A0A087WUZ7_HUMAN Loading...

Sorting nexin-13

AlphaFold DB , UniProt , Accession A0A087WUZ7, Species HUMAN (Homo sapiens, Human), Gene SNX13, Length 888 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
1M47.7Very low58.8Low240 Ų240134 Ų134100%1.18274%0.735SS**  0110.10-73-174.3168.800105.6
2L41Very low60.5Low157 Ų157136.5 Ų136.582%0.82273%0.725SS**  cis-143.5137.843.2-74.4122.9000111.3
3T47.9Very low61.9Low132 Ų132128.8 Ų128.881%0.8170%0.698SS**  trans-68.7136.2157.340.60000109.5
4E45.7Very low63.2Low180 Ų180124.4 Ų124.484%0.84168%0.682SS**  trans-160.6122.4153.1-116.7160.2-159.300114.8
5A54.3Low64.5Low86 Ų86121.5 Ų121.571%0.71166%0.664SS**  trans54.489.7153.900000120.1L7A5-L7 PolarHBondContact O-N 3.18Å; A5-L7 VanDerWaalsContact O-N 3.16Å
6S55.3Low65.6Low124 Ų124116.3 Ų116.387%0.86765%0.647SS**  trans-69.6101.7153.158.70000109.8S8S6-S8 PolarHBondContact O-N 3.28Å
7L60.1Low66.5Low103 Ų103115.6 Ų115.654%0.53964%0.641SS.*  trans-65.2119.1165.4-123.683.2000108.3A5A5-L7 PolarHBondContact O-N 3.18Å; A5-L7 VanDerWaalsContact O-N 3.16Å
8S69.6Low67.4Low69 Ų69113.4 Ų113.448%0.48363%0.631SS.*  trans-50.7145.3175.1168.50000111.2S6 W10 G11 W12S6-S8 PolarHBondContact O-N 3.28Å; S8-W10 PolarHBondContact O-N 3.06Å; S8-W10 PolarHBondContact OG-N 3.32Å; S8-G11 WeakPolarHBondContact O-CA 3.47Å; S8-G11 PolarHBondContact O-N 3.37Å; S8-W12 PolarHBondContact O-N 3.16Å
9I72.1Confident68.2Low149 Ų149112.4 Ų112.476%0.76462%0.624SS**Hα-helixtrans-48.8-33.2173.7-70.3163000111.3W12 G13I9-W12 PolarHBondContact O-N 3.42Å; I9-G13 PolarHBondContact O-N 2.84Å
10W74.8Confident68.9Low207 Ų207111.4 Ų111.478%0.78461%0.613SS**Hα-helixtrans-64.8-36.1174.6-67.793.6000113.2S8 G13 S14S8-W10 PolarHBondContact O-N 3.06Å; S8-W10 PolarHBondContact OG-N 3.32Å; W10-G13 PolarHBondContact O-N 3Å; W10-S14 WeakPolarHBondContact O-CB 3.39Å; W10-S14 PolarHBondContact O-N 2.58Å; W10-S14 PolarHBondContact O-OG 3.41Å
11G78.3Confident69.5Low27 Ų27108.7 Ų108.728%0.27860%0.597SS.*Hα-helixtrans-67.1-42.717600000112.7S8 S14 L15S8-G11 WeakPolarHBondContact O-CA 3.47Å; S8-G11 PolarHBondContact O-N 3.37Å; G11-S14 PolarHBondContact O-N 3.06Å; G11-L15 WeakPolarHBondContact O-CB 2.95Å; G11-L15 PolarHBondContact O-N 3.41Å
12W79.8Confident71.1Confident164 Ų164103.4 Ų103.462%0.62157%0.572SS**Hα-helixtrans-68-37.7173.9-73.5106.4000112.2S8 I9 L15 G16S8-W12 PolarHBondContact O-N 3.16Å; I9-W12 PolarHBondContact O-N 3.42Å; W12-L15 HydrophobicContact CE3-CD2 4.15Å; W12-L15 HydrophobicContact CZ3-CD2 4.05Å; W12-L15 PolarHBondContact O-N 3.09Å; W12-G16 PolarHBondContact O-N 3.04Å
13G78.8Confident73.1Confident36 Ų36100.7 Ų100.737%0.37156%0.563SS.*Hα-helixtrans-62.1-46.8172.800000112.6I9 W10 G16 I17I9-G13 PolarHBondContact O-N 2.84Å; W10-G13 PolarHBondContact O-N 3Å; G13-G16 PolarHBondContact O-N 3.33Å; G13-I17 WeakPolarHBondContact O-CG1 3.44Å; G13-I17 PolarHBondContact O-N 3.02Å
14S79.8Confident74.7Confident67 Ų67100.2 Ų100.247%0.46955%0.549SS..Hα-helixtrans-64.6-41.3176.7-65.30000112.4W10 G11 G16 I17 V18W10-S14 WeakPolarHBondContact O-CB 3.39Å; W10-S14 PolarHBondContact O-N 2.58Å; W10-S14 PolarHBondContact O-OG 3.41Å; G11-S14 PolarHBondContact O-N 3.06Å; S14-G16 VanDerWaalsContact C-N 3.33Å; S14-G16 PolarHBondContact O-N 3.25Å; S14-I17 PolarHBondContact O-N 3.29Å; S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 3.13Å
15L82.7Confident76.5Confident81 Ų8192.6 Ų92.642%0.42452%0.52SS..Hα-helixtrans-62.7-41.4174.7-17566.9000111.3G11 W12 V18 L19G11-L15 WeakPolarHBondContact O-CB 2.95Å; G11-L15 PolarHBondContact O-N 3.41Å; W12-L15 HydrophobicContact CE3-CD2 4.15Å; W12-L15 HydrophobicContact CZ3-CD2 4.05Å; W12-L15 PolarHBondContact O-N 3.09Å; L15-V18 PolarHBondContact O-N 3.32Å; L15-L19 HydrophobicContact CD1-CD1 4.3Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.97Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.75Å
16G81.6Confident77.7Confident38 Ų3892.8 Ų92.839%0.39251%0.514SS..Hα-helixtrans-60.2-45.3174.900000112.6W12 G13 S14 F20W12-G16 PolarHBondContact O-N 3.04Å; G13-G16 PolarHBondContact O-N 3.33Å; S14-G16 VanDerWaalsContact C-N 3.33Å; S14-G16 PolarHBondContact O-N 3.25Å; G16-F20 WeakPolarHBondContact O-CB 3.49Å; G16-F20 PolarHBondContact O-N 3.22Å
17I81.6Confident79Confident105 Ų10593.4 Ų93.454%0.53850%0.501SS..Hα-helixtrans-64.6-43.1177.6-67.1164.9000111.2G13 S14 F20 L21G13-I17 WeakPolarHBondContact O-CG1 3.44Å; G13-I17 PolarHBondContact O-N 3.02Å; S14-I17 PolarHBondContact O-N 3.29Å; I17-F20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.93Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CB 3.48Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 2.89Å
18V82.1Confident80.1Confident77 Ų7789.8 Ų89.847%0.46748%0.483SS..Hα-helixtrans-65.7-46.8179.21710000111.1S14 L15 F20 L21 I22S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 3.32Å; V18-F20 VanDerWaalsContact C-N 3.31Å; V18-F20 PolarHBondContact O-N 3.45Å; V18-L21 PolarHBondContact O-N 3.02Å; V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.45Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.1Å; V18-I22 PolarHBondContact O-N 3.07Å
19L83.3Confident80.6Confident93 Ų9391 Ų9149%0.48748%0.483SS..Hα-helixtrans-62.4-39.3176.5-74171.6000111.6L15 I22 T23L15-L19 HydrophobicContact CD1-CD1 4.3Å; L15-L19 HydrophobicContact CD1-CG 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.97Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.1Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.75Å; L19-I22 PolarHBondContact O-N 3.49Å; L19-T23 WeakPolarHBondContact O-CB 3.2Å; L19-T23 PolarHBondContact O-N 3.41Å; L19-T23 PolarHBondContact O-OG1 3.31Å
20F80.9Confident81.3Confident92 Ų9291 Ų9140%0.40448%0.478SS..Hα-helixtrans-63.3-43.8176.1-174.2-106.9000112G16 I17 V18 T23 F24 V28G16-F20 WeakPolarHBondContact O-CB 3.49Å; G16-F20 PolarHBondContact O-N 3.22Å; I17-F20 PolarHBondContact O-N 3.35Å; V18-F20 VanDerWaalsContact C-N 3.31Å; V18-F20 PolarHBondContact O-N 3.45Å; F20-T23 PolarHBondContact O-N 2.93Å; F20-F24 AromaticContact CD2-CD2 3.51Å; F20-F24 HydrophobicContact CD2-CD2 3.51Å; F20-F24 AromaticContact CD2-CE2 3.61Å; F20-F24 HydrophobicContact CD2-CE2 3.61Å; F20-F24 AromaticContact CE2-CD2 3.59Å; F20-F24 HydrophobicContact CE2-CD2 3.59Å; F20-F24 AromaticContact CE2-CE2 3.69Å; F20-F24 HydrophobicContact CE2-CE2 3.69Å; F20-F24 HydrophobicContact CG-CD2 4.17Å; F20-F24 HydrophobicContact CZ-CD2 4.33Å; F20-F24 WeakPolarHBondContact O-CD2 3.04Å; F20-F24 PolarHBondContact O-N 3.41Å; F20-V28 HydrophobicContact CD1-CG1 4.08Å; F20-V28 HydrophobicContact CE1-CG1 3.18Å; F20-V28 HydrophobicContact CZ-CG1 3.47Å; F20-V28 VanDerWaalsContact CZ-CG1 3.47Å
21L81.6Confident81.7Confident56 Ų5687.6 Ų87.629%0.29347%0.466SS..Hα-helixtrans-69.1-33.3176.9-72.1171.1000113.4I17 V18 G25 I29I17-L21 HydrophobicContact CG2-CD1 3.93Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CB 3.48Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 2.89Å; V18-L21 PolarHBondContact O-N 3.02Å; L21-G25 CarbonylContact O-C 3.57Å; L21-G25 WeakPolarHBondContact O-CA 3.45Å; L21-G25 PolarHBondContact O-N 2.8Å; L21-I29 HydrophobicContact CD2-CD1 3.78Å; L21-I29 HydrophobicContact CD2-CG1 3.98Å
22I82.9Confident82Confident128 Ų12890.9 Ų90.966%0.65648%0.477SS*.Hα-helixtrans-69.2-43.7174-69.8168.3000110.5V18 L19V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.45Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.1Å; V18-I22 PolarHBondContact O-N 3.07Å; L19-I22 PolarHBondContact O-N 3.49Å
23T82.9Confident82.2Confident100 Ų10086.4 Ų86.461%0.61347%0.467SS*.Hα-helixtrans-72-39.7-173.4-50.80000111.9L19 F20L19-T23 WeakPolarHBondContact O-CB 3.2Å; L19-T23 PolarHBondContact O-N 3.41Å; L19-T23 PolarHBondContact O-OG1 3.31Å; F20-T23 PolarHBondContact O-N 2.93Å
24F80.1Confident82.7Confident122 Ų12290.5 Ų90.554%0.53548%0.475SS..Hα-helixtrans-112-0.5-174.4-56-79.4000114.5F20 V28F20-F24 AromaticContact CD2-CD2 3.51Å; F20-F24 HydrophobicContact CD2-CD2 3.51Å; F20-F24 AromaticContact CD2-CE2 3.61Å; F20-F24 HydrophobicContact CD2-CE2 3.61Å; F20-F24 AromaticContact CE2-CD2 3.59Å; F20-F24 HydrophobicContact CE2-CD2 3.59Å; F20-F24 AromaticContact CE2-CE2 3.69Å; F20-F24 HydrophobicContact CE2-CE2 3.69Å; F20-F24 HydrophobicContact CG-CD2 4.17Å; F20-F24 HydrophobicContact CZ-CD2 4.33Å; F20-F24 WeakPolarHBondContact O-CD2 3.04Å; F20-F24 PolarHBondContact O-N 3.41Å; F24-V28 HydrophobicContact CB-CB 3.89Å; F24-V28 HydrophobicContact CB-CG1 4.28Å; F24-V28 HydrophobicContact CB-CG2 3.4Å; F24-V28 VanDerWaalsContact CB-CG2 3.4Å; F24-V28 HydrophobicContact CG-CG2 4.27Å
25G84.2Confident83Confident21 Ų2194.9 Ų94.922%0.21648%0.482CS..  trans77.2165.7-17900000114L21 F27 V28L21-G25 CarbonylContact O-C 3.57Å; L21-G25 WeakPolarHBondContact O-CA 3.45Å; L21-G25 PolarHBondContact O-N 2.8Å; G25-F27 PolarHBondContact O-N 2.86Å; G25-V28 PolarHBondContact O-N 3.04Å
26P80.3Confident83.3Confident90 Ų9095.4 Ų95.458%0.58449%0.485SS*.THydrogen-bonded Turntrans-65.4-20.5179.526.8-34.3000113.1V28P26-V28 PolarHBondContact O-N 3.22Å
27F82.2Confident83.6Confident137 Ų13799 Ų9960%0.60149%0.494SS*.Hα-helixtrans-69.9-17.5179.3-67.1-72.9000113.8G25 I29 F30 Y31G25-F27 PolarHBondContact O-N 2.86Å; F27-I29 PolarHBondContact O-N 3.24Å; F27-F30 HydrophobicContact CD1-CD2 4.36Å; F27-F30 WeakPolarHBondContact O-CB 3.49Å; F27-F30 PolarHBondContact O-N 2.88Å; F27-Y31 HydrophobicContact CB-CD2 4.34Å; F27-Y31 HydrophobicContact CB-CE2 3.99Å; F27-Y31 WeakPolarHBondContact O-CD2 3.41Å; F27-Y31 PolarHBondContact O-N 3.39Å; F27-Y31 VanDerWaalsContact O-N 3.07Å
28V82.4Confident84Confident27 Ų2797 Ų9716%0.16449%0.489CS..Hα-helixtrans-64.2-29.3179135.20000112.9F20 F24 G25 P26 F30 Y31 L32F20-V28 HydrophobicContact CD1-CG1 4.08Å; F20-V28 HydrophobicContact CE1-CG1 3.18Å; F20-V28 HydrophobicContact CZ-CG1 3.47Å; F20-V28 VanDerWaalsContact CZ-CG1 3.47Å; F24-V28 HydrophobicContact CB-CB 3.89Å; F24-V28 HydrophobicContact CB-CG1 4.28Å; F24-V28 HydrophobicContact CB-CG2 3.4Å; F24-V28 VanDerWaalsContact CB-CG2 3.4Å; F24-V28 HydrophobicContact CG-CG2 4.27Å; G25-V28 PolarHBondContact O-N 3.04Å; P26-V28 PolarHBondContact O-N 3.22Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.45Å; V28-Y31 PolarHBondContact O-N 3.16Å; V28-L32 VanDerWaalsContact O-CB 3.29Å; V28-L32 WeakPolarHBondContact O-CB 3.36Å; V28-L32 PolarHBondContact O-N 3.05Å
29I81.4Confident84.4Confident95 Ų95101.5 Ų101.549%0.48750%0.503SS..Hα-helixtrans-61.2-46.5172.7-62.4174.2000109.5L21 F27 Y31 L32 T33L21-I29 HydrophobicContact CD2-CD1 3.78Å; L21-I29 HydrophobicContact CD2-CG1 3.98Å; F27-I29 PolarHBondContact O-N 3.24Å; I29-Y31 PolarHBondContact O-N 3.49Å; I29-L32 PolarHBondContact O-N 2.88Å; I29-T33 WeakPolarHBondContact O-CB 3.29Å; I29-T33 PolarHBondContact O-N 2.97Å; I29-T33 PolarHBondContact O-OG1 3.17Å
30F84.9Confident84.7Confident148 Ų148100.8 Ų100.865%0.64950%0.502SS*.Hα-helixtrans-63.1-42.1179-70-79.7000112.3F27 V28 T33 F34F27-F30 HydrophobicContact CD1-CD2 4.36Å; F27-F30 WeakPolarHBondContact O-CB 3.49Å; F27-F30 PolarHBondContact O-N 2.88Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 3.45Å; F30-T33 PolarHBondContact O-N 3.28Å; F30-F34 VanDerWaalsContact O-CB 3.27Å; F30-F34 WeakPolarHBondContact O-CB 3.49Å; F30-F34 PolarHBondContact O-N 3.42Å
31Y83.7Confident85.2Confident136 Ų13697.8 Ų97.853%0.53350%0.497SS..Hα-helixtrans-64.6-43.1175.3-69.4-60000111.8F27 V28 I29 F34 Y35F27-Y31 HydrophobicContact CB-CD2 4.34Å; F27-Y31 HydrophobicContact CB-CE2 3.99Å; F27-Y31 WeakPolarHBondContact O-CD2 3.41Å; F27-Y31 PolarHBondContact O-N 3.39Å; F27-Y31 VanDerWaalsContact O-N 3.07Å; V28-Y31 PolarHBondContact O-N 3.16Å; I29-Y31 PolarHBondContact O-N 3.49Å; Y31-F34 PolarHBondContact O-N 3.34Å; Y31-Y35 WeakPolarHBondContact O-CD2 3.19Å; Y31-Y35 PolarHBondContact O-N 2.92Å
32L85.3Confident85.7Confident96 Ų9696.7 Ų96.750%0.50350%0.499SS..Hα-helixtrans-63.7-44.1178.1-159.6108.3000111.1V28 I29 F34 Y35 I36V28-L32 VanDerWaalsContact O-CB 3.29Å; V28-L32 WeakPolarHBondContact O-CB 3.36Å; V28-L32 PolarHBondContact O-N 3.05Å; I29-L32 PolarHBondContact O-N 2.88Å; L32-F34 VanDerWaalsContact C-N 3.35Å; L32-F34 PolarHBondContact O-N 3.35Å; L32-Y35 PolarHBondContact O-N 3.43Å; L32-I36 HydrophobicContact CD2-CD1 3.86Å; L32-I36 HydrophobicContact CG-CD1 4.26Å; L32-I36 WeakPolarHBondContact O-CB 3.47Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.86Å
33T84.2Confident86.1Confident69 Ų6992.2 Ų92.242%0.42349%0.485SS..Hα-helixtrans-62.3-41.7174.4-52.90000111.4I29 F30 I36 L37I29-T33 WeakPolarHBondContact O-CB 3.29Å; I29-T33 PolarHBondContact O-N 2.97Å; I29-T33 PolarHBondContact O-OG1 3.17Å; F30-T33 PolarHBondContact O-N 3.28Å; T33-I36 PolarHBondContact O-N 3.18Å; T33-L37 HydrophobicContact CG2-CD1 4.19Å; T33-L37 WeakPolarHBondContact O-CB 3.35Å; T33-L37 WeakPolarHBondContact O-CG 3.37Å; T33-L37 PolarHBondContact O-N 3.29Å
34F88.3Confident86.4Confident122 Ų12292.5 Ų92.554%0.53548%0.482SS..Hα-helixtrans-62.9-45.9175.7-179.8-100000111.9F30 Y31 L32 I36 L37 C38F30-F34 VanDerWaalsContact O-CB 3.27Å; F30-F34 WeakPolarHBondContact O-CB 3.49Å; F30-F34 PolarHBondContact O-N 3.42Å; Y31-F34 PolarHBondContact O-N 3.34Å; L32-F34 VanDerWaalsContact C-N 3.35Å; L32-F34 PolarHBondContact O-N 3.35Å; F34-I36 VanDerWaalsContact C-N 3.35Å; F34-I36 PolarHBondContact O-N 3.2Å; F34-L37 PolarHBondContact O-N 3.19Å; F34-C38 VanDerWaalsContact CE1-SG 3.59Å; F34-C38 VanDerWaalsContact CZ-SG 3.52Å; F34-C38 WeakPolarHBondContact O-CB 3.29Å; F34-C38 PolarHBondContact O-N 3.26Å; F34-C38 PolarHBondContact O-SG 3.41Å; F34-C38 VanDerWaalsContact O-SG 3.39Å
35Y86.3Confident86.9Confident159 Ų15990.5 Ų90.562%0.62448%0.479SS*.Hα-helixtrans-63.7-39.3176.7-74.7-58.5000112.4Y31 L32 C38 F39Y31-Y35 WeakPolarHBondContact O-CD2 3.19Å; Y31-Y35 PolarHBondContact O-N 2.92Å; L32-Y35 PolarHBondContact O-N 3.43Å; Y35-C38 PolarHBondContact O-N 3.46Å; Y35-F39 VanDerWaalsContact O-CB 3.27Å; Y35-F39 WeakPolarHBondContact O-CB 3.38Å; Y35-F39 PolarHBondContact O-N 3.34Å
36I88.8Confident87.2Confident92 Ų9294 Ų9447%0.47250%0.497SS..Hα-helixtrans-63.5-45174-69.2166.3000110.2L32 T33 F34 F39 V40L32-I36 HydrophobicContact CD2-CD1 3.86Å; L32-I36 HydrophobicContact CG-CD1 4.26Å; L32-I36 WeakPolarHBondContact O-CB 3.47Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.86Å; T33-I36 PolarHBondContact O-N 3.18Å; F34-I36 VanDerWaalsContact C-N 3.35Å; F34-I36 PolarHBondContact O-N 3.2Å; I36-F39 PolarHBondContact O-N 2.9Å; I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CB 3.18Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 2.99Å
37L87.8Confident87.6Confident114 Ų11494.3 Ų94.360%0.59750%0.497SS*.Hα-helixtrans-63.3-41.5176.9-77.1169.6000112.3T33 F34 G41T33-L37 HydrophobicContact CG2-CD1 4.19Å; T33-L37 WeakPolarHBondContact O-CB 3.35Å; T33-L37 WeakPolarHBondContact O-CG 3.37Å; T33-L37 PolarHBondContact O-N 3.29Å; F34-L37 PolarHBondContact O-N 3.19Å; L37-G41 WeakPolarHBondContact O-CA 3.39Å; L37-G41 PolarHBondContact O-N 3.41Å
38C90.4Very high87.9Confident63 Ų6393.9 Ų93.943%0.42650%0.5SS..Hα-helixtrans-65.3-38.4174.3-730000112.1F34 Y35 G42F34-C38 VanDerWaalsContact CE1-SG 3.59Å; F34-C38 VanDerWaalsContact CZ-SG 3.52Å; F34-C38 WeakPolarHBondContact O-CB 3.29Å; F34-C38 PolarHBondContact O-N 3.26Å; F34-C38 PolarHBondContact O-SG 3.41Å; F34-C38 VanDerWaalsContact O-SG 3.39Å; Y35-C38 PolarHBondContact O-N 3.46Å; C38-G42 WeakPolarHBondContact O-CA 3.27Å; C38-G42 PolarHBondContact O-N 2.96Å
39F90.8Very high88.2Confident172 Ų17297.4 Ų97.475%0.75452%0.518SS*.Hα-helixtrans-68-46.9177.6-177.5-96.6000111.6Y35 I36 G42 G43Y35-F39 VanDerWaalsContact O-CB 3.27Å; Y35-F39 WeakPolarHBondContact O-CB 3.38Å; Y35-F39 PolarHBondContact O-N 3.34Å; I36-F39 PolarHBondContact O-N 2.9Å; F39-G42 PolarHBondContact O-N 2.94Å; F39-G43 PolarHBondContact O-N 3.13Å
40V89.9Confident88.6Confident77 Ų7799.4 Ų99.447%0.46752%0.523SS..Hα-helixtrans-65.6-45.6176.9174.30000110.6I36 G43 L44I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CB 3.18Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 2.99Å; V40-G43 PolarHBondContact O-N 2.95Å; V40-L44 HydrophobicContact CG1-CD1 4.26Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 2.92Å
41G91.6Very high88.7Confident30 Ų3094 Ų9431%0.30951%0.51SS..Hα-helixtrans-62.3-44.4176.600000112.4L37 L44 V45L37-G41 WeakPolarHBondContact O-CA 3.39Å; L37-G41 PolarHBondContact O-N 3.41Å; G41-L44 PolarHBondContact O-N 2.91Å; G41-V45 WeakPolarHBondContact O-CG2 3.31Å; G41-V45 PolarHBondContact O-N 3.25Å
42G91.9Very high88.9Confident33 Ų3393.2 Ų93.234%0.3451%0.509SS..Hα-helixtrans-61.8-42.8173.700000112.3C38 F39 L44 V45 V46C38-G42 WeakPolarHBondContact O-CA 3.27Å; C38-G42 PolarHBondContact O-N 2.96Å; F39-G42 PolarHBondContact O-N 2.94Å; G42-L44 PolarHBondContact O-N 3.48Å; G42-V45 PolarHBondContact O-N 3.28Å; G42-V46 WeakPolarHBondContact O-CB 3.41Å; G42-V46 VanDerWaalsContact O-CG2 3.31Å; G42-V46 WeakPolarHBondContact O-CG2 3.3Å; G42-V46 PolarHBondContact O-N 3.08Å
43G90.5Very high89Confident34 Ų3491.6 Ų91.635%0.35150%0.503SS..Hα-helixtrans-61.2-41.6174.600000113.1F39 V40 V46 T47F39-G43 PolarHBondContact O-N 3.13Å; V40-G43 PolarHBondContact O-N 2.95Å; G43-V46 PolarHBondContact O-N 3.34Å; G43-T47 WeakPolarHBondContact O-CB 3.34Å; G43-T47 PolarHBondContact O-N 2.94Å; G43-T47 PolarHBondContact O-OG1 3.37Å
44L89.4Confident89Confident106 Ų10692.4 Ų92.456%0.55551%0.505SS*.Hα-helixtrans-64.7-44.3173.8-73.9172000111.7V40 G41 G42 T47 L48V40-L44 HydrophobicContact CG1-CD1 4.26Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 2.92Å; G41-L44 PolarHBondContact O-N 2.91Å; G42-L44 PolarHBondContact O-N 3.48Å; L44-T47 PolarHBondContact O-N 3.25Å; L44-L48 WeakPolarHBondContact O-CB 3.19Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.15Å
45V91.1Very high88.4Confident79 Ų7989.7 Ų89.748%0.47950%0.501SS..Hα-helixtrans-62.5-44.3176.21700000111G41 G42 T47 L48 L49G41-V45 WeakPolarHBondContact O-CG2 3.31Å; G41-V45 PolarHBondContact O-N 3.25Å; G42-V45 PolarHBondContact O-N 3.28Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.97Å; V45-L48 PolarHBondContact O-N 3.09Å; V45-L49 HydrophobicContact CG1-CD1 3.76Å; V45-L49 HydrophobicContact CG1-CG 4.23Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 3.49Å
46V90.3Very high88.1Confident96 Ų9686.5 Ų86.558%0.58249%0.492SS*.Hα-helixtrans-63.4-40.3176.5170.20000110.7G42 G43 L49 F50G42-V46 WeakPolarHBondContact O-CB 3.41Å; G42-V46 VanDerWaalsContact O-CG2 3.31Å; G42-V46 WeakPolarHBondContact O-CG2 3.3Å; G42-V46 PolarHBondContact O-N 3.08Å; G43-V46 PolarHBondContact O-N 3.34Å; V46-L49 PolarHBondContact O-N 3.2Å; V46-F50 WeakPolarHBondContact O-CA 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.18Å; V46-F50 PolarHBondContact O-N 3.01Å
47T88.7Confident87.7Confident96 Ų9687.8 Ų87.859%0.58949%0.494SS*.Hα-helixtrans-69.7-37.2178.3-570000111.6G43 L44 V45 G51G43-T47 WeakPolarHBondContact O-CB 3.34Å; G43-T47 PolarHBondContact O-N 2.94Å; G43-T47 PolarHBondContact O-OG1 3.37Å; L44-T47 PolarHBondContact O-N 3.25Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.97Å; T47-G51 WeakPolarHBondContact O-CA 3Å; T47-G51 PolarHBondContact O-N 2.94Å
48L88.8Confident87.1Confident127 Ų12789.8 Ų89.867%0.66550%0.495SS*.Hα-helixtrans-69.1-42.2174.3-75.9173.6000111.9L44 V45 K52L44-L48 WeakPolarHBondContact O-CB 3.19Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.15Å; V45-L48 PolarHBondContact O-N 3.09Å; L48-K52 WeakPolarHBondContact O-CB 3.3Å; L48-K52 PolarHBondContact O-N 2.98Å
49L88.9Confident86.1Confident101 Ų10192.3 Ų92.353%0.52950%0.503SS..Hα-helixtrans-68.8-44.4176.5-72.4174.8000111V45 V46 K52 T53V45-L49 HydrophobicContact CG1-CD1 3.76Å; V45-L49 HydrophobicContact CG1-CG 4.23Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 3.49Å; V46-L49 PolarHBondContact O-N 3.2Å; L49-K52 PolarHBondContact O-N 3.25Å; L49-T53 WeakPolarHBondContact O-CB 3.5Å; L49-T53 PolarHBondContact O-N 2.97Å; L49-T53 PolarHBondContact O-OG1 3.16Å
50F89.6Confident85.1Confident137 Ų13789.4 Ų89.460%0.60149%0.492SS*.Hα-helixtrans-63.1-44.2175.1-172-96.5000110.7V46 T53 N54V46-F50 WeakPolarHBondContact O-CA 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.18Å; V46-F50 PolarHBondContact O-N 3.01Å; F50-T53 PolarHBondContact O-N 3.27Å; F50-N54 VanDerWaalsContact O-CB 3.31Å; F50-N54 WeakPolarHBondContact O-CB 3.34Å; F50-N54 PolarHBondContact O-N 2.95Å
51G87.1Confident83.9Confident36 Ų3691.9 Ų91.937%0.37150%0.498SS..Hα-helixtrans-61.4-43.2174.400000112.3T47 N54 S55T47-G51 WeakPolarHBondContact O-CA 3Å; T47-G51 PolarHBondContact O-N 2.94Å; G51-N54 PolarHBondContact O-N 3.14Å; G51-S55 WeakPolarHBondContact O-CB 3.39Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 3.07Å
52K87.2Confident82.3Confident118 Ų11892.5 Ų92.551%0.51350%0.498SS..Hα-helixtrans-62.5-51.3174.5-178.8175.7171.9176.40111.1L48 L49 N54 S55 E56L48-K52 WeakPolarHBondContact O-CB 3.3Å; L48-K52 PolarHBondContact O-N 2.98Å; L49-K52 PolarHBondContact O-N 3.25Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.17Å; K52-S55 WeakPolarHBondContact CA-OG 3.31Å; K52-S55 CarbonylContact O-C 3.54Å; K52-S55 PolarHBondContact O-N 2.89Å; K52-S55 VanDerWaalsContact O-N 3.11Å; K52-S55 PolarHBondContact O-OG 3.05Å; K52-E56 WeakPolarHBondContact CE-OE1 3.37Å; K52-E56 HydrophobicContact CG-CG 4.43Å; K52-E56 IonicContact NZ-OE1 2.66Å; K52-E56 WeakPolarHBondContact O-CB 3.39Å; K52-E56 WeakPolarHBondContact O-CG 3.42Å; K52-E56 PolarHBondContact O-N 3.21Å
53T87.4Confident80.6Confident62 Ų6297 Ų9738%0.3851%0.51SS..Hα-helixtrans-63.5-37.8178.4-57.60000112.2L49 F50 K57L49-T53 WeakPolarHBondContact O-CB 3.5Å; L49-T53 PolarHBondContact O-N 2.97Å; L49-T53 PolarHBondContact O-OG1 3.16Å; F50-T53 PolarHBondContact O-N 3.27Å; T53-K57 WeakPolarHBondContact O-CB 3.43Å; T53-K57 WeakPolarHBondContact O-CG 3.41Å; T53-K57 PolarHBondContact O-N 3.32Å
54N83.7Confident78.9Confident86 Ų86102.8 Ų102.846%0.4653%0.528SS..Hα-helixtrans-70-36.1173.6-117.926.9000111.5F50 G51 K52 K57 Y58F50-N54 VanDerWaalsContact O-CB 3.31Å; F50-N54 WeakPolarHBondContact O-CB 3.34Å; F50-N54 PolarHBondContact O-N 2.95Å; G51-N54 PolarHBondContact O-N 3.14Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.17Å; N54-K57 PolarHBondContact O-N 3.16Å; N54-Y58 WeakPolarHBondContact O-CB 3.16Å; N54-Y58 PolarHBondContact O-N 3.44Å
55S75.8Confident76.9Confident66 Ų66101.6 Ų101.646%0.46253%0.528SS..Hα-helixtrans-68.9-36.8175.374.60000111.7G51 K52 Y58 L59G51-S55 WeakPolarHBondContact O-CB 3.39Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 3.07Å; K52-S55 WeakPolarHBondContact CA-OG 3.31Å; K52-S55 CarbonylContact O-C 3.54Å; K52-S55 PolarHBondContact O-N 2.89Å; K52-S55 VanDerWaalsContact O-N 3.11Å; K52-S55 PolarHBondContact O-OG 3.05Å; S55-Y58 CarbonylContact O-C 3.45Å; S55-Y58 PolarHBondContact O-N 3.09Å; S55-L59 WeakPolarHBondContact O-CB 3.3Å; S55-L59 PolarHBondContact O-N 3.09Å
56E80.9Confident75.1Confident91 Ų91105.5 Ų105.543%0.42554%0.539SS..Hα-helixtrans-69-42.8174.1-75170.816900110.3K52 Y58 L59 E60K52-E56 WeakPolarHBondContact CE-OE1 3.37Å; K52-E56 HydrophobicContact CG-CG 4.43Å; K52-E56 IonicContact NZ-OE1 2.66Å; K52-E56 WeakPolarHBondContact O-CB 3.39Å; K52-E56 WeakPolarHBondContact O-CG 3.42Å; K52-E56 PolarHBondContact O-N 3.21Å; E56-Y58 VanDerWaalsContact C-N 3.34Å; E56-Y58 PolarHBondContact O-N 2.97Å; E56-L59 CarbonylContact O-C 3.53Å; E56-L59 PolarHBondContact O-N 3.14Å; E56-E60 WeakPolarHBondContact O-CB 3.26Å; E56-E60 PolarHBondContact O-N 3.46Å
57K80.4Confident73.4Confident120 Ų120107.7 Ų107.752%0.52255%0.547SS..Hα-helixtrans-64.6-36.4171.9-78.5-179.6178.8-179.60113T53 N54 Q61T53-K57 WeakPolarHBondContact O-CB 3.43Å; T53-K57 WeakPolarHBondContact O-CG 3.41Å; T53-K57 PolarHBondContact O-N 3.32Å; N54-K57 PolarHBondContact O-N 3.16Å; K57-Q61 VanDerWaalsContact O-CB 3.29Å; K57-Q61 WeakPolarHBondContact O-CB 3.41Å; K57-Q61 WeakPolarHBondContact O-CG 3.31Å; K57-Q61 PolarHBondContact O-N 2.88Å
58Y74.1Confident71.6Confident156 Ų156108.1 Ų108.161%0.61255%0.551SS**Hα-helixtrans-71.6-36.2175-167.4-95.1000110.5N54 S55 E56 Q61 C62N54-Y58 WeakPolarHBondContact O-CB 3.16Å; N54-Y58 PolarHBondContact O-N 3.44Å; S55-Y58 CarbonylContact O-C 3.45Å; S55-Y58 PolarHBondContact O-N 3.09Å; E56-Y58 VanDerWaalsContact C-N 3.34Å; E56-Y58 PolarHBondContact O-N 2.97Å; Y58-Q61 CarbonylContact O-C 3.46Å; Y58-Q61 PolarHBondContact O-N 3.37Å; Y58-C62 VanDerWaalsContact CE1-SG 3.52Å; Y58-C62 VanDerWaalsContact O-CB 3.25Å; Y58-C62 WeakPolarHBondContact O-CB 3.2Å; Y58-C62 PolarHBondContact O-N 3.42Å; Y58-C62 PolarHBondContact O-SG 3.04Å
59L69.8Low69.7Low115 Ų115107.4 Ų107.460%0.60255%0.554SS**Hα-helixtrans-67.6-42.1173.4-16583.4000111S55 E56 C62 E63S55-L59 WeakPolarHBondContact O-CB 3.3Å; S55-L59 PolarHBondContact O-N 3.09Å; E56-L59 CarbonylContact O-C 3.53Å; E56-L59 PolarHBondContact O-N 3.14Å; L59-C62 CarbonylContact O-C 3.56Å; L59-C62 WeakPolarHBondContact O-CA 3.45Å; L59-C62 WeakPolarHBondContact O-CB 3.4Å; L59-C62 PolarHBondContact O-N 2.86Å; L59-C62 VanDerWaalsContact O-N 3.14Å; L59-E63 WeakPolarHBondContact O-CB 3.4Å; L59-E63 PolarHBondContact O-N 3.41Å
60E70.6Confident67.9Low111 Ų111107.5 Ų107.552%0.51956%0.559SS.*Hα-helixtrans-63.6-43.3171.2-83.3-177.4160.700110.7E56 C62 E63 H64E56-E60 WeakPolarHBondContact O-CB 3.26Å; E56-E60 PolarHBondContact O-N 3.46Å; E60-C62 VanDerWaalsContact C-N 3.26Å; E60-C62 PolarHBondContact O-N 2.86Å; E60-E63 PolarHBondContact O-N 3.23Å; E60-H64 WeakPolarHBondContact O-CB 3.48Å; E60-H64 PolarHBondContact O-CD2 3.09Å; E60-H64 PolarHBondContact O-N 3.38Å
61Q64.3Low66.3Low129 Ų129104.7 Ų104.760%0.60356%0.556SS**Hα-helixtrans-63.2-33171.4-86.8-176.7-24.600111.9K57 Y58 H64 S65K57-Q61 VanDerWaalsContact O-CB 3.29Å; K57-Q61 WeakPolarHBondContact O-CB 3.41Å; K57-Q61 WeakPolarHBondContact O-CG 3.31Å; K57-Q61 PolarHBondContact O-N 2.88Å; Y58-Q61 CarbonylContact O-C 3.46Å; Y58-Q61 PolarHBondContact O-N 3.37Å; Q61-H64 CarbonylContact O-C 3.34Å; Q61-H64 PolarHBondContact O-N 2.94Å; Q61-S65 WeakPolarHBondContact O-CA 3.23Å; Q61-S65 WeakPolarHBondContact O-CB 3.42Å; Q61-S65 PolarHBondContact O-N 2.83Å; Q61-S65 PolarHBondContact O-OG 3.2Å
62C58.4Low64.9Low43 Ų43107.2 Ų107.229%0.29157%0.566SS.*Hα-helixtrans-74.2-37174.6-76.60000112.4Y58 L59 E60 H64 S65 F66Y58-C62 VanDerWaalsContact CE1-SG 3.52Å; Y58-C62 VanDerWaalsContact O-CB 3.25Å; Y58-C62 WeakPolarHBondContact O-CB 3.2Å; Y58-C62 PolarHBondContact O-N 3.42Å; Y58-C62 PolarHBondContact O-SG 3.04Å; L59-C62 CarbonylContact O-C 3.56Å; L59-C62 WeakPolarHBondContact O-CA 3.45Å; L59-C62 WeakPolarHBondContact O-CB 3.4Å; L59-C62 PolarHBondContact O-N 2.86Å; L59-C62 VanDerWaalsContact O-N 3.14Å; E60-C62 VanDerWaalsContact C-N 3.26Å; E60-C62 PolarHBondContact O-N 2.86Å; C62-H64 VanDerWaalsContact C-N 3.27Å; C62-H64 PolarHBondContact O-N 2.69Å; C62-S65 VanDerWaalsContact CA-OG 3.27Å; C62-S65 WeakPolarHBondContact CA-OG 3.38Å; C62-S65 CarbonylContact O-C 3.57Å; C62-S65 PolarHBondContact O-N 3.1Å; C62-S65 PolarHBondContact O-OG 3.26Å; C62-F66 VanDerWaalsContact O-CD2 3.27Å; C62-F66 WeakPolarHBondContact O-CD2 3.37Å; C62-F66 PolarHBondContact O-N 3.36Å
