A0A3Q0KFI8_SCHMA Loading...

Putative ring finger protein 11 (Sid 1669) (Nedd4 ww domain-binding protein 2)

AlphaFold DB , UniProt , Accession A0A3Q0KFI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 448 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
1M53.7Low74.1Confident211 Ų211122 Ų122100%1.03962%0.623SS**  0-28.10-91.7-166.917000112.8D3M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.25Å
2S61.9Low75.1Confident82 Ų82116.1 Ų116.157%0.57361%0.606SS**THydrogen-bonded Turntrans-43.5-42.8173.235.80000115.7N4 H5 F6S2-N4 PolarHBondContact O-N 3.07Å; S2-H5 WeakPolarHBondContact O-CA 3.11Å; S2-H5 VanDerWaalsContact O-CB 3.25Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.82Å; S2-F6 PolarHBondContact O-N 3.17Å
3D61.8Low75.9Confident113 Ų113116.3 Ų116.360%0.60460%0.602SS**Hα-helixtrans-76.5-29.9-154.7-32.2-57.5000111.6M1 H5 F6 S7M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.25Å; D3-H5 PolarHBondContact O-N 3.07Å; D3-F6 PolarHBondContact O-N 2.81Å; D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.86Å
4N73.4Confident76.6Confident123 Ų123114 Ų11466%0.65859%0.587SS**Hα-helixtrans-62.5-30.2169-74.1-21.2000112.5S2 R8S2-N4 PolarHBondContact O-N 3.07Å; N4-R8 WeakPolarHBondContact O-CB 3.46Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.02Å; N4-R8 VanDerWaalsContact O-N 3.1Å
5H74.5Confident77.3Confident146 Ų146117.1 Ų117.168%0.67659%0.588SS**Hα-helixtrans-74.4-44.4177.6-162.1-89.8000111.1S2 D3 R8 A9S2-H5 WeakPolarHBondContact O-CA 3.11Å; S2-H5 VanDerWaalsContact O-CB 3.25Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.82Å; D3-H5 PolarHBondContact O-N 3.07Å; H5-R8 PolarHBondContact O-N 3.1Å; H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.2Å
6F75.8Confident77.9Confident153 Ų153113 Ų11367%0.67158%0.578SS**Hα-helixtrans-62.9-44.3176.3-170.6-96.6000111.9S2 D3 R8 A9 L10S2-F6 PolarHBondContact O-N 3.17Å; D3-F6 PolarHBondContact O-N 2.81Å; F6-R8 PolarHBondContact O-N 3.06Å; F6-A9 PolarHBondContact O-N 2.95Å; F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 3.46Å
7S81.1Confident78.3Confident61 Ų61112 Ų11243%0.42757%0.573SS.*Hα-helixtrans-60.4-43.5175.1-176.50000112.3D3 L10 M11D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.86Å; S7-L10 PolarHBondContact O-N 3.01Å; S7-M11 VanDerWaalsContact O-CB 3.31Å; S7-M11 WeakPolarHBondContact O-CB 3.5Å; S7-M11 WeakPolarHBondContact O-CG 3.42Å; S7-M11 PolarHBondContact O-N 2.76Å
8R81.7Confident78.8Confident195 Ų195113.7 Ų113.774%0.73657%0.571SS**Hα-helixtrans-65.2-38175-76.2174.469.1145.7-0112.9N4 H5 F6 A12N4-R8 WeakPolarHBondContact O-CB 3.46Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.02Å; N4-R8 VanDerWaalsContact O-N 3.1Å; H5-R8 PolarHBondContact O-N 3.1Å; F6-R8 PolarHBondContact O-N 3.06Å; R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 3.05Å
9A82.6Confident79.3Confident49 Ų49113.7 Ų113.741%0.40557%0.569SS.*Hα-helixtrans-65.4-45.5175.800000111.6H5 F6 M11 A12 H13H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.2Å; F6-A9 PolarHBondContact O-N 2.95Å; A9-M11 PolarHBondContact O-N 3.25Å; A9-A12 WeakPolarHBondContact O-CB 3.35Å; A9-A12 PolarHBondContact O-N 2.91Å; A9-A12 VanDerWaalsContact O-N 3.12Å; A9-H13 WeakPolarHBondContact O-CB 3.26Å; A9-H13 PolarHBondContact O-N 3.08Å
10L85Confident79.8Confident100 Ų100113.1 Ų113.152%0.52457%0.571SS.*Hα-helixtrans-61.5-45.2175.7-172.963.9000111.5F6 S7 A12 H13 E14F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 3.46Å; S7-L10 PolarHBondContact O-N 3.01Å; L10-A12 PolarHBondContact O-N 3.48Å; L10-H13 PolarHBondContact O-N 3.05Å; L10-E14 WeakPolarHBondContact O-CB 3.44Å; L10-E14 PolarHBondContact O-N 3.32Å
11M83.9Confident80.2Confident109 Ų109113 Ų11354%0.53757%0.568SS.*Hα-helixtrans-64.4-20.5174.4-74.5-93.7-178.700114.2S7 A9 R15S7-M11 VanDerWaalsContact O-CB 3.31Å; S7-M11 WeakPolarHBondContact O-CB 3.5Å; S7-M11 WeakPolarHBondContact O-CG 3.42Å; S7-M11 PolarHBondContact O-N 2.76Å; A9-M11 PolarHBondContact O-N 3.25Å; M11-R15 PolarHBondContact O-NE 2.86Å; M11-R15 PolarHBondContact O-NH2 3.18Å
12A85.6Confident81.8Confident51 Ų51108.7 Ų108.742%0.42155%0.546SS..Hα-helixtrans-85-45.8172.900000110.8R8 A9 L10 E14 R15 A16R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 3.05Å; A9-A12 WeakPolarHBondContact O-CB 3.35Å; A9-A12 PolarHBondContact O-N 2.91Å; A9-A12 VanDerWaalsContact O-N 3.12Å; L10-A12 PolarHBondContact O-N 3.48Å; A12-E14 PolarHBondContact O-N 3.33Å; A12-R15 PolarHBondContact O-N 2.88Å; A12-A16 PolarHBondContact O-N 3.35Å
13H86.3Confident82.9Confident119 Ų119108.3 Ų108.355%0.55154%0.535SS*.Hα-helixtrans-59.8-43.6176.2-176-111.4000112.1A9 L10 R15 A16 I17A9-H13 WeakPolarHBondContact O-CB 3.26Å; A9-H13 PolarHBondContact O-N 3.08Å; L10-H13 PolarHBondContact O-N 3.05Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 3.02Å; H13-A16 WeakPolarHBondContact O-CB 3.48Å; H13-A16 PolarHBondContact O-N 3.42Å; H13-I17 WeakPolarHBondContact O-CG1 3.46Å; H13-I17 PolarHBondContact O-N 3.05Å
14E84.9Confident84.1Confident84 Ų84110.1 Ų110.139%0.39354%0.538SS..Hα-helixtrans-65-37.3177.2-154.1-146.712500112.1L10 A12 I17 R18L10-E14 WeakPolarHBondContact O-CB 3.44Å; L10-E14 PolarHBondContact O-N 3.32Å; A12-E14 PolarHBondContact O-N 3.33Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-R18 WeakPolarHBondContact O-CG 3.3Å; E14-R18 PolarHBondContact O-N 3.33Å; E14-R18 IonicContact OE1-CZ 2.7Å; E14-R18 IonicContact OE1-NE 2.7Å; E14-R18 PolarHBondContact OE1-NE 3.02Å; E14-R18 IonicContact OE1-NH2 3.68Å; E14-R18 PolarHBondContact OE1-NH2 2.68Å; E14-R18 IonicContact OE2-NH2 3.8Å
15R87.9Confident84.8Confident160 Ų160109.4 Ų109.460%0.60453%0.53SS*.Hα-helixtrans-65.1-40.1172-90-179-75.6175.4-5.8112.3M11 A12 H13 R18 H19M11-R15 PolarHBondContact O-NE 2.86Å; M11-R15 PolarHBondContact O-NH2 3.18Å; A12-R15 PolarHBondContact O-N 2.88Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 3.02Å; R15-R18 PolarHBondContact O-N 3.1Å; R15-H19 WeakPolarHBondContact O-CB 3.31Å; R15-H19 PolarHBondContact O-N 3.08Å
16A85.9Confident85.3Confident52 Ų52108.1 Ų108.143%0.4352%0.519SS..Hα-helixtrans-62-44.1175.100000111.6A12 H13 R18 H19 V20A12-A16 PolarHBondContact O-N 3.35Å; H13-A16 WeakPolarHBondContact O-CB 3.48Å; H13-A16 PolarHBondContact O-N 3.42Å; A16-R18 PolarHBondContact O-N 3.48Å; A16-H19 PolarHBondContact O-N 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.02Å
17I85Confident85.5Confident96 Ų96103.7 Ų103.749%0.49251%0.505SS..Hα-helixtrans-59.2-47.4174.2-68.7168.2000111H13 E14 H19 V20 H21H13-I17 WeakPolarHBondContact O-CG1 3.46Å; H13-I17 PolarHBondContact O-N 3.05Å; E14-I17 PolarHBondContact O-N 3.48Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.19Å; I17-V20 PolarHBondContact O-N 3.04Å; I17-H21 WeakPolarHBondContact O-CB 3.3Å; I17-H21 PolarHBondContact O-N 3.39Å
18R87.1Confident85.4Confident143 Ų143103.1 Ų103.154%0.5450%0.504SS..Hα-helixtrans-61.6-40.3177.8-68.8-167-131.6159.90.6112.1E14 R15 A16 H21 Q22E14-R18 WeakPolarHBondContact O-CG 3.3Å; E14-R18 PolarHBondContact O-N 3.33Å; E14-R18 IonicContact OE1-CZ 2.7Å; E14-R18 IonicContact OE1-NE 2.7Å; E14-R18 PolarHBondContact OE1-NE 3.02Å; E14-R18 IonicContact OE1-NH2 3.68Å; E14-R18 PolarHBondContact OE1-NH2 2.68Å; E14-R18 IonicContact OE2-NH2 3.8Å; R15-R18 PolarHBondContact O-N 3.1Å; A16-R18 PolarHBondContact O-N 3.48Å; R18-H21 PolarHBondContact O-N 3.09Å; R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 3.42Å
19H88.3Confident85.2Confident113 Ų11398.5 Ų98.552%0.52349%0.49SS..Hα-helixtrans-64.3-46.5176.6-169.5-73.9000112R15 A16 I17 H21 Q22 E23R15-H19 WeakPolarHBondContact O-CB 3.31Å; R15-H19 PolarHBondContact O-N 3.08Å; A16-H19 PolarHBondContact O-N 3.3Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.19Å; H19-H21 VanDerWaalsContact C-N 3.29Å; H19-H21 PolarHBondContact O-N 3.33Å; H19-Q22 PolarHBondContact O-N 3.44Å; H19-E23 WeakPolarHBondContact O-CG 3.45Å; H19-E23 PolarHBondContact O-N 2.83Å
20V88.9Confident84.9Confident101 Ų101100.2 Ų100.261%0.61249%0.49SS*.Hα-helixtrans-61.7-38176.1172.20000111.3A16 I17 F24A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.02Å; I17-V20 PolarHBondContact O-N 3.04Å; V20-F24 VanDerWaalsContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.07Å
21H88Confident84.4Confident111 Ų111100.6 Ų100.651%0.51449%0.492SS..Hα-helixtrans-66.2-40.8174.7-171.6-82000112.5I17 R18 H19 F24 Q25I17-H21 WeakPolarHBondContact O-CB 3.3Å; I17-H21 PolarHBondContact O-N 3.39Å; R18-H21 PolarHBondContact O-N 3.09Å; H19-H21 VanDerWaalsContact C-N 3.29Å; H19-H21 PolarHBondContact O-N 3.33Å; H21-F24 PolarHBondContact O-N 3.14Å; H21-Q25 PolarHBondContact CE1-OE1 3.46Å; H21-Q25 VanDerWaalsContact CE1-OE1 3.31Å; H21-Q25 PolarHBondContact ND1-OE1 3.19Å; H21-Q25 WeakPolarHBondContact O-CG 3.49Å; H21-Q25 PolarHBondContact O-N 3.15Å
22Q87.7Confident84Confident122 Ų122101.5 Ų101.557%0.5749%0.493SS*.Hα-helixtrans-65.3-44.2175.9-75.7176.9-48.500111.9R18 H19 Q25 R26R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 3.42Å; H19-Q22 PolarHBondContact O-N 3.44Å; Q22-Q25 PolarHBondContact O-N 3.4Å; Q22-R26 PolarHBondContact O-N 2.55Å
23E86.2Confident83.4Confident73 Ų73103.8 Ų103.834%0.34150%0.498SS..Hα-helixtrans-63.7-40.8175.2-71.1-63.894.800111.9H19 Q25 R26 V27H19-E23 WeakPolarHBondContact O-CG 3.45Å; H19-E23 PolarHBondContact O-N 2.83Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.45Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.94Å; E23-R26 IonicContact OE1-NH1 3.29Å; E23-R26 PolarHBondContact OE1-NH1 2.72Å; E23-R26 IonicContact OE2-CZ 2.74Å; E23-R26 IonicContact OE2-NH1 2.98Å; E23-R26 PolarHBondContact OE2-NH1 3.14Å; E23-V27 WeakPolarHBondContact O-CG2 3.27Å; E23-V27 PolarHBondContact O-N 3.33Å
24F86.8Confident82.6Confident152 Ų152103 Ų10367%0.66751%0.506SS*.Hα-helixtrans-61.8-40.6173.6-177-92.2000112.1V20 H21 A28V20-F24 VanDerWaalsContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.07Å; H21-F24 PolarHBondContact O-N 3.14Å; F24-A28 VanDerWaalsContact O-CB 3.24Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.76Å
25Q87.2Confident81.2Confident107 Ų107101.6 Ų101.650%0.551%0.505SS..Hα-helixtrans-65.8-39.9174-74.3179.7-6100112.1H21 Q22 E23 A28 Q29H21-Q25 PolarHBondContact CE1-OE1 3.46Å; H21-Q25 VanDerWaalsContact CE1-OE1 3.31Å; H21-Q25 PolarHBondContact ND1-OE1 3.19Å; H21-Q25 WeakPolarHBondContact O-CG 3.49Å; H21-Q25 PolarHBondContact O-N 3.15Å; Q22-Q25 PolarHBondContact O-N 3.4Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.45Å; Q25-A28 PolarHBondContact O-N 2.98Å; Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 2.8Å
26R85.1Confident79.1Confident119 Ų11998.4 Ų98.445%0.44951%0.513SS..Hα-helixtrans-63.9-48.5177-152.6-168.981.1-127.3-9.7111.1Q22 E23 A28 Q29 E30Q22-R26 PolarHBondContact O-N 2.55Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.94Å; E23-R26 IonicContact OE1-NH1 3.29Å; E23-R26 PolarHBondContact OE1-NH1 2.72Å; E23-R26 IonicContact OE2-CZ 2.74Å; E23-R26 IonicContact OE2-NH1 2.98Å; E23-R26 PolarHBondContact OE2-NH1 3.14Å; R26-A28 VanDerWaalsContact C-N 3.35Å; R26-A28 PolarHBondContact O-N 2.92Å; R26-Q29 PolarHBondContact O-N 3.15Å; R26-Q29 VanDerWaalsContact O-N 3.16Å; R26-E30 IonicContact CZ-OE1 3.35Å; R26-E30 VanDerWaalsContact CZ-OE1 3.29Å; R26-E30 IonicContact NE-OE1 2.7Å; R26-E30 PolarHBondContact NE-OE1 2.74Å; R26-E30 IonicContact NH2-OE1 3.87Å; R26-E30 PolarHBondContact NH2-OE1 3Å; R26-E30 IonicContact NH2-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CG 3.37Å; R26-E30 PolarHBondContact O-N 3.45Å
27V81.1Confident76.9Confident61 Ų61102.6 Ų102.637%0.3753%0.527SS..Hα-helixtrans-64.4-37.6176.8172.70000111.8E23 Q29 E30 I31E23-V27 WeakPolarHBondContact O-CG2 3.27Å; E23-V27 PolarHBondContact O-N 3.33Å; V27-Q29 VanDerWaalsContact C-N 3.32Å; V27-Q29 PolarHBondContact O-N 3.21Å; V27-E30 PolarHBondContact O-N 2.58Å; V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CB 3.46Å; V27-I31 WeakPolarHBondContact O-CD1 3.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.33Å; V27-I31 PolarHBondContact O-N 2.77Å
28A77.7Confident74.8Confident48 Ų48102.8 Ų102.840%0.39754%0.535SS..Hα-helixtrans-63.7-37.1174.200000112.4F24 Q25 R26 F32F24-A28 VanDerWaalsContact O-CB 3.24Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.76Å; Q25-A28 PolarHBondContact O-N 2.98Å; R26-A28 VanDerWaalsContact C-N 3.35Å; R26-A28 PolarHBondContact O-N 2.92Å; A28-F32 WeakPolarHBondContact O-CB 3.18Å; A28-F32 PolarHBondContact O-N 3.15Å
29Q77.8Confident72.5Confident98 Ų98105.8 Ų105.846%0.45855%0.546SS..Hα-helixtrans-72.2-46175.3-170.961.842.800111.7Q25 R26 V27 I31 F32 D33Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 2.8Å; R26-Q29 PolarHBondContact O-N 3.15Å; R26-Q29 VanDerWaalsContact O-N 3.16Å; V27-Q29 VanDerWaalsContact C-N 3.32Å; V27-Q29 PolarHBondContact O-N 3.21Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 3.08Å; Q29-F32 WeakPolarHBondContact O-CB 3.19Å; Q29-F32 PolarHBondContact O-N 3.45Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.42Å; Q29-D33 PolarHBondContact NE2-OD1 2.91Å; Q29-D33 PolarHBondContact NE2-OD2 2.97Å; Q29-D33 PolarHBondContact O-N 3.08Å
30E77.4Confident70.4Confident85 Ų85108.1 Ų108.140%0.39756%0.558SS.*Hα-helixtrans-54.6-42.7173.3-74.2168.1-167.100111.7R26 V27 S34R26-E30 IonicContact CZ-OE1 3.35Å; R26-E30 VanDerWaalsContact CZ-OE1 3.29Å; R26-E30 IonicContact NE-OE1 2.7Å; R26-E30 PolarHBondContact NE-OE1 2.74Å; R26-E30 IonicContact NH2-OE1 3.87Å; R26-E30 PolarHBondContact NH2-OE1 3Å; R26-E30 IonicContact NH2-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CG 3.37Å; R26-E30 PolarHBondContact O-N 3.45Å; V27-E30 PolarHBondContact O-N 2.58Å; E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 2.99Å; E30-S34 PolarHBondContact O-OG 3.19Å
31I74.2Confident67.8Low109 Ų109112.4 Ų112.456%0.55957%0.568SS**Hα-helixtrans-64.8-44.3174.3-71.4166.5000110.8V27 Q29 S35V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CB 3.46Å; V27-I31 WeakPolarHBondContact O-CD1 3.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.33Å; V27-I31 PolarHBondContact O-N 2.77Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 3.08Å; I31-S35 WeakPolarHBondContact O-CB 3.37Å; I31-S35 PolarHBondContact O-N 3.26Å; I31-S35 PolarHBondContact O-OG 3.1Å
32F74.2Confident65.2Low128 Ų128115.9 Ų115.956%0.56158%0.582SS**Hα-helixtrans-62.2-49.3-179.3-169-95.3000111.6A28 Q29 S35A28-F32 WeakPolarHBondContact O-CB 3.18Å; A28-F32 PolarHBondContact O-N 3.15Å; Q29-F32 WeakPolarHBondContact O-CB 3.19Å; Q29-F32 PolarHBondContact O-N 3.45Å; F32-S35 WeakPolarHBondContact CA-OG 3.45Å; F32-S35 CarbonylContact O-C 3.59Å; F32-S35 WeakPolarHBondContact O-CA 3.43Å; F32-S35 PolarHBondContact O-N 3.48Å; F32-S35 VanDerWaalsContact O-N 3.08Å; F32-S35 PolarHBondContact O-OG 3.34Å
33D73.9Confident62.7Low98 Ų98117.4 Ų117.452%0.52459%0.594SS.*Hα-helixtrans-72.3-34.2-177.9-62.8-29.2000112.2Q29 S35Q29-D33 WeakPolarHBondContact CG-OD2 3.42Å; Q29-D33 PolarHBondContact NE2-OD1 2.91Å; Q29-D33 PolarHBondContact NE2-OD2 2.97Å; Q29-D33 PolarHBondContact O-N 3.08Å; D33-S35 PolarHBondContact O-N 3.38Å
34S70.1Confident60.3Low104 Ų104118.5 Ų118.573%0.72761%0.61SS**Hα-helixtrans-66.7-27.9168.4-59.40000112.3E30 A36E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 2.99Å; E30-S34 PolarHBondContact O-OG 3.19Å; S34-A36 PolarHBondContact O-N 3.37Å; S34-A36 VanDerWaalsContact O-N 3.14Å
35S53.6Low58.4Low54 Ų54120.1 Ų120.138%0.37862%0.619SS.*  trans-86.954.3176.873.70000112.5I31 F32 D33 L37I31-S35 WeakPolarHBondContact O-CB 3.37Å; I31-S35 PolarHBondContact O-N 3.26Å; I31-S35 PolarHBondContact O-OG 3.1Å; F32-S35 WeakPolarHBondContact CA-OG 3.45Å; F32-S35 CarbonylContact O-C 3.59Å; F32-S35 WeakPolarHBondContact O-CA 3.43Å; F32-S35 PolarHBondContact O-N 3.48Å; F32-S35 VanDerWaalsContact O-N 3.08Å; F32-S35 PolarHBondContact O-OG 3.34Å; D33-S35 PolarHBondContact O-N 3.38Å; S35-L37 PolarHBondContact O-N 2.68Å
36A44.8Very low56.1Low93 Ų93124 Ų12477%0.76964%0.635SS**  trans-67.553.3168.500000112.5S34S34-A36 PolarHBondContact O-N 3.37Å; S34-A36 VanDerWaalsContact O-N 3.14Å
37L39.8Very low53.7Low139 Ų139127.8 Ų127.873%0.72865%0.649SS**  trans-79.2135.9176.4-68.1174000109.8S35 R39S35-L37 PolarHBondContact O-N 2.68Å; L37-R39 PolarHBondContact O-N 2.87Å
38P40.2Very low51.4Low100 Ų100132 Ų13265%0.64967%0.67SS**  trans-55.5130.5176.9-27.335.3000112.4Q40P38-Q40 HydrophobicContact CB-CG 4.39Å; P38-Q40 PolarHBondContact O-N 2.94Å
39R39.4Very low49.5Very low207 Ų207137.2 Ų137.278%0.78169%0.689SS**THydrogen-bonded Turntrans-68.724.3-176.9-72.1-179.1165.1-119.40.8115.1L37L37-R39 PolarHBondContact O-N 2.87Å
