A0A060XKS9_ONCMY Loading...

UBX domain protein 8

AlphaFold DB , UniProt , Accession A0A060XKS9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ubxn8, Length 297 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
1M50.9Low67.4Low221 Ų221113 Ų113100%1.08962%0.624SS**  010.20-75.6159.373.700114.8
2S54.5Low68.4Low92 Ų92109.1 Ų109.164%0.64361%0.606SS**  trans-95.2-23.2176.270.10000114.5S4 K5 T6S2-S4 PolarHBondContact O-N 3.14Å; S2-K5 PolarHBondContact O-N 2.8Å; S2-T6 PolarHBondContact O-N 3.35Å
3S52.1Low69.7Low92 Ų92109.1 Ų109.164%0.64360%0.603SS**Hα-helixtrans-70.7-28.4-175.6-166.30000114.4T6 S7S3-T6 PolarHBondContact O-OG1 3.31Å; S3-S7 PolarHBondContact O-N 3.45Å
4S58.6Low70.7Confident85 Ų85108.4 Ų108.459%0.59460%0.597SS**Hα-helixtrans-71.8-32.5176.955.90000112.6S2 W8S2-S4 PolarHBondContact O-N 3.14Å; S4-W8 PolarHBondContact O-N 2.96Å
5K63.7Low71.4Confident149 Ų149108.3 Ų108.365%0.64859%0.594SS**Hα-helixtrans-73.3-38.1-180-62.2-175.3-179.4-1770111.6S2 L9S2-K5 PolarHBondContact O-N 2.8Å; K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.16Å
6T72.6Confident72Confident76 Ų76106 Ų10647%0.46659%0.588SS.*Hα-helixtrans-69.9-37.1177.152.70000112.1S2 S3 L9 L10S2-T6 PolarHBondContact O-N 3.35Å; S3-T6 PolarHBondContact O-OG1 3.31Å; T6-L9 PolarHBondContact O-N 3.19Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.23Å
7S70.9Confident72.6Confident83 Ų83104.9 Ų104.958%0.5858%0.58SS**Hα-helixtrans-64-40.8175.3-1720000112.4S3 L10 G11S3-S7 PolarHBondContact O-N 3.45Å; S7-L10 PolarHBondContact O-N 3.27Å; S7-G11 PolarHBondContact O-N 3.26Å
8W73Confident72.6Confident195 Ų195105.2 Ų105.274%0.73958%0.58SS**Hα-helixtrans-66.5-41.7176.7-162.755.2000112.2S4 G11 T12S4-W8 PolarHBondContact O-N 2.96Å; W8-G11 PolarHBondContact O-N 3.23Å; W8-T12 WeakPolarHBondContact O-CG2 3.47Å; W8-T12 PolarHBondContact O-N 3.44Å; W8-T12 PolarHBondContact O-OG1 3.16Å
9L79.6Confident72.5Confident106 Ų106103.9 Ų103.956%0.55558%0.578SS**Hα-helixtrans-64.2-43.6176.8-70169.9000112.2K5 T6 G11 T12 L13K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.16Å; T6-L9 PolarHBondContact O-N 3.19Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.3Å; L9-T12 WeakPolarHBondContact CA-OG1 3.39Å; L9-T12 PolarHBondContact O-N 2.99Å; L9-T12 PolarHBondContact O-OG1 3.37Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 3.03Å
10L84.3Confident72.5Confident114 Ų114106.3 Ų106.360%0.59758%0.582SS**Hα-helixtrans-61.4-40.6174.9-104.9133.6000112.2T6 S7 L13 L14T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.23Å; S7-L10 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.2Å; L10-L14 WeakPolarHBondContact O-CB 3.09Å; L10-L14 PolarHBondContact O-N 3.18Å
11G81.1Confident72.4Confident30 Ų30104.6 Ų104.631%0.30958%0.575SS.*Hα-helixtrans-60.7-47.1174.200000112.3S7 W8 L9 L13 L14 I15S7-G11 PolarHBondContact O-N 3.26Å; W8-G11 PolarHBondContact O-N 3.23Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.3Å; G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.14Å; G11-L14 PolarHBondContact O-N 2.88Å; G11-I15 WeakPolarHBondContact O-CD1 3.23Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.37Å; G11-I15 PolarHBondContact O-N 3.25Å
12T80Confident72.9Confident66 Ų6698.2 Ų98.241%0.40555%0.552SS.*Hα-helixtrans-64.3-36177.958.60000112.8W8 L9 I15 S16W8-T12 WeakPolarHBondContact O-CG2 3.47Å; W8-T12 PolarHBondContact O-N 3.44Å; W8-T12 PolarHBondContact O-OG1 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.39Å; L9-T12 PolarHBondContact O-N 2.99Å; L9-T12 PolarHBondContact O-OG1 3.37Å; T12-I15 PolarHBondContact O-N 3.24Å; T12-S16 WeakPolarHBondContact O-CB 3.36Å; T12-S16 PolarHBondContact O-N 3.4Å
13L85.3Confident73.2Confident109 Ų109104.4 Ų104.457%0.57156%0.561SS**Hα-helixtrans-71.6-40.8-179.7-156153000111L9 L10 G11 S16 I17L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 3.2Å; G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.14Å; L13-S16 PolarHBondContact O-N 2.78Å; L13-I17 HydrophobicContact CD2-CD1 3.49Å; L13-I17 VanDerWaalsContact CD2-CD1 3.49Å; L13-I17 HydrophobicContact CD2-CG1 4.21Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.89Å
14L83.6Confident73.8Confident99 Ų99108 Ų10852%0.51857%0.565SS.*Hα-helixtrans-63.4-42.3172.8-84.6160.6000112.5L10 G11 I17 L18L10-L14 WeakPolarHBondContact O-CB 3.09Å; L10-L14 PolarHBondContact O-N 3.18Å; G11-L14 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 2.67Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.02Å
15I81.4Confident73.9Confident107 Ų107109.6 Ų109.655%0.54956%0.563SS.*Hα-helixtrans-64.1-42.7176.4-68.3162.1000110.5G11 T12 I17 L18 C19G11-I15 WeakPolarHBondContact O-CD1 3.23Å; G11-I15 VanDerWaalsContact O-CG1 3.22Å; G11-I15 WeakPolarHBondContact O-CG1 3.37Å; G11-I15 PolarHBondContact O-N 3.25Å; T12-I15 PolarHBondContact O-N 3.24Å; I15-I17 PolarHBondContact O-N 3.06Å; I15-L18 PolarHBondContact O-N 3.1Å; I15-C19 WeakPolarHBondContact O-CB 3.22Å; I15-C19 PolarHBondContact O-N 2.99Å; I15-C19 PolarHBondContact O-SG 2.82Å; I15-C19 VanDerWaalsContact O-SG 3.33Å
16S80.9Confident73.6Confident72 Ų72107.3 Ų107.350%0.50357%0.566SS.*Hα-helixtrans-62.1-42.5175.9-175.10000112.2T12 L13 C19 F20T12-S16 WeakPolarHBondContact O-CB 3.36Å; T12-S16 PolarHBondContact O-N 3.4Å; L13-S16 PolarHBondContact O-N 2.78Å; S16-C19 PolarHBondContact O-N 3.04Å; S16-F20 WeakPolarHBondContact O-CB 3.36Å; S16-F20 PolarHBondContact O-N 3.02Å
17I80.9Confident72.8Confident87 Ų87111.1 Ų111.145%0.44658%0.582SS.*Hα-helixtrans-64-44.5176.2-70.8171000110.3L13 L14 I15 C19 F20 V21L13-I17 HydrophobicContact CD2-CD1 3.49Å; L13-I17 VanDerWaalsContact CD2-CD1 3.49Å; L13-I17 HydrophobicContact CD2-CG1 4.21Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.89Å; L14-I17 PolarHBondContact O-N 2.67Å; I15-I17 PolarHBondContact O-N 3.06Å; I17-C19 VanDerWaalsContact C-N 3.34Å; I17-C19 PolarHBondContact O-N 3.14Å; I17-F20 PolarHBondContact O-N 2.84Å; I17-V21 HydrophobicContact CG2-CG2 4.21Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.49Å
18L73.7Confident72.2Confident111 Ų111111.8 Ų111.858%0.58158%0.578SS**Hα-helixtrans-60.8-41176.1-83.7159.4000112.2L14 I15 S22L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.02Å; I15-L18 PolarHBondContact O-N 3.1Å; L18-S22 VanDerWaalsContact O-CB 3.25Å; L18-S22 WeakPolarHBondContact O-CB 3.2Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 PolarHBondContact O-OG 3.28Å
19C70.3Confident72.1Confident80 Ų80107.7 Ų107.754%0.54157%0.57SS.*Hα-helixtrans-63.2-41.8173.9-73.50000112.1I15 S16 I17 S22 W23I15-C19 WeakPolarHBondContact O-CB 3.22Å; I15-C19 PolarHBondContact O-N 2.99Å; I15-C19 PolarHBondContact O-SG 2.82Å; I15-C19 VanDerWaalsContact O-SG 3.33Å; S16-C19 PolarHBondContact O-N 3.04Å; I17-C19 VanDerWaalsContact C-N 3.34Å; I17-C19 PolarHBondContact O-N 3.14Å; C19-S22 PolarHBondContact O-N 3.33Å; C19-W23 WeakPolarHBondContact O-CB 3.45Å; C19-W23 PolarHBondContact O-N 3.31Å
20F71.9Confident71.8Confident151 Ų151107.6 Ų107.666%0.66257%0.574SS**Hα-helixtrans-70.8-38.5-179.7-143.3-89.5000112.4S16 I17 W23 K24S16-F20 WeakPolarHBondContact O-CB 3.36Å; S16-F20 PolarHBondContact O-N 3.02Å; I17-F20 PolarHBondContact O-N 2.84Å; F20-W23 PolarHBondContact O-N 3.29Å; F20-K24 WeakPolarHBondContact O-CB 3.4Å; F20-K24 PolarHBondContact O-N 3.17Å
21V70.2Confident71.3Confident72 Ų72111.6 Ų111.644%0.43658%0.581SS.*Hα-helixtrans-66.4-39.8174.2172.40000110.7I17 W23 K24 H25I17-V21 HydrophobicContact CG2-CG2 4.21Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.49Å; V21-W23 VanDerWaalsContact C-N 3.35Å; V21-K24 PolarHBondContact O-N 2.81Å; V21-H25 PolarHBondContact O-N 2.78Å; V21-H25 PolarHBondContact O-ND1 2.94Å; V21-H25 VanDerWaalsContact O-ND1 3.07Å
22S62.6Low71.1Confident86 Ų86111.6 Ų111.660%0.60158%0.581SS**Hα-helixtrans-66.7-34.4175.2-57.90000112.5L18 C19L18-S22 VanDerWaalsContact O-CB 3.25Å; L18-S22 WeakPolarHBondContact O-CB 3.2Å; L18-S22 PolarHBondContact O-N 3.26Å; L18-S22 PolarHBondContact O-OG 3.28Å; C19-S22 PolarHBondContact O-N 3.33Å
23W59.6Low71Confident222 Ų222110.2 Ų110.284%0.84158%0.576SS**Hα-helixtrans-68.5-39.7171.9-171.5-71.4000111.8C19 F20 V21C19-W23 WeakPolarHBondContact O-CB 3.45Å; C19-W23 PolarHBondContact O-N 3.31Å; F20-W23 PolarHBondContact O-N 3.29Å; V21-W23 VanDerWaalsContact C-N 3.35Å
24K65.4Low70.8Confident168 Ų168112.5 Ų112.573%0.7358%0.582SS**Hα-helixtrans-77.8-32.3-175.9-160.2-177.3177.1170.10113.4F20 V21 S26F20-K24 WeakPolarHBondContact O-CB 3.4Å; F20-K24 PolarHBondContact O-N 3.17Å; V21-K24 PolarHBondContact O-N 2.81Å; K24-S26 PolarHBondContact O-N 3.4Å
25H60.4Low70.6Confident119 Ų119112.8 Ų112.855%0.55158%0.584SS**SBendtrans-99.660.9179.4-66.172.6000110.6V21 I27V21-H25 PolarHBondContact O-N 2.78Å; V21-H25 PolarHBondContact O-ND1 2.94Å; V21-H25 VanDerWaalsContact O-ND1 3.07Å; H25-I27 PolarHBondContact O-N 2.99Å
26S57.6Low70.7Confident101 Ų101113.2 Ų113.271%0.70659%0.586SS**  trans-57.476.5-178.1-167.30000112.9K24K24-S26 PolarHBondContact O-N 3.4Å
27I56.8Low70.9Confident155 Ų155114 Ų11480%0.79559%0.588SS**  trans-97-7.9170.5-66.7167.4000109.3H25H25-I27 PolarHBondContact O-N 2.99Å
28I58.2Low71.3Confident98 Ų98111.4 Ų111.450%0.50358%0.582SS.*SBendtrans-110.7114.1178.1-95157.4000108.6A33I28-A33 HydrophobicContact CG2-CB 3.77Å
29D70.6Confident71.9Confident108 Ų108114 Ų11458%0.57858%0.584SS**  trans-46138.9168.9179.625000109.7R31 G32 A33D29-R31 PolarHBondContact O-N 3.36Å; D29-G32 CarbonylContact O-C 3.58Å; D29-G32 VanDerWaalsContact O-CA 3.25Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 2.91Å; D29-A33 PolarHBondContact O-N 2.91Å
30V73.8Confident72.8Confident104 Ų104112 Ų11263%0.6358%0.577SS**Hα-helixtrans-54.9-35.2-173.2-126.50000110.8A33 F34V30-A33 WeakPolarHBondContact O-CB 3.32Å; V30-A33 PolarHBondContact O-N 2.82Å; V30-F34 VanDerWaalsContact O-CD2 3.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.31Å; V30-F34 PolarHBondContact O-N 3.49Å; V30-F34 VanDerWaalsContact O-N 3.08Å
31R72.8Confident73.7Confident198 Ų198110.2 Ų110.275%0.74757%0.574SS**Hα-helixtrans-64.2-39173.8-67.3-179.3174.7-168.9-0.8112.5D29 F34 L35D29-R31 PolarHBondContact O-N 3.36Å; R31-F34 PolarHBondContact O-N 2.88Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 WeakPolarHBondContact O-CD1 3.46Å; R31-L35 WeakPolarHBondContact O-CG 3.26Å; R31-L35 PolarHBondContact O-N 3.08Å
32G77.9Confident74.6Confident30 Ų30112.5 Ų112.531%0.30958%0.583SS.*Hα-helixtrans-64.6-38.3173.700000112.8D29 L35 L36D29-G32 CarbonylContact O-C 3.58Å; D29-G32 VanDerWaalsContact O-CA 3.25Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 2.91Å; G32-L35 PolarHBondContact O-N 2.62Å; G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.27Å
33A77.9Confident75.9Confident37 Ų37114.2 Ų114.231%0.30659%0.585SS.*Hα-helixtrans-63.8-46.2174.200000111.4I28 D29 V30 L35 L36 V37I28-A33 HydrophobicContact CG2-CB 3.77Å; D29-A33 PolarHBondContact O-N 2.91Å; V30-A33 WeakPolarHBondContact O-CB 3.32Å; V30-A33 PolarHBondContact O-N 2.82Å; A33-L35 PolarHBondContact O-N 3.14Å; A33-L36 PolarHBondContact O-N 2.76Å; A33-V37 VanDerWaalsContact O-CG2 3.32Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å
34F80.3Confident77.5Confident158 Ų158108.6 Ų108.669%0.69357%0.571SS**Hα-helixtrans-62.1-40.5175.8-84.7-74.8000112.5V30 R31 V37 G38V30-F34 VanDerWaalsContact O-CD2 3.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.31Å; V30-F34 PolarHBondContact O-N 3.49Å; V30-F34 VanDerWaalsContact O-N 3.08Å; R31-F34 PolarHBondContact O-N 2.88Å; F34-V37 PolarHBondContact O-N 3.13Å; F34-G38 PolarHBondContact O-N 2.93Å
35L80.3Confident78.7Confident104 Ų104102.3 Ų102.355%0.54555%0.553SS.*Hα-helixtrans-65.5-37.8175.2-83.6156.5000112.7R31 G32 A33 R39R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 WeakPolarHBondContact O-CD1 3.46Å; R31-L35 WeakPolarHBondContact O-CG 3.26Å; R31-L35 PolarHBondContact O-N 3.08Å; G32-L35 PolarHBondContact O-N 2.62Å; A33-L35 PolarHBondContact O-N 3.14Å; L35-R39 WeakPolarHBondContact O-CB 3.4Å; L35-R39 WeakPolarHBondContact O-CG 3.35Å; L35-R39 PolarHBondContact O-N 2.92Å
36L82.9Confident80.3Confident116 Ų116101.5 Ų101.561%0.60755%0.553SS**Hα-helixtrans-67.1-44.8176.9-164.586.4000111.2G32 A33 R39 G40G32-L36 WeakPolarHBondContact O-CB 3.45Å; G32-L36 PolarHBondContact O-N 3.27Å; A33-L36 PolarHBondContact O-N 2.76Å; L36-R39 PolarHBondContact O-N 2.95Å; L36-G40 PolarHBondContact O-N 3.24Å
37V85.1Confident81.6Confident90 Ų9099.4 Ų99.455%0.54554%0.538SS..Hα-helixtrans-62.9-43.5175.9172.80000110.7A33 F34 R39 G40 L41A33-V37 VanDerWaalsContact O-CG2 3.32Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å; F34-V37 PolarHBondContact O-N 3.13Å; V37-R39 PolarHBondContact O-N 3.17Å; V37-G40 PolarHBondContact O-N 3.35Å; V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.04Å
38G88.8Confident83.3Confident31 Ų3196.1 Ų96.132%0.3253%0.525SS..Hα-helixtrans-60.2-44.3175.600000112.9F34 L41 L42F34-G38 PolarHBondContact O-N 2.93Å; G38-L41 PolarHBondContact O-N 3.28Å; G38-L42 WeakPolarHBondContact O-CG 3.35Å; G38-L42 PolarHBondContact O-N 3.1Å
39R87.3Confident84.8Confident166 Ų16697 Ų9763%0.62653%0.53SS*.Hα-helixtrans-64.6-38.9174.5-76.2178.2173.3147.5-0.9112.3L35 L36 V37 L42 L43L35-R39 WeakPolarHBondContact O-CB 3.4Å; L35-R39 WeakPolarHBondContact O-CG 3.35Å; L35-R39 PolarHBondContact O-N 2.92Å; L36-R39 PolarHBondContact O-N 2.95Å; V37-R39 PolarHBondContact O-N 3.17Å; R39-L42 PolarHBondContact O-N 3.31Å; R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.9Å
40G89Confident85.7Confident37 Ų3796.5 Ų96.538%0.38153%0.526SS..Hα-helixtrans-60.6-47174.600000112.4L36 V37 L42 L43 L44L36-G40 PolarHBondContact O-N 3.24Å; V37-G40 PolarHBondContact O-N 3.35Å; G40-L42 PolarHBondContact O-N 3.24Å; G40-L43 PolarHBondContact O-N 2.79Å; G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.02Å
41L89.9Confident86.4Confident115 Ų11596 Ų9660%0.60252%0.522SS*.Hα-helixtrans-64.8-38.7177.4-71.2173.5000112.4V37 G38 L44 G45V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.04Å; G38-L41 PolarHBondContact O-N 3.28Å; L41-L44 PolarHBondContact O-N 2.81Å; L41-G45 PolarHBondContact O-N 3.14Å