63E56.4Low63.5Low129 Ų129103.2 Ų103.260%0.60356%0.558SS**Hα-helixtrans-61.9-37.3169.2-102.2-174.514800110.8L59 E60L59-E63 WeakPolarHBondContact O-CB 3.4Å; L59-E63 PolarHBondContact O-N 3.41Å; E60-E63 PolarHBondContact O-N 3.23Å
64H53.7Low62.5Low155 Ų155105.3 Ų105.372%0.71857%0.571SS**THydrogen-bonded Turntrans-88.3-7.6174-66.3-52.7000114.3E60 Q61 C62 F66E60-H64 WeakPolarHBondContact O-CB 3.48Å; E60-H64 PolarHBondContact O-CD2 3.09Å; E60-H64 PolarHBondContact O-N 3.38Å; Q61-H64 CarbonylContact O-C 3.34Å; Q61-H64 PolarHBondContact O-N 2.94Å; C62-H64 VanDerWaalsContact C-N 3.27Å; C62-H64 PolarHBondContact O-N 2.69Å; H64-F66 CarbonylContact C-O 3.57Å
65S47.4Very low61.8Low81 Ų81104.3 Ų104.357%0.56657%0.569SS**THydrogen-bonded Turntrans-1065.1173.582.70000112.7Q61 C62 L67Q61-S65 WeakPolarHBondContact O-CA 3.23Å; Q61-S65 WeakPolarHBondContact O-CB 3.42Å; Q61-S65 PolarHBondContact O-N 2.83Å; Q61-S65 PolarHBondContact O-OG 3.2Å; C62-S65 VanDerWaalsContact CA-OG 3.27Å; C62-S65 WeakPolarHBondContact CA-OG 3.38Å; C62-S65 CarbonylContact O-C 3.57Å; C62-S65 PolarHBondContact O-N 3.1Å; C62-S65 PolarHBondContact O-OG 3.26Å; S65-L67 PolarHBondContact O-N 2.9Å
66F54.4Low61.4Low160 Ų160106.5 Ų106.570%0.70257%0.57SS**SBendtrans-56.4107.4131.6-67.9-78.4000104.4C62 H64C62-F66 VanDerWaalsContact O-CD2 3.27Å; C62-F66 WeakPolarHBondContact O-CD2 3.37Å; C62-F66 PolarHBondContact O-N 3.36Å; H64-F66 CarbonylContact C-O 3.57Å
67L53.2Low60.6Low143 Ų143105.1 Ų105.175%0.74957%0.57SS**  trans-21.9130162.9-65.6156.5000108.5S65S65-L67 PolarHBondContact O-N 2.9Å
68P51.1Low60Low105 Ų105103.5 Ų103.568%0.68257%0.566SS**SBendtrans-43.8128.4171.621.1-31.9000105T70P68-T70 PolarHBondContact O-N 2.78Å
69P49.1Very low59.9Low112 Ų112102.1 Ų102.173%0.72757%0.566SS**  trans-48.3117.1-173.818.9-30.2000103.8S71P69-S71 PolarHBondContact O-N 3.23Å
70T50.5Low59.7Low102 Ų102101.6 Ų101.663%0.62656%0.56SS**  trans-63.984.2159.931.30000102P68 G73P68-T70 PolarHBondContact O-N 2.78Å; T70-G73 WeakPolarHBondContact O-CA 3.41Å; T70-G73 PolarHBondContact O-N 2.9Å
71S56.9Low59.4Low79 Ų79103.7 Ų103.755%0.55257%0.572SS**THydrogen-bonded Turntrans-67.4-8.9-179.4175.50000111.8P69 P75P69-S71 PolarHBondContact O-N 3.23Å; S71-P75 WeakPolarHBondContact O-CD 3.44Å; S71-P75 WeakPolarHBondContact O-CG 3.36Å
72P56.9Low59.4Low88 Ų88105 Ų10557%0.57158%0.575SS**THydrogen-bonded Turntrans-76.1-45.5155.22.511.6000109.7K76P72-K76 VanDerWaalsContact O-CA 3.29Å; P72-K76 WeakPolarHBondContact O-CA 3.4Å; P72-K76 WeakPolarHBondContact O-CB 3.47Å; P72-K76 PolarHBondContact O-N 3.33Å
73G58.9Low59.6Low34 Ų34111.3 Ų111.335%0.35159%0.593SS.*Hα-helixtrans-55.3-61.2-167.600000115.5T70 C77T70-G73 WeakPolarHBondContact O-CA 3.41Å; T70-G73 PolarHBondContact O-N 2.9Å; G73-C77 WeakPolarHBondContact O-CB 3.46Å; G73-C77 PolarHBondContact O-N 3.31Å
74V65.2Low59.6Low107 Ų107114.1 Ų114.165%0.64861%0.606SS**Hα-helixtrans-69.5-47.3-176.8177.40000111.8K76 C77 L78V74-K76 PolarHBondContact O-N 2.98Å; V74-C77 PolarHBondContact O-N 3.27Å; V74-L78 WeakPolarHBondContact O-CB 3.34Å; V74-L78 PolarHBondContact O-N 2.87Å
75P69.5Low59.8Low64 Ų64109.8 Ų109.842%0.41660%0.597SS.*Hα-helixtrans-64.4-36.7175.2-24.937.9000113.5S71 L78 E79S71-P75 WeakPolarHBondContact O-CD 3.44Å; S71-P75 WeakPolarHBondContact O-CG 3.36Å; P75-L78 CarbonylContact O-C 3.57Å; P75-L78 WeakPolarHBondContact O-CB 3.5Å; P75-L78 PolarHBondContact O-N 3.38Å; P75-E79 WeakPolarHBondContact O-CB 3.44Å; P75-E79 WeakPolarHBondContact O-CG 3.45Å; P75-E79 PolarHBondContact O-N 3.32Å
76K68.4Low60.5Low113 Ų113116.9 Ų116.949%0.49161%0.611SS.*Hα-helixtrans-69.3-37.8173.9-175.2-177.2175.9-172.50111.5P72 V74 L78 E79 E80P72-K76 VanDerWaalsContact O-CA 3.29Å; P72-K76 WeakPolarHBondContact O-CA 3.4Å; P72-K76 WeakPolarHBondContact O-CB 3.47Å; P72-K76 PolarHBondContact O-N 3.33Å; V74-K76 PolarHBondContact O-N 2.98Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-E79 CarbonylContact O-C 3.51Å; K76-E79 PolarHBondContact O-N 2.9Å; K76-E80 VanDerWaalsContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CE-OE1 3.17Å; K76-E80 HydrophobicContact CG-CG 4.47Å; K76-E80 WeakPolarHBondContact O-CB 3.28Å; K76-E80 VanDerWaalsContact O-CG 3.28Å; K76-E80 WeakPolarHBondContact O-CG 3.43Å; K76-E80 PolarHBondContact O-N 3.16Å
77C62.7Low60.7Low62 Ų62115.2 Ų115.242%0.41961%0.614SS.*Hα-helixtrans-67.3-40.3172.8-162.90000109.6G73 V74 E79 E80 M81G73-C77 WeakPolarHBondContact O-CB 3.46Å; G73-C77 PolarHBondContact O-N 3.31Å; V74-C77 PolarHBondContact O-N 3.27Å; C77-E79 PolarHBondContact O-N 3.43Å; C77-E80 PolarHBondContact O-N 2.89Å; C77-M81 VanDerWaalsContact O-CB 3.24Å; C77-M81 WeakPolarHBondContact O-CB 3.46Å; C77-M81 WeakPolarHBondContact O-CG 3.21Å; C77-M81 PolarHBondContact O-N 3.34Å
78L68.8Low61.3Low85 Ų85110.2 Ų110.245%0.44559%0.588SS.*Hα-helixtrans-65-37.7172.4-136.9100.8000112V74 P75 K76 K82V74-L78 WeakPolarHBondContact O-CB 3.34Å; V74-L78 PolarHBondContact O-N 2.87Å; P75-L78 CarbonylContact O-C 3.57Å; P75-L78 WeakPolarHBondContact O-CB 3.5Å; P75-L78 PolarHBondContact O-N 3.38Å; K76-L78 VanDerWaalsContact C-N 3.35Å; L78-K82 HydrophobicContact CD2-CD 4.4Å; L78-K82 WeakPolarHBondContact O-CB 3.45Å; L78-K82 WeakPolarHBondContact O-CD 3.25Å; L78-K82 WeakPolarHBondContact O-CG 3.43Å; L78-K82 PolarHBondContact O-N 3.48Å
79E71.1Confident62Low128 Ų128114 Ų11460%0.59859%0.594SS**Hα-helixtrans-71.2-37.2173.5-82-167.2165.900112P75 K76 C77 K82 R83P75-E79 WeakPolarHBondContact O-CB 3.44Å; P75-E79 WeakPolarHBondContact O-CG 3.45Å; P75-E79 PolarHBondContact O-N 3.32Å; K76-E79 CarbonylContact O-C 3.51Å; K76-E79 PolarHBondContact O-N 2.9Å; C77-E79 PolarHBondContact O-N 3.43Å; E79-K82 CarbonylContact O-C 3.35Å; E79-K82 PolarHBondContact O-N 3.08Å; E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 2.79Å
80E66.9Low63.1Low104 Ų104111.1 Ų111.149%0.48657%0.572SS.*Hα-helixtrans-70.3-35.6174.2-80175.1179.200111.4K76 C77K76-E80 VanDerWaalsContact CE-OE1 3.28Å; K76-E80 WeakPolarHBondContact CE-OE1 3.17Å; K76-E80 HydrophobicContact CG-CG 4.47Å; K76-E80 WeakPolarHBondContact O-CB 3.28Å; K76-E80 VanDerWaalsContact O-CG 3.28Å; K76-E80 WeakPolarHBondContact O-CG 3.43Å; K76-E80 PolarHBondContact O-N 3.16Å; C77-E80 PolarHBondContact O-N 2.89Å
81M63.4Low64.1Low154 Ų154110.9 Ų110.976%0.75957%0.567SS**Hα-helixtrans-73.6-29.3171.6-70.8175.380.600112.3C77C77-M81 VanDerWaalsContact O-CB 3.24Å; C77-M81 WeakPolarHBondContact O-CB 3.46Å; C77-M81 WeakPolarHBondContact O-CG 3.21Å; C77-M81 PolarHBondContact O-N 3.34Å
82K65.7Low65.1Low156 Ų156117 Ų11768%0.67858%0.578SS**Hα-helixtrans-83.6-19.8173.9-78172.4179.6-177.50113.3L78 E79 E84L78-K82 HydrophobicContact CD2-CD 4.4Å; L78-K82 WeakPolarHBondContact O-CB 3.45Å; L78-K82 WeakPolarHBondContact O-CD 3.25Å; L78-K82 WeakPolarHBondContact O-CG 3.43Å; L78-K82 PolarHBondContact O-N 3.48Å; E79-K82 CarbonylContact O-C 3.35Å; E79-K82 PolarHBondContact O-N 3.08Å; K82-E84 PolarHBondContact O-N 2.88Å
83R61.4Low66.4Low177 Ų177120.3 Ų120.367%0.66858%0.579SS**SBendtrans-62.1127.5170.4-89.4173.5173.7-176.3-1.6106.9E79 A85E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 2.79Å; R83-A85 PolarHBondContact O-N 3.49Å
84E56.1Low67.7Low187 Ų187119.2 Ų119.287%0.87457%0.565SS**PPolyproline II helixtrans-47.1127.6177-72.1179.7164.700109.6K82 R86K82-E84 PolarHBondContact O-N 2.88Å; E84-R86 PolarHBondContact O-N 2.97Å; E84-R86 VanDerWaalsContact O-N 3.14Å
85A58.9Low68.7Low64 Ų64115.1 Ų115.153%0.52954%0.54SS..PPolyproline II helixtrans-46.2125.2173.800000107.8R83 T87R83-A85 PolarHBondContact O-N 3.49Å; A85-T87 PolarHBondContact O-N 3.15Å; A85-T87 VanDerWaalsContact O-N 3.15Å
86R60.6Low69.4Low230 Ų230113.5 Ų113.587%0.86854%0.535SS*.PPolyproline II helixtrans-50.6130.4177-75.7-179.6175.6176.6-0107.2E84 I88E84-R86 PolarHBondContact O-N 2.97Å; E84-R86 VanDerWaalsContact O-N 3.14Å; R86-I88 VanDerWaalsContact C-N 3.32Å; R86-I88 PolarHBondContact O-N 3.44Å
87T59.6Low70.3Confident125 Ų125109.4 Ų109.477%0.76752%0.523SS*.  trans-6597.6174.643.30000108.3A85 K89A85-T87 PolarHBondContact O-N 3.15Å; A85-T87 VanDerWaalsContact O-N 3.15Å; T87-K89 PolarHBondContact O-N 2.99Å
88I66.1Low71.5Confident38 Ų38112.8 Ų112.820%0.19554%0.537CS..  trans-69.6102.5176.6-64.4166.6000106.6R86 I90 L131 E132 Q135R86-I88 VanDerWaalsContact C-N 3.32Å; R86-I88 PolarHBondContact O-N 3.44Å; I88-I90 HydrophobicContact CG2-CG1 3.93Å; I88-I90 PolarHBondContact O-N 3.46Å; I88-L131 HydrophobicContact CB-CB 4.4Å; I88-L131 HydrophobicContact CD1-CB 3.62Å; I88-E132 HydrophobicContact CD1-CG 3.76Å; I88-Q135 HydrophobicContact CG2-CB 4.29Å; I88-Q135 VanDerWaalsContact CG2-OE1 3.31Å
89K66.3Low72.5Confident185 Ų185112.1 Ų112.180%0.80453%0.533SS*.  trans-78.5104.5173.3-70-175.4-178.8179.60108.5T87T87-K89 PolarHBondContact O-N 2.99Å
90I70.6Confident73.5Confident51 Ų51106.8 Ų106.826%0.26251%0.508SS..  trans-84.6114.1177.4-63.6-176.3000108.3I88 L131 R134I88-I90 HydrophobicContact CG2-CG1 3.93Å; I88-I90 PolarHBondContact O-N 3.46Å; I90-L131 HydrophobicContact CD1-CD2 3.56Å; I90-R134 HydrophobicContact CD1-CG 4.24Å
91D72.7Confident74.7Confident98 Ų98102.1 Ų102.152%0.52449%0.486SS..  trans-70.6133.4170.1-163.1-14.5000109.1R93 Q138D91-R93 VanDerWaalsContact C-N 3.32Å; D91-R93 WeakPolarHBondContact OD1-CB 3.42Å; D91-R93 PolarHBondContact OD1-N 3.48Å; D91-Q138 PolarHBondContact O-NE2 3.39Å; D91-Q138 PolarHBondContact O-OE1 3.42Å
92R76.4Confident76Confident208 Ų208101 Ų10179%0.78548%0.479SS*.SBendtrans-80-21.6175.1-63.8-173.685.81775.5111.2Q105R92-Q105 PolarHBondContact O-NE2 3.09Å
93R84.3Confident77.3Confident157 Ų15793.7 Ų93.759%0.59245%0.448SS*.  trans-78.5128.3179.2-170.5179.2177.4160.88110.3D91 D101D91-R93 VanDerWaalsContact C-N 3.32Å; D91-R93 WeakPolarHBondContact OD1-CB 3.42Å; D91-R93 PolarHBondContact OD1-N 3.48Å; R93-D101 WeakPolarHBondContact CA-OD2 3.13Å
94L86.9Confident78.7Confident10 Ų1086.5 Ų86.55%0.05242%0.422CS..SBendtrans-116.8-59.1179.9-60.3174.4000110.7D101 L104 Q105 I108 Q138 I142L94-D101 VanDerWaalsContact N-CG 3.34Å; L94-D101 PolarHBondContact N-OD2 2.94Å; L94-L104 HydrophobicContact CD1-CB 3.63Å; L94-L104 HydrophobicContact CD1-CD1 4.23Å; L94-Q105 HydrophobicContact CD1-CG 4Å; L94-I108 HydrophobicContact CD1-CD1 4.02Å; L94-Q138 HydrophobicContact CD2-CB 3.93Å; L94-Q138 HydrophobicContact CD2-CG 3.78Å; L94-I142 HydrophobicContact CD2-CD1 4.34Å; L94-I142 HydrophobicContact CD2-CG1 4.13Å
95T87Confident80.4Confident21 Ų2178.6 Ų78.613%0.12939%0.385CS..SBendtrans-100-21.2-178.270.70000111.8A97 I100 D101 L104 A145 K149T95-A97 PolarHBondContact OG1-N 3.46Å; T95-I100 HydrophobicContact CG2-CB 4.42Å; T95-I100 HydrophobicContact CG2-CG2 3.91Å; T95-D101 WeakPolarHBondContact CA-OD1 3.26Å; T95-D101 VanDerWaalsContact CB-OD1 3.28Å; T95-D101 WeakPolarHBondContact CB-OD1 3.47Å; T95-D101 WeakPolarHBondContact CG2-OD1 3.44Å; T95-D101 PolarHBondContact N-OD1 3.26Å; T95-D101 PolarHBondContact N-OD2 3.43Å; T95-D101 PolarHBondContact OG1-OD1 3.16Å; T95-L104 HydrophobicContact CG2-CD1 3.77Å; T95-A145 HydrophobicContact CG2-CB 3.86Å; T95-K149 PolarHBondContact O-NZ 2.88Å
96G83.2Confident82Confident31 Ų3178.1 Ų78.132%0.3237%0.373SS..SBendtrans86.34.9-173.300000115.3D101G96-D101 PolarHBondContact N-OD2 3.42Å
97A87.1Confident83.4Confident27 Ų2768 Ų6822%0.22334%0.336CS..  trans-113.6111.9165.100000108.9T95 I99 I100 D101 P838T95-A97 PolarHBondContact OG1-N 3.46Å; A97-I99 HydrophobicContact CB-CG2 4.39Å; A97-I99 PolarHBondContact O-N 3.36Å; A97-I99 VanDerWaalsContact O-N 3.09Å; A97-I100 HydrophobicContact CB-CD1 4.04Å; A97-I100 HydrophobicContact CB-CG1 4.22Å; A97-I100 PolarHBondContact O-N 3.01Å; A97-D101 PolarHBondContact O-N 2.96Å; A97-P838 HydrophobicContact CB-CB 4.34Å
98N88.2Confident84.8Confident133 Ų13362.4 Ų62.471%0.71130%0.301SS*.Hα-helixtrans-56.4-31.7-175.8-73.5-9.9000113.2I100 D101 E102N98-I100 PolarHBondContact O-N 2.94Å; N98-D101 PolarHBondContact O-N 3.39Å; N98-E102 PolarHBondContact O-N 3.33Å; N98-E102 VanDerWaalsContact O-N 3.13Å
99I89.6Confident86Confident70 Ų7065.7 Ų65.736%0.35932%0.316SS..Hα-helixtrans-63.7-27.7179.1-163.2171.4000113.2A97 P103 P838 E839 A842A97-I99 HydrophobicContact CB-CG2 4.39Å; A97-I99 PolarHBondContact O-N 3.36Å; A97-I99 VanDerWaalsContact O-N 3.09Å; I99-P103 VanDerWaalsContact O-CD 3.23Å; I99-P103 WeakPolarHBondContact O-CD 3.49Å; I99-P103 WeakPolarHBondContact O-CG 3.36Å; I99-P838 HydrophobicContact CG2-CB 4.39Å; I99-E839 HydrophobicContact CD1-CG 4.38Å; I99-A842 HydrophobicContact CB-CB 4.34Å; I99-A842 HydrophobicContact CD1-CB 4.44Å; I99-A842 HydrophobicContact CG1-CB 3.81Å; I99-A842 HydrophobicContact CG2-CB 4.08Å; I99-A842 WeakPolarHBondContact O-CB 3.39Å
100I91.6Very high87.2Confident17 Ų1758.2 Ų58.29%0.08728%0.284CS..Hα-helixtrans-91.8-41.5175.8-53173.4000110.1T95 A97 N98 E102 P103 L104 P838 V841 A842 V845T95-I100 HydrophobicContact CG2-CB 4.42Å; T95-I100 HydrophobicContact CG2-CG2 3.91Å; A97-I100 HydrophobicContact CB-CD1 4.04Å; A97-I100 HydrophobicContact CB-CG1 4.22Å; A97-I100 PolarHBondContact O-N 3.01Å; N98-I100 PolarHBondContact O-N 2.94Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 3.02Å; I100-P103 VanDerWaalsContact O-CD 3.3Å; I100-P103 WeakPolarHBondContact O-CD 3.29Å; I100-L104 HydrophobicContact CG2-CD1 3.72Å; I100-L104 HydrophobicContact CG2-CG 4.13Å; I100-L104 WeakPolarHBondContact O-CG 3.35Å; I100-L104 PolarHBondContact O-N 3.32Å; I100-L104 VanDerWaalsContact O-N 3.1Å; I100-P838 HydrophobicContact CD1-CB 4.08Å; I100-P838 WeakPolarHBondContact CG1-O 2.95Å; I100-V841 HydrophobicContact CD1-CB 4.15Å; I100-V841 HydrophobicContact CD1-CG1 3.97Å; I100-V841 HydrophobicContact CG1-CG1 4.4Å; I100-V841 HydrophobicContact CG2-CG1 4.22Å; I100-A842 HydrophobicContact CG1-CB 3.95Å; I100-V845 HydrophobicContact CG2-CG2 4.44Å
101D92.5Very high88.1Confident5 Ų556.3 Ų56.33%0.02728%0.275CS..Hα-helixtrans-63.1-38.9-173.4-68.9-4.7000111.9R93 L94 T95 G96 A97 N98 L104 Q105R93-D101 WeakPolarHBondContact CA-OD2 3.13Å; L94-D101 VanDerWaalsContact N-CG 3.34Å; L94-D101 PolarHBondContact N-OD2 2.94Å; T95-D101 WeakPolarHBondContact CA-OD1 3.26Å; T95-D101 VanDerWaalsContact CB-OD1 3.28Å; T95-D101 WeakPolarHBondContact CB-OD1 3.47Å; T95-D101 WeakPolarHBondContact CG2-OD1 3.44Å; T95-D101 PolarHBondContact N-OD1 3.26Å; T95-D101 PolarHBondContact N-OD2 3.43Å; T95-D101 PolarHBondContact OG1-OD1 3.16Å; G96-D101 PolarHBondContact N-OD2 3.42Å; A97-D101 PolarHBondContact O-N 2.96Å; N98-D101 PolarHBondContact O-N 3.39Å; D101-L104 PolarHBondContact O-N 3.19Å; D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 WeakPolarHBondContact O-CG 3.36Å; D101-Q105 PolarHBondContact O-N 2.67Å
102E91.1Very high88.9Confident130 Ų13052.2 Ų52.261%0.60725%0.253SS*.Hα-helixtrans-61.5-54.5178.1172179.9-155.700113N98 I100 L104 Q105 Q106N98-E102 PolarHBondContact O-N 3.33Å; N98-E102 VanDerWaalsContact O-N 3.13Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 3.02Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 2.95Å; E102-Q105 PolarHBondContact O-N 3.41Å; E102-Q106 PolarHBondContact O-N 3.01Å
103P92.2Very high89.6Confident3 Ų346.2 Ų46.22%0.01923%0.23CC..Hα-helixtrans-56.8-41.2172.8-22.225.9000113.8I99 I100 Q105 Q106 V107 V845 K846I99-P103 VanDerWaalsContact O-CD 3.23Å; I99-P103 WeakPolarHBondContact O-CD 3.49Å; I99-P103 WeakPolarHBondContact O-CG 3.36Å; I100-P103 VanDerWaalsContact O-CD 3.3Å; I100-P103 WeakPolarHBondContact O-CD 3.29Å; P103-Q105 PolarHBondContact O-N 3.18Å; P103-Q106 WeakPolarHBondContact O-CB 3.33Å; P103-Q106 PolarHBondContact O-N 2.98Å; P103-V107 WeakPolarHBondContact O-CG2 3.46Å; P103-V107 PolarHBondContact O-N 3.18Å; P103-V845 HydrophobicContact CB-CB 4.23Å; P103-V845 HydrophobicContact CB-CG1 3.65Å; P103-K846 HydrophobicContact CB-CG 3.99Å; P103-K846 HydrophobicContact CG-CD 4.45Å; P103-K846 HydrophobicContact CG-CG 3.7Å
104L91.8Very high89.7Confident26 Ų2641 Ų4114%0.13621%0.214CC..Hα-helixtrans-64.1-40.9178.6-77.6177.8000112.2L94 T95 I100 D101 E102 Q106 V107 I108 V845L94-L104 HydrophobicContact CD1-CB 3.63Å; L94-L104 HydrophobicContact CD1-CD1 4.23Å; T95-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CD1 3.72Å; I100-L104 HydrophobicContact CG2-CG 4.13Å; I100-L104 WeakPolarHBondContact O-CG 3.35Å; I100-L104 PolarHBondContact O-N 3.32Å; I100-L104 VanDerWaalsContact O-N 3.1Å; D101-L104 PolarHBondContact O-N 3.19Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 2.95Å; L104-Q106 PolarHBondContact O-N 3.2Å; L104-V107 WeakPolarHBondContact O-CB 3.3Å; L104-V107 PolarHBondContact O-N 2.92Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.34Å; L104-V845 HydrophobicContact CD2-CG1 3.68Å; L104-V845 HydrophobicContact CD2-CG2 4.08Å; L104-V845 HydrophobicContact CG-CG1 3.96Å; L104-V845 HydrophobicContact CG-CG2 4.41Å
105Q91.6Very high89.7Confident21 Ų2143.6 Ų43.610%0.09822%0.224CC..Hα-helixtrans-63-33.8177.1-70.8-74.5-6.400112R92 L94 D101 E102 P103 Q109 Q138R92-Q105 PolarHBondContact O-NE2 3.09Å; L94-Q105 HydrophobicContact CD1-CG 4Å; D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 WeakPolarHBondContact O-CG 3.36Å; D101-Q105 PolarHBondContact O-N 2.67Å; E102-Q105 PolarHBondContact O-N 3.41Å; P103-Q105 PolarHBondContact O-N 3.18Å; Q105-Q109 WeakPolarHBondContact O-CB 3.21Å; Q105-Q109 PolarHBondContact O-N 3.11Å; Q105-Q138 VanDerWaalsContact NE2-NE2 3.11Å
106Q91.8Very high89.8Confident55 Ų5542.7 Ų42.726%0.25722%0.218SC..Hα-helixtrans-68.6-42.8173-68.1173.9-11.800111.6E102 P103 L104 I108 Q109 F110E102-Q106 PolarHBondContact O-N 3.01Å; P103-Q106 WeakPolarHBondContact O-CB 3.33Å; P103-Q106 PolarHBondContact O-N 2.98Å; L104-Q106 PolarHBondContact O-N 3.2Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 3.18Å; Q106-Q109 WeakPolarHBondContact O-CB 2.92Å; Q106-Q109 PolarHBondContact O-N 3.4Å; Q106-Q109 VanDerWaalsContact O-N 3.15Å; Q106-F110 HydrophobicContact CB-CE2 4.19Å; Q106-F110 HydrophobicContact CB-CZ 4.38Å; Q106-F110 WeakPolarHBondContact O-CD2 3.24Å; Q106-F110 VanDerWaalsContact O-CG 3.24Å; Q106-F110 WeakPolarHBondContact O-CG 3.35Å; Q106-F110 PolarHBondContact O-N 3.29Å
107V91.3Very high90.1Very high18 Ų1844.1 Ų44.111%0.10922%0.216CC..Hα-helixtrans-57.5-46.2174.2170.40000111.1P103 L104 Q109 F110 S111 V845 F848 R849 W853P103-V107 WeakPolarHBondContact O-CG2 3.46Å; P103-V107 PolarHBondContact O-N 3.18Å; L104-V107 WeakPolarHBondContact O-CB 3.3Å; L104-V107 PolarHBondContact O-N 2.92Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.18Å; V107-F110 PolarHBondContact O-N 2.82Å; V107-S111 VanDerWaalsContact O-CB 3.31Å; V107-S111 WeakPolarHBondContact O-CB 3.46Å; V107-S111 PolarHBondContact O-N 3.44Å; V107-S111 PolarHBondContact O-OG 2.92Å; V107-V845 HydrophobicContact CG2-CG1 4.37Å; V107-F848 HydrophobicContact CG1-CD1 4.46Å; V107-F848 HydrophobicContact CG1-CE1 3.88Å; V107-F848 HydrophobicContact CG2-CD1 4.11Å; V107-F848 HydrophobicContact CG2-CE1 4.3Å; V107-R849 HydrophobicContact CG2-CB 3.77Å; V107-R849 HydrophobicContact CG2-CG 4.1Å; V107-W853 HydrophobicContact CG1-CZ3 4.16Å
108I89.6Confident90Very high6 Ų652 Ų523%0.03124%0.242CC..Hα-helixtrans-60.7-45.7175.8-62.9168.4000110.4L94 L104 Q106 S111 L112 R134 L137 Q138 L141L94-I108 HydrophobicContact CD1-CD1 4.02Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.34Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 3.18Å; I108-S111 PolarHBondContact O-N 3.37Å; I108-L112 HydrophobicContact CG2-CD1 3.95Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.09Å; I108-R134 HydrophobicContact CG2-CG 4.05Å; I108-L137 HydrophobicContact CG2-CD1 4.48Å; I108-Q138 HydrophobicContact CD1-CG 3.74Å; I108-L141 HydrophobicContact CD1-CD1 3.47Å; I108-L141 VanDerWaalsContact CD1-CD1 3.47Å; I108-L141 HydrophobicContact CG1-CD1 3.67Å
109Q91.3Very high90Very high108 Ų10849.6 Ų49.651%0.50522%0.223SC..Hα-helixtrans-61.7-47.3-179.6-179.4176.9-600112.2Q105 Q106 V107 L112 R113Q105-Q109 WeakPolarHBondContact O-CB 3.21Å; Q105-Q109 PolarHBondContact O-N 3.11Å; Q106-Q109 WeakPolarHBondContact O-CB 2.92Å; Q106-Q109 PolarHBondContact O-N 3.4Å; Q106-Q109 VanDerWaalsContact O-N 3.15Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.18Å; Q109-L112 PolarHBondContact O-N 2.97Å; Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 PolarHBondContact O-N 3.38Å
110F91.5Very high89.9Confident28 Ų2847.1 Ų47.112%0.12321%0.209CC..Hα-helixtrans-67.6-38.4179.5-59.6-26.5000111.9Q106 V107 L112 R113 D114 R849 W853Q106-F110 HydrophobicContact CB-CE2 4.19Å; Q106-F110 HydrophobicContact CB-CZ 4.38Å; Q106-F110 WeakPolarHBondContact O-CD2 3.24Å; Q106-F110 VanDerWaalsContact O-CG 3.24Å; Q106-F110 WeakPolarHBondContact O-CG 3.35Å; Q106-F110 PolarHBondContact O-N 3.29Å; V107-F110 PolarHBondContact O-N 2.82Å; F110-L112 PolarHBondContact O-N 3.25Å; F110-R113 PolarHBondContact O-N 3.09Å; F110-D114 PolarHBondContact O-N 2.78Å; F110-R849 HydrophobicContact CD2-CG 4.17Å; F110-R849 HydrophobicContact CE2-CG 3.92Å; F110-W853 HydrophobicContact CB-CD2 3.54Å; F110-W853 VanDerWaalsContact CB-CE2 3.42Å; F110-W853 HydrophobicContact CB-CE3 4.16Å; F110-W853 HydrophobicContact CB-CG 3.71Å; F110-W853 HydrophobicContact CB-CZ2 3.94Å; F110-W853 HydrophobicContact CD2-CB 3.57Å; F110-W853 AromaticContact CD2-CD2 3.85Å; F110-W853 HydrophobicContact CD2-CD2 3.85Å; F110-W853 HydrophobicContact CD2-CE3 4.16Å; F110-W853 AromaticContact CD2-CG 3.58Å; F110-W853 HydrophobicContact CD2-CG 3.58Å; F110-W853 HydrophobicContact CE2-CB 3.99Å; F110-W853 HydrophobicContact CE2-CG 4.45Å; F110-W853 HydrophobicContact CG-CB 4.31Å; F110-W853 HydrophobicContact CG-CD2 4.14Å; F110-W853 AromaticContact CG-CG 3.92Å; F110-W853 HydrophobicContact CG-CG 3.92Å
111S88.3Confident89.8Confident10 Ų1050.8 Ų50.87%0.0722%0.222CC..Hα-helixtrans-60.1-46.6175-57.60000111.7V107 I108 Y115 W853V107-S111 VanDerWaalsContact O-CB 3.31Å; V107-S111 WeakPolarHBondContact O-CB 3.46Å; V107-S111 PolarHBondContact O-N 3.44Å; V107-S111 PolarHBondContact O-OG 2.92Å; I108-S111 PolarHBondContact O-N 3.37Å; S111-Y115 VanDerWaalsContact O-CB 3.31Å; S111-Y115 WeakPolarHBondContact O-CB 3.46Å; S111-Y115 WeakPolarHBondContact O-CD2 3.31Å; S111-Y115 PolarHBondContact O-N 2.78Å; S111-W853 VanDerWaalsContact OG-CH2 3.27Å; S111-W853 WeakPolarHBondContact OG-CH2 3.28Å
112L89.1Confident89.6Confident13 Ų1355.7 Ų55.77%0.06825%0.252CS..Hα-helixtrans-66.3-39.8177.4-69.5172.4000112.1I108 Q109 F110 V116 Q117 I133 R134 L137I108-L112 HydrophobicContact CG2-CD1 3.95Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.09Å; Q109-L112 PolarHBondContact O-N 2.97Å; F110-L112 PolarHBondContact O-N 3.25Å; L112-V116 HydrophobicContact CD2-CB 4.43Å; L112-V116 HydrophobicContact CD2-CG2 3.96Å; L112-V116 CarbonylContact O-C 3.55Å; L112-V116 WeakPolarHBondContact O-CA 3.46Å; L112-V116 VanDerWaalsContact O-CB 3.26Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 PolarHBondContact O-N 2.98Å; L112-Q117 PolarHBondContact O-N 3.11Å; L112-I133 HydrophobicContact CD2-CB 4.12Å; L112-I133 HydrophobicContact CD2-CG2 3.53Å; L112-R134 HydrophobicContact CD1-CB 3.62Å; L112-R134 HydrophobicContact CD1-CG 3.9Å; L112-L137 HydrophobicContact CD2-CD1 4.03Å; L112-L137 HydrophobicContact CG-CD1 4.41Å
113R90.9Very high89.3Confident82 Ų8255.6 Ų55.631%0.30926%0.256SS..Iπ-helixtrans-60.7-51.5178.5-175.5-167.666.5-161.5-7.4111.5Q109 F110 G856Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 PolarHBondContact O-N 3.38Å; F110-R113 PolarHBondContact O-N 3.09Å; R113-G856 PolarHBondContact NH1-O 3.24Å; R113-G856 PolarHBondContact NH2-O 3.06Å
114D87.8Confident89Confident48 Ų4857.6 Ų57.626%0.25727%0.27SS..Iπ-helixtrans-87.3-30.6-168-61.7-28.3000112.9F110 W853 L858F110-D114 PolarHBondContact O-N 2.78Å; D114-W853 PolarHBondContact OD2-NE1 2.9Å; D114-L858 HydrophobicContact CB-CB 4.49Å; D114-L858 HydrophobicContact CB-CD2 4.31Å
115Y86.6Confident88.5Confident64 Ų6463 Ų6325%0.25130%0.299SS..Iπ-helixtrans-101.8-14.4-178.6-61.1-71.1000114.5S111 W119 G257 W853S111-Y115 VanDerWaalsContact O-CB 3.31Å; S111-Y115 WeakPolarHBondContact O-CB 3.46Å; S111-Y115 WeakPolarHBondContact O-CD2 3.31Å; S111-Y115 PolarHBondContact O-N 2.78Å; Y115-W119 PolarHBondContact O-NE1 3.11Å; Y115-G257 PolarHBondContact OH-O 2.69Å; Y115-W853 AromaticContact CE2-CZ2 3.99Å; Y115-W853 HydrophobicContact CE2-CZ2 3.99Å
116V88.3Confident88Confident1 Ų165.6 Ų65.61%0.00631%0.313CS..Iπ-helixtrans-124-57.3-173.9-168.30000112.8L112 Y118 W119 Y120 F129 L130 I133 F249 I253L112-V116 HydrophobicContact CD2-CB 4.43Å; L112-V116 HydrophobicContact CD2-CG2 3.96Å; L112-V116 CarbonylContact O-C 3.55Å; L112-V116 WeakPolarHBondContact O-CA 3.46Å; L112-V116 VanDerWaalsContact O-CB 3.26Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 PolarHBondContact O-N 2.98Å; V116-Y118 VanDerWaalsContact C-N 3.31Å; V116-Y118 PolarHBondContact O-N 3.33Å; V116-W119 HydrophobicContact CG1-CZ2 3.82Å; V116-W119 PolarHBondContact O-N 3.37Å; V116-W119 PolarHBondContact O-NE1 3.1Å; V116-Y120 VanDerWaalsContact O-CB 3.22Å; V116-Y120 WeakPolarHBondContact O-CB 3.36Å; V116-Y120 PolarHBondContact O-N 3.37Å; V116-F129 HydrophobicContact CG1-CE1 4.05Å; V116-L130 HydrophobicContact CB-CD2 4.29Å; V116-L130 HydrophobicContact CG1-CD2 3.57Å; V116-I133 HydrophobicContact CG1-CD1 3.73Å; V116-F249 HydrophobicContact CG1-CE1 4.25Å; V116-F249 HydrophobicContact CG1-CZ 4.35Å; V116-F249 HydrophobicContact CG2-CE1 3.79Å; V116-F249 HydrophobicContact CG2-CZ 3.96Å; V116-I253 HydrophobicContact CG2-CD1 3.88Å
117Q90.1Very high87.6Confident62 Ų6268.6 Ų68.629%0.2933%0.327SS..Iπ-helixtrans-57.8-41.1-172.7-88.5-177.4-46.700113.1L112 W119 Y120 Y121 L130L112-Q117 PolarHBondContact O-N 3.11Å; Q117-W119 PolarHBondContact O-N 2.83Å; Q117-Y120 PolarHBondContact O-N 3.38Å; Q117-Y121 HydrophobicContact CB-CD2 3.96Å; Q117-Y121 HydrophobicContact CB-CE2 3.79Å; Q117-Y121 HydrophobicContact CG-CD2 4.15Å; Q117-Y121 HydrophobicContact CG-CE2 3.49Å; Q117-Y121 VanDerWaalsContact CG-CE2 3.49Å; Q117-Y121 VanDerWaalsContact NE2-CE2 3.34Å; Q117-Y121 PolarHBondContact NE2-OH 3.25Å; Q117-Y121 VanDerWaalsContact O-CD2 3.29Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.47Å; Q117-Y121 PolarHBondContact O-N 2.82Å; Q117-Y121 VanDerWaalsContact O-N 3.07Å; Q117-L130 HydrophobicContact CG-CD1 3.72Å; Q117-L130 HydrophobicContact CG-CD2 4.15Å
118Y85.6Confident87.1Confident192 Ų19268.9 Ų68.975%0.75333%0.33SS*.Hα-helixtrans-54.3-48-175.3172.8-100.2000113.3V116V116-Y118 VanDerWaalsContact C-N 3.31Å; V116-Y118 PolarHBondContact O-N 3.33Å
