å; R836-D981 PolarHBondContact NH2-OD1 3Å; R836-D981 IonicContact NH2-OD2 3.61Å; R836-D981 PolarHBondContact NH2-OD2 3.39Å; I840-D981 HydrophobicContact CD1-CB 4.36Å; I840-D981 VanDerWaalsContact CD1-OD1 3.32Å; I840-D981 WeakPolarHBondContact CD1-OD1 3.28Å; N914-D981 HydrophobicContact CB-CB 4.26Å; N914-D981 VanDerWaalsContact CB-OD2 3.28Å; N914-D981 WeakPolarHBondContact CB-OD2 3.4Å; N914-D981 VanDerWaalsContact ND2-CB 3.28Å; N914-D981 WeakPolarHBondContact ND2-CB 3.48Å; V977-D981 WeakPolarHBondContact O-CB 3.36Å; V977-D981 PolarHBondContact O-N 3.06Å; I978-D981 PolarHBondContact O-N 3.14Å; D981-I983 VanDerWaalsContact C-N 3.3Å; D981-I983 PolarHBondContact O-N 3.38Å; D981-L984 PolarHBondContact O-N 3.14Å; D981-L984 VanDerWaalsContact O-N 3.15Å; D981-K985 WeakPolarHBondContact O-CB 3.07Å; D981-K985 WeakPolarHBondContact O-CG 3.5Å; D981-K985 PolarHBondContact O-N 2.88Å; D981-K985 WeakPolarHBondContact OD2-CE 3.44Å; D981-K985 IonicContact OD2-NZ 2.7Å
982E95.3Very high92.8Very high34 Ų3455.3 Ų55.316%0.15928%0.278CS..Hα-helixtrans-61.1-38.2174.4-84.4-61.615500112.7S921 L922 I978 G979 F986S921-E982 VanDerWaalsContact CA-OE1 3.3Å; S921-E982 WeakPolarHBondContact CA-OE1 3.42Å; S921-E982 WeakPolarHBondContact CA-OE2 3.22Å; S921-E982 WeakPolarHBondContact CB-OE2 3.26Å; S921-E982 PolarHBondContact OG-OE1 3.2Å; S921-E982 PolarHBondContact OG-OE2 2.98Å; L922-E982 PolarHBondContact N-OE1 3.11Å; I978-E982 HydrophobicContact CG2-CG 4.42Å; I978-E982 WeakPolarHBondContact O-CB 2.83Å; I978-E982 WeakPolarHBondContact O-CG 3.11Å; I978-E982 PolarHBondContact O-N 2.86Å; G979-E982 PolarHBondContact O-N 3.47Å; E982-F986 VanDerWaalsContact O-CB 3.31Å; E982-F986 WeakPolarHBondContact O-CB 3.45Å; E982-F986 PolarHBondContact O-N 2.94Å
983I95.8Very high91.3Very high104 Ų10454.7 Ų54.753%0.53328%0.277SS..Hα-helixtrans-65.7-45.3173.3-67.4165.2000110G979 L980 D981 K985 F986 I987G979-I983 VanDerWaalsContact O-CG1 3.28Å; G979-I983 WeakPolarHBondContact O-CG1 3.08Å; G979-I983 PolarHBondContact O-N 3.33Å; G979-I983 VanDerWaalsContact O-N 3.08Å; L980-I983 PolarHBondContact O-N 3.22Å; D981-I983 VanDerWaalsContact C-N 3.3Å; D981-I983 PolarHBondContact O-N 3.38Å; I983-K985 PolarHBondContact O-N 2.99Å; I983-F986 WeakPolarHBondContact O-CB 3.17Å; I983-F986 PolarHBondContact O-N 3.15Å; I983-F986 VanDerWaalsContact O-N 3.16Å; I983-I987 HydrophobicContact CG2-CD1 4.01Å; I983-I987 WeakPolarHBondContact O-CG1 3.1Å; I983-I987 PolarHBondContact O-N 3.37Å
984L94.1Very high89Confident12 Ų1258.2 Ų58.26%0.06330%0.296CS..Hα-helixtrans-62.7-41.6178.9-66.2172.2000111.8W832 F835 R836 A839 L980 D981 I987 A988W832-L984 HydrophobicContact CH2-CD2 3.99Å; W832-L984 HydrophobicContact CZ2-CB 4.34Å; W832-L984 HydrophobicContact CZ2-CD2 3.93Å; F835-L984 HydrophobicContact CE1-CD2 4.29Å; R836-L984 HydrophobicContact CB-CD1 4.45Å; R836-L984 HydrophobicContact CG-CB 4.23Å; R836-L984 HydrophobicContact CG-CD1 3.88Å; A839-L984 HydrophobicContact CB-CD1 4.38Å; L980-L984 HydrophobicContact CD1-CD1 4.33Å; L980-L984 HydrophobicContact CG-CD1 4.23Å; L980-L984 WeakPolarHBondContact O-CG 3.44Å; L980-L984 PolarHBondContact O-N 3.45Å; L980-L984 VanDerWaalsContact O-N 3.08Å; D981-L984 PolarHBondContact O-N 3.14Å; D981-L984 VanDerWaalsContact O-N 3.15Å; L984-I987 PolarHBondContact O-N 3.33Å; L984-A988 PolarHBondContact O-N 3.4Å