42L90.1Very high87Confident120 Ų12090.1 Ų90.163%0.62851%0.512SS*.Hα-helixtrans-63.8-44.3174.7-76.1171.2000112G38 R39 G40 L44 G45 L46G38-L42 WeakPolarHBondContact O-CG 3.35Å; G38-L42 PolarHBondContact O-N 3.1Å; R39-L42 PolarHBondContact O-N 3.31Å; G40-L42 PolarHBondContact O-N 3.24Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-G45 PolarHBondContact O-N 2.87Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 2.78Å
43L90.1Very high87.5Confident121 Ų12195.5 Ų95.563%0.63452%0.524SS*.Hα-helixtrans-65.6-36.1176.6-71.9172.3000112.1R39 G40 S47R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.9Å; G40-L43 PolarHBondContact O-N 2.79Å; L43-S47 VanDerWaalsContact O-CB 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.5Å; L43-S47 PolarHBondContact O-N 3.34Å; L43-S47 PolarHBondContact O-OG 3.4Å
44L91.6Very high87.7Confident105 Ų10597.4 Ų97.455%0.5553%0.525SS..Hα-helixtrans-67.8-40.3175-171.465.8000111.8G40 L41 L42 S47 T48G40-L44 WeakPolarHBondContact O-CB 3.36Å; G40-L44 PolarHBondContact O-N 3.02Å; L41-L44 PolarHBondContact O-N 2.81Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L44-S47 WeakPolarHBondContact CA-OG 3.26Å; L44-S47 PolarHBondContact O-OG 3.43Å; L44-T48 WeakPolarHBondContact O-CB 3.36Å; L44-T48 PolarHBondContact O-N 2.64Å; L44-T48 PolarHBondContact O-OG1 3.2Å
45G92.3Very high87.6Confident35 Ų3597.1 Ų97.136%0.36152%0.521SS..Hα-helixtrans-63.3-48.5173.900000111.9L41 L42 S47 T48 L49L41-G45 PolarHBondContact O-N 3.14Å; L42-G45 PolarHBondContact O-N 2.87Å; G45-S47 PolarHBondContact O-N 2.99Å; G45-T48 PolarHBondContact O-N 3.25Å; G45-L49 WeakPolarHBondContact O-CG 3.19Å; G45-L49 PolarHBondContact O-N 2.81Å
46L92.4Very high87.5Confident103 Ų10396 Ų9654%0.53952%0.52SS..Hα-helixtrans-60.6-43.7175.9-93.7149.4000112.2L42 L49 M50L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 2.78Å; L46-L49 PolarHBondContact O-N 2.9Å; L46-M50 WeakPolarHBondContact O-CB 3.38Å; L46-M50 WeakPolarHBondContact O-CG 3.21Å; L46-M50 PolarHBondContact O-N 3.35Å
47S85.2Confident86.9Confident57 Ų5798.1 Ų98.140%0.39952%0.519SS..Hα-helixtrans-66.6-38178.269.20000111.9L43 L44 G45 M50 V51L43-S47 VanDerWaalsContact O-CB 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.5Å; L43-S47 PolarHBondContact O-N 3.34Å; L43-S47 PolarHBondContact O-OG 3.4Å; L44-S47 WeakPolarHBondContact CA-OG 3.26Å; L44-S47 PolarHBondContact O-OG 3.43Å; G45-S47 PolarHBondContact O-N 2.99Å; S47-M50 PolarHBondContact O-N 2.98Å; S47-V51 VanDerWaalsContact O-CG2 3.3Å; S47-V51 WeakPolarHBondContact O-CG2 3.31Å; S47-V51 PolarHBondContact O-N 3.41Å
48T93.3Very high86.3Confident86 Ų8697.3 Ų97.353%0.52851%0.512SS..Hα-helixtrans-64.5-41.6174.7-53.90000111.3L44 G45 V51 S52L44-T48 WeakPolarHBondContact O-CB 3.36Å; L44-T48 PolarHBondContact O-N 2.64Å; L44-T48 PolarHBondContact O-OG1 3.2Å; G45-T48 PolarHBondContact O-N 3.25Å; T48-V51 PolarHBondContact O-N 3.02Å; T48-S52 PolarHBondContact O-N 3.26Å
49L89.3Confident85.3Confident116 Ų116103.6 Ų103.661%0.60753%0.526SS*.Hα-helixtrans-63.9-45.2174.1-73.1174.2000111.7G45 L46 V51 S52 Y53G45-L49 WeakPolarHBondContact O-CG 3.19Å; G45-L49 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 2.9Å; L49-V51 PolarHBondContact O-N 2.79Å; L49-S52 WeakPolarHBondContact CA-OG 3.45Å; L49-S52 PolarHBondContact O-N 2.82Å; L49-S52 VanDerWaalsContact O-N 3.17Å; L49-S52 PolarHBondContact O-OG 2.95Å; L49-Y53 WeakPolarHBondContact O-CB 3.47Å; L49-Y53 PolarHBondContact O-N 2.94Å
50M90Very high84.2Confident98 Ų9899.8 Ų99.848%0.48353%0.525SS..Hα-helixtrans-59.4-46.7175.3-72.3-68.4-73.900110.6L46 S47 S52 Y53 F54L46-M50 WeakPolarHBondContact O-CB 3.38Å; L46-M50 WeakPolarHBondContact O-CG 3.21Å; L46-M50 PolarHBondContact O-N 3.35Å; S47-M50 PolarHBondContact O-N 2.98Å; M50-S52 PolarHBondContact O-N 3.13Å; M50-Y53 PolarHBondContact O-N 3.36Å; M50-F54 HydrophobicContact CB-CD2 4.36Å; M50-F54 HydrophobicContact CE-CD2 3.71Å; M50-F54 HydrophobicContact CE-CE2 3.16Å; M50-F54 HydrophobicContact CE-CZ 3.97Å; M50-F54 VanDerWaalsContact O-CB 3.25Å; M50-F54 WeakPolarHBondContact O-CB 3.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.36Å; M50-F54 PolarHBondContact O-N 3.11Å; M50-F54 HydrophobicContact SD-CD2 4.03Å; M50-F54 HydrophobicContact SD-CE2 3.57Å; M50-F54 VanDerWaalsContact SD-CE2 3.57Å
51V89.1Confident82.9Confident92 Ų92103.6 Ų103.656%0.55854%0.536SS*.Hα-helixtrans-60.2-46.8174.5173.50000110.2S47 T48 L49 Y53 F54 Y55S47-V51 VanDerWaalsContact O-CG2 3.3Å; S47-V51 WeakPolarHBondContact O-CG2 3.31Å; S47-V51 PolarHBondContact O-N 3.41Å; T48-V51 PolarHBondContact O-N 3.02Å; L49-V51 PolarHBondContact O-N 2.79Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.27Å; V51-F54 PolarHBondContact O-N 3.35Å; V51-Y55 WeakPolarHBondContact O-CA 3.38Å; V51-Y55 WeakPolarHBondContact O-CB 3.33Å; V51-Y55 PolarHBondContact O-N 2.82Å
52S84.7Confident81.5Confident75 Ų75104.8 Ų104.852%0.52454%0.536SS..Hα-helixtrans-62.3-35.6-179.673.10000114.2T48 L49 M50 P56T48-S52 PolarHBondContact O-N 3.26Å; L49-S52 WeakPolarHBondContact CA-OG 3.45Å; L49-S52 PolarHBondContact O-N 2.82Å; L49-S52 VanDerWaalsContact O-N 3.17Å; L49-S52 PolarHBondContact O-OG 2.95Å; M50-S52 PolarHBondContact O-N 3.13Å; S52-P56 WeakPolarHBondContact O-CD 3.14Å
53Y87.8Confident79.7Confident144 Ų144102.8 Ų102.857%0.56553%0.533SS*.Hα-helixtrans-79-41.6178.9179.4-104.3000112L49 M50 V51L49-Y53 WeakPolarHBondContact O-CB 3.47Å; L49-Y53 PolarHBondContact O-N 2.94Å; M50-Y53 PolarHBondContact O-N 3.36Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.27Å
54F82.6Confident77.9Confident77 Ų77101.6 Ų101.634%0.33853%0.534SS..Hα-helixtrans-84.1-24.6-178.2-75.5-85.9000112.9M50 V51 R57 L58M50-F54 HydrophobicContact CB-CD2 4.36Å; M50-F54 HydrophobicContact CE-CD2 3.71Å; M50-F54 HydrophobicContact CE-CE2 3.16Å; M50-F54 HydrophobicContact CE-CZ 3.97Å; M50-F54 VanDerWaalsContact O-CB 3.25Å; M50-F54 WeakPolarHBondContact O-CB 3.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.36Å; M50-F54 PolarHBondContact O-N 3.11Å; M50-F54 HydrophobicContact SD-CD2 4.03Å; M50-F54 HydrophobicContact SD-CE2 3.57Å; M50-F54 VanDerWaalsContact SD-CE2 3.57Å; V51-F54 PolarHBondContact O-N 3.35Å; F54-R57 CarbonylContact O-C 3.5Å; F54-R57 PolarHBondContact O-N 3.27Å; F54-R57 VanDerWaalsContact O-N 3.12Å; F54-L58 HydrophobicContact CB-CD1 3.79Å; F54-L58 HydrophobicContact CB-CG 4.34Å; F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 VanDerWaalsContact O-CG 3.24Å; F54-L58 WeakPolarHBondContact O-CG 3.47Å; F54-L58 PolarHBondContact O-N 3.03Å
55Y78.4Confident75.9Confident152 Ų152103.3 Ų103.360%0.59654%0.544SS*.Hα-helixtrans-57.9-48.2-179.8-173.4-96.2000114.1V51 R57 L58 R59V51-Y55 WeakPolarHBondContact O-CA 3.38Å; V51-Y55 WeakPolarHBondContact O-CB 3.33Å; V51-Y55 PolarHBondContact O-N 2.82Å; Y55-R57 PolarHBondContact O-N 3.33Å; Y55-L58 PolarHBondContact O-N 2.97Å; Y55-R59 WeakPolarHBondContact O-CB 3.23Å; Y55-R59 PolarHBondContact O-N 2.63Å
56P77Confident74Confident81 Ų81107.6 Ų107.653%0.52656%0.563SS.*Hα-helixtrans-63.8-32.7175.322.1-30.8000112.3S52S52-P56 WeakPolarHBondContact O-CD 3.14Å
57R72Confident71.8Confident159 Ų159110.3 Ų110.360%0.657%0.567SS**Hα-helixtrans-77.7-33.5180-155.4172.8-175.31480.2113F54 Y55 S60F54-R57 CarbonylContact O-C 3.5Å; F54-R57 PolarHBondContact O-N 3.27Å; F54-R57 VanDerWaalsContact O-N 3.12Å; Y55-R57 PolarHBondContact O-N 3.33Å; R57-S60 PolarHBondContact O-OG 3.3Å; R57-S60 VanDerWaalsContact O-OG 3.13Å
58L71.4Confident70.3Confident73 Ų73110.8 Ų110.838%0.38257%0.57SS.*Hα-helixtrans-81.1-33.1176.1-71.9165.3000111.1F54 Y55 S60 L61 F62F54-L58 HydrophobicContact CB-CD1 3.79Å; F54-L58 HydrophobicContact CB-CG 4.34Å; F54-L58 VanDerWaalsContact O-CB 3.27Å; F54-L58 WeakPolarHBondContact O-CB 3.45Å; F54-L58 VanDerWaalsContact O-CG 3.24Å; F54-L58 WeakPolarHBondContact O-CG 3.47Å; F54-L58 PolarHBondContact O-N 3.03Å; Y55-L58 PolarHBondContact O-N 2.97Å; L58-S60 PolarHBondContact O-N 3.32Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-F62 HydrophobicContact CB-CD2 3.98Å; L58-F62 HydrophobicContact CB-CE2 3.95Å; L58-F62 HydrophobicContact CD2-CE2 3.82Å; L58-F62 HydrophobicContact CG-CE2 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3Å
59R68.6Low68.5Low163 Ų163113 Ų11362%0.61558%0.583SS**Hα-helixtrans-56.9-38.2173.6-176.2178179.4-173.90.7111.3Y55 L61 S63Y55-R59 WeakPolarHBondContact O-CB 3.23Å; Y55-R59 PolarHBondContact O-N 2.63Å; R59-L61 PolarHBondContact O-N 3.44Å; R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.48Å; R59-S63 PolarHBondContact O-OG 2.95Å
60S63.4Low67.1Low87 Ų87111.1 Ų111.161%0.60858%0.58SS**Hα-helixtrans-67.2-27.3176.1820000113R57 L58R57-S60 PolarHBondContact O-OG 3.3Å; R57-S60 VanDerWaalsContact O-OG 3.13Å; L58-S60 PolarHBondContact O-N 3.32Å
61L62.4Low65.4Low116 Ų116111 Ų11161%0.60758%0.578SS**Hα-helixtrans-87.2-30.1-179.5-65.7174.1000113.2L58 R59 S64L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 2.84Å; R59-L61 PolarHBondContact O-N 3.44Å; L61-S64 PolarHBondContact O-OG 2.85Å
62F59.9Low64Low140 Ų140113.3 Ų113.361%0.61458%0.578SS**Hα-helixtrans-94-20.4179.1-68.3-65.5000113.9L58 S64 N65L58-F62 HydrophobicContact CB-CD2 3.98Å; L58-F62 HydrophobicContact CB-CE2 3.95Å; L58-F62 HydrophobicContact CD2-CE2 3.82Å; L58-F62 HydrophobicContact CG-CE2 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3Å; F62-S64 PolarHBondContact O-N 2.84Å; F62-S64 VanDerWaalsContact O-N 3.15Å; F62-N65 PolarHBondContact O-N 2.97Å
63S52.7Low63.2Low79 Ų79113.3 Ų113.355%0.55258%0.578SS**THydrogen-bonded Turntrans-68.8-8.2176.5-58.40000113.4R59R59-S63 WeakPolarHBondContact O-CB 3.37Å; R59-S63 PolarHBondContact O-N 3.48Å; R59-S63 PolarHBondContact O-OG 2.95Å
64S51.6Low62.6Low96 Ų96112.9 Ų112.967%0.67158%0.581SS**THydrogen-bonded Turntrans-85-14.7175.755.60000113.9L61 F62L61-S64 PolarHBondContact O-OG 2.85Å; F62-S64 PolarHBondContact O-N 2.84Å; F62-S64 VanDerWaalsContact O-N 3.15Å
65N50.8Low62.5Low140 Ų140111.9 Ų111.975%0.74958%0.579SS**SBendtrans-131.214.8-163.2-145.344.3000117.5F62F62-N65 PolarHBondContact O-N 2.97Å
66T50.8Low62.9Low125 Ų125107.4 Ų107.477%0.76756%0.564SS**  trans-129.964.9170.7590000111
67R47.9Very low63.5Low161 Ų161108.1 Ų108.161%0.60856%0.56SS**  trans-104.6111155.4-104.2-178.7169.591.3-1.7106.4D75R67-D75 IonicContact CZ-OD2 3.38Å; R67-D75 IonicContact NE-OD2 3.55Å; R67-D75 PolarHBondContact NE-OD2 3.01Å; R67-D75 IonicContact NH2-OD2 2.73Å; R67-D75 PolarHBondContact NH2-OD2 3.08Å
68S52.7Low64.4Low67 Ų67103.3 Ų103.347%0.46955%0.554SS.*  trans-57.3139.5173.335.50000110S70 E71S68-S70 PolarHBondContact O-N 2.85Å; S68-E71 PolarHBondContact O-N 3.47Å
69T54.7Low65.4Low132 Ų132104.2 Ų104.281%0.8156%0.555SS**Hα-helixtrans-51.9-23.6-176.3-43.40000114.4
70S60Low66.6Low77 Ų77101.7 Ų101.754%0.53855%0.55SS.*Hα-helixtrans-75.3-32.9174.457.90000114.5S68 Y72 S73S68-S70 PolarHBondContact O-N 2.85Å; S70-Y72 VanDerWaalsContact C-N 3.28Å; S70-S73 PolarHBondContact O-OG 3.22Å
71E55.3Low68Low94 Ų94105 Ų10544%0.43955%0.549SS..Hα-helixtrans-70.5-29.1174.1-97.7179160.800111.1S68 S73 E74 D75S68-E71 PolarHBondContact O-N 3.47Å; E71-S73 PolarHBondContact O-N 3.24Å; E71-E74 PolarHBondContact O-N 3.13Å; E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.89Å
72Y60.3Low69.5Low142 Ų142104.4 Ų104.456%0.55754%0.543SS*.Hα-helixtrans-66.8-36.9-179.3-159.5-89.3000112.3S70 E76S70-Y72 VanDerWaalsContact C-N 3.28Å; Y72-E76 HydrophobicContact CD1-CG 4.22Å; Y72-E76 HydrophobicContact CE1-CG 4.01Å; Y72-E76 WeakPolarHBondContact O-CG 3.45Å; Y72-E76 PolarHBondContact O-N 2.88Å
73S66.9Low71.3Confident74 Ų74103.7 Ų103.752%0.51754%0.54SS..Hα-helixtrans-70-40.2177.147.80000112.9S70 E71 E76 E77S70-S73 PolarHBondContact O-OG 3.22Å; E71-S73 PolarHBondContact O-N 3.24Å; S73-E76 PolarHBondContact O-N 3.45Å; S73-E77 PolarHBondContact O-N 3.2Å; S73-E77 VanDerWaalsContact O-N 3.17Å
74E74.9Confident73.3Confident136 Ų136105 Ų10564%0.63654%0.538SS*.Hα-helixtrans-70.3-39.6178.8-66.5-178.6176.200111.6E71 E76 E77 A78E71-E74 PolarHBondContact O-N 3.13Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.96Å; E74-E77 PolarHBondContact O-N 3.2Å; E74-A78 WeakPolarHBondContact O-CB 3.15Å; E74-A78 PolarHBondContact O-N 3.2Å
75D82Confident75.4Confident56 Ų56102.8 Ų102.830%0.29952%0.524SS..Hα-helixtrans-62.2-38.1175.4-87-10.6000111.6R67 E71 K79R67-D75 IonicContact CZ-OD2 3.38Å; R67-D75 IonicContact NE-OD2 3.55Å; R67-D75 PolarHBondContact NE-OD2 3.01Å; R67-D75 IonicContact NH2-OD2 2.73Å; R67-D75 PolarHBondContact NH2-OD2 3.08Å; E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.89Å; D75-K79 VanDerWaalsContact O-CG 3.23Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.15Å; D75-K79 VanDerWaalsContact O-N 3.1Å
76E85.1Confident77.6Confident58 Ų58103 Ų10327%0.27152%0.515SS..Hα-helixtrans-71.1-39.4177.3-73.6-55.1134.400112.6Y72 S73 E74 K79 Q80Y72-E76 HydrophobicContact CD1-CG 4.22Å; Y72-E76 HydrophobicContact CE1-CG 4.01Å; Y72-E76 WeakPolarHBondContact O-CG 3.45Å; Y72-E76 PolarHBondContact O-N 2.88Å; S73-E76 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.96Å; E76-K79 PolarHBondContact O-N 2.8Å; E76-K79 IonicContact OE1-NZ 3.8Å; E76-K79 PolarHBondContact OE1-NZ 3.28Å; E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.93Å
77E90.3Very high79.8Confident96 Ų96102.3 Ų102.345%0.44950%0.503SS..Hα-helixtrans-64.8-41.8175.5-165.7-176.2169.400111.4S73 E74 K79 Q80 R81S73-E77 PolarHBondContact O-N 3.2Å; S73-E77 VanDerWaalsContact O-N 3.17Å; E74-E77 PolarHBondContact O-N 3.2Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 2.98Å; E77-Q80 PolarHBondContact O-N 2.9Å; E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 2.93Å; E77-R81 IonicContact OE1-CZ 3.85Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 3.36Å; E77-R81 PolarHBondContact OE1-NH2 2.98Å
78A90Very high82.2Confident57 Ų5799.7 Ų99.747%0.47150%0.497SS..Hα-helixtrans-61.9-41175.500000112.2E74 R81 Q82E74-A78 WeakPolarHBondContact O-CB 3.15Å; E74-A78 PolarHBondContact O-N 3.2Å; A78-R81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 PolarHBondContact O-N 3.11Å