119W87.3Confident86.8Confident82 Ų8271.2 Ų71.231%0.31134%0.34SS..Hα-helixtrans-89-30.8179.363.5-96.3000111.7Y115 V116 Q117 Y121 T122 L123 F129 F249Y115-W119 PolarHBondContact O-NE1 3.11Å; V116-W119 HydrophobicContact CG1-CZ2 3.82Å; V116-W119 PolarHBondContact O-N 3.37Å; V116-W119 PolarHBondContact O-NE1 3.1Å; Q117-W119 PolarHBondContact O-N 2.83Å; W119-Y121 PolarHBondContact O-N 3.28Å; W119-T122 WeakPolarHBondContact O-CB 3.44Å; W119-T122 PolarHBondContact O-N 3.48Å; W119-T122 VanDerWaalsContact O-N 3.1Å; W119-T122 PolarHBondContact O-OG1 2.91Å; W119-L123 HydrophobicContact CE3-CD1 3.75Å; W119-L123 HydrophobicContact CZ3-CD1 3.72Å; W119-F129 AromaticContact CH2-CE1 3.79Å; W119-F129 HydrophobicContact CH2-CE1 3.79Å; W119-F129 HydrophobicContact CH2-CZ 4Å; W119-F129 HydrophobicContact CZ2-CE1 4.36Å; W119-F249 AromaticContact CE2-CZ 3.97Å; W119-F249 HydrophobicContact CH2-CE2 4.12Å; W119-F249 HydrophobicContact CH2-CZ 4.21Å; W119-F249 HydrophobicContact CZ2-CD2 4.46Å; W119-F249 HydrophobicContact CZ2-CE1 4.15Å; W119-F249 AromaticContact CZ2-CE2 3.43Å; W119-F249 HydrophobicContact CZ2-CE2 3.43Å; W119-F249 VanDerWaalsContact CZ2-CE2 3.43Å; W119-F249 AromaticContact CZ2-CZ 3.27Å; W119-F249 HydrophobicContact CZ2-CZ 3.27Å
120Y87.4Confident86.5Confident18 Ų1866.9 Ų66.97%0.07132%0.32CS..Hα-helixtrans-64.8-41.7-177.4177.3-106000112.6V116 Q117 T122 L123 S124 D126 F129 L130V116-Y120 VanDerWaalsContact O-CB 3.22Å; V116-Y120 WeakPolarHBondContact O-CB 3.36Å; V116-Y120 PolarHBondContact O-N 3.37Å; Q117-Y120 PolarHBondContact O-N 3.38Å; Y120-T122 PolarHBondContact O-N 3.49Å; Y120-T122 VanDerWaalsContact O-N 3.12Å; Y120-L123 WeakPolarHBondContact O-CA 3.46Å; Y120-L123 WeakPolarHBondContact O-CB 3.33Å; Y120-L123 PolarHBondContact O-N 3.43Å; Y120-S124 WeakPolarHBondContact CE1-O 3.3Å; Y120-S124 PolarHBondContact O-N 3.12Å; Y120-S124 PolarHBondContact OH-OG 3.38Å; Y120-D126 WeakPolarHBondContact CE1-O 3.46Å; Y120-D126 VanDerWaalsContact CZ-O 3.24Å; Y120-D126 PolarHBondContact OH-O 3.14Å; Y120-F129 HydrophobicContact CD1-CD1 4.22Å; Y120-F129 AromaticContact CD2-CD1 3.31Å; Y120-F129 HydrophobicContact CD2-CD1 3.31Å; Y120-F129 AromaticContact CD2-CE1 3.55Å; Y120-F129 HydrophobicContact CD2-CE1 3.55Å; Y120-F129 HydrophobicContact CD2-CG 4.23Å; Y120-F129 HydrophobicContact CE1-CB 4.37Å; Y120-F129 HydrophobicContact CE1-CD1 4.16Å; Y120-F129 HydrophobicContact CE2-CB 3.85Å; Y120-F129 AromaticContact CE2-CD1 3.25Å; Y120-F129 HydrophobicContact CE2-CD1 3.25Å; Y120-F129 AromaticContact CE2-CE1 3.91Å; Y120-F129 HydrophobicContact CE2-CE1 3.91Å; Y120-F129 AromaticContact CE2-CG 3.72Å; Y120-F129 HydrophobicContact CE2-CG 3.72Å; Y120-F129 AromaticContact CG-CD1 3.81Å; Y120-F129 HydrophobicContact CG-CD1 3.81Å; Y120-F129 HydrophobicContact CG-CE1 4.1Å; Y120-F129 AromaticContact CZ-CD1 3.7Å; Y120-F129 WeakPolarHBondContact OH-CB 3.36Å; Y120-L130 HydrophobicContact CD1-CD1 4.06Å; Y120-L130 HydrophobicContact CD1-CD2 3.9Å; Y120-L130 HydrophobicContact CD1-CG 3.84Å; Y120-L130 HydrophobicContact CE1-CD1 4.33Å; Y120-L130 HydrophobicContact CE1-CG 4.02Å; Y120-L130 HydrophobicContact CG-CD2 4.31Å
121Y89.1Confident86.3Confident94 Ų9468.2 Ų68.237%0.36933%0.328SS..THydrogen-bonded Turntrans-68.2-9.2176.4-71-49000114Q117 W119 L123 L130Q117-Y121 HydrophobicContact CB-CD2 3.96Å; Q117-Y121 HydrophobicContact CB-CE2 3.79Å; Q117-Y121 HydrophobicContact CG-CD2 4.15Å; Q117-Y121 HydrophobicContact CG-CE2 3.49Å; Q117-Y121 VanDerWaalsContact CG-CE2 3.49Å; Q117-Y121 VanDerWaalsContact NE2-CE2 3.34Å; Q117-Y121 PolarHBondContact NE2-OH 3.25Å; Q117-Y121 VanDerWaalsContact O-CD2 3.29Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.47Å; Q117-Y121 PolarHBondContact O-N 2.82Å; Q117-Y121 VanDerWaalsContact O-N 3.07Å; W119-Y121 PolarHBondContact O-N 3.28Å; Y121-L123 VanDerWaalsContact C-N 3.29Å; Y121-L130 HydrophobicContact CE1-CD1 4.12Å; Y121-L130 HydrophobicContact CE2-CD1 4.44Å; Y121-L130 WeakPolarHBondContact OH-CD1 3.24Å
122T88.8Confident86.1Confident108 Ų10872.2 Ų72.266%0.66335%0.346SS*.THydrogen-bonded Turntrans-79.4-16.3167.573.90000112.7W119 Y120W119-T122 WeakPolarHBondContact O-CB 3.44Å; W119-T122 PolarHBondContact O-N 3.48Å; W119-T122 VanDerWaalsContact O-N 3.1Å; W119-T122 PolarHBondContact O-OG1 2.91Å; Y120-T122 PolarHBondContact O-N 3.49Å; Y120-T122 VanDerWaalsContact O-N 3.12Å
123L86Confident85.9Confident129 Ų12971.6 Ų71.668%0.67534%0.343SS*.THydrogen-bonded Turntrans-107-40.2-176.3-58.6175.9000112.8W119 Y120 Y121W119-L123 HydrophobicContact CE3-CD1 3.75Å; W119-L123 HydrophobicContact CZ3-CD1 3.72Å; Y120-L123 WeakPolarHBondContact O-CA 3.46Å; Y120-L123 WeakPolarHBondContact O-CB 3.33Å; Y120-L123 PolarHBondContact O-N 3.43Å; Y121-L123 VanDerWaalsContact C-N 3.29Å
124S84.9Confident85.8Confident45 Ų4569.7 Ų69.732%0.31534%0.336SS..  trans-157.7146.2-174.2-178.10000112.1Y120 D126Y120-S124 WeakPolarHBondContact CE1-O 3.3Å; Y120-S124 PolarHBondContact O-N 3.12Å; Y120-S124 PolarHBondContact OH-OG 3.38Å; S124-D126 WeakPolarHBondContact OG-CB 3.4Å; S124-D126 PolarHBondContact OG-N 3.16Å; S124-D126 VanDerWaalsContact OG-N 3.13Å
125D80.2Confident85.7Confident139 Ų13970.8 Ų70.874%0.74334%0.339SS*.  trans-91.5-0.2172.1-63.4-39.5000112.8E127D125-E127 PolarHBondContact O-N 3.28Å
126D82.5Confident85.6Confident75 Ų7568.1 Ų68.140%0.40133%0.33SS..  trans-69.3115.4-179171.246.1000111.9Y120 S124 S128Y120-D126 WeakPolarHBondContact CE1-O 3.46Å; Y120-D126 VanDerWaalsContact CZ-O 3.24Å; Y120-D126 PolarHBondContact OH-O 3.14Å; S124-D126 WeakPolarHBondContact OG-CB 3.4Å; S124-D126 PolarHBondContact OG-N 3.16Å; S124-D126 VanDerWaalsContact OG-N 3.13Å; D126-S128 PolarHBondContact O-N 3.31Å; D126-S128 VanDerWaalsContact OD1-CB 3.28Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 2.68Å; D126-S128 VanDerWaalsContact OD1-N 3.13Å; D126-S128 PolarHBondContact OD1-OG 3.26Å; D126-S128 VanDerWaalsContact OD2-CB 3.28Å; D126-S128 WeakPolarHBondContact OD2-CB 3.26Å
127E82.2Confident85.4Confident119 Ų11969.3 Ų69.356%0.55634%0.336SS*.Hα-helixtrans-72.6-15.1179.1-62.8-169161.800113.3D125 F129 L130 L131D125-E127 PolarHBondContact O-N 3.28Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.04Å; E127-L130 PolarHBondContact O-N 3.45Å; E127-L130 VanDerWaalsContact O-N 3.11Å; E127-L131 HydrophobicContact CB-CD1 4.47Å; E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 2.87Å
128S82Confident85.3Confident24 Ų2466.6 Ų66.617%0.16832%0.323CS..Hα-helixtrans-58.2-43-175-47.70000111.9D126 L130 L131 E132D126-S128 PolarHBondContact O-N 3.31Å; D126-S128 VanDerWaalsContact OD1-CB 3.28Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 2.68Å; D126-S128 VanDerWaalsContact OD1-N 3.13Å; D126-S128 PolarHBondContact OD1-OG 3.26Å; D126-S128 VanDerWaalsContact OD2-CB 3.28Å; D126-S128 WeakPolarHBondContact OD2-CB 3.26Å; S128-L130 PolarHBondContact O-N 3.12Å; S128-L131 PolarHBondContact O-N 3.43Å; S128-E132 WeakPolarHBondContact O-CG 3.46Å; S128-E132 PolarHBondContact O-N 3.35Å
129F82.8Confident85.3Confident54 Ų5459.7 Ų59.724%0.23730%0.299CS..Hα-helixtrans-59.2-45175.8176.3-109.7000113.2V116 W119 Y120 E127 L131 E132 I133V116-F129 HydrophobicContact CG1-CE1 4.05Å; W119-F129 AromaticContact CH2-CE1 3.79Å; W119-F129 HydrophobicContact CH2-CE1 3.79Å; W119-F129 HydrophobicContact CH2-CZ 4Å; W119-F129 HydrophobicContact CZ2-CE1 4.36Å; Y120-F129 HydrophobicContact CD1-CD1 4.22Å; Y120-F129 AromaticContact CD2-CD1 3.31Å; Y120-F129 HydrophobicContact CD2-CD1 3.31Å; Y120-F129 AromaticContact CD2-CE1 3.55Å; Y120-F129 HydrophobicContact CD2-CE1 3.55Å; Y120-F129 HydrophobicContact CD2-CG 4.23Å; Y120-F129 HydrophobicContact CE1-CB 4.37Å; Y120-F129 HydrophobicContact CE1-CD1 4.16Å; Y120-F129 HydrophobicContact CE2-CB 3.85Å; Y120-F129 AromaticContact CE2-CD1 3.25Å; Y120-F129 HydrophobicContact CE2-CD1 3.25Å; Y120-F129 AromaticContact CE2-CE1 3.91Å; Y120-F129 HydrophobicContact CE2-CE1 3.91Å; Y120-F129 AromaticContact CE2-CG 3.72Å; Y120-F129 HydrophobicContact CE2-CG 3.72Å; Y120-F129 AromaticContact CG-CD1 3.81Å; Y120-F129 HydrophobicContact CG-CD1 3.81Å; Y120-F129 HydrophobicContact CG-CE1 4.1Å; Y120-F129 AromaticContact CZ-CD1 3.7Å; Y120-F129 WeakPolarHBondContact OH-CB 3.36Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.04Å; F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 PolarHBondContact O-N 3.22Å; F129-E132 PolarHBondContact O-N 2.98Å; F129-I133 HydrophobicContact CD1-CD1 3.88Å; F129-I133 HydrophobicContact CD2-CD1 4.33Å; F129-I133 HydrophobicContact CE1-CD1 3.32Å; F129-I133 HydrophobicContact CE1-CG1 4.44Å; F129-I133 HydrophobicContact CE2-CD1 3.81Å; F129-I133 HydrophobicContact CE2-CG1 4.23Å; F129-I133 HydrophobicContact CG-CD1 4.38Å; F129-I133 HydrophobicContact CZ-CD1 3.3Å; F129-I133 HydrophobicContact CZ-CG1 4.2Å; F129-I133 WeakPolarHBondContact O-CG1 3.4Å; F129-I133 PolarHBondContact O-N 2.89Å
130L85.6Confident85.3Confident17 Ų1756.4 Ų56.49%0.08929%0.289CS..Hα-helixtrans-66.2-38.3179.2-64.4176.3000111.3V116 Q117 Y120 Y121 E127 S128 R134V116-L130 HydrophobicContact CB-CD2 4.29Å; V116-L130 HydrophobicContact CG1-CD2 3.57Å; Q117-L130 HydrophobicContact CG-CD1 3.72Å; Q117-L130 HydrophobicContact CG-CD2 4.15Å; Y120-L130 HydrophobicContact CD1-CD1 4.06Å; Y120-L130 HydrophobicContact CD1-CD2 3.9Å; Y120-L130 HydrophobicContact CD1-CG 3.84Å; Y120-L130 HydrophobicContact CE1-CD1 4.33Å; Y120-L130 HydrophobicContact CE1-CG 4.02Å; Y120-L130 HydrophobicContact CG-CD2 4.31Å; Y121-L130 HydrophobicContact CE1-CD1 4.12Å; Y121-L130 HydrophobicContact CE2-CD1 4.44Å; Y121-L130 WeakPolarHBondContact OH-CD1 3.24Å; E127-L130 PolarHBondContact O-N 3.45Å; E127-L130 VanDerWaalsContact O-N 3.11Å; S128-L130 PolarHBondContact O-N 3.12Å; L130-R134 VanDerWaalsContact O-CB 3.29Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.09Å
131L86.3Confident85.3Confident56 Ų5657.9 Ų57.929%0.29330%0.298SS..Hα-helixtrans-67.3-39175.9-66.6171.3000111.7I88 I90 E127 S128 F129 R134 Q135I88-L131 HydrophobicContact CB-CB 4.4Å; I88-L131 HydrophobicContact CD1-CB 3.62Å; I90-L131 HydrophobicContact CD1-CD2 3.56Å; E127-L131 HydrophobicContact CB-CD1 4.47Å; E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 2.87Å; S128-L131 PolarHBondContact O-N 3.43Å; F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 PolarHBondContact O-N 3.22Å; L131-R134 PolarHBondContact O-N 3.49Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 PolarHBondContact O-N 3.43Å
132E84.6Confident85.3Confident94 Ų9455.6 Ų55.644%0.43929%0.292SS..Hα-helixtrans-65.1-48.6175.2-75.8-175.7-172.800111.7I88 S128 F129 R134 Q135 T136 M246I88-E132 HydrophobicContact CD1-CG 3.76Å; S128-E132 WeakPolarHBondContact O-CG 3.46Å; S128-E132 PolarHBondContact O-N 3.35Å; F129-E132 PolarHBondContact O-N 2.98Å; E132-R134 VanDerWaalsContact C-N 3.27Å; E132-R134 PolarHBondContact O-N 3.22Å; E132-Q135 PolarHBondContact O-N 3.38Å; E132-T136 PolarHBondContact O-N 3.05Å; E132-T136 PolarHBondContact O-OG1 2.89Å; E132-T136 VanDerWaalsContact O-OG1 3.06Å; E132-M246 HydrophobicContact CB-CE 4.25Å
133I85Confident85.4Confident0 Ų054.6 Ų54.60%028%0.28CS..Hα-helixtrans-58.1-44.4174.7-63.7171000110.1L112 V116 F129 Q135 T136 L137 M246 F249L112-I133 HydrophobicContact CD2-CB 4.12Å; L112-I133 HydrophobicContact CD2-CG2 3.53Å; V116-I133 HydrophobicContact CG1-CD1 3.73Å; F129-I133 HydrophobicContact CD1-CD1 3.88Å; F129-I133 HydrophobicContact CD2-CD1 4.33Å; F129-I133 HydrophobicContact CE1-CD1 3.32Å; F129-I133 HydrophobicContact CE1-CG1 4.44Å; F129-I133 HydrophobicContact CE2-CD1 3.81Å; F129-I133 HydrophobicContact CE2-CG1 4.23Å; F129-I133 HydrophobicContact CG-CD1 4.38Å; F129-I133 HydrophobicContact CZ-CD1 3.3Å; F129-I133 HydrophobicContact CZ-CG1 4.2Å; F129-I133 WeakPolarHBondContact O-CG1 3.4Å; F129-I133 PolarHBondContact O-N 2.89Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 3.07Å; I133-T136 PolarHBondContact O-N 3.21Å; I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 HydrophobicContact CG2-CG 4.31Å; I133-L137 WeakPolarHBondContact O-CG 3.3Å; I133-L137 PolarHBondContact O-N 2.81Å; I133-M246 HydrophobicContact CB-SD 4.43Å; I133-M246 HydrophobicContact CG1-CE 3.68Å; I133-M246 HydrophobicContact CG1-SD 3.66Å; I133-F249 HydrophobicContact CD1-CD1 4.1Å; I133-F249 HydrophobicContact CD1-CE1 3.88Å
134R88Confident85.5Confident43 Ų4353.6 Ų53.616%0.16227%0.27CS..Hα-helixtrans-58.5-46.7178.1-174.9166.5-175.9106.68111.4I90 I108 L112 L130 L131 E132 L137 Q138I90-R134 HydrophobicContact CD1-CG 4.24Å; I108-R134 HydrophobicContact CG2-CG 4.05Å; L112-R134 HydrophobicContact CD1-CB 3.62Å; L112-R134 HydrophobicContact CD1-CG 3.9Å; L130-R134 VanDerWaalsContact O-CB 3.29Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.09Å; L131-R134 PolarHBondContact O-N 3.49Å; E132-R134 VanDerWaalsContact C-N 3.27Å; E132-R134 PolarHBondContact O-N 3.22Å; R134-L137 PolarHBondContact O-N 3.22Å; R134-Q138 WeakPolarHBondContact O-CB 3.3Å; R134-Q138 WeakPolarHBondContact O-CG 3.28Å; R134-Q138 PolarHBondContact O-N 3.43Å
135Q85.9Confident85.8Confident71 Ų7152 Ų5233%0.33226%0.259SS..Hα-helixtrans-63.2-42.8178.4-173.2176.415.400111.4I88 L131 E132 I133 Q138 N139I88-Q135 HydrophobicContact CG2-CB 4.29Å; I88-Q135 VanDerWaalsContact CG2-OE1 3.31Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 PolarHBondContact O-N 3.43Å; E132-Q135 PolarHBondContact O-N 3.38Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 3.07Å; Q135-Q138 PolarHBondContact O-N 3.38Å; Q135-N139 WeakPolarHBondContact O-CB 3.31Å; Q135-N139 PolarHBondContact O-N 2.99Å; Q135-N139 PolarHBondContact O-ND2 3.1Å
136T84.6Confident86.2Confident8 Ų848.1 Ų48.15%0.04924%0.241CC..Hα-helixtrans-60.3-45.4175.8-59.50000111.7E132 I133 N139 A140 L236 M246E132-T136 PolarHBondContact O-N 3.05Å; E132-T136 PolarHBondContact O-OG1 2.89Å; E132-T136 VanDerWaalsContact O-OG1 3.06Å; I133-T136 PolarHBondContact O-N 3.21Å; T136-N139 PolarHBondContact O-N 3.35Å; T136-A140 WeakPolarHBondContact O-CB 3.36Å; T136-A140 PolarHBondContact O-N 3.43Å; T136-L236 HydrophobicContact CG2-CD1 4.21Å; T136-L236 HydrophobicContact CG2-CD2 3.52Å; T136-M246 HydrophobicContact CG2-CG 4.27Å
137L85.3Confident86.5Confident26 Ų2649.8 Ų49.814%0.13624%0.242CC..Hα-helixtrans-63.7-41.5176-72.1174.3000112.3I108 L112 I133 R134 A140 L141 V250I108-L137 HydrophobicContact CG2-CD1 4.48Å; L112-L137 HydrophobicContact CD2-CD1 4.03Å; L112-L137 HydrophobicContact CG-CD1 4.41Å; I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 HydrophobicContact CG2-CG 4.31Å; I133-L137 WeakPolarHBondContact O-CG 3.3Å; I133-L137 PolarHBondContact O-N 2.81Å; R134-L137 PolarHBondContact O-N 3.22Å; L137-A140 PolarHBondContact O-N 3.12Å; L137-L141 WeakPolarHBondContact O-CB 3.36Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.09Å; L137-V250 HydrophobicContact CD2-CG1 4.04Å
138Q87.7Confident86.7Confident5 Ų545.1 Ų45.12%0.02322%0.222CC..Hα-helixtrans-64.9-44.2176-74.6-174.4-23.100111.9D91 L94 Q105 I108 R134 Q135 A140 L141 I142D91-Q138 PolarHBondContact O-NE2 3.39Å; D91-Q138 PolarHBondContact O-OE1 3.42Å; L94-Q138 HydrophobicContact CD2-CB 3.93Å; L94-Q138 HydrophobicContact CD2-CG 3.78Å; Q105-Q138 VanDerWaalsContact NE2-NE2 3.11Å; I108-Q138 HydrophobicContact CD1-CG 3.74Å; R134-Q138 WeakPolarHBondContact O-CB 3.3Å; R134-Q138 WeakPolarHBondContact O-CG 3.28Å; R134-Q138 PolarHBondContact O-N 3.43Å; Q135-Q138 PolarHBondContact O-N 3.38Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.48Å; Q138-L141 PolarHBondContact O-N 2.89Å; Q138-I142 WeakPolarHBondContact O-CB 3.33Å; Q138-I142 WeakPolarHBondContact O-CD1 3.02Å; Q138-I142 WeakPolarHBondContact O-CG1 3.45Å; Q138-I142 PolarHBondContact O-N 3.3Å
139N85.3Confident86.9Confident46 Ų4650.8 Ų50.825%0.24624%0.244CC..Hα-helixtrans-58.4-45.7175.5-72.5-17.9000110.7Q135 T136 L141 I142 Q143Q135-N139 WeakPolarHBondContact O-CB 3.31Å; Q135-N139 PolarHBondContact O-N 2.99Å; Q135-N139 PolarHBondContact O-ND2 3.1Å; T136-N139 PolarHBondContact O-N 3.35Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.31Å; N139-I142 PolarHBondContact O-N 3.1Å; N139-Q143 WeakPolarHBondContact O-CG 3.35Å; N139-Q143 PolarHBondContact O-N 3.45Å
140A86.2Confident87.1Confident13 Ų1355.2 Ų55.211%0.10727%0.265CS..Hα-helixtrans-59-44.6175.500000111.9T136 L137 Q138 Q143 F144 L235 L236T136-A140 WeakPolarHBondContact O-CB 3.36Å; T136-A140 PolarHBondContact O-N 3.43Å; L137-A140 PolarHBondContact O-N 3.12Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.48Å; A140-Q143 PolarHBondContact O-N 2.96Å; A140-F144 VanDerWaalsContact O-CB 3.29Å; A140-F144 WeakPolarHBondContact O-CB 3.19Å; A140-F144 PolarHBondContact O-N 2.99Å; A140-L235 HydrophobicContact CB-CB 4.16Å; A140-L236 HydrophobicContact CB-CD2 3.91Å
141L88.6Confident87.2Confident50 Ų5058.2 Ų58.226%0.26228%0.28SS..Hα-helixtrans-67.6-37.6178.1-77.2168.1000113.1I108 L137 Q138 N139 F144 A145I108-L141 HydrophobicContact CD1-CD1 3.47Å; I108-L141 VanDerWaalsContact CD1-CD1 3.47Å; I108-L141 HydrophobicContact CG1-CD1 3.67Å; L137-L141 WeakPolarHBondContact O-CB 3.36Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.09Å; Q138-L141 PolarHBondContact O-N 2.89Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.31Å; L141-F144 PolarHBondContact O-N 2.98Å; L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.39Å; L141-A145 PolarHBondContact O-N 3.19Å
142I89.8Confident87.2Confident46 Ų4660.4 Ų60.424%0.23629%0.293CS..Hα-helixtrans-64.6-45.7175.4-70.5161.6000109.8L94 Q138 N139 A145 T146L94-I142 HydrophobicContact CD2-CD1 4.34Å; L94-I142 HydrophobicContact CD2-CG1 4.13Å; Q138-I142 WeakPolarHBondContact O-CB 3.33Å; Q138-I142 WeakPolarHBondContact O-CD1 3.02Å; Q138-I142 WeakPolarHBondContact O-CG1 3.45Å; Q138-I142 PolarHBondContact O-N 3.3Å; N139-I142 PolarHBondContact O-N 3.1Å; I142-A145 PolarHBondContact O-N 2.9Å; I142-T146 WeakPolarHBondContact O-CB 3.47Å; I142-T146 PolarHBondContact O-N 3.25Å; I142-T146 PolarHBondContact O-OG1 3.34Å
143Q89.3Confident87.2Confident86 Ų8659.6 Ų59.640%0.40229%0.285SS..Hα-helixtrans-64.6-41.6176.3-69.3-59.9-2500111.5N139 A140 T146 R147 L235N139-Q143 WeakPolarHBondContact O-CG 3.35Å; N139-Q143 PolarHBondContact O-N 3.45Å; A140-Q143 PolarHBondContact O-N 2.96Å; Q143-T146 PolarHBondContact O-N 3.28Å; Q143-R147 WeakPolarHBondContact O-CG 3.37Å; Q143-R147 PolarHBondContact O-N 3.34Å; Q143-L235 HydrophobicContact CB-CD2 4.25Å; Q143-L235 WeakPolarHBondContact CB-O 3.5Å; Q143-L235 WeakPolarHBondContact CG-O 3.24Å
144F89.8Confident87Confident108 Ų10862.6 Ų62.647%0.47430%0.299SS..Hα-helixtrans-60.8-47.4174.7179.1-96.2000111.4A140 L141 T146 R147 S148 L235A140-F144 VanDerWaalsContact O-CB 3.29Å; A140-F144 WeakPolarHBondContact O-CB 3.19Å; A140-F144 PolarHBondContact O-N 2.99Å; L141-F144 PolarHBondContact O-N 2.98Å; F144-T146 VanDerWaalsContact C-N 3.3Å; F144-T146 PolarHBondContact O-N 3.15Å; F144-R147 PolarHBondContact O-N 2.75Å; F144-S148 WeakPolarHBondContact CE1-OG 3.45Å; F144-S148 VanDerWaalsContact O-CB 3.24Å; F144-S148 WeakPolarHBondContact O-CB 3.26Å; F144-S148 PolarHBondContact O-N 3.01Å; F144-S148 PolarHBondContact O-OG 3.15Å; F144-L235 HydrophobicContact CB-CD1 4.38Å; F144-L235 HydrophobicContact CB-CD2 3.77Å; F144-L235 HydrophobicContact CD2-CD1 4.46Å; F144-L235 HydrophobicContact CD2-CD2 4.34Å
145A89.4Confident86.7Confident11 Ų1162.8 Ų62.89%0.09131%0.306CS..Hα-helixtrans-64.3-35.1178.500000112.2T95 L141 I142 K149T95-A145 HydrophobicContact CG2-CB 3.86Å; L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.39Å; L141-A145 PolarHBondContact O-N 3.19Å; I142-A145 PolarHBondContact O-N 2.9Å; A145-K149 VanDerWaalsContact O-CG 3.32Å; A145-K149 WeakPolarHBondContact O-CG 3.42Å; A145-K149 PolarHBondContact O-N 3.5Å
146T89Confident86.6Confident58 Ų5863.9 Ų63.936%0.35631%0.308SS..Hα-helixtrans-67.6-51.9177-57.80000110.3I142 Q143 F144 S148 K149 E150I142-T146 WeakPolarHBondContact O-CB 3.47Å; I142-T146 PolarHBondContact O-N 3.25Å; I142-T146 PolarHBondContact O-OG1 3.34Å; Q143-T146 PolarHBondContact O-N 3.28Å; F144-T146 VanDerWaalsContact C-N 3.3Å; F144-T146 PolarHBondContact O-N 3.15Å; T146-S148 VanDerWaalsContact C-N 3.29Å; T146-S148 PolarHBondContact O-N 3.44Å; T146-K149 WeakPolarHBondContact O-CB 3.5Å; T146-K149 PolarHBondContact O-N 3.47Å; T146-K149 VanDerWaalsContact O-N 3.11Å; T146-E150 PolarHBondContact O-N 3.31Å
147R88.6Confident86.4Confident111 Ų11166.8 Ų66.842%0.41932%0.32SS..Hα-helixtrans-61.8-36.3176.2-70.1177.4175.4-88.57.6112.5Q143 F144 K149 E150 I151 L234Q143-R147 WeakPolarHBondContact O-CG 3.37Å; Q143-R147 PolarHBondContact O-N 3.34Å; F144-R147 PolarHBondContact O-N 2.75Å; R147-K149 PolarHBondContact O-N 3.03Å; R147-E150 WeakPolarHBondContact O-CB 3.27Å; R147-E150 PolarHBondContact O-N 3.46Å; R147-I151 PolarHBondContact O-N 3.33Å; R147-L234 PolarHBondContact NE-O 3.44Å; R147-L234 PolarHBondContact NH2-O 2.93Å
148S87.6Confident85.7Confident20 Ų2066 Ų6614%0.1432%0.316CS..Hα-helixtrans-62.8-27.3176.7-64.20000113.1F144 T146 E150 W153F144-S148 WeakPolarHBondContact CE1-OG 3.45Å; F144-S148 VanDerWaalsContact O-CB 3.24Å; F144-S148 WeakPolarHBondContact O-CB 3.26Å; F144-S148 PolarHBondContact O-N 3.01Å; F144-S148 PolarHBondContact O-OG 3.15Å; T146-S148 VanDerWaalsContact C-N 3.29Å; T146-S148 PolarHBondContact O-N 3.44Å; S148-E150 VanDerWaalsContact C-N 3.35Å; S148-W153 PolarHBondContact O-NE1 3.47Å
149K86Confident85.1Confident144 Ų14466.9 Ų66.963%0.62632%0.322SS*.Hα-helixtrans-78.5-20.3174.4-68.4167-176.2177.70113T95 A145 T146 R147 I151T95-K149 PolarHBondContact O-NZ 2.88Å; A145-K149 VanDerWaalsContact O-CG 3.32Å; A145-K149 WeakPolarHBondContact O-CG 3.42Å; A145-K149 PolarHBondContact O-N 3.5Å; T146-K149 WeakPolarHBondContact O-CB 3.5Å; T146-K149 PolarHBondContact O-N 3.47Å; T146-K149 VanDerWaalsContact O-N 3.11Å; R147-K149 PolarHBondContact O-N 3.03Å; K149-I151 VanDerWaalsContact C-N 3.35Å
150E87.1Confident84.9Confident146 Ų14671.5 Ų71.568%0.68234%0.336SS*.Hα-helixtrans-83.7-15.8176.6-61.8173.1174.700111.9T146 R147 S148T146-E150 PolarHBondContact O-N 3.31Å; R147-E150 WeakPolarHBondContact O-CB 3.27Å; R147-E150 PolarHBondContact O-N 3.46Å; S148-E150 VanDerWaalsContact C-N 3.35Å
151I87.4Confident84.6Confident80 Ų8073.9 Ų73.941%0.4135%0.346SS..SBendtrans-78.1128.9178.3-68.8167.5000109.9R147 K149 W153R147-I151 PolarHBondContact O-N 3.33Å; K149-I151 VanDerWaalsContact C-N 3.35Å; I151-W153 HydrophobicContact CB-CZ2 4.36Å; I151-W153 HydrophobicContact CD1-CZ2 4.41Å; I151-W153 HydrophobicContact CG2-CD2 4.03Å; I151-W153 HydrophobicContact CG2-CE3 4.3Å; I151-W153 HydrophobicContact CG2-CG 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.29Å; I151-W153 VanDerWaalsContact O-CD1 3.3Å; I151-W153 PolarHBondContact O-N 2.98Å
152D85.2Confident84.1Confident103 Ų10372.9 Ų72.955%0.55134%0.342SS*.  trans-77.8101.2166.1-170.3-2000109.8Q154 P155D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3.14Å; D152-Q154 PolarHBondContact OD1-N 3.43Å; D152-P155 HydrophobicContact CB-CG 3.92Å; D152-P155 WeakPolarHBondContact O-CD 3.41Å; D152-P155 WeakPolarHBondContact O-CG 3.47Å; D152-P155 WeakPolarHBondContact OD1-CD 3.38Å; D152-P155 VanDerWaalsContact OD2-CD 3.31Å; D152-P155 WeakPolarHBondContact OD2-CD 3.26Å
153W85.8Confident83.4Confident76 Ų7671.1 Ų71.129%0.28833%0.333SS..Hα-helixtrans-72.4-21.4-176.9-67.7100.4000113.1S148 I151 Y156 F157 V832 T836S148-W153 PolarHBondContact O-NE1 3.47Å; I151-W153 HydrophobicContact CB-CZ2 4.36Å; I151-W153 HydrophobicContact CD1-CZ2 4.41Å; I151-W153 HydrophobicContact CG2-CD2 4.03Å; I151-W153 HydrophobicContact CG2-CE3 4.3Å; I151-W153 HydrophobicContact CG2-CG 4.41Å; I151-W153 HydrophobicContact CG2-CZ2 4.29Å; I151-W153 VanDerWaalsContact O-CD1 3.3Å; I151-W153 PolarHBondContact O-N 2.98Å; W153-Y156 AromaticContact CE3-CD1 3.77Å; W153-Y156 HydrophobicContact CE3-CD1 3.77Å; W153-Y156 HydrophobicContact CE3-CE1 4.32Å; W153-Y156 HydrophobicContact CE3-CG 4.34Å; W153-Y156 AromaticContact CZ3-CD1 3.87Å; W153-Y156 HydrophobicContact CZ3-CD1 3.87Å; W153-Y156 AromaticContact CZ3-CE1 3.96Å; W153-Y156 HydrophobicContact CZ3-CE1 3.96Å; W153-Y156 PolarHBondContact O-N 2.71Å; W153-F157 HydrophobicContact CB-CD2 4.17Å; W153-F157 HydrophobicContact CB-CE2 4.24Å; W153-F157 HydrophobicContact CD2-CE2 4.26Å; W153-F157 HydrophobicContact CE3-CD2 4.27Å; W153-F157 AromaticContact CE3-CE2 3.56Å; W153-F157 HydrophobicContact CE3-CE2 3.56Å; W153-F157 HydrophobicContact CE3-CZ 4.16Å; W153-F157 HydrophobicContact CZ3-CE2 4.31Å; W153-F157 HydrophobicContact CZ3-CZ 4.5Å; W153-F157 VanDerWaalsContact O-CD2 3.29Å; W153-F157 WeakPolarHBondContact O-CD2 3.43Å; W153-F157 PolarHBondContact O-N 3.33Å; W153-V832 HydrophobicContact CB-CG1 4.25Å; W153-T836 HydrophobicContact CB-CG2 3.7Å; W153-T836 HydrophobicContact CD2-CG2 4.23Å; W153-T836 HydrophobicContact CG-CG2 3.71Å
154Q81.3Confident83Confident63 Ų6370.1 Ų70.129%0.29433%0.331SS..Hα-helixtrans-61.1-61.2179.2-177.4-177.3-22.500112.2D152 Y156 F157 T158 V829D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3.14Å; D152-Q154 PolarHBondContact OD1-N 3.43Å; Q154-Y156 PolarHBondContact O-N 2.94Å; Q154-F157 PolarHBondContact O-N 3.48Å; Q154-T158 WeakPolarHBondContact O-CB 3.47Å; Q154-T158 VanDerWaalsContact O-CG2 3.28Å; Q154-T158 WeakPolarHBondContact O-CG2 3.25Å; Q154-T158 PolarHBondContact O-N 2.78Å; Q154-T158 PolarHBondContact O-OG1 2.73Å; Q154-V829 HydrophobicContact CG-CG2 4.21Å
155P81.2Confident82.6Confident48 Ų4870.7 Ų70.731%0.31233%0.333SS..Hα-helixtrans-63.9-28.1176.627.2-34.3000111.8D152 T159 R160D152-P155 HydrophobicContact CB-CG 3.92Å; D152-P155 WeakPolarHBondContact O-CD 3.41Å; D152-P155 WeakPolarHBondContact O-CG 3.47Å; D152-P155 WeakPolarHBondContact OD1-CD 3.38Å; D152-P155 VanDerWaalsContact OD2-CD 3.31Å; D152-P155 WeakPolarHBondContact OD2-CD 3.26Å; P155-T159 WeakPolarHBondContact O-CA 3.48Å; P155-T159 WeakPolarHBondContact O-CB 3.39Å; P155-T159 PolarHBondContact O-N 3.16Å; P155-R160 PolarHBondContact O-N 3.48Å
156Y83.4Confident82Confident94 Ų9470.6 Ų70.637%0.36933%0.333SS..Iπ-helixtrans-61.4-53.9176.4-176.4-101000112.4W153 Q154 R160 I161W153-Y156 AromaticContact CE3-CD1 3.77Å; W153-Y156 HydrophobicContact CE3-CD1 3.77Å; W153-Y156 HydrophobicContact CE3-CE1 4.32Å; W153-Y156 HydrophobicContact CE3-CG 4.34Å; W153-Y156 AromaticContact CZ3-CD1 3.87Å; W153-Y156 HydrophobicContact CZ3-CD1 3.87Å; W153-Y156 AromaticContact CZ3-CE1 3.96Å; W153-Y156 HydrophobicContact CZ3-CE1 3.96Å; W153-Y156 PolarHBondContact O-N 2.71Å; Q154-Y156 PolarHBondContact O-N 2.94Å; Y156-R160 HydrophobicContact CD2-CB 4.47Å; Y156-R160 PolarHBondContact O-N 2.82Å; Y156-I161 HydrophobicContact CD1-CD1 3.7Å; Y156-I161 HydrophobicContact CD1-CG1 4.33Å; Y156-I161 HydrophobicContact CE1-CD1 3.26Å; Y156-I161 HydrophobicContact CE1-CG1 3.95Å; Y156-I161 PolarHBondContact O-N 3.14Å