40Q43.7Very low47.5Very low162 Ų162136.4 Ų136.476%0.75770%0.695SS**THydrogen-bonded Turntrans-90.4-7.2-165.7-67.4-176-1600115.2P38P38-Q40 HydrophobicContact CB-CG 4.39Å; P38-Q40 PolarHBondContact O-N 2.94Å
41F35.7Very low45.5Very low191 Ų191139.6 Ų139.684%0.83871%0.713SS**  trans-124.558.5-177.5-67.6-74.6000114.3
42F32.9Very low43.7Very low183 Ų183140.8 Ų140.880%0.80372%0.719SS**  trans-118.2118.9162.9-87.1-83.4000111.5
43N35.4Very low41.8Very low155 Ų155140 Ų14083%0.82973%0.727SS**  trans-61137.8174.5-95.7-55.5000110.9Q45N43-Q45 PolarHBondContact O-N 2.93Å
44S35.4Very low40.1Very low95 Ų95141 Ų14166%0.66474%0.741SS**THydrogen-bonded Turntrans-73.949.7-165.5-177.70000115.5
45Q47.8Very low38.7Very low186 Ų186143.8 Ų143.887%0.86975%0.748SS**THydrogen-bonded Turntrans-120.1-5.5171.4-66-170.15.200114N43N43-Q45 PolarHBondContact O-N 2.93Å
46F38.5Very low38Very low188 Ų188152.2 Ų152.283%0.82577%0.772SS**  trans-110.4104.6165.8-73.9-85.2000109.6
47R34.7Very low37.6Very low199 Ų199150.8 Ų150.875%0.75177%0.765SS**  trans-107156.9161.3-70.8-168.4175.2-152.2-2.2109.1
48D33.2Very low37.6Very low151 Ų151150.8 Ų150.881%0.80777%0.771SS**  trans67.847.1160.1-45.3-27.9000117.9
49I35.9Very low37.4Very low157 Ų157152.7 Ų152.781%0.80577%0.772SS**  trans-129.799.7139.1-54.1-179.2000109I51I49-I51 HydrophobicContact CG2-CG1 4.31Å
50S35.7Very low37.3Very low81 Ų81151.7 Ų151.757%0.56677%0.768SS**  trans-125.196.7169.156.60000109.3I52S50-I52 PolarHBondContact O-N 3.32Å
51I36.8Very low37Very low151 Ų151150.5 Ų150.577%0.77477%0.767SS**  trans-77.2115.3171.5-58.3175.5000107I49I49-I51 HydrophobicContact CG2-CG1 4.31Å
52I35.5Very low37Very low135 Ų135148.5 Ų148.569%0.69276%0.764SS**  trans-96.2123.9173.3-60.3175.3000107S50 S54S50-I52 PolarHBondContact O-N 3.32Å; I52-S54 PolarHBondContact O-N 2.79Å
53P35.2Very low37.2Very low112 Ų112146.7 Ų146.773%0.72777%0.768SS**  trans-61131.3172.2-21.233.3000110.6D55P53-D55 PolarHBondContact O-N 3.02Å
54S37.6Very low36.9Very low118 Ų118149.7 Ų149.783%0.82577%0.767SS**  trans-90.988174.2-59.60000109.7I52I52-S54 PolarHBondContact O-N 2.79Å
55D40.6Very low37Very low163 Ų163151.3 Ų151.387%0.87277%0.773SS**  trans-69.8156.9168.8-159.41.9000111P53P53-D55 PolarHBondContact O-N 3.02Å
56R40Very low36.4Very low231 Ų231147.5 Ų147.587%0.87276%0.763SS**  trans-115.5110.9-163.6-81.4-178.2164.9-172.2-3.1114.2
57G35.4Very low36Very low62 Ų62146.4 Ų146.464%0.63977%0.765SS**  trans97.1159.5134.900000117.2
58T39.5Very low36.2Very low139 Ų139142.6 Ų142.685%0.85377%0.768SS**  trans61.4141-168.870.60000113.2
59Q37.3Very low36.3Very low141 Ų141142.4 Ų142.466%0.65977%0.767SS**  cis-151.216011.3-143.1175.9-120.900109.7
60R35.9Very low36.5Very low185 Ų185140.8 Ų140.870%0.69877%0.77SS**  trans31.4134.7141-75.2174.7-165.2123.52.4119.6
61D38.6Very low36.8Very low138 Ų138143.8 Ų143.874%0.73878%0.78SS**  cis-156.8-175.627.3-101.3-36.8000114.6
62L35Very low36.9Very low148 Ų148143.7 Ų143.778%0.77578%0.781SS**  trans-82149.3-171.6-51.188.2000115.5
63V37.7Very low37.1Very low146 Ų146144.1 Ų144.189%0.88579%0.789SS**  trans-141143.7134-177.30000108.9
64R29.2Very low37.4Very low217 Ų217145.7 Ų145.782%0.81980%0.797SS**  trans-144.8115-173.6174.4-165.9-179.6-175.91.9112.1
65V36.2Very low37.3Very low129 Ų129143.2 Ų143.278%0.78279%0.79SS**  trans-149.387168.7-1760000107.5
66T35.5Very low37Very low106 Ų106143.5 Ų143.565%0.6579%0.791SS**  66.397.692.661.40000116.7
67L31.5Very low36.9Very low166 Ų166138 Ų13887%0.86979%0.788SS**  trans-5.6142.4145.5-54.4166.9000119.4
68S38.2Very low37Very low118 Ų118145.9 Ų145.983%0.82580%0.799SS**  -169132.912557.70000111.8
69D34.3Very low37.1Very low148 Ų148145.7 Ų145.779%0.79180%0.797SS**  trans-81.1158.7178.4-49.9-91.1000113.8
70S41.2Very low37.1Very low123 Ų123146.5 Ų146.586%0.8681%0.806SS**  trans-164.8148.4151.2-820000110.9
71N41.5Very low37.4Very low143 Ų143148.5 Ų148.577%0.76581%0.813SS**  trans-97.2172.8-169.8-59.2-48.6000113.8
72D38.1Very low37.6Very low150 Ų150150.1 Ų150.180%0.80282%0.816SS**  trans56.6111.8150.6-57.3-42.1000120.3
73V41.1Very low37.8Very low144 Ų144152.9 Ų152.987%0.87382%0.816SS**  -161.3148.6119.3132.70000110.6G75V73-G75 PolarHBondContact O-N 3.06Å
74V40.2Very low38.2Very low145 Ų145153.6 Ų153.688%0.87982%0.815SS**  trans-69.8111.4-179.2177.10000111.2
75G36.9Very low39.1Very low66 Ų66150.1 Ų150.168%0.6881%0.813SS**  trans-124.598.8178.100000112.9V73 S77V73-G75 PolarHBondContact O-N 3.06Å; G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.07Å
76N33.4Very low39.8Very low168 Ų168149.5 Ų149.590%0.89881%0.805SS**  trans-81.985.7-174.7-163.711.3000112
77S38.8Very low40.6Very low115 Ų115150.3 Ų150.380%0.80481%0.812SS**  trans-120.3126.3177.5-79.90000113.6G75G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.07Å
78R36.1Very low41.4Very low229 Ų229147.5 Ų147.586%0.86480%0.801SS**  trans-71.7174.5164.3-67.9174.2173.4160.1-1.9110
79V41.5Very low42Very low135 Ų135146.4 Ų146.482%0.81879%0.79SS**  trans83.393.5174.3-168.30000114.3
80N38.5Very low42.5Very low157 Ų157147.2 Ų147.284%0.8479%0.786SS**  -145.9139.4105.2-136-16.6000111.6
81R42.4Very low42.8Very low227 Ų227148.4 Ų148.486%0.85778%0.779SS**PPolyproline II helixtrans-89.7127.7164.5-79.9178.9173146.3-3.1106.4R83R81-R83 PolarHBondContact O-N 3.36Å; R81-R83 VanDerWaalsContact O-N 3.07Å
82H42.1Very low43.1Very low172 Ų172150.4 Ų150.480%0.79678%0.775SS**PPolyproline II helixtrans-52.5119172.5-72.6-74.7000110.4
83R40.1Very low44.2Very low207 Ų207146.6 Ų146.678%0.78176%0.758SS**PPolyproline II helixtrans-79.8129.3161.8-78.7179.2163179.9-4.9106.5R81 N85R81-R83 PolarHBondContact O-N 3.36Å; R81-R83 VanDerWaalsContact O-N 3.07Å; R83-N85 PolarHBondContact O-N 2.82Å
84N44.4Very low44.9Very low161 Ų161147.9 Ų147.986%0.86175%0.747SS**THydrogen-bonded Turntrans-71.425.8-177.3-85.3-2.2000114.5
85N48.2Very low45.7Very low144 Ų144146.5 Ų146.577%0.7773%0.734SS**THydrogen-bonded Turntrans-121.20-171.2-71.829.4000113.7R83 P87R83-N85 PolarHBondContact O-N 2.82Å; N85-P87 WeakPolarHBondContact O-CD 3.34Å
86D52.3Low47Very low116 Ų116149.6 Ų149.662%0.6273%0.731SS**SBendtrans-68.9122.2175.4-62.3-31.6000109.5V88D86-V88 PolarHBondContact O-N 3.48Å
87P52.1Low48.3Very low123 Ų123149.6 Ų149.680%0.79972%0.718SS**  trans-70.9106.5-176.127.4-33.5000110.5N85 T89N85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-T89 PolarHBondContact O-N 3.16Å; P87-T89 VanDerWaalsContact O-N 3.17Å
88V48.7Very low49.1Very low106 Ų106151.1 Ų151.164%0.64271%0.707SS**  trans-62.5118178.3-176.70000109.7D86 F90 T93D86-V88 PolarHBondContact O-N 3.48Å; V88-F90 PolarHBondContact O-N 2.99Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.46Å
89T50.6Low50.2Low95 Ų95144.7 Ų144.758%0.58369%0.69SS**  trans-60.3120.8178.644.70000110.6P87 E91 R92P87-T89 PolarHBondContact O-N 3.16Å; P87-T89 VanDerWaalsContact O-N 3.17Å; T89-E91 PolarHBondContact O-N 3.46Å; T89-R92 WeakPolarHBondContact O-CB 3.44Å; T89-R92 PolarHBondContact O-N 3.23Å
90F44Very low51.1Low165 Ų165141.3 Ų141.372%0.72467%0.673SS**Hα-helixtrans-48.7-36.7-169.5178.7-101.6000114.3V88 R92 T93 R94V88-F90 PolarHBondContact O-N 2.99Å; F90-R92 PolarHBondContact O-N 2.86Å; F90-T93 WeakPolarHBondContact O-CB 3.37Å; F90-T93 PolarHBondContact O-N 3.01Å; F90-R94 PolarHBondContact O-N 2.9Å
91E48.5Very low51.7Low149 Ų149136.7 Ų136.770%0.69665%0.648SS**Hα-helixtrans-62.6-37.9180-163.1159.7-124.200113.3T89 R94 L95T89-E91 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 3.29Å; E91-L95 PolarHBondContact O-N 3.45Å; E91-L95 VanDerWaalsContact O-N 3.08Å
92R48Very low52.2Low184 Ų184128.7 Ų128.769%0.69463%0.625SS**Hα-helixtrans-66.4-41.3177.9-153.7175-155.5153.37.6111.1T89 F90 Q96T89-R92 WeakPolarHBondContact O-CB 3.44Å; T89-R92 PolarHBondContact O-N 3.23Å; F90-R92 PolarHBondContact O-N 2.86Å; R92-Q96 WeakPolarHBondContact O-CB 3.45Å; R92-Q96 PolarHBondContact O-N 3.31Å
93T59.7Low52.6Low71 Ų71130 Ų13044%0.43662%0.623SS.*Hα-helixtrans-64-39.4174.4-48.50000111.5V88 F90 Q96 W97V88-T93 WeakPolarHBondContact CG1-OG1 3.46Å; F90-T93 WeakPolarHBondContact O-CB 3.37Å; F90-T93 PolarHBondContact O-N 3.01Å; T93-Q96 PolarHBondContact O-N 2.89Å; T93-W97 VanDerWaalsContact O-CB 3.29Å; T93-W97 WeakPolarHBondContact O-CB 3.32Å; T93-W97 PolarHBondContact O-N 3.33Å
94R55.7Low53Low170 Ų170128.2 Ų128.264%0.64262%0.616SS**Hα-helixtrans-65.8-44.3179.4-166.8176.8-170.1166.74.3112.4F90 E91 W97 Y98F90-R94 PolarHBondContact O-N 2.9Å; E91-R94 PolarHBondContact O-N 3.29Å; R94-W97 PolarHBondContact O-N 3.39Å; R94-Y98 PolarHBondContact O-N 2.96Å
95L57.5Low53.2Low116 Ų116124.9 Ų124.961%0.60761%0.605SS**Hα-helixtrans-65-46.2174.7-75.4168.5000111.6E91 W97 Y98 D99E91-L95 PolarHBondContact O-N 3.45Å; E91-L95 VanDerWaalsContact O-N 3.08Å; L95-W97 VanDerWaalsContact C-N 3.28Å; L95-W97 PolarHBondContact O-N 2.92Å; L95-Y98 WeakPolarHBondContact O-CA 3.41Å; L95-Y98 WeakPolarHBondContact O-CB 3.29Å; L95-Y98 PolarHBondContact O-N 3.48Å; L95-D99 PolarHBondContact O-N 3.43Å
96Q64.6Low53.1Low131 Ų131127.1 Ų127.161%0.61261%0.608SS**Hα-helixtrans-63.1-32.7178.3-168.4172.513.600112.9R92 T93 S100R92-Q96 WeakPolarHBondContact O-CB 3.45Å; R92-Q96 PolarHBondContact O-N 3.31Å; T93-Q96 PolarHBondContact O-N 2.89Å; Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.5Å; Q96-S100 PolarHBondContact O-OG 3.08Å
97W60.1Low53Low168 Ų168126.9 Ų126.964%0.63661%0.606SS**Hα-helixtrans-68.6-40171.7-169.792.2000111.9T93 R94 L95 S100 N101T93-W97 VanDerWaalsContact O-CB 3.29Å; T93-W97 WeakPolarHBondContact O-CB 3.32Å; T93-W97 PolarHBondContact O-N 3.33Å; R94-W97 PolarHBondContact O-N 3.39Å; L95-W97 VanDerWaalsContact C-N 3.28Å; L95-W97 PolarHBondContact O-N 2.92Å; W97-S100 PolarHBondContact O-N 3.08Å; W97-N101 VanDerWaalsContact CD2-ND2 3.26Å; W97-N101 VanDerWaalsContact CE3-ND2 3.29Å; W97-N101 VanDerWaalsContact CH2-ND2 3.3Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.45Å; W97-N101 VanDerWaalsContact CZ2-ND2 3.26Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.4Å; W97-N101 VanDerWaalsContact CZ3-ND2 3.3Å; W97-N101 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N101 WeakPolarHBondContact O-CB 3.41Å; W97-N101 PolarHBondContact O-N 3.46Å; W97-N101 VanDerWaalsContact O-N 3.1Å; W97-N101 PolarHBondContact O-ND2 3.42Å
98Y55.2Low52.8Low147 Ų147126.5 Ų126.558%0.57660%0.604SS**Hα-helixtrans-62.6-52.1174-120.7-92000111.6R94 L95 S100 N101 T102R94-Y98 PolarHBondContact O-N 2.96Å; L95-Y98 WeakPolarHBondContact O-CA 3.41Å; L95-Y98 WeakPolarHBondContact O-CB 3.29Å; L95-Y98 PolarHBondContact O-N 3.48Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 3.42Å; Y98-N101 CarbonylContact O-C 3.6Å; Y98-N101 PolarHBondContact O-N 3.42Å; Y98-T102 HydrophobicContact CD1-CG2 4.16Å; Y98-T102 WeakPolarHBondContact O-CG2 3.46Å; Y98-T102 PolarHBondContact O-N 3.01Å; Y98-T102 PolarHBondContact O-OG1 2.88Å
99D60.9Low53Low95 Ų95129.3 Ų129.351%0.50861%0.61SS.*Hα-helixtrans-58.4-38.1176.6-85.6-30.5000113L95 N101 T102 R103L95-D99 PolarHBondContact O-N 3.43Å; D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 3.46Å; D99-T102 WeakPolarHBondContact CA-OG1 3.42Å; D99-T102 PolarHBondContact O-OG1 3.15Å; D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.3Å; D99-R103 WeakPolarHBondContact O-CG 3.48Å; D99-R103 PolarHBondContact O-N 2.98Å; D99-R103 VanDerWaalsContact O-N 3.08Å
100S59.5Low52.9Low64 Ų64129.8 Ų129.845%0.44862%0.615SS.*Hα-helixtrans-66.7-30.6176.2-62.70000112.4Q96 W97 Y98 R104Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.5Å; Q96-S100 PolarHBondContact O-OG 3.08Å; W97-S100 PolarHBondContact O-N 3.08Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 3.42Å; S100-R104 WeakPolarHBondContact O-CD 3.5Å; S100-R104 VanDerWaalsContact O-CG 3.27Å; S100-R104 WeakPolarHBondContact O-CG 3.21Å; S100-R104 PolarHBondContact O-N 3.45Å
101N50.6Low53.1Low59 Ų59128.4 Ų128.432%0.31662%0.62SS.*Hα-helixtrans-88.7-37.5-179.9-75.3-25.2000112.9W97 Y98 D99 R104 S105W97-N101 VanDerWaalsContact CD2-ND2 3.26Å; W97-N101 VanDerWaalsContact CE3-ND2 3.29Å; W97-N101 VanDerWaalsContact CH2-ND2 3.3Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.45Å; W97-N101 VanDerWaalsContact CZ2-ND2 3.26Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.4Å; W97-N101 VanDerWaalsContact CZ3-ND2 3.3Å; W97-N101 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N101 WeakPolarHBondContact O-CB 3.41Å; W97-N101 PolarHBondContact O-N 3.46Å; W97-N101 VanDerWaalsContact O-N 3.1Å; W97-N101 PolarHBondContact O-ND2 3.42Å; Y98-N101 CarbonylContact O-C 3.6Å; Y98-N101 PolarHBondContact O-N 3.42Å; D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 3.46Å; N101-R104 WeakPolarHBondContact O-CA 3.39Å; N101-R104 WeakPolarHBondContact O-CB 3.36Å; N101-R104 PolarHBondContact O-N 2.96Å; N101-R104 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 VanDerWaalsContact O-N 3.07Å; N101-S105 PolarHBondContact O-OG 2.97Å; N101-S105 VanDerWaalsContact O-OG 3.09Å
102T54.3Low53Low60 Ų60125.1 Ų125.137%0.36862%0.619SS.*Hα-helixtrans-67.9-37.717455.80000111.7Y98 D99 R104 S105Y98-T102 HydrophobicContact CD1-CG2 4.16Å; Y98-T102 WeakPolarHBondContact O-CG2 3.46Å; Y98-T102 PolarHBondContact O-N 3.01Å; Y98-T102 PolarHBondContact O-OG1 2.88Å; D99-T102 WeakPolarHBondContact CA-OG1 3.42Å; D99-T102 PolarHBondContact O-OG1 3.15Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.45Å; T102-S105 VanDerWaalsContact O-CB 3.27Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 3.19Å; T102-S105 VanDerWaalsContact O-N 3.14Å; T102-S105 PolarHBondContact O-OG 3.17Å
103R49.7Very low52.9Low200 Ų200127.1 Ų127.176%0.75563%0.626SS**Hα-helixtrans-67.7-27.6170.3-69.7-179.5-176.8-118.72.3112.7D99 S105D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.3Å; D99-R103 WeakPolarHBondContact O-CG 3.48Å; D99-R103 PolarHBondContact O-N 2.98Å; D99-R103 VanDerWaalsContact O-N 3.08Å; R103-S105 VanDerWaalsContact C-N 3.33Å
104R47.9Very low52Low169 Ų169129 Ų12964%0.63864%0.639SS**Hα-helixtrans-70.7-24.9170.2-86.1172.6164.8-89.8-2.2113.2S100 N101 T102 F106 L107S100-R104 WeakPolarHBondContact O-CD 3.5Å; S100-R104 VanDerWaalsContact O-CG 3.27Å; S100-R104 WeakPolarHBondContact O-CG 3.21Å; S100-R104 PolarHBondContact O-N 3.45Å; N101-R104 WeakPolarHBondContact O-CA 3.39Å; N101-R104 WeakPolarHBondContact O-CB 3.36Å; N101-R104 PolarHBondContact O-N 2.96Å; N101-R104 VanDerWaalsContact O-N 3.15Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.45Å; R104-F106 PolarHBondContact O-N 3.45Å; R104-L107 HydrophobicContact CG-CD1 4.19Å; R104-L107 PolarHBondContact O-N 3.38Å; R104-L107 VanDerWaalsContact O-N 3.15Å
105S49.2Very low51.4Low91 Ų91129.7 Ų129.764%0.63665%0.647SS**THydrogen-bonded Turntrans-64.1-18.5178.9-51.80000114.3N101 T102 R103N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 VanDerWaalsContact O-N 3.07Å; N101-S105 PolarHBondContact O-OG 2.97Å; N101-S105 VanDerWaalsContact O-OG 3.09Å; T102-S105 VanDerWaalsContact O-CB 3.27Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 3.19Å; T102-S105 VanDerWaalsContact O-N 3.14Å; T102-S105 PolarHBondContact O-OG 3.17Å; R103-S105 VanDerWaalsContact C-N 3.33Å
106F46.7Very low51Low190 Ų190129.4 Ų129.483%0.83365%0.65SS**THydrogen-bonded Turntrans-101.45.6177.1-71.6-81.4000114R104R104-F106 PolarHBondContact O-N 3.45Å
107L49.9Very low50.4Low112 Ų112128.9 Ų128.959%0.58665%0.65SS**SBendtrans-75.8136.5163.5-65.5173.1000108.4R104 E109R104-L107 HydrophobicContact CG-CD1 4.19Å; R104-L107 PolarHBondContact O-N 3.38Å; R104-L107 VanDerWaalsContact O-N 3.15Å; L107-E109 PolarHBondContact O-N 3.11Å
108P48.8Very low50.4Low115 Ų115122.5 Ų122.575%0.74764%0.637SS**PPolyproline II helixtrans-57.1140.8171.625.8-33.9000109.3
109E51.5Low51Low165 Ų165120.1 Ų120.177%0.77163%0.63SS**PPolyproline II helixtrans-50.7126.9-176.7-170.6-173159.300109.8L107 T111L107-E109 PolarHBondContact O-N 3.11Å; E109-T111 PolarHBondContact O-N 2.89Å
110P48.1Very low51.5Low105 Ų105115.8 Ų115.868%0.68261%0.607SS**  trans-61.3108.4-173.723.8-34000109.5A112P110-A112 PolarHBondContact O-N 3.46Å; P110-A112 VanDerWaalsContact O-N 3.09Å
111T48.6Very low52.4Low135 Ų135118.3 Ų118.383%0.82862%0.615SS**THydrogen-bonded Turntrans-33.8110.6-16744.90000111.6E109 R113E109-T111 PolarHBondContact O-N 2.89Å; T111-R113 PolarHBondContact O-N 3.24Å
112A45.8Very low53.7Low81 Ų81118.4 Ų118.467%0.66962%0.624SS**THydrogen-bonded Turntrans-25.3112.2-156.900000113.6P110P110-A112 PolarHBondContact O-N 3.46Å; P110-A112 VanDerWaalsContact O-N 3.09Å
113R46.9Very low54.9Low226 Ų226119.9 Ų119.985%0.85363%0.63SS**  trans-35.6116.9177.1-81.9-176.4175.8-116.64.8108.6T111 K115T111-R113 PolarHBondContact O-N 3.24Å; R113-K115 PolarHBondContact O-N 2.98Å