79K92.4Very high84.3Confident93 Ų93101.1 Ų101.140%0.40450%0.5SS..Hα-helixtrans-63.5-40174-73.6171.5-161.9168.60112D75 E76 E77 Q82 K83D75-K79 VanDerWaalsContact O-CG 3.23Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.15Å; D75-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 PolarHBondContact O-N 2.8Å; E76-K79 IonicContact OE1-NZ 3.8Å; E76-K79 PolarHBondContact OE1-NZ 3.28Å; E77-K79 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 2.98Å; K79-Q82 PolarHBondContact O-N 2.82Å; K79-K83 WeakPolarHBondContact O-CG 3.38Å; K79-K83 PolarHBondContact O-N 2.87Å
80Q94.5Very high86.3Confident110 Ų110101.7 Ų101.751%0.51449%0.493SS..Hα-helixtrans-64.2-46.9176.9-73.5177.511.400111.4E76 E77 Q82 K83 Q84E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 2.93Å; E77-Q80 PolarHBondContact O-N 2.9Å; Q80-Q82 VanDerWaalsContact C-N 3.27Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q80-K83 WeakPolarHBondContact O-CB 3.43Å; Q80-K83 PolarHBondContact O-N 2.92Å; Q80-K83 VanDerWaalsContact O-N 3.09Å; Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.01Å
81R93.8Very high88.1Confident155 Ų155103.4 Ų103.459%0.58549%0.493SS*.Hα-helixtrans-58.5-39.7174.6-68.4177.7-173.5-176.82.3111.9E77 A78 Q84 A85E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 2.93Å; E77-R81 IonicContact OE1-CZ 3.85Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 PolarHBondContact OE1-NE 3.43Å; E77-R81 IonicContact OE1-NH2 3.36Å; E77-R81 PolarHBondContact OE1-NH2 2.98Å; A78-R81 PolarHBondContact O-N 3.04Å; R81-Q84 PolarHBondContact O-N 2.77Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.83Å
82Q93.6Very high90.1Very high105 Ų105104.2 Ų104.249%0.49149%0.494SS..Hα-helixtrans-66-38.9175.9-169.8-178.439.400112.5A78 K79 Q80 R86A78-Q82 WeakPolarHBondContact O-CB 3.32Å; A78-Q82 PolarHBondContact O-N 3.11Å; K79-Q82 PolarHBondContact O-N 2.82Å; Q80-Q82 VanDerWaalsContact C-N 3.27Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q82-R86 VanDerWaalsContact NE2-NH2 3.18Å; Q82-R86 WeakPolarHBondContact O-CG 3.43Å; Q82-R86 PolarHBondContact O-N 2.89Å
83K96Very high91.9Very high124 Ų124103.3 Ų103.354%0.53950%0.495SS..Hα-helixtrans-65-47.5175.6-74.2175-179.4179.80111.1K79 Q80 A85 R86 E87K79-K83 WeakPolarHBondContact O-CG 3.38Å; K79-K83 PolarHBondContact O-N 2.87Å; Q80-K83 WeakPolarHBondContact O-CB 3.43Å; Q80-K83 PolarHBondContact O-N 2.92Å; Q80-K83 VanDerWaalsContact O-N 3.09Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 3.08Å; K83-R86 WeakPolarHBondContact O-CB 3.41Å; K83-R86 PolarHBondContact O-N 3.08Å; K83-E87 PolarHBondContact O-N 3.35Å
84Q95.8Very high93.3Very high108 Ų108102.9 Ų102.951%0.50549%0.492SS..Hα-helixtrans-57.2-46.6176.1-72.3173.6-14.900111.5Q80 R81 R86 E87 E88Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.01Å; R81-Q84 PolarHBondContact O-N 2.77Å; Q84-R86 PolarHBondContact O-N 2.96Å; Q84-E87 PolarHBondContact O-N 3.04Å; Q84-E87 VanDerWaalsContact O-N 3.13Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å
85A95.6Very high94.4Very high48 Ų48102.3 Ų102.340%0.39749%0.489SS..Hα-helixtrans-60.3-33.3177.100000113R81 K83 L89R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.83Å; K83-A85 VanDerWaalsContact C-N 3.34Å; K83-A85 PolarHBondContact O-N 3.08Å; A85-L89 WeakPolarHBondContact O-CD1 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 2.81Å
86R97Very high95.1Very high146 Ų146106.1 Ų106.155%0.55150%0.504SS*.Hα-helixtrans-73-40.8175.3-71.5174.3-177.3167.74.9112Q82 K83 Q84 L89 Q90Q82-R86 VanDerWaalsContact NE2-NH2 3.18Å; Q82-R86 WeakPolarHBondContact O-CG 3.43Å; Q82-R86 PolarHBondContact O-N 2.89Å; K83-R86 WeakPolarHBondContact O-CB 3.41Å; K83-R86 PolarHBondContact O-N 3.08Å; Q84-R86 PolarHBondContact O-N 2.96Å; R86-L89 PolarHBondContact O-N 2.77Å; R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.84Å
87E97.7Very high95.7Very high110 Ų110106.2 Ų106.251%0.51451%0.514SS..Hα-helixtrans-63.7-47.5177.2-72.9169.7-173.700110.7K83 Q84 L89 Q90 E91K83-E87 PolarHBondContact O-N 3.35Å; Q84-E87 PolarHBondContact O-N 3.04Å; Q84-E87 VanDerWaalsContact O-N 3.13Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.86Å; E87-Q90 CarbonylContact O-C 3.58Å; E87-Q90 WeakPolarHBondContact O-CA 3.45Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 2.87Å; E87-E91 WeakPolarHBondContact O-CG 3.39Å; E87-E91 PolarHBondContact O-N 3.48Å
88E97.7Very high96Very high105 Ų105107.1 Ų107.149%0.49152%0.517SS..Hα-helixtrans-58.7-38.5175.4-72.8-179.1-169.700112.7Q84 K92Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å; E88-K92 WeakPolarHBondContact O-CG 3.28Å; E88-K92 PolarHBondContact O-N 2.96Å
89L97.6Very high96.4Very high98 Ų98107.3 Ų107.351%0.51351%0.514SS..Hα-helixtrans-65.6-43.8174.3-75.7171000110.9A85 R86 E87 E91 K92 H93A85-L89 WeakPolarHBondContact O-CD1 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.45Å; A85-L89 PolarHBondContact O-N 2.81Å; R86-L89 PolarHBondContact O-N 2.77Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.86Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.91Å; L89-K92 PolarHBondContact O-N 3.07Å; L89-H93 PolarHBondContact O-CD2 3.4Å; L89-H93 PolarHBondContact O-N 2.82Å
90Q96.3Very high96.6Very high143 Ų143108.6 Ų108.667%0.66852%0.518SS*.Hα-helixtrans-63.6-38.6178.1-174.9169.7-2.700111.8R86 E87 H93 S94R86-Q90 WeakPolarHBondContact O-CB 3.49Å; R86-Q90 PolarHBondContact O-N 2.84Å; E87-Q90 CarbonylContact O-C 3.58Å; E87-Q90 WeakPolarHBondContact O-CA 3.45Å; E87-Q90 WeakPolarHBondContact O-CB 3.21Å; E87-Q90 PolarHBondContact O-N 2.87Å; Q90-H93 PolarHBondContact O-N 3.35Å; Q90-S94 WeakPolarHBondContact O-CB 3.05Å; Q90-S94 PolarHBondContact O-N 3.49Å
91E97.6Very high96.6Very high114 Ų114108.3 Ų108.353%0.53352%0.516SS..Hα-helixtrans-63.6-47.1173.6-72.9179.5169.900111.5E87 L89 H93 S94 E95E87-E91 WeakPolarHBondContact O-CG 3.39Å; E87-E91 PolarHBondContact O-N 3.48Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.91Å; E91-H93 PolarHBondContact O-N 3.01Å; E91-S94 WeakPolarHBondContact CA-OG 3.31Å; E91-S94 PolarHBondContact O-N 2.94Å; E91-S94 PolarHBondContact O-OG 3.04Å; E91-E95 WeakPolarHBondContact O-CB 3.47Å; E91-E95 WeakPolarHBondContact O-CG 3.33Å; E91-E95 PolarHBondContact O-N 3.27Å
92K97.9Very high96.7Very high110 Ų110105.2 Ų105.248%0.47851%0.509SS..Hα-helixtrans-58.3-35.6174.3-74.4169.3-177.9163.90112.4E88 L89 K96E88-K92 WeakPolarHBondContact O-CG 3.28Å; E88-K92 PolarHBondContact O-N 2.96Å; L89-K92 PolarHBondContact O-N 3.07Å; K92-K96 WeakPolarHBondContact O-CB 3.37Å; K92-K96 WeakPolarHBondContact O-CD 3.32Å; K92-K96 WeakPolarHBondContact O-CG 3.02Å; K92-K96 PolarHBondContact O-N 3.36Å
93H96.3Very high96.8Very high123 Ų123104 Ų10457%0.56951%0.512SS*.Hα-helixtrans-72.2-39.6174.9-77-66.8000112.4L89 Q90 E91 K96 A97L89-H93 PolarHBondContact O-CD2 3.4Å; L89-H93 PolarHBondContact O-N 2.82Å; Q90-H93 PolarHBondContact O-N 3.35Å; E91-H93 PolarHBondContact O-N 3.01Å; H93-K96 PolarHBondContact O-N 3.31Å; H93-A97 PolarHBondContact O-N 3.24Å
94S96.9Very high96.7Very high66 Ų66100 Ų10046%0.46250%0.498SS..Hα-helixtrans-68.8-40.9178.272.60000111.6Q90 E91 K96 A97 F98Q90-S94 WeakPolarHBondContact O-CB 3.05Å; Q90-S94 PolarHBondContact O-N 3.49Å; E91-S94 WeakPolarHBondContact CA-OG 3.31Å; E91-S94 PolarHBondContact O-N 2.94Å; E91-S94 PolarHBondContact O-OG 3.04Å; S94-K96 VanDerWaalsContact C-N 3.35Å; S94-K96 PolarHBondContact O-N 3.05Å; S94-A97 PolarHBondContact O-N 3.32Å; S94-F98 WeakPolarHBondContact O-CB 3.28Å; S94-F98 PolarHBondContact O-N 2.77Å
95E98Very high96.7Very high123 Ų12398.7 Ų98.758%0.57549%0.493SS*.Hα-helixtrans-61-41.6173.5-74-179.1167.400111.7E91 F98 S99E91-E95 WeakPolarHBondContact O-CB 3.47Å; E91-E95 WeakPolarHBondContact O-CG 3.33Å; E91-E95 PolarHBondContact O-N 3.27Å; E95-F98 PolarHBondContact O-N 2.96Å; E95-S99 VanDerWaalsContact O-CB 3.28Å; E95-S99 WeakPolarHBondContact O-CB 3.35Å; E95-S99 PolarHBondContact O-N 3.48Å; E95-S99 PolarHBondContact O-OG 3.18Å
96K97.3Very high96.7Very high137 Ų137101.5 Ų101.560%0.59649%0.494SS*.Hα-helixtrans-63.1-40.6174-77.5174.2-176.6-179.70112.3K92 H93 S94 S99 Y100K92-K96 WeakPolarHBondContact O-CB 3.37Å; K92-K96 WeakPolarHBondContact O-CD 3.32Å; K92-K96 WeakPolarHBondContact O-CG 3.02Å; K92-K96 PolarHBondContact O-N 3.36Å; H93-K96 PolarHBondContact O-N 3.31Å; S94-K96 VanDerWaalsContact C-N 3.35Å; S94-K96 PolarHBondContact O-N 3.05Å; K96-S99 WeakPolarHBondContact CA-OG 3.25Å; K96-S99 PolarHBondContact O-OG 2.97Å; K96-Y100 WeakPolarHBondContact O-CB 3.41Å; K96-Y100 PolarHBondContact O-N 3.03Å; K96-Y100 VanDerWaalsContact O-N 3.08Å
97A96.6Very high96.7Very high60 Ų6097.3 Ų97.350%0.49649%0.486SS..Hα-helixtrans-66.8-43.8176.600000111.4H93 S94 Y100 Q101H93-A97 PolarHBondContact O-N 3.24Å; S94-A97 PolarHBondContact O-N 3.32Å; A97-Y100 PolarHBondContact O-N 3.13Å; A97-Q101 WeakPolarHBondContact O-CB 3.17Å; A97-Q101 PolarHBondContact O-N 2.68Å
98F98Very high96.6Very high115 Ų115100.1 Ų100.150%0.50449%0.491SS..Hα-helixtrans-64.6-48.7178.2-177.4-95.7000111.8S94 E95 Y100 Q101 E102S94-F98 WeakPolarHBondContact O-CB 3.28Å; S94-F98 PolarHBondContact O-N 2.77Å; E95-F98 PolarHBondContact O-N 2.96Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.43Å; F98-Q101 WeakPolarHBondContact O-CB 3.47Å; F98-Q101 PolarHBondContact O-N 2.8Å; F98-Q101 VanDerWaalsContact O-N 3.11Å; F98-E102 VanDerWaalsContact CE1-OE2 3.24Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.42Å; F98-E102 PolarHBondContact O-N 3.04Å
99S97.1Very high96.4Very high60 Ų60101.6 Ų101.642%0.4250%0.498SS..Hα-helixtrans-60.4-37.8177.154.90000112.4E95 K96 S103E95-S99 VanDerWaalsContact O-CB 3.28Å; E95-S99 WeakPolarHBondContact O-CB 3.35Å; E95-S99 PolarHBondContact O-N 3.48Å; E95-S99 PolarHBondContact O-OG 3.18Å; K96-S99 WeakPolarHBondContact CA-OG 3.25Å; K96-S99 PolarHBondContact O-OG 2.97Å; S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.24Å; S99-S103 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-OG 2.84Å
100Y96.4Very high96.3Very high120 Ų120102.9 Ų102.947%0.47150%0.502SS..Hα-helixtrans-66.6-42.6173.3-179.5-99.3000112.3K96 A97 F98 E102 V104 L105K96-Y100 WeakPolarHBondContact O-CB 3.41Å; K96-Y100 PolarHBondContact O-N 3.03Å; K96-Y100 VanDerWaalsContact O-N 3.08Å; A97-Y100 PolarHBondContact O-N 3.13Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.43Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 3.21Å; Y100-V104 HydrophobicContact CD2-CB 3.91Å; Y100-V104 HydrophobicContact CD2-CG1 4.47Å; Y100-V104 HydrophobicContact CD2-CG2 3.63Å; Y100-V104 HydrophobicContact CE2-CB 3.7Å; Y100-V104 HydrophobicContact CE2-CG1 3.76Å; Y100-V104 HydrophobicContact CE2-CG2 3.65Å; Y100-V104 HydrophobicContact CG-CB 4.44Å; Y100-V104 HydrophobicContact CG-CG2 4.47Å; Y100-V104 WeakPolarHBondContact O-CA 3.44Å; Y100-V104 WeakPolarHBondContact O-CB 3.13Å; Y100-V104 PolarHBondContact O-N 3.46Å; Y100-L105 HydrophobicContact CD1-CD1 4.19Å; Y100-L105 HydrophobicContact CD1-CG 4.08Å; Y100-L105 HydrophobicContact CE1-CD1 4.03Å; Y100-L105 HydrophobicContact CE1-CD2 3.78Å; Y100-L105 HydrophobicContact CE1-CG 3.76Å; Y100-L105 PolarHBondContact O-N 3.19Å
101Q95.6Very high96.2Very high104 Ų10498.7 Ų98.749%0.48649%0.488SS..Iπ-helixtrans-60.9-41.7177-179.5172.7-13.600111.6A97 F98 L105 R106A97-Q101 WeakPolarHBondContact O-CB 3.17Å; A97-Q101 PolarHBondContact O-N 2.68Å; F98-Q101 WeakPolarHBondContact O-CB 3.47Å; F98-Q101 PolarHBondContact O-N 2.8Å; F98-Q101 VanDerWaalsContact O-N 3.11Å; Q101-L105 HydrophobicContact CB-CD1 4.43Å; Q101-L105 HydrophobicContact CG-CD1 4.44Å; Q101-L105 WeakPolarHBondContact O-CB 3.5Å; Q101-L105 PolarHBondContact O-N 3.28Å; Q101-R106 PolarHBondContact O-N 3.01Å
102E95.8Very high96.1Very high91 Ų9195.9 Ų95.943%0.42548%0.481SS..Iπ-helixtrans-77-45.7-179.9-173.8155.8-127.300113.1F98 Y100 R106 P107F98-E102 VanDerWaalsContact CE1-OE2 3.24Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.42Å; F98-E102 PolarHBondContact O-N 3.04Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 3.21Å; E102-R106 IonicContact OE1-NH1 3.79Å; E102-R106 PolarHBondContact OE1-NH1 2.84Å; E102-P107 WeakPolarHBondContact O-CD 3.25Å
103S95.3Very high96Very high80 Ų8094.9 Ų94.956%0.55948%0.479SS*.Iπ-helixtrans-81.5-27.5-175.4640000114.5S99 P107S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.24Å; S99-S103 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-OG 2.84Å; S103-P107 WeakPolarHBondContact O-CG 3.38Å
104V94.9Very high96Very high39 Ų3996.8 Ų96.824%0.23648%0.481CS..Iπ-helixtrans-113.5-51.5-174.5-176.30000111.9Y100 R108Y100-V104 HydrophobicContact CD2-CB 3.91Å; Y100-V104 HydrophobicContact CD2-CG1 4.47Å; Y100-V104 HydrophobicContact CD2-CG2 3.63Å; Y100-V104 HydrophobicContact CE2-CB 3.7Å; Y100-V104 HydrophobicContact CE2-CG1 3.76Å; Y100-V104 HydrophobicContact CE2-CG2 3.65Å; Y100-V104 HydrophobicContact CG-CB 4.44Å; Y100-V104 HydrophobicContact CG-CG2 4.47Å; Y100-V104 WeakPolarHBondContact O-CA 3.44Å; Y100-V104 WeakPolarHBondContact O-CB 3.13Å; Y100-V104 PolarHBondContact O-N 3.46Å; V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 VanDerWaalsContact O-CG 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.32Å; V104-R108 PolarHBondContact O-N 3.05Å
105L94.4Very high96Very high80 Ų8099.4 Ų99.442%0.41949%0.485SS..Iπ-helixtrans-74.9-48.1-170.9-60.8-178.1000112.4Y100 Q101 R108 Q109Y100-L105 HydrophobicContact CD1-CD1 4.19Å; Y100-L105 HydrophobicContact CD1-CG 4.08Å; Y100-L105 HydrophobicContact CE1-CD1 4.03Å; Y100-L105 HydrophobicContact CE1-CD2 3.78Å; Y100-L105 HydrophobicContact CE1-CG 3.76Å; Y100-L105 PolarHBondContact O-N 3.19Å; Q101-L105 HydrophobicContact CB-CD1 4.43Å; Q101-L105 HydrophobicContact CG-CD1 4.44Å; Q101-L105 WeakPolarHBondContact O-CB 3.5Å; Q101-L105 PolarHBondContact O-N 3.28Å; L105-R108 PolarHBondContact O-N 3.18Å; L105-Q109 PolarHBondContact O-N 3.33Å