157F79.7Confident81.5Confident69 Ų6968.1 Ų68.130%0.30332%0.318SS..Iπ-helixtrans-75.9-31.8-178.2-77.5-67.7000113.9W153 Q154 I161 V832 T836W153-F157 HydrophobicContact CB-CD2 4.17Å; W153-F157 HydrophobicContact CB-CE2 4.24Å; W153-F157 HydrophobicContact CD2-CE2 4.26Å; W153-F157 HydrophobicContact CE3-CD2 4.27Å; W153-F157 AromaticContact CE3-CE2 3.56Å; W153-F157 HydrophobicContact CE3-CE2 3.56Å; W153-F157 HydrophobicContact CE3-CZ 4.16Å; W153-F157 HydrophobicContact CZ3-CE2 4.31Å; W153-F157 HydrophobicContact CZ3-CZ 4.5Å; W153-F157 VanDerWaalsContact O-CD2 3.29Å; W153-F157 WeakPolarHBondContact O-CD2 3.43Å; W153-F157 PolarHBondContact O-N 3.33Å; Q154-F157 PolarHBondContact O-N 3.48Å; F157-I161 HydrophobicContact CD1-CD1 3.56Å; F157-I161 HydrophobicContact CE1-CD1 3.8Å; F157-I161 HydrophobicContact CG-CD1 4.42Å; F157-V832 HydrophobicContact CB-CG2 4.22Å; F157-V832 HydrophobicContact CD2-CG1 3.93Å; F157-T836 HydrophobicContact CE2-CG2 4.01Å
158T72.1Confident81.3Confident8 Ų867.9 Ų67.95%0.04932%0.322CS..Iπ-helixtrans-92.9-24.4-171.662.10000113.8Q154 V162 I782 I828 V832Q154-T158 WeakPolarHBondContact O-CB 3.47Å; Q154-T158 VanDerWaalsContact O-CG2 3.28Å; Q154-T158 WeakPolarHBondContact O-CG2 3.25Å; Q154-T158 PolarHBondContact O-N 2.78Å; Q154-T158 PolarHBondContact O-OG1 2.73Å; T158-V162 WeakPolarHBondContact O-CG2 3.34Å; T158-I782 HydrophobicContact CG2-CD1 3.91Å; T158-I782 HydrophobicContact CG2-CG1 4.4Å; T158-I782 HydrophobicContact CG2-CG2 3.81Å; T158-I828 HydrophobicContact CG2-CG2 3.94Å; T158-V832 HydrophobicContact CG2-CG2 4.06Å
159T74.8Confident81Confident24 Ų2468.5 Ų68.515%0.14732%0.323CS..Iπ-helixtrans-120.1-64.8-173.4-640000110.1P155 V162 D163 R785P155-T159 WeakPolarHBondContact O-CA 3.48Å; P155-T159 WeakPolarHBondContact O-CB 3.39Å; P155-T159 PolarHBondContact O-N 3.16Å; T159-V162 PolarHBondContact O-N 3.06Å; T159-D163 WeakPolarHBondContact O-CB 2.94Å; T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.24Å; T159-R785 VanDerWaalsContact CG2-CZ 3.44Å
160R79.9Confident80.6Confident144 Ų14463 Ų6354%0.54330%0.298SS..Iπ-helixtrans-63.8-50.9-170.9-66-175.9173.4-167.8-5.4112.9P155 Y156 V162 D163 D164P155-R160 PolarHBondContact O-N 3.48Å; Y156-R160 HydrophobicContact CD2-CB 4.47Å; Y156-R160 PolarHBondContact O-N 2.82Å; R160-V162 VanDerWaalsContact C-N 3.32Å; R160-V162 PolarHBondContact O-N 3.41Å; R160-D163 PolarHBondContact O-N 3.42Å; R160-D164 PolarHBondContact O-N 3.23Å; R160-D164 VanDerWaalsContact O-N 3.11Å
161I81.4Confident80.5Confident63 Ų6356.1 Ų56.132%0.32327%0.266SS..Hα-helixtrans-62.6-41.1178.5-76.7173.8000111.5Y156 F157 D163 D164 F165Y156-I161 HydrophobicContact CD1-CD1 3.7Å; Y156-I161 HydrophobicContact CD1-CG1 4.33Å; Y156-I161 HydrophobicContact CE1-CD1 3.26Å; Y156-I161 HydrophobicContact CE1-CG1 3.95Å; Y156-I161 PolarHBondContact O-N 3.14Å; F157-I161 HydrophobicContact CD1-CD1 3.56Å; F157-I161 HydrophobicContact CE1-CD1 3.8Å; F157-I161 HydrophobicContact CG-CD1 4.42Å; I161-D163 VanDerWaalsContact C-N 3.34Å; I161-D164 PolarHBondContact O-N 2.67Å; I161-F165 WeakPolarHBondContact O-CB 3.41Å; I161-F165 PolarHBondContact O-N 2.98Å
162V76.8Confident80.4Confident28 Ų2855.6 Ų55.617%0.1726%0.261CS..Hα-helixtrans-65.7-40.7-178.7177.40000110.7T158 T159 R160 F165 G166 V786 L789T158-V162 WeakPolarHBondContact O-CG2 3.34Å; T159-V162 PolarHBondContact O-N 3.06Å; R160-V162 VanDerWaalsContact C-N 3.32Å; R160-V162 PolarHBondContact O-N 3.41Å; V162-F165 PolarHBondContact O-N 3.25Å; V162-G166 PolarHBondContact O-N 3.06Å; V162-V786 HydrophobicContact CG1-CB 4.49Å; V162-V786 HydrophobicContact CG1-CG1 4.28Å; V162-V786 HydrophobicContact CG1-CG2 4.06Å; V162-V786 HydrophobicContact CG2-CG2 4.19Å; V162-L789 HydrophobicContact CG1-CD1 4.08Å
163D75.9Confident80Confident9 Ų954.5 Ų54.55%0.04825%0.249CC..Hα-helixtrans-64.1-42176.8-78.48.2000112.1T159 R160 I161 G166 T167 S771 R785 L789T159-D163 WeakPolarHBondContact O-CB 2.94Å; T159-D163 VanDerWaalsContact O-CG 3.31Å; T159-D163 PolarHBondContact O-N 3.24Å; R160-D163 PolarHBondContact O-N 3.42Å; I161-D163 VanDerWaalsContact C-N 3.34Å; D163-G166 PolarHBondContact O-N 2.96Å; D163-T167 WeakPolarHBondContact O-CB 3.26Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.05Å; D163-S771 WeakPolarHBondContact OD2-CB 3.24Å; D163-S771 PolarHBondContact OD2-OG 2.96Å; D163-R785 IonicContact OD1-CZ 2.88Å; D163-R785 IonicContact OD1-NE 3.89Å; D163-R785 IonicContact OD1-NH2 3.99Å; D163-R785 PolarHBondContact OD1-NH2 2.68Å; D163-R785 IonicContact OD2-NH2 2.91Å; D163-R785 PolarHBondContact OD2-NH2 3.35Å; D163-L789 WeakPolarHBondContact OD1-CD1 3.39Å
164D81.2Confident79.8Confident65 Ų6553.8 Ų53.835%0.34825%0.248SC..Hα-helixtrans-64.7-45.3177.7-70.2-11.6000110.8R160 I161 G166 T167 H168 R769R160-D164 PolarHBondContact O-N 3.23Å; R160-D164 VanDerWaalsContact O-N 3.11Å; I161-D164 PolarHBondContact O-N 2.67Å; D164-G166 PolarHBondContact O-N 3.21Å; D164-T167 PolarHBondContact O-N 3.33Å; D164-H168 WeakPolarHBondContact O-CB 3.41Å; D164-H168 PolarHBondContact O-N 2.95Å; D164-R769 WeakPolarHBondContact OD1-CD 3.43Å; D164-R769 IonicContact OD1-CZ 2.66Å; D164-R769 IonicContact OD1-NE 2.97Å; D164-R769 PolarHBondContact OD1-NE 2.81Å; D164-R769 IonicContact OD1-NH1 3.32Å; D164-R769 PolarHBondContact OD1-NH1 3.01Å; D164-R769 IonicContact OD2-CZ 3.82Å; D164-R769 IonicContact OD2-NH1 2.89Å; D164-R769 PolarHBondContact OD2-NH1 3.23Å
165F81.3Confident80Confident120 Ų12050.8 Ų50.853%0.52623%0.234SC..Hα-helixtrans-61.8-44.1174.9-177.8-98.7000112.2I161 V162 T167 H168 L169 L790I161-F165 WeakPolarHBondContact O-CB 3.41Å; I161-F165 PolarHBondContact O-N 2.98Å; V162-F165 PolarHBondContact O-N 3.25Å; F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 3.25Å; F165-H168 PolarHBondContact O-N 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 PolarHBondContact O-N 2.87Å; F165-L790 HydrophobicContact CE1-CD2 4.47Å
166G75.7Confident80Confident9 Ų952.6 Ų52.69%0.09324%0.239CC..Hα-helixtrans-63-38.1176.900000112.6V162 D163 D164 R170V162-G166 PolarHBondContact O-N 3.06Å; D163-G166 PolarHBondContact O-N 2.96Å; D164-G166 PolarHBondContact O-N 3.21Å; G166-R170 PolarHBondContact O-N 3.01Å
167T78.8Confident79.7Confident6 Ų651.3 Ų51.34%0.03724%0.236CC..Hα-helixtrans-66.2-48.9176.3-57.90000110.8D163 D164 F165 L169 R170 V171D163-T167 WeakPolarHBondContact O-CB 3.26Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.05Å; D164-T167 PolarHBondContact O-N 3.33Å; F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 3.25Å; T167-L169 VanDerWaalsContact C-N 3.32Å; T167-L169 PolarHBondContact O-N 3.37Å; T167-R170 WeakPolarHBondContact O-CB 3.37Å; T167-R170 PolarHBondContact O-N 3.36Å; T167-R170 VanDerWaalsContact O-N 3.08Å; T167-V171 WeakPolarHBondContact O-CG2 3.24Å; T167-V171 PolarHBondContact O-N 3.39Å
168H84.5Confident79.8Confident107 Ų10750.5 Ų50.550%0.49523%0.232SC..Hα-helixtrans-57.5-44.4176179-94.5000112.1D164 F165 R170 V171 F172 F197D164-H168 WeakPolarHBondContact O-CB 3.41Å; D164-H168 PolarHBondContact O-N 2.95Å; F165-H168 PolarHBondContact O-N 3.3Å; H168-R170 VanDerWaalsContact C-N 3.28Å; H168-R170 PolarHBondContact O-N 3.42Å; H168-V171 PolarHBondContact O-N 3.44Å; H168-F172 WeakPolarHBondContact O-CB 3.28Å; H168-F172 PolarHBondContact O-N 3.24Å; H168-F197 AromaticContact CD2-CZ 3.61Å; H168-F197 AromaticContact NE2-CZ 3.69Å
169L81.6Confident80Confident33 Ų3351.5 Ų51.517%0.17324%0.237CC..Hα-helixtrans-61.6-36.4176.7-175.562.9000112.3F165 T167 R173 E793F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 PolarHBondContact O-N 2.87Å; T167-L169 VanDerWaalsContact C-N 3.32Å; T167-L169 PolarHBondContact O-N 3.37Å; L169-R173 WeakPolarHBondContact O-CG 3.44Å; L169-R173 PolarHBondContact O-N 3.21Å; L169-E793 HydrophobicContact CD2-CB 4.16Å
170R78.2Confident79.8Confident27 Ų2755.1 Ų55.110%0.10226%0.259CS..Hα-helixtrans-67.6-48.4177.5-167.6177.8-56.2144.223.5112G166 T167 H168 F172 R173 K174 M204 V770 E793G166-R170 PolarHBondContact O-N 3.01Å; T167-R170 WeakPolarHBondContact O-CB 3.37Å; T167-R170 PolarHBondContact O-N 3.36Å; T167-R170 VanDerWaalsContact O-N 3.08Å; H168-R170 VanDerWaalsContact C-N 3.28Å; H168-R170 PolarHBondContact O-N 3.42Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.98Å; R170-R173 PolarHBondContact O-N 3.36Å; R170-K174 PolarHBondContact O-N 3.34Å; R170-M204 HydrophobicContact CB-CE 4.24Å; R170-M204 HydrophobicContact CG-CE 3.89Å; R170-V770 VanDerWaalsContact CZ-O 3.26Å; R170-V770 PolarHBondContact NH1-O 3.26Å; R170-V770 PolarHBondContact NH2-O 3.06Å; R170-V770 VanDerWaalsContact NH2-O 3.08Å; R170-E793 VanDerWaalsContact CB-OE2 3.28Å; R170-E793 WeakPolarHBondContact CB-OE2 3.22Å; R170-E793 VanDerWaalsContact CG-OE2 3.24Å; R170-E793 WeakPolarHBondContact CG-OE2 3.37Å; R170-E793 IonicContact CZ-OE1 3.71Å; R170-E793 IonicContact CZ-OE2 2.73Å; R170-E793 IonicContact NE-OE1 3.36Å; R170-E793 PolarHBondContact NE-OE1 3.45Å; R170-E793 IonicContact NE-OE2 3.56Å; R170-E793 PolarHBondContact NE-OE2 3.31Å; R170-E793 IonicContact NH2-OE1 3.92Å; R170-E793 PolarHBondContact NH2-OE1 3.06Å; R170-E793 IonicContact NH2-OE2 3Å
171V84.9Confident79.3Confident2 Ų254.1 Ų54.11%0.01226%0.261CS..Hα-helixtrans-56.6-47176.6176.20000109.4T167 H168 R173 K174 A175 F197 V200 E201 M204T167-V171 WeakPolarHBondContact O-CG2 3.24Å; T167-V171 PolarHBondContact O-N 3.39Å; H168-V171 PolarHBondContact O-N 3.44Å; V171-R173 PolarHBondContact O-N 3.1Å; V171-K174 PolarHBondContact O-N 3.48Å; V171-A175 WeakPolarHBondContact O-CB 3.31Å; V171-A175 PolarHBondContact O-N 3.48Å; V171-F197 HydrophobicContact CB-CD2 4.48Å; V171-F197 HydrophobicContact CB-CE2 3.88Å; V171-F197 HydrophobicContact CB-CZ 4.04Å; V171-F197 HydrophobicContact CG1-CD1 4.16Å; V171-F197 HydrophobicContact CG1-CD2 3.75Å; V171-F197 HydrophobicContact CG1-CE1 3.93Å; V171-F197 HydrophobicContact CG1-CE2 3.51Å; V171-F197 HydrophobicContact CG1-CG 4.05Å; V171-F197 HydrophobicContact CG1-CZ 3.59Å; V171-F197 WeakPolarHBondContact CG1-O 3.28Å; V171-V200 HydrophobicContact CB-CG1 4.43Å; V171-V200 HydrophobicContact CG1-CB 4.18Å; V171-V200 HydrophobicContact CG1-CG1 3.95Å; V171-E201 HydrophobicContact CG1-CB 4.01Å; V171-M204 HydrophobicContact CG2-CE 4.08Å; V171-M204 HydrophobicContact CG2-SD 3.86Å
172F85Confident78.5Confident69 Ų6956.9 Ų56.930%0.30327%0.271SS..Hα-helixtrans-56.7-48.8176.8178.5-103.2000113.4H168 R170 A175 Q176 L193 F197H168-F172 WeakPolarHBondContact O-CB 3.28Å; H168-F172 PolarHBondContact O-N 3.24Å; R170-F172 VanDerWaalsContact C-N 3.27Å; R170-F172 PolarHBondContact O-N 2.98Å; F172-A175 WeakPolarHBondContact O-CB 3.39Å; F172-A175 PolarHBondContact O-N 3.19Å; F172-Q176 HydrophobicContact CD1-CG 4.45Å; F172-Q176 HydrophobicContact CE1-CG 4.03Å; F172-Q176 VanDerWaalsContact CE1-OE1 3.24Å; F172-Q176 HydrophobicContact CE2-CG 4.29Å; F172-Q176 HydrophobicContact CZ-CG 3.95Å; F172-Q176 WeakPolarHBondContact O-CG 3.36Å; F172-Q176 PolarHBondContact O-N 3.04Å; F172-L193 HydrophobicContact CE2-CD2 4.14Å; F172-F197 HydrophobicContact CB-CD2 4.21Å; F172-F197 HydrophobicContact CB-CE2 3.91Å; F172-F197 HydrophobicContact CD2-CD2 4.44Å
173R76.9Confident77.4Confident80 Ų8059.2 Ų59.230%0.30228%0.282SS..Hα-helixtrans-64.1-44.1179.7-80-167.5171.1116.64.2112.9L169 R170 V171 A175 Q176 Q177 E793 V794L169-R173 WeakPolarHBondContact O-CG 3.44Å; L169-R173 PolarHBondContact O-N 3.21Å; R170-R173 PolarHBondContact O-N 3.36Å; V171-R173 PolarHBondContact O-N 3.1Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.89Å; R173-Q176 PolarHBondContact O-N 3.4Å; R173-Q177 PolarHBondContact O-N 3.39Å; R173-E793 VanDerWaalsContact CZ-O 3.25Å; R173-E793 VanDerWaalsContact NH1-CB 3.32Å; R173-E793 PolarHBondContact NH1-O 3.37Å; R173-V794 VanDerWaalsContact NH1-N 3.18Å
174K81.8Confident76.3Confident61 Ų6166 Ų6627%0.26532%0.318SS..Hα-helixtrans-62.3-37.7176.7-78.7-168.3175.7-159.10111.6R170 V171 Q177 K178 V200 M204 E799R170-K174 PolarHBondContact O-N 3.34Å; V171-K174 PolarHBondContact O-N 3.48Å; K174-Q177 PolarHBondContact O-N 3.06Å; K174-K178 WeakPolarHBondContact O-CG 3.36Å; K174-K178 PolarHBondContact O-N 3.29Å; K174-V200 HydrophobicContact CB-CG1 3.65Å; K174-V200 HydrophobicContact CB-CG2 4.44Å; K174-V200 HydrophobicContact CD-CG1 4.4Å; K174-M204 HydrophobicContact CD-SD 3.79Å; K174-E799 VanDerWaalsContact CE-OE1 3.3Å; K174-E799 WeakPolarHBondContact CE-OE1 3.2Å; K174-E799 IonicContact NZ-OE1 2.69Å; K174-E799 PolarHBondContact NZ-OE1 2.71Å
175A85.7Confident74.7Confident0 Ų071.5 Ų71.50%034%0.342CS..Hα-helixtrans-63.6-46173.300000111.9V171 F172 R173 Q177 K178 I179 L193 T196 F197 V200V171-A175 WeakPolarHBondContact O-CB 3.31Å; V171-A175 PolarHBondContact O-N 3.48Å; F172-A175 WeakPolarHBondContact O-CB 3.39Å; F172-A175 PolarHBondContact O-N 3.19Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.89Å; A175-Q177 PolarHBondContact O-N 2.79Å; A175-K178 PolarHBondContact O-N 3.41Å; A175-I179 WeakPolarHBondContact O-CD1 3.49Å; A175-I179 WeakPolarHBondContact O-CG1 3.19Å; A175-I179 PolarHBondContact O-N 3.21Å; A175-L193 HydrophobicContact CB-CD1 4.18Å; A175-T196 HydrophobicContact CB-CG2 4.17Å; A175-F197 HydrophobicContact CB-CB 4.15Å; A175-V200 HydrophobicContact CB-CG2 4.32Å
176Q80.1Confident73.1Confident86 Ų8671.6 Ų71.640%0.40235%0.352SS..Hα-helixtrans-60.5-41.4175.1-73.3-168.9-44.800113F172 R173 I179 T180 L193F172-Q176 HydrophobicContact CD1-CG 4.45Å; F172-Q176 HydrophobicContact CE1-CG 4.03Å; F172-Q176 VanDerWaalsContact CE1-OE1 3.24Å; F172-Q176 HydrophobicContact CE2-CG 4.29Å; F172-Q176 HydrophobicContact CZ-CG 3.95Å; F172-Q176 WeakPolarHBondContact O-CG 3.36Å; F172-Q176 PolarHBondContact O-N 3.04Å; R173-Q176 PolarHBondContact O-N 3.4Å; Q176-I179 PolarHBondContact O-N 3.2Å; Q176-T180 PolarHBondContact O-N 3.03Å; Q176-T180 PolarHBondContact O-OG1 2.79Å; Q176-L193 HydrophobicContact CG-CD1 4.03Å
177Q77.8Confident72Confident67 Ų6779.3 Ų79.331%0.31338%0.383SS..Hα-helixtrans-63.1-48.7176.5-176.3-175.9-11.300111.1R173 K174 A175 I179 T180 E181R173-Q177 PolarHBondContact O-N 3.39Å; K174-Q177 PolarHBondContact O-N 3.06Å; A175-Q177 PolarHBondContact O-N 2.79Å; Q177-I179 PolarHBondContact O-N 2.77Å; Q177-T180 PolarHBondContact O-N 3.37Å; Q177-T180 VanDerWaalsContact O-N 3.09Å; Q177-E181 HydrophobicContact CG-CG 4.5Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.34Å; Q177-E181 PolarHBondContact NE2-OE1 3.02Å; Q177-E181 WeakPolarHBondContact O-CG 3.28Å; Q177-E181 PolarHBondContact O-N 3.27Å
178K81.6Confident70.8Confident53 Ų5380.8 Ų80.823%0.2340%0.4CS..Hα-helixtrans-57.2-36.1177.2-80.5-171.7-179.6-1790112.5K174 A175 K182 T196 V200 E203K174-K178 WeakPolarHBondContact O-CG 3.36Å; K174-K178 PolarHBondContact O-N 3.29Å; A175-K178 PolarHBondContact O-N 3.41Å; K178-K182 VanDerWaalsContact O-CG 3.3Å; K178-K182 WeakPolarHBondContact O-CG 3.34Å; K178-K182 PolarHBondContact O-N 3.37Å; K178-K182 VanDerWaalsContact O-N 3.14Å; K178-T196 HydrophobicContact CB-CG2 3.88Å; K178-T196 HydrophobicContact CD-CG2 4.16Å; K178-V200 HydrophobicContact CD-CG2 3.76Å; K178-E203 IonicContact NZ-OE1 2.73Å; K178-E203 PolarHBondContact NZ-OE1 2.93Å; K178-E203 IonicContact NZ-OE2 3.89Å; K178-E203 PolarHBondContact NZ-OE2 3.23Å
179I77.1Confident69.6Low29 Ų2979.5 Ų79.515%0.14940%0.399CS..Hα-helixtrans-71.5-43176.6-69163.1000111A175 Q176 Q177 E181 K182 D183 L193 T196A175-I179 WeakPolarHBondContact O-CD1 3.49Å; A175-I179 WeakPolarHBondContact O-CG1 3.19Å; A175-I179 PolarHBondContact O-N 3.21Å; Q176-I179 PolarHBondContact O-N 3.2Å; Q177-I179 PolarHBondContact O-N 2.77Å; I179-E181 VanDerWaalsContact C-N 3.27Å; I179-E181 PolarHBondContact O-N 3.5Å; I179-K182 CarbonylContact O-C 3.43Å; I179-K182 WeakPolarHBondContact O-CA 3.48Å; I179-K182 PolarHBondContact O-N 3.47Å; I179-D183 WeakPolarHBondContact O-CB 3.42Å; I179-D183 PolarHBondContact O-N 3.4Å; I179-L193 VanDerWaalsContact CD1-CA 3.41Å; I179-L193 HydrophobicContact CD1-CB 3.67Å; I179-L193 HydrophobicContact CD1-CD1 3.35Å; I179-L193 HydrophobicContact CD1-CG 4.08Å; I179-T196 HydrophobicContact CG1-CG2 4.19Å
180T69.2Low68.6Low100 Ų10081.8 Ų81.861%0.61342%0.423SS*.Hα-helixtrans-62.3-36.6178.1-51.70000111.4Q176 Q177 D183Q176-T180 PolarHBondContact O-N 3.03Å; Q176-T180 PolarHBondContact O-OG1 2.79Å; Q177-T180 PolarHBondContact O-N 3.37Å; Q177-T180 VanDerWaalsContact O-N 3.09Å; T180-D183 PolarHBondContact O-N 3.37Å
181E69.8Low68Low123 Ų12387.7 Ų87.758%0.57545%0.452SS*.Hα-helixtrans-70.3-28.6173.4-70172.6-173.900113.1Q177 I179Q177-E181 HydrophobicContact CG-CG 4.5Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.34Å; Q177-E181 PolarHBondContact NE2-OE1 3.02Å; Q177-E181 WeakPolarHBondContact O-CG 3.28Å; Q177-E181 PolarHBondContact O-N 3.27Å; I179-E181 VanDerWaalsContact C-N 3.27Å; I179-E181 PolarHBondContact O-N 3.5Å
182K65.3Low67.5Low121 Ų12190.8 Ų90.853%0.52647%0.469SS..Hα-helixtrans-80.2-25.7173.6-75.1175.1-179.6177.30112.9K178 I179 D184 Q185K178-K182 VanDerWaalsContact O-CG 3.3Å; K178-K182 WeakPolarHBondContact O-CG 3.34Å; K178-K182 PolarHBondContact O-N 3.37Å; K178-K182 VanDerWaalsContact O-N 3.14Å; I179-K182 CarbonylContact O-C 3.43Å; I179-K182 WeakPolarHBondContact O-CA 3.48Å; I179-K182 PolarHBondContact O-N 3.47Å; K182-D184 PolarHBondContact O-N 2.76Å; K182-D184 VanDerWaalsContact O-N 3.16Å; K182-Q185 PolarHBondContact O-N 2.65Å
183D53.7Low67.3Low76 Ų7689.8 Ų89.841%0.40647%0.466SS..THydrogen-bonded Turntrans-69.2-8.9-173-139.739.8000114.1I179 T180 Q185 K187 G188I179-D183 WeakPolarHBondContact O-CB 3.42Å; I179-D183 PolarHBondContact O-N 3.4Å; T180-D183 PolarHBondContact O-N 3.37Å; D183-Q185 PolarHBondContact O-N 3.25Å; D183-Q185 VanDerWaalsContact O-N 3.09Å; D183-K187 WeakPolarHBondContact OD1-CA 3.49Å; D183-G188 PolarHBondContact OD1-N 3.06Å
184D51.4Low67.7Low153 Ų15389 Ų8982%0.81847%0.47SS*.THydrogen-bonded Turntrans-63.6-6.9168.1-87.6-17.1000113K182K182-D184 PolarHBondContact O-N 2.76Å; K182-D184 VanDerWaalsContact O-N 3.16Å
185Q48.8Very low67.9Low180 Ų18090.2 Ų90.284%0.84148%0.48SS*.THydrogen-bonded Turntrans-127-31.6179.4-63.7-171.11000116.5K182 D183K182-Q185 PolarHBondContact O-N 2.65Å; D183-Q185 PolarHBondContact O-N 3.25Å; D183-Q185 VanDerWaalsContact O-N 3.09Å
186V47.9Very low67.9Low121 Ų12190.5 Ų90.573%0.73348%0.481SS*.SBendtrans-157.9135.5174.4-178.70000110.7G188V186-G188 PolarHBondContact O-N 3.12Å; V186-G188 VanDerWaalsContact O-N 3.09Å
187K51.7Low68.4Low171 Ų17187.6 Ų87.674%0.74347%0.467SS*.  trans-54.6108.2175.1-85.3-175.2175.1-177.40112.3D183D183-K187 WeakPolarHBondContact OD1-CA 3.49Å
188G53.3Low69Low38 Ų3885.2 Ų85.239%0.39246%0.456SS..  trans-65.2140.1174.200000113.2D183 V186D183-G188 PolarHBondContact OD1-N 3.06Å; V186-G188 PolarHBondContact O-N 3.12Å; V186-G188 VanDerWaalsContact O-N 3.09Å
189T60.4Low69.3Low79 Ų7987.4 Ų87.449%0.48547%0.467SS..  trans-88.4170174.763.10000111.9E191 D192T189-E191 PolarHBondContact O-N 2.89Å; T189-D192 PolarHBondContact N-OD2 3.05Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 2.88Å; T189-D192 PolarHBondContact OG1-OD2 3.16Å
190A60.4Low69.8Low82 Ų8286 Ų8668%0.67846%0.46SS*.Hα-helixtrans-65.2-25.817600000113.2L193A190-L193 PolarHBondContact O-N 2.95Å
191E64.8Low70.7Confident150 Ų15081.8 Ų81.870%0.70143%0.433SS*.Hα-helixtrans-67.8-41.1174.3-68.6175.5176.700110.3T189 L193 V194 D195T189-E191 PolarHBondContact O-N 2.89Å; E191-L193 PolarHBondContact O-N 3.38Å; E191-L193 VanDerWaalsContact O-N 3.14Å; E191-V194 PolarHBondContact O-N 2.96Å; E191-V194 VanDerWaalsContact O-N 3.07Å; E191-D195 PolarHBondContact O-N 3.05Å; E191-D195 VanDerWaalsContact O-N 3.15Å
192D74.5Confident71.5Confident68 Ų6878.9 Ų78.936%0.36442%0.423SS..Hα-helixtrans-60.7-27.8176.5-59.4-49.8000112.9T189 T196T189-D192 PolarHBondContact N-OD2 3.05Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 2.88Å; T189-D192 PolarHBondContact OG1-OD2 3.16Å; D192-T196 VanDerWaalsContact O-CB 3.24Å; D192-T196 WeakPolarHBondContact O-CB 3.21Å; D192-T196 PolarHBondContact O-N 3.21Å; D192-T196 PolarHBondContact O-OG1 2.83Å
193L81.9Confident72.4Confident47 Ų4778.9 Ų78.925%0.24643%0.425CS..Hα-helixtrans-72.9-38.9175.8177.865.2000113.1F172 A175 Q176 I179 A190 E191 F197F172-L193 HydrophobicContact CE2-CD2 4.14Å; A175-L193 HydrophobicContact CB-CD1 4.18Å; Q176-L193 HydrophobicContact CG-CD1 4.03Å; I179-L193 VanDerWaalsContact CD1-CA 3.41Å; I179-L193 HydrophobicContact CD1-CB 3.67Å; I179-L193 HydrophobicContact CD1-CD1 3.35Å; I179-L193 HydrophobicContact CD1-CG 4.08Å; A190-L193 PolarHBondContact O-N 2.95Å; E191-L193 PolarHBondContact O-N 3.38Å; E191-L193 VanDerWaalsContact O-N 3.14Å; L193-F197 WeakPolarHBondContact O-CB 3.24Å; L193-F197 PolarHBondContact O-N 3.48Å
194V85.3Confident73.6Confident65 Ų6576.8 Ų76.839%0.39441%0.414SS..Hα-helixtrans-68.5-44.1179.1177.50000109.9E191 F197 F198 T215E191-V194 PolarHBondContact O-N 2.96Å; E191-V194 VanDerWaalsContact O-N 3.07Å; V194-F197 WeakPolarHBondContact O-CB 3.46Å; V194-F197 PolarHBondContact O-N 3.25Å; V194-F198 HydrophobicContact CG1-CD2 3.96Å; V194-F198 HydrophobicContact CG1-CE2 3.63Å; V194-F198 VanDerWaalsContact O-CD2 3.28Å; V194-F198 WeakPolarHBondContact O-CD2 3.42Å; V194-F198 PolarHBondContact O-N 2.97Å; V194-F198 VanDerWaalsContact O-N 3.15Å; V194-T215 HydrophobicContact CG1-CG2 4.23Å
195D85.1Confident74.8Confident86 Ų8671.7 Ų71.746%0.4639%0.385SS..Hα-helixtrans-63.4-49.3177.6-67-12.4000110.9E191 F197 F198 E199E191-D195 PolarHBondContact O-N 3.05Å; E191-D195 VanDerWaalsContact O-N 3.15Å; D195-F197 PolarHBondContact O-N 3.4Å; D195-F198 PolarHBondContact O-N 3.27Å; D195-E199 WeakPolarHBondContact O-CG 3.02Å; D195-E199 PolarHBondContact O-N 3.23Å
196T86.6Confident76Confident6 Ų671.4 Ų71.44%0.03738%0.381CS..Hα-helixtrans-62.4-31.9177.4-53.60000111.7A175 K178 I179 D192 V200A175-T196 HydrophobicContact CB-CG2 4.17Å; K178-T196 HydrophobicContact CB-CG2 3.88Å; K178-T196 HydrophobicContact CD-CG2 4.16Å; I179-T196 HydrophobicContact CG1-CG2 4.19Å; D192-T196 VanDerWaalsContact O-CB 3.24Å; D192-T196 WeakPolarHBondContact O-CB 3.21Å; D192-T196 PolarHBondContact O-N 3.21Å; D192-T196 PolarHBondContact O-OG1 2.83Å; T196-V200 HydrophobicContact CG2-CG2 4.49Å; T196-V200 VanDerWaalsContact O-CG2 3.26Å; T196-V200 WeakPolarHBondContact O-CG2 3.49Å; T196-V200 PolarHBondContact O-N 3.27Å
197F90.4Very high77.1Confident24 Ų2473.6 Ų73.611%0.10538%0.383CS..Hα-helixtrans-61.8-51.2175.6177.9-82.7000111.5H168 V171 F172 A175 L193 V194 D195 V200 E201H168-F197 AromaticContact CD2-CZ 3.61Å; H168-F197 AromaticContact NE2-CZ 3.69Å; V171-F197 HydrophobicContact CB-CD2 4.48Å; V171-F197 HydrophobicContact CB-CE2 3.88Å; V171-F197 HydrophobicContact CB-CZ 4.04Å; V171-F197 HydrophobicContact CG1-CD1 4.16Å; V171-F197 HydrophobicContact CG1-CD2 3.75Å; V171-F197 HydrophobicContact CG1-CE1 3.93Å; V171-F197 HydrophobicContact CG1-CE2 3.51Å; V171-F197 HydrophobicContact CG1-CG 4.05Å; V171-F197 HydrophobicContact CG1-CZ 3.59Å; V171-F197 WeakPolarHBondContact CG1-O 3.28Å; F172-F197 HydrophobicContact CB-CD2 4.21Å; F172-F197 HydrophobicContact CB-CE2 3.91Å; F172-F197 HydrophobicContact CD2-CD2 4.44Å; A175-F197 HydrophobicContact CB-CB 4.15Å; L193-F197 WeakPolarHBondContact O-CB 3.24Å; L193-F197 PolarHBondContact O-N 3.48Å; V194-F197 WeakPolarHBondContact O-CB 3.46Å; V194-F197 PolarHBondContact O-N 3.25Å; D195-F197 PolarHBondContact O-N 3.4Å; F197-V200 PolarHBondContact O-N 3.39Å; F197-E201 PolarHBondContact O-N 2.97Å
198F90.4Very high78.1Confident18 Ų1868.1 Ų68.18%0.07936%0.364CS..Hα-helixtrans-71.6-29.6-179.6-68.6-60.9000112.7V194 D195 E201 V202 R210 D211 C214 T215V194-F198 HydrophobicContact CG1-CD2 3.96Å; V194-F198 HydrophobicContact CG1-CE2 3.63Å; V194-F198 VanDerWaalsContact O-CD2 3.28Å; V194-F198 WeakPolarHBondContact O-CD2 3.42Å; V194-F198 PolarHBondContact O-N 2.97Å; V194-F198 VanDerWaalsContact O-N 3.15Å; D195-F198 PolarHBondContact O-N 3.27Å; F198-E201 WeakPolarHBondContact O-CB 3.49Å; F198-E201 PolarHBondContact O-N 3.48Å; F198-V202 WeakPolarHBondContact O-CG2 3.15Å; F198-V202 PolarHBondContact O-N 2.85Å; F198-R210 HydrophobicContact CE1-CB 4.14Å; F198-D211 HydrophobicContact CB-CB 3.91Å; F198-D211 HydrophobicContact CD1-CB 4.13Å; F198-D211 HydrophobicContact CD2-CB 3.93Å; F198-D211 HydrophobicContact CG-CB 3.73Å; F198-C214 HydrophobicContact CE1-CB 4.35Å; F198-C214 HydrophobicContact CE2-CB 4.25Å; F198-C214 HydrophobicContact CZ-CB 3.55Å; F198-T215 HydrophobicContact CE2-CG2 3.98Å
199E87.5Confident79.4Confident98 Ų9869.8 Ų69.846%0.45837%0.369SS..Hα-helixtrans-58.1-48168.3-73.8178.8175.200111.5D195 E201 V202 E203D195-E199 WeakPolarHBondContact O-CG 3.02Å; D195-E199 PolarHBondContact O-N 3.23Å; E199-E201 VanDerWaalsContact C-N 3.34Å; E199-V202 PolarHBondContact O-N 2.94Å; E199-E203 WeakPolarHBondContact O-CG 3.3Å; E199-E203 PolarHBondContact O-N 3.44Å
200V87.1Confident80.6Confident1 Ų170.6 Ų70.61%0.00636%0.363CS..Hα-helixtrans-65.9-37.8177.5171.80000111.4V171 K174 A175 K178 T196 F197 V202 E203 M204V171-V200 HydrophobicContact CB-CG1 4.43Å; V171-V200 HydrophobicContact CG1-CB 4.18Å; V171-V200 HydrophobicContact CG1-CG1 3.95Å; K174-V200 HydrophobicContact CB-CG1 3.65Å; K174-V200 HydrophobicContact CB-CG2 4.44Å; K174-V200 HydrophobicContact CD-CG1 4.4Å; A175-V200 HydrophobicContact CB-CG2 4.32Å; K178-V200 HydrophobicContact CD-CG2 3.76Å; T196-V200 HydrophobicContact CG2-CG2 4.49Å; T196-V200 VanDerWaalsContact O-CG2 3.26Å; T196-V200 WeakPolarHBondContact O-CG2 3.49Å; T196-V200 PolarHBondContact O-N 3.27Å; F197-V200 PolarHBondContact O-N 3.39Å; V200-V202 VanDerWaalsContact C-N 3.35Å; V200-V202 PolarHBondContact O-N 3.34Å; V200-E203 PolarHBondContact O-N 3.04Å; V200-M204 HydrophobicContact CG1-CG 4.24Å; V200-M204 HydrophobicContact CG1-SD 3.67Å; V200-M204 WeakPolarHBondContact O-CB 3.09Å; V200-M204 VanDerWaalsContact O-CG 3.28Å; V200-M204 WeakPolarHBondContact O-CG 3.47Å; V200-M204 PolarHBondContact O-N 3.45Å
201E88.1Confident81.9Confident11 Ų1169 Ų695%0.05134%0.343CS..Hα-helixtrans-58.2-48175.4-172-175.8-120.600110.9V171 F197 F198 E199 E203 M204 E205 R210V171-E201 HydrophobicContact CG1-CB 4.01Å; F197-E201 PolarHBondContact O-N 2.97Å; F198-E201 WeakPolarHBondContact O-CB 3.49Å; F198-E201 PolarHBondContact O-N 3.48Å; E199-E201 VanDerWaalsContact C-N 3.34Å; E201-E203 PolarHBondContact O-N 3.44Å; E201-M204 PolarHBondContact O-N 3.48Å; E201-E205 HydrophobicContact CG-CG 4.47Å; E201-E205 WeakPolarHBondContact O-CB 3.17Å; E201-E205 PolarHBondContact O-N 2.8Å; E201-R210 WeakPolarHBondContact OE1-CD 3.16Å; E201-R210 IonicContact OE1-CZ 2.87Å; E201-R210 IonicContact OE1-NE 3.86Å; E201-R210 IonicContact OE1-NH1 3.93Å; E201-R210 PolarHBondContact OE1-NH1 3.32Å; E201-R210 PolarHBondContact OE2-N 3.46Å; E201-R210 IonicContact OE2-NH1 3.45Å