114P41.1Very low56.3Low110 Ų110112.6 Ų112.671%0.71460%0.604SS**  trans-54.6118.5-166.919.8-32.7000108.3V116P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 2.98Å
115K43.4Very low57.9Low185 Ų185105 Ų10580%0.80458%0.576SS**  trans-52.8109.2-171.4-77.3-176.2177.6178.60108.1R113 L117R113-K115 PolarHBondContact O-N 2.98Å; K115-L117 HydrophobicContact CB-CD1 4.24Å; K115-L117 HydrophobicContact CB-CG 4.31Å; K115-L117 HydrophobicContact CD-CD1 4.14Å; K115-L117 PolarHBondContact O-N 2.7Å
116V48.5Very low59.3Low110 Ų110107.1 Ų107.167%0.66757%0.574SS**  trans-78.942.7-177-162.80000110.4P114 G118P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 2.98Å; V116-G118 PolarHBondContact O-N 2.92Å
117L51.6Low60.9Low119 Ų119103.9 Ų103.962%0.62356%0.56SS**  trans-76.931.9168-65.6172.6000111.1K115 F119K115-L117 HydrophobicContact CB-CD1 4.24Å; K115-L117 HydrophobicContact CB-CG 4.31Å; K115-L117 HydrophobicContact CD-CD1 4.14Å; K115-L117 PolarHBondContact O-N 2.7Å; L117-F119 HydrophobicContact CD2-CZ 4.3Å; L117-F119 PolarHBondContact O-N 3.42Å
118G60.1Low62.2Low34 Ų3498.6 Ų98.635%0.35153%0.532SS..  trans-83.685.8163.100000108.3V116 T242 R252V116-G118 PolarHBondContact O-N 2.92Å; G118-T242 WeakPolarHBondContact O-CG2 3.06Å; G118-R252 VanDerWaalsContact O-CZ 3.24Å; G118-R252 PolarHBondContact O-NH1 2.79Å; G118-R252 PolarHBondContact O-NH2 3.29Å
119F67.6Low63.6Low97 Ų9793.3 Ų93.343%0.42550%0.497SS..  trans-57.1158.4165.4-53.7-66.2000110L117 N121 K239 Q240L117-F119 HydrophobicContact CD2-CZ 4.3Å; L117-F119 PolarHBondContact O-N 3.42Å; F119-N121 PolarHBondContact O-N 2.9Å; F119-K239 WeakPolarHBondContact CB-O 3.48Å; F119-K239 WeakPolarHBondContact CD1-O 3.5Å; F119-K239 WeakPolarHBondContact CG-O 3.41Å; F119-Q240 VanDerWaalsContact CE1-O 3.3Å; F119-Q240 WeakPolarHBondContact CE1-O 3.46Å
120M71.2Confident65Low5 Ų586.9 Ų86.93%0.02547%0.47CS..  trans-76.4110.9-178.2-68.9-169.670.700110.7E124 L125 L128 L238 T242 V251 L255M120-E124 HydrophobicContact CB-CB 4.18Å; M120-E124 HydrophobicContact CE-CB 3.65Å; M120-L125 HydrophobicContact CB-CD2 3.85Å; M120-L125 HydrophobicContact CB-CG 4.18Å; M120-L128 HydrophobicContact CE-CD1 3.97Å; M120-L128 HydrophobicContact CE-CG 4.49Å; M120-L238 HydrophobicContact CB-CB 4.26Å; M120-L238 PolarHBondContact N-O 3.38Å; M120-L238 VanDerWaalsContact N-O 3.13Å; M120-L238 HydrophobicContact SD-CB 4.29Å; M120-L238 HydrophobicContact SD-CD1 4.06Å; M120-L238 HydrophobicContact SD-CD2 4Å; M120-L238 HydrophobicContact SD-CG 4.35Å; M120-T242 HydrophobicContact CG-CG2 4.09Å; M120-V251 HydrophobicContact CE-CG1 4.02Å; M120-V251 HydrophobicContact SD-CB 4.09Å; M120-V251 HydrophobicContact SD-CG1 3.6Å; M120-V251 VanDerWaalsContact SD-CG1 3.6Å; M120-L255 HydrophobicContact CE-CD1 3.88Å
121N78Confident66.4Low116 Ų11682 Ų8262%0.6244%0.438SS*.  trans-61.1158.9173.5-70.8-35.3000111.2F119 D123 E124 L125F119-N121 PolarHBondContact O-N 2.9Å; N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 VanDerWaalsContact O-N 3.08Å; N121-E124 HydrophobicContact CB-CG 4.48Å; N121-E124 WeakPolarHBondContact O-CA 3.24Å; N121-E124 WeakPolarHBondContact O-CB 3.42Å; N121-E124 PolarHBondContact O-N 3.27Å; N121-L125 PolarHBondContact O-N 2.84Å
122A79.1Confident67.8Low62 Ų6277 Ų7751%0.51241%0.406SS..Hα-helixtrans-51.7-37.3-179.900000113L125 K126A122-L125 WeakPolarHBondContact O-CB 3.32Å; A122-L125 PolarHBondContact O-N 2.7Å; A122-K126 WeakPolarHBondContact O-CG 3.47Å; A122-K126 PolarHBondContact O-N 3.46Å
123D79.8Confident69.3Low90 Ų9073.3 Ų73.348%0.48138%0.375SS..Hα-helixtrans-81.1-13.5177.7-54.2-62.1000114.5N121 K126 K127N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 VanDerWaalsContact O-N 3.08Å; D123-K126 WeakPolarHBondContact OD1-CD 3.44Å; D123-K126 WeakPolarHBondContact OD1-CE 3.47Å; D123-K126 IonicContact OD1-NZ 3.12Å; D123-K126 PolarHBondContact OD1-NZ 3.23Å; D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 WeakPolarHBondContact O-CE 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å
124E79.1Confident70.6Confident47 Ų4767.1 Ų67.122%0.2235%0.351CS..Hα-helixtrans-77.6-37.8162.3-60.1-151.7125.400110.8M120 N121 K127 R252M120-E124 HydrophobicContact CB-CB 4.18Å; M120-E124 HydrophobicContact CE-CB 3.65Å; N121-E124 HydrophobicContact CB-CG 4.48Å; N121-E124 WeakPolarHBondContact O-CA 3.24Å; N121-E124 WeakPolarHBondContact O-CB 3.42Å; N121-E124 PolarHBondContact O-N 3.27Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 2.94Å; E124-R252 IonicContact OE2-NH1 3.67Å; E124-R252 PolarHBondContact OE2-NH1 2.9Å
125L80.3Confident71.8Confident11 Ų1164.9 Ų64.96%0.05833%0.333CS..Hα-helixtrans-66.1-39.8176.7-61.4172.9000112.1M120 N121 A122 K127 L128 R221 D235 L238M120-L125 HydrophobicContact CB-CD2 3.85Å; M120-L125 HydrophobicContact CB-CG 4.18Å; N121-L125 PolarHBondContact O-N 2.84Å; A122-L125 WeakPolarHBondContact O-CB 3.32Å; A122-L125 PolarHBondContact O-N 2.7Å; L125-K127 PolarHBondContact O-N 2.74Å; L125-K127 VanDerWaalsContact O-N 3.16Å; L125-L128 HydrophobicContact CD2-CD1 4.34Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L125-R221 PolarHBondContact O-NH1 3.43Å; L125-D235 HydrophobicContact CD1-CB 4.29Å; L125-L238 HydrophobicContact CD2-CB 3.63Å; L125-L238 HydrophobicContact CD2-CD1 3.5Å; L125-L238 VanDerWaalsContact CD2-CD1 3.5Å; L125-L238 HydrophobicContact CD2-CG 4.23Å
126K79.7Confident72.8Confident134 Ų13464.3 Ų64.358%0.58333%0.33SS*.THydrogen-bonded Turntrans-58.8-23.1173.8-71.2170.5-162.6167.70114A122 D123A122-K126 WeakPolarHBondContact O-CG 3.47Å; A122-K126 PolarHBondContact O-N 3.46Å; D123-K126 WeakPolarHBondContact OD1-CD 3.44Å; D123-K126 WeakPolarHBondContact OD1-CE 3.47Å; D123-K126 IonicContact OD1-NZ 3.12Å; D123-K126 PolarHBondContact OD1-NZ 3.23Å
127K79.8Confident73Confident123 Ų12367.7 Ų67.754%0.53534%0.336SS..THydrogen-bonded Turntrans-81.7-13.7179.1-64.9164.2-1701610113.5D123 E124 L125D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 WeakPolarHBondContact O-CE 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 2.94Å; L125-K127 PolarHBondContact O-N 2.74Å; L125-K127 VanDerWaalsContact O-N 3.16Å
128L77.9Confident72.9Confident1 Ų167.6 Ų67.61%0.00534%0.341CS..SBendtrans-80.9128.1177.2-72.6165.7000110.1M120 L125 R221 L223 L238 V251 L255M120-L128 HydrophobicContact CE-CD1 3.97Å; M120-L128 HydrophobicContact CE-CG 4.49Å; L125-L128 HydrophobicContact CD2-CD1 4.34Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L128-R221 HydrophobicContact CB-CG 3.85Å; L128-R221 PolarHBondContact O-NH1 3.45Å; L128-L223 HydrophobicContact CD1-CD2 4.2Å; L128-L223 HydrophobicContact CD2-CD2 4.4Å; L128-L238 HydrophobicContact CD1-CD1 3.6Å; L128-V251 HydrophobicContact CD1-CG1 4.14Å; L128-V251 HydrophobicContact CD2-CG1 3.93Å; L128-L255 HydrophobicContact CD2-CD1 3.93Å; L128-L255 HydrophobicContact CD2-CD2 3.96Å; L128-L255 HydrophobicContact CD2-CG 4.07Å; L128-L255 HydrophobicContact CG-CD1 4.29Å
129P78.1Confident72Confident3 Ų370.7 Ų70.72%0.01936%0.356CS..  trans-61153.3-179.720.1-27.1000112.2V191 R221 H222P129-V191 HydrophobicContact CG-CB 4.03Å; P129-V191 HydrophobicContact CG-CG2 3.72Å; P129-R221 WeakPolarHBondContact O-CG 3.38Å; P129-H222 HydrophobicContact CG-CB 4.07Å; P129-H222 PolarHBondContact O-N 2.96Å
130T79.9Confident70.7Confident31 Ų3171.4 Ų71.419%0.1937%0.374CS..EExtended strand (participates in β ladder)trans-125.5166-18050.90000110.4S185 L220 R221 M231T130-S185 WeakPolarHBondContact O-CB 3.13Å; T130-S185 PolarHBondContact O-OG 2.91Å; T130-L220 CarbonylContact C-O 3.58Å; T130-L220 WeakPolarHBondContact CA-O 3.41Å; T130-L220 VanDerWaalsContact CB-O 3.27Å; T130-L220 WeakPolarHBondContact CB-O 3.38Å; T130-R221 HydrophobicContact CG2-CB 4.24Å; T130-R221 HydrophobicContact CG2-CG 4.36Å; T130-M231 HydrophobicContact CG2-CE 3.92Å; T130-M231 HydrophobicContact CG2-CG 4.11Å; T130-M231 HydrophobicContact CG2-SD 3.8Å
131S77.6Confident69.2Low2 Ų276.5 Ų76.51%0.01441%0.405CS..EExtended strand (participates in β ladder)trans-148.7166.9169.466.20000109.1L220 H222S131-L220 PolarHBondContact N-O 3.2Å; S131-L220 PolarHBondContact O-N 2.87Å; S131-H222 PolarHBondContact OG-NE2 2.98Å
132I79.1Confident67.5Low30 Ų3076.3 Ų76.315%0.15441%0.413CS..EExtended strand (participates in β ladder)trans-108.5126.1168.4-77.1167.7000107.8R134 E182 E184 K217 D218 R219I132-R134 HydrophobicContact CG2-CG 4.25Å; I132-E182 PolarHBondContact N-O 3.33Å; I132-E182 PolarHBondContact O-N 3.39Å; I132-E182 VanDerWaalsContact O-N 3.07Å; I132-E184 HydrophobicContact CB-CB 4.42Å; I132-E184 HydrophobicContact CB-CG 4.24Å; I132-E184 HydrophobicContact CD1-CB 4.02Å; I132-E184 HydrophobicContact CD1-CG 4.25Å; I132-E184 WeakPolarHBondContact CD1-OE2 3.16Å; I132-E184 HydrophobicContact CG1-CB 4.39Å; I132-K217 HydrophobicContact CG2-CB 4.49Å; I132-D218 WeakPolarHBondContact CA-O 3.35Å; I132-R219 HydrophobicContact CD1-CG 4.24Å; I132-R219 HydrophobicContact CG1-CG 3.87Å
133Y76.9Confident65.8Low4 Ų480.3 Ų80.32%0.01643%0.426CS..EExtended strand (participates in β ladder)trans-71.4130.6175.9-175.8-94.4000108.8I135 H179 L181 I196 P205 Y214 Q215 K217 D218 L220Y133-I135 HydrophobicContact CD1-CG1 4.12Å; Y133-I135 HydrophobicContact CE1-CD1 4.03Å; Y133-I135 HydrophobicContact CE1-CG1 3.41Å; Y133-I135 VanDerWaalsContact CE1-CG1 3.41Å; Y133-H179 HydrophobicContact CE2-CB 4.26Å; Y133-H179 WeakPolarHBondContact OH-CB 3.19Å; Y133-L181 HydrophobicContact CD2-CD2 3.52Å; Y133-L181 HydrophobicContact CE2-CD2 4.35Å; Y133-L181 HydrophobicContact CG-CD2 4.31Å; Y133-I196 HydrophobicContact CD2-CD1 4.4Å; Y133-P205 HydrophobicContact CE2-CG 3.98Å; Y133-P205 WeakPolarHBondContact OH-CG 3.35Å; Y133-Y214 HydrophobicContact CD2-CD2 4.39Å; Y133-Y214 HydrophobicContact CD2-CG 4.2Å; Y133-Y214 WeakPolarHBondContact CE1-O 3.43Å; Y133-Y214 HydrophobicContact CE2-CD2 4.28Å; Y133-Y214 HydrophobicContact CE2-CG 4.36Å; Y133-Y214 HydrophobicContact CG-CG 4.47Å; Y133-Q215 VanDerWaalsContact CD1-O 3.3Å; Y133-Q215 WeakPolarHBondContact CD1-O 3.31Å; Y133-K217 WeakPolarHBondContact O-CA 3.34Å; Y133-K217 PolarHBondContact O-N 2.95Å; Y133-D218 PolarHBondContact N-O 2.93Å; Y133-L220 HydrophobicContact CD2-CD1 4.14Å; Y133-L220 HydrophobicContact CG-CD1 4.5Å
134R73.4Confident64.1Low96 Ų9684.1 Ų84.136%0.36245%0.446SS..EExtended strand (participates in β ladder)trans-131.5123.9179.2-69.6-171.3-178-173.9-0.2110.7I132 K136 E182 E184 D216I132-R134 HydrophobicContact CG2-CG 4.25Å; R134-K136 PolarHBondContact O-N 3.44Å; R134-K136 VanDerWaalsContact O-N 3.16Å; R134-E182 VanDerWaalsContact CD-OE2 3.26Å; R134-E182 WeakPolarHBondContact CD-OE2 3.14Å; R134-E182 HydrophobicContact CG-CB 4.3Å; R134-E182 IonicContact CZ-OE1 3.39Å; R134-E182 IonicContact CZ-OE2 3.24Å; R134-E182 VanDerWaalsContact CZ-OE2 3.31Å; R134-E182 IonicContact NE-OE1 2.78Å; R134-E182 IonicContact NE-OE2 2.76Å; R134-E182 IonicContact NH1-OE1 3.23Å; R134-E182 PolarHBondContact NH1-OE1 3.33Å; R134-E182 IonicContact NH1-OE2 3.92Å; R134-E182 PolarHBondContact NH1-OE2 2.99Å; R134-E182 IonicContact NH2-OE1 3.44Å; R134-E182 PolarHBondContact NH2-OE1 3.01Å; R134-E184 IonicContact CZ-OE1 3.41Å; R134-E184 IonicContact NE-OE1 2.68Å; R134-E184 PolarHBondContact NE-OE1 3.37Å; R134-E184 IonicContact NH2-OE1 3.72Å; R134-E184 PolarHBondContact NH2-OE1 2.92Å; R134-D216 VanDerWaalsContact CA-OD1 3.28Å; R134-D216 WeakPolarHBondContact CA-OD1 3.46Å
135I67.7Low62.4Low63 Ų6386.5 Ų86.532%0.32347%0.474SS..  trans-83.995.8179.1-58.6177000108.2Y133 K137 D216Y133-I135 HydrophobicContact CD1-CG1 4.12Å; Y133-I135 HydrophobicContact CE1-CD1 4.03Å; Y133-I135 HydrophobicContact CE1-CG1 3.41Å; Y133-I135 VanDerWaalsContact CE1-CG1 3.41Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 HydrophobicContact CG2-CG 4.41Å; I135-K137 PolarHBondContact O-N 3.27Å; I135-D216 HydrophobicContact CD1-CB 4.3Å; I135-D216 HydrophobicContact CG1-CB 4.25Å; I135-D216 PolarHBondContact N-OD1 3.36Å
136K63.1Low60.3Low173 Ų17395.8 Ų95.875%0.75251%0.514SS*.  trans-6792.4165.9-170.5175.2-175.8178.80108.9R134 T138R134-K136 PolarHBondContact O-N 3.44Å; R134-K136 VanDerWaalsContact O-N 3.16Å; K136-T138 PolarHBondContact O-N 3.48Å
137K52.7Low58.5Low180 Ų18095.8 Ų95.878%0.78353%0.526SS*.  trans-58.8117.2169.6-67.9-174.7178.2-175.50108.5I135 S139I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 HydrophobicContact CG2-CG 4.41Å; I135-K137 PolarHBondContact O-N 3.27Å; K137-S139 PolarHBondContact O-N 3.01Å
138T49.1Very low56.8Low118 Ų11894.7 Ų94.772%0.72453%0.534SS*.  trans-73103.8160.946.40000107K136 S140K136-T138 PolarHBondContact O-N 3.48Å; T138-S140 VanDerWaalsContact C-N 3.3Å; T138-S140 PolarHBondContact O-N 3.33Å
139S41Very low55Low98 Ų98100.8 Ų100.869%0.68557%0.573SS**  trans-70.586.817649.90000109.9K137 T141K137-S139 PolarHBondContact O-N 3.01Å; S139-T141 PolarHBondContact O-N 2.86Å
140S41.2Very low53.1Low113 Ų113107.9 Ų107.979%0.7961%0.611SS**  trans-75.366.9167.156.50000109.8T138T138-S140 VanDerWaalsContact C-N 3.3Å; T138-S140 PolarHBondContact O-N 3.33Å
141T39.9Very low51.3Low111 Ų111111.9 Ų111.968%0.68164%0.64SS**  trans-97.187.4168.446.80000107.7S139 D143S139-T141 PolarHBondContact O-N 2.86Å; T141-D143 PolarHBondContact O-N 2.65Å
142S41.4Very low49.6Very low112 Ų112117.5 Ų117.578%0.78368%0.675SS**  trans-91.882.4168.553.60000108.6
143D44.8Very low47.6Very low146 Ų146121.9 Ų121.978%0.78170%0.703SS**  trans-140.6135.3171-71.5-69.2000107.9T141T141-D143 PolarHBondContact O-N 2.65Å
144D42.4Very low45.8Very low170 Ų170131.1 Ų131.191%0.90974%0.743SS**  trans-83.6129-164.1-57.6-88.6000114.3
145A44.4Very low44Very low98 Ų98131.2 Ų131.281%0.8176%0.764SS**  trans-151.8117163.400000111.5
146F36Very low42.5Very low205 Ų205133.2 Ų133.290%0.89978%0.784SS**  trans-105.6100.3-173.9-166.7-80.7000110.6
147T41.2Very low41.3Very low134 Ų134132.3 Ų132.382%0.82279%0.787SS**  trans-141.4134.5174.6-40.20000111.7
148S44.6Very low40.6Very low101 Ų101130.5 Ų130.571%0.70679%0.792SS**  trans-74.7156-170.9-55.40000114.8
149P41.5Very low40Very low129 Ų129130.5 Ų130.584%0.83879%0.794SS**  trans-92.6137.5-179.935.4-33.3000113.8
150D37.9Very low39.5Very low151 Ų151133.5 Ų133.581%0.80780%0.802SS**  trans-158.4178.5156.8-159-1.7000110
151S42Very low39.1Very low115 Ų115136.1 Ų136.180%0.80481%0.805SS**  trans9388.5-178.5-53.20000115.7
152T41.1Very low38.9Very low120 Ų120136.6 Ų136.674%0.73681%0.808SS**  trans-75.1154.6173.2-77.50000113.3
153T38.2Very low38.3Very low123 Ų123136.3 Ų136.376%0.75580%0.803SS**  trans68.4156175.553.70000116.9
154K38.9Very low37.7Very low198 Ų198136.1 Ų136.186%0.86181%0.807SS**  cis-145.1162.314-138.4156.9-173.1172.60111.1
155A34.3Very low37.3Very low97 Ų97134 Ų13480%0.80280%0.795SS**  trans-92.9151-168.400000115.4
156S37.5Very low36.8Very low105 Ų105136.2 Ų136.273%0.73479%0.794SS**  trans-164.7129.1149.944.40000114.3
157N37.6Very low36.6Very low154 Ų154132.8 Ų132.882%0.82478%0.78SS**  trans56.499.5147.9-55.7-19.5000121.3
158T37.7Very low36.3Very low142 Ų142133.6 Ų133.687%0.87178%0.779SS**  trans-160.2154.6136.58.10000109.5
159P37.5Very low36.1Very low119 Ų119137.7 Ų137.777%0.77379%0.788SS**  trans-84.3146.2-162.132-35.2000115.1
160N29.7Very low35.9Very low161 Ų161138.3 Ų138.386%0.86178%0.784SS**  trans-54.4136169.5-83.9-62.4000113.2
161I32.8Very low35.8Very low167 Ų167138.5 Ų138.586%0.85679%0.785SS**  trans-144.7134.7140.1-94.7130.6000109.1
162V34.5Very low35.6Very low122 Ų122141.4 Ų141.474%0.73979%0.788SS**  trans-67.1138.8-161.1-144.30000113.9V164V162-V164 PolarHBondContact O-N 2.87Å
163P29.5Very low35.6Very low105 Ų105142.1 Ų142.168%0.68279%0.792SS**  trans-73.2119.7162.230.3-32.5000110L165P163-L165 PolarHBondContact O-N 3.25Å; P163-L165 VanDerWaalsContact O-N 3.13Å
164V32.8Very low35.9Very low143 Ų143141.2 Ų141.287%0.86779%0.788SS**  trans-82.588.9168.7-178.80000108.4V162 N166V162-V164 PolarHBondContact O-N 2.87Å; V164-N166 PolarHBondContact O-N 3.09Å
165L34Very low35.9Very low125 Ų125136 Ų13665%0.65478%0.777SS**  trans-60.8130.3167.9-77.7167.2000110.1P163 E167P163-L165 PolarHBondContact O-N 3.25Å; P163-L165 VanDerWaalsContact O-N 3.13Å; L165-E167 HydrophobicContact CB-CG 4.21Å; L165-E167 HydrophobicContact CD1-CG 4.46Å
166N34Very low36.1Very low145 Ų145136 Ų13678%0.77578%0.777SS**  trans-108.873157.8-17598.2000107.3V164V164-N166 PolarHBondContact O-N 3.09Å
167E30.8Very low36.6Very low133 Ų133132.6 Ų132.662%0.62176%0.759SS**  trans-55.3143.4172.8-76.7158.3103.500110.8L165L165-E167 HydrophobicContact CB-CG 4.21Å; L165-E167 HydrophobicContact CD1-CG 4.46Å
168N35.5Very low37.2Very low150 Ų150129.9 Ų129.980%0.80275%0.748SS**SBendtrans121.514.5177-64.2-46000117.1
169Q40.9Very low38.1Very low188 Ų188124.9 Ų124.988%0.87971%0.714SS**  trans-136.281.1158.5-69.8-167.21.500110.9