106R95.7Very high95.9Very high108 Ų10899 Ų9941%0.40848%0.481SS..Hα-helixtrans-58.9-51.8178.8-81.6-172.9-175.81611.8112.7Q101 E102 R108 Q109 E110Q101-R106 PolarHBondContact O-N 3.01Å; E102-R106 IonicContact OE1-NH1 3.79Å; E102-R106 PolarHBondContact OE1-NH1 2.84Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3Å; R106-Q109 WeakPolarHBondContact O-CB 3.45Å; R106-Q109 PolarHBondContact O-N 2.63Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.39Å
107P97.8Very high95.7Very high58 Ų5897.5 Ų97.538%0.37748%0.476SS..Hα-helixtrans-61.7-34.2178.7-27.936.7000113.5E102 S103 S111E102-P107 WeakPolarHBondContact O-CD 3.25Å; S103-P107 WeakPolarHBondContact O-CG 3.38Å; P107-S111 WeakPolarHBondContact O-CB 3.43Å; P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 2.92Å
108R94.7Very high95.5Very high168 Ų16899.4 Ų99.463%0.63448%0.475SS*.Hα-helixtrans-65.1-41.9173.2-80.3-176.9173.1-176.10.6111.9V104 L105 R106 S111 S112V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 VanDerWaalsContact O-CG 3.26Å; V104-R108 WeakPolarHBondContact O-CG 3.32Å; V104-R108 PolarHBondContact O-N 3.05Å; L105-R108 PolarHBondContact O-N 3.18Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3Å; R108-S111 PolarHBondContact O-OG 2.71Å; R108-S112 WeakPolarHBondContact O-CB 3.42Å; R108-S112 PolarHBondContact O-N 3.34Å; R108-S112 VanDerWaalsContact O-N 3.1Å
109Q93.4Very high95.2Very high137 Ų137101.6 Ų101.664%0.6448%0.48SS*.Hα-helixtrans-67.4-46.8177.3-173.2173.7-7.900111.3L105 R106 S112 M113L105-Q109 PolarHBondContact O-N 3.33Å; R106-Q109 WeakPolarHBondContact O-CB 3.45Å; R106-Q109 PolarHBondContact O-N 2.63Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.89Å; Q109-M113 WeakPolarHBondContact O-CG 3.33Å; Q109-M113 PolarHBondContact O-N 2.79Å
110E95.4Very high94.9Very high125 Ų125104.6 Ų104.658%0.58449%0.485SS*.Hα-helixtrans-61.7-47.8177.8-73173.6-167.600112R106 S112 M113 R114R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.39Å; E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 PolarHBondContact O-N 2.73Å; E110-M113 PolarHBondContact O-N 3.15Å; E110-M113 VanDerWaalsContact O-N 3.09Å; E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å
111S95.5Very high94.4Very high55 Ų55106.4 Ų106.439%0.38549%0.492SS..Hα-helixtrans-61.9-34.6176.561.10000112.4P107 R108 K115P107-S111 WeakPolarHBondContact O-CB 3.43Å; P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 2.92Å; R108-S111 PolarHBondContact O-OG 2.71Å; S111-K115 WeakPolarHBondContact O-CB 3.38Å; S111-K115 VanDerWaalsContact O-CG 3.22Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.13Å
112S95.6Very high93.9Very high55 Ų55110 Ų11039%0.38550%0.502SS..Hα-helixtrans-67.1-41.2173171.30000112.1R108 Q109 E110 K116R108-S112 WeakPolarHBondContact O-CB 3.42Å; R108-S112 PolarHBondContact O-N 3.34Å; R108-S112 VanDerWaalsContact O-N 3.1Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.89Å; E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 PolarHBondContact O-N 2.73Å; S112-K116 WeakPolarHBondContact O-CG 3.24Å; S112-K116 PolarHBondContact O-N 3Å
113M95.8Very high93.1Very high89 Ų89111.8 Ų111.844%0.43851%0.511SS..Hα-helixtrans-67.3-46.5176.5-68.3-58.6-69.100111.4Q109 E110 K115 K116 E117Q109-M113 WeakPolarHBondContact O-CG 3.33Å; Q109-M113 PolarHBondContact O-N 2.79Å; E110-M113 PolarHBondContact O-N 3.15Å; E110-M113 VanDerWaalsContact O-N 3.09Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 3.26Å; M113-K116 WeakPolarHBondContact O-CA 3.23Å; M113-K116 VanDerWaalsContact O-CB 3.31Å; M113-K116 WeakPolarHBondContact O-CB 3.41Å; M113-K116 PolarHBondContact O-N 3.48Å; M113-K116 HydrophobicContact SD-CD 4.32Å; M113-E117 PolarHBondContact O-N 3.38Å
114R96.1Very high92.3Very high162 Ų162112 Ų11261%0.61151%0.509SS*.Hα-helixtrans-57.7-43.2175.5-174.4178.3171.8159.87.3112.2E110 K116 E117 E118E110-R114 WeakPolarHBondContact O-CB 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; R114-K116 PolarHBondContact O-N 3.28Å; R114-E117 PolarHBondContact O-N 2.87Å; R114-E118 HydrophobicContact CG-CG 4.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 IonicContact NE-OE1 3.22Å; R114-E118 PolarHBondContact NE-OE1 2.82Å; R114-E118 IonicContact NH2-OE1 3.41Å; R114-E118 WeakPolarHBondContact O-CB 3.46Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 2.96Å
115K96.9Very high91.4Very high122 Ų122111.3 Ų111.353%0.5351%0.51SS..Hα-helixtrans-63-24.3173.7-78.4176-179.4-179.20113.9S111 M113 R119S111-K115 WeakPolarHBondContact O-CB 3.38Å; S111-K115 VanDerWaalsContact O-CG 3.22Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.13Å; M113-K115 VanDerWaalsContact C-N 3.33Å; M113-K115 PolarHBondContact O-N 3.26Å; K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 WeakPolarHBondContact O-CG 3.49Å; K115-R119 PolarHBondContact O-N 3.32Å; K115-R119 PolarHBondContact O-NE 2.85Å; K115-R119 VanDerWaalsContact O-NE 3.14Å
116K95.5Very high89.9Confident115 Ų115114.3 Ų114.350%0.552%0.522SS..Hα-helixtrans-79.5-42.5173.3-68.5171.4-176.8178.60110.4S112 M113 R114 R119 F120S112-K116 WeakPolarHBondContact O-CG 3.24Å; S112-K116 PolarHBondContact O-N 3Å; M113-K116 WeakPolarHBondContact O-CA 3.23Å; M113-K116 VanDerWaalsContact O-CB 3.31Å; M113-K116 WeakPolarHBondContact O-CB 3.41Å; M113-K116 PolarHBondContact O-N 3.48Å; M113-K116 HydrophobicContact SD-CD 4.32Å; R114-K116 PolarHBondContact O-N 3.28Å; K116-R119 PolarHBondContact O-N 3.44Å; K116-F120 WeakPolarHBondContact O-CB 3.41Å; K116-F120 PolarHBondContact O-N 3.05Å
117E93.4Very high88.1Confident105 Ų105115 Ų11549%0.49154%0.538SS..Hα-helixtrans-62.1-48.6174.5-69.9170-173.400111.5M113 R114 R119 F120 Y121M113-E117 PolarHBondContact O-N 3.38Å; R114-E117 PolarHBondContact O-N 2.87Å; E117-R119 VanDerWaalsContact C-N 3.26Å; E117-R119 PolarHBondContact O-N 3.32Å; E117-F120 CarbonylContact O-C 3.58Å; E117-F120 WeakPolarHBondContact O-CA 3.35Å; E117-F120 WeakPolarHBondContact O-CB 3.36Å; E117-F120 PolarHBondContact O-N 3.19Å; E117-Y121 HydrophobicContact CB-CD2 4.43Å; E117-Y121 HydrophobicContact CB-CE2 4.4Å; E117-Y121 WeakPolarHBondContact O-CD2 3.48Å; E117-Y121 PolarHBondContact O-N 3.4Å
118E92.9Very high86.3Confident100 Ų100120 Ų12047%0.46755%0.55SS..Hα-helixtrans-58.9-38.6175.1-73.8172.1-175.700111.4R114 R122R114-E118 HydrophobicContact CG-CG 4.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.48Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 IonicContact NE-OE1 3.22Å; R114-E118 PolarHBondContact NE-OE1 2.82Å; R114-E118 IonicContact NH2-OE1 3.41Å; R114-E118 WeakPolarHBondContact O-CB 3.46Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.42Å; E118-R122 PolarHBondContact O-N 3Å
119R90.4Very high84.7Confident161 Ų161118.5 Ų118.561%0.60855%0.548SS*.Hα-helixtrans-67.2-39.8173.1-87.6-172.4-81.1-171.2-5.5112.3K115 K116 E117 R122 M123K115-R119 WeakPolarHBondContact O-CB 3.48Å; K115-R119 WeakPolarHBondContact O-CG 3.49Å; K115-R119 PolarHBondContact O-N 3.32Å; K115-R119 PolarHBondContact O-NE 2.85Å; K115-R119 VanDerWaalsContact O-NE 3.14Å; K116-R119 PolarHBondContact O-N 3.44Å; E117-R119 VanDerWaalsContact C-N 3.26Å; E117-R119 PolarHBondContact O-N 3.32Å; R119-R122 PolarHBondContact O-N 2.96Å; R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.27Å; R119-M123 VanDerWaalsContact O-N 3.17Å
120F91.7Very high83Confident123 Ų123119.3 Ų119.354%0.53956%0.556SS.*Hα-helixtrans-61.2-55.2176177.6-96.6000110.2K116 E117 R122 M123 T124K116-F120 WeakPolarHBondContact O-CB 3.41Å; K116-F120 PolarHBondContact O-N 3.05Å; E117-F120 CarbonylContact O-C 3.58Å; E117-F120 WeakPolarHBondContact O-CA 3.35Å; E117-F120 WeakPolarHBondContact O-CB 3.36Å; E117-F120 PolarHBondContact O-N 3.19Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å; F120-M123 PolarHBondContact O-N 2.88Å; F120-T124 HydrophobicContact CD2-CG2 4.45Å; F120-T124 HydrophobicContact CE1-CG2 4.28Å; F120-T124 HydrophobicContact CE2-CG2 4.03Å; F120-T124 HydrophobicContact CZ-CG2 3.94Å; F120-T124 PolarHBondContact O-N 2.97Å; F120-T124 PolarHBondContact O-OG1 3.23Å
121Y86.5Confident81.5Confident157 Ų157119.6 Ų119.662%0.61657%0.566SS**Hα-helixtrans-65.6-30.3178.5-70.2-64.1000113.3E117 M123 T124 G125E117-Y121 HydrophobicContact CB-CD2 4.43Å; E117-Y121 HydrophobicContact CB-CE2 4.4Å; E117-Y121 WeakPolarHBondContact O-CD2 3.48Å; E117-Y121 PolarHBondContact O-N 3.4Å; Y121-M123 PolarHBondContact O-N 3.13Å; Y121-T124 WeakPolarHBondContact CA-OG1 3.43Å; Y121-G125 VanDerWaalsContact O-CA 3.27Å; Y121-G125 WeakPolarHBondContact O-CA 3.43Å; Y121-G125 PolarHBondContact O-N 3.36Å
122R84.9Confident79.8Confident181 Ų181125 Ų12568%0.68359%0.59SS**Hα-helixtrans-61.9-35.4171-178.6176.9179.1-173.40.3111.5E118 R119 F120 W128E118-R122 WeakPolarHBondContact O-CB 3.42Å; E118-R122 PolarHBondContact O-N 3Å; R119-R122 PolarHBondContact O-N 2.96Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å; R122-W128 PolarHBondContact O-NE1 3.1Å
123M78.8Confident78.3Confident128 Ų128125.6 Ų125.663%0.63161%0.606SS**Hα-helixtrans-87-27.8-178.6-65.3-69.3-68.700113R119 F120 Y121 W128R119-M123 VanDerWaalsContact O-CG 3.23Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.27Å; R119-M123 VanDerWaalsContact O-N 3.17Å; F120-M123 PolarHBondContact O-N 2.88Å; Y121-M123 PolarHBondContact O-N 3.13Å; M123-W128 HydrophobicContact SD-CZ2 3.89Å
124T78.8Confident76.7Confident84 Ų84130.1 Ų130.152%0.51563%0.626SS.*Hα-helixtrans-103.4-9.4-177.853.10000114.2F120 Y121F120-T124 HydrophobicContact CD2-CG2 4.45Å; F120-T124 HydrophobicContact CE1-CG2 4.28Å; F120-T124 HydrophobicContact CE2-CG2 4.03Å; F120-T124 HydrophobicContact CZ-CG2 3.94Å; F120-T124 PolarHBondContact O-N 2.97Å; F120-T124 PolarHBondContact O-OG1 3.23Å; Y121-T124 WeakPolarHBondContact CA-OG1 3.43Å
125G74.2Confident74.8Confident24 Ų24131.6 Ų131.625%0.24764%0.639CS.*SBendtrans-69158.2178.400000113Y121 T127 W128Y121-G125 VanDerWaalsContact O-CA 3.27Å; Y121-G125 WeakPolarHBondContact O-CA 3.43Å; Y121-G125 PolarHBondContact O-N 3.36Å; G125-T127 PolarHBondContact O-N 2.96Å; G125-W128 PolarHBondContact O-N 3.33Å
126E63.9Low72.9Confident143 Ų143134 Ų13467%0.66866%0.657SS**G310 helixtrans-63.5-7.7179.9-51.7-163.2123.300113.6W128 K129E126-W128 PolarHBondContact O-N 3.44Å; E126-K129 HydrophobicContact CB-CD 4.2Å; E126-K129 HydrophobicContact CG-CD 4.3Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 IonicContact OE1-NZ 2.91Å; E126-K129 PolarHBondContact OE1-NZ 3.09Å
127T58.7Low70.6Confident122 Ų122131.7 Ų131.775%0.74867%0.666SS**G310 helixtrans-65.2-17.3173.546.80000114.3G125G125-T127 PolarHBondContact O-N 2.96Å
128W59.2Low68.2Low164 Ų164136.5 Ų136.562%0.62169%0.689SS**G310 helixtrans-94.1-11169.3-70.982.5000113.6R122 M123 G125 E126 L130R122-W128 PolarHBondContact O-NE1 3.1Å; M123-W128 HydrophobicContact SD-CZ2 3.89Å; G125-W128 PolarHBondContact O-N 3.33Å; E126-W128 PolarHBondContact O-N 3.44Å; W128-L130 PolarHBondContact O-N 2.98Å; W128-L130 VanDerWaalsContact O-N 3.14Å
129K61.3Low65.4Low136 Ų136135.6 Ų135.659%0.59171%0.706SS**SBendtrans-72.8110.4169.8-61.9179.6-175171.20105.2E126 T131E126-K129 HydrophobicContact CB-CD 4.2Å; E126-K129 HydrophobicContact CG-CD 4.3Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 2.91Å; E126-K129 IonicContact OE1-NZ 2.91Å; E126-K129 PolarHBondContact OE1-NZ 3.09Å; K129-T131 PolarHBondContact O-N 3.49Å
130L58.2Low63.1Low154 Ų154136.8 Ų136.881%0.80672%0.719SS**  trans-44.9127.4170.9-82.997.5000108W128W128-L130 PolarHBondContact O-N 2.98Å; W128-L130 VanDerWaalsContact O-N 3.14Å
131T63.5Low60.7Low131 Ų131136 Ų13680%0.80473%0.728SS**SBendtrans-45.2140.9158.540.70000108.9K129 G133K129-T131 PolarHBondContact O-N 3.49Å; T131-G133 PolarHBondContact O-N 3.33Å
132D60.4Low58.1Low168 Ų168136.9 Ų136.990%0.89874%0.743SS**SBendtrans-21.6111.2-172.3-75.9-27.3000113.5E134D132-E134 PolarHBondContact O-N 3.46Å
133G63Low55.5Low68 Ų68131.8 Ų131.870%0.70175%0.746SS**  trans-59.3125.1-171.500000112T131T131-G133 PolarHBondContact O-N 3.33Å
134E63.1Low53.4Low184 Ų184135.3 Ų135.386%0.8676%0.761SS**  trans-75.1127.7171.9-168148.8176.500110D132 L136D132-E134 PolarHBondContact O-N 3.46Å; E134-L136 PolarHBondContact O-N 2.94Å; E134-L136 VanDerWaalsContact O-N 3.14Å
135Q56Low51Low193 Ų193137 Ų13790%0.90278%0.776SS**  trans-78.298.9-170.9-138.9175.221.700110G137Q135-G137 PolarHBondContact O-N 2.66Å
136L56.7Low49Very low172 Ų172140.4 Ų140.490%0.90180%0.802SS**  trans-87.295.2171.1-69.4173.4000109.6E134E134-L136 PolarHBondContact O-N 2.94Å; E134-L136 VanDerWaalsContact O-N 3.14Å
137G47.2Very low47.7Very low67 Ų67143 Ų14369%0.69181%0.814SS**  trans-84.6150.917000000113.3Q135Q135-G137 PolarHBondContact O-N 2.66Å
138E42.9Very low46.6Very low207 Ų207145.9 Ų145.997%0.96782%0.819SS**  trans62.6112.6150.7-89.1178.6155.900120.9
139G34.8Very low46Very low80 Ų80143 Ų14383%0.82583%0.83SS**  trans161108.4158.700000113.4
140E41.2Very low45.1Very low187 Ų187142.5 Ų142.587%0.87484%0.839SS**  trans-81.3150.3-166.4-55.7179.2152.700116.6
141S40.7Very low44.7Very low105 Ų105143.3 Ų143.373%0.73484%0.844SS**  trans67.8116.4144.780.70000121.3
142L32.2Very low44.4Very low177 Ų177138.8 Ų138.893%0.92782%0.823SS**  -171129.3115.2-143.780.6000112.1
143G30.9Very low45Very low74 Ų74135 Ų13576%0.76381%0.806SS**  trans76.988.1138.800000119.3
144Q33.8Very low45.1Very low202 Ų202137 Ų13794%0.94481%0.806SS**  trans-60.5136.1156.8-69.1165.9-900111.5
145S28.2Very low45.3Very low119 Ų119134.2 Ų134.283%0.83280%0.798SS**  trans-161.1117.5131.3-146.30000113.4
146A33.5Very low46Very low95 Ų95130.5 Ų130.579%0.78578%0.78SS**  trans55.383.7147.700000119.6
147Q35.4Very low46.5Very low198 Ų198126 Ų12693%0.92576%0.755SS**  trans-79111.9146.5-76.5176.5-37.200108.8A149Q147-A149 PolarHBondContact O-N 3.41Å
148E37.2Very low47.3Very low183 Ų183124.6 Ų124.686%0.85574%0.736SS**  trans-65.2110159-97.1-177.5151.900108.4V150E148-V150 PolarHBondContact O-N 3.22Å; E148-V150 VanDerWaalsContact O-N 3.16Å
149A45.3Very low48.3Very low103 Ų103118.3 Ų118.385%0.85171%0.712SS**  trans-69.4103.617200000109.5Q147Q147-A149 PolarHBondContact O-N 3.41Å