202V86.9Confident82.8Confident61 Ų6167.4 Ų67.437%0.3734%0.339SS..Hα-helixtrans-62.7-43.5178.1172.70000111.5F198 E199 V200 M204 K206 C209F198-V202 WeakPolarHBondContact O-CG2 3.15Å; F198-V202 PolarHBondContact O-N 2.85Å; E199-V202 PolarHBondContact O-N 2.94Å; V200-V202 VanDerWaalsContact C-N 3.35Å; V200-V202 PolarHBondContact O-N 3.34Å; V202-M204 VanDerWaalsContact C-N 3.26Å; V202-M204 PolarHBondContact O-N 2.85Å; V202-K206 WeakPolarHBondContact O-CA 3.1Å; V202-K206 PolarHBondContact O-N 2.91Å; V202-C209 HydrophobicContact CG2-CB 3.62Å; V202-C209 WeakPolarHBondContact CG2-SG 3.06Å
203E84.3Confident83.5Confident121 Ų12166.4 Ų66.457%0.56534%0.335SS*.Hα-helixtrans-60.4-37.7176.6-74.3175.1-170.300112.3K178 E199 V200 E201K178-E203 IonicContact NZ-OE1 2.73Å; K178-E203 PolarHBondContact NZ-OE1 2.93Å; K178-E203 IonicContact NZ-OE2 3.89Å; K178-E203 PolarHBondContact NZ-OE2 3.23Å; E199-E203 WeakPolarHBondContact O-CG 3.3Å; E199-E203 PolarHBondContact O-N 3.44Å; V200-E203 PolarHBondContact O-N 3.04Å; E201-E203 PolarHBondContact O-N 3.44Å
204M78.5Confident83.7Confident33 Ų3368.4 Ų68.416%0.16335%0.352CS..Hα-helixtrans-85.3-45.7-174.9-73-177.356.300113.6R170 V171 K174 V200 E201 V202 V770R170-M204 HydrophobicContact CB-CE 4.24Å; R170-M204 HydrophobicContact CG-CE 3.89Å; V171-M204 HydrophobicContact CG2-CE 4.08Å; V171-M204 HydrophobicContact CG2-SD 3.86Å; K174-M204 HydrophobicContact CD-SD 3.79Å; V200-M204 HydrophobicContact CG1-CG 4.24Å; V200-M204 HydrophobicContact CG1-SD 3.67Å; V200-M204 WeakPolarHBondContact O-CB 3.09Å; V200-M204 VanDerWaalsContact O-CG 3.28Å; V200-M204 WeakPolarHBondContact O-CG 3.47Å; V200-M204 PolarHBondContact O-N 3.45Å; E201-M204 PolarHBondContact O-N 3.48Å; V202-M204 VanDerWaalsContact C-N 3.26Å; V202-M204 PolarHBondContact O-N 2.85Å; M204-V770 HydrophobicContact CE-CG1 3.96Å
205E77.4Confident83.7Confident46 Ų4668.6 Ų68.622%0.21535%0.353CS..Hα-helixtrans-93-17.1-174.5-62.4-159.4171.500113.2E201 E207 V208 R210E201-E205 HydrophobicContact CG-CG 4.47Å; E201-E205 WeakPolarHBondContact O-CB 3.17Å; E201-E205 PolarHBondContact O-N 2.8Å; E205-E207 PolarHBondContact O-N 3.32Å; E205-V208 HydrophobicContact CB-CB 4.33Å; E205-R210 IonicContact OE1-NH1 3.84Å; E205-R210 IonicContact OE1-NH2 2.84Å; E205-R210 IonicContact OE2-CZ 3.79Å; E205-R210 VanDerWaalsContact OE2-CZ 3.23Å; E205-R210 IonicContact OE2-NH1 2.86Å; E205-R210 PolarHBondContact OE2-NH1 3.24Å; E205-R210 IonicContact OE2-NH2 3.94Å; E205-R210 PolarHBondContact OE2-NH2 2.88Å
206K74.3Confident84Confident173 Ų17365.9 Ų65.975%0.75234%0.341SS*.SBendtrans62.1-54.9177.1-57.6180180178.60115.7V202V202-K206 WeakPolarHBondContact O-CA 3.1Å; V202-K206 PolarHBondContact O-N 2.91Å
207E71.4Confident84.2Confident167 Ų16770.1 Ų70.178%0.7837%0.368SS*.SBendtrans-94.7-10.1-173.4-65.4-177.6177.600112.8E205E205-E207 PolarHBondContact O-N 3.32Å
208V71.8Confident84.2Confident57 Ų5777 Ų7735%0.34540%0.398SS..  trans-122.5130.9-176.2-167.20000110.7E205 R210E205-V208 HydrophobicContact CB-CB 4.33Å; V208-R210 HydrophobicContact CG1-CG 4.09Å
209C79.8Confident84.3Confident72 Ų7279.6 Ų79.649%0.48641%0.413SS..  trans-137.3120.5171.2-175.10000108V202V202-C209 HydrophobicContact CG2-CB 3.62Å; V202-C209 WeakPolarHBondContact CG2-SG 3.06Å
210R87.1Confident84.6Confident96 Ų9677 Ų7736%0.36240%0.401SS..  trans-101.22.2-176.4-61.5170.2-172.384-0.6112.9F198 E201 E205 V208 L212 V213 C214F198-R210 HydrophobicContact CE1-CB 4.14Å; E201-R210 WeakPolarHBondContact OE1-CD 3.16Å; E201-R210 IonicContact OE1-CZ 2.87Å; E201-R210 IonicContact OE1-NE 3.86Å; E201-R210 IonicContact OE1-NH1 3.93Å; E201-R210 PolarHBondContact OE1-NH1 3.32Å; E201-R210 PolarHBondContact OE2-N 3.46Å; E201-R210 IonicContact OE2-NH1 3.45Å; E205-R210 IonicContact OE1-NH1 3.84Å; E205-R210 IonicContact OE1-NH2 2.84Å; E205-R210 IonicContact OE2-CZ 3.79Å; E205-R210 VanDerWaalsContact OE2-CZ 3.23Å; E205-R210 IonicContact OE2-NH1 2.86Å; E205-R210 PolarHBondContact OE2-NH1 3.24Å; E205-R210 IonicContact OE2-NH2 3.94Å; E205-R210 PolarHBondContact OE2-NH2 2.88Å; V208-R210 HydrophobicContact CG1-CG 4.09Å; R210-L212 PolarHBondContact O-N 3.19Å; R210-V213 PolarHBondContact O-N 2.97Å; R210-C214 PolarHBondContact O-N 3.13Å; R210-C214 PolarHBondContact O-SG 3.4Å
211D86.6Confident84.9Confident50 Ų5079.5 Ų79.527%0.26741%0.413SS..Hα-helixtrans-45.5-65.5-178.1178.52000112F198 V213 C214 T215F198-D211 HydrophobicContact CB-CB 3.91Å; F198-D211 HydrophobicContact CD1-CB 4.13Å; F198-D211 HydrophobicContact CD2-CB 3.93Å; F198-D211 HydrophobicContact CG-CB 3.73Å; D211-V213 VanDerWaalsContact C-N 3.26Å; D211-V213 PolarHBondContact O-N 3.39Å; D211-V213 VanDerWaalsContact O-N 3.14Å; D211-C214 CarbonylContact O-C 3.39Å; D211-C214 PolarHBondContact O-N 2.9Å; D211-T215 PolarHBondContact O-N 3.49Å; D211-T215 PolarHBondContact O-OG1 3Å; D211-T215 WeakPolarHBondContact OD1-CG2 3.25Å; D211-T215 PolarHBondContact OD1-OG1 3.22Å
212L84.9Confident85.1Confident116 Ų11680 Ų8061%0.60742%0.421SS*.Hα-helixtrans-55.3-40.8-175.3-67.5174.1000112.8R210 C214 S216 D219R210-L212 PolarHBondContact O-N 3.19Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.38Å; L212-S216 VanDerWaalsContact O-CB 3.28Å; L212-S216 WeakPolarHBondContact O-CB 3.24Å; L212-S216 PolarHBondContact O-N 2.96Å; L212-D219 WeakPolarHBondContact O-CB 3.49Å
213V89Confident85.5Confident46 Ų4682.3 Ų82.328%0.27943%0.427SS..Hα-helixtrans-67.9-32.6179.9179.50000111.3R210 D211 E220 F223R210-V213 PolarHBondContact O-N 2.97Å; D211-V213 VanDerWaalsContact C-N 3.26Å; D211-V213 PolarHBondContact O-N 3.39Å; D211-V213 VanDerWaalsContact O-N 3.14Å; V213-E220 WeakPolarHBondContact O-CB 3.27Å; V213-F223 HydrophobicContact CG1-CB 3.89Å; V213-F223 HydrophobicContact CG1-CD1 4.06Å; V213-F223 HydrophobicContact CG1-CD2 4.42Å; V213-F223 HydrophobicContact CG1-CG 3.86Å; V213-F223 HydrophobicContact CG2-CB 4.25Å; V213-F223 HydrophobicContact CG2-CD2 4.29Å; V213-F223 HydrophobicContact CG2-CG 4.37Å
214C86.1Confident86Confident89 Ų8976.7 Ų76.760%0.60140%0.4SS*.Hα-helixtrans-91.7-22.5-177.8-67.40000114.1F198 R210 D211 L212F198-C214 HydrophobicContact CE1-CB 4.35Å; F198-C214 HydrophobicContact CE2-CB 4.25Å; F198-C214 HydrophobicContact CZ-CB 3.55Å; R210-C214 PolarHBondContact O-N 3.13Å; R210-C214 PolarHBondContact O-SG 3.4Å; D211-C214 CarbonylContact O-C 3.39Å; D211-C214 PolarHBondContact O-N 2.9Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.38Å
215T85.4Confident86.8Confident70 Ų7077.9 Ų77.943%0.42940%0.403SS..Hα-helixtrans-103.9-23.6-176.2590000113.4V194 F198 D211V194-T215 HydrophobicContact CG1-CG2 4.23Å; F198-T215 HydrophobicContact CE2-CG2 3.98Å; D211-T215 PolarHBondContact O-N 3.49Å; D211-T215 PolarHBondContact O-OG1 3Å; D211-T215 WeakPolarHBondContact OD1-CG2 3.25Å; D211-T215 PolarHBondContact OD1-OG1 3.22Å
216S90.4Very high87.6Confident29 Ų2981 Ų8120%0.20342%0.421CS..  trans-111.4116.5-180171.90000112L212 K218 D219 E220L212-S216 VanDerWaalsContact O-CB 3.28Å; L212-S216 WeakPolarHBondContact O-CB 3.24Å; L212-S216 PolarHBondContact O-N 2.96Å; S216-K218 PolarHBondContact O-N 3.37Å; S216-K218 VanDerWaalsContact O-N 3.11Å; S216-D219 WeakPolarHBondContact CB-OD2 3.17Å; S216-D219 PolarHBondContact O-N 3.33Å; S216-D219 VanDerWaalsContact O-N 3.11Å; S216-D219 PolarHBondContact OG-OD2 3.28Å; S216-E220 PolarHBondContact O-N 2.75Å
217P90.1Very high88.6Confident94 Ų9476 Ų7661%0.6140%0.403SS*.Hα-helixtrans-58.2-28.9177.1-25.933.7000113.8E221P217-E221 WeakPolarHBondContact O-CG 3.17Å; P217-E221 PolarHBondContact O-N 3.43Å
218K91.6Very high89.6Confident168 Ų16868.1 Ų68.173%0.7337%0.365SS*.Hα-helixtrans-72.5-39.3179.3-69.8-177.6-179.3175.10111.8S216 G222S216-K218 PolarHBondContact O-N 3.37Å; S216-K218 VanDerWaalsContact O-N 3.11Å; K218-G222 PolarHBondContact O-N 3.36Å
219D92.4Very high90.7Very high74 Ų7467 Ų6740%0.39636%0.356SS..Hα-helixtrans-76.2-34.5-179.5-63.4-65000110.6L212 S216 G222 F223L212-D219 WeakPolarHBondContact O-CB 3.49Å; S216-D219 WeakPolarHBondContact CB-OD2 3.17Å; S216-D219 PolarHBondContact O-N 3.33Å; S216-D219 VanDerWaalsContact O-N 3.11Å; S216-D219 PolarHBondContact OG-OD2 3.28Å; D219-G222 PolarHBondContact O-N 2.87Å; D219-F223 WeakPolarHBondContact O-CB 3.35Å; D219-F223 PolarHBondContact O-N 3.15Å
220E93.2Very high91.4Very high44 Ų4467.6 Ų67.621%0.20636%0.358CS..Hα-helixtrans-56.3-51.6168.5-169.4-176.7-165.900111.4V213 S216 G222 F223 L224 L260V213-E220 WeakPolarHBondContact O-CB 3.27Å; S216-E220 PolarHBondContact O-N 2.75Å; E220-G222 VanDerWaalsContact C-N 3.31Å; E220-G222 PolarHBondContact O-N 3.11Å; E220-F223 PolarHBondContact O-N 3.07Å; E220-L224 HydrophobicContact CG-CD1 4.47Å; E220-L224 WeakPolarHBondContact O-CG 3.01Å; E220-L224 PolarHBondContact O-N 3.32Å; E220-L260 HydrophobicContact CG-CD1 4.29Å
221E92.7Very high91.5Very high52 Ų5265.9 Ų65.924%0.24336%0.356CS..Hα-helixtrans-61.1-38.9176.8-75.1-173.9156.900112.9P217 R225 R256 L260P217-E221 WeakPolarHBondContact O-CG 3.17Å; P217-E221 PolarHBondContact O-N 3.43Å; E221-R225 WeakPolarHBondContact O-CG 3.33Å; E221-R225 PolarHBondContact O-N 3.39Å; E221-R225 VanDerWaalsContact O-N 3.08Å; E221-R225 IonicContact OE2-NH1 3.23Å; E221-R256 VanDerWaalsContact CD-NH2 3.26Å; E221-R256 IonicContact OE1-CZ 2.88Å; E221-R256 IonicContact OE1-NE 3.83Å; E221-R256 PolarHBondContact OE1-NE 3.31Å; E221-R256 VanDerWaalsContact OE1-NE 3.08Å; E221-R256 IonicContact OE1-NH2 3.86Å; E221-R256 PolarHBondContact OE1-NH2 3.18Å; E221-R256 VanDerWaalsContact OE1-NH2 3.12Å; E221-R256 IonicContact OE2-CZ 2.76Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 IonicContact OE2-NH2 2.75Å; E221-R256 PolarHBondContact OE2-NH2 3.24Å; E221-L260 HydrophobicContact CG-CD2 4.41Å
222G93.9Very high91.8Very high23 Ų2363.6 Ų63.624%0.23734%0.343CS..Hα-helixtrans-60.8-49.9175.300000111.4K218 D219 E220 L224 R225 D226K218-G222 PolarHBondContact O-N 3.36Å; D219-G222 PolarHBondContact O-N 2.87Å; E220-G222 VanDerWaalsContact C-N 3.31Å; E220-G222 PolarHBondContact O-N 3.11Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.43Å; G222-R225 WeakPolarHBondContact O-CB 3.47Å; G222-R225 PolarHBondContact O-N 3.3Å; G222-D226 PolarHBondContact O-N 2.9Å
223F94.1Very high92.1Very high109 Ų10965.5 Ų65.548%0.47834%0.343SS..Hα-helixtrans-58.2-44.4177.4179.1-95.6000112.3V213 D219 E220 R225 D226 L227V213-F223 HydrophobicContact CG1-CB 3.89Å; V213-F223 HydrophobicContact CG1-CD1 4.06Å; V213-F223 HydrophobicContact CG1-CD2 4.42Å; V213-F223 HydrophobicContact CG1-CG 3.86Å; V213-F223 HydrophobicContact CG2-CB 4.25Å; V213-F223 HydrophobicContact CG2-CD2 4.29Å; V213-F223 HydrophobicContact CG2-CG 4.37Å; D219-F223 WeakPolarHBondContact O-CB 3.35Å; D219-F223 PolarHBondContact O-N 3.15Å; E220-F223 PolarHBondContact O-N 3.07Å; F223-R225 VanDerWaalsContact C-N 3.34Å; F223-R225 PolarHBondContact O-N 2.85Å; F223-D226 PolarHBondContact O-N 2.89Å; F223-L227 WeakPolarHBondContact O-CB 3.35Å; F223-L227 PolarHBondContact O-N 2.94Å
224L94.9Very high92.1Very high3 Ų366.9 Ų66.92%0.01635%0.349CS..Hα-helixtrans-66.4-34.5178.1-66.1179.2000112.9E220 G222 L227 C228 A255 L259 L260 I263E220-L224 HydrophobicContact CG-CD1 4.47Å; E220-L224 WeakPolarHBondContact O-CG 3.01Å; E220-L224 PolarHBondContact O-N 3.32Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.43Å; L224-L227 HydrophobicContact CD2-CD2 4.39Å; L224-C228 WeakPolarHBondContact O-CB 3.48Å; L224-C228 PolarHBondContact O-N 3.03Å; L224-C228 PolarHBondContact O-SG 3.46Å; L224-A255 HydrophobicContact CB-CB 4.15Å; L224-L259 HydrophobicContact CD2-CB 4.44Å; L224-L260 HydrophobicContact CD1-CB 3.7Å; L224-L260 HydrophobicContact CD1-CD1 3.86Å; L224-L260 HydrophobicContact CD1-CG 4.39Å; L224-I263 HydrophobicContact CD1-CD1 4.18Å; L224-I263 HydrophobicContact CD2-CD1 3.42Å; L224-I263 VanDerWaalsContact CD2-CD1 3.42Å; L224-I263 HydrophobicContact CG-CD1 4.41Å
225R95.1Very high92.2Very high57 Ų5763.7 Ų63.722%0.21533%0.326CS..Hα-helixtrans-64.5-45.3173-75.8173.4174.6122.33.3111.7E221 G222 F223 L227 C228 E229 R251 E252 A255E221-R225 WeakPolarHBondContact O-CG 3.33Å; E221-R225 PolarHBondContact O-N 3.39Å; E221-R225 VanDerWaalsContact O-N 3.08Å; E221-R225 IonicContact OE2-NH1 3.23Å; G222-R225 WeakPolarHBondContact O-CB 3.47Å; G222-R225 PolarHBondContact O-N 3.3Å; F223-R225 VanDerWaalsContact C-N 3.34Å; F223-R225 PolarHBondContact O-N 2.85Å; R225-L227 VanDerWaalsContact C-N 3.35Å; R225-C228 PolarHBondContact O-N 3.26Å; R225-E229 PolarHBondContact O-N 3.15Å; R225-R251 WeakPolarHBondContact O-CD 3.48Å; R225-E252 IonicContact CZ-OE1 3.97Å; R225-E252 IonicContact CZ-OE2 3.79Å; R225-E252 IonicContact NE-OE1 2.81Å; R225-E252 PolarHBondContact NE-OE1 3.22Å; R225-E252 IonicContact NE-OE2 3.23Å; R225-E252 PolarHBondContact NE-OE2 2.89Å; R225-E252 VanDerWaalsContact NE-OE2 3.11Å; R225-E252 IonicContact NH2-OE1 2.7Å; R225-E252 IonicContact NH2-OE2 3.68Å; R225-E252 PolarHBondContact NH2-OE2 3Å; R225-A255 HydrophobicContact CG-CB 4.2Å
226D95.4Very high92.3Very high112 Ų11261 Ų6160%0.59931%0.309SS*.Hα-helixtrans-64.7-41.9179.2-70-18.7000111G222 F223 C228 E229 V230G222-D226 PolarHBondContact O-N 2.9Å; F223-D226 PolarHBondContact O-N 2.89Å; D226-C228 VanDerWaalsContact C-N 3.34Å; D226-C228 PolarHBondContact O-N 2.99Å; D226-E229 PolarHBondContact O-N 3.49Å; D226-V230 PolarHBondContact O-N 3.31Å; D226-V230 VanDerWaalsContact O-N 3.11Å
227L94.3Very high92.1Very high69 Ų6961.9 Ų61.936%0.36131%0.313SS..Hα-helixtrans-57.5-46.9171.5178.562.4000111.3F223 L224 R225 E229 V230 L231 L259F223-L227 WeakPolarHBondContact O-CB 3.35Å; F223-L227 PolarHBondContact O-N 2.94Å; L224-L227 HydrophobicContact CD2-CD2 4.39Å; R225-L227 VanDerWaalsContact C-N 3.35Å; L227-E229 PolarHBondContact O-N 2.9Å; L227-V230 PolarHBondContact O-N 3.43Å; L227-L231 HydrophobicContact CD1-CD1 4.48Å; L227-L231 HydrophobicContact CD1-CG 4.46Å; L227-L231 HydrophobicContact CG-CD1 4.14Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.37Å; L227-L231 PolarHBondContact O-N 3.01Å; L227-L259 HydrophobicContact CD2-CD1 4.29Å
228C93.7Very high91.8Very high0 Ų062.1 Ų62.10%032%0.315CS..Hα-helixtrans-64.2-35.3176.9-75.30000113L224 R225 D226 L231 L232 R251 L254 A255 L259L224-C228 WeakPolarHBondContact O-CB 3.48Å; L224-C228 PolarHBondContact O-N 3.03Å; L224-C228 PolarHBondContact O-SG 3.46Å; R225-C228 PolarHBondContact O-N 3.26Å; D226-C228 VanDerWaalsContact C-N 3.34Å; D226-C228 PolarHBondContact O-N 2.99Å; C228-L231 PolarHBondContact O-N 3.41Å; C228-L232 WeakPolarHBondContact O-CB 3.39Å; C228-L232 WeakPolarHBondContact O-CG 3.36Å; C228-L232 PolarHBondContact O-N 2.74Å; C228-R251 HydrophobicContact CB-CB 4.5Å; C228-R251 HydrophobicContact CB-CG 3.61Å; C228-L254 HydrophobicContact CB-CB 4.47Å; C228-L254 VanDerWaalsContact SG-CB 3.54Å; C228-A255 HydrophobicContact CB-CB 4.47Å; C228-A255 PolarHBondContact SG-N 3.36Å; C228-L259 VanDerWaalsContact SG-CD1 3.51Å
229E93.5Very high91.3Very high34 Ų3456.5 Ų56.516%0.15931%0.305CS..Hα-helixtrans-62.4-43.6173.8-76.8-67.9-177.400111.8R225 D226 L227 L232 Y233 R247 Y248 R251R225-E229 PolarHBondContact O-N 3.15Å; D226-E229 PolarHBondContact O-N 3.49Å; L227-E229 PolarHBondContact O-N 2.9Å; E229-L232 PolarHBondContact O-N 2.79Å; E229-Y233 WeakPolarHBondContact O-CB 3.45Å; E229-Y233 PolarHBondContact O-N 2.84Å; E229-R247 IonicContact OE1-NE 3.6Å; E229-R247 WeakPolarHBondContact OE2-CD 3.39Å; E229-R247 IonicContact OE2-CZ 2.74Å; E229-R247 IonicContact OE2-NE 2.75Å; E229-R247 PolarHBondContact OE2-NE 3Å; E229-Y248 WeakPolarHBondContact OE1-CD1 3.5Å; E229-Y248 WeakPolarHBondContact OE1-CE1 3.36Å; E229-R251 HydrophobicContact CG-CG 4.44Å; E229-R251 WeakPolarHBondContact OE1-CD 3.36Å; E229-R251 IonicContact OE1-CZ 3.94Å; E229-R251 IonicContact OE1-NE 3.73Å; E229-R251 IonicContact OE1-NH1 2.69Å; E229-R251 PolarHBondContact OE1-NH1 2.82Å
230V94.1Very high90.9Very high85 Ų8555.2 Ų55.252%0.51530%0.298SS..Hα-helixtrans-63.6-45.1175.8176.30000110.7D226 L227 L232 Y233 L234D226-V230 PolarHBondContact O-N 3.31Å; D226-V230 VanDerWaalsContact O-N 3.11Å; L227-V230 PolarHBondContact O-N 3.43Å; V230-L232 PolarHBondContact O-N 3.03Å; V230-Y233 WeakPolarHBondContact O-CB 3.36Å; V230-Y233 PolarHBondContact O-N 3.06Å; V230-L234 HydrophobicContact CG1-CD1 4.14Å; V230-L234 WeakPolarHBondContact O-CG 3.38Å; V230-L234 PolarHBondContact O-N 3.35Å; V230-L234 VanDerWaalsContact O-N 3.11Å
231L90.8Very high90.6Very high60 Ų6055 Ų5531%0.31430%0.296SS..Hα-helixtrans-60.1-46.6176.6-70.9173.2000111.4L227 C228 Y233 L234 L235L227-L231 HydrophobicContact CD1-CD1 4.48Å; L227-L231 HydrophobicContact CD1-CG 4.46Å; L227-L231 HydrophobicContact CG-CD1 4.14Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.37Å; L227-L231 PolarHBondContact O-N 3.01Å; C228-L231 PolarHBondContact O-N 3.41Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.08Å; L231-L234 PolarHBondContact O-N 2.73Å; L231-L234 VanDerWaalsContact O-N 3.14Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 VanDerWaalsContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 2.95Å
232L91.2Very high90.4Very high1 Ų159.6 Ų59.61%0.00532%0.318CS..Hα-helixtrans-64.7-35.9179-69.7172.8000112C228 E229 V230 L234 L235 L236 F241 R247 V250 R251 L254C228-L232 WeakPolarHBondContact O-CB 3.39Å; C228-L232 WeakPolarHBondContact O-CG 3.36Å; C228-L232 PolarHBondContact O-N 2.74Å; E229-L232 PolarHBondContact O-N 2.79Å; V230-L232 PolarHBondContact O-N 3.03Å; L232-L234 VanDerWaalsContact C-N 3.29Å; L232-L234 PolarHBondContact O-N 2.7Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-L236 HydrophobicContact CB-CD1 4.16Å; L232-L236 HydrophobicContact CB-CG 4.4Å; L232-L236 HydrophobicContact CD2-CD1 3.85Å; L232-L236 HydrophobicContact CD2-CG 4.02Å; L232-L236 WeakPolarHBondContact O-CB 3.4Å; L232-L236 WeakPolarHBondContact O-CG 3.41Å; L232-L236 PolarHBondContact O-N 2.88Å; L232-F241 HydrophobicContact CB-CD2 4.31Å; L232-F241 HydrophobicContact CB-CE2 4.29Å; L232-R247 HydrophobicContact CD1-CG 4.11Å; L232-V250 HydrophobicContact CD1-CG1 4.4Å; L232-V250 HydrophobicContact CD2-CB 4.47Å; L232-V250 HydrophobicContact CD2-CG1 3.68Å; L232-R251 HydrophobicContact CD1-CB 3.78Å; L232-R251 HydrophobicContact CD1-CG 4.49Å; L232-L254 HydrophobicContact CD2-CD1 3.77Å; L232-L254 HydrophobicContact CG-CD1 4.21Å
233Y91.6Very high90Very high156 Ų15662 Ų6261%0.61233%0.325SS*.Hα-helixtrans-61.8-37.7173.6179.2-103.4000112.4E229 V230 L231 F241E229-Y233 WeakPolarHBondContact O-CB 3.45Å; E229-Y233 PolarHBondContact O-N 2.84Å; V230-Y233 WeakPolarHBondContact O-CB 3.36Å; V230-Y233 PolarHBondContact O-N 3.06Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.08Å; Y233-F241 VanDerWaalsContact CA-CE2 3.42Å; Y233-F241 HydrophobicContact CD2-CD1 4.07Å; Y233-F241 AromaticContact CD2-CE1 3.68Å; Y233-F241 HydrophobicContact CD2-CE1 3.68Å; Y233-F241 HydrophobicContact CD2-CE2 4.2Å; Y233-F241 HydrophobicContact CD2-CG 4.48Å; Y233-F241 AromaticContact CD2-CZ 3.75Å; Y233-F241 HydrophobicContact CD2-CZ 3.75Å; Y233-F241 HydrophobicContact CE2-CE1 4.47Å; Y233-F241 HydrophobicContact CG-CE2 4.42Å; Y233-F241 HydrophobicContact CG-CZ 4.26Å
234L88.8Confident89.7Confident76 Ų7663 Ų6340%0.39833%0.33SS..Hα-helixtrans-80.3-27.9-179.2-66.8172.9000113.8R147 V230 L231 L232R147-L234 PolarHBondContact NE-O 3.44Å; R147-L234 PolarHBondContact NH2-O 2.93Å; V230-L234 HydrophobicContact CG1-CD1 4.14Å; V230-L234 WeakPolarHBondContact O-CG 3.38Å; V230-L234 PolarHBondContact O-N 3.35Å; V230-L234 VanDerWaalsContact O-N 3.11Å; L231-L234 PolarHBondContact O-N 2.73Å; L231-L234 VanDerWaalsContact O-N 3.14Å; L232-L234 VanDerWaalsContact C-N 3.29Å; L232-L234 PolarHBondContact O-N 2.7Å
235L89.6Confident89.2Confident22 Ų2269.5 Ų69.512%0.11536%0.363CS..Hα-helixtrans-103.5-28-170.3-63.3177.6000113.9A140 Q143 F144 L231 L232A140-L235 HydrophobicContact CB-CB 4.16Å; Q143-L235 HydrophobicContact CB-CD2 4.25Å; Q143-L235 WeakPolarHBondContact CB-O 3.5Å; Q143-L235 WeakPolarHBondContact CG-O 3.24Å; F144-L235 HydrophobicContact CB-CD1 4.38Å; F144-L235 HydrophobicContact CB-CD2 3.77Å; F144-L235 HydrophobicContact CD2-CD1 4.46Å; F144-L235 HydrophobicContact CD2-CD2 4.34Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 VanDerWaalsContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 2.95Å; L232-L235 PolarHBondContact O-N 3.48Å
236L87.1Confident88.5Confident13 Ų1367.4 Ų67.47%0.06836%0.355CS..SBendtrans-90.7146.8-177.7-65.5-174.6000112.9T136 A140 L232 D240 F241T136-L236 HydrophobicContact CG2-CD1 4.21Å; T136-L236 HydrophobicContact CG2-CD2 3.52Å; A140-L236 HydrophobicContact CB-CD2 3.91Å; L232-L236 HydrophobicContact CB-CD1 4.16Å; L232-L236 HydrophobicContact CB-CG 4.4Å; L232-L236 HydrophobicContact CD2-CD1 3.85Å; L232-L236 HydrophobicContact CD2-CG 4.02Å; L232-L236 WeakPolarHBondContact O-CB 3.4Å; L232-L236 WeakPolarHBondContact O-CG 3.41Å; L232-L236 PolarHBondContact O-N 2.88Å; L236-D240 HydrophobicContact CB-CB 4.41Å; L236-F241 HydrophobicContact CB-CB 4.24Å
237P85.8Confident88.1Confident47 Ų4763.7 Ų63.731%0.30533%0.333SS..  trans-56148165.5-2333.3000111.6G239 D240 F241P237-G239 PolarHBondContact O-N 2.6Å; P237-G239 VanDerWaalsContact O-N 3.11Å; P237-D240 PolarHBondContact O-N 3.41Å; P237-F241 PolarHBondContact O-N 2.66Å
238P84Confident87.9Confident100 Ų10065.1 Ų65.165%0.64933%0.334SS*.Hα-helixtrans-55.4-33.8-179.4-27.734.5000114.3Q242P238-Q242 WeakPolarHBondContact O-CB 3.47Å; P238-Q242 WeakPolarHBondContact O-CG 3.23Å; P238-Q242 PolarHBondContact O-N 2.66Å; P238-Q242 VanDerWaalsContact O-N 3.08Å
239G82.2Confident87.5Confident49 Ų4967.7 Ų67.751%0.50535%0.345SS..Hα-helixtrans-65.8-45176.400000112.9P237 Q242 N243P237-G239 PolarHBondContact O-N 2.6Å; P237-G239 VanDerWaalsContact O-N 3.11Å; G239-Q242 PolarHBondContact O-N 2.97Å; G239-N243 PolarHBondContact O-N 3.01Å
240D82.3Confident87Confident48 Ų4866.2 Ų66.226%0.25734%0.339SS..Hα-helixtrans-70.6-38.8-180-64.4-5.1000110.9L236 P237 Q242 N243L236-D240 HydrophobicContact CB-CB 4.41Å; P237-D240 PolarHBondContact O-N 3.41Å; D240-Q242 VanDerWaalsContact C-N 3.32Å; D240-Q242 PolarHBondContact O-N 3.08Å; D240-N243 WeakPolarHBondContact O-CB 3.28Å; D240-N243 PolarHBondContact O-N 3.31Å
241F87.1Confident86.9Confident39 Ų3964.4 Ų64.417%0.17132%0.323CS..Hα-helixtrans-66.4-32.8176.2-173.9-95.5000112.8L232 Y233 L236 P237 N243 R247L232-F241 HydrophobicContact CB-CD2 4.31Å; L232-F241 HydrophobicContact CB-CE2 4.29Å; Y233-F241 VanDerWaalsContact CA-CE2 3.42Å; Y233-F241 HydrophobicContact CD2-CD1 4.07Å; Y233-F241 AromaticContact CD2-CE1 3.68Å; Y233-F241 HydrophobicContact CD2-CE1 3.68Å; Y233-F241 HydrophobicContact CD2-CE2 4.2Å; Y233-F241 HydrophobicContact CD2-CG 4.48Å; Y233-F241 AromaticContact CD2-CZ 3.75Å; Y233-F241 HydrophobicContact CD2-CZ 3.75Å; Y233-F241 HydrophobicContact CE2-CE1 4.47Å; Y233-F241 HydrophobicContact CG-CE2 4.42Å; Y233-F241 HydrophobicContact CG-CZ 4.26Å; L236-F241 HydrophobicContact CB-CB 4.24Å; P237-F241 PolarHBondContact O-N 2.66Å; F241-N243 VanDerWaalsContact C-N 3.25Å; F241-N243 PolarHBondContact O-N 2.86Å; F241-R247 HydrophobicContact CD2-CG 4.3Å; F241-R247 HydrophobicContact CE2-CG 4.29Å; F241-R247 VanDerWaalsContact CZ-NH1 3.33Å; F241-R247 WeakPolarHBondContact O-CD 3.28Å; F241-R247 PolarHBondContact O-NH1 2.86Å
242Q88.4Confident86.9Confident148 Ų14864 Ų6469%0.69232%0.319SS*.Hα-helixtrans-71-21.2175.3-76.7175.615.400112.7P238 G239 D240 K244P238-Q242 WeakPolarHBondContact O-CB 3.47Å; P238-Q242 WeakPolarHBondContact O-CG 3.23Å; P238-Q242 PolarHBondContact O-N 2.66Å; P238-Q242 VanDerWaalsContact O-N 3.08Å; G239-Q242 PolarHBondContact O-N 2.97Å; D240-Q242 VanDerWaalsContact C-N 3.32Å; D240-Q242 PolarHBondContact O-N 3.08Å; Q242-K244 PolarHBondContact O-N 3.35Å
243N85.9Confident86.6Confident74 Ų7465 Ų6540%0.39632%0.324SS..  trans-73.292.4171.5-173.6-20.8000110.2G239 D240 F241 I245 M246 R247G239-N243 PolarHBondContact O-N 3.01Å; D240-N243 WeakPolarHBondContact O-CB 3.28Å; D240-N243 PolarHBondContact O-N 3.31Å; F241-N243 VanDerWaalsContact C-N 3.25Å; F241-N243 PolarHBondContact O-N 2.86Å; N243-I245 VanDerWaalsContact C-N 3.27Å; N243-I245 PolarHBondContact O-N 2.93Å; N243-I245 PolarHBondContact OD1-N 3.19Å; N243-M246 HydrophobicContact CB-CB 4.09Å; N243-M246 PolarHBondContact O-N 3.43Å; N243-M246 PolarHBondContact OD1-N 2.79Å; N243-R247 WeakPolarHBondContact O-CB 3.49Å; N243-R247 PolarHBondContact O-N 3.34Å
244K87.3Confident86.3Confident131 Ų13159.4 Ų59.457%0.5731%0.305SS*.Hα-helixtrans-56.5-37.8-176.7-64.4-176.2-177.9179.20113.5Q242 Y248Q242-K244 PolarHBondContact O-N 3.35Å; K244-Y248 HydrophobicContact CB-CE2 4.23Å; K244-Y248 WeakPolarHBondContact O-CB 3.26Å; K244-Y248 VanDerWaalsContact O-CD2 3.28Å; K244-Y248 WeakPolarHBondContact O-CD2 3.42Å; K244-Y248 PolarHBondContact O-N 3.47Å
245I84.8Confident86.5Confident139 Ų13955.9 Ų55.971%0.71329%0.287SS*.Hα-helixtrans-67.8-51.4-177.2-60.7174000109.3N243 R247 Y248 F249N243-I245 VanDerWaalsContact C-N 3.27Å; N243-I245 PolarHBondContact O-N 2.93Å; N243-I245 PolarHBondContact OD1-N 3.19Å; I245-R247 PolarHBondContact O-N 3.31Å; I245-Y248 PolarHBondContact O-N 2.76Å; I245-F249 VanDerWaalsContact O-CB 3.32Å; I245-F249 WeakPolarHBondContact O-CB 3.46Å; I245-F249 PolarHBondContact O-N 3.29Å
246M81Confident86.4Confident12 Ų1260.2 Ų60.26%0.05930%0.302CS..Hα-helixtrans-59.5-47.1176.9-176.162.17800111.1E132 I133 T136 N243 Y248 F249 V250E132-M246 HydrophobicContact CB-CE 4.25Å; I133-M246 HydrophobicContact CB-SD 4.43Å; I133-M246 HydrophobicContact CG1-CE 3.68Å; I133-M246 HydrophobicContact CG1-SD 3.66Å; T136-M246 HydrophobicContact CG2-CG 4.27Å; N243-M246 HydrophobicContact CB-CB 4.09Å; N243-M246 PolarHBondContact O-N 3.43Å; N243-M246 PolarHBondContact OD1-N 2.79Å; M246-Y248 PolarHBondContact O-N 3.31Å; M246-F249 PolarHBondContact O-N 3.41Å; M246-V250 HydrophobicContact CG-CG2 4.39Å; M246-V250 WeakPolarHBondContact O-CG2 3.38Å; M246-V250 PolarHBondContact O-N 3.33Å; M246-V250 HydrophobicContact SD-CG2 4.08Å
247R87.1Confident86.2Confident35 Ų3560 Ų6013%0.13230%0.303CS..Hα-helixtrans-58.5-50.6179.5-175.1-177.871-1714.4112.3E229 L232 F241 N243 I245 F249 V250 R251E229-R247 IonicContact OE1-NE 3.6Å; E229-R247 WeakPolarHBondContact OE2-CD 3.39Å; E229-R247 IonicContact OE2-CZ 2.74Å; E229-R247 IonicContact OE2-NE 2.75Å; E229-R247 PolarHBondContact OE2-NE 3Å; L232-R247 HydrophobicContact CD1-CG 4.11Å; F241-R247 HydrophobicContact CD2-CG 4.3Å; F241-R247 HydrophobicContact CE2-CG 4.29Å; F241-R247 VanDerWaalsContact CZ-NH1 3.33Å; F241-R247 WeakPolarHBondContact O-CD 3.28Å; F241-R247 PolarHBondContact O-NH1 2.86Å; N243-R247 WeakPolarHBondContact O-CB 3.49Å; N243-R247 PolarHBondContact O-N 3.34Å; I245-R247 PolarHBondContact O-N 3.31Å; R247-F249 VanDerWaalsContact C-N 3.3Å; R247-F249 PolarHBondContact O-N 3.2Å; R247-V250 PolarHBondContact O-N 2.89Å; R247-R251 VanDerWaalsContact O-CB 3.25Å; R247-R251 WeakPolarHBondContact O-CB 3.47Å; R247-R251 PolarHBondContact O-N 2.91Å