170N36.9Very low39Very low142 Ų142126.4 Ų126.476%0.75971%0.706SS**  trans-77.1151175.5-62.8-14.7000110.7
171N36.3Very low40.3Very low154 Ų154119 Ų11982%0.82467%0.666SS**  trans54.871.7174.8-711.9000116.7
172M37.7Very low41.3Very low177 Ų177114.7 Ų114.787%0.87264%0.642SS**  trans-124.8113.9144.4-81.5-75.510600108.7
173T41.6Very low42.2Very low134 Ų134112.3 Ų112.382%0.82263%0.629SS**  trans-61.9136.6175.5-25.30000109.4S175T173-S175 PolarHBondContact O-N 3.02Å
174P42.6Very low43.3Very low104 Ų104111.6 Ų111.668%0.67562%0.617SS**  trans-62.3112.3179.2-22.433.6000110.9
175S39.7Very low44.2Very low89 Ų89105.9 Ų105.962%0.62258%0.583SS**  trans-62.1139.8172-172.60000109.8T173 G177 T178T173-S175 PolarHBondContact O-N 3.02Å; S175-G177 PolarHBondContact O-N 3.13Å; S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 2.88Å
176A39.6Very low45Very low97 Ų97110.4 Ų110.480%0.80260%0.598SS**THydrogen-bonded Turntrans-55.6116.6175.600000109.8
177G47.3Very low45.7Very low34 Ų34106.2 Ų106.235%0.35158%0.577SS.*THydrogen-bonded Turntrans122.2-7.5-175.100000115.9S175 H179S175-G177 PolarHBondContact O-N 3.13Å; G177-H179 PolarHBondContact O-CD2 3.16Å; G177-H179 VanDerWaalsContact O-CD2 3.29Å; G177-H179 PolarHBondContact O-N 3.43Å; G177-H179 VanDerWaalsContact O-N 3.11Å
178T50.4Low46.7Very low97 Ų97104.9 Ų104.960%0.59558%0.579SS**  trans-77.894.1175.259.60000112.4S175S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 2.88Å
179H56.4Low47.6Very low36 Ų36103 Ų10317%0.16757%0.573CS.*  trans-81145.8171-57.8-80.2000111.6Y133 G177 P205Y133-H179 HydrophobicContact CE2-CB 4.26Å; Y133-H179 WeakPolarHBondContact OH-CB 3.19Å; G177-H179 PolarHBondContact O-CD2 3.16Å; G177-H179 VanDerWaalsContact O-CD2 3.29Å; G177-H179 PolarHBondContact O-N 3.43Å; G177-H179 VanDerWaalsContact O-N 3.11Å; H179-P205 HydrophobicContact CB-CG 4.46Å
180Y55.7Low48.4Very low152 Ų15296 Ų9660%0.59654%0.541SS*.EExtended strand (participates in β ladder)trans-114.5153.8-174.4-165.3-102.7000112.5
181L57.4Low49.6Very low4 Ų489.7 Ų89.72%0.02151%0.508CS..EExtended strand (participates in β ladder)trans-109124.9177.6-67.9-177.3000110.3Y133 P183 I193 I196 L220 H222Y133-L181 HydrophobicContact CD2-CD2 3.52Å; Y133-L181 HydrophobicContact CE2-CD2 4.35Å; Y133-L181 HydrophobicContact CG-CD2 4.31Å; L181-P183 WeakPolarHBondContact O-CD 3.39Å; L181-I193 HydrophobicContact CB-CG2 4.09Å; L181-I193 HydrophobicContact CD1-CG2 3.6Å; L181-I193 HydrophobicContact CG-CG2 4.48Å; L181-I196 HydrophobicContact CD1-CD1 4.11Å; L181-I196 HydrophobicContact CD1-CG1 3.76Å; L181-I196 HydrophobicContact CD2-CD1 3.91Å; L181-I196 HydrophobicContact CD2-CG1 4.11Å; L181-I196 HydrophobicContact CG-CD1 4.4Å; L181-I196 HydrophobicContact CG-CG1 4.09Å; L181-L220 HydrophobicContact CD2-CD1 3.85Å; L181-H222 VanDerWaalsContact CD1-CE1 3.41Å; L181-H222 WeakPolarHBondContact CD1-CE1 3.2Å
182E54.5Low50.7Low78 Ų7890.6 Ų90.636%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-92.9118.8173.9-153.9168126.500110.4I132 R134 E184I132-E182 PolarHBondContact N-O 3.33Å; I132-E182 PolarHBondContact O-N 3.39Å; I132-E182 VanDerWaalsContact O-N 3.07Å; R134-E182 VanDerWaalsContact CD-OE2 3.26Å; R134-E182 WeakPolarHBondContact CD-OE2 3.14Å; R134-E182 HydrophobicContact CG-CB 4.3Å; R134-E182 IonicContact CZ-OE1 3.39Å; R134-E182 IonicContact CZ-OE2 3.24Å; R134-E182 VanDerWaalsContact CZ-OE2 3.31Å; R134-E182 IonicContact NE-OE1 2.78Å; R134-E182 IonicContact NE-OE2 2.76Å; R134-E182 IonicContact NH1-OE1 3.23Å; R134-E182 PolarHBondContact NH1-OE1 3.33Å; R134-E182 IonicContact NH1-OE2 3.92Å; R134-E182 PolarHBondContact NH1-OE2 2.99Å; R134-E182 IonicContact NH2-OE1 3.44Å; R134-E182 PolarHBondContact NH2-OE1 3.01Å; E182-E184 VanDerWaalsContact C-N 3.3Å; E182-E184 PolarHBondContact O-N 3.33Å
183P52.4Low51.9Low72 Ų7284.6 Ų84.647%0.46848%0.478SS..  trans-8173.2-173.733.6-36.4000111.8L181 S185 I193L181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-S185 PolarHBondContact O-N 3.43Å; P183-I193 HydrophobicContact CB-CD1 3.81Å
184E52.2Low52.7Low90 Ų9084 Ų8442%0.42147%0.466SS..  trans-70.313175.3-65.3-170.2-13500114.3I132 R134 E182 K186I132-E184 HydrophobicContact CB-CB 4.42Å; I132-E184 HydrophobicContact CB-CG 4.24Å; I132-E184 HydrophobicContact CD1-CB 4.02Å; I132-E184 HydrophobicContact CD1-CG 4.25Å; I132-E184 WeakPolarHBondContact CD1-OE2 3.16Å; I132-E184 HydrophobicContact CG1-CB 4.39Å; R134-E184 IonicContact CZ-OE1 3.41Å; R134-E184 IonicContact NE-OE1 2.68Å; R134-E184 PolarHBondContact NE-OE1 3.37Å; R134-E184 IonicContact NH2-OE1 3.72Å; R134-E184 PolarHBondContact NH2-OE1 2.92Å; E182-E184 VanDerWaalsContact C-N 3.3Å; E182-E184 PolarHBondContact O-N 3.33Å; E184-K186 PolarHBondContact O-N 2.65Å
185S51.6Low53.6Low23 Ų2382.7 Ų82.716%0.16146%0.457CS..  trans-78.7118.8-179.655.90000113.5T130 P183 T187T130-S185 WeakPolarHBondContact O-CB 3.13Å; T130-S185 PolarHBondContact O-OG 2.91Å; P183-S185 PolarHBondContact O-N 3.43Å; S185-T187 PolarHBondContact O-N 3.03Å
186K50.9Low54.8Low220 Ų22079.9 Ų79.996%0.95744%0.435SS*.SBendtrans-70.818.4166.7-59.6-178.7179.8-179.90113.9E184E184-K186 PolarHBondContact O-N 2.65Å
187T49.2Very low55.7Low56 Ų5683.5 Ų83.534%0.34444%0.435SS..SBendtrans-114.8126.5178.143.50000110.1S185 T189S185-T187 PolarHBondContact O-N 3.03Å; T187-T189 PolarHBondContact O-N 3.27Å
188T52.1Low56.4Low106 Ų10683.3 Ų83.365%0.6543%0.428SS*.  trans-50.1129.6-173.7-54.20000112.4L190T188-L190 VanDerWaalsContact C-N 3.35Å; T188-L190 PolarHBondContact O-N 3.18Å
189T53.9Low56.6Low110 Ų11080.5 Ų80.568%0.67541%0.413SS*.  trans-57.983.3-172.6-430000113.6T187 V191T187-T189 PolarHBondContact O-N 3.27Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 WeakPolarHBondContact CG2-O 3.4Å
190L58.9Low56.5Low40 Ų4085.3 Ų85.321%0.20945%0.447CS..  trans-76.9-18.8175.4-77.9171.5000112.9T188 L258T188-L190 VanDerWaalsContact C-N 3.35Å; T188-L190 PolarHBondContact O-N 3.18Å; L190-L258 HydrophobicContact CB-CD1 4.43Å; L190-L258 HydrophobicContact CD2-CB 4.35Å; L190-L258 WeakPolarHBondContact O-CD1 3.35Å; L190-L258 WeakPolarHBondContact O-CD2 3.17Å
191V61.8Low56.6Low11 Ų1182 Ų827%0.06745%0.452CS..SBendtrans-128132.2-174.4-176.80000109P129 T189 I193 L258P129-V191 HydrophobicContact CG-CB 4.03Å; P129-V191 HydrophobicContact CG-CG2 3.72Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 WeakPolarHBondContact CG2-O 3.4Å; V191-I193 PolarHBondContact O-N 2.81Å; V191-L258 HydrophobicContact CG2-CD1 3.71Å
192Q59.1Low56.6Low173 Ų17388.4 Ų88.481%0.80848%0.475SS*.  trans-68.2110165.1-75.2176.5-43.700108.3Q194Q192-Q194 PolarHBondContact O-N 2.96Å
193I63.6Low57.1Low50 Ų5086.6 Ų86.626%0.25648%0.478SS..  trans-70.4114.7177.9-68.3168.2000107.9L181 P183 V191L181-I193 HydrophobicContact CB-CG2 4.09Å; L181-I193 HydrophobicContact CD1-CG2 3.6Å; L181-I193 HydrophobicContact CG-CG2 4.48Å; P183-I193 HydrophobicContact CB-CD1 3.81Å; V191-I193 PolarHBondContact O-N 2.81Å
194Q57.6Low57.8Low123 Ų12387.5 Ų87.558%0.57548%0.476SS*.  trans-83.7145.2171.5-63.8-173.511.500109.4Q192Q192-Q194 PolarHBondContact O-N 2.96Å
195P62.3Low59.1Low75 Ų7583.4 Ų83.449%0.48746%0.457SS..  trans-61.8139.417127.9-34.3000109.5Q197P195-Q197 PolarHBondContact O-N 3.44Å
196I65Low60.8Low31 Ų3184 Ų8416%0.15946%0.457CS..  trans-75.9101.2177.6-46.9-175000108.1Y133 L181 S198 P205 Y214 L220 A228Y133-I196 HydrophobicContact CD2-CD1 4.4Å; L181-I196 HydrophobicContact CD1-CD1 4.11Å; L181-I196 HydrophobicContact CD1-CG1 3.76Å; L181-I196 HydrophobicContact CD2-CD1 3.91Å; L181-I196 HydrophobicContact CD2-CG1 4.11Å; L181-I196 HydrophobicContact CG-CD1 4.4Å; L181-I196 HydrophobicContact CG-CG1 4.09Å; I196-S198 PolarHBondContact O-N 2.88Å; I196-P205 HydrophobicContact CB-CB 4.12Å; I196-P205 HydrophobicContact CG2-CB 3.58Å; I196-Y214 HydrophobicContact CD1-CD2 3.93Å; I196-Y214 HydrophobicContact CD1-CE2 3.58Å; I196-Y214 HydrophobicContact CG2-CE2 4.19Å; I196-L220 HydrophobicContact CD1-CD1 3.52Å; I196-A228 HydrophobicContact CD1-CB 3.8Å; I196-A228 HydrophobicContact CG1-CB 4.32Å
197Q58.3Low62.7Low172 Ų17273.5 Ų73.580%0.80441%0.412SS*.PPolyproline II helixtrans-62.1122.6169.9-64.7178-8.300108.6P195P195-Q197 PolarHBondContact O-N 3.44Å
198S60.4Low64.6Low30 Ų3074.4 Ų74.421%0.2141%0.412CS..PPolyproline II helixtrans-61.4147.2167.146.10000109.9I196 G203I196-S198 PolarHBondContact O-N 2.88Å; S198-G203 WeakPolarHBondContact CB-O 3.4Å; S198-G203 PolarHBondContact OG-O 2.96Å
199S56.3Low66.4Low38 Ų3872 Ų7227%0.26640%0.395SS..PPolyproline II helixtrans-73.8134.9177.883.20000109.6A201 R202 G203S199-A201 PolarHBondContact O-N 2.92Å; S199-R202 PolarHBondContact O-N 2.82Å; S199-R202 PolarHBondContact OG-N 3.38Å; S199-G203 PolarHBondContact O-N 3.35Å
200P53.1Low68.3Low137 Ų13769 Ų6989%0.8938%0.378SS*.THydrogen-bonded Turntrans-66.6-2.7179.428-35.9000113.5
201A57.3Low69.8Low84 Ų8472.9 Ų72.969%0.69440%0.398SS*.THydrogen-bonded Turntrans-99.5-14.1174.300000114S199S199-A201 PolarHBondContact O-N 2.92Å
202R57.5Low71Confident137 Ų13776.9 Ų76.952%0.51742%0.418SS..THydrogen-bonded Turntrans-132.7-5.9-178.8-70-166.1-85.1-778.4115.6S199 H204 E206S199-R202 PolarHBondContact O-N 2.82Å; S199-R202 PolarHBondContact OG-N 3.38Å; R202-H204 PolarHBondContact O-N 3.02Å; R202-E206 IonicContact CZ-OE1 3.01Å; R202-E206 IonicContact CZ-OE2 3.67Å; R202-E206 IonicContact NE-OE1 3.71Å; R202-E206 PolarHBondContact NE-OE1 3.5Å; R202-E206 IonicContact NE-OE2 2.91Å; R202-E206 PolarHBondContact NE-OE2 2.91Å; R202-E206 IonicContact NH2-OE1 2.74Å; R202-E206 PolarHBondContact NH2-OE1 2.91Å; R202-E206 IonicContact NH2-OE2 2.8Å
203G66Low72.4Confident41 Ų4173.2 Ų73.242%0.42340%0.401SS..SBendtrans74.2-29.9173.600000115.3S198 S199S198-G203 WeakPolarHBondContact CB-O 3.4Å; S198-G203 PolarHBondContact OG-O 2.96Å; S199-G203 PolarHBondContact O-N 3.35Å
204H66.9Low73.6Confident90 Ų9071.2 Ų71.242%0.41739%0.39SS..SBendtrans-110.5154.9-178.8-52.8-52.4000111.9R202 E213R202-H204 PolarHBondContact O-N 3.02Å; H204-E213 HydrophobicContact CB-CG 4.03Å; H204-E213 IonicContact CD2-OE1 3.45Å; H204-E213 PolarHBondContact CD2-OE1 3.01Å; H204-E213 VanDerWaalsContact CD2-OE1 3.27Å; H204-E213 IonicContact CD2-OE2 3.57Å; H204-E213 IonicContact CG-OE1 2.68Å; H204-E213 IonicContact CG-OE2 3.58Å
205P79.4Confident74.8Confident5 Ų571.7 Ų71.73%0.03239%0.392CS..  trans-88132172.734.6-31.5000110.5Y133 H179 I196 Y214Y133-P205 HydrophobicContact CE2-CG 3.98Å; Y133-P205 WeakPolarHBondContact OH-CG 3.35Å; H179-P205 HydrophobicContact CB-CG 4.46Å; I196-P205 HydrophobicContact CB-CB 4.12Å; I196-P205 HydrophobicContact CG2-CB 3.58Å; P205-Y214 HydrophobicContact CB-CD2 3.98Å; P205-Y214 HydrophobicContact CB-CE2 4.45Å; P205-Y214 HydrophobicContact CG-CD2 4.27Å; P205-Y214 VanDerWaalsContact O-CD2 3.23Å; P205-Y214 WeakPolarHBondContact O-CD2 3.5Å; P205-Y214 PolarHBondContact O-N 2.8Å
206E87.6Confident75.8Confident35 Ų3571.3 Ų71.316%0.16439%0.386CS..EExtended strand (participates in β ladder)trans-126.6160.8-173.367.7-175.3-157.300112.2R202 I212 Y214R202-E206 IonicContact CZ-OE1 3.01Å; R202-E206 IonicContact CZ-OE2 3.67Å; R202-E206 IonicContact NE-OE1 3.71Å; R202-E206 PolarHBondContact NE-OE1 3.5Å; R202-E206 IonicContact NE-OE2 2.91Å; R202-E206 PolarHBondContact NE-OE2 2.91Å; R202-E206 IonicContact NH2-OE1 2.74Å; R202-E206 PolarHBondContact NH2-OE1 2.91Å; R202-E206 IonicContact NH2-OE2 2.8Å; E206-I212 WeakPolarHBondContact CA-O 3.39Å; E206-Y214 WeakPolarHBondContact O-CE2 3.18Å; E206-Y214 PolarHBondContact O-OH 2.74Å
207C90.6Very high76.7Confident0 Ų076.8 Ų76.80%041%0.409CS..EExtended strand (participates in β ladder)trans-89.5112.1172.6-178.20000111.2I209 C210 L211 I212 Y214 H230C207-I209 PolarHBondContact O-N 2.96Å; C207-C210 VanDerWaalsContact CB-SG 3.59Å; C207-C210 PolarHBondContact O-N 3.5Å; C207-L211 WeakPolarHBondContact O-CA 3.46Å; C207-L211 PolarHBondContact O-N 3.33Å; C207-I212 PolarHBondContact N-O 3.33Å; C207-Y214 WeakPolarHBondContact CA-OH 3.46Å; C207-Y214 HydrophobicContact CB-CD1 4.48Å; C207-Y214 HydrophobicContact CB-CE1 3.61Å; C207-H230 WeakPolarHBondContact CB-ND1 3.33Å; C207-H230 PolarHBondContact SG-ND1 3.48Å; C207-H230 VanDerWaalsContact SG-ND1 3.38Å
208E89.1Confident78.1Confident74 Ų7470.5 Ų70.535%0.34638%0.381SS..THydrogen-bonded Turntrans-63.7-2.8-175.7-55.3175.3171.500115.1F229 K246E208-F229 HydrophobicContact CB-CE1 4.21Å; E208-K246 WeakPolarHBondContact OE1-CD 3.22Å; E208-K246 WeakPolarHBondContact OE1-CE 3.47Å; E208-K246 IonicContact OE1-NZ 2.74Å; E208-K246 PolarHBondContact OE1-NZ 2.77Å; E208-K246 WeakPolarHBondContact OE2-CB 3.46Å; E208-K246 WeakPolarHBondContact OE2-CD 3.44Å; E208-K246 WeakPolarHBondContact OE2-CG 3.35Å
209I90.6Very high79.4Confident56 Ų5677 Ų7729%0.28740%0.401SS..THydrogen-bonded Turntrans-94.6-38177.4-57.4172.3000111.7C207 F229 C233 I234 W237 P245C207-I209 PolarHBondContact O-N 2.96Å; I209-F229 HydrophobicContact CD1-CB 4.04Å; I209-F229 HydrophobicContact CD1-CD1 3.71Å; I209-F229 HydrophobicContact CD1-CE1 4.43Å; I209-F229 HydrophobicContact CD1-CG 3.93Å; I209-F229 HydrophobicContact CG1-CD1 3.8Å; I209-F229 HydrophobicContact CG1-CE1 4.29Å; I209-C233 HydrophobicContact CB-CB 3.91Å; I209-C233 HydrophobicContact CD1-CB 4Å; I209-C233 HydrophobicContact CG2-CB 3.82Å; I209-I234 HydrophobicContact CD1-CB 3.93Å; I209-I234 HydrophobicContact CD1-CD1 3.98Å; I209-W237 HydrophobicContact CD1-CB 4.49Å; I209-P245 HydrophobicContact CD1-CG 4.05Å; I209-P245 HydrophobicContact CG1-CG 4.02Å
210C92.9Very high81.1Confident47 Ų4775.2 Ų75.232%0.31839%0.388SS..THydrogen-bonded Turntrans-111.6-10.6179.656.40000113.9C207 I212C207-C210 VanDerWaalsContact CB-SG 3.59Å; C207-C210 PolarHBondContact O-N 3.5Å; C210-I212 HydrophobicContact CB-CD1 4.14Å; C210-I212 HydrophobicContact CB-CG1 4.13Å; C210-I212 PolarHBondContact O-N 3.37Å
211L89.8Confident82.8Confident122 Ų12269.3 Ų69.364%0.63935%0.348SS*.THydrogen-bonded Turntrans58.731.3-175.8-49.3-179.3000113.6C207C207-L211 WeakPolarHBondContact O-CA 3.46Å; C207-L211 PolarHBondContact O-N 3.33Å
212I88.6Confident84.3Confident94 Ų9465.3 Ų65.348%0.48232%0.315SS..EExtended strand (participates in β ladder)trans-105.4137.4175.7-53.8174.6000108.9E206 C207 C210E206-I212 WeakPolarHBondContact CA-O 3.39Å; C207-I212 PolarHBondContact N-O 3.33Å; C210-I212 HydrophobicContact CB-CD1 4.14Å; C210-I212 HydrophobicContact CB-CG1 4.13Å; C210-I212 PolarHBondContact O-N 3.37Å
213E88.1Confident85.8Confident96 Ų9658.8 Ų58.845%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-61.9146.5173.4-63.2-179.2178.900111.9H204 Q215H204-E213 HydrophobicContact CB-CG 4.03Å; H204-E213 IonicContact CD2-OE1 3.45Å; H204-E213 PolarHBondContact CD2-OE1 3.01Å; H204-E213 VanDerWaalsContact CD2-OE1 3.27Å; H204-E213 IonicContact CD2-OE2 3.57Å; H204-E213 IonicContact CG-OE1 2.68Å; H204-E213 IonicContact CG-OE2 3.58Å; E213-Q215 PolarHBondContact O-N 3.24Å
214Y87.8Confident86.8Confident9 Ų958 Ų584%0.03528%0.277CS..PPolyproline II helixtrans-75124178-63.3-61.6000111.5Y133 I196 P205 E206 C207 L220 A228 F229 H230Y133-Y214 HydrophobicContact CD2-CD2 4.39Å; Y133-Y214 HydrophobicContact CD2-CG 4.2Å; Y133-Y214 WeakPolarHBondContact CE1-O 3.43Å; Y133-Y214 HydrophobicContact CE2-CD2 4.28Å; Y133-Y214 HydrophobicContact CE2-CG 4.36Å; Y133-Y214 HydrophobicContact CG-CG 4.47Å; I196-Y214 HydrophobicContact CD1-CD2 3.93Å; I196-Y214 HydrophobicContact CD1-CE2 3.58Å; I196-Y214 HydrophobicContact CG2-CE2 4.19Å; P205-Y214 HydrophobicContact CB-CD2 3.98Å; P205-Y214 HydrophobicContact CB-CE2 4.45Å; P205-Y214 HydrophobicContact CG-CD2 4.27Å; P205-Y214 VanDerWaalsContact O-CD2 3.23Å; P205-Y214 WeakPolarHBondContact O-CD2 3.5Å; P205-Y214 PolarHBondContact O-N 2.8Å; E206-Y214 WeakPolarHBondContact O-CE2 3.18Å; E206-Y214 PolarHBondContact O-OH 2.74Å; C207-Y214 WeakPolarHBondContact CA-OH 3.46Å; C207-Y214 HydrophobicContact CB-CD1 4.48Å; C207-Y214 HydrophobicContact CB-CE1 3.61Å; Y214-L220 HydrophobicContact CD1-CD1 4.08Å; Y214-L220 HydrophobicContact CD1-CD2 3.45Å; Y214-L220 VanDerWaalsContact CD1-CD2 3.45Å; Y214-L220 HydrophobicContact CD1-CG 4.42Å; Y214-L220 HydrophobicContact CE1-CD1 3.99Å; Y214-L220 HydrophobicContact CE1-CD2 3.37Å; Y214-L220 HydrophobicContact CE1-CG 4.35Å; Y214-L220 HydrophobicContact CG-CD1 4.38Å; Y214-L220 HydrophobicContact CG-CD2 4.43Å; Y214-A228 PolarHBondContact OH-O 3.19Å; Y214-A228 VanDerWaalsContact OH-O 3.1Å; Y214-F229 WeakPolarHBondContact OH-CA 3.19Å; Y214-H230 AromaticContact CD1-CE1 3.65Å; Y214-H230 AromaticContact CD1-NE2 3.58Å; Y214-H230 AromaticContact CE1-CE1 3.79Å; Y214-H230 AromaticContact CE1-ND1 3.87Å