150V42.4Very low49.9Very low126 Ų126123.8 Ų123.876%0.76471%0.708SS**  trans-99.3105.5167177.70000108.2E148 G152E148-V150 PolarHBondContact O-N 3.22Å; E148-V150 VanDerWaalsContact O-N 3.16Å; V150-G152 PolarHBondContact O-N 3.02Å
151D50.7Low51Low171 Ų171124.3 Ų124.391%0.91470%0.702SS**  trans-67.192.6174.6-174.727.1000110.2
152G57.9Low51.9Low36 Ų36129.7 Ų129.737%0.37171%0.706SS.*  trans-155125.7178.900000111.4V150V150-G152 PolarHBondContact O-N 3.02Å
153T71.1Confident53Low89 Ų89128.6 Ų128.655%0.54669%0.694SS.*  trans-60.9143.8175.5-25.20000109N155 Q156 E157T153-N155 PolarHBondContact O-N 2.96Å; T153-Q156 WeakPolarHBondContact O-CA 3.36Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.2Å; T153-E157 PolarHBondContact O-N 3.44Å
154P65.3Low53.8Low108 Ų108132.7 Ų132.770%0.70170%0.697SS**Hα-helixtrans-52.8-27-177.2-29.234.1000114.7A158P154-A158 WeakPolarHBondContact O-CB 3.47Å; P154-A158 PolarHBondContact O-N 2.99Å
155N67.5Low54.5Low127 Ų127127.9 Ų127.968%0.67968%0.684SS**Hα-helixtrans-72-30.8176.9-138.910.8000113T153 V159T153-N155 PolarHBondContact O-N 2.96Å; N155-V159 VanDerWaalsContact O-CG2 3.23Å; N155-V159 WeakPolarHBondContact O-CG2 3.39Å; N155-V159 PolarHBondContact O-N 3.01Å; N155-V159 VanDerWaalsContact O-N 3.1Å
156Q71Confident55.4Low114 Ų114130.5 Ų130.553%0.53368%0.683SS.*Hα-helixtrans-72.3-38.3174.3-68.2179.4-10.300111.3T153 V159 R160T153-Q156 WeakPolarHBondContact O-CA 3.36Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.2Å; Q156-V159 PolarHBondContact O-N 2.73Å; Q156-R160 PolarHBondContact O-N 3.36Å
157E66.6Low55.9Low78 Ų78131.2 Ų131.236%0.36468%0.682SS.*Hα-helixtrans-65.7-41.9174.4-179.358-162.400111.1T153 V159 R160 R161T153-E157 PolarHBondContact O-N 3.44Å; E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.47Å; E157-R160 PolarHBondContact O-N 3.2Å; E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.17Å; E157-R161 IonicContact OE1-CZ 3.37Å; E157-R161 IonicContact OE1-NE 2.8Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.02Å; E157-R161 PolarHBondContact OE1-NH2 3.35Å
158A65.4Low56.5Low37 Ų37126.1 Ų126.131%0.30667%0.673SS.*Hα-helixtrans-63.7-31.9173.500000113.2P154 R162P154-A158 WeakPolarHBondContact O-CB 3.47Å; P154-A158 PolarHBondContact O-N 2.99Å; A158-R162 WeakPolarHBondContact O-CG 3.23Å; A158-R162 PolarHBondContact O-N 3.31Å
159V63.9Low56.6Low76 Ų76123.1 Ų123.146%0.46167%0.668SS.*Hα-helixtrans-74.5-38.9173.8169.10000111.6N155 Q156 E157 R162 K163N155-V159 VanDerWaalsContact O-CG2 3.23Å; N155-V159 WeakPolarHBondContact O-CG2 3.39Å; N155-V159 PolarHBondContact O-N 3.01Å; N155-V159 VanDerWaalsContact O-N 3.1Å; Q156-V159 PolarHBondContact O-N 2.73Å; E157-V159 VanDerWaalsContact C-N 3.29Å; E157-V159 PolarHBondContact O-N 3.47Å; V159-R162 PolarHBondContact O-N 2.75Å; V159-K163 PolarHBondContact O-N 3.17Å
160R68.1Low56.3Low194 Ų194129.2 Ų129.273%0.73267%0.669SS**Hα-helixtrans-60.2-44.4173.2-87.2-172.475.5121-2111.5Q156 E157 R162 K163Q156-R160 PolarHBondContact O-N 3.36Å; E157-R160 PolarHBondContact O-N 3.2Å; R160-R162 PolarHBondContact O-N 3.47Å; R160-K163 PolarHBondContact O-N 3.4Å
161R64.6Low56.1Low199 Ų199131.2 Ų131.275%0.75168%0.675SS**Hα-helixtrans-67.9-18.8-179.7-68.3-172.6-173.8-149.80.6114.5E157E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.17Å; E157-R161 IonicContact OE1-CZ 3.37Å; E157-R161 IonicContact OE1-NE 2.8Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.02Å; E157-R161 PolarHBondContact OE1-NH2 3.35Å
162R59.4Low55.4Low217 Ų217131.9 Ų131.982%0.81967%0.672SS**Hα-helixtrans-94.1-12.7176.5-70.7177.9-176.5176.82.2113.7A158 V159 R160A158-R162 WeakPolarHBondContact O-CG 3.23Å; A158-R162 PolarHBondContact O-N 3.31Å; V159-R162 PolarHBondContact O-N 2.75Å; R160-R162 PolarHBondContact O-N 3.47Å
163K55.5Low54.5Low155 Ų155135.3 Ų135.367%0.67469%0.688SS**SBendtrans-87.3114.5172.9-72.1-175.8177.9-169.40108.5V159 R160V159-K163 PolarHBondContact O-N 3.17Å; R160-K163 PolarHBondContact O-N 3.4Å
164L48Very low52.5Low160 Ų160140.7 Ų140.784%0.83870%0.703SS**  trans-49.4142.6166.9-11480000109.5E166L164-E166 PolarHBondContact O-N 2.87Å
165P47.8Very low51.2Low101 Ų101141.3 Ų141.366%0.65671%0.707SS**  trans-57.3126.7-179.120.4-29.9000111.2S167P165-S167 PolarHBondContact O-N 2.72Å
166E46Very low49.7Very low174 Ų174144.4 Ų144.481%0.81372%0.718SS**G310 helixtrans-69.29.3-176.6-144.8169.8-157.500113.3L164 A168L164-E166 PolarHBondContact O-N 2.87Å; E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 2.81Å
167S45.7Very low47.9Very low109 Ų109145.6 Ų145.676%0.76273%0.732SS**G310 helixtrans-77.3-6.617652.90000113.7P165P165-S167 PolarHBondContact O-N 2.72Å
168A46.5Very low46.6Very low91 Ų91147.3 Ų147.375%0.75275%0.75SS**G310 helixtrans-96.5-3.7177.100000114.7E166E166-A168 VanDerWaalsContact C-N 3.26Å; E166-A168 PolarHBondContact O-N 2.81Å
169T40.8Very low45.5Very low121 Ų121151.3 Ų151.374%0.74277%0.773SS**  trans-126.750.7-174.6-42.50000112.5
170R38.8Very low44.1Very low230 Ų230156.1 Ų156.187%0.86879%0.791SS**  trans-124.590.1164.1-74.9-163.4179.3-157.31.5111
171L37.8Very low42.5Very low169 Ų169155.9 Ų155.989%0.88580%0.795SS**SBendtrans-123.299.1150.5-72.5176.1000108.6
172H35.6Very low41.4Very low185 Ų185158 Ų15886%0.85680%0.803SS**  trans79.7145.2157.7-90.4-103.5000122.6
173P40Very low40.2Very low108 Ų108153.8 Ų153.870%0.70180%0.801SS**  trans-101.8151.3-15038.9-32.8000113.9
174K29.3Very low39.1Very low202 Ų202155.8 Ų155.888%0.87881%0.81SS**  trans-104.1133.2168.6-167.7169.1-176.1169.70109.8
175P36.9Very low38.6Very low120 Ų120154 Ų15478%0.77981%0.811SS**  trans-73.6148.3-173.4-1227.8000113.8
176E35.7Very low38.3Very low192 Ų192158 Ų15890%0.89782%0.821SS**  trans-65.5140.4175.1-68.7174133.400113.6
177V34.1Very low38.1Very low139 Ų139157.9 Ų157.984%0.84283%0.825SS**  trans-142.4141.3150.9178.30000108.9
178P38.8Very low38Very low115 Ų115164.5 Ų164.575%0.74783%0.833SS**  trans-90173.3-148.6-7.327.1000117.1
179P41.8Very low38.1Very low121 Ų121165 Ų16579%0.78683%0.831SS**  trans-93.6138.9-166.736-30.2000112.8
180Q35.9Very low38Very low177 Ų177168.5 Ų168.583%0.82784%0.839SS**  trans-136.1112.6161.8-69.4-165.3500113
181K34.3Very low38.3Very low188 Ų188161.7 Ų161.782%0.81784%0.84SS**  trans58.697.1140.1-65175.1177.8176.70115.9
182R40.3Very low38.1Very low243 Ų243162.2 Ų162.292%0.91784%0.836SS**  20.4101.779-80.4-168.5-174-170.73.3112.5
183V35Very low38.1Very low130 Ų130161.7 Ų161.779%0.78883%0.833SS**  trans-179.5136.8139.7150.30000108.1
184K32.8Very low38.2Very low197 Ų197164.6 Ų164.686%0.85784%0.841SS**  trans92.361.6174.6-66.6165.7-173.5-171.60117.8
185S35.7Very low38.7Very low122 Ų122159.4 Ų159.485%0.85383%0.827SS**  trans-95.871.7144.856.20000109.1
186E42.6Very low39.1Very low185 Ų185159.2 Ų159.286%0.86483%0.825SS**  trans-162.467.5174-129.7162.7-156.100111.1
187L40.9Very low39.2Very low172 Ų172156.4 Ų156.490%0.90182%0.822SS**  trans-163.773.8153-161.767.5000108.4
188R44.3Very low39.6Very low248 Ų248158 Ų15894%0.93682%0.818SS**  trans-117.175.6174.2-169.1-175.3-173.51792.3108.9
189S48.1Very low40.3Very low100 Ų100158.9 Ų158.970%0.69982%0.815SS**  trans-173.876.3157.854.60000110.4
190Q38.4Very low40.1Very low195 Ų195158.6 Ų158.691%0.91181%0.812SS**SBendtrans-164.6133148-106.3163.229.100108.4F192Q190-F192 PolarHBondContact O-N 3.35Å
191G45.4Very low40.6Very low87 Ų87154 Ų15490%0.89780%0.8SS**  trans-52.8120.9-166.300000113.3
192F34.3Very low41.3Very low181 Ų181152.6 Ų152.679%0.79480%0.797SS**  trans-104.3118.1174.1-166.2-105.8000109Q190Q190-F192 PolarHBondContact O-N 3.35Å
193Q34.5Very low41.7Very low173 Ų173146.9 Ų146.981%0.80879%0.788SS**  trans-55.3134.3173.1-62.4175.453.400109.3T195Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.12Å
194I43.1Very low42.9Very low170 Ų170142 Ų14287%0.87276%0.758SS**  trans-68.592.1175.1-57.5169.6000107.1
195T40.2Very low44.7Very low92 Ų92138.3 Ų138.356%0.56475%0.752SS**  trans-74.3136158.410.60000107.1Q193 T197Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.12Å; T195-T197 PolarHBondContact O-N 3.41Å; T195-T197 VanDerWaalsContact O-N 3.15Å
196P45.8Very low46.7Very low116 Ų116133.1 Ų133.175%0.75372%0.715SS**  trans-59.6125.3178.925.4-32.4000108.1F198P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.13Å
197T36Very low48.3Very low134 Ų134127.2 Ų127.282%0.82269%0.693SS**  trans-54.498.5174.5-54.70000108.5T195 I199T195-T197 PolarHBondContact O-N 3.41Å; T195-T197 VanDerWaalsContact O-N 3.15Å; T197-I199 PolarHBondContact O-N 3.29Å
198F44.1Very low49.8Very low173 Ų173128.2 Ų128.276%0.75969%0.693SS**  trans-64.5102.6169.5-161.5-97.8000105.6P196P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.13Å
199I51.8Low51.5Low133 Ų133120.5 Ų120.568%0.68267%0.667SS**  trans-49.4127.9165.4-60.3169.3000105T197 S201T197-I199 PolarHBondContact O-N 3.29Å; I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 2.98Å
200P39.5Very low52.9Low114 Ų114116.7 Ų116.774%0.7464%0.64SS**  trans-63.298.8176.725.9-31.8000106.7Q202P200-Q202 PolarHBondContact O-N 2.61Å
201S45.6Very low54.6Low81 Ų81110.6 Ų110.657%0.56662%0.623SS**  trans-58.392.7161.7-57.30000104.5I199 V203I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 2.98Å; S201-V203 PolarHBondContact O-N 2.88Å
202Q49.4Very low55.8Low159 Ų159113.6 Ų113.674%0.74361%0.614SS**  trans-49.3113.3166.5-167.6172.424.500104P200 V204P200-Q202 PolarHBondContact O-N 2.61Å; Q202-V204 WeakPolarHBondContact O-CG2 3.33Å; Q202-V204 PolarHBondContact O-N 2.95Å
203V47.7Very low57.6Low123 Ų123112.7 Ų112.775%0.74562%0.617SS**  trans-68.990.1-176.3179.10000105.1S201 V205S201-V203 PolarHBondContact O-N 2.88Å; V203-V205 VanDerWaalsContact C-N 3.28Å; V203-V205 HydrophobicContact CG1-CG2 3.93Å; V203-V205 PolarHBondContact O-N 3.48Å
204V61.3Low59.5Low26 Ų26106.5 Ų106.516%0.15860%0.596CS.*  trans-71.494.4175.3-173.40000105.7Q202 L206 D245 L248Q202-V204 WeakPolarHBondContact O-CG2 3.33Å; Q202-V204 PolarHBondContact O-N 2.95Å; V204-L206 HydrophobicContact CB-CD1 4.3Å; V204-L206 HydrophobicContact CG1-CD1 3.6Å; V204-L206 PolarHBondContact O-N 3.49Å; V204-L206 VanDerWaalsContact O-N 3.13Å; V204-D245 HydrophobicContact CG1-CB 3.36Å; V204-L248 HydrophobicContact CG2-CD2 3.69Å; V204-L248 HydrophobicContact CG2-CG 4.17Å
205V68.8Low61.1Low120 Ų120107.9 Ų107.973%0.72760%0.598SS**  trans-75.6100.6172.4-177.40000106.4V203V203-V205 VanDerWaalsContact C-N 3.28Å; V203-V205 HydrophobicContact CG1-CG2 3.93Å; V203-V205 PolarHBondContact O-N 3.48Å
206L78.2Confident63Low14 Ų14104.8 Ų104.87%0.07359%0.585CS.*PPolyproline II helixtrans-71.7142.7171.3-94.784.7000109.8V204 D245 W246 K249V204-L206 HydrophobicContact CB-CD1 4.3Å; V204-L206 HydrophobicContact CG1-CD1 3.6Å; V204-L206 PolarHBondContact O-N 3.49Å; V204-L206 VanDerWaalsContact O-N 3.13Å; L206-D245 HydrophobicContact CD1-CB 4.3Å; L206-W246 HydrophobicContact CD2-CB 3.59Å; L206-W246 HydrophobicContact CD2-CG 3.82Å; L206-K249 HydrophobicContact CD1-CB 3.76Å; L206-K249 HydrophobicContact CD1-CD 3.51Å; L206-K249 HydrophobicContact CD1-CG 4.26Å; L206-K249 HydrophobicContact CD2-CD 4.47Å; L206-K249 HydrophobicContact CG-CD 4.37Å
207P76.4Confident65Low61 Ų61100.5 Ų100.540%0.39656%0.557SS.*PPolyproline II helixtrans-58.5156.8176.223.5-31.6000111.1R232 V242P207-R232 PolarHBondContact O-NH2 3.4Å; P207-V242 HydrophobicContact CG-CG1 3.73Å
208E71.8Confident67.5Low192 Ų19294.2 Ų94.290%0.89752%0.518SS*.PPolyproline II helixtrans-65.3142.7177.8-169.5147.3-167.200110.8
209E80.3Confident69.7Low86 Ų8692.3 Ų92.340%0.40251%0.506SS..PPolyproline II helixtrans-72.1127.8-174.8-65.4-174.6-177.500110.2R232E209-R232 HydrophobicContact CG-CG 4.15Å; E209-R232 WeakPolarHBondContact OE1-CG 3.18Å; E209-R232 IonicContact OE1-CZ 3.85Å; E209-R232 IonicContact OE1-NE 3Å; E209-R232 IonicContact OE1-NH1 2.91Å; E209-R232 PolarHBondContact OE1-NH1 2.7Å
210P79.3Confident71.7Confident20 Ų2086 Ų8613%0.1347%0.473CS..PPolyproline II helixtrans-64.7149.4-178.426.9-34.2000111.4V217 R233 L235P210-V217 HydrophobicContact CB-CG2 3.9Å; P210-V217 HydrophobicContact CG-CG1 4.23Å; P210-V217 HydrophobicContact CG-CG2 4.11Å; P210-R233 WeakPolarHBondContact CD-O 3.4Å; P210-R233 HydrophobicContact CG-CB 3.94Å; P210-R233 PolarHBondContact O-NE 3Å; P210-L235 HydrophobicContact CB-CD2 4.03Å; P210-L235 HydrophobicContact CB-CG 4.09Å; P210-L235 HydrophobicContact CG-CD2 4.43Å; P210-L235 HydrophobicContact CG-CG 4.21Å
211A72.4Confident74.2Confident67 Ų6781 Ų8155%0.55444%0.441SS*.PPolyproline II helixtrans-64.5153.6176.700000111.6D213 A214A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.49Å; A211-A214 PolarHBondContact O-N 3.49Å
212E71.3Confident76.5Confident150 Ų15077.1 Ų77.170%0.70141%0.414SS*.THydrogen-bonded Turntrans-66.1-28.1-173-166.5162.1179.500113.6R233E212-R233 IonicContact OE2-NH1 3.02Å
213D71.4Confident78.6Confident162 Ų16275.4 Ų75.487%0.86640%0.401SS*.THydrogen-bonded Turntrans-94.85.4-175-56.2-43.4000114.2A211A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.49Å
214A74.6Confident80.7Confident43 Ų4370.1 Ų70.136%0.35537%0.37SS..SBendtrans-78.3133.6179.700000111.5A211 G216 V217A211-A214 PolarHBondContact O-N 3.49Å; A214-G216 PolarHBondContact O-N 3.33Å; A214-V217 HydrophobicContact CB-CG2 3.69Å; A214-V217 VanDerWaalsContact O-CG2 3.3Å; A214-V217 WeakPolarHBondContact O-CG2 3.34Å; A214-V217 PolarHBondContact O-N 3.33Å
215E76.8Confident82Confident199 Ų19972.5 Ų72.593%0.9339%0.386SS*.THydrogen-bonded Turntrans-63.7126.1-179.9-164.4170.3-166.600110.5
216G80.3Confident82.7Confident28 Ų2870.1 Ų70.129%0.28937%0.374SS..THydrogen-bonded Turntrans86.118.5-179.400000115.7A214 K236A214-G216 PolarHBondContact O-N 3.33Å; G216-K236 VanDerWaalsContact O-CG 3.31Å; G216-K236 WeakPolarHBondContact O-CG 3.41Å; G216-K236 PolarHBondContact O-N 2.91Å
217V87.5Confident83Confident26 Ų2672.8 Ų72.816%0.15841%0.405CS..EExtended strand (participates in β ladder)trans-77.1134.8170.5175.10000111.6P210 A214 R233 L235P210-V217 HydrophobicContact CB-CG2 3.9Å; P210-V217 HydrophobicContact CG-CG1 4.23Å; P210-V217 HydrophobicContact CG-CG2 4.11Å; A214-V217 HydrophobicContact CB-CG2 3.69Å; A214-V217 VanDerWaalsContact O-CG2 3.3Å; A214-V217 WeakPolarHBondContact O-CG2 3.34Å; A214-V217 PolarHBondContact O-N 3.33Å; V217-R233 HydrophobicContact CG1-CB 3.93Å; V217-R233 HydrophobicContact CG1-CG 4.21Å; V217-L235 HydrophobicContact CG2-CD2 3.72Å