248Y89.3Confident86.1Confident99 Ų9959.3 Ų59.339%0.38830%0.296SS..Hα-helixtrans-64.7-37.6179.8-65.8-22000112E229 K244 I245 M246 R251 E252E229-Y248 WeakPolarHBondContact OE1-CD1 3.5Å; E229-Y248 WeakPolarHBondContact OE1-CE1 3.36Å; K244-Y248 HydrophobicContact CB-CE2 4.23Å; K244-Y248 WeakPolarHBondContact O-CB 3.26Å; K244-Y248 VanDerWaalsContact O-CD2 3.28Å; K244-Y248 WeakPolarHBondContact O-CD2 3.42Å; K244-Y248 PolarHBondContact O-N 3.47Å; I245-Y248 PolarHBondContact O-N 2.76Å; M246-Y248 PolarHBondContact O-N 3.31Å; Y248-R251 VanDerWaalsContact CD1-NH1 3.34Å; Y248-R251 PolarHBondContact O-N 3.48Å; Y248-E252 WeakPolarHBondContact O-CG 3.16Å; Y248-E252 PolarHBondContact O-N 3.21Å
249F85.3Confident86.3Confident53 Ų5356.3 Ų56.323%0.23228%0.275CS..Hα-helixtrans-63.6-51176.9-171.8-103.1000111.9V116 W119 I133 I245 M246 R247 R251 E252 I253V116-F249 HydrophobicContact CG1-CE1 4.25Å; V116-F249 HydrophobicContact CG1-CZ 4.35Å; V116-F249 HydrophobicContact CG2-CE1 3.79Å; V116-F249 HydrophobicContact CG2-CZ 3.96Å; W119-F249 AromaticContact CE2-CZ 3.97Å; W119-F249 HydrophobicContact CH2-CE2 4.12Å; W119-F249 HydrophobicContact CH2-CZ 4.21Å; W119-F249 HydrophobicContact CZ2-CD2 4.46Å; W119-F249 HydrophobicContact CZ2-CE1 4.15Å; W119-F249 AromaticContact CZ2-CE2 3.43Å; W119-F249 HydrophobicContact CZ2-CE2 3.43Å; W119-F249 VanDerWaalsContact CZ2-CE2 3.43Å; W119-F249 AromaticContact CZ2-CZ 3.27Å; W119-F249 HydrophobicContact CZ2-CZ 3.27Å; I133-F249 HydrophobicContact CD1-CD1 4.1Å; I133-F249 HydrophobicContact CD1-CE1 3.88Å; I245-F249 VanDerWaalsContact O-CB 3.32Å; I245-F249 WeakPolarHBondContact O-CB 3.46Å; I245-F249 PolarHBondContact O-N 3.29Å; M246-F249 PolarHBondContact O-N 3.41Å; R247-F249 VanDerWaalsContact C-N 3.3Å; R247-F249 PolarHBondContact O-N 3.2Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 2.89Å; F249-E252 PolarHBondContact O-N 3.33Å; F249-I253 HydrophobicContact CD1-CD1 3.87Å; F249-I253 HydrophobicContact CE1-CD1 3.25Å; F249-I253 HydrophobicContact CE1-CG1 4.3Å; F249-I253 HydrophobicContact CZ-CD1 3.59Å; F249-I253 HydrophobicContact CZ-CG1 4.32Å; F249-I253 PolarHBondContact O-N 2.83Å
250V84.3Confident86.7Confident3 Ų355.4 Ų55.42%0.01826%0.258CS..Hα-helixtrans-62.8-38177177.40000111.2L137 L232 M246 R247 I253 L254L137-V250 HydrophobicContact CD2-CG1 4.04Å; L232-V250 HydrophobicContact CD1-CG1 4.4Å; L232-V250 HydrophobicContact CD2-CB 4.47Å; L232-V250 HydrophobicContact CD2-CG1 3.68Å; M246-V250 HydrophobicContact CG-CG2 4.39Å; M246-V250 WeakPolarHBondContact O-CG2 3.38Å; M246-V250 PolarHBondContact O-N 3.33Å; M246-V250 HydrophobicContact SD-CG2 4.08Å; R247-V250 PolarHBondContact O-N 2.89Å; V250-I253 PolarHBondContact O-N 2.79Å; V250-L254 HydrophobicContact CG1-CD1 3.94Å; V250-L254 HydrophobicContact CG1-CG 4.24Å; V250-L254 WeakPolarHBondContact O-CG 3.16Å; V250-L254 PolarHBondContact O-N 3.4Å
251R91.1Very high86.8Confident47 Ų4755.4 Ų55.418%0.17726%0.26CS..Hα-helixtrans-58.9-47.8176.1-174.9-16568.6-160.96.7112R225 C228 E229 L232 R247 Y248 F249 I253 L254 A255R225-R251 WeakPolarHBondContact O-CD 3.48Å; C228-R251 HydrophobicContact CB-CB 4.5Å; C228-R251 HydrophobicContact CB-CG 3.61Å; E229-R251 HydrophobicContact CG-CG 4.44Å; E229-R251 WeakPolarHBondContact OE1-CD 3.36Å; E229-R251 IonicContact OE1-CZ 3.94Å; E229-R251 IonicContact OE1-NE 3.73Å; E229-R251 IonicContact OE1-NH1 2.69Å; E229-R251 PolarHBondContact OE1-NH1 2.82Å; L232-R251 HydrophobicContact CD1-CB 3.78Å; L232-R251 HydrophobicContact CD1-CG 4.49Å; R247-R251 VanDerWaalsContact O-CB 3.25Å; R247-R251 WeakPolarHBondContact O-CB 3.47Å; R247-R251 PolarHBondContact O-N 2.91Å; Y248-R251 VanDerWaalsContact CD1-NH1 3.34Å; Y248-R251 PolarHBondContact O-N 3.48Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 2.89Å; R251-I253 VanDerWaalsContact C-N 3.35Å; R251-L254 PolarHBondContact O-N 3.47Å; R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.35Å; R251-A255 PolarHBondContact O-N 2.8Å
252E90.3Very high86.7Confident52 Ų5256 Ų5624%0.24327%0.265CS..Hα-helixtrans-66.8-37.2-179.7-65.5-58.3129.700111.8R225 Y248 F249 R256R225-E252 IonicContact CZ-OE1 3.97Å; R225-E252 IonicContact CZ-OE2 3.79Å; R225-E252 IonicContact NE-OE1 2.81Å; R225-E252 PolarHBondContact NE-OE1 3.22Å; R225-E252 IonicContact NE-OE2 3.23Å; R225-E252 PolarHBondContact NE-OE2 2.89Å; R225-E252 VanDerWaalsContact NE-OE2 3.11Å; R225-E252 IonicContact NH2-OE1 2.7Å; R225-E252 IonicContact NH2-OE2 3.68Å; R225-E252 PolarHBondContact NH2-OE2 3Å; Y248-E252 WeakPolarHBondContact O-CG 3.16Å; Y248-E252 PolarHBondContact O-N 3.21Å; F249-E252 PolarHBondContact O-N 3.33Å; E252-R256 WeakPolarHBondContact O-CB 3.37Å; E252-R256 PolarHBondContact O-N 2.8Å
253I85.3Confident86.7Confident21 Ų2152 Ų5211%0.10825%0.248CC..Iπ-helixtrans-61.1-47.5173.5-68.6174.9000110.7V116 F249 V250 R251 G257 I258V116-I253 HydrophobicContact CG2-CD1 3.88Å; F249-I253 HydrophobicContact CD1-CD1 3.87Å; F249-I253 HydrophobicContact CE1-CD1 3.25Å; F249-I253 HydrophobicContact CE1-CG1 4.3Å; F249-I253 HydrophobicContact CZ-CD1 3.59Å; F249-I253 HydrophobicContact CZ-CG1 4.32Å; F249-I253 PolarHBondContact O-N 2.83Å; V250-I253 PolarHBondContact O-N 2.79Å; R251-I253 VanDerWaalsContact C-N 3.35Å; I253-G257 CarbonylContact O-C 3.42Å; I253-G257 WeakPolarHBondContact O-CA 3.43Å; I253-G257 PolarHBondContact O-N 3.24Å; I253-I258 HydrophobicContact CG2-CD1 4.36Å; I253-I258 PolarHBondContact O-N 3.24Å
254L85.8Confident86.8Confident40 Ų4052.3 Ų52.321%0.20925%0.249CC..Iπ-helixtrans-65.6-50.6179.5-70.2174.4000111.4C228 L232 V250 R251 I258 L259C228-L254 HydrophobicContact CB-CB 4.47Å; C228-L254 VanDerWaalsContact SG-CB 3.54Å; L232-L254 HydrophobicContact CD2-CD1 3.77Å; L232-L254 HydrophobicContact CG-CD1 4.21Å; V250-L254 HydrophobicContact CG1-CD1 3.94Å; V250-L254 HydrophobicContact CG1-CG 4.24Å; V250-L254 WeakPolarHBondContact O-CG 3.16Å; V250-L254 PolarHBondContact O-N 3.4Å; R251-L254 PolarHBondContact O-N 3.47Å; L254-I258 HydrophobicContact CD2-CD1 4.07Å; L254-I258 PolarHBondContact O-N 3.36Å; L254-L259 WeakPolarHBondContact O-CB 3.5Å; L254-L259 WeakPolarHBondContact O-CG 3.4Å; L254-L259 PolarHBondContact O-N 2.93Å
255A91.9Very high86.6Confident2 Ų249 Ų492%0.01724%0.236CC..Iπ-helixtrans-66.6-53.7-174.200000112L224 R225 C228 R251 L260L224-A255 HydrophobicContact CB-CB 4.15Å; R225-A255 HydrophobicContact CG-CB 4.2Å; C228-A255 HydrophobicContact CB-CB 4.47Å; C228-A255 PolarHBondContact SG-N 3.36Å; R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.35Å; R251-A255 PolarHBondContact O-N 2.8Å; A255-L260 VanDerWaalsContact O-CB 3.29Å; A255-L260 WeakPolarHBondContact O-CB 3.44Å; A255-L260 PolarHBondContact O-N 3.46Å
256R89.4Confident86.5Confident112 Ų11247 Ų4742%0.42323%0.226SC..Iπ-helixtrans-94.2-32.9-174.1-73.7-177.3161.7179.20.5114E221 E252 P261E221-R256 VanDerWaalsContact CD-NH2 3.26Å; E221-R256 IonicContact OE1-CZ 2.88Å; E221-R256 IonicContact OE1-NE 3.83Å; E221-R256 PolarHBondContact OE1-NE 3.31Å; E221-R256 VanDerWaalsContact OE1-NE 3.08Å; E221-R256 IonicContact OE1-NH2 3.86Å; E221-R256 PolarHBondContact OE1-NH2 3.18Å; E221-R256 VanDerWaalsContact OE1-NH2 3.12Å; E221-R256 IonicContact OE2-CZ 2.76Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 IonicContact OE2-NH2 2.75Å; E221-R256 PolarHBondContact OE2-NH2 3.24Å; E252-R256 WeakPolarHBondContact O-CB 3.37Å; E252-R256 PolarHBondContact O-N 2.8Å; R256-P261 VanDerWaalsContact O-CD 3.3Å; R256-P261 WeakPolarHBondContact O-CD 3.36Å
257G82.9Confident86.8Confident9 Ų949.8 Ų49.89%0.09325%0.247CC..Iπ-helixtrans-81.8-28.4-17800000113.7Y115 I253Y115-G257 PolarHBondContact OH-O 2.69Å; I253-G257 CarbonylContact O-C 3.42Å; I253-G257 WeakPolarHBondContact O-CA 3.43Å; I253-G257 PolarHBondContact O-N 3.24Å
258I83.2Confident86.8Confident32 Ų3251.1 Ų51.116%0.16426%0.257CS..Iπ-helixtrans-122.6-59.4-171.8-63167.4000112.1I253 L254 L262 F848I253-I258 HydrophobicContact CG2-CD1 4.36Å; I253-I258 PolarHBondContact O-N 3.24Å; L254-I258 HydrophobicContact CD2-CD1 4.07Å; L254-I258 PolarHBondContact O-N 3.36Å; I258-L262 WeakPolarHBondContact O-CB 3.49Å; I258-L262 PolarHBondContact O-N 3.29Å; I258-L262 VanDerWaalsContact O-N 3.17Å; I258-F848 HydrophobicContact CG2-CZ 4.28Å
259L87.9Confident86.7Confident38 Ų3850.3 Ų50.320%0.19926%0.264CS..Iπ-helixtrans-69.5-46.3-171.8-66.9-175.7000112.5L224 L227 C228 L254 L262 I263L224-L259 HydrophobicContact CD2-CB 4.44Å; L227-L259 HydrophobicContact CD2-CD1 4.29Å; C228-L259 VanDerWaalsContact SG-CD1 3.51Å; L254-L259 WeakPolarHBondContact O-CB 3.5Å; L254-L259 WeakPolarHBondContact O-CG 3.4Å; L254-L259 PolarHBondContact O-N 2.93Å; L259-L262 PolarHBondContact O-N 2.96Å; L259-I263 WeakPolarHBondContact O-CB 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.43Å; L259-I263 PolarHBondContact O-N 3.2Å
260L90Very high86.9Confident29 Ų2948.3 Ų48.315%0.15226%0.255CS..Hα-helixtrans-61.4-48.7-179178.667000112.6E220 E221 L224 A255 L262 I263 N264E220-L260 HydrophobicContact CG-CD1 4.29Å; E221-L260 HydrophobicContact CG-CD2 4.41Å; L224-L260 HydrophobicContact CD1-CB 3.7Å; L224-L260 HydrophobicContact CD1-CD1 3.86Å; L224-L260 HydrophobicContact CD1-CG 4.39Å; A255-L260 VanDerWaalsContact O-CB 3.29Å; A255-L260 WeakPolarHBondContact O-CB 3.44Å; A255-L260 PolarHBondContact O-N 3.46Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.3Å; L260-I263 PolarHBondContact O-N 3.27Å; L260-N264 WeakPolarHBondContact CD1-ND2 3.4Å; L260-N264 WeakPolarHBondContact O-CB 3.33Å; L260-N264 PolarHBondContact O-N 3.03Å; L260-N264 PolarHBondContact O-ND2 3.43Å
261P85.3Confident87Confident48 Ų4851.6 Ų51.631%0.31227%0.268SS..Hα-helixtrans-61.7-38.4174.3-24.134.3000112.9R256 Q265 F852R256-P261 VanDerWaalsContact O-CD 3.3Å; R256-P261 WeakPolarHBondContact O-CD 3.36Å; P261-Q265 WeakPolarHBondContact O-CB 3.31Å; P261-Q265 PolarHBondContact O-N 3.49Å; P261-F852 HydrophobicContact CB-CE1 4.11Å; P261-F852 HydrophobicContact CB-CZ 4.13Å
262L84.1Confident86.9Confident51 Ų5153.1 Ų53.127%0.26728%0.279SS..Hα-helixtrans-64.5-45.4178.9-179.465.8000111.7I258 L259 L260 Q265 L266I258-L262 WeakPolarHBondContact O-CB 3.49Å; I258-L262 PolarHBondContact O-N 3.29Å; I258-L262 VanDerWaalsContact O-N 3.17Å; L259-L262 PolarHBondContact O-N 2.96Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.3Å; L262-Q265 PolarHBondContact O-N 3.49Å; L262-L266 HydrophobicContact CD1-CD1 4.08Å; L262-L266 HydrophobicContact CD1-CG 4.3Å; L262-L266 HydrophobicContact CG-CD1 4Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.47Å
263I89.1Confident86.8Confident65 Ų6551.9 Ų51.933%0.33327%0.274SS..Hα-helixtrans-62.4-50.2177.6-71.6166.9000109.7L224 L259 L260 Q265 L266 S267L224-I263 HydrophobicContact CD1-CD1 4.18Å; L224-I263 HydrophobicContact CD2-CD1 3.42Å; L224-I263 VanDerWaalsContact CD2-CD1 3.42Å; L224-I263 HydrophobicContact CG-CD1 4.41Å; L259-I263 WeakPolarHBondContact O-CB 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.43Å; L259-I263 PolarHBondContact O-N 3.2Å; L260-I263 PolarHBondContact O-N 3.27Å; I263-Q265 VanDerWaalsContact C-N 3.25Å; I263-Q265 PolarHBondContact O-N 3.46Å; I263-L266 PolarHBondContact O-N 3.47Å; I263-L266 VanDerWaalsContact O-N 3.09Å; I263-S267 WeakPolarHBondContact O-CB 3.41Å; I263-S267 PolarHBondContact O-N 3.26Å; I263-S267 PolarHBondContact O-OG 2.82Å
264N86.9Confident86.9Confident80 Ų8054.6 Ų54.643%0.42829%0.286SS..Hα-helixtrans-55-40.9177.3-81-54.2000112.8L260 S267 D268L260-N264 WeakPolarHBondContact CD1-ND2 3.4Å; L260-N264 WeakPolarHBondContact O-CB 3.33Å; L260-N264 PolarHBondContact O-N 3.03Å; L260-N264 PolarHBondContact O-ND2 3.43Å; N264-S267 WeakPolarHBondContact CA-OG 3.29Å; N264-S267 PolarHBondContact O-OG 2.76Å; N264-D268 WeakPolarHBondContact O-CB 3.44Å; N264-D268 PolarHBondContact O-N 3.11Å; N264-D268 VanDerWaalsContact O-N 3.11Å
265Q83.6Confident86.7Confident61 Ų6157.6 Ų57.629%0.28530%0.295SS..Hα-helixtrans-67.7-45.8176.8-177.6176.35.200111.9P261 L262 I263 S267 D268 Y271P261-Q265 WeakPolarHBondContact O-CB 3.31Å; P261-Q265 PolarHBondContact O-N 3.49Å; L262-Q265 PolarHBondContact O-N 3.49Å; I263-Q265 VanDerWaalsContact C-N 3.25Å; I263-Q265 PolarHBondContact O-N 3.46Å; Q265-S267 VanDerWaalsContact C-N 3.3Å; Q265-S267 PolarHBondContact O-N 3.49Å; Q265-D268 PolarHBondContact O-N 3.21Å; Q265-Y271 HydrophobicContact CG-CD1 4.2Å; Q265-Y271 HydrophobicContact CG-CD2 3.83Å; Q265-Y271 HydrophobicContact CG-CE1 4.25Å; Q265-Y271 HydrophobicContact CG-CE2 3.88Å; Q265-Y271 HydrophobicContact CG-CG 3.98Å; Q265-Y271 WeakPolarHBondContact O-CB 3.29Å; Q265-Y271 WeakPolarHBondContact O-CD1 3.47Å; Q265-Y271 VanDerWaalsContact O-CG 3.31Å
266L83.8Confident86.1Confident98 Ų9858.6 Ų58.651%0.51330%0.301SS..Hα-helixtrans-69.9-26.9-178.9-69175.3000112.8L262 I263 Y271L262-L266 HydrophobicContact CD1-CD1 4.08Å; L262-L266 HydrophobicContact CD1-CG 4.3Å; L262-L266 HydrophobicContact CG-CD1 4Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 VanDerWaalsContact O-CG 3.27Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.47Å; I263-L266 PolarHBondContact O-N 3.47Å; I263-L266 VanDerWaalsContact O-N 3.09Å; L266-Y271 HydrophobicContact CD2-CE1 4.13Å
267S87.1Confident85.7Confident71 Ų7155.2 Ų55.250%0.49729%0.291SS..Hα-helixtrans-88.2-12.6176.562.20000114I263 N264 Q265 P269I263-S267 WeakPolarHBondContact O-CB 3.41Å; I263-S267 PolarHBondContact O-N 3.26Å; I263-S267 PolarHBondContact O-OG 2.82Å; N264-S267 WeakPolarHBondContact CA-OG 3.29Å; N264-S267 PolarHBondContact O-OG 2.76Å; Q265-S267 VanDerWaalsContact C-N 3.3Å; Q265-S267 PolarHBondContact O-N 3.49Å; S267-P269 VanDerWaalsContact O-CD 3.28Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å
268D86.6Confident85.5Confident63 Ų6359.8 Ų59.834%0.33731%0.305SS..  trans-66.2118.8179.5174.319.4000110.9N264 Q265 D270 Y271 I272N264-D268 WeakPolarHBondContact O-CB 3.44Å; N264-D268 PolarHBondContact O-N 3.11Å; N264-D268 VanDerWaalsContact O-N 3.11Å; Q265-D268 PolarHBondContact O-N 3.21Å; D268-D270 PolarHBondContact O-N 2.9Å; D268-D270 PolarHBondContact OD1-N 2.94Å; D268-Y271 PolarHBondContact O-N 3.39Å; D268-Y271 VanDerWaalsContact O-N 3.17Å; D268-Y271 PolarHBondContact OD2-N 2.96Å; D268-I272 WeakPolarHBondContact O-CG1 3.5Å; D268-I272 PolarHBondContact O-N 3.49Å
269P88Confident84.7Confident82 Ų8261 Ų6153%0.53231%0.311SS..Hα-helixtrans-56.6-34.5178-25.334.5000113.3S267 N273S267-P269 VanDerWaalsContact O-CD 3.28Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å; P269-N273 WeakPolarHBondContact O-CB 3.48Å; P269-N273 VanDerWaalsContact O-CG 3.32Å; P269-N273 PolarHBondContact O-N 3.33Å; P269-N273 PolarHBondContact O-ND2 3.38Å
270D88.9Confident83.8Confident10 Ų1060.6 Ų60.65%0.05331%0.309CS..Hα-helixtrans-71.4-43.2179.3-173.764.5000111.3D268 I272 N273 Q274 R865 R870D268-D270 PolarHBondContact O-N 2.9Å; D268-D270 PolarHBondContact OD1-N 2.94Å; D270-I272 VanDerWaalsContact C-N 3.33Å; D270-I272 PolarHBondContact O-N 3.22Å; D270-N273 PolarHBondContact O-N 2.88Å; D270-Q274 VanDerWaalsContact O-CG 3.31Å; D270-Q274 WeakPolarHBondContact O-CG 3.16Å; D270-Q274 PolarHBondContact O-N 3.49Å; D270-Q274 PolarHBondContact OD2-NE2 2.92Å; D270-R865 VanDerWaalsContact CG-NH1 3.26Å; D270-R865 IonicContact OD1-NH1 3.05Å; D270-R865 PolarHBondContact OD1-NH1 3.29Å; D270-R865 WeakPolarHBondContact OD2-CD 3.27Å; D270-R865 IonicContact OD2-CZ 2.62Å; D270-R865 IonicContact OD2-NE 3.21Å; D270-R865 IonicContact OD2-NH1 3.7Å; D270-R865 PolarHBondContact OD2-NH1 2.97Å; D270-R870 HydrophobicContact CB-CG 4.09Å
271Y86.8Confident82.8Confident73 Ų7364.4 Ų64.429%0.28632%0.321SS..Hα-helixtrans-56.2-46.5171.4-177.7-98.1000111.8Q265 L266 D268 N273 Q274 Y275Q265-Y271 HydrophobicContact CG-CD1 4.2Å; Q265-Y271 HydrophobicContact CG-CD2 3.83Å; Q265-Y271 HydrophobicContact CG-CE1 4.25Å; Q265-Y271 HydrophobicContact CG-CE2 3.88Å; Q265-Y271 HydrophobicContact CG-CG 3.98Å; Q265-Y271 WeakPolarHBondContact O-CB 3.29Å; Q265-Y271 WeakPolarHBondContact O-CD1 3.47Å; Q265-Y271 VanDerWaalsContact O-CG 3.31Å; L266-Y271 HydrophobicContact CD2-CE1 4.13Å; D268-Y271 PolarHBondContact O-N 3.39Å; D268-Y271 VanDerWaalsContact O-N 3.17Å; D268-Y271 PolarHBondContact OD2-N 2.96Å; Y271-N273 PolarHBondContact O-N 3.27Å; Y271-Q274 PolarHBondContact O-N 2.83Å; Y271-Y275 VanDerWaalsContact O-CB 3.31Å; Y271-Y275 WeakPolarHBondContact O-CB 3.08Å; Y271-Y275 PolarHBondContact O-N 3.47Å
272I88.2Confident81.7Confident78 Ų7865.1 Ų65.140%0.432%0.322SS..Hα-helixtrans-59.7-46.9176.6-65.2168.2000110.9D268 D270 Q274 Y275 V276D268-I272 WeakPolarHBondContact O-CG1 3.5Å; D268-I272 PolarHBondContact O-N 3.49Å; D270-I272 VanDerWaalsContact C-N 3.33Å; D270-I272 PolarHBondContact O-N 3.22Å; I272-Q274 PolarHBondContact O-N 3.47Å; I272-Y275 WeakPolarHBondContact O-CB 3.48Å; I272-Y275 PolarHBondContact O-N 2.95Å; I272-V276 HydrophobicContact CG2-CG2 4.43Å; I272-V276 VanDerWaalsContact O-CG2 3.31Å; I272-V276 WeakPolarHBondContact O-CG2 3.41Å; I272-V276 PolarHBondContact O-N 3.36Å
273N88.3Confident80.8Confident26 Ų2664 Ų6414%0.13932%0.319CS..Hα-helixtrans-62.8-42.8178.8-75.2-58.6000112P269 D270 Y271 Y275 V276 I277 T873P269-N273 WeakPolarHBondContact O-CB 3.48Å; P269-N273 VanDerWaalsContact O-CG 3.32Å; P269-N273 PolarHBondContact O-N 3.33Å; P269-N273 PolarHBondContact O-ND2 3.38Å; D270-N273 PolarHBondContact O-N 2.88Å; Y271-N273 PolarHBondContact O-N 3.27Å; N273-Y275 VanDerWaalsContact C-N 3.31Å; N273-Y275 PolarHBondContact O-N 3.43Å; N273-V276 PolarHBondContact O-N 2.89Å; N273-I277 VanDerWaalsContact O-CG1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.09Å; N273-I277 PolarHBondContact O-N 2.94Å; N273-T873 HydrophobicContact CB-CG2 3.92Å
274Q86.9Confident79.3Confident78 Ų7866.5 Ų66.536%0.36433%0.333SS..Hα-helixtrans-61.2-42.4174.1-70.8-177.465.700111.4D270 Y271 I272 I277 W278 R865 T873D270-Q274 VanDerWaalsContact O-CG 3.31Å; D270-Q274 WeakPolarHBondContact O-CG 3.16Å; D270-Q274 PolarHBondContact O-N 3.49Å; D270-Q274 PolarHBondContact OD2-NE2 2.92Å; Y271-Q274 PolarHBondContact O-N 2.83Å; I272-Q274 PolarHBondContact O-N 3.47Å; Q274-I277 PolarHBondContact O-N 3.47Å; Q274-W278 VanDerWaalsContact O-CB 3.32Å; Q274-W278 WeakPolarHBondContact O-CB 3.16Å; Q274-W278 PolarHBondContact O-N 3.3Å; Q274-R865 VanDerWaalsContact NE2-NH1 3.13Å; Q274-T873 HydrophobicContact CG-CG2 3.76Å
275Y81.6Confident78.1Confident104 Ų10466.7 Ų66.741%0.40834%0.339SS..Hα-helixtrans-64-42.9178.4-172.1-105.9000111.6Y271 I272 N273 W278 M279Y271-Y275 VanDerWaalsContact O-CB 3.31Å; Y271-Y275 WeakPolarHBondContact O-CB 3.08Å; Y271-Y275 PolarHBondContact O-N 3.47Å; I272-Y275 WeakPolarHBondContact O-CB 3.48Å; I272-Y275 PolarHBondContact O-N 2.95Å; N273-Y275 VanDerWaalsContact C-N 3.31Å; N273-Y275 PolarHBondContact O-N 3.43Å; Y275-W278 HydrophobicContact CD2-CE3 4.17Å; Y275-W278 AromaticContact CE2-CE3 3.91Å; Y275-W278 HydrophobicContact CE2-CE3 3.91Å; Y275-W278 AromaticContact CE2-CZ3 3.94Å; Y275-W278 HydrophobicContact CE2-CZ3 3.94Å; Y275-W278 PolarHBondContact O-N 3.14Å; Y275-M279 HydrophobicContact CD1-CE 3.64Å; Y275-M279 HydrophobicContact CD1-CG 4.07Å; Y275-M279 HydrophobicContact CD1-SD 3.9Å; Y275-M279 HydrophobicContact CE1-CE 3.63Å; Y275-M279 HydrophobicContact CE1-CG 3.72Å; Y275-M279 HydrophobicContact CE1-SD 3.29Å; Y275-M279 WeakPolarHBondContact CE1-SD 3.08Å; Y275-M279 HydrophobicContact CE2-CG 4.44Å; Y275-M279 WeakPolarHBondContact O-CB 3.26Å; Y275-M279 WeakPolarHBondContact O-CG 3.23Å; Y275-M279 PolarHBondContact O-N 3.5Å
276V78.9Confident77.3Confident22 Ų2267 Ų6713%0.13334%0.343CS..Hα-helixtrans-58.7-48.8172.8168.10000111.1I272 N273 W278 M279 I280 L881I272-V276 HydrophobicContact CG2-CG2 4.43Å; I272-V276 VanDerWaalsContact O-CG2 3.31Å; I272-V276 WeakPolarHBondContact O-CG2 3.41Å; I272-V276 PolarHBondContact O-N 3.36Å; N273-V276 PolarHBondContact O-N 2.89Å; V276-W278 VanDerWaalsContact C-N 3.29Å; V276-W278 PolarHBondContact O-N 3.47Å; V276-M279 HydrophobicContact CG2-CE 4.27Å; V276-M279 PolarHBondContact O-N 3.35Å; V276-I280 HydrophobicContact CG1-CD1 3.93Å; V276-I280 WeakPolarHBondContact O-CG1 3.26Å; V276-I280 PolarHBondContact O-N 3.27Å; V276-I280 VanDerWaalsContact O-N 3.08Å; V276-L881 HydrophobicContact CG1-CD1 3.87Å; V276-L881 HydrophobicContact CG1-CD2 3.88Å; V276-L881 HydrophobicContact CG1-CG 3.72Å
277I80.8Confident76.7Confident41 Ų4168.6 Ų68.621%0.2134%0.343CS..Hα-helixtrans-60.4-42.4177.4-68.7164.1000110.8N273 Q274 I280 R281 T873 A876 K880N273-I277 VanDerWaalsContact O-CG1 3.28Å; N273-I277 WeakPolarHBondContact O-CG1 3.09Å; N273-I277 PolarHBondContact O-N 2.94Å; Q274-I277 PolarHBondContact O-N 3.47Å; I277-I280 CarbonylContact O-C 3.57Å; I277-I280 VanDerWaalsContact O-C 3.25Å; I277-I280 PolarHBondContact O-N 3.1Å; I277-R281 VanDerWaalsContact O-CA 3.23Å; I277-R281 WeakPolarHBondContact O-CA 3.34Å; I277-R281 PolarHBondContact O-N 3.15Å; I277-T873 HydrophobicContact CD1-CG2 3.83Å; I277-T873 WeakPolarHBondContact CD1-O 3.32Å; I277-A876 HydrophobicContact CD1-CB 3.89Å; I277-K880 HydrophobicContact CG2-CD 4.2Å
278W80Confident75.6Confident105 Ų10571.1 Ų71.140%0.39835%0.347SS..Hα-helixtrans-66-45.7179.4174.988.1000112Q274 Y275 V276 I280 R281 R847Q274-W278 VanDerWaalsContact O-CB 3.32Å; Q274-W278 WeakPolarHBondContact O-CB 3.16Å; Q274-W278 PolarHBondContact O-N 3.3Å; Y275-W278 HydrophobicContact CD2-CE3 4.17Å; Y275-W278 AromaticContact CE2-CE3 3.91Å; Y275-W278 HydrophobicContact CE2-CE3 3.91Å; Y275-W278 AromaticContact CE2-CZ3 3.94Å; Y275-W278 HydrophobicContact CE2-CZ3 3.94Å; Y275-W278 PolarHBondContact O-N 3.14Å; V276-W278 VanDerWaalsContact C-N 3.29Å; V276-W278 PolarHBondContact O-N 3.47Å; W278-I280 PolarHBondContact O-N 3.37Å; W278-R281 WeakPolarHBondContact O-CB 3.25Å; W278-R281 WeakPolarHBondContact O-CG 3.48Å; W278-R281 PolarHBondContact O-N 3.05Å; W278-R847 VanDerWaalsContact CH2-NH1 3.32Å
279M66.4Low74.4Confident59 Ų5968.4 Ų68.429%0.29133%0.333SS..Hα-helixtrans-56.7-36.9176.2-78.8-164-64.100110.6Y275 V276 F696Y275-M279 HydrophobicContact CD1-CE 3.64Å; Y275-M279 HydrophobicContact CD1-CG 4.07Å; Y275-M279 HydrophobicContact CD1-SD 3.9Å; Y275-M279 HydrophobicContact CE1-CE 3.63Å; Y275-M279 HydrophobicContact CE1-CG 3.72Å; Y275-M279 HydrophobicContact CE1-SD 3.29Å; Y275-M279 WeakPolarHBondContact CE1-SD 3.08Å; Y275-M279 HydrophobicContact CE2-CG 4.44Å; Y275-M279 WeakPolarHBondContact O-CB 3.26Å; Y275-M279 WeakPolarHBondContact O-CG 3.23Å; Y275-M279 PolarHBondContact O-N 3.5Å; V276-M279 HydrophobicContact CG2-CE 4.27Å; V276-M279 PolarHBondContact O-N 3.35Å; M279-F696 HydrophobicContact CB-CE1 4.4Å; M279-F696 WeakPolarHBondContact O-CD1 3.43Å; M279-F696 WeakPolarHBondContact O-CE1 3.44Å
280I68.4Low73.9Confident29 Ų2967.3 Ų67.315%0.14932%0.321CS..THydrogen-bonded Turntrans-112.730.8-175.2-36.9155.5000111.5V276 I277 W278 D282 S283 K880 L881 I884V276-I280 HydrophobicContact CG1-CD1 3.93Å; V276-I280 WeakPolarHBondContact O-CG1 3.26Å; V276-I280 PolarHBondContact O-N 3.27Å; V276-I280 VanDerWaalsContact O-N 3.08Å; I277-I280 CarbonylContact O-C 3.57Å; I277-I280 VanDerWaalsContact O-C 3.25Å; I277-I280 PolarHBondContact O-N 3.1Å; W278-I280 PolarHBondContact O-N 3.37Å; I280-D282 PolarHBondContact O-N 2.88Å; I280-S283 WeakPolarHBondContact CG2-OG 3.34Å; I280-S283 PolarHBondContact O-N 3.45Å; I280-S283 PolarHBondContact O-OG 3.18Å; I280-S283 VanDerWaalsContact O-OG 3.07Å; I280-K880 PolarHBondContact O-NZ 3.31Å; I280-L881 HydrophobicContact CD1-CD2 3.76Å; I280-L881 HydrophobicContact CD1-CG 4.48Å; I280-I884 HydrophobicContact CB-CD1 3.83Å; I280-I884 HydrophobicContact CD1-CD1 3.19Å; I280-I884 HydrophobicContact CG1-CD1 3.75Å; I280-I884 HydrophobicContact CG2-CD1 3.12Å; I280-I884 HydrophobicContact CG2-CG1 3.69Å
281R70.1Confident73.1Confident108 Ų10867.1 Ų67.141%0.40832%0.319SS..THydrogen-bonded Turntrans-62.8-31.9-175.869.7-173-176.3-156.7-8.1112.5I277 W278 S283 K693 K880I277-R281 VanDerWaalsContact O-CA 3.23Å; I277-R281 WeakPolarHBondContact O-CA 3.34Å; I277-R281 PolarHBondContact O-N 3.15Å; W278-R281 WeakPolarHBondContact O-CB 3.25Å; W278-R281 WeakPolarHBondContact O-CG 3.48Å; W278-R281 PolarHBondContact O-N 3.05Å; R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3Å; R281-K693 PolarHBondContact NH2-O 3.29Å; R281-K693 VanDerWaalsContact NH2-O 3.14Å; R281-K880 PolarHBondContact O-NZ 3.48Å
282D62.2Low71.9Confident63 Ų6367 Ų6734%0.33732%0.323SS..THydrogen-bonded Turntrans-81-2-176.1-52.2-35.1000112.9I280 G694 A697I280-D282 PolarHBondContact O-N 2.88Å; D282-G694 WeakPolarHBondContact OD2-CA 3.43Å; D282-A697 HydrophobicContact CB-CB 3.68Å
283S64.2Low71.1Confident27 Ų2764.5 Ų64.519%0.18931%0.311CS..SBendtrans-85.8136.8172.175.50000111.6I280 R281 K880I280-S283 WeakPolarHBondContact CG2-OG 3.34Å; I280-S283 PolarHBondContact O-N 3.45Å; I280-S283 PolarHBondContact O-OG 3.18Å; I280-S283 VanDerWaalsContact O-OG 3.07Å; R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3Å; S283-K880 PolarHBondContact O-NZ 2.86Å
284N58.3Low70.4Confident119 Ų11963.4 Ų63.464%0.63631%0.305SS*.PPolyproline II helixtrans-67.4141.7173.8-67.2-12.3000110.5
285C61Low69.5Low83 Ų8362.7 Ų62.756%0.56130%0.3SS*.PPolyproline II helixtrans-83.3122.9172.7-650000108.4
286N67.5Low68.6Low68 Ų6863.1 Ų63.136%0.36431%0.309SS..PPolyproline II helixtrans-82.5129.2172.6-1770.9000109.2E288 A289 F290 A883N286-E288 PolarHBondContact ND2-OE2 3.01Å; N286-E288 PolarHBondContact O-N 2.88Å; N286-E288 PolarHBondContact OD1-N 2.76Å; N286-A289 HydrophobicContact CB-CB 3.99Å; N286-A289 PolarHBondContact O-N 3.18Å; N286-F290 PolarHBondContact O-N 3.03Å; N286-A883 HydrophobicContact CB-CB 4.37Å
287Y71.1Confident68.2Low132 Ų13262.4 Ų62.452%0.51831%0.305SS..Hα-helixtrans-55.1-39.8171.8166.6-99.9000111.8A289 F290 M291 F339Y287-A289 PolarHBondContact O-N 3.3Å; Y287-F290 WeakPolarHBondContact O-CB 3.47Å; Y287-F290 PolarHBondContact O-N 2.88Å; Y287-M291 HydrophobicContact CD1-CG 4.26Å; Y287-M291 HydrophobicContact CD2-CG 3.96Å; Y287-M291 HydrophobicContact CE1-CG 3.78Å; Y287-M291 HydrophobicContact CE2-CG 3.43Å; Y287-M291 VanDerWaalsContact CE2-CG 3.43Å; Y287-M291 HydrophobicContact CE2-SD 3.72Å; Y287-M291 HydrophobicContact CG-CG 4.36Å; Y287-M291 WeakPolarHBondContact O-CG 3.45Å; Y287-M291 PolarHBondContact O-N 2.82Å; Y287-F339 WeakPolarHBondContact OH-CE1 3.26Å
288E63.2Low67.7Low123 Ų12366.2 Ų66.258%0.57533%0.326SS*.Hα-helixtrans-64.3-43.3179.2-57.7172.8152.300111.2N286 F290 M291 N292N286-E288 PolarHBondContact ND2-OE2 3.01Å; N286-E288 PolarHBondContact O-N 2.88Å; N286-E288 PolarHBondContact OD1-N 2.76Å; E288-F290 VanDerWaalsContact C-N 3.32Å; E288-F290 PolarHBondContact O-N 2.86Å; E288-M291 PolarHBondContact O-N 3.29Å; E288-N292 WeakPolarHBondContact O-CB 3.3Å; E288-N292 PolarHBondContact O-N 2.88Å; E288-N292 PolarHBondContact O-ND2 2.75Å