215Q84.1Confident87.9Confident133 Ų13355.8 Ų55.862%0.62127%0.272SS*.PPolyproline II helixtrans-92.7155.2178.4-61.5-171.50.300111.3Y133 E213 K217 D218Y133-Q215 VanDerWaalsContact CD1-O 3.3Å; Y133-Q215 WeakPolarHBondContact CD1-O 3.31Å; E213-Q215 PolarHBondContact O-N 3.24Å; Q215-K217 PolarHBondContact O-N 2.92Å; Q215-D218 PolarHBondContact N-OD2 2.84Å; Q215-D218 VanDerWaalsContact O-CB 3.26Å; Q215-D218 WeakPolarHBondContact O-CB 3.22Å; Q215-D218 PolarHBondContact O-N 3.04Å
216D82.8Confident88.1Confident67 Ų6756.1 Ų56.136%0.35828%0.276SS..THydrogen-bonded Turntrans-55.1135.2175.1-167.966.9000110.8R134 I135 D218R134-D216 VanDerWaalsContact CA-OD1 3.28Å; R134-D216 WeakPolarHBondContact CA-OD1 3.46Å; I135-D216 HydrophobicContact CD1-CB 4.3Å; I135-D216 HydrophobicContact CG1-CB 4.25Å; I135-D216 PolarHBondContact N-OD1 3.36Å; D216-D218 VanDerWaalsContact C-N 3.32Å
217K83.1Confident88.2Confident145 Ų14556.7 Ų56.763%0.6328%0.279SS*.THydrogen-bonded Turntrans74.17.7-174-37-170.6-161.9-45.60115.7I132 Y133 Q215 R219I132-K217 HydrophobicContact CG2-CB 4.49Å; Y133-K217 WeakPolarHBondContact O-CA 3.34Å; Y133-K217 PolarHBondContact O-N 2.95Å; Q215-K217 PolarHBondContact O-N 2.92Å; K217-R219 PolarHBondContact O-N 2.93Å
218D87.6Confident88.1Confident40 Ų4057.5 Ų57.521%0.21429%0.285CS..  trans-60.6130.8175.1-106.4-38.4000112.2I132 Y133 Q215 D216 L220 H230I132-D218 WeakPolarHBondContact CA-O 3.35Å; Y133-D218 PolarHBondContact N-O 2.93Å; Q215-D218 PolarHBondContact N-OD2 2.84Å; Q215-D218 VanDerWaalsContact O-CB 3.26Å; Q215-D218 WeakPolarHBondContact O-CB 3.22Å; Q215-D218 PolarHBondContact O-N 3.04Å; D216-D218 VanDerWaalsContact C-N 3.32Å; D218-L220 HydrophobicContact CB-CD2 4.12Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-H230 IonicContact OD1-CD2 3.52Å; D218-H230 PolarHBondContact OD1-CD2 2.95Å; D218-H230 VanDerWaalsContact OD1-CD2 3.23Å; D218-H230 IonicContact OD1-NE2 3.31Å; D218-H230 PolarHBondContact OD1-NE2 3.24Å; D218-H230 IonicContact OD2-CD2 2.72Å; D218-H230 PolarHBondContact OD2-CD2 3.06Å; D218-H230 IonicContact OD2-CE1 3.69Å; D218-H230 IonicContact OD2-NE2 3.26Å; D218-H230 PolarHBondContact OD2-NE2 3.26Å
219R89.4Confident88.2Confident168 Ų16854 Ų5463%0.63427%0.269SS*.EExtended strand (participates in β ladder)trans-85.2111177.4-79-175.5-72.9-96.6-0.6110.4I132 K217 M231I132-R219 HydrophobicContact CD1-CG 4.24Å; I132-R219 HydrophobicContact CG1-CG 3.87Å; K217-R219 PolarHBondContact O-N 2.93Å; R219-M231 HydrophobicContact CB-CG 4.16Å; R219-M231 HydrophobicContact CB-SD 3.76Å; R219-M231 HydrophobicContact CG-SD 4.47Å; R219-M231 WeakPolarHBondContact O-CG 3.42Å; R219-M231 PolarHBondContact O-N 2.93Å
220L90Very high88.3Confident0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-103.6152.7-179.9-50.3-168.3000111.5T130 S131 Y133 L181 I196 Y214 D218 A228 F229T130-L220 CarbonylContact C-O 3.58Å; T130-L220 WeakPolarHBondContact CA-O 3.41Å; T130-L220 VanDerWaalsContact CB-O 3.27Å; T130-L220 WeakPolarHBondContact CB-O 3.38Å; S131-L220 PolarHBondContact N-O 3.2Å; S131-L220 PolarHBondContact O-N 2.87Å; Y133-L220 HydrophobicContact CD2-CD1 4.14Å; Y133-L220 HydrophobicContact CG-CD1 4.5Å; L181-L220 HydrophobicContact CD2-CD1 3.85Å; I196-L220 HydrophobicContact CD1-CD1 3.52Å; Y214-L220 HydrophobicContact CD1-CD1 4.08Å; Y214-L220 HydrophobicContact CD1-CD2 3.45Å; Y214-L220 VanDerWaalsContact CD1-CD2 3.45Å; Y214-L220 HydrophobicContact CD1-CG 4.42Å; Y214-L220 HydrophobicContact CE1-CD1 3.99Å; Y214-L220 HydrophobicContact CE1-CD2 3.37Å; Y214-L220 HydrophobicContact CE1-CG 4.35Å; Y214-L220 HydrophobicContact CG-CD1 4.38Å; Y214-L220 HydrophobicContact CG-CD2 4.43Å; D218-L220 HydrophobicContact CB-CD2 4.12Å; D218-L220 PolarHBondContact O-N 2.93Å; L220-A228 HydrophobicContact CD1-CB 4.3Å; L220-F229 CarbonylContact C-O 3.39Å; L220-F229 VanDerWaalsContact CA-O 3.23Å; L220-F229 WeakPolarHBondContact CA-O 3.05Å
221R89.5Confident88.2Confident12 Ų1252.6 Ų52.65%0.04526%0.257CS..EExtended strand (participates in β ladder)trans-118135.6170-178.3-174.9-59.1-69.313.2110.2L125 L128 P129 T130 A228 F229 M231 I234 D235L125-R221 PolarHBondContact O-NH1 3.43Å; L128-R221 HydrophobicContact CB-CG 3.85Å; L128-R221 PolarHBondContact O-NH1 3.45Å; P129-R221 WeakPolarHBondContact O-CG 3.38Å; T130-R221 HydrophobicContact CG2-CB 4.24Å; T130-R221 HydrophobicContact CG2-CG 4.36Å; R221-A228 WeakPolarHBondContact O-CA 3.36Å; R221-F229 PolarHBondContact N-O 3.12Å; R221-F229 PolarHBondContact O-N 3.38Å; R221-M231 HydrophobicContact CB-CG 4.06Å; R221-I234 HydrophobicContact CB-CG2 3.81Å; R221-I234 HydrophobicContact CG-CG2 4.34Å; R221-D235 IonicContact CZ-OD1 2.73Å; R221-D235 VanDerWaalsContact CZ-OD1 3.26Å; R221-D235 IonicContact CZ-OD2 3.75Å; R221-D235 IonicContact NE-OD1 3.78Å; R221-D235 PolarHBondContact NE-OD1 3.19Å; R221-D235 IonicContact NE-OD2 3.27Å; R221-D235 VanDerWaalsContact NH2-CG 3.31Å; R221-D235 IonicContact NH2-OD1 2.68Å; R221-D235 PolarHBondContact NH2-OD1 2.85Å; R221-D235 IonicContact NH2-OD2 3.03Å; R221-D235 PolarHBondContact NH2-OD2 2.68Å
222H89Confident88.3Confident1 Ų155.3 Ų55.31%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-96.3127.1178.4-71-78.8000111P129 S131 L181P129-H222 HydrophobicContact CG-CB 4.07Å; P129-H222 PolarHBondContact O-N 2.96Å; S131-H222 PolarHBondContact OG-NE2 2.98Å; L181-H222 VanDerWaalsContact CD1-CE1 3.41Å; L181-H222 WeakPolarHBondContact CD1-CE1 3.2Å
223L89.6Confident88.6Confident0 Ų052.2 Ų52.20%025%0.25CC..  trans-83.1156.4170.9-65.6-172.6000110.9L128 C225 G226 H227 F229 I234 L238 C244 V251L128-L223 HydrophobicContact CD1-CD2 4.2Å; L128-L223 HydrophobicContact CD2-CD2 4.4Å; L223-C225 VanDerWaalsContact CB-SG 3.58Å; L223-C225 PolarHBondContact O-N 3.22Å; L223-G226 PolarHBondContact O-N 3.44Å; L223-H227 PolarHBondContact N-O 3.47Å; L223-F229 HydrophobicContact CD1-CD2 4.17Å; L223-F229 HydrophobicContact CD1-CE2 3.62Å; L223-F229 HydrophobicContact CG-CD2 4.3Å; L223-F229 HydrophobicContact CG-CE2 4.11Å; L223-I234 HydrophobicContact CD1-CD1 4Å; L223-I234 HydrophobicContact CD1-CG1 4.4Å; L223-I234 HydrophobicContact CD2-CD1 4.35Å; L223-I234 HydrophobicContact CD2-CG1 3.99Å; L223-I234 HydrophobicContact CG-CG1 4.41Å; L223-L238 HydrophobicContact CD2-CD1 4.06Å; L223-C244 HydrophobicContact CD1-CB 3.57Å; L223-V251 HydrophobicContact CD1-CG2 4.09Å; L223-V251 HydrophobicContact CD2-CG1 4.14Å; L223-V251 HydrophobicContact CD2-CG2 3.94Å; L223-V251 HydrophobicContact CG-CG2 4.49Å
224P86.8Confident88.8Confident23 Ų2347.6 Ų47.615%0.14923%0.229CC..THydrogen-bonded Turntrans-67.11.9179.530.2-38.8000114.8V251 L255 L258P224-V251 HydrophobicContact CG-CB 4.5Å; P224-V251 HydrophobicContact CG-CG1 4.12Å; P224-V251 WeakPolarHBondContact CG-O 3.46Å; P224-L255 HydrophobicContact CG-CG 4.36Å; P224-L258 HydrophobicContact CB-CD1 3.38Å; P224-L258 HydrophobicContact CB-CG 4.38Å
225C88.8Confident89Confident44 Ų4448.6 Ų48.630%0.29724%0.235SC..THydrogen-bonded Turntrans-96.82.4168.755.40000113.8L223 C244 A249L223-C225 VanDerWaalsContact CB-SG 3.58Å; L223-C225 PolarHBondContact O-N 3.22Å; C225-C244 VanDerWaalsContact SG-SG 3.63Å; C225-A249 HydrophobicContact CB-CB 4.24Å
226G85.4Confident89.4Confident12 Ų1245.6 Ų45.612%0.12423%0.228CC..SBendtrans88.31.5179.900000115.4L223L223-G226 PolarHBondContact O-N 3.44Å
227H88.2Confident89.8Confident48 Ų4846.8 Ų46.822%0.22223%0.228CC..  trans-92.7137.5-178.3-60.6144.3000113L223 F229 C247L223-H227 PolarHBondContact N-O 3.47Å; H227-F229 HydrophobicContact CB-CE2 3.77Å; H227-F229 HydrophobicContact CB-CZ 4.05Å; H227-C247 VanDerWaalsContact CE1-SG 3.55Å; H227-C247 PolarHBondContact ND1-SG 2.88Å; H227-C247 VanDerWaalsContact ND1-SG 3.44Å
228A89.3Confident90.2Very high16 Ų1639.9 Ų39.913%0.13220%0.198CC..EExtended strand (participates in β ladder)trans-106.8145.8-178.700000112I196 Y214 L220 R221I196-A228 HydrophobicContact CD1-CB 3.8Å; I196-A228 HydrophobicContact CG1-CB 4.32Å; Y214-A228 PolarHBondContact OH-O 3.19Å; Y214-A228 VanDerWaalsContact OH-O 3.1Å; L220-A228 HydrophobicContact CD1-CB 4.3Å; R221-A228 WeakPolarHBondContact O-CA 3.36Å
229F91.6Very high90.2Very high2 Ų243.9 Ų43.91%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-149.1158.7176.3-53.6-88.7000109.1E208 I209 Y214 L220 R221 L223 H227 M231 I234 P245 K246E208-F229 HydrophobicContact CB-CE1 4.21Å; I209-F229 HydrophobicContact CD1-CB 4.04Å; I209-F229 HydrophobicContact CD1-CD1 3.71Å; I209-F229 HydrophobicContact CD1-CE1 4.43Å; I209-F229 HydrophobicContact CD1-CG 3.93Å; I209-F229 HydrophobicContact CG1-CD1 3.8Å; I209-F229 HydrophobicContact CG1-CE1 4.29Å; Y214-F229 WeakPolarHBondContact OH-CA 3.19Å; L220-F229 CarbonylContact C-O 3.39Å; L220-F229 VanDerWaalsContact CA-O 3.23Å; L220-F229 WeakPolarHBondContact CA-O 3.05Å; R221-F229 PolarHBondContact N-O 3.12Å; R221-F229 PolarHBondContact O-N 3.38Å; L223-F229 HydrophobicContact CD1-CD2 4.17Å; L223-F229 HydrophobicContact CD1-CE2 3.62Å; L223-F229 HydrophobicContact CG-CD2 4.3Å; L223-F229 HydrophobicContact CG-CE2 4.11Å; H227-F229 HydrophobicContact CB-CE2 3.77Å; H227-F229 HydrophobicContact CB-CZ 4.05Å; F229-M231 PolarHBondContact O-N 3Å; F229-I234 HydrophobicContact CB-CB 3.85Å; F229-I234 HydrophobicContact CB-CG2 4.09Å; F229-I234 HydrophobicContact CD2-CB 4.37Å; F229-I234 HydrophobicContact CD2-CD1 4.13Å; F229-I234 HydrophobicContact CD2-CG1 4.16Å; F229-I234 HydrophobicContact CE2-CD1 4.49Å; F229-I234 HydrophobicContact CG-CB 4.3Å; F229-I234 HydrophobicContact CG-CD1 4.5Å; F229-P245 HydrophobicContact CE1-CB 4.33Å; F229-P245 HydrophobicContact CE1-CG 4.25Å; F229-P245 HydrophobicContact CZ-CB 4.45Å; F229-P245 HydrophobicContact CZ-CG 4.27Å; F229-K246 HydrophobicContact CZ-CB 4.19Å
230H92.3Very high90.1Very high21 Ų2143 Ų4310%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-53.9133168.7-68.1109.1000110.8C207 Y214 D218 K232 C233 I234C207-H230 WeakPolarHBondContact CB-ND1 3.33Å; C207-H230 PolarHBondContact SG-ND1 3.48Å; C207-H230 VanDerWaalsContact SG-ND1 3.38Å; Y214-H230 AromaticContact CD1-CE1 3.65Å; Y214-H230 AromaticContact CD1-NE2 3.58Å; Y214-H230 AromaticContact CE1-CE1 3.79Å; Y214-H230 AromaticContact CE1-ND1 3.87Å; D218-H230 IonicContact OD1-CD2 3.52Å; D218-H230 PolarHBondContact OD1-CD2 2.95Å; D218-H230 VanDerWaalsContact OD1-CD2 3.23Å; D218-H230 IonicContact OD1-NE2 3.31Å; D218-H230 PolarHBondContact OD1-NE2 3.24Å; D218-H230 IonicContact OD2-CD2 2.72Å; D218-H230 PolarHBondContact OD2-CD2 3.06Å; D218-H230 IonicContact OD2-CE1 3.69Å; D218-H230 IonicContact OD2-NE2 3.26Å; D218-H230 PolarHBondContact OD2-NE2 3.26Å; H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 3.29Å; H230-C233 HydrophobicContact CB-CB 4.16Å; H230-C233 PolarHBondContact O-N 3.28Å; H230-I234 PolarHBondContact O-N 3.5Å; H230-I234 VanDerWaalsContact O-N 3.15Å
231M91.1Very high90Very high51 Ų5144.6 Ų44.625%0.25123%0.227SC..Hα-helixtrans-48.8-50.1-178.4-80-175.472.600112.2T130 R219 R221 F229 C233 D235T130-M231 HydrophobicContact CG2-CE 3.92Å; T130-M231 HydrophobicContact CG2-CG 4.11Å; T130-M231 HydrophobicContact CG2-SD 3.8Å; R219-M231 HydrophobicContact CB-CG 4.16Å; R219-M231 HydrophobicContact CB-SD 3.76Å; R219-M231 HydrophobicContact CG-SD 4.47Å; R219-M231 WeakPolarHBondContact O-CG 3.42Å; R219-M231 PolarHBondContact O-N 2.93Å; R221-M231 HydrophobicContact CB-CG 4.06Å; F229-M231 PolarHBondContact O-N 3Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3Å; M231-D235 WeakPolarHBondContact O-CB 3.33Å; M231-D235 PolarHBondContact O-N 3.07Å
232K92.2Very high90Very high179 Ų17945.5 Ų45.578%0.77823%0.234SC*.Hα-helixtrans-57.3-43.3-179.9-67.5-177178.2179.70112.5H230 S236H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 3.29Å; K232-S236 PolarHBondContact O-N 3.11Å; K232-S236 VanDerWaalsContact O-N 3.16Å; K232-S236 PolarHBondContact O-OG 3.25Å
233C93.8Very high90.2Very high29 Ų2947.6 Ų47.620%0.19625%0.247CC..Hα-helixtrans-70.8-47.4-174-61.30000111.5I209 H230 M231 S236 W237I209-C233 HydrophobicContact CB-CB 3.91Å; I209-C233 HydrophobicContact CD1-CB 4Å; I209-C233 HydrophobicContact CG2-CB 3.82Å; H230-C233 HydrophobicContact CB-CB 4.16Å; H230-C233 PolarHBondContact O-N 3.28Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3Å; C233-S236 PolarHBondContact O-N 2.94Å; C233-W237 PolarHBondContact O-N 3.29Å; C233-W237 VanDerWaalsContact O-N 3.1Å
234I93Very high90.3Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-75.4-30.2179-169.563.8000112.6I209 R221 L223 F229 H230 S236 W237 L238 P245I209-I234 HydrophobicContact CD1-CB 3.93Å; I209-I234 HydrophobicContact CD1-CD1 3.98Å; R221-I234 HydrophobicContact CB-CG2 3.81Å; R221-I234 HydrophobicContact CG-CG2 4.34Å; L223-I234 HydrophobicContact CD1-CD1 4Å; L223-I234 HydrophobicContact CD1-CG1 4.4Å; L223-I234 HydrophobicContact CD2-CD1 4.35Å; L223-I234 HydrophobicContact CD2-CG1 3.99Å; L223-I234 HydrophobicContact CG-CG1 4.41Å; F229-I234 HydrophobicContact CB-CB 3.85Å; F229-I234 HydrophobicContact CB-CG2 4.09Å; F229-I234 HydrophobicContact CD2-CB 4.37Å; F229-I234 HydrophobicContact CD2-CD1 4.13Å; F229-I234 HydrophobicContact CD2-CG1 4.16Å; F229-I234 HydrophobicContact CE2-CD1 4.49Å; F229-I234 HydrophobicContact CG-CB 4.3Å; F229-I234 HydrophobicContact CG-CD1 4.5Å; H230-I234 PolarHBondContact O-N 3.5Å; H230-I234 VanDerWaalsContact O-N 3.15Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.22Å; I234-W237 HydrophobicContact CD1-CB 4.24Å; I234-W237 HydrophobicContact CD1-CG 4.27Å; I234-W237 PolarHBondContact O-N 2.95Å; I234-L238 HydrophobicContact CD1-CD1 4.39Å; I234-L238 HydrophobicContact CD1-CD2 4.33Å; I234-L238 HydrophobicContact CD1-CG 4.02Å; I234-L238 HydrophobicContact CG1-CD1 3.84Å; I234-L238 HydrophobicContact CG1-CG 3.96Å; I234-L238 WeakPolarHBondContact O-CB 3.44Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.33Å; I234-P245 HydrophobicContact CD1-CG 4.13Å
235D91.5Very high90.6Very high30 Ų3048.2 Ų48.216%0.1625%0.251CS..Hα-helixtrans-67.3-31.5173.3-73.3-11.1000112.3L125 R221 M231 K239L125-D235 HydrophobicContact CD1-CB 4.29Å; R221-D235 IonicContact CZ-OD1 2.73Å; R221-D235 VanDerWaalsContact CZ-OD1 3.26Å; R221-D235 IonicContact CZ-OD2 3.75Å; R221-D235 IonicContact NE-OD1 3.78Å; R221-D235 PolarHBondContact NE-OD1 3.19Å; R221-D235 IonicContact NE-OD2 3.27Å; R221-D235 VanDerWaalsContact NH2-CG 3.31Å; R221-D235 IonicContact NH2-OD1 2.68Å; R221-D235 PolarHBondContact NH2-OD1 2.85Å; R221-D235 IonicContact NH2-OD2 3.03Å; R221-D235 PolarHBondContact NH2-OD2 2.68Å; M231-D235 WeakPolarHBondContact O-CB 3.33Å; M231-D235 PolarHBondContact O-N 3.07Å; D235-K239 WeakPolarHBondContact O-CD 3.34Å; D235-K239 WeakPolarHBondContact O-CE 3.48Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å
236S91.8Very high90.6Very high70 Ų7051.6 Ų51.649%0.4926%0.261SS..Hα-helixtrans-71.6-41.4170.1-69.80000112.2K232 C233 I234K232-S236 PolarHBondContact O-N 3.11Å; K232-S236 VanDerWaalsContact O-N 3.16Å; K232-S236 PolarHBondContact O-OG 3.25Å; C233-S236 PolarHBondContact O-N 2.94Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.22Å
237W93Very high90.9Very high91 Ų9153.8 Ų53.835%0.34527%0.274SS..Hα-helixtrans-64.3-44.5176.8176.3-89.9000113I209 C233 I234 K239 Q240 S241 T243 P245I209-W237 HydrophobicContact CD1-CB 4.49Å; C233-W237 PolarHBondContact O-N 3.29Å; C233-W237 VanDerWaalsContact O-N 3.1Å; I234-W237 HydrophobicContact CD1-CB 4.24Å; I234-W237 HydrophobicContact CD1-CG 4.27Å; I234-W237 PolarHBondContact O-N 2.95Å; W237-K239 PolarHBondContact O-N 3.29Å; W237-Q240 CarbonylContact O-C 3.5Å; W237-Q240 WeakPolarHBondContact O-CA 3.43Å; W237-Q240 PolarHBondContact O-N 2.89Å; W237-S241 PolarHBondContact O-N 3.37Å; W237-T243 PolarHBondContact NE1-O 2.96Å; W237-P245 HydrophobicContact CD2-CG 4.04Å; W237-P245 HydrophobicContact CG-CG 4.14Å; W237-P245 HydrophobicContact CZ2-CG 4.32Å
238L90.8Very high90.9Very high0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-70.6-14.6-176.7-68.1175000114.1M120 L125 L128 L223 I234 Q240 S241 V251M120-L238 HydrophobicContact CB-CB 4.26Å; M120-L238 PolarHBondContact N-O 3.38Å; M120-L238 VanDerWaalsContact N-O 3.13Å; M120-L238 HydrophobicContact SD-CB 4.29Å; M120-L238 HydrophobicContact SD-CD1 4.06Å; M120-L238 HydrophobicContact SD-CD2 4Å; M120-L238 HydrophobicContact SD-CG 4.35Å; L125-L238 HydrophobicContact CD2-CB 3.63Å; L125-L238 HydrophobicContact CD2-CD1 3.5Å; L125-L238 VanDerWaalsContact CD2-CD1 3.5Å; L125-L238 HydrophobicContact CD2-CG 4.23Å; L128-L238 HydrophobicContact CD1-CD1 3.6Å; L223-L238 HydrophobicContact CD2-CD1 4.06Å; I234-L238 HydrophobicContact CD1-CD1 4.39Å; I234-L238 HydrophobicContact CD1-CD2 4.33Å; I234-L238 HydrophobicContact CD1-CG 4.02Å; I234-L238 HydrophobicContact CG1-CD1 3.84Å; I234-L238 HydrophobicContact CG1-CG 3.96Å; I234-L238 WeakPolarHBondContact O-CB 3.44Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.33Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-S241 WeakPolarHBondContact CA-O 3.36Å; L238-V251 HydrophobicContact CD2-CB 4.28Å; L238-V251 HydrophobicContact CD2-CG1 4.42Å; L238-V251 HydrophobicContact CD2-CG2 3.89Å