218V88.9Confident83.6Confident1 Ų178.8 Ų78.81%0.00642%0.42CS..EExtended strand (participates in β ladder)trans-118.9141.1174.2-1790000109.7V220 R233 F234 K236 I281 T283V218-V220 HydrophobicContact CG1-CG2 4.4Å; V218-R233 CarbonylContact O-C 3.49Å; V218-R233 WeakPolarHBondContact O-CA 3.38Å; V218-F234 PolarHBondContact N-O 2.97Å; V218-F234 PolarHBondContact O-N 2.94Å; V218-K236 HydrophobicContact CG2-CD 4.27Å; V218-K236 HydrophobicContact CG2-CG 3.59Å; V218-I281 HydrophobicContact CB-CG2 4.35Å; V218-I281 HydrophobicContact CG1-CG2 3.5Å; V218-T283 WeakPolarHBondContact CG1-O 3.5Å
219R91.1Very high84.6Confident134 Ų13472.7 Ų72.751%0.50640%0.396SS..EExtended strand (participates in β ladder)trans-102.7119.1175.9-168178.172.4-160.63.7108.4R233 H284 T285R219-R233 HydrophobicContact CG-CG 4.48Å; R219-H284 HydrophobicContact CB-CB 4.36Å; R219-H284 WeakPolarHBondContact CB-ND1 3.22Å; R219-H284 PolarHBondContact N-ND1 2.95Å; R219-H284 CarbonylContact O-C 3.14Å; R219-H284 VanDerWaalsContact O-CA 3.28Å; R219-H284 WeakPolarHBondContact O-CA 3.44Å; R219-T285 PolarHBondContact O-N 3.02Å; R219-T285 VanDerWaalsContact O-N 3.08Å
220V92.4Very high85.1Confident0 Ų071 Ų710%039%0.388CS..EExtended strand (participates in β ladder)trans-104.9130.3177.1-177.20000108.7V218 H231 R232 F234 L243 W246 I281 T285 L287V218-V220 HydrophobicContact CG1-CG2 4.4Å; V220-H231 WeakPolarHBondContact O-CA 3.37Å; V220-R232 PolarHBondContact N-O 3.48Å; V220-R232 PolarHBondContact O-N 2.87Å; V220-F234 HydrophobicContact CB-CD2 3.98Å; V220-F234 HydrophobicContact CB-CE2 4.01Å; V220-F234 HydrophobicContact CG2-CD2 3.73Å; V220-F234 HydrophobicContact CG2-CE2 4.22Å; V220-L243 HydrophobicContact CG1-CD2 4.33Å; V220-W246 HydrophobicContact CB-CZ3 4.15Å; V220-W246 HydrophobicContact CG1-CZ3 3.89Å; V220-I281 HydrophobicContact CG2-CG2 3.86Å; V220-T285 WeakPolarHBondContact CA-O 3.45Å; V220-L287 HydrophobicContact CG1-CD1 3.56Å; V220-L287 HydrophobicContact CG1-CG 3.96Å
221A93.6Very high85.7Confident8 Ų875.4 Ų75.47%0.06641%0.407CS..EExtended strand (participates in β ladder)trans-109.5117.9173.800000109.4T229 I230 H231 T285 V286 L287A221-T229 HydrophobicContact CB-CG2 4.13Å; A221-I230 CarbonylContact C-O 3.58Å; A221-I230 WeakPolarHBondContact CA-O 2.93Å; A221-H231 VanDerWaalsContact CB-CE1 3.47Å; A221-H231 WeakPolarHBondContact CB-CE1 3.43Å; A221-H231 WeakPolarHBondContact CB-ND1 3.37Å; A221-T285 PolarHBondContact N-O 2.97Å; A221-V286 HydrophobicContact CB-CB 4.48Å; A221-V286 HydrophobicContact CB-CG1 4.34Å; A221-V286 HydrophobicContact CB-CG2 4.14Å; A221-V286 WeakPolarHBondContact O-CA 3.49Å; A221-L287 PolarHBondContact O-N 3.43Å
222L93.4Very high86.6Confident0 Ų073 Ų730%038%0.384CS..EExtended strand (participates in β ladder)trans-93.2122.3171.7-70.5170.7000109.9T229 I230 W246 L259 L287 V289L222-T229 CarbonylContact O-C 3.51Å; L222-T229 VanDerWaalsContact O-CA 3.25Å; L222-T229 WeakPolarHBondContact O-CA 3.39Å; L222-T229 WeakPolarHBondContact O-CG2 3.38Å; L222-I230 HydrophobicContact CB-CD1 4.12Å; L222-I230 HydrophobicContact CB-CG1 3.65Å; L222-I230 HydrophobicContact CD1-CD1 3.94Å; L222-I230 HydrophobicContact CD1-CG1 4.29Å; L222-I230 HydrophobicContact CG-CG1 4.49Å; L222-I230 PolarHBondContact N-O 2.9Å; L222-I230 PolarHBondContact O-N 3.4Å; L222-W246 HydrophobicContact CB-CH2 4.11Å; L222-W246 HydrophobicContact CB-CZ3 4.34Å; L222-W246 HydrophobicContact CD1-CD2 3.65Å; L222-W246 HydrophobicContact CD1-CE3 3.27Å; L222-W246 HydrophobicContact CD1-CH2 3.56Å; L222-W246 HydrophobicContact CD1-CZ2 3.92Å; L222-W246 HydrophobicContact CD1-CZ3 3.24Å; L222-W246 HydrophobicContact CD2-CZ3 4.34Å; L222-W246 HydrophobicContact CG-CE3 3.89Å; L222-W246 HydrophobicContact CG-CH2 3.57Å; L222-W246 HydrophobicContact CG-CZ2 4.35Å; L222-W246 HydrophobicContact CG-CZ3 3.32Å; L222-L259 HydrophobicContact CD2-CD1 4.31Å; L222-L259 HydrophobicContact CD2-CD2 3.36Å; L222-L259 HydrophobicContact CD2-CG 4.45Å; L222-L287 CarbonylContact C-O 3.49Å; L222-L287 WeakPolarHBondContact CA-O 3.28Å; L222-L287 HydrophobicContact CD2-CB 3.84Å; L222-L287 HydrophobicContact CD2-CD1 4.41Å; L222-V289 HydrophobicContact CB-CG2 4.3Å; L222-V289 HydrophobicContact CD2-CG2 3.89Å
223R93.3Very high87.6Confident124 Ų12469.6 Ų69.647%0.46836%0.364SS..EExtended strand (participates in β ladder)trans-89.6111.1168.1-69.1-178.2173.41752.8108.8T229 V286 L287 N288 V289R223-T229 HydrophobicContact CG-CG2 4.24Å; R223-V286 HydrophobicContact CG-CG1 3.91Å; R223-L287 PolarHBondContact N-O 3.43Å; R223-N288 VanDerWaalsContact CD-OD1 3.31Å; R223-N288 WeakPolarHBondContact CD-OD1 3.46Å; R223-V289 PolarHBondContact O-N 2.63Å
224C91.1Very high88.5Confident12 Ų1262 Ų628%0.08132%0.324CS..  trans-87.3148.7-179.2-58.10000110.7S226 G227 R228 Y252C224-S226 WeakPolarHBondContact CB-OG 3.07Å; C224-S226 PolarHBondContact O-N 3.3Å; C224-G227 PolarHBondContact O-N 3.44Å; C224-R228 VanDerWaalsContact CB-O 3.32Å; C224-R228 WeakPolarHBondContact CB-O 3.2Å; C224-R228 PolarHBondContact N-O 2.84Å; C224-Y252 HydrophobicContact CB-CE2 3.74Å; C224-Y252 WeakPolarHBondContact CB-OH 3.2Å
225P89.3Confident89.2Confident76 Ų7662.4 Ų62.449%0.49432%0.32SS..THydrogen-bonded Turntrans-57.5-21.8173.9-2532.3000113.6G227 Y252 Y257 V289P225-G227 PolarHBondContact O-N 2.81Å; P225-Y252 HydrophobicContact CG-CE1 4.29Å; P225-Y257 HydrophobicContact CG-CD1 4.47Å; P225-Y257 HydrophobicContact CG-CE1 4.01Å; P225-V289 HydrophobicContact CG-CG1 4.44Å; P225-V289 WeakPolarHBondContact CG-O 3.47Å
226S83.6Confident89.9Confident70 Ų7057.1 Ų57.149%0.4929%0.294SS..THydrogen-bonded Turntrans-69.7-1.5174.357.70000114.1C224 R228 Y252C224-S226 WeakPolarHBondContact CB-OG 3.07Å; C224-S226 PolarHBondContact O-N 3.3Å; S226-R228 PolarHBondContact O-N 3.34Å; S226-Y252 WeakPolarHBondContact CB-OH 3.36Å; S226-Y252 PolarHBondContact OG-OH 3.37Å
227G85.4Confident90.2Very high69 Ų6960.4 Ų60.471%0.71131%0.312SS*.SBendtrans81.1-3.4-176.200000114C224 P225C224-G227 PolarHBondContact O-N 3.44Å; P225-G227 PolarHBondContact O-N 2.81Å
228R89.1Confident90.2Very high188 Ų18861.1 Ų61.171%0.70932%0.315SS*.  trans-82.9142.1175.4-62.1-177.2-176.3-178.41.2110.2C224 S226C224-R228 VanDerWaalsContact CB-O 3.32Å; C224-R228 WeakPolarHBondContact CB-O 3.2Å; C224-R228 PolarHBondContact N-O 2.84Å; S226-R228 PolarHBondContact O-N 3.34Å
229T91.9Very high90.3Very high64 Ų6462.6 Ų62.639%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-113.1125.5169.2-55.20000108.7A221 L222 R223A221-T229 HydrophobicContact CB-CG2 4.13Å; L222-T229 CarbonylContact O-C 3.51Å; L222-T229 VanDerWaalsContact O-CA 3.25Å; L222-T229 WeakPolarHBondContact O-CA 3.39Å; L222-T229 WeakPolarHBondContact O-CG2 3.38Å; R223-T229 HydrophobicContact CG-CG2 4.24Å
230I91.4Very high90.3Very high49 Ų4956.2 Ų56.225%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-111.2140.7177.456.6177.2000109.1A221 L222 W246 T250A221-I230 CarbonylContact C-O 3.58Å; A221-I230 WeakPolarHBondContact CA-O 2.93Å; L222-I230 HydrophobicContact CB-CD1 4.12Å; L222-I230 HydrophobicContact CB-CG1 3.65Å; L222-I230 HydrophobicContact CD1-CD1 3.94Å; L222-I230 HydrophobicContact CD1-CG1 4.29Å; L222-I230 HydrophobicContact CG-CG1 4.49Å; L222-I230 PolarHBondContact N-O 2.9Å; L222-I230 PolarHBondContact O-N 3.4Å; I230-W246 HydrophobicContact CB-CZ2 4.21Å; I230-W246 HydrophobicContact CD1-CZ2 3.77Å; I230-W246 HydrophobicContact CG1-CH2 4.2Å; I230-W246 HydrophobicContact CG1-CZ2 3.7Å; I230-T250 HydrophobicContact CD1-CG2 3.13Å
231H91.9Very high90.2Very high113 Ų11357.3 Ų57.352%0.52331%0.309SS..EExtended strand (participates in β ladder)trans-118.4139.9-176.6-60-75.3000109.5V220 A221V220-H231 WeakPolarHBondContact O-CA 3.37Å; A221-H231 VanDerWaalsContact CB-CE1 3.47Å; A221-H231 WeakPolarHBondContact CB-CE1 3.43Å; A221-H231 WeakPolarHBondContact CB-ND1 3.37Å
232R91.1Very high90.1Very high17 Ų1757.8 Ų57.86%0.06431%0.311CS..EExtended strand (participates in β ladder)trans-151.1147.3174.8-176.8165.9162.61203.9110.8P207 E209 V220 F234 W246P207-R232 PolarHBondContact O-NH2 3.4Å; E209-R232 HydrophobicContact CG-CG 4.15Å; E209-R232 WeakPolarHBondContact OE1-CG 3.18Å; E209-R232 IonicContact OE1-CZ 3.85Å; E209-R232 IonicContact OE1-NE 3Å; E209-R232 IonicContact OE1-NH1 2.91Å; E209-R232 PolarHBondContact OE1-NH1 2.7Å; V220-R232 PolarHBondContact N-O 3.48Å; V220-R232 PolarHBondContact O-N 2.87Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; R232-F234 VanDerWaalsContact CD-CZ 3.46Å; R232-F234 HydrophobicContact CG-CD2 4.42Å; R232-F234 HydrophobicContact CG-CE1 4.21Å; R232-F234 HydrophobicContact CG-CE2 3.71Å; R232-F234 HydrophobicContact CG-CZ 3.6Å; R232-W246 HydrophobicContact CB-CD2 4.25Å; R232-W246 HydrophobicContact CB-CE3 4.45Å; R232-W246 HydrophobicContact CB-CH2 3.62Å; R232-W246 HydrophobicContact CB-CZ2 3.34Å; R232-W246 HydrophobicContact CB-CZ3 4.14Å; R232-W246 HydrophobicContact CG-CZ2 4.46Å
233R91.4Very high89.9Confident78 Ų7857.8 Ų57.829%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-94.8144.2177.1-63.8-178.1-66-123.3-7.8110.4P210 E212 V217 V218 R219P210-R233 WeakPolarHBondContact CD-O 3.4Å; P210-R233 HydrophobicContact CG-CB 3.94Å; P210-R233 PolarHBondContact O-NE 3Å; E212-R233 IonicContact OE2-NH1 3.02Å; V217-R233 HydrophobicContact CG1-CB 3.93Å; V217-R233 HydrophobicContact CG1-CG 4.21Å; V218-R233 CarbonylContact O-C 3.49Å; V218-R233 WeakPolarHBondContact O-CA 3.38Å; R219-R233 HydrophobicContact CG-CG 4.48Å
234F90.6Very high89.8Confident2 Ų254.4 Ų54.41%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-141.6155.3178.4-62-80.6000109.4V218 V220 R232 V242 L243 W246 M276V218-F234 PolarHBondContact N-O 2.97Å; V218-F234 PolarHBondContact O-N 2.94Å; V220-F234 HydrophobicContact CB-CD2 3.98Å; V220-F234 HydrophobicContact CB-CE2 4.01Å; V220-F234 HydrophobicContact CG2-CD2 3.73Å; V220-F234 HydrophobicContact CG2-CE2 4.22Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; R232-F234 VanDerWaalsContact CD-CZ 3.46Å; R232-F234 HydrophobicContact CG-CD2 4.42Å; R232-F234 HydrophobicContact CG-CE1 4.21Å; R232-F234 HydrophobicContact CG-CE2 3.71Å; R232-F234 HydrophobicContact CG-CZ 3.6Å; F234-V242 HydrophobicContact CD1-CG1 4.25Å; F234-V242 HydrophobicContact CE1-CG1 3.77Å; F234-L243 HydrophobicContact CD2-CD2 4.29Å; F234-L243 HydrophobicContact CE2-CD2 3.82Å; F234-L243 HydrophobicContact CZ-CD2 3.97Å; F234-W246 HydrophobicContact CE2-CD2 4.34Å; F234-W246 AromaticContact CE2-CE3 3.68Å; F234-W246 HydrophobicContact CE2-CE3 3.68Å; F234-W246 AromaticContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CZ-CB 4.43Å; F234-W246 AromaticContact CZ-CD2 3.89Å; F234-W246 HydrophobicContact CZ-CD2 3.89Å; F234-W246 AromaticContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CG 4.25Å; F234-W246 HydrophobicContact CZ-CZ3 4.14Å; F234-M276 HydrophobicContact CB-CG 4.25Å; F234-M276 HydrophobicContact CB-SD 4.26Å
235L90.1Very high89.8Confident52 Ų5256.9 Ų56.927%0.27231%0.314SS..EExtended strand (participates in β ladder)trans-86.2148.9171.6-63.3163.3000110P210 V217 S237 D238 M276P210-L235 HydrophobicContact CB-CD2 4.03Å; P210-L235 HydrophobicContact CB-CG 4.09Å; P210-L235 HydrophobicContact CG-CD2 4.43Å; P210-L235 HydrophobicContact CG-CG 4.21Å; V217-L235 HydrophobicContact CG2-CD2 3.72Å; L235-S237 PolarHBondContact O-N 3.38Å; L235-D238 WeakPolarHBondContact CB-OD2 3.21Å; L235-D238 PolarHBondContact N-OD2 2.81Å; L235-D238 WeakPolarHBondContact O-CB 3.25Å; L235-D238 PolarHBondContact O-N 3.18Å; L235-M276 VanDerWaalsContact O-CG 3.25Å; L235-M276 WeakPolarHBondContact O-CG 3.45Å
236K90.1Very high89.9Confident89 Ų8953.9 Ų53.939%0.38729%0.293SS..THydrogen-bonded Turntrans-59-29.9174.6-74.6173.8-173.7-169.40113.4G216 V218 D238 M276 G277 L282G216-K236 VanDerWaalsContact O-CG 3.31Å; G216-K236 WeakPolarHBondContact O-CG 3.41Å; G216-K236 PolarHBondContact O-N 2.91Å; V218-K236 HydrophobicContact CG2-CD 4.27Å; V218-K236 HydrophobicContact CG2-CG 3.59Å; K236-D238 VanDerWaalsContact C-N 3.33Å; K236-M276 PolarHBondContact O-N 3.37Å; K236-G277 PolarHBondContact O-N 2.86Å; K236-L282 WeakPolarHBondContact CE-O 3.48Å; K236-L282 PolarHBondContact NZ-O 2.97Å; K236-L282 VanDerWaalsContact NZ-O 3.08Å
237S88.1Confident90.2Very high97 Ų9750.6 Ų50.668%0.67827%0.27SS*.THydrogen-bonded Turntrans-79.3-12.6177.653.60000113.8L235L235-S237 PolarHBondContact O-N 3.38Å
238D87.4Confident90.4Very high40 Ų4049.9 Ų49.921%0.21425%0.25CS..SBendtrans-69.7151.2-178.2-69.6-19.9000111L235 K236 S275 M276L235-D238 WeakPolarHBondContact CB-OD2 3.21Å; L235-D238 PolarHBondContact N-OD2 2.81Å; L235-D238 WeakPolarHBondContact O-CB 3.25Å; L235-D238 PolarHBondContact O-N 3.18Å; K236-D238 VanDerWaalsContact C-N 3.33Å; D238-S275 CarbonylContact O-C 3.54Å; D238-S275 WeakPolarHBondContact O-CA 3.36Å; D238-M276 HydrophobicContact CB-CG 4.27Å; D238-M276 PolarHBondContact O-N 2.9Å
239S90.9Very high90.3Very high33 Ų3347.3 Ų47.323%0.23124%0.244CC..BIsolated β-bridgetrans-69.2140.1177.5-1780000111.8S241 V242 K272S239-S241 PolarHBondContact O-N 3.27Å; S239-S241 PolarHBondContact OG-N 2.88Å; S239-S241 PolarHBondContact OG-OG 2.95Å; S239-V242 WeakPolarHBondContact O-CB 3.3Å; S239-V242 WeakPolarHBondContact O-CG2 3.24Å; S239-V242 PolarHBondContact O-N 2.72Å; S239-K272 WeakPolarHBondContact OG-CA 3.47Å; S239-K272 PolarHBondContact OG-O 2.75Å
240S90.8Very high90.1Very high0 Ų046.5 Ų46.50%024%0.239CC..THydrogen-bonded Turntrans-64.2-19.9175.666.10000115.5V242 L243 I270 G271 I274S240-V242 PolarHBondContact O-N 3.37Å; S240-L243 WeakPolarHBondContact O-CB 3.27Å; S240-L243 PolarHBondContact O-N 3.15Å; S240-L243 VanDerWaalsContact O-N 3.13Å; S240-I270 VanDerWaalsContact C-CG2 3.45Å; S240-I270 WeakPolarHBondContact O-CG2 3.18Å; S240-G271 PolarHBondContact OG-N 3.06Å; S240-G271 PolarHBondContact OG-O 3.01Å; S240-I274 WeakPolarHBondContact CB-O 3.45Å; S240-I274 PolarHBondContact N-O 3.25Å; S240-I274 PolarHBondContact OG-O 3.29Å