289A62.2Low67.7Low6 Ų663.9 Ų63.95%0.0532%0.321CS..Hα-helixtrans-61.1-43.6175.500000110.9N286 Y287 N292 I293 T879 L882 A883N286-A289 HydrophobicContact CB-CB 3.99Å; N286-A289 PolarHBondContact O-N 3.18Å; Y287-A289 PolarHBondContact O-N 3.3Å; A289-N292 PolarHBondContact O-N 3.02Å; A289-I293 WeakPolarHBondContact O-CG1 3.33Å; A289-I293 PolarHBondContact O-N 3.25Å; A289-T879 HydrophobicContact CB-CG2 4.34Å; A289-L882 HydrophobicContact CB-CB 4.28Å; A289-L882 HydrophobicContact CB-CD2 4.04Å; A289-L882 HydrophobicContact CB-CG 4.11Å; A289-A883 HydrophobicContact CB-CB 4.24Å
290F76.7Confident68.6Low60 Ų6063.7 Ų63.726%0.26332%0.321SS..Hα-helixtrans-60.3-47.7176.2176.4-109.9000111.7N286 Y287 E288 N292 I293 I294 V306 V340 V875 T879N286-F290 PolarHBondContact O-N 3.03Å; Y287-F290 WeakPolarHBondContact O-CB 3.47Å; Y287-F290 PolarHBondContact O-N 2.88Å; E288-F290 VanDerWaalsContact C-N 3.32Å; E288-F290 PolarHBondContact O-N 2.86Å; F290-N292 VanDerWaalsContact C-N 3.35Å; F290-N292 PolarHBondContact O-N 3.44Å; F290-I293 PolarHBondContact O-N 3.49Å; F290-I294 HydrophobicContact CD1-CD1 4.03Å; F290-I294 HydrophobicContact CD2-CD1 4.45Å; F290-I294 HydrophobicContact CE1-CD1 3.46Å; F290-I294 VanDerWaalsContact CE1-CD1 3.46Å; F290-I294 HydrophobicContact CE2-CD1 3.93Å; F290-I294 HydrophobicContact CE2-CG1 4.5Å; F290-I294 HydrophobicContact CZ-CD1 3.43Å; F290-I294 VanDerWaalsContact CZ-CD1 3.43Å; F290-I294 HydrophobicContact CZ-CG1 4.44Å; F290-I294 WeakPolarHBondContact O-CG1 3.33Å; F290-I294 PolarHBondContact O-N 3.23Å; F290-I294 VanDerWaalsContact O-N 3.11Å; F290-V306 HydrophobicContact CZ-CG1 4.05Å; F290-V340 HydrophobicContact CE1-CG1 4.22Å; F290-V340 HydrophobicContact CE1-CG2 4.19Å; F290-V340 HydrophobicContact CZ-CG1 4.48Å; F290-V875 HydrophobicContact CD2-CG1 4.38Å; F290-V875 HydrophobicContact CE2-CG1 4.11Å; F290-T879 HydrophobicContact CB-CG2 3.8Å; F290-T879 HydrophobicContact CD2-CG2 4.42Å
291M71.8Confident69.5Low6 Ų663 Ų633%0.0332%0.321CS..Hα-helixtrans-65.1-38179.2-70.7-50.5-51.100112.5Y287 E288 I294 K295 F339 V340 V343Y287-M291 HydrophobicContact CD1-CG 4.26Å; Y287-M291 HydrophobicContact CD2-CG 3.96Å; Y287-M291 HydrophobicContact CE1-CG 3.78Å; Y287-M291 HydrophobicContact CE2-CG 3.43Å; Y287-M291 VanDerWaalsContact CE2-CG 3.43Å; Y287-M291 HydrophobicContact CE2-SD 3.72Å; Y287-M291 HydrophobicContact CG-CG 4.36Å; Y287-M291 WeakPolarHBondContact O-CG 3.45Å; Y287-M291 PolarHBondContact O-N 2.82Å; E288-M291 PolarHBondContact O-N 3.29Å; M291-I294 PolarHBondContact O-N 3.47Å; M291-K295 WeakPolarHBondContact O-CB 3.48Å; M291-K295 VanDerWaalsContact O-CG 3.28Å; M291-K295 WeakPolarHBondContact O-CG 3.17Å; M291-K295 PolarHBondContact O-N 3.43Å; M291-F339 HydrophobicContact CE-CD1 4.27Å; M291-F339 HydrophobicContact CE-CE1 3.6Å; M291-F339 HydrophobicContact CE-CZ 4.39Å; M291-F339 HydrophobicContact SD-CE1 4.22Å; M291-V340 HydrophobicContact SD-CG2 4.13Å; M291-V343 HydrophobicContact CE-CB 4.07Å; M291-V343 HydrophobicContact CE-CG1 3.89Å; M291-V343 HydrophobicContact CE-CG2 3.85Å
292N63Low70.4Confident69 Ų6958 Ų5837%0.36930%0.302SS..Hα-helixtrans-63.8-43176-73.8-11.9000111.4E288 A289 F290 I294 K295 L296 L882E288-N292 WeakPolarHBondContact O-CB 3.3Å; E288-N292 PolarHBondContact O-N 2.88Å; E288-N292 PolarHBondContact O-ND2 2.75Å; A289-N292 PolarHBondContact O-N 3.02Å; F290-N292 VanDerWaalsContact C-N 3.35Å; F290-N292 PolarHBondContact O-N 3.44Å; N292-I294 VanDerWaalsContact C-N 3.34Å; N292-I294 PolarHBondContact O-N 3.36Å; N292-K295 PolarHBondContact O-N 2.91Å; N292-L296 VanDerWaalsContact O-CB 3.31Å; N292-L296 WeakPolarHBondContact O-CB 3.48Å; N292-L296 WeakPolarHBondContact O-CG 3.39Å; N292-L296 PolarHBondContact O-N 3.04Å; N292-L882 HydrophobicContact CB-CD2 4.15Å
293I70.6Confident71.7Confident27 Ų2755 Ų5514%0.13829%0.287CS..Hα-helixtrans-60.1-43.5174.8-67-54.9000111.2A289 F290 S297 V875 K878 L882A289-I293 WeakPolarHBondContact O-CG1 3.33Å; A289-I293 PolarHBondContact O-N 3.25Å; F290-I293 PolarHBondContact O-N 3.49Å; I293-S297 VanDerWaalsContact O-CB 3.24Å; I293-S297 WeakPolarHBondContact O-CB 3.17Å; I293-S297 PolarHBondContact O-N 3.21Å; I293-V875 HydrophobicContact CG2-CG1 4.09Å; I293-K878 HydrophobicContact CD1-CB 3.89Å; I293-K878 HydrophobicContact CG1-CB 4.1Å; I293-K878 HydrophobicContact CG2-CB 4.11Å; I293-K878 HydrophobicContact CG2-CD 4.15Å; I293-L882 HydrophobicContact CD1-CB 4.5Å; I293-L882 HydrophobicContact CD1-CD2 3.85Å; I293-L882 HydrophobicContact CG1-CD2 4.04Å
294I74.3Confident73.1Confident3 Ų357.2 Ų57.22%0.01529%0.294CS..Hα-helixtrans-66.1-44.4177.7-64.8177.4000111.3F290 M291 N292 L296 L303 V306 V340 V343F290-I294 HydrophobicContact CD1-CD1 4.03Å; F290-I294 HydrophobicContact CD2-CD1 4.45Å; F290-I294 HydrophobicContact CE1-CD1 3.46Å; F290-I294 VanDerWaalsContact CE1-CD1 3.46Å; F290-I294 HydrophobicContact CE2-CD1 3.93Å; F290-I294 HydrophobicContact CE2-CG1 4.5Å; F290-I294 HydrophobicContact CZ-CD1 3.43Å; F290-I294 VanDerWaalsContact CZ-CD1 3.43Å; F290-I294 HydrophobicContact CZ-CG1 4.44Å; F290-I294 WeakPolarHBondContact O-CG1 3.33Å; F290-I294 PolarHBondContact O-N 3.23Å; F290-I294 VanDerWaalsContact O-N 3.11Å; M291-I294 PolarHBondContact O-N 3.47Å; N292-I294 VanDerWaalsContact C-N 3.34Å; N292-I294 PolarHBondContact O-N 3.36Å; I294-L296 VanDerWaalsContact C-N 3.32Å; I294-L296 PolarHBondContact O-N 2.94Å; I294-L303 HydrophobicContact CG2-CD2 3.8Å; I294-L303 WeakPolarHBondContact O-CD2 3.2Å; I294-V306 HydrophobicContact CD1-CG1 3.87Å; I294-V340 HydrophobicContact CD1-CG1 4.01Å; I294-V343 HydrophobicContact CG2-CG1 3.81Å
295K66.6Low74.8Confident62 Ų6251.7 Ų51.727%0.2727%0.265SS..Hα-helixtrans-64.1-37.7-178.4-75.7175.7173.7-172.10112.2M291 N292 V343 R347 D517M291-K295 WeakPolarHBondContact O-CB 3.48Å; M291-K295 VanDerWaalsContact O-CG 3.28Å; M291-K295 WeakPolarHBondContact O-CG 3.17Å; M291-K295 PolarHBondContact O-N 3.43Å; N292-K295 PolarHBondContact O-N 2.91Å; K295-V343 HydrophobicContact CG-CG1 4.05Å; K295-R347 WeakPolarHBondContact O-CD 3.29Å; K295-R347 PolarHBondContact O-NE 3.28Å; K295-D517 IonicContact NZ-OD2 2.78Å; K295-D517 PolarHBondContact NZ-OD2 3.14Å
296L63.7Low76.4Confident114 Ų11448.4 Ų48.460%0.59724%0.242SC*.Hα-helixtrans-91.7-17.5-176.7-64.2174.5000113.9N292 I294 D298 R347N292-L296 VanDerWaalsContact O-CB 3.31Å; N292-L296 WeakPolarHBondContact O-CB 3.48Å; N292-L296 WeakPolarHBondContact O-CG 3.39Å; N292-L296 PolarHBondContact O-N 3.04Å; I294-L296 VanDerWaalsContact C-N 3.32Å; I294-L296 PolarHBondContact O-N 2.94Å; L296-D298 PolarHBondContact O-N 3.04Å; L296-R347 PolarHBondContact O-NH2 2.91Å
297S70.1Confident77.6Confident6 Ų647.8 Ų47.84%0.04224%0.235CC..  trans-54.9131.1-178.7-175.40000111.2I293 N299 E302 R347I293-S297 VanDerWaalsContact O-CB 3.24Å; I293-S297 WeakPolarHBondContact O-CB 3.17Å; I293-S297 PolarHBondContact O-N 3.21Å; S297-N299 PolarHBondContact OG-N 2.84Å; S297-E302 PolarHBondContact OG-OE2 3.44Å; S297-R347 PolarHBondContact O-NE 3.29Å; S297-R347 PolarHBondContact O-NH2 3.45Å; S297-R347 VanDerWaalsContact O-NH2 3.16Å
298D70.6Confident78.8Confident121 Ų12145.1 Ų45.165%0.64723%0.229SC*.  trans-97.4-8.9175.156.4-8.9000111.9L296L296-D298 PolarHBondContact O-N 3.04Å
299N79.6Confident80.2Confident56 Ų5642 Ų4230%0.29921%0.214SC..  trans-96.6109.7-177.4-171.3-36.3000110.7S297 G301 E302 L303S297-N299 PolarHBondContact OG-N 2.84Å; N299-G301 PolarHBondContact O-N 3.26Å; N299-G301 WeakPolarHBondContact OD1-CA 3.37Å; N299-G301 PolarHBondContact OD1-N 3.37Å; N299-E302 HydrophobicContact CB-CB 4.2Å; N299-E302 HydrophobicContact CB-CG 3.81Å; N299-E302 WeakPolarHBondContact O-CB 3.37Å; N299-E302 PolarHBondContact O-N 2.91Å; N299-E302 VanDerWaalsContact O-N 3.1Å; N299-E302 PolarHBondContact OD1-N 2.71Å; N299-L303 PolarHBondContact O-N 3.42Å
300I85.6Confident81.6Confident56 Ų5642 Ų4229%0.28721%0.214SC..Hα-helixtrans-56.6-38.3178.5-62.9174.2000111.4E302 L303 E304 I348 L351 Q352I300-E302 VanDerWaalsContact C-N 3.33Å; I300-E302 PolarHBondContact O-N 2.7Å; I300-L303 PolarHBondContact O-N 3.36Å; I300-E304 HydrophobicContact CG2-CG 4Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.38Å; I300-I348 HydrophobicContact CG2-CG2 4.34Å; I300-L351 HydrophobicContact CD1-CB 4.33Å; I300-L351 HydrophobicContact CG1-CB 4.15Å; I300-L351 HydrophobicContact CG1-CD1 3.97Å; I300-Q352 HydrophobicContact CD1-CG 4.18Å
301G87.9Confident82.3Confident15 Ų1540.9 Ų40.916%0.15522%0.216CC..Hα-helixtrans-66.4-30.2179.600000113.9N299 A305N299-G301 PolarHBondContact O-N 3.26Å; N299-G301 WeakPolarHBondContact OD1-CA 3.37Å; N299-G301 PolarHBondContact OD1-N 3.37Å; G301-A305 VanDerWaalsContact O-CB 3.26Å; G301-A305 WeakPolarHBondContact O-CB 3.4Å; G301-A305 PolarHBondContact O-N 3.47Å; G301-A305 VanDerWaalsContact O-N 3.14Å
302E89.3Confident83.4Confident1 Ų145.9 Ų45.91%0.00524%0.239CC..Hα-helixtrans-65.2-46.5171.8-70.1177.6-173.900110.7S297 N299 I300 A305 V306 M871 R874 V875 K878S297-E302 PolarHBondContact OG-OE2 3.44Å; N299-E302 HydrophobicContact CB-CB 4.2Å; N299-E302 HydrophobicContact CB-CG 3.81Å; N299-E302 WeakPolarHBondContact O-CB 3.37Å; N299-E302 PolarHBondContact O-N 2.91Å; N299-E302 VanDerWaalsContact O-N 3.1Å; N299-E302 PolarHBondContact OD1-N 2.71Å; I300-E302 VanDerWaalsContact C-N 3.33Å; I300-E302 PolarHBondContact O-N 2.7Å; E302-A305 PolarHBondContact O-N 2.86Å; E302-V306 WeakPolarHBondContact O-CG2 3.38Å; E302-V306 PolarHBondContact O-N 3.3Å; E302-V306 VanDerWaalsContact O-N 3.15Å; E302-M871 HydrophobicContact CG-SD 4.19Å; E302-R874 WeakPolarHBondContact OE1-CD 3.2Å; E302-R874 IonicContact OE1-CZ 2.66Å; E302-R874 IonicContact OE1-NE 3.08Å; E302-R874 PolarHBondContact OE1-NE 2.81Å; E302-V875 HydrophobicContact CB-CG2 3.74Å; E302-V875 HydrophobicContact CG-CG2 4Å; E302-K878 IonicContact OE1-NZ 3.12Å; E302-K878 PolarHBondContact OE1-NZ 2.69Å; E302-K878 IonicContact OE2-NZ 3.51Å; E302-K878 PolarHBondContact OE2-NZ 2.96Å
303L88.7Confident84.7Confident2 Ų245.7 Ų45.71%0.0124%0.236CC..Hα-helixtrans-68-43.1-178.1-61.3169.7000112.2I294 N299 I300 V306 R307 R347 I348 L351I294-L303 HydrophobicContact CG2-CD2 3.8Å; I294-L303 WeakPolarHBondContact O-CD2 3.2Å; N299-L303 PolarHBondContact O-N 3.42Å; I300-L303 PolarHBondContact O-N 3.36Å; L303-V306 PolarHBondContact O-N 2.84Å; L303-R307 VanDerWaalsContact O-CB 3.24Å; L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 3.37Å; L303-R347 HydrophobicContact CD1-CB 3.87Å; L303-R347 HydrophobicContact CD1-CG 3.36Å; L303-R347 HydrophobicContact CD2-CB 4.36Å; L303-R347 HydrophobicContact CD2-CG 4.17Å; L303-R347 HydrophobicContact CG-CG 4.41Å; L303-I348 HydrophobicContact CB-CD1 3.83Å; L303-I348 HydrophobicContact CB-CG1 3.6Å; L303-I348 HydrophobicContact CD1-CG1 3.88Å; L303-I348 HydrophobicContact CG-CG1 4.41Å; L303-L351 HydrophobicContact CD1-CD1 3.71Å
304E93.8Very high85.5Confident72 Ų7244.7 Ų44.734%0.33623%0.231SC..Hα-helixtrans-61.7-46.5176.2-73178.8152.900111I300 V306 R307 D308 I348I300-E304 HydrophobicContact CG2-CG 4Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.38Å; E304-V306 VanDerWaalsContact C-N 3.32Å; E304-V306 PolarHBondContact O-N 3.38Å; E304-R307 WeakPolarHBondContact O-CB 3.44Å; E304-R307 PolarHBondContact O-N 2.94Å; E304-D308 WeakPolarHBondContact O-CB 3.49Å; E304-D308 PolarHBondContact O-N 2.79Å; E304-I348 HydrophobicContact CG-CD1 3.84Å
305A94.1Very high86.2Confident3 Ų351.5 Ų51.53%0.02526%0.263CS..Hα-helixtrans-63.6-37.3-179.300000112.8G301 E302 K309 S868 M871 R872G301-A305 VanDerWaalsContact O-CB 3.26Å; G301-A305 WeakPolarHBondContact O-CB 3.4Å; G301-A305 PolarHBondContact O-N 3.47Å; G301-A305 VanDerWaalsContact O-N 3.14Å; E302-A305 PolarHBondContact O-N 2.86Å; A305-K309 WeakPolarHBondContact O-CB 3.39Å; A305-K309 PolarHBondContact O-N 3.34Å; A305-S868 WeakPolarHBondContact CB-O 3.39Å; A305-M871 HydrophobicContact CB-CB 3.7Å; A305-R872 HydrophobicContact CB-CG 3.91Å; A305-R872 WeakPolarHBondContact O-CD 3.19Å
306V93.4Very high87.2Confident15 Ų1555 Ų559%0.09128%0.275CS..Hα-helixtrans-70.8-44.3174.1174.80000111.2F290 I294 E302 L303 E304 D308 K309 A310 V340 V875F290-V306 HydrophobicContact CZ-CG1 4.05Å; I294-V306 HydrophobicContact CD1-CG1 3.87Å; E302-V306 WeakPolarHBondContact O-CG2 3.38Å; E302-V306 PolarHBondContact O-N 3.3Å; E302-V306 VanDerWaalsContact O-N 3.15Å; L303-V306 PolarHBondContact O-N 2.84Å; E304-V306 VanDerWaalsContact C-N 3.32Å; E304-V306 PolarHBondContact O-N 3.38Å; V306-D308 VanDerWaalsContact C-N 3.35Å; V306-D308 PolarHBondContact O-N 3.46Å; V306-K309 PolarHBondContact O-N 2.85Å; V306-A310 WeakPolarHBondContact O-CB 3.48Å; V306-A310 PolarHBondContact O-N 3.43Å; V306-V340 HydrophobicContact CG1-CG1 3.98Å; V306-V875 HydrophobicContact CG2-CB 4.38Å; V306-V875 HydrophobicContact CG2-CG1 4.14Å; V306-V875 HydrophobicContact CG2-CG2 4.11Å
307R94.4Very high88.2Confident54 Ų5450.3 Ų50.320%0.20425%0.251CS..Hα-helixtrans-57.7-47.6177.1179.3-157.563.5-155.2-6.5111.3L303 E304 A310 A311 K341 C344 D345L303-R307 VanDerWaalsContact O-CB 3.24Å; L303-R307 WeakPolarHBondContact O-CB 3.27Å; L303-R307 PolarHBondContact O-N 3.37Å; E304-R307 WeakPolarHBondContact O-CB 3.44Å; E304-R307 PolarHBondContact O-N 2.94Å; R307-A310 PolarHBondContact O-N 3.49Å; R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 2.76Å; R307-K341 HydrophobicContact CG-CG 4.01Å; R307-C344 HydrophobicContact CB-CB 3.89Å; R307-C344 HydrophobicContact CG-CB 4.47Å; R307-D345 WeakPolarHBondContact CD-OD1 3.31Å
308D94.6Very high88.9Confident76 Ų7657.8 Ų57.841%0.40628%0.278SS..Hα-helixtrans-67.2-40.3-176.2-65.5-11.6000110.6E304 V306 A311 E312E304-D308 WeakPolarHBondContact O-CB 3.49Å; E304-D308 PolarHBondContact O-N 2.79Å; V306-D308 VanDerWaalsContact C-N 3.35Å; V306-D308 PolarHBondContact O-N 3.46Å; D308-A311 PolarHBondContact O-N 2.9Å; D308-E312 PolarHBondContact O-N 3.28Å
309K94.3Very high89.5Confident57 Ų5755.8 Ų55.825%0.24827%0.274CS..Hα-helixtrans-65.5-41.2173.4-173.450.7172.61640112.1A305 V306 A311 E312 E313A305-K309 WeakPolarHBondContact O-CB 3.39Å; A305-K309 PolarHBondContact O-N 3.34Å; V306-K309 PolarHBondContact O-N 2.85Å; K309-A311 VanDerWaalsContact C-N 3.29Å; K309-A311 PolarHBondContact O-N 3.38Å; K309-E312 WeakPolarHBondContact CD-OE2 3.41Å; K309-E312 VanDerWaalsContact NZ-CD 3.26Å; K309-E312 IonicContact NZ-OE1 3.31Å; K309-E312 PolarHBondContact NZ-OE1 2.84Å; K309-E312 IonicContact NZ-OE2 3.65Å; K309-E312 PolarHBondContact NZ-OE2 3.4Å; K309-E312 PolarHBondContact O-N 3.17Å; K309-E313 HydrophobicContact CD-CG 4.43Å; K309-E313 WeakPolarHBondContact CE-OE1 3.28Å; K309-E313 IonicContact NZ-OE1 3.34Å; K309-E313 PolarHBondContact NZ-OE1 2.95Å; K309-E313 WeakPolarHBondContact O-CG 3.49Å; K309-E313 PolarHBondContact O-N 3.33Å
310A91.4Very high89.6Confident7 Ų756.2 Ų56.26%0.05828%0.276CS..Hα-helixtrans-62.7-36.9174.700000112V306 R307 L314 L337V306-A310 WeakPolarHBondContact O-CB 3.48Å; V306-A310 PolarHBondContact O-N 3.43Å; R307-A310 PolarHBondContact O-N 3.49Å; A310-L314 WeakPolarHBondContact O-CB 3.28Å; A310-L314 WeakPolarHBondContact O-CD1 3.47Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.32Å; A310-L314 PolarHBondContact O-N 2.78Å; A310-L337 HydrophobicContact CB-CD2 4.34Å
311A91.5Very high88.2Confident37 Ų3761.9 Ų61.931%0.30631%0.306SS..Hα-helixtrans-67.6-40.5175.800000112.6R307 D308 K309 L314 Q315R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 2.76Å; D308-A311 PolarHBondContact O-N 2.9Å; K309-A311 VanDerWaalsContact C-N 3.29Å; K309-A311 PolarHBondContact O-N 3.38Å; A311-L314 WeakPolarHBondContact O-CB 3.46Å; A311-L314 PolarHBondContact O-N 2.82Å; A311-Q315 PolarHBondContact O-N 3.33Å
312E93Very high86.9Confident110 Ų11063.9 Ų63.951%0.51432%0.316SS..Hα-helixtrans-59.5-49.9173.7-172-16717000111.1D308 K309 L314 Q315 Y316D308-E312 PolarHBondContact O-N 3.28Å; K309-E312 WeakPolarHBondContact CD-OE2 3.41Å; K309-E312 VanDerWaalsContact NZ-CD 3.26Å; K309-E312 IonicContact NZ-OE1 3.31Å; K309-E312 PolarHBondContact NZ-OE1 2.84Å; K309-E312 IonicContact NZ-OE2 3.65Å; K309-E312 PolarHBondContact NZ-OE2 3.4Å; K309-E312 PolarHBondContact O-N 3.17Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 2.88Å; E312-Q315 PolarHBondContact O-N 2.73Å; E312-Y316 PolarHBondContact O-N 3.28Å
313E90.6Very high85.2Confident66 Ų6668.1 Ų68.131%0.30835%0.351SS..Hα-helixtrans-64.4-36.8177.6-65.4-56.314600112.2K309 Q315 Y316 L317 L337K309-E313 HydrophobicContact CD-CG 4.43Å; K309-E313 WeakPolarHBondContact CE-OE1 3.28Å; K309-E313 IonicContact NZ-OE1 3.34Å; K309-E313 PolarHBondContact NZ-OE1 2.95Å; K309-E313 WeakPolarHBondContact O-CG 3.49Å; K309-E313 PolarHBondContact O-N 3.33Å; E313-Q315 VanDerWaalsContact C-N 3.34Å; E313-Q315 PolarHBondContact O-N 3.4Å; E313-Y316 PolarHBondContact O-N 2.75Å; E313-L317 WeakPolarHBondContact O-CG 3.04Å; E313-L317 PolarHBondContact O-N 2.79Å; E313-L337 HydrophobicContact CB-CD1 3.77Å
314L88.7Confident84.1Confident5 Ų570.5 Ų70.53%0.02638%0.376CS..Hα-helixtrans-61-42.4173.4-83.3165.4000112.1A310 A311 E312 R318 I334 L337 L338 K341A310-L314 WeakPolarHBondContact O-CB 3.28Å; A310-L314 WeakPolarHBondContact O-CD1 3.47Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.32Å; A310-L314 PolarHBondContact O-N 2.78Å; A311-L314 WeakPolarHBondContact O-CB 3.46Å; A311-L314 PolarHBondContact O-N 2.82Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 2.88Å; L314-R318 WeakPolarHBondContact O-CB 3.49Å; L314-R318 WeakPolarHBondContact O-CD 3.39Å; L314-R318 WeakPolarHBondContact O-CG 3.46Å; L314-R318 PolarHBondContact O-N 2.81Å; L314-I334 HydrophobicContact CD2-CB 4.29Å; L314-I334 HydrophobicContact CD2-CG1 4.42Å; L314-I334 HydrophobicContact CD2-CG2 3.9Å; L314-L337 HydrophobicContact CD1-CB 4.12Å; L314-L337 HydrophobicContact CD2-CB 3.72Å; L314-L337 HydrophobicContact CD2-CD1 4.36Å; L314-L337 HydrophobicContact CG-CB 3.65Å; L314-L337 HydrophobicContact CG-CD1 4.17Å; L314-L338 HydrophobicContact CD1-CD2 3.95Å; L314-L338 HydrophobicContact CD1-CG 4.29Å; L314-L338 HydrophobicContact CD2-CD2 4.27Å; L314-L338 HydrophobicContact CD2-CG 3.93Å; L314-K341 HydrophobicContact CD1-CD 4.28Å
315Q87.8Confident82.3Confident147 Ų14773.7 Ų73.769%0.68740%0.395SS*.Hα-helixtrans-67.3-40.6177.9-174.9172.3-2.900111.1A311 E312 E313 R318 S319A311-Q315 PolarHBondContact O-N 3.33Å; E312-Q315 PolarHBondContact O-N 2.73Å; E313-Q315 VanDerWaalsContact C-N 3.34Å; E313-Q315 PolarHBondContact O-N 3.4Å; Q315-R318 PolarHBondContact O-N 3.46Å; Q315-S319 PolarHBondContact O-N 3.07Å; Q315-S319 VanDerWaalsContact O-N 3.14Å
316Y88.8Confident81Confident134 Ų13478.3 Ų78.353%0.52542%0.42SS..Hα-helixtrans-59.4-52.4174.1175.5-104.5000111.6E312 E313 R318 S319 L320E312-Y316 PolarHBondContact O-N 3.28Å; E313-Y316 PolarHBondContact O-N 2.75Å; Y316-R318 VanDerWaalsContact C-N 3.28Å; Y316-R318 PolarHBondContact O-N 3.47Å; Y316-S319 WeakPolarHBondContact O-CB 3.46Å; Y316-S319 PolarHBondContact O-N 3.43Å; Y316-S319 PolarHBondContact O-OG 3.35Å; Y316-L320 HydrophobicContact CE1-CD1 4.13Å; Y316-L320 PolarHBondContact O-N 2.82Å
317L84.8Confident80.2Confident17 Ų1780.3 Ų80.39%0.08943%0.429CS..Hα-helixtrans-61.8-34.3179.4-70.8177000113.1E313 S319 L320 I330 Q333 I334 L337E313-L317 WeakPolarHBondContact O-CG 3.04Å; E313-L317 PolarHBondContact O-N 2.79Å; L317-S319 VanDerWaalsContact C-N 3.27Å; L317-S319 PolarHBondContact O-N 3.05Å; L317-L320 HydrophobicContact CD2-CD1 3.99Å; L317-L320 PolarHBondContact O-N 2.94Å; L317-I330 HydrophobicContact CB-CG2 4.39Å; L317-Q333 HydrophobicContact CD1-CB 3.79Å; L317-I334 HydrophobicContact CB-CD1 4.28Å; L317-I334 HydrophobicContact CB-CG1 3.95Å; L317-I334 HydrophobicContact CD1-CG1 4.13Å; L317-L337 HydrophobicContact CD1-CD1 3.7Å
318R83.8Confident79.2Confident162 Ų16282.2 Ų82.261%0.61144%0.444SS*.Hα-helixtrans-71.5-19.8174.9-74.4169.5177.4-179.3-2.4113.7L314 Q315 Y316 I334L314-R318 WeakPolarHBondContact O-CB 3.49Å; L314-R318 WeakPolarHBondContact O-CD 3.39Å; L314-R318 WeakPolarHBondContact O-CG 3.46Å; L314-R318 PolarHBondContact O-N 2.81Å; Q315-R318 PolarHBondContact O-N 3.46Å; Y316-R318 VanDerWaalsContact C-N 3.28Å; Y316-R318 PolarHBondContact O-N 3.47Å; R318-I334 HydrophobicContact CG-CD1 4.3Å
319S84Confident78.4Confident80 Ų8082.4 Ų82.456%0.55945%0.448SS*.Hα-helixtrans-86.8-9.1178.673.30000113.7Q315 Y316 L317 D321Q315-S319 PolarHBondContact O-N 3.07Å; Q315-S319 VanDerWaalsContact O-N 3.14Å; Y316-S319 WeakPolarHBondContact O-CB 3.46Å; Y316-S319 PolarHBondContact O-N 3.43Å; Y316-S319 PolarHBondContact O-OG 3.35Å; L317-S319 VanDerWaalsContact C-N 3.27Å; L317-S319 PolarHBondContact O-N 3.05Å; S319-D321 PolarHBondContact O-N 2.83Å
320L80.6Confident77.7Confident65 Ų6580.8 Ų80.834%0.3444%0.441SS..  trans-79.3108.5178.5-65.5171.1000110.3Y316 L317 T322 I330Y316-L320 HydrophobicContact CE1-CD1 4.13Å; Y316-L320 PolarHBondContact O-N 2.82Å; L317-L320 HydrophobicContact CD2-CD1 3.99Å; L317-L320 PolarHBondContact O-N 2.94Å; L320-T322 PolarHBondContact O-N 3.23Å; L320-T322 PolarHBondContact O-OG1 3.08Å; L320-I330 HydrophobicContact CD1-CD1 4.41Å
321D56Low77Confident174 Ų17486 Ų8693%0.9346%0.462SS*.  trans-67.5110.8165.2-84.4-27.1000108.8S319S319-D321 PolarHBondContact O-N 2.83Å
322T61.5Low76.3Confident57 Ų5789.2 Ų89.235%0.3548%0.475SS..  trans-127.8140.3-178.316.10000112.4L320 D326 I327 I330L320-T322 PolarHBondContact O-N 3.23Å; L320-T322 PolarHBondContact O-OG1 3.08Å; T322-D326 HydrophobicContact CG2-CB 3.74Å; T322-I327 WeakPolarHBondContact O-CD1 3.36Å; T322-I330 HydrophobicContact CG2-CD1 3.66Å; T322-I330 VanDerWaalsContact OG1-CD1 3.3Å; T322-I330 WeakPolarHBondContact OG1-CD1 3.34Å
323A53.1Low75.7Confident91 Ų9188.4 Ų88.475%0.75247%0.471SS*.  trans-122.3135.6175.100000109.6
324G65.3Low75.2Confident51 Ų5186.7 Ų86.753%0.52646%0.464SS..SBendtrans91.6-149.9176.300000115.1D326 I327G324-D326 PolarHBondContact O-N 3.46Å; G324-I327 WeakPolarHBondContact O-CB 3.17Å; G324-I327 WeakPolarHBondContact O-CG1 3.12Å; G324-I327 PolarHBondContact O-N 3.21Å; G324-I327 VanDerWaalsContact O-N 3.13Å
325D57Low74.6Confident140 Ų14090.9 Ų90.975%0.74949%0.486SS*.THydrogen-bonded Turntrans-62-23.5-171.3-75.6-28.2000114.5I327 N328D325-I327 PolarHBondContact O-N 3.32Å; D325-N328 PolarHBondContact O-N 3.46Å
326D67.3Low74.2Confident99 Ų9987.3 Ų87.353%0.52948%0.478SS..Hα-helixtrans-62.4-24.9175.8-68.1-32.7000112.6T322 G324 N328 T329 I330T322-D326 HydrophobicContact CG2-CB 3.74Å; G324-D326 PolarHBondContact O-N 3.46Å; D326-N328 VanDerWaalsContact C-N 3.34Å; D326-N328 PolarHBondContact O-N 3.03Å; D326-T329 PolarHBondContact O-N 2.74Å; D326-I330 HydrophobicContact CB-CD1 4.39Å; D326-I330 WeakPolarHBondContact O-CB 3.08Å; D326-I330 WeakPolarHBondContact O-CD1 3.09Å; D326-I330 VanDerWaalsContact O-CG1 3.22Å; D326-I330 WeakPolarHBondContact O-CG1 3.45Å; D326-I330 PolarHBondContact O-N 2.92Å
327I75.1Confident73.9Confident57 Ų5782.9 Ų82.929%0.29246%0.463SS..Hα-helixtrans-62.3-40.6-179.9-67.3169.5000111.3T322 G324 D325 K331T322-I327 WeakPolarHBondContact O-CD1 3.36Å; G324-I327 WeakPolarHBondContact O-CB 3.17Å; G324-I327 WeakPolarHBondContact O-CG1 3.12Å; G324-I327 PolarHBondContact O-N 3.21Å; G324-I327 VanDerWaalsContact O-N 3.13Å; D325-I327 PolarHBondContact O-N 3.32Å; I327-K331 HydrophobicContact CG2-CD 3.97Å; I327-K331 HydrophobicContact CG2-CG 4.42Å; I327-K331 VanDerWaalsContact O-CB 3.31Å; I327-K331 WeakPolarHBondContact O-CB 3.42Å; I327-K331 WeakPolarHBondContact O-CG 3.24Å; I327-K331 PolarHBondContact O-N 2.93Å
328N74.9Confident73.5Confident95 Ų9585.2 Ų85.251%0.50848%0.475SS..Hα-helixtrans-72.8-39.4-177-71.1-29.6000111.3D325 D326 K331 N332D325-N328 PolarHBondContact O-N 3.46Å; D326-N328 VanDerWaalsContact C-N 3.34Å; D326-N328 PolarHBondContact O-N 3.03Å; N328-K331 PolarHBondContact O-N 3.41Å; N328-N332 VanDerWaalsContact O-CG 3.3Å; N328-N332 PolarHBondContact O-N 2.93Å; N328-N332 PolarHBondContact O-ND2 3.41Å
329T76.6Confident73.3Confident80 Ų8081.8 Ų81.849%0.49146%0.464SS..Hα-helixtrans-64.8-44.9175.6-52.90000111.2D326 N332 Q333D326-T329 PolarHBondContact O-N 2.74Å; T329-N332 PolarHBondContact O-N 3.29Å; T329-Q333 WeakPolarHBondContact O-CG 3.43Å; T329-Q333 PolarHBondContact O-N 3.43Å
330I78.9Confident73.1Confident23 Ų2378.6 Ų78.612%0.11844%0.442CS..Hα-helixtrans-64.3-43176.7-69.6167.9000110.8L317 L320 T322 D326 N332 Q333 I334L317-I330 HydrophobicContact CB-CG2 4.39Å; L320-I330 HydrophobicContact CD1-CD1 4.41Å; T322-I330 HydrophobicContact CG2-CD1 3.66Å; T322-I330 VanDerWaalsContact OG1-CD1 3.3Å; T322-I330 WeakPolarHBondContact OG1-CD1 3.34Å; D326-I330 HydrophobicContact CB-CD1 4.39Å; D326-I330 WeakPolarHBondContact O-CB 3.08Å; D326-I330 WeakPolarHBondContact O-CD1 3.09Å; D326-I330 VanDerWaalsContact O-CG1 3.22Å; D326-I330 WeakPolarHBondContact O-CG1 3.45Å; D326-I330 PolarHBondContact O-N 2.92Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 3.39Å; I330-Q333 PolarHBondContact O-N 2.65Å; I330-I334 HydrophobicContact CG2-CD1 3.71Å; I330-I334 HydrophobicContact CG2-CG1 4.29Å; I330-I334 WeakPolarHBondContact O-CB 3.25Å; I330-I334 VanDerWaalsContact O-CG1 3.27Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 3.44Å
331K76.9Confident73.4Confident115 Ų11578.8 Ų78.850%0.544%0.44SS..Hα-helixtrans-58-43.7174.3-80.4174.7-179.9177.50111.9I327 N328 I334 N335I327-K331 HydrophobicContact CG2-CD 3.97Å; I327-K331 HydrophobicContact CG2-CG 4.42Å; I327-K331 VanDerWaalsContact O-CB 3.31Å; I327-K331 WeakPolarHBondContact O-CB 3.42Å; I327-K331 WeakPolarHBondContact O-CG 3.24Å; I327-K331 PolarHBondContact O-N 2.93Å; N328-K331 PolarHBondContact O-N 3.41Å; K331-I334 PolarHBondContact O-N 3.2Å; K331-N335 WeakPolarHBondContact O-CB 3.47Å; K331-N335 VanDerWaalsContact O-CG 3.23Å; K331-N335 PolarHBondContact O-N 3.38Å; K331-N335 PolarHBondContact O-ND2 3.05Å
332N77.8Confident74.3Confident106 Ų10675.6 Ų75.657%0.56742%0.418SS*.Hα-helixtrans-63.4-43.6176.9-73.8-18.3000112N328 T329 I330 N335 S336N328-N332 VanDerWaalsContact O-CG 3.3Å; N328-N332 PolarHBondContact O-N 2.93Å; N328-N332 PolarHBondContact O-ND2 3.41Å; T329-N332 PolarHBondContact O-N 3.29Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 3.39Å; N332-N335 PolarHBondContact O-N 3.01Å; N332-S336 PolarHBondContact O-N 3.29Å; N332-S336 PolarHBondContact O-OG 3.41Å
333Q79.6Confident75Confident93 Ų9373.9 Ų73.944%0.43541%0.407SS..Hα-helixtrans-63.3-42.3175.8-71.7177.9-800112.3L317 T329 I330 N335 S336 L337L317-Q333 HydrophobicContact CD1-CB 3.79Å; T329-Q333 WeakPolarHBondContact O-CG 3.43Å; T329-Q333 PolarHBondContact O-N 3.43Å; I330-Q333 PolarHBondContact O-N 2.65Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.47Å; Q333-S336 PolarHBondContact O-N 2.94Å; Q333-L337 WeakPolarHBondContact O-CG 3.2Å; Q333-L337 PolarHBondContact O-N 2.98Å