239K87.9Confident90.9Very high124 Ų12462.7 Ų62.754%0.53931%0.311SS..THydrogen-bonded Turntrans-73.2-14.7165.9-69.6167.1-172.1176.20113.4F119 D235 W237F119-K239 WeakPolarHBondContact CB-O 3.48Å; F119-K239 WeakPolarHBondContact CD1-O 3.5Å; F119-K239 WeakPolarHBondContact CG-O 3.41Å; D235-K239 WeakPolarHBondContact O-CD 3.34Å; D235-K239 WeakPolarHBondContact O-CE 3.48Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å; W237-K239 PolarHBondContact O-N 3.29Å
240Q87.5Confident90.8Very high150 Ų15064.1 Ų64.170%0.70133%0.327SS*.THydrogen-bonded Turntrans-118.1-32.1-178.7-60-177.73.200112.8F119 W237 L238F119-Q240 VanDerWaalsContact CE1-O 3.3Å; F119-Q240 WeakPolarHBondContact CE1-O 3.46Å; W237-Q240 CarbonylContact O-C 3.5Å; W237-Q240 WeakPolarHBondContact O-CA 3.43Å; W237-Q240 PolarHBondContact O-N 2.89Å; L238-Q240 VanDerWaalsContact C-N 3.26Å
241S88.1Confident90.6Very high33 Ų3363.2 Ų63.223%0.23132%0.322CS..  trans-143.7121.5-176.1176.80000111.4W237 L238 T243W237-S241 PolarHBondContact O-N 3.37Å; L238-S241 WeakPolarHBondContact CA-O 3.36Å; S241-T243 PolarHBondContact O-N 3.47Å; S241-T243 VanDerWaalsContact O-N 3.08Å; S241-T243 PolarHBondContact OG-OG1 2.95Å
242T89.4Confident90.4Very high31 Ų3164 Ų6419%0.1932%0.322CS..SBendtrans-82.426.2179.767.90000113.5G118 M120 V251G118-T242 WeakPolarHBondContact O-CG2 3.06Å; M120-T242 HydrophobicContact CG-CG2 4.09Å; T242-V251 PolarHBondContact O-N 2.91Å
243T92.3Very high90.1Very high45 Ų4558.8 Ų58.828%0.27631%0.313SS..BIsolated β-bridgetrans-119.9150.9-179.863.80000111.6W237 S241 R248 A249W237-T243 PolarHBondContact NE1-O 2.96Å; S241-T243 PolarHBondContact O-N 3.47Å; S241-T243 VanDerWaalsContact O-N 3.08Å; S241-T243 PolarHBondContact OG-OG1 2.95Å; T243-R248 WeakPolarHBondContact CB-O 3.23Å; T243-A249 WeakPolarHBondContact CA-O 3.16Å
244C92Very high89.8Confident0 Ų058.3 Ų58.30%031%0.313CS..  trans-68130.8173.5173.40000110.9L223 C225 K246 R248 A249L223-C244 HydrophobicContact CD1-CB 3.57Å; C225-C244 VanDerWaalsContact SG-SG 3.63Å; C244-K246 PolarHBondContact O-N 2.98Å; C244-K246 PolarHBondContact SG-N 2.9Å; C244-R248 WeakPolarHBondContact O-CA 3.23Å; C244-R248 PolarHBondContact O-N 2.8Å; C244-A249 PolarHBondContact N-O 3.18Å
245P92.1Very high89.4Confident36 Ų3659.6 Ų59.623%0.23432%0.319CS..THydrogen-bonded Turntrans-53.3-49.4175.2-25.832.7000113I209 F229 I234 W237I209-P245 HydrophobicContact CD1-CG 4.05Å; I209-P245 HydrophobicContact CG1-CG 4.02Å; F229-P245 HydrophobicContact CE1-CB 4.33Å; F229-P245 HydrophobicContact CE1-CG 4.25Å; F229-P245 HydrophobicContact CZ-CB 4.45Å; F229-P245 HydrophobicContact CZ-CG 4.27Å; I234-P245 HydrophobicContact CD1-CG 4.13Å; W237-P245 HydrophobicContact CD2-CG 4.04Å; W237-P245 HydrophobicContact CG-CG 4.14Å; W237-P245 HydrophobicContact CZ2-CG 4.32Å
246K89.1Confident89.1Confident116 Ų11660.6 Ų60.650%0.50433%0.332SS..THydrogen-bonded Turntrans-63.1-47-174.6-166.6165.2-174139.90114.8E208 F229 C244E208-K246 WeakPolarHBondContact OE1-CD 3.22Å; E208-K246 WeakPolarHBondContact OE1-CE 3.47Å; E208-K246 IonicContact OE1-NZ 2.74Å; E208-K246 PolarHBondContact OE1-NZ 2.77Å; E208-K246 WeakPolarHBondContact OE2-CB 3.46Å; E208-K246 WeakPolarHBondContact OE2-CD 3.44Å; E208-K246 WeakPolarHBondContact OE2-CG 3.35Å; F229-K246 HydrophobicContact CZ-CB 4.19Å; C244-K246 PolarHBondContact O-N 2.98Å; C244-K246 PolarHBondContact SG-N 2.9Å
247C91.4Very high88.9Confident58 Ų5865.2 Ų65.239%0.39234%0.338SS..THydrogen-bonded Turntrans-125.75.2-169.666.20000114.9H227 A249H227-C247 VanDerWaalsContact CE1-SG 3.55Å; H227-C247 PolarHBondContact ND1-SG 2.88Å; H227-C247 VanDerWaalsContact ND1-SG 3.44Å; C247-A249 PolarHBondContact O-N 3.35Å
248R89.7Confident88.5Confident208 Ų20862.4 Ų62.479%0.78533%0.33SS*.  trans57.75.9178.9-55.1-179.4-178.3-177.2-0.7115.6T243 C244 G250T243-R248 WeakPolarHBondContact CB-O 3.23Å; C244-R248 WeakPolarHBondContact O-CA 3.23Å; C244-R248 PolarHBondContact O-N 2.8Å; R248-G250 PolarHBondContact O-N 2.74Å
249A88.6Confident88.2Confident42 Ų4265.1 Ų65.135%0.34734%0.343SS..  trans-62.4134176.700000111.6C225 T243 C244 C247 V251C225-A249 HydrophobicContact CB-CB 4.24Å; T243-A249 WeakPolarHBondContact CA-O 3.16Å; C244-A249 PolarHBondContact N-O 3.18Å; C247-A249 PolarHBondContact O-N 3.35Å; A249-V251 PolarHBondContact O-N 3.08Å
250G89.8Confident88.1Confident33 Ų3366.4 Ų66.434%0.3434%0.344SS..BIsolated β-bridgetrans-69.6116.9-179.400000112.6R248 A253 G254R248-G250 PolarHBondContact O-N 2.74Å; G250-A253 PolarHBondContact O-N 2.92Å; G250-G254 PolarHBondContact O-N 2.83Å
251V88.8Confident88.1Confident1 Ų162.5 Ų62.51%0.00633%0.328CS..Hα-helixtrans-65.9-45.9-172.4174.20000111.7M120 L128 L223 P224 L238 T242 A249 A253 G254 L255M120-V251 HydrophobicContact CE-CG1 4.02Å; M120-V251 HydrophobicContact SD-CB 4.09Å; M120-V251 HydrophobicContact SD-CG1 3.6Å; M120-V251 VanDerWaalsContact SD-CG1 3.6Å; L128-V251 HydrophobicContact CD1-CG1 4.14Å; L128-V251 HydrophobicContact CD2-CG1 3.93Å; L223-V251 HydrophobicContact CD1-CG2 4.09Å; L223-V251 HydrophobicContact CD2-CG1 4.14Å; L223-V251 HydrophobicContact CD2-CG2 3.94Å; L223-V251 HydrophobicContact CG-CG2 4.49Å; P224-V251 HydrophobicContact CG-CB 4.5Å; P224-V251 HydrophobicContact CG-CG1 4.12Å; P224-V251 WeakPolarHBondContact CG-O 3.46Å; L238-V251 HydrophobicContact CD2-CB 4.28Å; L238-V251 HydrophobicContact CD2-CG1 4.42Å; L238-V251 HydrophobicContact CD2-CG2 3.89Å; T242-V251 PolarHBondContact O-N 2.91Å; A249-V251 PolarHBondContact O-N 3.08Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.44Å; V251-G254 PolarHBondContact O-N 3.05Å; V251-L255 HydrophobicContact CG1-CD1 4.36Å; V251-L255 PolarHBondContact O-N 3.1Å
252R85.7Confident88Confident67 Ų6764 Ų6425%0.25333%0.329SS..Hα-helixtrans-63.8-33.9175.8-176.5157.652.7-124.8-4.3112.9G118 E124 A256G118-R252 VanDerWaalsContact O-CZ 3.24Å; G118-R252 PolarHBondContact O-NH1 2.79Å; G118-R252 PolarHBondContact O-NH2 3.29Å; E124-R252 IonicContact OE2-NH1 3.67Å; E124-R252 PolarHBondContact OE2-NH1 2.9Å; R252-A256 WeakPolarHBondContact O-CB 3.44Å; R252-A256 PolarHBondContact O-N 3.46Å
253A86.8Confident87.9Confident71 Ų7167.5 Ų67.559%0.58734%0.343SS*.Hα-helixtrans-70.1-37.5174.400000112.3G250 V251 R257G250-A253 PolarHBondContact O-N 2.92Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.44Å; A253-R257 PolarHBondContact O-N 3.32Å; A253-R257 VanDerWaalsContact O-N 3.07Å
254G86.3Confident87.7Confident18 Ų1873.9 Ų73.919%0.18636%0.362CS..Hα-helixtrans-62.2-51.7171.800000112.2G250 V251 A256 R257 L258G250-G254 PolarHBondContact O-N 2.83Å; V251-G254 PolarHBondContact O-N 3.05Å; G254-A256 VanDerWaalsContact C-N 3.33Å; G254-A256 PolarHBondContact O-N 3.25Å; G254-R257 WeakPolarHBondContact O-CA 3.36Å; G254-R257 WeakPolarHBondContact O-CB 3.47Å; G254-R257 PolarHBondContact O-N 2.88Å; G254-L258 WeakPolarHBondContact O-CG 3.27Å; G254-L258 PolarHBondContact O-N 3.34Å
255L84.8Confident87.3Confident27 Ų2779.8 Ų79.814%0.14139%0.39CS..Hα-helixtrans-54.1-47175-78.7169.2000112M120 L128 P224 V251 R257 L258 E259M120-L255 HydrophobicContact CE-CD1 3.88Å; L128-L255 HydrophobicContact CD2-CD1 3.93Å; L128-L255 HydrophobicContact CD2-CD2 3.96Å; L128-L255 HydrophobicContact CD2-CG 4.07Å; L128-L255 HydrophobicContact CG-CD1 4.29Å; P224-L255 HydrophobicContact CG-CG 4.36Å; V251-L255 HydrophobicContact CG1-CD1 4.36Å; V251-L255 PolarHBondContact O-N 3.1Å; L255-R257 PolarHBondContact O-N 3.01Å; L255-L258 PolarHBondContact O-N 3.4Å; L255-E259 PolarHBondContact O-N 3.38Å
256A85.8Confident87.1Confident51 Ų5185.3 Ų85.342%0.42141%0.406SS..Hα-helixtrans-68.5-15.4177.200000114.3R252 G254 R260R252-A256 WeakPolarHBondContact O-CB 3.44Å; R252-A256 PolarHBondContact O-N 3.46Å; G254-A256 VanDerWaalsContact C-N 3.33Å; G254-A256 PolarHBondContact O-N 3.25Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-NE 3.16Å
257R87.3Confident86.8Confident167 Ų16783 Ų8363%0.6341%0.409SS*.Hα-helixtrans-82.6-44.5168.5-176.4-178.8178.2-168.2-2.2110.8A253 G254 L255 R260 N261A253-R257 PolarHBondContact O-N 3.32Å; A253-R257 VanDerWaalsContact O-N 3.07Å; G254-R257 WeakPolarHBondContact O-CA 3.36Å; G254-R257 WeakPolarHBondContact O-CB 3.47Å; G254-R257 PolarHBondContact O-N 2.88Å; L255-R257 PolarHBondContact O-N 3.01Å; R257-R260 PolarHBondContact O-N 3.22Å; R257-N261 VanDerWaalsContact O-CG 3.29Å; R257-N261 PolarHBondContact O-N 3.27Å; R257-N261 PolarHBondContact O-OD1 3.07Å
258L84.5Confident86.3Confident33 Ų3387 Ų8717%0.17342%0.421CS..Hα-helixtrans-64.8-44-178.2-63.7171.2000112.2L190 V191 P224 G254 L255 R260 N261 R262L190-L258 HydrophobicContact CB-CD1 4.43Å; L190-L258 HydrophobicContact CD2-CB 4.35Å; L190-L258 WeakPolarHBondContact O-CD1 3.35Å; L190-L258 WeakPolarHBondContact O-CD2 3.17Å; V191-L258 HydrophobicContact CG2-CD1 3.71Å; P224-L258 HydrophobicContact CB-CD1 3.38Å; P224-L258 HydrophobicContact CB-CG 4.38Å; G254-L258 WeakPolarHBondContact O-CG 3.27Å; G254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 3.4Å; L258-R260 PolarHBondContact O-N 3.19Å; L258-N261 WeakPolarHBondContact O-CB 3.24Å; L258-N261 PolarHBondContact O-N 2.85Å; L258-N261 VanDerWaalsContact O-N 3.15Å; L258-R262 PolarHBondContact O-N 2.9Å
259E84.7Confident85.6Confident57 Ų5781 Ų8127%0.26641%0.411SS..Hα-helixtrans-65.9-37.7177.7-179.155.3-16100112.1L255 N261 R262 Q263L255-E259 PolarHBondContact O-N 3.38Å; E259-N261 VanDerWaalsContact C-N 3.33Å; E259-N261 PolarHBondContact O-N 3Å; E259-R262 VanDerWaalsContact CD-NH2 3.3Å; E259-R262 PolarHBondContact O-N 2.92Å; E259-R262 IonicContact OE1-CZ 2.65Å; E259-R262 IonicContact OE1-NE 3.26Å; E259-R262 IonicContact OE1-NH2 2.87Å; E259-R262 PolarHBondContact OE1-NH2 2.99Å; E259-R262 IonicContact OE2-CZ 3.15Å; E259-R262 VanDerWaalsContact OE2-CZ 3.26Å; E259-R262 IonicContact OE2-NE 2.65Å; E259-R262 PolarHBondContact OE2-NE 2.97Å; E259-R262 IonicContact OE2-NH2 3.75Å; E259-R262 PolarHBondContact OE2-NH2 2.73Å; E259-Q263 WeakPolarHBondContact O-CB 3.38Å; E259-Q263 VanDerWaalsContact O-CG 3.27Å; E259-Q263 WeakPolarHBondContact O-CG 3.27Å; E259-Q263 PolarHBondContact O-N 3.41Å; E259-Q263 PolarHBondContact OE1-NE2 3.35Å
260R86.7Confident84.6Confident150 Ų15085.6 Ų85.657%0.56643%0.43SS*.Hα-helixtrans-64.6-35.1172.3-76.2-174-65155.70.6112.8A256 R257 L258 R264A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-NE 3.16Å; R257-R260 PolarHBondContact O-N 3.22Å; L258-R260 PolarHBondContact O-N 3.19Å; R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.37Å; R260-R264 VanDerWaalsContact O-N 3.11Å
261N87.4Confident83.3Confident69 Ų6988.4 Ų88.437%0.36945%0.445SS..Hα-helixtrans-65.5-44.3172.7-70.1-5.7000110.9R257 L258 E259 Q263 R264 Q265R257-N261 VanDerWaalsContact O-CG 3.29Å; R257-N261 PolarHBondContact O-N 3.27Å; R257-N261 PolarHBondContact O-OD1 3.07Å; L258-N261 WeakPolarHBondContact O-CB 3.24Å; L258-N261 PolarHBondContact O-N 2.85Å; L258-N261 VanDerWaalsContact O-N 3.15Å; E259-N261 VanDerWaalsContact C-N 3.33Å; E259-N261 PolarHBondContact O-N 3Å; N261-Q263 PolarHBondContact O-N 2.91Å; N261-R264 WeakPolarHBondContact O-CB 3.48Å; N261-R264 PolarHBondContact O-N 3.1Å; N261-Q265 WeakPolarHBondContact O-CG 3.5Å; N261-Q265 PolarHBondContact O-N 3.17Å
262R84.3Confident81.9Confident64 Ų6491.5 Ų91.524%0.24248%0.477CS..Hα-helixtrans-63.6-38.7178-163.6-179.969.7113.78.8112.4L258 E259 Q265 R266L258-R262 PolarHBondContact O-N 2.9Å; E259-R262 VanDerWaalsContact CD-NH2 3.3Å; E259-R262 PolarHBondContact O-N 2.92Å; E259-R262 IonicContact OE1-CZ 2.65Å; E259-R262 IonicContact OE1-NE 3.26Å; E259-R262 IonicContact OE1-NH2 2.87Å; E259-R262 PolarHBondContact OE1-NH2 2.99Å; E259-R262 IonicContact OE2-CZ 3.15Å; E259-R262 VanDerWaalsContact OE2-CZ 3.26Å; E259-R262 IonicContact OE2-NE 2.65Å; E259-R262 PolarHBondContact OE2-NE 2.97Å; E259-R262 IonicContact OE2-NH2 3.75Å; E259-R262 PolarHBondContact OE2-NH2 2.73Å; R262-Q265 PolarHBondContact O-N 3.44Å; R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3.14Å
263Q87.7Confident80.6Confident105 Ų10593.7 Ų93.749%0.49150%0.498SS..Hα-helixtrans-62.9-41.3172.7-72.6168.82.500112E259 N261 R266 A267E259-Q263 WeakPolarHBondContact O-CB 3.38Å; E259-Q263 VanDerWaalsContact O-CG 3.27Å; E259-Q263 WeakPolarHBondContact O-CG 3.27Å; E259-Q263 PolarHBondContact O-N 3.41Å; E259-Q263 PolarHBondContact OE1-NE2 3.35Å; N261-Q263 PolarHBondContact O-N 2.91Å; Q263-R266 PolarHBondContact O-N 3.33Å; Q263-A267 PolarHBondContact O-N 3.13Å
264R88.2Confident79.2Confident178 Ų17897.3 Ų97.367%0.67251%0.513SS*.Hα-helixtrans-64.2-43.3174.6-74.6173.5170.8-153.9-5.9112.5R260 N261 A267 Q268R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.37Å; R260-R264 VanDerWaalsContact O-N 3.11Å; N261-R264 WeakPolarHBondContact O-CB 3.48Å; N261-R264 PolarHBondContact O-N 3.1Å; R264-A267 PolarHBondContact O-N 2.91Å; R264-Q268 WeakPolarHBondContact O-CG 3.1Å; R264-Q268 PolarHBondContact O-N 3.44Å
265Q84.7Confident77.8Confident124 Ų124101.2 Ų101.258%0.57954%0.537SS*.Hα-helixtrans-60.6-44.5175.5-72.9170.5-31.400111.6N261 R262 A267 Q268 S269N261-Q265 WeakPolarHBondContact O-CG 3.5Å; N261-Q265 PolarHBondContact O-N 3.17Å; R262-Q265 PolarHBondContact O-N 3.44Å; Q265-A267 PolarHBondContact O-N 2.99Å; Q265-Q268 PolarHBondContact O-N 2.88Å; Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 2.96Å
266R86.2Confident76.7Confident152 Ų152109.2 Ų109.257%0.57457%0.571SS**Hα-helixtrans-62.5-37.4174.8-76.5179.4163.2-149.3-9.2113.4R262 Q263 Q268 S269 N270R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3.14Å; Q263-R266 PolarHBondContact O-N 3.33Å; R266-Q268 VanDerWaalsContact C-N 3.34Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-OG 2.77Å; R266-N270 PolarHBondContact O-N 3.36Å; R266-N270 PolarHBondContact O-OD1 3.21Å
267A84.6Confident75.3Confident68 Ų68112.7 Ų112.756%0.56259%0.589SS**Hα-helixtrans-67.6-35.5174.700000112Q263 R264 Q265Q263-A267 PolarHBondContact O-N 3.13Å; R264-A267 PolarHBondContact O-N 2.91Å; Q265-A267 PolarHBondContact O-N 2.99Å
268Q79.4Confident74Confident141 Ų141110.6 Ų110.666%0.65960%0.595SS**Hα-helixtrans-70.2-42.7176.4-73.1171.1-28.300112.3R264 Q265 R266 N270 S271R264-Q268 WeakPolarHBondContact O-CG 3.1Å; R264-Q268 PolarHBondContact O-N 3.44Å; Q265-Q268 PolarHBondContact O-N 2.88Å; R266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 2.84Å; Q268-S271 WeakPolarHBondContact O-CB 3.35Å; Q268-S271 PolarHBondContact O-N 2.84Å; Q268-S271 VanDerWaalsContact O-N 3.1Å
269S74.5Confident72.7Confident82 Ų82114.7 Ų114.757%0.57362%0.624SS**Hα-helixtrans-62.5-33.5178.555.70000113.2Q265 R266 S271Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 2.96Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-OG 2.77Å; S269-S271 PolarHBondContact O-N 3.05Å
270N67.9Low71.4Confident139 Ų139119.9 Ų119.974%0.74365%0.652SS**THydrogen-bonded Turntrans-79.1-3.3177.8-75.937.4000113.8R266 Q268 G272R266-N270 PolarHBondContact O-N 3.36Å; R266-N270 PolarHBondContact O-OD1 3.21Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 2.84Å; N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact O-N 3.13Å
271S63.4Low69.9Low92 Ų92124 Ų12464%0.64367%0.667SS**THydrogen-bonded Turntrans-86.88.7176.5-169.30000113.5Q268 S269 T273Q268-S271 WeakPolarHBondContact O-CB 3.35Å; Q268-S271 PolarHBondContact O-N 2.84Å; Q268-S271 VanDerWaalsContact O-N 3.1Å; S269-S271 PolarHBondContact O-N 3.05Å; S271-T273 VanDerWaalsContact C-N 3.26Å; S271-T273 PolarHBondContact O-N 2.98Å; S271-T273 VanDerWaalsContact O-N 3.15Å
272G58.3Low68.2Low66 Ų66124.9 Ų124.968%0.6868%0.684SS**  trans-72.31.4-169.100000117.2N270 T274N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact O-N 3.13Å; G272-T274 PolarHBondContact O-N 3.46Å
273T59.7Low67Low113 Ų113128.5 Ų128.569%0.69371%0.713SS**SBendtrans-76.383.4-179.349.60000112.4S271 S275S271-T273 VanDerWaalsContact C-N 3.26Å; S271-T273 PolarHBondContact O-N 2.98Å; S271-T273 VanDerWaalsContact O-N 3.15Å; T273-S275 PolarHBondContact O-N 2.85Å
274T56.1Low65.5Low147 Ų147133.4 Ų133.490%0.90273%0.727SS**SBendtrans37.858.4147.157.30000116.7G272G272-T274 PolarHBondContact O-N 3.46Å
275S58.1Low63.8Low101 Ų101130.4 Ų130.471%0.70673%0.73SS**  trans-127.4125.8157.146.50000108.3T273T273-S275 PolarHBondContact O-N 2.85Å
276K60.6Low62.2Low195 Ų195136 Ų13685%0.84875%0.746SS**  trans-58.1134.9171.1-74.9179.6176.6176.40107.1T278K276-T278 PolarHBondContact O-N 3.27Å