241S90.3Very high89.9Confident22 Ų2247.3 Ų47.315%0.15426%0.259CS..Hα-helixtrans-60.3-28.3173.6670000113.4S239 L243 L244 D245S239-S241 PolarHBondContact O-N 3.27Å; S239-S241 PolarHBondContact OG-N 2.88Å; S239-S241 PolarHBondContact OG-OG 2.95Å; S241-L243 PolarHBondContact O-N 3.16Å; S241-L243 VanDerWaalsContact O-N 3.15Å; S241-L244 WeakPolarHBondContact O-CB 3.29Å; S241-L244 PolarHBondContact O-N 2.98Å; S241-D245 PolarHBondContact O-N 3.38Å
242V90.4Very high89.8Confident19 Ų1943.5 Ų43.512%0.11524%0.241CC..Hα-helixtrans-61.8-24.7179.9-175.60000111.5P207 F234 S239 S240 D245 W246P207-V242 HydrophobicContact CG-CG1 3.73Å; F234-V242 HydrophobicContact CD1-CG1 4.25Å; F234-V242 HydrophobicContact CE1-CG1 3.77Å; S239-V242 WeakPolarHBondContact O-CB 3.3Å; S239-V242 WeakPolarHBondContact O-CG2 3.24Å; S239-V242 PolarHBondContact O-N 2.72Å; S240-V242 PolarHBondContact O-N 3.37Å; V242-D245 PolarHBondContact O-N 2.93Å; V242-W246 WeakPolarHBondContact O-CB 3.5Å; V242-W246 PolarHBondContact O-N 3.45Å
243L90.5Very high89.7Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-69.1-34.6173.7-66.8175.3000112.6V220 F234 S240 S241 W246 L247 L259 M276 I281 L287V220-L243 HydrophobicContact CG1-CD2 4.33Å; F234-L243 HydrophobicContact CD2-CD2 4.29Å; F234-L243 HydrophobicContact CE2-CD2 3.82Å; F234-L243 HydrophobicContact CZ-CD2 3.97Å; S240-L243 WeakPolarHBondContact O-CB 3.27Å; S240-L243 PolarHBondContact O-N 3.15Å; S240-L243 VanDerWaalsContact O-N 3.13Å; S241-L243 PolarHBondContact O-N 3.16Å; S241-L243 VanDerWaalsContact O-N 3.15Å; L243-W246 HydrophobicContact CD2-CE3 4.02Å; L243-W246 HydrophobicContact CD2-CZ3 4.43Å; L243-W246 PolarHBondContact O-N 3.46Å; L243-L247 WeakPolarHBondContact O-CB 3.47Å; L243-L247 PolarHBondContact O-N 2.92Å; L243-L259 HydrophobicContact CB-CD1 3.76Å; L243-L259 HydrophobicContact CD1-CD1 4.36Å; L243-M276 HydrophobicContact CD1-CE 3.61Å; L243-M276 HydrophobicContact CD1-SD 4.02Å; L243-M276 HydrophobicContact CD2-CE 4.38Å; L243-M276 HydrophobicContact CD2-SD 4.33Å; L243-M276 HydrophobicContact CG-CE 3.62Å; L243-M276 HydrophobicContact CG-SD 4.15Å; L243-I281 HydrophobicContact CD1-CD1 3.55Å; L243-L287 HydrophobicContact CD1-CD1 4.28Å
244L90.4Very high89.5Confident53 Ų5345.9 Ų45.928%0.27726%0.259SS..Hα-helixtrans-71.3-39.6175.6-59.5176.1000110.7S241 W246 L247 L248 P254 I270S241-L244 WeakPolarHBondContact O-CB 3.29Å; S241-L244 PolarHBondContact O-N 2.98Å; L244-W246 VanDerWaalsContact C-N 3.31Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.4Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.45Å; L244-P254 HydrophobicContact CD2-CB 3.98Å; L244-I270 HydrophobicContact CD1-CB 4.37Å; L244-I270 HydrophobicContact CD1-CG2 3.67Å; L244-I270 HydrophobicContact CD2-CD1 3.63Å; L244-I270 HydrophobicContact CD2-CG2 4.33Å; L244-I270 HydrophobicContact CG-CB 4.48Å; L244-I270 HydrophobicContact CG-CD1 4.19Å; L244-I270 HydrophobicContact CG-CG2 3.74Å
245D90.8Very high89.3Confident63 Ų6349 Ų4934%0.33729%0.285SS..Hα-helixtrans-61-42.8173.4-72.9-21.8000110.8V204 L206 S241 V242 L248 K249V204-D245 HydrophobicContact CG1-CB 3.36Å; L206-D245 HydrophobicContact CD1-CB 4.3Å; S241-D245 PolarHBondContact O-N 3.38Å; V242-D245 PolarHBondContact O-N 2.93Å; D245-L248 PolarHBondContact O-N 2.96Å; D245-K249 PolarHBondContact O-N 2.92Å
246W90.8Very high89.2Confident14 Ų1450.4 Ų50.45%0.05330%0.296CS..Hα-helixtrans-63.1-45173.5-171.631.5000112.7L206 V220 L222 I230 R232 F234 V242 L243 L244 L248 K249 T250L206-W246 HydrophobicContact CD2-CB 3.59Å; L206-W246 HydrophobicContact CD2-CG 3.82Å; V220-W246 HydrophobicContact CB-CZ3 4.15Å; V220-W246 HydrophobicContact CG1-CZ3 3.89Å; L222-W246 HydrophobicContact CB-CH2 4.11Å; L222-W246 HydrophobicContact CB-CZ3 4.34Å; L222-W246 HydrophobicContact CD1-CD2 3.65Å; L222-W246 HydrophobicContact CD1-CE3 3.27Å; L222-W246 HydrophobicContact CD1-CH2 3.56Å; L222-W246 HydrophobicContact CD1-CZ2 3.92Å; L222-W246 HydrophobicContact CD1-CZ3 3.24Å; L222-W246 HydrophobicContact CD2-CZ3 4.34Å; L222-W246 HydrophobicContact CG-CE3 3.89Å; L222-W246 HydrophobicContact CG-CH2 3.57Å; L222-W246 HydrophobicContact CG-CZ2 4.35Å; L222-W246 HydrophobicContact CG-CZ3 3.32Å; I230-W246 HydrophobicContact CB-CZ2 4.21Å; I230-W246 HydrophobicContact CD1-CZ2 3.77Å; I230-W246 HydrophobicContact CG1-CH2 4.2Å; I230-W246 HydrophobicContact CG1-CZ2 3.7Å; R232-W246 HydrophobicContact CB-CD2 4.25Å; R232-W246 HydrophobicContact CB-CE3 4.45Å; R232-W246 HydrophobicContact CB-CH2 3.62Å; R232-W246 HydrophobicContact CB-CZ2 3.34Å; R232-W246 HydrophobicContact CB-CZ3 4.14Å; R232-W246 HydrophobicContact CG-CZ2 4.46Å; F234-W246 HydrophobicContact CE2-CD2 4.34Å; F234-W246 AromaticContact CE2-CE3 3.68Å; F234-W246 HydrophobicContact CE2-CE3 3.68Å; F234-W246 AromaticContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CE2-CZ3 3.76Å; F234-W246 HydrophobicContact CZ-CB 4.43Å; F234-W246 AromaticContact CZ-CD2 3.89Å; F234-W246 HydrophobicContact CZ-CD2 3.89Å; F234-W246 AromaticContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CE3 3.57Å; F234-W246 HydrophobicContact CZ-CG 4.25Å; F234-W246 HydrophobicContact CZ-CZ3 4.14Å; V242-W246 WeakPolarHBondContact O-CB 3.5Å; V242-W246 PolarHBondContact O-N 3.45Å; L243-W246 HydrophobicContact CD2-CE3 4.02Å; L243-W246 HydrophobicContact CD2-CZ3 4.43Å; L243-W246 PolarHBondContact O-N 3.46Å; L244-W246 VanDerWaalsContact C-N 3.31Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 2.98Å; W246-K249 PolarHBondContact O-N 3.48Å; W246-T250 WeakPolarHBondContact O-CG2 3.3Å; W246-T250 PolarHBondContact O-N 2.96Å; W246-T250 PolarHBondContact O-OG1 3.48Å
247L89.9Confident89.2Confident0 Ų049.6 Ų49.60%029%0.291CS..Hα-helixtrans-57.1-45.9175.6-169.264.5000110.6L243 L244 K249 T250 G251 Y252 L259 V289L243-L247 WeakPolarHBondContact O-CB 3.47Å; L243-L247 PolarHBondContact O-N 2.92Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 3.4Å; L247-K249 PolarHBondContact O-N 3.33Å; L247-T250 WeakPolarHBondContact CA-OG1 3.48Å; L247-T250 PolarHBondContact O-N 3.35Å; L247-T250 VanDerWaalsContact O-N 3.13Å; L247-T250 PolarHBondContact O-OG1 3.4Å; L247-G251 PolarHBondContact O-N 3.34Å; L247-Y252 CarbonylContact C-O 3.56Å; L247-Y252 HydrophobicContact CD1-CD2 4.33Å; L247-Y252 HydrophobicContact CD1-CG 4.22Å; L247-Y252 WeakPolarHBondContact CG-O 3.23Å; L247-Y252 PolarHBondContact O-N 3.08Å; L247-Y252 VanDerWaalsContact O-O 3.05Å; L247-L259 HydrophobicContact CD1-CD2 3.97Å; L247-L259 HydrophobicContact CD2-CD2 4.16Å; L247-L259 HydrophobicContact CD2-CG 4.34Å; L247-V289 HydrophobicContact CD1-CB 4.41Å; L247-V289 HydrophobicContact CD1-CG1 3.86Å; L247-V289 HydrophobicContact CD1-CG2 3.62Å
248L89.6Confident89.4Confident55 Ų5546.7 Ų46.729%0.28827%0.269SS..Hα-helixtrans-63.2-43.5177.9-173.757.3000112.1V204 L244 D245 W246 T250 G251 Y252V204-L248 HydrophobicContact CG2-CD2 3.69Å; V204-L248 HydrophobicContact CG2-CG 4.17Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.45Å; D245-L248 PolarHBondContact O-N 2.96Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 2.98Å; L248-T250 PolarHBondContact O-N 3.23Å; L248-G251 PolarHBondContact O-N 2.89Å; L248-Y252 WeakPolarHBondContact CA-O 3.32Å; L248-Y252 PolarHBondContact N-O 2.92Å
249K88.5Confident89.7Confident134 Ų13444.9 Ų44.958%0.58326%0.259SS*.Hα-helixtrans-61.8-29.5175.2-176.1170.1-177.6174.20112.7L206 D245 W246 L247 G251L206-K249 HydrophobicContact CD1-CB 3.76Å; L206-K249 HydrophobicContact CD1-CD 3.51Å; L206-K249 HydrophobicContact CD1-CG 4.26Å; L206-K249 HydrophobicContact CD2-CD 4.47Å; L206-K249 HydrophobicContact CG-CD 4.37Å; D245-K249 PolarHBondContact O-N 2.92Å; W246-K249 PolarHBondContact O-N 3.48Å; L247-K249 PolarHBondContact O-N 3.33Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 2.93Å
250T86.7Confident89.7Confident46 Ų4643.6 Ų43.628%0.28225%0.251SS..THydrogen-bonded Turntrans-83-3.4178.565.30000113.3I230 W246 L247 L248I230-T250 HydrophobicContact CD1-CG2 3.13Å; W246-T250 WeakPolarHBondContact O-CG2 3.3Å; W246-T250 PolarHBondContact O-N 2.96Å; W246-T250 PolarHBondContact O-OG1 3.48Å; L247-T250 WeakPolarHBondContact CA-OG1 3.48Å; L247-T250 PolarHBondContact O-N 3.35Å; L247-T250 VanDerWaalsContact O-N 3.13Å; L247-T250 PolarHBondContact O-OG1 3.4Å; L248-T250 PolarHBondContact O-N 3.23Å
251G87.4Confident89.8Confident66 Ų6645.1 Ų45.168%0.6826%0.26SS*.THydrogen-bonded Turntrans96.76.9176.800000114.5L247 L248 K249L247-G251 PolarHBondContact O-N 3.34Å; L248-G251 PolarHBondContact O-N 2.89Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 2.93Å
252Y89.1Confident89.7Confident34 Ų3446.7 Ų46.713%0.13327%0.268CS..  trans-104.7119.4178.2-64.5-77000109.6C224 P225 S226 L247 L248 Y257 V289C224-Y252 HydrophobicContact CB-CE2 3.74Å; C224-Y252 WeakPolarHBondContact CB-OH 3.2Å; P225-Y252 HydrophobicContact CG-CE1 4.29Å; S226-Y252 WeakPolarHBondContact CB-OH 3.36Å; S226-Y252 PolarHBondContact OG-OH 3.37Å; L247-Y252 CarbonylContact C-O 3.56Å; L247-Y252 HydrophobicContact CD1-CD2 4.33Å; L247-Y252 HydrophobicContact CD1-CG 4.22Å; L247-Y252 WeakPolarHBondContact CG-O 3.23Å; L247-Y252 PolarHBondContact O-N 3.08Å; L247-Y252 VanDerWaalsContact O-O 3.05Å; L248-Y252 WeakPolarHBondContact CA-O 3.32Å; L248-Y252 PolarHBondContact N-O 2.92Å; Y252-Y257 HydrophobicContact CD1-CD1 4.29Å; Y252-Y257 AromaticContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CE1 4.16Å; Y252-Y257 AromaticContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CG 4.15Å; Y252-Y257 AromaticContact CD1-CZ 3.89Å; Y252-Y257 HydrophobicContact CG-CD2 4.46Å; Y252-V289 HydrophobicContact CD1-CG1 4.18Å; Y252-V289 HydrophobicContact CG-CG1 4.14Å
253H89.3Confident89.5Confident103 Ų10356.1 Ų56.148%0.47730%0.304SS..  trans-85.9131.1-177.4-166.8-83.8000111.2A255 V256 Y257H253-A255 WeakPolarHBondContact ND1-CB 3.38Å; H253-A255 PolarHBondContact ND1-N 3.37Å; H253-A255 VanDerWaalsContact ND1-N 3.13Å; H253-A255 PolarHBondContact O-N 3.41Å; H253-A255 VanDerWaalsContact O-N 3.11Å; H253-V256 PolarHBondContact O-N 2.96Å; H253-Y257 PolarHBondContact O-N 3.48Å
254P87.1Confident89.5Confident41 Ų4159.7 Ų59.727%0.26633%0.327SS..THydrogen-bonded Turntrans-66.1-15.7-175.526.8-36.5000114.7L244 V256 Y257L244-P254 HydrophobicContact CD2-CB 3.98Å; P254-V256 VanDerWaalsContact C-N 3.3Å; P254-Y257 CarbonylContact C-O 3.56Å; P254-Y257 WeakPolarHBondContact CA-O 3.41Å; P254-Y257 VanDerWaalsContact O-O 3.1Å
255A86.1Confident89.4Confident68 Ų6865.7 Ų65.756%0.56235%0.346SS*.THydrogen-bonded Turntrans-70.9-2617100000113.2H253H253-A255 WeakPolarHBondContact ND1-CB 3.38Å; H253-A255 PolarHBondContact ND1-N 3.37Å; H253-A255 VanDerWaalsContact ND1-N 3.13Å; H253-A255 PolarHBondContact O-N 3.41Å; H253-A255 VanDerWaalsContact O-N 3.11Å
256V88.6Confident89.3Confident82 Ų8268.4 Ų68.450%0.49736%0.356SS..THydrogen-bonded Turntrans-109-25.2-176.2-177.30000111.4H253 P254 G291 K292H253-V256 PolarHBondContact O-N 2.96Å; P254-V256 VanDerWaalsContact C-N 3.3Å; V256-G291 CarbonylContact O-C 3.56Å; V256-G291 WeakPolarHBondContact O-CA 3.49Å; V256-K292 PolarHBondContact O-N 2.93Å
257Y90.7Very high89.3Confident71 Ų7172 Ų7228%0.27838%0.381SS..EExtended strand (participates in β ladder)trans-124.7143.8-177.7-64.8-83.2000111.6P225 Y252 H253 P254 V289 E290P225-Y257 HydrophobicContact CG-CD1 4.47Å; P225-Y257 HydrophobicContact CG-CE1 4.01Å; Y252-Y257 HydrophobicContact CD1-CD1 4.29Å; Y252-Y257 AromaticContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CD2 3.88Å; Y252-Y257 HydrophobicContact CD1-CE1 4.16Å; Y252-Y257 AromaticContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CE2 3.75Å; Y252-Y257 HydrophobicContact CD1-CG 4.15Å; Y252-Y257 AromaticContact CD1-CZ 3.89Å; Y252-Y257 HydrophobicContact CG-CD2 4.46Å; H253-Y257 PolarHBondContact O-N 3.48Å; P254-Y257 CarbonylContact C-O 3.56Å; P254-Y257 WeakPolarHBondContact CA-O 3.41Å; P254-Y257 VanDerWaalsContact O-O 3.1Å; Y257-V289 HydrophobicContact CD1-CG1 3.82Å; Y257-V289 HydrophobicContact CG-CG1 4.01Å; Y257-E290 CarbonylContact C-O 3.54Å; Y257-E290 WeakPolarHBondContact CA-O 3.3Å
258T91.7Very high89.2Confident37 Ų3772.9 Ų72.923%0.22739%0.386CS..EExtended strand (participates in β ladder)trans-120.1156.1174.1-169.40000110.5E290T258-E290 PolarHBondContact N-O 3.07Å; T258-E290 PolarHBondContact O-N 2.99Å
259L93.1Very high89Confident1 Ų175.5 Ų75.51%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-96.1122.3175.6-63.2-176.4000109.5L222 L243 L247 P267 L268 I270 L287 V289L222-L259 HydrophobicContact CD2-CD1 4.31Å; L222-L259 HydrophobicContact CD2-CD2 3.36Å; L222-L259 HydrophobicContact CD2-CG 4.45Å; L243-L259 HydrophobicContact CB-CD1 3.76Å; L243-L259 HydrophobicContact CD1-CD1 4.36Å; L247-L259 HydrophobicContact CD1-CD2 3.97Å; L247-L259 HydrophobicContact CD2-CD2 4.16Å; L247-L259 HydrophobicContact CD2-CG 4.34Å; L259-P267 WeakPolarHBondContact O-CA 3.25Å; L259-L268 HydrophobicContact CB-CD1 4.06Å; L259-L268 PolarHBondContact O-N 3.24Å; L259-I270 HydrophobicContact CB-CD1 4.28Å; L259-I270 HydrophobicContact CD1-CD1 3.97Å; L259-I270 HydrophobicContact CG-CD1 4.35Å; L259-L287 HydrophobicContact CD1-CD1 4.36Å; L259-V289 HydrophobicContact CD2-CG2 3.75Å
260C92Very high89Confident7 Ų771 Ų715%0.04739%0.386CS..EExtended strand (participates in β ladder)trans-113.9142.6179.6-65.80000111.1Q266 L287 N288 E290C260-Q266 CarbonylContact C-O 3.59Å; C260-Q266 VanDerWaalsContact CA-O 3.26Å; C260-Q266 WeakPolarHBondContact CA-O 3.44Å; C260-L287 CarbonylContact O-C 3.56Å; C260-L287 WeakPolarHBondContact O-CA 3.38Å; C260-N288 HydrophobicContact CB-CB 4.47Å; C260-N288 PolarHBondContact N-O 3.27Å; C260-N288 PolarHBondContact O-N 3.31Å; C260-E290 HydrophobicContact CB-CG 4.48Å; C260-E290 PolarHBondContact SG-OE2 3.44Å