985K89.6Confident86.1Confident1 Ų162.3 Ų62.30%0.00432%0.323CS..Hα-helixtrans-64-39172.3-72.5179.4169.9-177.70112.3R836 N914 S917 E918 Q920 D981 I983 A988 R989R836-K985 VanDerWaalsContact NH2-CG 3.33Å; N914-K985 WeakPolarHBondContact O-CE 3.17Å; N914-K985 PolarHBondContact O-NZ 2.05Å; S917-K985 VanDerWaalsContact O-CE 3.22Å; S917-K985 WeakPolarHBondContact O-CE 3.39Å; S917-K985 PolarHBondContact O-NZ 3.15Å; S917-K985 VanDerWaalsContact O-NZ 3.08Å; E918-K985 WeakPolarHBondContact O-CE 3.42Å; Q920-K985 WeakPolarHBondContact O-CD 3.37Å; Q920-K985 PolarHBondContact O-NZ 3.34Å; D981-K985 WeakPolarHBondContact O-CB 3.07Å; D981-K985 WeakPolarHBondContact O-CG 3.5Å; D981-K985 PolarHBondContact O-N 2.88Å; D981-K985 WeakPolarHBondContact OD2-CE 3.44Å; D981-K985 IonicContact OD2-NZ 2.7Å; I983-K985 PolarHBondContact O-N 2.99Å; K985-A988 WeakPolarHBondContact O-CB 3.43Å; K985-A988 PolarHBondContact O-N 3.1Å; K985-R989 WeakPolarHBondContact O-CG 3.39Å; K985-R989 PolarHBondContact O-N 3.02Å; K985-R989 VanDerWaalsContact O-N 3.1Å
986F91.2Very high83.3Confident98 Ų9864.5 Ų64.543%0.4333%0.331SS..Hα-helixtrans-63.6-41.9176.1-178-90.8000111.8E982 I983 R989 N990 Y991E982-F986 VanDerWaalsContact O-CB 3.31Å; E982-F986 WeakPolarHBondContact O-CB 3.45Å; E982-F986 PolarHBondContact O-N 2.94Å; I983-F986 WeakPolarHBondContact O-CB 3.17Å; I983-F986 PolarHBondContact O-N 3.15Å; I983-F986 VanDerWaalsContact O-N 3.16Å; F986-R989 PolarHBondContact O-N 3.02Å; F986-N990 WeakPolarHBondContact CZ-ND2 3.33Å; F986-N990 WeakPolarHBondContact O-CB 3.44Å; F986-N990 PolarHBondContact O-N 3.15Å; F986-N990 PolarHBondContact O-OD1 3.01Å; F986-Y991 HydrophobicContact CE1-CE2 4.21Å
987I92.8Very high80.6Confident54 Ų5466.6 Ų66.628%0.27734%0.338SS..Hα-helixtrans-62.4-44.9175.3-66165.7000110.5W832 I983 L984 R989 N990 Y991 L992W832-I987 HydrophobicContact CH2-CB 4.24Å; W832-I987 HydrophobicContact CH2-CD1 4.43Å; W832-I987 HydrophobicContact CH2-CG2 3.75Å; W832-I987 HydrophobicContact CZ2-CB 4Å; W832-I987 HydrophobicContact CZ2-CG2 3.85Å; I983-I987 HydrophobicContact CG2-CD1 4.01Å; I983-I987 WeakPolarHBondContact O-CG1 3.1Å; I983-I987 PolarHBondContact O-N 3.37Å; L984-I987 PolarHBondContact O-N 3.33Å; I987-R989 PolarHBondContact O-N 2.99Å; I987-N990 PolarHBondContact O-N 3.17Å; I987-Y991 PolarHBondContact O-N 3.46Å; I987-L992 HydrophobicContact CG2-CD1 4.07Å; I987-L992 HydrophobicContact CG2-CG 4.48Å
988A87.3Confident77.6Confident5 Ų574.1 Ų74.14%0.04137%0.374CS..Iπ-helixtrans-53.9-53.2177.700000112.2L984 K985 N990 L992 E993L984-A988 PolarHBondContact O-N 3.4Å; K985-A988 WeakPolarHBondContact O-CB 3.43Å; K985-A988 PolarHBondContact O-N 3.1Å; A988-N990 PolarHBondContact O-N 3Å; A988-L992 PolarHBondContact O-N 2.94Å; A988-E993 PolarHBondContact O-N 3.3Å
989R84.4Confident74.5Confident46 Ų4682.6 Ų82.617%0.17440%0.403CS..Iπ-helixtrans-66.6-33.1-176.7-68.2-175.8-58.3-100.81.4114.2N919 S921 K985 F986 I987N919-R989 HydrophobicContact CB-CG 4.24Å; N919-R989 WeakPolarHBondContact O-CD 3.44Å; N919-R989 PolarHBondContact O-NH1 2.81Å; S921-R989 VanDerWaalsContact N-NH1 3.13Å; K985-R989 WeakPolarHBondContact O-CG 3.39Å; K985-R989 PolarHBondContact O-N 3.02Å; K985-R989 VanDerWaalsContact O-N 3.1Å; F986-R989 PolarHBondContact O-N 3.02Å; I987-R989 PolarHBondContact O-N 2.99Å