277P56.8Low60.7Low123 Ų123133.6 Ų133.680%0.79975%0.75SS**  trans-61.3106.4175.325.7-33000107.9P279P277-P279 WeakPolarHBondContact O-CD 3.3Å; P277-P279 VanDerWaalsContact O-N 3.16Å
278T59.8Low59Low124 Ų124134.1 Ų134.176%0.76176%0.762SS**  trans-59120.3168.435.70000106.1K276 I280K276-T278 PolarHBondContact O-N 3.27Å; T278-I280 PolarHBondContact O-N 2.68Å
279P57.2Low57.4Low118 Ų118132 Ų13277%0.76677%0.769SS**  trans-58130.7-17923.8-32.9000107.4P277 R281P277-P279 WeakPolarHBondContact O-CD 3.3Å; P277-P279 VanDerWaalsContact O-N 3.16Å; P279-R281 VanDerWaalsContact C-N 3.33Å; P279-R281 PolarHBondContact O-N 2.97Å
280I57.2Low55.9Low167 Ų167133.5 Ų133.586%0.85678%0.779SS**  trans-56.5103.1177.9-64.7176.1000106.3T278 A282T278-I280 PolarHBondContact O-N 2.68Å; I280-A282 PolarHBondContact O-N 3.13Å
281R55.1Low55.1Low237 Ų237134 Ų13489%0.89479%0.788SS**  trans-63.6104.3-169.7-170.1178.7-168.9175.44.7106.8P279 V283P279-R281 VanDerWaalsContact C-N 3.33Å; P279-R281 PolarHBondContact O-N 2.97Å; R281-V283 PolarHBondContact O-N 3.16Å; R281-V283 VanDerWaalsContact O-N 3.1Å
282A53.5Low54.3Low87 Ų87134.9 Ų134.972%0.71979%0.794SS**  trans-47.4121.8-170.100000109.2I280 R284I280-A282 PolarHBondContact O-N 3.13Å; A282-R284 PolarHBondContact O-N 2.96Å
283V57.6Low53.5Low139 Ų139139.2 Ų139.284%0.84280%0.801SS**  trans-59103.3-172.71770000107.5R281 P285R281-V283 PolarHBondContact O-N 3.16Å; R281-V283 VanDerWaalsContact O-N 3.1Å; V283-P285 WeakPolarHBondContact O-CD 3.14Å
284R56.7Low53Low209 Ų209139.6 Ų139.679%0.78980%0.803SS**  trans-58.1124.6-166.6-167.8-178-169.6-155.53.7108.3A282 R286A282-R284 PolarHBondContact O-N 2.96Å; R284-R286 PolarHBondContact O-N 3.24Å
285P52.1Low52.5Low114 Ų114140.3 Ų140.374%0.7480%0.796SS**  trans-52.4118.2178.5-28.435.6000109.9V283 P287V283-P285 WeakPolarHBondContact O-CD 3.14Å; P285-P287 WeakPolarHBondContact O-CD 3.17Å; P285-P287 VanDerWaalsContact O-N 3.11Å
286R51.9Low51.6Low243 Ų243141.7 Ų141.792%0.91779%0.791SS**  trans-58.6110-175.4176.8-179.7167.6-150.5-2.7109.3R284R284-R286 PolarHBondContact O-N 3.24Å
287P55.3Low51Low100 Ų100138.4 Ų138.465%0.64978%0.779SS**  trans-71.5154.4-174-18.533.2000112.5P285P285-P287 WeakPolarHBondContact O-CD 3.17Å; P285-P287 VanDerWaalsContact O-N 3.11Å
288G47.8Very low50.3Low79 Ų79140.1 Ų140.181%0.81478%0.776SS**  trans52.995.1151.100000117.8
289A46.2Very low49.5Very low98 Ų98145.5 Ų145.581%0.8178%0.783SS**  trans-82.1119.4153.800000109.4
290S43.8Very low48.9Very low113 Ų113144.9 Ų144.979%0.7978%0.778SS**  trans33101.8151.3-53.10000119
291T49.7Very low48.2Very low150 Ų150141.5 Ų141.592%0.9277%0.769SS**  trans-129.3121.9143440000108.5
292S46Very low47.5Very low110 Ų110137.5 Ų137.577%0.76977%0.766SS**  trans-114.1140-177.850.40000109.7
293N43.3Very low46.9Very low156 Ų156138.6 Ų138.683%0.83477%0.768SS**  trans-170164.1156.9-104.9-6.2000111.5
294V48.3Very low46.2Very low121 Ų121141.7 Ų141.773%0.73377%0.765SS**  trans70.5105.3179.1-1620000111.7
295Q44.6Very low45.6Very low163 Ų163140.4 Ų140.476%0.76277%0.768SS**  62.2139.975.2-62.6-172.9-98.100112.5
296E40.4Very low45Very low129 Ų129138.2 Ų138.260%0.60377%0.766SS**  cis-163.2168.2-1.2-152.588.6-152.400107.6
297Q47.2Very low44.6Very low127 Ų127131.8 Ų131.859%0.59376%0.758SS**  cis-148.8178.1-10.6-149.8163.587.200109.9
298H43Very low44.1Very low159 Ų159135.5 Ų135.574%0.73677%0.767SS**  trans68.3157164.6-49.7-54.9000117.5
299R43.5Very low43.9Very low237 Ų237138.5 Ų138.589%0.89477%0.77SS**  cis-154.7163.9-47.6-124.5-156.8152.4170.9-7106.3
300P43.7Very low43.7Very low104 Ų104140 Ų14068%0.67577%0.768SS**  trans-115172.2-157.840.6-34.1000115.6
301S43.2Very low43.6Very low96 Ų96142.1 Ų142.167%0.67177%0.771SS**  151.1136121.4-67.40000115.7
302N40.4Very low43Very low154 Ų154143.6 Ų143.682%0.82476%0.76SS**  trans76.1147.9139.6-71.3-13.2000124.2
303S40Very low43.3Very low109 Ų109146.1 Ų146.176%0.76277%0.765SS**  trans70.4142.9164-73.60000118.6
304R43.9Very low43.5Very low205 Ų205145.3 Ų145.377%0.77476%0.756SS**  cis161.3120-24-111.9-174.5-179.8-161.73.2104.1
305Q43.6Very low43.7Very low181 Ų181147.6 Ų147.685%0.84676%0.762SS**  trans62.1151147.9-62.7168.5-40.100119.7
306G39.5Very low43.4Very low68 Ų68144.9 Ų144.970%0.70176%0.757SS**  trans129.870.3-17300000110.7
307S42.6Very low43.9Very low108 Ų108145.4 Ų145.476%0.75577%0.769SS**  70.6106.578.1-64.20000114.6
308Q45.6Very low43.6Very low179 Ų179147.9 Ų147.984%0.83678%0.781SS**  trans45.7123141.2-51.7179.417.200119.5
309T43.3Very low43.6Very low142 Ų142145.8 Ų145.887%0.87178%0.784SS**  -167.5168.6104.718.80000112.1
310T42.6Very low43.5Very low128 Ų128139.1 Ų139.179%0.78577%0.774SS**  trans-80151.8-175.750.90000113.5
311N42.1Very low43.7Very low158 Ų158140.7 Ų140.785%0.84578%0.781SS**  -149.1157.1127-136-32.1000113.7
312R37Very low43.9Very low181 Ų181143 Ų14368%0.68379%0.791SS**  trans-132.8131.1-175.1161.9-175171.1172.8-2.9107.7
313N51.8Low43.9Very low164 Ų164138.9 Ų138.988%0.87779%0.785SS**  trans-136.2138.3163-97.8-31.9000110.7
314Q46.8Very low44.2Very low139 Ų139140.4 Ų140.465%0.6579%0.79SS**  trans-120.1139.1173.7-66.8173.2-62.600106.9
315I51.8Low44Very low169 Ų169134.7 Ų134.787%0.86779%0.786SS**  trans-128.8129.9164.6-63.4-177.9000107.2
316T40Very low44Very low106 Ų106131.6 Ų131.665%0.6579%0.785SS**  trans-123.3133.8-176.4-620000108.9Q318T316-Q318 HydrophobicContact CG2-CG 4.16Å
317T50.3Low44Very low140 Ų140134.2 Ų134.286%0.85978%0.783SS**  trans-131.7156.7157.643.10000109.1
318Q41Very low44.1Very low179 Ų179135.2 Ų135.284%0.83678%0.784SS**  trans-127.3-177.7-159.9-58.8-179-2.900112.6T316T316-Q318 HydrophobicContact CG2-CG 4.16Å
319S43Very low44.1Very low114 Ų114133.4 Ų133.480%0.79778%0.776SS**  trans97.4148.5162.2-159.80000117.9
320S42.1Very low44.1Very low98 Ų98133.1 Ų133.169%0.68577%0.769SS**  -174.7139.3-61.651.80000111.1
321V47.6Very low43.9Very low137 Ų137133.5 Ų133.583%0.8377%0.766SS**  trans168.3124.9150-87.40000105.9
322V46.7Very low43.5Very low143 Ų143137.3 Ų137.387%0.86777%0.769SS**  66.8121.656.6-176.30000112.1
323G40.7Very low43.9Very low68 Ų68134.5 Ų134.570%0.70177%0.772SS**  cis-158.1-159.4-4.100000109.3
324T45.7Very low43.3Very low142 Ų142132.8 Ų132.887%0.87177%0.768SS**  cis-152.7178.43.747.30000111.2
325A40Very low43.1Very low84 Ų84138 Ų13869%0.69478%0.781SS**  trans-39.4166.6178.300000118.6
326S43.1Very low42.5Very low117 Ų117134.9 Ų134.982%0.81878%0.775SS**  cis-151.3162.733.9-55.20000117.3
327D39.5Very low42.5Very low123 Ų123140.9 Ų140.966%0.65879%0.786SS**  trans-67.3168.9179.2-52-104.9000114.8
328T44.2Very low42Very low129 Ų129139.4 Ų139.479%0.79178%0.778SS**  -161.711783.1-54.30000107
329Q47Very low41.9Very low140 Ų140139.8 Ų139.865%0.65478%0.777SS**  46.5139.893.3-63.4-17424.200114.6
330N42.5Very low41.8Very low136 Ų136140.2 Ų140.273%0.72778%0.777SS**  cis-156.1175.7-8.1-98-31.3000106.2
331N39.8Very low41.6Very low137 Ų137141.1 Ų141.173%0.73378%0.784SS**  cis-149.7179.311-159-18.8000109.3
332R32.3Very low41.3Very low237 Ų237139 Ų13989%0.89478%0.78SS**  trans-146.498.1172.5-169.6-173.1-162.2176.56.9112.2
333T46.4Very low40.9Very low123 Ų123137 Ų13776%0.75578%0.778SS**  trans-120.7137.4-178.5-50.10000112.4
334T38.6Very low40.8Very low128 Ų128138.7 Ų138.779%0.78579%0.786SS**  trans-104128.7-178.251.30000112.6
335R42.2Very low40.5Very low248 Ų248137.5 Ų137.594%0.93678%0.779SS**  trans-154.2171.7152.1-146.5106.5-172.5-94.11.5112
336S40.1Very low40.5Very low104 Ų104145 Ų14573%0.72779%0.791SS**  trans-90.8155.1-158.647.50000116.9
337R38.9Very low40.2Very low232 Ų232143.5 Ų143.588%0.87579%0.786SS**  trans-32.9152.2150.5-160.4170.4168.7-104.2-0.4112.1
338P41.3Very low40Very low108 Ų108144.6 Ų144.670%0.70180%0.797SS**  cis-154.3165.543.644.6-24000122.4
339K38.4Very low39.5Very low188 Ų188143.4 Ų143.482%0.81779%0.794SS**  trans64122.4144.1-166-179.4-178.3-172.20120.5
340P40.1Very low39.1Very low122 Ų122143 Ų14379%0.79280%0.801SS**  trans-91.7166.9165.537.6-34000113.6
341S38Very low38.7Very low118 Ų118142.3 Ų142.383%0.82580%0.802SS**  trans-153.5170171.4-165.70000110.3
342A41.4Very low38.3Very low91 Ų91140.6 Ų140.675%0.75280%0.801SS**  trans63.6125.5-169.100000113.9
343A37.9Very low38.7Very low101 Ų101135.7 Ų135.784%0.83580%0.797SS**  cis99.9111.42300000114
344A40.2Very low38.1Very low105 Ų105137.2 Ų137.287%0.86880%0.801SS**  trans-147.1128.2160.100000107.3
345T39.6Very low37.8Very low117 Ų117142.7 Ų142.772%0.71881%0.807SS**  trans-106.5136.9-167.8-56.60000111.2
346Y39.8Very low37.4Very low241 Ų241137.2 Ų137.295%0.94580%0.801SS**  trans-142.3138.8141.7-87.6-70.9000109
347A35.2Very low37.4Very low86 Ų86138 Ų13871%0.71180%0.802SS**  trans-149.3141-172.100000111.2
348T35.8Very low37.4Very low145 Ų145134 Ų13489%0.8980%0.798SS**  trans-143.6122.6163-33.80000109
349S34.7Very low37.1Very low105 Ų105133.3 Ų133.373%0.73480%0.801SS**  trans-70172.4166.6-48.10000109.5
350T37.7Very low37.2Very low130 Ų130130.6 Ų130.680%0.79880%0.803SS**  cis-151178.427.748.30000109.1
351T35.1Very low37Very low123 Ų123131.1 Ų131.176%0.75580%0.803SS**  cis-163.4154-35.3-81.50000105.7
352S31.2Very low37Very low101 Ų101132.2 Ų132.271%0.70680%0.8SS**  trans-112.1139179.5-179.80000112.8
353T41.1Very low37Very low133 Ų133134.7 Ų134.782%0.81680%0.796SS**  trans-137.693.7172.741.10000111.4
354N32.5Very low36.8Very low155 Ų155139.2 Ų139.283%0.82979%0.792SS**  trans-71.5132.1165.6-78.4-34.6000110.3
355R32.9Very low36.7Very low244 Ų244140.5 Ų140.592%0.92178%0.784SS**  trans-143.1118.1158.6-121.5-176.9-170.5-160.62.2112.3
356T33.9Very low36.6Very low132 Ų132144.2 Ų144.281%0.8179%0.793SS**  trans-77.2134.9174.6-45.90000110.8
357T40.7Very low36.4Very low121 Ų121138.9 Ų138.974%0.74279%0.789SS**  trans-160118.1152.417.30000112
358N37.9Very low36.2Very low149 Ų149139.9 Ų139.980%0.79779%0.791SS**  trans41.2132.6138-52.7-13.5000121.7
359A34.3Very low36.3Very low92 Ų92141 Ų14176%0.7679%0.79SS**  trans-75.9175.5164.500000112.4
360P41.8Very low36.5Very low132 Ų132141.1 Ų141.186%0.85779%0.791SS**  -141.5175.1100.740-27.9000116
361V35.8Very low36.3Very low132 Ų132143.7 Ų143.780%0.879%0.794SS**  trans-83.9142.6178.5164.40000112
362N37.5Very low36.3Very low142 Ų142144 Ų14476%0.75980%0.799SS**  trans-154.7168.9135.2-138.9-22000114.4
363Q40.4Very low36.4Very low142 Ų142144.4 Ų144.466%0.66480%0.802SS**  trans-80.7-180-176.3-54.815510.600110.4
364R35.7Very low36.4Very low197 Ų197143.2 Ų143.274%0.74380%0.8SS**  cis-177.3172.838.6-149.4-172.9179.5108.3-11.4110
365N37.1Very low36.9Very low132 Ų132142.5 Ų142.571%0.70680%0.796SS**  trans65.9125.4167.7-52.9-10.7000114.9
366Q37.1Very low37.5Very low194 Ų194138.7 Ų138.791%0.90779%0.788SS**  cis63.4108.939.8-60-165.314.500115.6
367C35.2Very low37.8Very low129 Ų129141.4 Ų141.487%0.87279%0.792SS**  trans-156.6146.8146.1-152.10000109.2
368S32.3Very low37.6Very low108 Ų108138.8 Ų138.876%0.75579%0.789SS**  trans-128.9133.8-176.4-57.40000110.1
369I37Very low37.5Very low168 Ų168143.6 Ų143.686%0.86280%0.795SS**  trans176.5142.8172.4-102.2148.5000106.4
370S39.2Very low37.7Very low107 Ų107145 Ų14575%0.74880%0.8SS**  cis-154.6173.3-12.154.10000109.6
371Q34.3Very low37.5Very low185 Ų185143.7 Ų143.786%0.86479%0.794SS**  trans-74.7156.4177.5-63.3162.7-29.200112.8
372C33.5Very low37.9Very low128 Ų128146 Ų14687%0.86580%0.796SS**  trans-146.1149147.659.70000110.1
373S34.5Very low38.2Very low110 Ų110147.3 Ų147.377%0.76980%0.797SS**  trans-151.9145.3-177.1-54.60000109.3
374S40.6Very low38.3Very low109 Ų109146.6 Ų146.676%0.76280%0.798SS**  trans173164.4147.1-84.40000113.6
375N43Very low38.5Very low140 Ų140142.4 Ų142.475%0.74979%0.79SS**  trans86.7110174.5-55.4-4.8000114.8
376Q45.2Very low38.7Very low163 Ų163143.2 Ų143.276%0.76279%0.79SS**  cis76140.847.3-64-174.73400114.1
377Q39.9Very low38.8Very low190 Ų190139.8 Ų139.889%0.88878%0.778SS**  cis-171.9153.3-29.9-124.51758.400109.9
378G38Very low39.2Very low65 Ų65140.5 Ų140.567%0.6777%0.768SS**  trans156.6128.5170.900000111.1
379R36Very low39.9Very low250 Ų250141.3 Ų141.394%0.94376%0.764SS**  71.6129.251.9-69.5-169170.3-161.4-3112.5
380S38.4Very low40.2Very low121 Ų121141.9 Ų141.985%0.84676%0.763SS**  cis-142.5-171.211.9-54.80000112.8
381S36.9Very low41Very low105 Ų105144.8 Ų144.873%0.73477%0.77SS**  trans-135.7151-171.7550000113.7
382E43.1Very low41.6Very low182 Ų182140.6 Ų140.685%0.8575%0.754SS**  trans-161.5132.2163.1-108.3142.4-158.400113.2
383H44.6Very low42.4Very low169 Ų169143 Ų14378%0.78276%0.757SS**  trans30.5157.4138.1-67.8-81.1000123.3
384N43.5Very low42.9Very low126 Ų126144.5 Ų144.567%0.67475%0.75SS**  cis-155.1173.49.8-142.319.7000117
385N38.3Very low42.9Very low109 Ų109147.5 Ų147.558%0.58375%0.751SS**  trans-32.3168.9153.6-70.123.1000119
386E41Very low42.7Very low149 Ų149148.7 Ų148.770%0.69676%0.756SS**  cis-168.9170.6-1.5-114.4162.6154.700112.5
387N40.8Very low42.2Very low123 Ų123146.7 Ų146.766%0.65876%0.756SS**  trans68.1163154.6-62.1-11.7000120
388H44Very low42.1Very low143 Ų143144.6 Ų144.666%0.66275%0.749SS**  cis-149.9159.92.6-123.6-62.5000110.7
389D45.5Very low42.1Very low126 Ų126147.3 Ų147.367%0.67476%0.758SS**  trans50.6129.4155.1-47.5-30.4000121
390E44.2Very low42.3Very low179 Ų179144.2 Ų144.284%0.83675%0.751SS**  cis76.4103.347-68-65.4159.200115.2
391D54.8Low42.2Very low169 Ų169144.3 Ų144.390%0.90475%0.749SS**  trans-161.3146.1144.4-135.1-22.3000111.7
392D47.6Very low42.3Very low97 Ų97141.8 Ų141.852%0.51973%0.731SS.*  trans-120.4120.4-160.1-177.23.3000112.4K394D392-K394 IonicContact OD1-NZ 2.58Å; D392-K394 PolarHBondContact OD1-NZ 3.23Å; D392-K394 IonicContact OD2-NZ 3.38Å; D392-K394 PolarHBondContact OD2-NZ 3.07Å
393L51.5Low42.7Very low177 Ų177139 Ų13993%0.92773%0.727SS**  trans-145.9136163.4-141.172.1000113.7
394K45.1Very low42.9Very low143 Ų143141 Ų14162%0.62273%0.727SS**  trans-111160.9-161.1-68.9179.6175.865.60113.6D392D392-K394 IonicContact OD1-NZ 2.58Å; D392-K394 PolarHBondContact OD1-NZ 3.23Å; D392-K394 IonicContact OD2-NZ 3.38Å; D392-K394 PolarHBondContact OD2-NZ 3.07Å
395H40Very low43.2Very low171 Ų171141.4 Ų141.479%0.79273%0.725SS**  trans62.4108.7160.9-77.7-147.7000117.9
396L38.6Very low43.7Very low165 Ų165141.8 Ų141.886%0.86473%0.728SS**  -167.5147.194.8-99.6165.4000112.8
397T34.9Very low44.5Very low121 Ų121138.4 Ų138.474%0.74272%0.717SS**  trans-72.6133.4-169.748.60000114.8
398I37.1Very low45.4Very low146 Ų146136 Ų13675%0.74971%0.706SS**  trans-149.5120.4137.3-95153.7000107.7K400I398-K400 HydrophobicContact CG2-CG 4.09Å; I398-K400 PolarHBondContact O-N 2.84Å
399S37.7Very low46.1Very low122 Ų122132.4 Ų132.485%0.85370%0.697SS**  trans-81.494.9-176.1-54.30000111.9
400K40.8Very low46.9Very low185 Ų185134.6 Ų134.680%0.80470%0.696SS**  trans-93.2129.1171.1-74.5176.4-178.9173.40111I398I398-K400 HydrophobicContact CG2-CG 4.09Å; I398-K400 PolarHBondContact O-N 2.84Å
401P36.7Very low48.2Very low123 Ų123130.9 Ų130.980%0.79968%0.682SS**  trans-75.6138.4177.930.1-34.1000112.8
402S39.4Very low49.1Very low52 Ų52129.4 Ų129.436%0.36467%0.668SS.*  trans39.787.5162.3-159.50000119.5E405S402-E405 WeakPolarHBondContact CB-OE2 3.36Å; S402-E405 WeakPolarHBondContact OG-CG 3.25Å; S402-E405 PolarHBondContact OG-N 2.89Å; S402-E405 PolarHBondContact OG-OE2 3.02Å
403T50.8Low50.6Low124 Ų124128.8 Ų128.876%0.76167%0.667SS**SBendtrans-82.8-18.3152.737.90000113.1
404R49.4Very low51.9Low210 Ų210124 Ų12479%0.79264%0.643SS**Hα-helixtrans-77.8-26.4-169-167170.6177168.8-1.6114.4T407R404-T407 PolarHBondContact O-OG1 3.29Å; R404-T407 VanDerWaalsContact O-OG1 3.08Å
405E48.7Very low53.7Low135 Ų135123.5 Ų123.563%0.63164%0.643SS**Hα-helixtrans-76.6-30.2176.5-69.4168119.800112.6S402 S409S402-E405 WeakPolarHBondContact CB-OE2 3.36Å; S402-E405 WeakPolarHBondContact OG-CG 3.25Å; S402-E405 PolarHBondContact OG-N 2.89Å; S402-E405 PolarHBondContact OG-OE2 3.02Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 2.83Å; E405-S409 PolarHBondContact O-OG 3.08Å
406N49.5Very low55.7Low118 Ų118117.6 Ų117.663%0.63162%0.621SS**Hα-helixtrans-68.1-37.7178.4-89.4-50000112.5R410N406-R410 VanDerWaalsContact O-CB 3.29Å; N406-R410 WeakPolarHBondContact O-CB 3.26Å; N406-R410 PolarHBondContact O-N 3.13Å
407T58Low57.7Low77 Ų77113.2 Ų113.247%0.47260%0.597SS.*Hα-helixtrans-68.7-45.6177.154.90000111.6R404 S409 R410 N411R404-T407 PolarHBondContact O-OG1 3.29Å; R404-T407 VanDerWaalsContact O-OG1 3.08Å; T407-S409 VanDerWaalsContact C-N 3.31Å; T407-S409 PolarHBondContact O-N 3.17Å; T407-R410 PolarHBondContact O-N 3.28Å; T407-N411 WeakPolarHBondContact O-CB 3.13Å; T407-N411 PolarHBondContact O-N 3.49Å; T407-N411 PolarHBondContact O-OD1 2.96Å