261T92.5Very high88.8Confident32 Ų3269.8 Ų69.820%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-69.3158.3168.648.40000111.3P264 R265 Q266 L268 L287T261-P264 PolarHBondContact OG1-O 3.02Å; T261-R265 WeakPolarHBondContact O-CA 3.49Å; T261-Q266 PolarHBondContact N-O 3.41Å; T261-Q266 PolarHBondContact OG1-N 2.99Å; T261-Q266 VanDerWaalsContact OG1-N 3.08Å; T261-Q266 PolarHBondContact OG1-O 2.76Å; T261-L268 HydrophobicContact CG2-CD2 3.65Å; T261-L268 HydrophobicContact CG2-CG 4.21Å; T261-L287 HydrophobicContact CG2-CD2 4.29Å
262T89Confident88.6Confident54 Ų5474.7 Ų74.733%0.33139%0.385SS..SBendtrans-77-42.8-180-58.70000112.5R265 V286T262-R265 WeakPolarHBondContact O-CG 3.48Å; T262-V286 PolarHBondContact OG1-O 3.45Å
263Y86.2Confident88.5Confident218 Ų21880.8 Ų80.886%0.85542%0.42SS*.SBendtrans-157128.7178.7-170.7-95.5000111.7
264P89.1Confident88.5Confident75 Ų7578.2 Ų78.249%0.48741%0.41SS..SBendcis-58.6148.9-16.828.4-34.3000109.9T261 Q266T261-P264 PolarHBondContact OG1-O 3.02Å; P264-Q266 PolarHBondContact O-N 3.49Å; P264-Q266 VanDerWaalsContact O-N 3.13Å
265R88.8Confident88.7Confident179 Ų17977.7 Ų77.768%0.67541%0.407SS*.  trans-74.8103.8-180-72.6-168.4179.1-171.92.1109.9T261 T262T261-R265 WeakPolarHBondContact O-CA 3.49Å; T262-R265 WeakPolarHBondContact O-CG 3.48Å
266Q88.8Confident88.9Confident119 Ų11974.4 Ų74.456%0.55638%0.38SS*.  trans-138.5144.3-179.8-69.9-175.4-30.900110.4C260 T261 P264 L268C260-Q266 CarbonylContact C-O 3.59Å; C260-Q266 VanDerWaalsContact CA-O 3.26Å; C260-Q266 WeakPolarHBondContact CA-O 3.44Å; T261-Q266 PolarHBondContact N-O 3.41Å; T261-Q266 PolarHBondContact OG1-N 2.99Å; T261-Q266 VanDerWaalsContact OG1-N 3.08Å; T261-Q266 PolarHBondContact OG1-O 2.76Å; P264-Q266 PolarHBondContact O-N 3.49Å; P264-Q266 VanDerWaalsContact O-N 3.13Å; Q266-L268 PolarHBondContact O-N 3.26Å
267P90.1Very high88.7Confident89 Ų8971.1 Ų71.158%0.57836%0.363SS*.BIsolated β-bridgetrans-65.2134.2172.728.5-33.3000109.5L259L259-P267 WeakPolarHBondContact O-CA 3.25Å
268L88.6Confident88.6Confident20 Ų2073.8 Ų73.811%0.10538%0.381CS..  trans-69.3133.4176.1-75.8176.5000110.5L259 T261 Q266 I270 A279 I281 L287L259-L268 HydrophobicContact CB-CD1 4.06Å; L259-L268 PolarHBondContact O-N 3.24Å; T261-L268 HydrophobicContact CG2-CD2 3.65Å; T261-L268 HydrophobicContact CG2-CG 4.21Å; Q266-L268 PolarHBondContact O-N 3.26Å; L268-I270 HydrophobicContact CB-CD1 4.18Å; L268-I270 HydrophobicContact CB-CG1 3.98Å; L268-I270 PolarHBondContact O-N 2.99Å; L268-A279 VanDerWaalsContact CD2-O 3.26Å; L268-A279 WeakPolarHBondContact CD2-O 3.4Å; L268-I281 HydrophobicContact CD1-CD1 4.25Å; L268-L287 HydrophobicContact CD1-CD1 3.51Å; L268-L287 HydrophobicContact CD1-CD2 3.53Å; L268-L287 HydrophobicContact CD1-CG 4.13Å; L268-L287 HydrophobicContact CG-CD2 4.27Å
269V86.3Confident88.3Confident109 Ų10972.6 Ų72.666%0.66138%0.376SS*.  trans-77.5108.4168.9-174.40000107.4I274V269-I274 HydrophobicContact CG1-CD1 3.75Å
270I87.6Confident87.9Confident40 Ų4075 Ų7521%0.20540%0.401CS..  trans-112.5130.8-177-60.7163.4000109.1S240 L244 L259 L268S240-I270 VanDerWaalsContact C-CG2 3.45Å; S240-I270 WeakPolarHBondContact O-CG2 3.18Å; L244-I270 HydrophobicContact CD1-CB 4.37Å; L244-I270 HydrophobicContact CD1-CG2 3.67Å; L244-I270 HydrophobicContact CD2-CD1 3.63Å; L244-I270 HydrophobicContact CD2-CG2 4.33Å; L244-I270 HydrophobicContact CG-CB 4.48Å; L244-I270 HydrophobicContact CG-CD1 4.19Å; L244-I270 HydrophobicContact CG-CG2 3.74Å; L259-I270 HydrophobicContact CB-CD1 4.28Å; L259-I270 HydrophobicContact CD1-CD1 3.97Å; L259-I270 HydrophobicContact CG-CD1 4.35Å; L268-I270 HydrophobicContact CB-CD1 4.18Å; L268-I270 HydrophobicContact CB-CG1 3.98Å; L268-I270 PolarHBondContact O-N 2.99Å
271G83.5Confident87.7Confident21 Ų2174.7 Ų74.722%0.21640%0.399CS..  trans-154.4156.5179.900000111.4S240 D273 I274S240-G271 PolarHBondContact OG-N 3.06Å; S240-G271 PolarHBondContact OG-O 3.01Å; G271-D273 PolarHBondContact O-N 3.43Å; G271-I274 PolarHBondContact O-N 2.9Å
272K83.4Confident87.4Confident169 Ų16978.2 Ų78.274%0.73542%0.416SS*.THydrogen-bonded Turntrans-64-29.9175.2-70.1-175.6178.5-176.20111.9S239 I274S239-K272 WeakPolarHBondContact OG-CA 3.47Å; S239-K272 PolarHBondContact OG-O 2.75Å; K272-I274 VanDerWaalsContact C-N 3.35Å
273D86.4Confident87.4Confident162 Ų16280.3 Ų80.387%0.86643%0.429SS*.THydrogen-bonded Turntrans-89.4-1.1-175.6-46.6-41.9000113.1G271G271-D273 PolarHBondContact O-N 3.43Å
274I88.9Confident87.6Confident49 Ų4975.9 Ų75.925%0.25142%0.415SS..SBendtrans-110.6124.8-176.4-56.5174.2000108.5S240 V269 G271 K272 D278 A279S240-I274 WeakPolarHBondContact CB-O 3.45Å; S240-I274 PolarHBondContact N-O 3.25Å; S240-I274 PolarHBondContact OG-O 3.29Å; V269-I274 HydrophobicContact CG1-CD1 3.75Å; G271-I274 PolarHBondContact O-N 2.9Å; K272-I274 VanDerWaalsContact C-N 3.35Å; I274-D278 HydrophobicContact CG2-CB 3.79Å; I274-A279 HydrophobicContact CG2-CB 4.08Å
275S91.8Very high87.7Confident29 Ų2973.6 Ų73.620%0.20340%0.4CS..BIsolated β-bridgetrans-73.7163.1175.974.70000112.1D238 G277 D278 A279D238-S275 CarbonylContact O-C 3.54Å; D238-S275 WeakPolarHBondContact O-CA 3.36Å; S275-G277 PolarHBondContact O-N 2.95Å; S275-G277 PolarHBondContact OG-N 3.41Å; S275-D278 WeakPolarHBondContact CB-OD2 3.45Å; S275-D278 PolarHBondContact O-N 3.44Å; S275-D278 PolarHBondContact OG-N 3.39Å; S275-D278 VanDerWaalsContact OG-N 3.14Å; S275-D278 PolarHBondContact OG-OD2 2.67Å; S275-A279 WeakPolarHBondContact O-CB 3.5Å; S275-A279 PolarHBondContact O-N 3.03Å
276M89.1Confident87.9Confident0 Ų067.3 Ų67.30%038%0.382CS..THydrogen-bonded Turntrans-51.5-44.5170.7-78-67.5104.300111.8F234 L235 K236 D238 L243 A279 I281F234-M276 HydrophobicContact CB-CG 4.25Å; F234-M276 HydrophobicContact CB-SD 4.26Å; L235-M276 VanDerWaalsContact O-CG 3.25Å; L235-M276 WeakPolarHBondContact O-CG 3.45Å; K236-M276 PolarHBondContact O-N 3.37Å; D238-M276 HydrophobicContact CB-CG 4.27Å; D238-M276 PolarHBondContact O-N 2.9Å; L243-M276 HydrophobicContact CD1-CE 3.61Å; L243-M276 HydrophobicContact CD1-SD 4.02Å; L243-M276 HydrophobicContact CD2-CE 4.38Å; L243-M276 HydrophobicContact CD2-SD 4.33Å; L243-M276 HydrophobicContact CG-CE 3.62Å; L243-M276 HydrophobicContact CG-SD 4.15Å; M276-A279 PolarHBondContact O-N 2.93Å; M276-I281 WeakPolarHBondContact O-CA 3.25Å; M276-I281 VanDerWaalsContact O-CB 3.28Å; M276-I281 WeakPolarHBondContact O-CB 3.49Å; M276-I281 PolarHBondContact O-N 3.49Å; M276-I281 HydrophobicContact SD-CD1 3.91Å
277G86.3Confident88.2Confident13 Ų1361.7 Ų61.713%0.13436%0.355CS..THydrogen-bonded Turntrans-62.1-46.4179.500000112.4K236 S275 A279 G280K236-G277 PolarHBondContact O-N 2.86Å; S275-G277 PolarHBondContact O-N 2.95Å; S275-G277 PolarHBondContact OG-N 3.41Å; G277-A279 VanDerWaalsContact C-N 3.3Å; G277-A279 PolarHBondContact O-N 3.19Å; G277-G280 PolarHBondContact O-N 2.98Å
278D87.7Confident88.3Confident126 Ų12658.2 Ų58.267%0.67433%0.332SS*.THydrogen-bonded Turntrans-70.6-26.8-178.9-58.3-37.5000112.6I274 S275 G280I274-D278 HydrophobicContact CG2-CB 3.79Å; S275-D278 WeakPolarHBondContact CB-OD2 3.45Å; S275-D278 PolarHBondContact O-N 3.44Å; S275-D278 PolarHBondContact OG-N 3.39Å; S275-D278 VanDerWaalsContact OG-N 3.14Å; S275-D278 PolarHBondContact OG-OD2 2.67Å; D278-G280 PolarHBondContact O-N 2.89Å
279A86.1Confident88.5Confident13 Ų1357.6 Ų57.611%0.10733%0.329CS..THydrogen-bonded Turntrans-71.2-0.9170.800000113.1L268 I274 S275 M276 G277L268-A279 VanDerWaalsContact CD2-O 3.26Å; L268-A279 WeakPolarHBondContact CD2-O 3.4Å; I274-A279 HydrophobicContact CG2-CB 4.08Å; S275-A279 WeakPolarHBondContact O-CB 3.5Å; S275-A279 PolarHBondContact O-N 3.03Å; M276-A279 PolarHBondContact O-N 2.93Å; G277-A279 VanDerWaalsContact C-N 3.3Å; G277-A279 PolarHBondContact O-N 3.19Å
280G84.7Confident88.8Confident52 Ų5255.4 Ų55.454%0.53631%0.312SS..THydrogen-bonded Turntrans90.213.2-179.600000114.2G277 D278 L282G277-G280 PolarHBondContact O-N 2.98Å; D278-G280 PolarHBondContact O-N 2.89Å; G280-L282 PolarHBondContact O-N 3.31Å
281I87.5Confident88.8Confident0 Ų056 Ų560%033%0.328CS..  trans-100.270179.6-55.3169.6000109V218 V220 L243 L268 M276 L287V218-I281 HydrophobicContact CB-CG2 4.35Å; V218-I281 HydrophobicContact CG1-CG2 3.5Å; V220-I281 HydrophobicContact CG2-CG2 3.86Å; L243-I281 HydrophobicContact CD1-CD1 3.55Å; L268-I281 HydrophobicContact CD1-CD1 4.25Å; M276-I281 WeakPolarHBondContact O-CA 3.25Å; M276-I281 VanDerWaalsContact O-CB 3.28Å; M276-I281 WeakPolarHBondContact O-CB 3.49Å; M276-I281 PolarHBondContact O-N 3.49Å; M276-I281 HydrophobicContact SD-CD1 3.91Å; I281-L287 HydrophobicContact CD1-CD1 4.18Å
282L85.9Confident88.9Confident106 Ų10659.5 Ų59.556%0.55534%0.337SS*.  trans-86-30.2-178.3-64.7170.3000113.4K236 G280K236-L282 WeakPolarHBondContact CE-O 3.48Å; K236-L282 PolarHBondContact NZ-O 2.97Å; K236-L282 VanDerWaalsContact NZ-O 3.08Å; G280-L282 PolarHBondContact O-N 3.31Å
283T88.7Confident88.6Confident98 Ų9856.9 Ų56.960%0.60133%0.331SS*.SBendtrans-129175.8-177.654.30000110.1V218 T285V218-T283 WeakPolarHBondContact CG1-O 3.5Å; T283-T285 PolarHBondContact O-N 2.92Å; T283-T285 PolarHBondContact O-OG1 3.35Å
284H90.9Very high87.4Confident124 Ų12455.4 Ų55.457%0.57433%0.33SS*.SBendtrans-55114.5172.1-54.1-58.7000110.3R219R219-H284 HydrophobicContact CB-CB 4.36Å; R219-H284 WeakPolarHBondContact CB-ND1 3.22Å; R219-H284 PolarHBondContact N-ND1 2.95Å; R219-H284 CarbonylContact O-C 3.14Å; R219-H284 VanDerWaalsContact O-CA 3.28Å; R219-H284 WeakPolarHBondContact O-CA 3.44Å
285T91.4Very high85.7Confident28 Ų2857.8 Ų57.817%0.17235%0.351CS..EExtended strand (participates in β ladder)trans-124.1144.1-169-64.80000110.6R219 V220 A221 T283 L287R219-T285 PolarHBondContact O-N 3.02Å; R219-T285 VanDerWaalsContact O-N 3.08Å; V220-T285 WeakPolarHBondContact CA-O 3.45Å; A221-T285 PolarHBondContact N-O 2.97Å; T283-T285 PolarHBondContact O-N 2.92Å; T283-T285 PolarHBondContact O-OG1 3.35Å; T285-L287 HydrophobicContact CG2-CD2 3.86Å; T285-L287 HydrophobicContact CG2-CG 4.43Å
286V92.9Very high83.8Confident47 Ų4761.3 Ų61.329%0.28537%0.371SS..EExtended strand (participates in β ladder)trans-103.6125.4173.4-1750000108.9A221 R223 T262A221-V286 HydrophobicContact CB-CB 4.48Å; A221-V286 HydrophobicContact CB-CG1 4.34Å; A221-V286 HydrophobicContact CB-CG2 4.14Å; A221-V286 WeakPolarHBondContact O-CA 3.49Å; R223-V286 HydrophobicContact CG-CG1 3.91Å; T262-V286 PolarHBondContact OG1-O 3.45Å
287L93.6Very high81.3Confident0 Ų070.6 Ų70.60%043%0.428CS..EExtended strand (participates in β ladder)trans-113.5140.2178.6-60.2-178.3000109.8V220 A221 L222 R223 L243 L259 C260 T261 L268 I281 T285V220-L287 HydrophobicContact CG1-CD1 3.56Å; V220-L287 HydrophobicContact CG1-CG 3.96Å; A221-L287 PolarHBondContact O-N 3.43Å; L222-L287 CarbonylContact C-O 3.49Å; L222-L287 WeakPolarHBondContact CA-O 3.28Å; L222-L287 HydrophobicContact CD2-CB 3.84Å; L222-L287 HydrophobicContact CD2-CD1 4.41Å; R223-L287 PolarHBondContact N-O 3.43Å; L243-L287 HydrophobicContact CD1-CD1 4.28Å; L259-L287 HydrophobicContact CD1-CD1 4.36Å; C260-L287 CarbonylContact O-C 3.56Å; C260-L287 WeakPolarHBondContact O-CA 3.38Å; T261-L287 HydrophobicContact CG2-CD2 4.29Å; L268-L287 HydrophobicContact CD1-CD1 3.51Å; L268-L287 HydrophobicContact CD1-CD2 3.53Å; L268-L287 HydrophobicContact CD1-CG 4.13Å; L268-L287 HydrophobicContact CG-CD2 4.27Å; I281-L287 HydrophobicContact CD1-CD1 4.18Å; T285-L287 HydrophobicContact CG2-CD2 3.86Å; T285-L287 HydrophobicContact CG2-CG 4.43Å
288N93.6Very high81.1Confident16 Ų1673.5 Ų73.59%0.08644%0.443CS..EExtended strand (participates in β ladder)trans-102.2131.9177.2-58.7-38.9000109.1R223 C260 E290R223-N288 VanDerWaalsContact CD-OD1 3.31Å; R223-N288 WeakPolarHBondContact CD-OD1 3.46Å; C260-N288 HydrophobicContact CB-CB 4.47Å; C260-N288 PolarHBondContact N-O 3.27Å; C260-N288 PolarHBondContact O-N 3.31Å; N288-E290 HydrophobicContact CB-CG 4.28Å
289V93.1Very high80.8Confident7 Ų770.7 Ų70.74%0.04243%0.431CS..EExtended strand (participates in β ladder)trans-89.5111.6172.9177.40000107.5L222 R223 P225 L247 Y252 Y257 L259L222-V289 HydrophobicContact CB-CG2 4.3Å; L222-V289 HydrophobicContact CD2-CG2 3.89Å; R223-V289 PolarHBondContact O-N 2.63Å; P225-V289 HydrophobicContact CG-CG1 4.44Å; P225-V289 WeakPolarHBondContact CG-O 3.47Å; L247-V289 HydrophobicContact CD1-CB 4.41Å; L247-V289 HydrophobicContact CD1-CG1 3.86Å; L247-V289 HydrophobicContact CD1-CG2 3.62Å; Y252-V289 HydrophobicContact CD1-CG1 4.18Å; Y252-V289 HydrophobicContact CG-CG1 4.14Å; Y257-V289 HydrophobicContact CD1-CG1 3.82Å; Y257-V289 HydrophobicContact CG-CG1 4.01Å; L259-V289 HydrophobicContact CD2-CG2 3.75Å
290E91.2Very high80.5Confident64 Ų6473.9 Ų73.930%0.29945%0.449SS..EExtended strand (participates in β ladder)trans-118.9153.7-176.6-65.9-177.2175.100110.6Y257 T258 C260 N288Y257-E290 CarbonylContact C-O 3.54Å; Y257-E290 WeakPolarHBondContact CA-O 3.3Å; T258-E290 PolarHBondContact N-O 3.07Å; T258-E290 PolarHBondContact O-N 2.99Å; C260-E290 HydrophobicContact CB-CG 4.48Å; C260-E290 PolarHBondContact SG-OE2 3.44Å; N288-E290 HydrophobicContact CB-CG 4.28Å
291G88.1Confident80.2Confident53 Ų5375.2 Ų75.255%0.54644%0.444SS..EExtended strand (participates in β ladder)trans-66.2132.5175.100000110.5V256V256-G291 CarbonylContact O-C 3.56Å; V256-G291 WeakPolarHBondContact O-CA 3.49Å
292K85.6Confident79.8Confident93 Ų9379.9 Ų79.940%0.40447%0.472SS..PPolyproline II helixtrans-82122.9176.5-173.5178.7-179.6-177.10109.1V256V256-K292 PolarHBondContact O-N 2.93Å
293D77.1Confident79.3Confident115 Ų11578.1 Ų78.162%0.61547%0.466SS*.PPolyproline II helixtrans-70.1136.2173.5-68.2-38.7000110.6S295D293-S295 PolarHBondContact O-N 3.26Å
294P61Low78.7Confident130 Ų13076.7 Ų76.784%0.84446%0.456SS*.THydrogen-bonded Turntrans-70.2-0.7-177.329.3-35.9000113.9
295S53.7Low77.7Confident100 Ų10073.1 Ų73.170%0.69945%0.447SS*.THydrogen-bonded Turntrans-86.7-5-177.153.10000114.5D293D293-S295 PolarHBondContact O-N 3.26Å
296T52.3Low76.6Confident102 Ų10276.8 Ų76.863%0.62647%0.47SS*.  trans-110.778.8-179.9-45.50000109.8
297T36.9Very low75.1Confident195 Ų19579.5 Ų79.5100%1.19649%0.487SS*.  trans-141.10164-64.90000108.4

Retrieved 297 of 297 residues in 1181.4 ms (Link to these results)