990N86.3Confident71.7Confident89 Ų8990.9 Ų90.948%0.47642%0.422SS..Iπ-helixtrans-103.2-22.7-167.3-73.550.2000113.9F986 I987 A988F986-N990 WeakPolarHBondContact CZ-ND2 3.33Å; F986-N990 WeakPolarHBondContact O-CB 3.44Å; F986-N990 PolarHBondContact O-N 3.15Å; F986-N990 PolarHBondContact O-OD1 3.01Å; I987-N990 PolarHBondContact O-N 3.17Å; A988-N990 PolarHBondContact O-N 3Å
991Y88Confident68.8Low174 Ų17498.4 Ų98.468%0.68245%0.453SS*.Iπ-helixtrans-132.6-5.7-170.6-58.8-81.5000114.1F986 I987F986-Y991 HydrophobicContact CE1-CE2 4.21Å; I987-Y991 PolarHBondContact O-N 3.46Å
992L80.2Confident67.5Low88 Ų88103.3 Ų103.346%0.46148%0.475SS..Iπ-helixtrans-125.4-11.1-176.2-64.2171.2000114.4W832 I987 A988 D994W832-L992 HydrophobicContact CB-CD1 4.14Å; W832-L992 HydrophobicContact CD2-CD1 3.18Å; W832-L992 VanDerWaalsContact CE2-CD1 3.45Å; W832-L992 HydrophobicContact CE3-CD1 3.49Å; W832-L992 VanDerWaalsContact CE3-CD1 3.49Å; W832-L992 HydrophobicContact CG-CD1 3.48Å; W832-L992 VanDerWaalsContact CG-CD1 3.48Å; W832-L992 HydrophobicContact CH2-CD1 4.22Å; W832-L992 HydrophobicContact CZ2-CD1 3.97Å; W832-L992 HydrophobicContact CZ3-CD1 4Å; I987-L992 HydrophobicContact CG2-CD1 4.07Å; I987-L992 HydrophobicContact CG2-CG 4.48Å; A988-L992 PolarHBondContact O-N 2.94Å; L992-D994 PolarHBondContact O-N 3.24Å
993E64.1Low66Low121 Ų121106.9 Ų106.957%0.56549%0.492SS*.SBendtrans-68.4122.6168.1-78.7-170.9177.700109.5A988A988-E993 PolarHBondContact O-N 3.3Å
994D47.6Very low64.3Low107 Ų107107.1 Ų107.157%0.57249%0.489SS*.  trans-69.4134.1-174-133.5-23.8000110.3L992 E996 D997L992-D994 PolarHBondContact O-N 3.24Å; D994-E996 PolarHBondContact O-N 3.23Å; D994-D997 PolarHBondContact O-N 2.98Å; D994-D997 VanDerWaalsContact O-N 3.07Å
995P37.3Very low62.6Low87 Ų87112.7 Ų112.757%0.56551%0.514SS*.THydrogen-bonded Turntrans-60.2-10.3177.1-22.132.1000114.8
996E37.7Very low60.9Low133 Ų133119.7 Ų119.762%0.62155%0.546SS*.THydrogen-bonded Turntrans-76.3-27.8174.6-71-163.4156.500113.3D994 R999D994-E996 PolarHBondContact O-N 3.23Å; E996-R999 PolarHBondContact O-N 3.03Å
997D40.3Very low58.9Low106 Ų106121.1 Ų121.157%0.56755%0.554SS**THydrogen-bonded Turntrans-76.6-26.6176.7-88.1-23.2000112.5D994 R999 K1001D994-D997 PolarHBondContact O-N 2.98Å; D994-D997 VanDerWaalsContact O-N 3.07Å; D997-R999 VanDerWaalsContact C-N 3.33Å; D997-K1001 PolarHBondContact O-N 3.25Å
998E33.4Very low56.5Low158 Ų158125.9 Ų125.974%0.73857%0.574SS**THydrogen-bonded Turntrans-73.1-21.1170.7-97.7-167.3160.300113.5
999R32.9Very low54.1Low222 Ų222135.2 Ų135.284%0.83862%0.615SS**THydrogen-bonded Turntrans-88.5-10.3177.6-74.5-176.2-177.3176.53.7113.9E996 D997E996-R999 PolarHBondContact O-N 3.03Å; D997-R999 VanDerWaalsContact C-N 3.33Å
1000R36.8Very low51.6Low213 Ų213142.7 Ų142.780%0.80465%0.652SS**THydrogen-bonded Turntrans-104-16.7179.5-76.3-177.3175176.32.4113.9
1001K34.1Very low48.4Very low214 Ų214147.5 Ų147.593%0.9367%0.668SS**  trans-74.20158.8-69.1179.2-178.2171.80109.7D997D997-K1001 PolarHBondContact O-N 3.25Å

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