408V58.6Low60.2Low72 Ų72112.9 Ų112.944%0.43659%0.59SS.*Hα-helixtrans-58.8-43.2174.7176.10000111.2N411 K412V408-N411 PolarHBondContact O-N 2.91Å; V408-K412 WeakPolarHBondContact O-CG 3.3Å; V408-K412 PolarHBondContact O-N 3.24Å; V408-K412 VanDerWaalsContact O-N 3.08Å
409S60.1Low62.6Low68 Ų68108.8 Ų108.848%0.47658%0.577SS.*Hα-helixtrans-65.8-43.8178.1-58.80000112.2E405 T407 N411 K412 V413E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 2.83Å; E405-S409 PolarHBondContact O-OG 3.08Å; T407-S409 VanDerWaalsContact C-N 3.31Å; T407-S409 PolarHBondContact O-N 3.17Å; S409-N411 PolarHBondContact O-N 2.87Å; S409-K412 PolarHBondContact O-N 2.86Å; S409-V413 WeakPolarHBondContact O-CG2 3.26Å; S409-V413 PolarHBondContact O-N 2.72Å; S409-V413 VanDerWaalsContact O-N 3.08Å
410R61.2Low64.9Low173 Ų173110.5 Ų110.565%0.65357%0.565SS**Hα-helixtrans-64.5-38.8177.2-167.9175.4-176111.5-2.2111.9N406 T407 V413 N414N406-R410 VanDerWaalsContact O-CB 3.29Å; N406-R410 WeakPolarHBondContact O-CB 3.26Å; N406-R410 PolarHBondContact O-N 3.13Å; T407-R410 PolarHBondContact O-N 3.28Å; R410-V413 PolarHBondContact O-N 3.38Å; R410-N414 PolarHBondContact O-N 3.44Å
411N70.8Confident67.2Low101 Ų101110.6 Ų110.654%0.5456%0.561SS.*Hα-helixtrans-64.2-47.2176.6-70.1-1.2000111.5T407 V408 S409 V413 N414 E415T407-N411 WeakPolarHBondContact O-CB 3.13Å; T407-N411 PolarHBondContact O-N 3.49Å; T407-N411 PolarHBondContact O-OD1 2.96Å; V408-N411 PolarHBondContact O-N 2.91Å; S409-N411 PolarHBondContact O-N 2.87Å; N411-V413 VanDerWaalsContact C-N 3.29Å; N411-V413 PolarHBondContact O-N 2.76Å; N411-N414 PolarHBondContact O-N 3.33Å; N411-N414 VanDerWaalsContact O-N 3.16Å; N411-E415 WeakPolarHBondContact O-CB 3.42Å; N411-E415 PolarHBondContact O-N 2.7Å
412K75.6Confident69.9Low138 Ų138112 Ų11260%0.655%0.554SS**Hα-helixtrans-59.1-36.8174.5-73.1-179.5177.1-174.70113V408 S409 S416V408-K412 WeakPolarHBondContact O-CG 3.3Å; V408-K412 PolarHBondContact O-N 3.24Å; V408-K412 VanDerWaalsContact O-N 3.08Å; S409-K412 PolarHBondContact O-N 2.86Å; K412-S416 VanDerWaalsContact O-CB 3.23Å; K412-S416 WeakPolarHBondContact O-CB 3.44Å; K412-S416 PolarHBondContact O-N 2.9Å
413V77.1Confident72.3Confident84 Ų84112.5 Ų112.551%0.50956%0.562SS.*Hα-helixtrans-67.4-44.8174.9170.30000111.4S409 R410 N411 S416 I417S409-V413 WeakPolarHBondContact O-CG2 3.26Å; S409-V413 PolarHBondContact O-N 2.72Å; S409-V413 VanDerWaalsContact O-N 3.08Å; R410-V413 PolarHBondContact O-N 3.38Å; N411-V413 VanDerWaalsContact C-N 3.29Å; N411-V413 PolarHBondContact O-N 2.76Å; V413-S416 PolarHBondContact O-N 2.84Å; V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.45Å; V413-I417 PolarHBondContact O-N 3.24Å
414N80.7Confident74.3Confident76 Ų76110.9 Ų110.941%0.40655%0.551SS.*Hα-helixtrans-62.1-47177-71.7-11.5000111.7R410 N411 S416 I417 I418R410-N414 PolarHBondContact O-N 3.44Å; N411-N414 PolarHBondContact O-N 3.33Å; N411-N414 VanDerWaalsContact O-N 3.16Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 2.85Å; N414-I417 WeakPolarHBondContact O-CB 3.42Å; N414-I417 PolarHBondContact O-N 3.38Å; N414-I417 VanDerWaalsContact O-N 3.07Å; N414-I418 WeakPolarHBondContact O-CG1 3.45Å; N414-I418 PolarHBondContact O-N 3.44Å
415E81Confident76.3Confident133 Ų133106 Ų10662%0.62154%0.537SS*.Hα-helixtrans-57.9-44.1175.3-174.9175.4-155.800111.5N411 I417 I418 A419N411-E415 WeakPolarHBondContact O-CB 3.42Å; N411-E415 PolarHBondContact O-N 2.7Å; E415-I417 VanDerWaalsContact C-N 3.28Å; E415-I417 PolarHBondContact O-N 2.76Å; E415-I418 PolarHBondContact O-N 3.23Å; E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3Å
416S82.1Confident78.4Confident47 Ų47101 Ų10133%0.32952%0.519SS..Hα-helixtrans-64.4-27.5175-169.90000113.9K412 V413 N414 R420K412-S416 VanDerWaalsContact O-CB 3.23Å; K412-S416 WeakPolarHBondContact O-CB 3.44Å; K412-S416 PolarHBondContact O-N 2.9Å; V413-S416 PolarHBondContact O-N 2.84Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 2.85Å; S416-R420 WeakPolarHBondContact O-CB 3.42Å; S416-R420 WeakPolarHBondContact O-CG 3.45Å; S416-R420 PolarHBondContact O-N 3.15Å; S416-R420 PolarHBondContact O-NE 2.96Å; S416-R420 PolarHBondContact OG-NH2 3.37Å
417I81.8Confident80.3Confident72 Ų7298 Ų9837%0.36951%0.511SS..Hα-helixtrans-76.7-41.9173.5-69.4163.1000110.6V413 N414 E415 R420 R421V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.45Å; V413-I417 PolarHBondContact O-N 3.24Å; N414-I417 WeakPolarHBondContact O-CB 3.42Å; N414-I417 PolarHBondContact O-N 3.38Å; N414-I417 VanDerWaalsContact O-N 3.07Å; E415-I417 VanDerWaalsContact C-N 3.28Å; E415-I417 PolarHBondContact O-N 2.76Å; I417-R420 PolarHBondContact O-N 2.88Å; I417-R421 PolarHBondContact O-N 3.39Å
418I87.7Confident82Confident114 Ų11499.9 Ų99.959%0.58552%0.517SS*.Hα-helixtrans-63.5-47.6176.8-66.6163.4000110.4N414 E415 R420 R421 K422N414-I418 WeakPolarHBondContact O-CG1 3.45Å; N414-I418 PolarHBondContact O-N 3.44Å; E415-I418 PolarHBondContact O-N 3.23Å; I418-R420 VanDerWaalsContact C-N 3.31Å; I418-R420 PolarHBondContact O-N 2.94Å; I418-R421 PolarHBondContact O-N 3.43Å; I418-K422 PolarHBondContact O-N 2.88Å
419A87.1Confident83.7Confident60 Ų60101.6 Ų101.650%0.49652%0.521SS..Hα-helixtrans-58.2-42.3176.400000112E415 K422 A423E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3Å; A419-K422 PolarHBondContact O-N 3.21Å; A419-A423 WeakPolarHBondContact O-CB 3.19Å; A419-A423 PolarHBondContact O-N 3.02Å
420R85.6Confident85.1Confident158 Ų158107.1 Ų107.160%0.59653%0.531SS*.Hα-helixtrans-64.7-41.2175.3-82.4-179.6-96.7-169.4-10.6113S416 I417 I418 A423 V424S416-R420 WeakPolarHBondContact O-CB 3.42Å; S416-R420 WeakPolarHBondContact O-CG 3.45Å; S416-R420 PolarHBondContact O-N 3.15Å; S416-R420 PolarHBondContact O-NE 2.96Å; S416-R420 PolarHBondContact OG-NH2 3.37Å; I417-R420 PolarHBondContact O-N 2.88Å; I418-R420 VanDerWaalsContact C-N 3.31Å; I418-R420 PolarHBondContact O-N 2.94Å; R420-A423 PolarHBondContact O-N 3.18Å; R420-V424 WeakPolarHBondContact O-CG2 3.34Å; R420-V424 PolarHBondContact O-N 3.23Å; R420-V424 VanDerWaalsContact O-N 3.13Å
421R90.2Very high86.4Confident188 Ų188101 Ų10171%0.70952%0.518SS*.Hα-helixtrans-61-50.4174.3-76.9180170.4-173.8-3.9111.3I417 I418 A423 V424 E425I417-R421 PolarHBondContact O-N 3.39Å; I418-R421 PolarHBondContact O-N 3.43Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3.11Å; R421-V424 PolarHBondContact O-N 2.92Å; R421-V424 VanDerWaalsContact O-N 3.14Å; R421-E425 PolarHBondContact O-N 3.45Å
422K93.3Very high87.4Confident152 Ų15298.7 Ų98.766%0.66151%0.513SS*.Hα-helixtrans-61.1-35.2178.9-169.2171.8-176.2174.70112.7I418 A419 A426I418-K422 PolarHBondContact O-N 2.88Å; A419-K422 PolarHBondContact O-N 3.21Å; K422-A426 VanDerWaalsContact O-CB 3.27Å; K422-A426 WeakPolarHBondContact O-CB 3.5Å; K422-A426 PolarHBondContact O-N 3.1Å
423A89Confident88.1Confident63 Ų6397.5 Ų97.552%0.52151%0.512SS..Hα-helixtrans-67.9-3917500000113.1A419 R420 R421 A427A419-A423 WeakPolarHBondContact O-CB 3.19Å; A419-A423 PolarHBondContact O-N 3.02Å; R420-A423 PolarHBondContact O-N 3.18Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3.11Å; A423-A427 WeakPolarHBondContact O-CB 3.3Å; A423-A427 PolarHBondContact O-N 3.36Å; A423-A427 VanDerWaalsContact O-N 3.13Å
424V92.4Very high88.7Confident90 Ų9096.7 Ų96.755%0.54551%0.511SS..Hα-helixtrans-68.2-44.3175171.40000110.9R420 R421 A427 L428R420-V424 WeakPolarHBondContact O-CG2 3.34Å; R420-V424 PolarHBondContact O-N 3.23Å; R420-V424 VanDerWaalsContact O-N 3.13Å; R421-V424 PolarHBondContact O-N 2.92Å; R421-V424 VanDerWaalsContact O-N 3.14Å; V424-A427 WeakPolarHBondContact O-CB 3.43Å; V424-A427 PolarHBondContact O-N 3.22Å; V424-A427 VanDerWaalsContact O-N 3.11Å; V424-L428 HydrophobicContact CG1-CD1 4.16Å; V424-L428 WeakPolarHBondContact O-CG 3.29Å; V424-L428 PolarHBondContact O-N 3.16Å
425E92.7Very high88.9Confident107 Ų10797.6 Ų97.650%0.552%0.515SS..Hα-helixtrans-58.7-48.3176.1-172.4-176.1171.600111.8R421 A427 L428 Q429R421-E425 PolarHBondContact O-N 3.45Å; E425-A427 PolarHBondContact O-N 2.78Å; E425-L428 PolarHBondContact O-N 3.03Å; E425-Q429 WeakPolarHBondContact O-CG 3.4Å; E425-Q429 PolarHBondContact O-N 3.44Å
426A91.3Very high89.1Confident29 Ų2994.5 Ų94.524%0.2451%0.505CS..Hα-helixtrans-68-15.5176.600000114K422 R430K422-A426 VanDerWaalsContact O-CB 3.27Å; K422-A426 WeakPolarHBondContact O-CB 3.5Å; K422-A426 PolarHBondContact O-N 3.1Å; A426-R430 VanDerWaalsContact O-CG 3.3Å; A426-R430 WeakPolarHBondContact O-CG 3.32Å; A426-R430 PolarHBondContact O-NE 2.98Å
427A90.8Very high89.2Confident56 Ų5696.8 Ų96.846%0.46351%0.513SS..Hα-helixtrans-83.8-41.2170.400000111.4A423 V424 E425 R430 A431A423-A427 WeakPolarHBondContact O-CB 3.3Å; A423-A427 PolarHBondContact O-N 3.36Å; A423-A427 VanDerWaalsContact O-N 3.13Å; V424-A427 WeakPolarHBondContact O-CB 3.43Å; V424-A427 PolarHBondContact O-N 3.22Å; V424-A427 VanDerWaalsContact O-N 3.11Å; E425-A427 PolarHBondContact O-N 2.78Å; A427-R430 PolarHBondContact O-N 2.93Å; A427-A431 PolarHBondContact O-N 3.26Å
428L93.2Very high89.3Confident116 Ų11698 Ų9861%0.60752%0.517SS*.Hα-helixtrans-63.4-41.3174.5-69170.3000111.9V424 E425 R430 A431 A432V424-L428 HydrophobicContact CG1-CD1 4.16Å; V424-L428 WeakPolarHBondContact O-CG 3.29Å; V424-L428 PolarHBondContact O-N 3.16Å; E425-L428 PolarHBondContact O-N 3.03Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.37Å; L428-A431 PolarHBondContact O-N 2.99Å; L428-A432 PolarHBondContact O-N 3.24Å
429Q93.3Very high89Confident109 Ų10999 Ų9951%0.50952%0.519SS..Hα-helixtrans-60.7-39.9173.9-71.9172.4-2.300112.1E425 L433E425-Q429 WeakPolarHBondContact O-CG 3.4Å; E425-Q429 PolarHBondContact O-N 3.44Å; Q429-L433 WeakPolarHBondContact O-CB 3.38Å; Q429-L433 WeakPolarHBondContact O-CG 3.31Å; Q429-L433 PolarHBondContact O-N 2.68Å
430R89.9Confident88.6Confident183 Ų183102 Ų10269%0.69152%0.523SS*.Hα-helixtrans-67.8-37.5175.1-73.1177.5-135.6-155.4-1.3112.7A426 A427 L428 S434A426-R430 VanDerWaalsContact O-CG 3.3Å; A426-R430 WeakPolarHBondContact O-CG 3.32Å; A426-R430 PolarHBondContact O-NE 2.98Å; A427-R430 PolarHBondContact O-N 2.93Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.37Å; R430-S434 WeakPolarHBondContact O-CB 3.39Å; R430-S434 PolarHBondContact O-N 3.04Å
431A89.9Confident88.2Confident46 Ų4699.9 Ų99.938%0.3852%0.522SS..Hα-helixtrans-61.8-51.6174.400000110.7A427 L428 L433 S434 D435A427-A431 PolarHBondContact O-N 3.26Å; L428-A431 PolarHBondContact O-N 2.99Å; A431-L433 VanDerWaalsContact C-N 3.31Å; A431-L433 PolarHBondContact O-N 3.37Å; A431-S434 CarbonylContact O-C 3.51Å; A431-S434 WeakPolarHBondContact O-CA 3.43Å; A431-S434 VanDerWaalsContact O-CB 3.31Å; A431-S434 WeakPolarHBondContact O-CB 3.45Å; A431-S434 PolarHBondContact O-N 2.99Å; A431-D435 VanDerWaalsContact O-CG 3.3Å; A431-D435 PolarHBondContact O-N 3.28Å
432A90.1Very high87.5Confident52 Ų5297.6 Ų97.643%0.4352%0.52SS..Hα-helixtrans-59.8-37.9178.300000113.3L428 T436L428-A432 PolarHBondContact O-N 3.24Å; A432-T436 WeakPolarHBondContact O-CB 3.5Å; A432-T436 PolarHBondContact O-N 3Å; A432-T436 PolarHBondContact O-OG1 2.98Å
433L91.6Very high86Confident112 Ų11293 Ų9359%0.58652%0.515SS*.Hα-helixtrans-67.2-39.2172.8-72.6171.6000112.1Q429 A431 T436 I437Q429-L433 WeakPolarHBondContact O-CB 3.38Å; Q429-L433 WeakPolarHBondContact O-CG 3.31Å; Q429-L433 PolarHBondContact O-N 2.68Å; A431-L433 VanDerWaalsContact C-N 3.31Å; A431-L433 PolarHBondContact O-N 3.37Å; L433-T436 PolarHBondContact O-N 3.3Å; L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.49Å; L433-I437 PolarHBondContact O-N 2.85Å
434S88.8Confident84.4Confident68 Ų6895.7 Ų95.748%0.47652%0.521SS..Hα-helixtrans-62.7-44.7174.1-164.40000111.5R430 A431 T436 I437 Q438R430-S434 WeakPolarHBondContact O-CB 3.39Å; R430-S434 PolarHBondContact O-N 3.04Å; A431-S434 CarbonylContact O-C 3.51Å; A431-S434 WeakPolarHBondContact O-CA 3.43Å; A431-S434 VanDerWaalsContact O-CB 3.31Å; A431-S434 WeakPolarHBondContact O-CB 3.45Å; A431-S434 PolarHBondContact O-N 2.99Å; S434-T436 VanDerWaalsContact C-N 3.31Å; S434-T436 PolarHBondContact O-N 2.78Å; S434-I437 PolarHBondContact O-N 2.74Å; S434-Q438 WeakPolarHBondContact O-CB 3.36Å; S434-Q438 PolarHBondContact O-N 2.86Å
435D85Confident82.6Confident95 Ų9596.8 Ų96.851%0.50853%0.53SS..Hα-helixtrans-64.1-36.9177.5-62-28000111.3A431 Q438 Q439A431-D435 VanDerWaalsContact O-CG 3.3Å; A431-D435 PolarHBondContact O-N 3.28Å; D435-Q438 WeakPolarHBondContact O-CB 3.48Å; D435-Q438 PolarHBondContact O-N 3.44Å; D435-Q439 VanDerWaalsContact O-CG 3.32Å; D435-Q439 WeakPolarHBondContact O-CG 3.32Å; D435-Q439 PolarHBondContact O-N 3.47Å
436T85.9Confident80.8Confident67 Ų6799.5 Ų99.541%0.41155%0.547SS..Hα-helixtrans-65.4-44174.7-55.50000111.6A432 L433 S434 Q439 Q440A432-T436 WeakPolarHBondContact O-CB 3.5Å; A432-T436 PolarHBondContact O-N 3Å; A432-T436 PolarHBondContact O-OG1 2.98Å; L433-T436 PolarHBondContact O-N 3.3Å; S434-T436 VanDerWaalsContact C-N 3.31Å; S434-T436 PolarHBondContact O-N 2.78Å; T436-Q439 PolarHBondContact O-N 3.45Å; T436-Q440 WeakPolarHBondContact O-CG 3.4Å; T436-Q440 PolarHBondContact O-N 2.97Å
437I84.9Confident78.8Confident96 Ų96104 Ų10449%0.49257%0.574SS.*Hα-helixtrans-64.9-41.3176-68.9163.3000110.5L433 S434 Q439 Q440 I441L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.49Å; L433-I437 PolarHBondContact O-N 2.85Å; S434-I437 PolarHBondContact O-N 2.74Å; I437-Q439 PolarHBondContact O-N 3.18Å; I437-Q440 PolarHBondContact O-N 3.42Å; I437-I441 HydrophobicContact CG2-CD1 3.94Å; I437-I441 WeakPolarHBondContact O-CG1 3.44Å; I437-I441 PolarHBondContact O-N 3.01Å
438Q82.2Confident76.4Confident96 Ų96112.6 Ų112.645%0.44961%0.612SS.*Hα-helixtrans-58.1-47.1175.5-165.573.229.800111S434 D435 Q440 I441 E442S434-Q438 WeakPolarHBondContact O-CB 3.36Å; S434-Q438 PolarHBondContact O-N 2.86Å; D435-Q438 WeakPolarHBondContact O-CB 3.48Å; D435-Q438 PolarHBondContact O-N 3.44Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.21Å; Q438-I441 PolarHBondContact O-N 2.96Å; Q438-E442 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E442 PolarHBondContact NE2-OE1 3.05Å; Q438-E442 PolarHBondContact O-N 2.83Å
439Q81.3Confident75.6Confident136 Ų136112.4 Ų112.464%0.63661%0.612SS**Hα-helixtrans-64.8-33.4175.8-71.8173.122.100113.3D435 T436 I437 I441 G443D435-Q439 VanDerWaalsContact O-CG 3.32Å; D435-Q439 WeakPolarHBondContact O-CG 3.32Å; D435-Q439 PolarHBondContact O-N 3.47Å; T436-Q439 PolarHBondContact O-N 3.45Å; I437-Q439 PolarHBondContact O-N 3.18Å; Q439-I441 VanDerWaalsContact C-N 3.34Å; Q439-G443 WeakPolarHBondContact O-CA 3.36Å; Q439-G443 PolarHBondContact O-N 3.38Å
440Q78.9Confident74.6Confident123 Ų123112.6 Ų112.658%0.57562%0.618SS**Hα-helixtrans-70.4-28.9174.8-75178.3-17.300113.1T436 I437 Q438 N444T436-Q440 WeakPolarHBondContact O-CG 3.4Å; T436-Q440 PolarHBondContact O-N 2.97Å; I437-Q440 PolarHBondContact O-N 3.42Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.21Å; Q440-N444 PolarHBondContact O-ND2 2.89Å
441I78Confident73.8Confident113 Ų113108.7 Ų108.758%0.57961%0.614SS**Hα-helixtrans-76-45.8174-66.7163.9000110.3I437 Q438 Q439I437-I441 HydrophobicContact CG2-CD1 3.94Å; I437-I441 WeakPolarHBondContact O-CG1 3.44Å; I437-I441 PolarHBondContact O-N 3.01Å; Q438-I441 PolarHBondContact O-N 2.96Å; Q439-I441 VanDerWaalsContact C-N 3.34Å
442E74.4Confident72.8Confident140 Ų140112.4 Ų112.465%0.65463%0.627SS**Hα-helixtrans-76.7-25.6-177.8-69172.3-163.400113.1Q438Q438-E442 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E442 PolarHBondContact NE2-OE1 3.05Å; Q438-E442 PolarHBondContact O-N 2.83Å
443G63.6Low71.7Confident55 Ų55116.1 Ų116.157%0.56764%0.64SS**THydrogen-bonded Turntrans-83.3-2.3-179.300000116.1Q439 P445Q439-G443 WeakPolarHBondContact O-CA 3.36Å; Q439-G443 PolarHBondContact O-N 3.38Å; G443-P445 WeakPolarHBondContact O-CD 3.18Å
444N55Low70.4Confident121 Ų121116.4 Ų116.465%0.64764%0.643SS**  trans-106.488175.4-84.2-72.4000110.9Q440 L446Q440-N444 PolarHBondContact O-ND2 2.89Å; N444-L446 PolarHBondContact O-N 3.25Å
445P54.1Low69.1Low113 Ų113119.9 Ų119.973%0.73466%0.655SS**  trans-62.8122.3163.628.1-32.7000108.6G443G443-P445 WeakPolarHBondContact O-CD 3.18Å
446L54.1Low67.9Low164 Ų164121.8 Ų121.886%0.85967%0.666SS**  trans-58.4130.5176.2-73.6168.2000109.7N444 N448N444-L446 PolarHBondContact O-N 3.25Å; L446-N448 PolarHBondContact O-N 3.13Å; L446-N448 VanDerWaalsContact O-N 3.13Å
447P50.9Low66.4Low124 Ų124126.3 Ų126.381%0.80569%0.688SS**  trans-75.9104.917929.3-33.1000110.9
448N39.4Very low64.7Low235 Ų235129.1 Ų129.1100%1.25771%0.706SS**  trans76.10168-153.852.6000116.1L446L446-N448 PolarHBondContact O-N 3.13Å; L446-N448 VanDerWaalsContact O-N 3.13Å

Retrieved 448 of 448 residues in 63.8 ms (Link to these results)