334I81.1Confident76.2Confident29 Ų2969.6 Ų69.615%0.14937%0.371CS..Hα-helixtrans-59.3-45.9174.8-72.4170.5000110.4L314 L317 R318 I330 K331 S336 L337 L338L314-I334 HydrophobicContact CD2-CB 4.29Å; L314-I334 HydrophobicContact CD2-CG1 4.42Å; L314-I334 HydrophobicContact CD2-CG2 3.9Å; L317-I334 HydrophobicContact CB-CD1 4.28Å; L317-I334 HydrophobicContact CB-CG1 3.95Å; L317-I334 HydrophobicContact CD1-CG1 4.13Å; R318-I334 HydrophobicContact CG-CD1 4.3Å; I330-I334 HydrophobicContact CG2-CD1 3.71Å; I330-I334 HydrophobicContact CG2-CG1 4.29Å; I330-I334 WeakPolarHBondContact O-CB 3.25Å; I330-I334 VanDerWaalsContact O-CG1 3.27Å; I330-I334 WeakPolarHBondContact O-CG1 3.44Å; I330-I334 PolarHBondContact O-N 3.44Å; K331-I334 PolarHBondContact O-N 3.2Å; I334-S336 PolarHBondContact O-N 3.33Å; I334-L337 PolarHBondContact O-N 2.94Å; I334-L338 HydrophobicContact CG2-CD1 3.86Å; I334-L338 HydrophobicContact CG2-CG 4.34Å; I334-L338 WeakPolarHBondContact O-CB 3.44Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.41Å; I334-L338 PolarHBondContact O-N 3.27Å
335N75.5Confident77Confident93 Ų9369.6 Ų69.650%0.49736%0.359SS..Hα-helixtrans-61.9-42.9178.5-71.7-24.9000112K331 N332 Q333 L338 F339K331-N335 WeakPolarHBondContact O-CB 3.47Å; K331-N335 VanDerWaalsContact O-CG 3.23Å; K331-N335 PolarHBondContact O-N 3.38Å; K331-N335 PolarHBondContact O-ND2 3.05Å; N332-N335 PolarHBondContact O-N 3.01Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.47Å; N335-L338 PolarHBondContact O-N 3.03Å; N335-F339 PolarHBondContact O-N 3.42Å
336S78.9Confident77.9Confident73 Ų7365.4 Ų65.451%0.5134%0.341SS..Hα-helixtrans-63.1-43.9176.3-64.50000112.5N332 Q333 I334 F339 V340N332-S336 PolarHBondContact O-N 3.29Å; N332-S336 PolarHBondContact O-OG 3.41Å; Q333-S336 PolarHBondContact O-N 2.94Å; I334-S336 PolarHBondContact O-N 3.33Å; S336-F339 WeakPolarHBondContact O-CB 3.44Å; S336-F339 PolarHBondContact O-N 2.94Å; S336-V340 WeakPolarHBondContact O-CG2 3.04Å; S336-V340 PolarHBondContact O-N 2.86Å
337L83.2Confident78.2Confident40 Ų4062.9 Ų62.921%0.20932%0.324CS..Hα-helixtrans-69.3-36.7178.2-69.4173.1000112.4A310 E313 L314 L317 Q333 I334 F339 V340 K341A310-L337 HydrophobicContact CB-CD2 4.34Å; E313-L337 HydrophobicContact CB-CD1 3.77Å; L314-L337 HydrophobicContact CD1-CB 4.12Å; L314-L337 HydrophobicContact CD2-CB 3.72Å; L314-L337 HydrophobicContact CD2-CD1 4.36Å; L314-L337 HydrophobicContact CG-CB 3.65Å; L314-L337 HydrophobicContact CG-CD1 4.17Å; L317-L337 HydrophobicContact CD1-CD1 3.7Å; Q333-L337 WeakPolarHBondContact O-CG 3.2Å; Q333-L337 PolarHBondContact O-N 2.98Å; I334-L337 PolarHBondContact O-N 2.94Å; L337-F339 VanDerWaalsContact C-N 3.29Å; L337-F339 PolarHBondContact O-N 3.16Å; L337-V340 PolarHBondContact O-N 3.23Å; L337-K341 WeakPolarHBondContact O-CB 3.42Å; L337-K341 PolarHBondContact O-N 3.4Å
338L76.3Confident78.5Confident67 Ų6760.6 Ų60.635%0.35131%0.312SS..Hα-helixtrans-61-40.1172.3-77.5171.9000111.4L314 I334 N335 K342L314-L338 HydrophobicContact CD1-CD2 3.95Å; L314-L338 HydrophobicContact CD1-CG 4.29Å; L314-L338 HydrophobicContact CD2-CD2 4.27Å; L314-L338 HydrophobicContact CD2-CG 3.93Å; I334-L338 HydrophobicContact CG2-CD1 3.86Å; I334-L338 HydrophobicContact CG2-CG 4.34Å; I334-L338 WeakPolarHBondContact O-CB 3.44Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.41Å; I334-L338 PolarHBondContact O-N 3.27Å; N335-L338 PolarHBondContact O-N 3.03Å; L338-K342 WeakPolarHBondContact O-CB 3.4Å; L338-K342 PolarHBondContact O-N 2.98Å
339F79.3Confident78.5Confident89 Ų8962.5 Ų62.539%0.3932%0.318SS..Hα-helixtrans-62-51.3175.1177.9-103.3000111.6Y287 M291 N335 S336 L337 K341 K342 V343Y287-F339 WeakPolarHBondContact OH-CE1 3.26Å; M291-F339 HydrophobicContact CE-CD1 4.27Å; M291-F339 HydrophobicContact CE-CE1 3.6Å; M291-F339 HydrophobicContact CE-CZ 4.39Å; M291-F339 HydrophobicContact SD-CE1 4.22Å; N335-F339 PolarHBondContact O-N 3.42Å; S336-F339 WeakPolarHBondContact O-CB 3.44Å; S336-F339 PolarHBondContact O-N 2.94Å; L337-F339 VanDerWaalsContact C-N 3.29Å; L337-F339 PolarHBondContact O-N 3.16Å; F339-K341 VanDerWaalsContact C-N 3.33Å; F339-K341 PolarHBondContact O-N 2.9Å; F339-K342 PolarHBondContact O-N 3.28Å; F339-K342 VanDerWaalsContact O-N 3.13Å; F339-V343 HydrophobicContact CD1-CG2 4.38Å; F339-V343 HydrophobicContact CD2-CG2 4.47Å; F339-V343 HydrophobicContact CE1-CG2 3.97Å; F339-V343 HydrophobicContact CE2-CG2 4.08Å; F339-V343 HydrophobicContact CZ-CG2 3.82Å; F339-V343 WeakPolarHBondContact O-CG2 3.46Å; F339-V343 PolarHBondContact O-N 3.45Å
340V80.9Confident78.1Confident13 Ų1363.3 Ų63.38%0.07931%0.312CS..Hα-helixtrans-56.5-47.4177.5173.20000111.1F290 M291 I294 V306 S336 L337 K342 V343 C344F290-V340 HydrophobicContact CE1-CG1 4.22Å; F290-V340 HydrophobicContact CE1-CG2 4.19Å; F290-V340 HydrophobicContact CZ-CG1 4.48Å; M291-V340 HydrophobicContact SD-CG2 4.13Å; I294-V340 HydrophobicContact CD1-CG1 4.01Å; V306-V340 HydrophobicContact CG1-CG1 3.98Å; S336-V340 WeakPolarHBondContact O-CG2 3.04Å; S336-V340 PolarHBondContact O-N 2.86Å; L337-V340 PolarHBondContact O-N 3.23Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.43Å; V340-V343 PolarHBondContact O-N 3.38Å; V340-C344 PolarHBondContact O-N 3.43Å; V340-C344 PolarHBondContact O-SG 2.87Å
341K85.9Confident77.8Confident69 Ų6964.3 Ų64.330%0.332%0.317SS..Hα-helixtrans-56.6-47176.6-178.8-177.4178.6-63.20111.6R307 L314 L337 F339 V343 C344 D345R307-K341 HydrophobicContact CG-CG 4.01Å; L314-K341 HydrophobicContact CD1-CD 4.28Å; L337-K341 WeakPolarHBondContact O-CB 3.42Å; L337-K341 PolarHBondContact O-N 3.4Å; F339-K341 VanDerWaalsContact C-N 3.33Å; F339-K341 PolarHBondContact O-N 2.9Å; K341-V343 VanDerWaalsContact C-N 3.34Å; K341-V343 PolarHBondContact O-N 3.31Å; K341-C344 PolarHBondContact O-N 2.95Å; K341-D345 IonicContact NZ-OD2 3.13Å; K341-D345 PolarHBondContact NZ-OD2 3.4Å; K341-D345 WeakPolarHBondContact O-CB 3.29Å; K341-D345 PolarHBondContact O-N 3.24Å
342K76.4Confident77.8Confident108 Ų10864.9 Ų64.947%0.4732%0.322SS..Hα-helixtrans-62.4-40.2179.3-172.9177.9179.5-177.70111.8L338 F339 V340 D345 S346L338-K342 WeakPolarHBondContact O-CB 3.4Å; L338-K342 PolarHBondContact O-N 2.98Å; F339-K342 PolarHBondContact O-N 3.28Å; F339-K342 VanDerWaalsContact O-N 3.13Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.43Å; K342-D345 PolarHBondContact O-N 2.92Å; K342-S346 VanDerWaalsContact O-CB 3.3Å; K342-S346 WeakPolarHBondContact O-CB 3.42Å; K342-S346 PolarHBondContact O-N 3.47Å; K342-S346 PolarHBondContact O-OG 3.03Å
343V74.8Confident77.4Confident21 Ų2163 Ų6313%0.12732%0.317CS..Hα-helixtrans-64.2-45.2176.7175.90000111.1M291 I294 K295 F339 V340 K341 S346 R347M291-V343 HydrophobicContact CE-CB 4.07Å; M291-V343 HydrophobicContact CE-CG1 3.89Å; M291-V343 HydrophobicContact CE-CG2 3.85Å; I294-V343 HydrophobicContact CG2-CG1 3.81Å; K295-V343 HydrophobicContact CG-CG1 4.05Å; F339-V343 HydrophobicContact CD1-CG2 4.38Å; F339-V343 HydrophobicContact CD2-CG2 4.47Å; F339-V343 HydrophobicContact CE1-CG2 3.97Å; F339-V343 HydrophobicContact CE2-CG2 4.08Å; F339-V343 HydrophobicContact CZ-CG2 3.82Å; F339-V343 WeakPolarHBondContact O-CG2 3.46Å; F339-V343 PolarHBondContact O-N 3.45Å; V340-V343 PolarHBondContact O-N 3.38Å; K341-V343 VanDerWaalsContact C-N 3.34Å; K341-V343 PolarHBondContact O-N 3.31Å; V343-S346 PolarHBondContact O-N 3.44Å; V343-R347 PolarHBondContact O-N 3.43Å
344C79.6Confident76.2Confident0 Ų061.6 Ų61.60%033%0.328CS..Hα-helixtrans-59.5-50.9174.1-68.60000111.7R307 V340 K341 S346 R347 I348R307-C344 HydrophobicContact CB-CB 3.89Å; R307-C344 HydrophobicContact CG-CB 4.47Å; V340-C344 PolarHBondContact O-N 3.43Å; V340-C344 PolarHBondContact O-SG 2.87Å; K341-C344 PolarHBondContact O-N 2.95Å; C344-S346 VanDerWaalsContact C-N 3.29Å; C344-S346 PolarHBondContact O-N 3.01Å; C344-R347 PolarHBondContact O-N 3.02Å; C344-R347 VanDerWaalsContact O-N 3.14Å; C344-I348 VanDerWaalsContact O-CG1 3.26Å; C344-I348 WeakPolarHBondContact O-CG1 3.43Å; C344-I348 PolarHBondContact O-N 3.27Å
345D80.9Confident74.6Confident52 Ų5268.4 Ų68.428%0.27836%0.356SS..Hα-helixtrans-57.1-44179.9-74.7-26.9000111.1R307 K341 K342 R347 I348 Q349R307-D345 WeakPolarHBondContact CD-OD1 3.31Å; K341-D345 IonicContact NZ-OD2 3.13Å; K341-D345 PolarHBondContact NZ-OD2 3.4Å; K341-D345 WeakPolarHBondContact O-CB 3.29Å; K341-D345 PolarHBondContact O-N 3.24Å; K342-D345 PolarHBondContact O-N 2.92Å; D345-R347 PolarHBondContact O-N 3.23Å; D345-I348 PolarHBondContact O-N 3.01Å; D345-Q349 WeakPolarHBondContact O-CB 3.07Å; D345-Q349 PolarHBondContact O-N 3.33Å
346S75.3Confident73.1Confident51 Ų5172.8 Ų72.836%0.35737%0.374SS..Hα-helixtrans-66.2-38.5178.9-56.80000112.1K342 V343 C344 R350K342-S346 VanDerWaalsContact O-CB 3.3Å; K342-S346 WeakPolarHBondContact O-CB 3.42Å; K342-S346 PolarHBondContact O-N 3.47Å; K342-S346 PolarHBondContact O-OG 3.03Å; V343-S346 PolarHBondContact O-N 3.44Å; C344-S346 VanDerWaalsContact C-N 3.29Å; C344-S346 PolarHBondContact O-N 3.01Å; S346-R350 VanDerWaalsContact O-CG 3.28Å; S346-R350 WeakPolarHBondContact O-CG 3.48Å; S346-R350 PolarHBondContact O-N 2.89Å; S346-R350 PolarHBondContact O-NE 3Å
347R73.8Confident71.5Confident47 Ų4773.9 Ų73.918%0.17737%0.373CS..Hα-helixtrans-71.2-42176.4-177.464.1179.6163.6-10.8111.9K295 L296 S297 L303 V343 C344 D345 Q349 R350 L351K295-R347 WeakPolarHBondContact O-CD 3.29Å; K295-R347 PolarHBondContact O-NE 3.28Å; L296-R347 PolarHBondContact O-NH2 2.91Å; S297-R347 PolarHBondContact O-NE 3.29Å; S297-R347 PolarHBondContact O-NH2 3.45Å; S297-R347 VanDerWaalsContact O-NH2 3.16Å; L303-R347 HydrophobicContact CD1-CB 3.87Å; L303-R347 HydrophobicContact CD1-CG 3.36Å; L303-R347 HydrophobicContact CD2-CB 4.36Å; L303-R347 HydrophobicContact CD2-CG 4.17Å; L303-R347 HydrophobicContact CG-CG 4.41Å; V343-R347 PolarHBondContact O-N 3.43Å; C344-R347 PolarHBondContact O-N 3.02Å; C344-R347 VanDerWaalsContact O-N 3.14Å; D345-R347 PolarHBondContact O-N 3.23Å; R347-Q349 VanDerWaalsContact C-N 3.35Å; R347-Q349 PolarHBondContact O-N 3.49Å; R347-R350 WeakPolarHBondContact O-CB 3.37Å; R347-R350 PolarHBondContact O-N 3.39Å; R347-L351 HydrophobicContact CG-CD1 4.22Å; R347-L351 WeakPolarHBondContact O-CG 3.46Å; R347-L351 PolarHBondContact O-N 3.11Å
348I81.2Confident69.6Low8 Ų877.2 Ų77.24%0.04139%0.391CS..Hα-helixtrans-58.7-48.5176.4-68.2164.5000110.1I300 L303 E304 C344 D345 R350 L351 Q352I300-I348 HydrophobicContact CG2-CG2 4.34Å; L303-I348 HydrophobicContact CB-CD1 3.83Å; L303-I348 HydrophobicContact CB-CG1 3.6Å; L303-I348 HydrophobicContact CD1-CG1 3.88Å; L303-I348 HydrophobicContact CG-CG1 4.41Å; E304-I348 HydrophobicContact CG-CD1 3.84Å; C344-I348 VanDerWaalsContact O-CG1 3.26Å; C344-I348 WeakPolarHBondContact O-CG1 3.43Å; C344-I348 PolarHBondContact O-N 3.27Å; D345-I348 PolarHBondContact O-N 3.01Å; I348-R350 VanDerWaalsContact C-N 3.27Å; I348-R350 PolarHBondContact O-N 2.6Å; I348-L351 PolarHBondContact O-N 3.11Å; I348-Q352 HydrophobicContact CG2-CG 4.35Å; I348-Q352 WeakPolarHBondContact O-CG 3.47Å; I348-Q352 PolarHBondContact O-N 3Å
349Q76.6Confident68Low135 Ų13575.2 Ų75.263%0.63138%0.381SS*.Hα-helixtrans-61-36.8178.6-168179.713.700112.1D345 R347 S353D345-Q349 WeakPolarHBondContact O-CB 3.07Å; D345-Q349 PolarHBondContact O-N 3.33Å; R347-Q349 VanDerWaalsContact C-N 3.35Å; R347-Q349 PolarHBondContact O-N 3.49Å; Q349-S353 VanDerWaalsContact O-CB 3.29Å; Q349-S353 WeakPolarHBondContact O-CB 3.3Å; Q349-S353 PolarHBondContact O-N 2.98Å; Q349-S353 PolarHBondContact O-OG 3.31Å
350R68.4Low66.1Low98 Ų9875.7 Ų75.737%0.3739%0.391SS..Hα-helixtrans-63.5-48.8173.8-76.2-175-65.9158.2-3.9112S346 R347 I348 Q352 S353 G354S346-R350 VanDerWaalsContact O-CG 3.28Å; S346-R350 WeakPolarHBondContact O-CG 3.48Å; S346-R350 PolarHBondContact O-N 2.89Å; S346-R350 PolarHBondContact O-NE 3Å; R347-R350 WeakPolarHBondContact O-CB 3.37Å; R347-R350 PolarHBondContact O-N 3.39Å; I348-R350 VanDerWaalsContact C-N 3.27Å; I348-R350 PolarHBondContact O-N 2.6Å; R350-Q352 VanDerWaalsContact C-N 3.31Å; R350-Q352 PolarHBondContact O-N 2.74Å; R350-S353 PolarHBondContact O-N 2.94Å; R350-S353 PolarHBondContact O-OG 3.48Å; R350-G354 PolarHBondContact O-N 2.89Å
351L70.8Confident64.3Low43 Ų4382.3 Ų82.323%0.22542%0.419CS..Hα-helixtrans-63.4-36.9-180-68.8172.3000112.3I300 L303 R347 I348I300-L351 HydrophobicContact CD1-CB 4.33Å; I300-L351 HydrophobicContact CG1-CB 4.15Å; I300-L351 HydrophobicContact CG1-CD1 3.97Å; L303-L351 HydrophobicContact CD1-CD1 3.71Å; R347-L351 HydrophobicContact CG-CD1 4.22Å; R347-L351 WeakPolarHBondContact O-CG 3.46Å; R347-L351 PolarHBondContact O-N 3.11Å; I348-L351 PolarHBondContact O-N 3.11Å
352Q77.7Confident62.3Low127 Ų12782.4 Ų82.459%0.59342%0.423SS*.Hα-helixtrans-74.2-33.4178.1-71.1175.2-18.200113.3I300 I348 R350I300-Q352 HydrophobicContact CD1-CG 4.18Å; I348-Q352 HydrophobicContact CG2-CG 4.35Å; I348-Q352 WeakPolarHBondContact O-CG 3.47Å; I348-Q352 PolarHBondContact O-N 3Å; R350-Q352 VanDerWaalsContact C-N 3.31Å; R350-Q352 PolarHBondContact O-N 2.74Å
353S68.9Low60.5Low66 Ų6678.8 Ų78.846%0.46241%0.413SS..Hα-helixtrans-82.3-13.8-176.962.40000114.6Q349 R350 K355Q349-S353 VanDerWaalsContact O-CB 3.29Å; Q349-S353 WeakPolarHBondContact O-CB 3.3Å; Q349-S353 PolarHBondContact O-N 2.98Å; Q349-S353 PolarHBondContact O-OG 3.31Å; R350-S353 PolarHBondContact O-N 2.94Å; R350-S353 PolarHBondContact O-OG 3.48Å; S353-K355 PolarHBondContact O-N 3.37Å
354G55.8Low59Low65 Ų6581.7 Ų81.767%0.6744%0.439SS*.  trans63.29.8176.900000115.2R350R350-G354 PolarHBondContact O-N 2.89Å
355K46.5Very low57.1Low171 Ų17188 Ų8874%0.74347%0.473SS*.  trans-90.9110.5179.5-72.3178.4-178.4173.80109.6S353S353-K355 PolarHBondContact O-N 3.37Å
356E44.8Very low55.1Low185 Ų18588.2 Ų88.286%0.86447%0.471SS*.  trans-56.9150.2159.6-83.1-165.6146.700110.6N358E356-N358 PolarHBondContact O-N 3.36Å
357I44.8Very low53.8Low96 Ų9689 Ų8949%0.49249%0.487SS..  trans-58.3113.1-179.1-58.8170.5000108.3T359I357-T359 HydrophobicContact CB-CG2 4.12Å; I357-T359 HydrophobicContact CG2-CG2 3.57Å; I357-T359 PolarHBondContact O-N 2.92Å
358N43.5Very low52.6Low111 Ų11197.3 Ų97.359%0.59453%0.525SS*.  trans-75.173.3169-124.5-52.9000108.4E356 V360 K361 L362E356-N358 PolarHBondContact O-N 3.36Å; N358-V360 PolarHBondContact O-N 2.87Å; N358-K361 HydrophobicContact CB-CB 4.46Å; N358-K361 PolarHBondContact O-N 3.43Å; N358-L362 PolarHBondContact O-N 3.44Å
359T41.5Very low51.5Low24 Ų2499.6 Ų99.615%0.14754%0.537CS..Hα-helixtrans-51-29.8-174.744.70000112.8I357 L362 A363 R511I357-T359 HydrophobicContact CB-CG2 4.12Å; I357-T359 HydrophobicContact CG2-CG2 3.57Å; I357-T359 PolarHBondContact O-N 2.92Å; T359-L362 PolarHBondContact O-N 2.91Å; T359-A363 WeakPolarHBondContact O-CB 3.38Å; T359-A363 PolarHBondContact O-N 3.47Å; T359-A363 VanDerWaalsContact O-N 3.07Å; T359-R511 HydrophobicContact CG2-CG 3.82Å; T359-R511 PolarHBondContact OG1-NE 2.75Å
360V40.5Very low50.8Low99 Ų9996.2 Ų96.260%0.653%0.528SS*.Hα-helixtrans-71.2-34.6176.7-175.80000113N358 A364N358-V360 PolarHBondContact O-N 2.87Å; V360-A364 WeakPolarHBondContact O-CB 3.34Å; V360-A364 PolarHBondContact O-N 3.45Å
361K43.8Very low50.8Low152 Ų15296 Ų9666%0.66154%0.537SS*.Hα-helixtrans-76.9-28.3175-81.7-175.2174.1179.80112.7N358N358-K361 HydrophobicContact CB-CB 4.46Å; N358-K361 PolarHBondContact O-N 3.43Å
362L42.6Very low50.9Low72 Ų7294.6 Ų94.638%0.37753%0.53SS..Hα-helixtrans-68.7-47.8172.1-130.486.9000109.9N358 T359 A364 N365 F366 L519N358-L362 PolarHBondContact O-N 3.44Å; T359-L362 PolarHBondContact O-N 2.91Å; L362-A364 VanDerWaalsContact C-N 3.33Å; L362-A364 PolarHBondContact O-N 3.38Å; L362-N365 PolarHBondContact O-N 3.4Å; L362-F366 HydrophobicContact CD2-CE2 4.01Å; L362-F366 HydrophobicContact CG-CE2 3.94Å; L362-F366 WeakPolarHBondContact O-CD2 3.48Å; L362-L519 HydrophobicContact CD2-CD1 3.88Å
363A39Very low50.9Low31 Ų3191.4 Ų91.426%0.25652%0.521SS..Hα-helixtrans-57.7-40.3177.800000113.6T359 N365 F366 V510T359-A363 WeakPolarHBondContact O-CB 3.38Å; T359-A363 PolarHBondContact O-N 3.47Å; T359-A363 VanDerWaalsContact O-N 3.07Å; A363-N365 PolarHBondContact O-N 2.95Å; A363-F366 PolarHBondContact O-N 3.39Å; A363-V510 HydrophobicContact CB-CG1 3.92Å; A363-V510 HydrophobicContact CB-CG2 4.18Å
364A43.3Very low51.3Low82 Ų8288.3 Ų88.368%0.67850%0.499SS*.THydrogen-bonded Turntrans-69-18.9-178.100000114.2V360 L362V360-A364 WeakPolarHBondContact O-CB 3.34Å; V360-A364 PolarHBondContact O-N 3.45Å; L362-A364 VanDerWaalsContact C-N 3.33Å; L362-A364 PolarHBondContact O-N 3.38Å
365N39.7Very low52.1Low134 Ų13489.3 Ų89.372%0.71749%0.489SS*.THydrogen-bonded Turntrans-99.3-6.1-178.6-74.5-11.6000113.5L362 A363L362-N365 PolarHBondContact O-N 3.4Å; A363-N365 PolarHBondContact O-N 2.95Å
366F38.4Very low52.9Low55 Ų5583.7 Ų83.724%0.24147%0.471CS..  trans-98.9137.7175.9-74.5-66.6000110.7L362 A363 L519 K520 P522L362-F366 HydrophobicContact CD2-CE2 4.01Å; L362-F366 HydrophobicContact CG-CE2 3.94Å; L362-F366 WeakPolarHBondContact O-CD2 3.48Å; A363-F366 PolarHBondContact O-N 3.39Å; F366-L519 HydrophobicContact CD2-CD2 4.46Å; F366-L519 HydrophobicContact CE2-CB 4.47Å; F366-K520 WeakPolarHBondContact CE1-O 3.11Å; F366-K520 WeakPolarHBondContact CZ-O 3.13Å; F366-P522 HydrophobicContact CE1-CG 3.84Å; F366-P522 HydrophobicContact CZ-CG 3.88Å
367G48.5Very low53.8Low67 Ų6774.9 Ų74.969%0.69143%0.43SS*.SBendtrans-68.3-144.5169.500000112.4L369G367-L369 PolarHBondContact O-N 3.25Å
368K47.3Very low54.5Low223 Ų22370.4 Ų70.497%0.9741%0.407SS*.SBendtrans-51.1108.8175.4-108.7179.7175.9178.90110.6
369L59Low54.8Low55 Ų5569.9 Ų69.929%0.28841%0.407SS..  trans-57.8149.6175.4-72.2152.7000110.8G367 T371 V510 L513 L519G367-L369 PolarHBondContact O-N 3.25Å; L369-T371 PolarHBondContact O-N 2.92Å; L369-V510 HydrophobicContact CD1-CG2 3.86Å; L369-V510 HydrophobicContact CD2-CG1 4.47Å; L369-V510 HydrophobicContact CD2-CG2 4.22Å; L369-L513 HydrophobicContact CB-CD1 4.13Å; L369-L513 HydrophobicContact CD2-CD1 3.86Å; L369-L519 HydrophobicContact CD2-CD2 3.99Å
370C61.1Low55.1Low65 Ų6571.4 Ų71.444%0.43942%0.415SS..  trans-62.3131.2174.6-169.20000109.9Y509 L513 M518C370-Y509 PolarHBondContact O-OH 3.1Å; C370-L513 HydrophobicContact CB-CD2 4.36Å; C370-M518 HydrophobicContact CB-CE 4.37Å
371T69.8Low55.3Low92 Ų9267.9 Ų67.956%0.56439%0.392SS*.  trans-94.2102.2178.153.50000110.3L369 Y509L369-T371 PolarHBondContact O-N 2.92Å; T371-Y509 WeakPolarHBondContact CA-OH 3.5Å
372V72.6Confident55.5Low14 Ų1462.2 Ų62.29%0.08537%0.37CS..  trans-77.4120.7170.4-172.70000109.9I377 Y500 Y509 M512 L513 M518V372-I377 HydrophobicContact CB-CD1 4.29Å; V372-I377 HydrophobicContact CB-CG1 4.19Å; V372-I377 HydrophobicContact CG1-CD1 4.31Å; V372-I377 HydrophobicContact CG1-CG1 3.69Å; V372-Y500 PolarHBondContact O-OH 3.35Å; V372-Y509 PolarHBondContact N-OH 2.93Å; V372-M512 HydrophobicContact CB-CE 4.32Å; V372-M512 HydrophobicContact CG2-CE 4.11Å; V372-L513 HydrophobicContact CG2-CD2 3.64Å; V372-M518 HydrophobicContact CG2-CE 3.73Å; V372-M518 HydrophobicContact CG2-SD 3.6Å
373P77.3Confident55.8Low61 Ų6158.8 Ų58.840%0.39635%0.353SS..  trans-57.6147.9176.4-24.235.1000113.5D375 S376 I377P373-D375 VanDerWaalsContact C-N 3.32Å; P373-D375 WeakPolarHBondContact CB-OD1 3.22Å; P373-D375 PolarHBondContact O-N 3.42Å; P373-S376 WeakPolarHBondContact O-CB 3.37Å; P373-S376 PolarHBondContact O-N 3.19Å; P373-S376 VanDerWaalsContact O-N 3.1Å; P373-I377 WeakPolarHBondContact O-CG1 3.35Å; P373-I377 PolarHBondContact O-N 3.1Å; P373-I377 VanDerWaalsContact O-N 3.11Å
374L78.5Confident56.3Low1 Ų157.4 Ų57.41%0.00534%0.341CS..Hα-helixtrans-62.1-38.3-177.8178.561.3000112.4S376 I377 L378 F387 Y490 M493 L494 Y500L374-S376 VanDerWaalsContact C-N 3.27Å; L374-S376 PolarHBondContact O-N 2.75Å; L374-I377 WeakPolarHBondContact O-CB 3.34Å; L374-I377 PolarHBondContact O-N 2.97Å; L374-I377 VanDerWaalsContact O-N 3.12Å; L374-L378 HydrophobicContact CD1-CD1 4.34Å; L374-L378 HydrophobicContact CD1-CD2 4.38Å; L374-L378 HydrophobicContact CD1-CG 4.07Å; L374-L378 HydrophobicContact CG-CD1 4.05Å; L374-L378 HydrophobicContact CG-CG 4.23Å; L374-L378 VanDerWaalsContact O-CG 3.29Å; L374-L378 WeakPolarHBondContact O-CG 3.43Å; L374-L378 PolarHBondContact O-N 3.38Å; L374-F387 HydrophobicContact CD1-CD1 4.19Å; L374-F387 HydrophobicContact CD1-CE1 3.55Å; L374-F387 HydrophobicContact CD1-CE2 4.4Å; L374-F387 HydrophobicContact CD1-CZ 3.66Å; L374-Y490 HydrophobicContact CB-CE2 4.31Å; L374-Y490 HydrophobicContact CD2-CD2 4.25Å; L374-Y490 HydrophobicContact CD2-CE2 3.86Å; L374-Y490 HydrophobicContact CG-CE2 3.89Å; L374-M493 HydrophobicContact CD2-CB 3.96Å; L374-L494 HydrophobicContact CB-CD1 3.94Å; L374-L494 HydrophobicContact CD2-CB 3.95Å; L374-L494 HydrophobicContact CD2-CD1 4.1Å; L374-Y500 HydrophobicContact CB-CD1 4.42Å; L374-Y500 HydrophobicContact CB-CD2 4.05Å; L374-Y500 HydrophobicContact CB-CE1 4.45Å; L374-Y500 HydrophobicContact CB-CE2 4.13Å; L374-Y500 HydrophobicContact CB-CG 4.2Å; L374-Y500 HydrophobicContact CD1-CD2 3.95Å; L374-Y500 HydrophobicContact CD1-CG 4.31Å; L374-Y500 HydrophobicContact CD2-CG 4.48Å; L374-Y500 HydrophobicContact CG-CD2 4.49Å
375D71.1Confident56.5Low86 Ų8657.2 Ų57.246%0.4633%0.326SS..Hα-helixtrans-58.2-38.1173.952.3-56.7000112.4P373 V379 Y490P373-D375 VanDerWaalsContact C-N 3.32Å; P373-D375 WeakPolarHBondContact CB-OD1 3.22Å; P373-D375 PolarHBondContact O-N 3.42Å; D375-V379 WeakPolarHBondContact O-CG2 3.38Å; D375-Y490 PolarHBondContact N-OH 3.22Å
376S64.6Low57.4Low52 Ų5252.3 Ų52.336%0.36430%0.298SS..Hα-helixtrans-70.5-37.9174.5-52.50000111.6P373 L374 L378 V379 D380P373-S376 WeakPolarHBondContact O-CB 3.37Å; P373-S376 PolarHBondContact O-N 3.19Å; P373-S376 VanDerWaalsContact O-N 3.1Å; L374-S376 VanDerWaalsContact C-N 3.27Å; L374-S376 PolarHBondContact O-N 2.75Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 3.4Å; S376-V379 PolarHBondContact O-N 2.61Å; S376-D380 VanDerWaalsContact O-CB 3.31Å; S376-D380 WeakPolarHBondContact O-CB 3.46Å; S376-D380 PolarHBondContact O-N 3.11Å
377I63.1Low58.7Low0 Ų049.7 Ų49.70%029%0.287CS..Hα-helixtrans-66.1-35.8177.2-65.2169.3000111.8V372 P373 L374 V379 A383 L384 F387 Y500 F503 Y509 M512V372-I377 HydrophobicContact CB-CD1 4.29Å; V372-I377 HydrophobicContact CB-CG1 4.19Å; V372-I377 HydrophobicContact CG1-CD1 4.31Å; V372-I377 HydrophobicContact CG1-CG1 3.69Å; P373-I377 WeakPolarHBondContact O-CG1 3.35Å; P373-I377 PolarHBondContact O-N 3.1Å; P373-I377 VanDerWaalsContact O-N 3.11Å; L374-I377 WeakPolarHBondContact O-CB 3.34Å; L374-I377 PolarHBondContact O-N 2.97Å; L374-I377 VanDerWaalsContact O-N 3.12Å; I377-V379 VanDerWaalsContact C-N 3.27Å; I377-V379 PolarHBondContact O-N 3.45Å; I377-A383 HydrophobicContact CB-CB 4.3Å; I377-A383 HydrophobicContact CG1-CB 4.28Å; I377-A383 HydrophobicContact CG2-CB 4.17Å; I377-L384 WeakPolarHBondContact O-CA 3.5Å; I377-L384 WeakPolarHBondContact O-CB 3.44Å; I377-L384 PolarHBondContact O-N 3.44Å; I377-F387 HydrophobicContact CG2-CB 3.57Å; I377-F387 HydrophobicContact CG2-CD1 4.1Å; I377-F387 HydrophobicContact CG2-CG 3.88Å; I377-Y500 HydrophobicContact CD1-CD2 4.19Å; I377-Y500 HydrophobicContact CD1-CE2 3.65Å; I377-F503 HydrophobicContact CD1-CD1 4.47Å; I377-F503 HydrophobicContact CD1-CE1 4.15Å; I377-Y509 HydrophobicContact CD1-CE2 4.22Å; I377-M512 HydrophobicContact CD1-CE 4.31Å; I377-M512 HydrophobicContact CG1-CE 4.42Å; I377-M512 HydrophobicContact CG1-SD 4.39Å
378L58.4Low58.9Low3 Ų346.8 Ų46.82%0.01626%0.255CS..Hα-helixtrans-75-16.1-178.3-68.8177000113.8L374 S376 L384 F387 L400 W403 Y490 M493L374-L378 HydrophobicContact CD1-CD1 4.34Å; L374-L378 HydrophobicContact CD1-CD2 4.38Å; L374-L378 HydrophobicContact CD1-CG 4.07Å; L374-L378 HydrophobicContact CG-CD1 4.05Å; L374-L378 HydrophobicContact CG-CG 4.23Å; L374-L378 VanDerWaalsContact O-CG 3.29Å; L374-L378 WeakPolarHBondContact O-CG 3.43Å; L374-L378 PolarHBondContact O-N 3.38Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 3.4Å; L378-L384 HydrophobicContact CD2-CD1 4.08Å; L378-F387 HydrophobicContact CD2-CD1 4.22Å; L378-F387 HydrophobicContact CD2-CE1 4.22Å; L378-L400 HydrophobicContact CD2-CD1 3.28Å; L378-W403 HydrophobicContact CB-CE3 4.28Å; L378-W403 HydrophobicContact CB-CH2 3.64Å; L378-W403 HydrophobicContact CB-CZ2 4.15Å; L378-W403 HydrophobicContact CB-CZ3 3.71Å; L378-W403 HydrophobicContact CD1-CD2 3.94Å; L378-W403 HydrophobicContact CD1-CE3 4.21Å; L378-W403 HydrophobicContact CD1-CH2 4.2Å; L378-W403 HydrophobicContact CD1-CZ2 3.9Å; L378-W403 HydrophobicContact CD1-CZ3 4.34Å; L378-W403 HydrophobicContact CD2-CE3 4.38Å; L378-W403 HydrophobicContact CG-CH2 4.5Å; L378-W403 HydrophobicContact CG-CZ3 4.43Å; L378-Y490 HydrophobicContact CD1-CD2 3.72Å; L378-Y490 HydrophobicContact CD1-CE2 3.73Å; L378-M493 HydrophobicContact CD1-CE 4.22Å
379V51Low59.3Low99 Ų9938.5 Ų38.560%0.622%0.222SC*.Hα-helixtrans-104.8-31-178.4178.50000111.9D375 S376 I377D375-V379 WeakPolarHBondContact O-CG2 3.38Å; S376-V379 PolarHBondContact O-N 2.61Å; I377-V379 VanDerWaalsContact C-N 3.27Å; I377-V379 PolarHBondContact O-N 3.45Å
380D47.4Very low60.1Low57 Ų5736.4 Ų36.431%0.30521%0.21SC..  trans-82.7123178.7-177.4-72.9000111.5S376 V382 A383 L384S376-D380 VanDerWaalsContact O-CB 3.31Å; S376-D380 WeakPolarHBondContact O-CB 3.46Å; S376-D380 PolarHBondContact O-N 3.11Å; D380-V382 PolarHBondContact O-N 3.44Å; D380-V382 PolarHBondContact OD1-N 2.74Å; D380-V382 VanDerWaalsContact OD1-N 3.1Å; D380-A383 HydrophobicContact CB-CB 3.84Å; D380-A383 PolarHBondContact O-N 2.97Å; D380-A383 WeakPolarHBondContact OD1-CB 3.47Å; D380-A383 PolarHBondContact OD1-N 3.48Å; D380-L384 WeakPolarHBondContact O-CB 3.33Å; D380-L384 PolarHBondContact O-N 2.98Å
381N44.4Very low60.5Low24 Ų2433.3 Ų33.313%0.12819%0.189CC..Hα-helixtrans-67.6-34.6-170.1-56.3-33.9000112.9Q385 N716 E888N381-Q385 PolarHBondContact O-N 3.37Å; N381-N716 VanDerWaalsContact CG-OD1 3.28Å; N381-N716 PolarHBondContact OD1-ND2 3.5Å; N381-N716 PolarHBondContact OD1-OD1 2.84Å; N381-E888 WeakPolarHBondContact ND2-CG 3.31Å
382V48.2Very low60.2Low33 Ų3332.5 Ų32.520%0.218%0.179CC..Hα-helixtrans-72.4-47.6178178.20000109.1D380 L384 Q385 F386 E515 L516D380-V382 PolarHBondContact O-N 3.44Å; D380-V382 PolarHBondContact OD1-N 2.74Å; D380-V382 VanDerWaalsContact OD1-N 3.1Å; V382-L384 PolarHBondContact O-N 2.93Å; V382-Q385 WeakPolarHBondContact O-CB 3.4Å; V382-Q385 PolarHBondContact O-N 3.34Å; V382-F386 HydrophobicContact CG1-CD2 4.45Å; V382-F386 HydrophobicContact CG1-CE2 4.02Å; V382-F386 WeakPolarHBondContact O-CD2 3.12Å; V382-E515 HydrophobicContact CG1-CB 3.96Å; V382-E515 HydrophobicContact CG1-CG 3.74Å; V382-L516 HydrophobicContact CB-CD2 3.99Å; V382-L516 HydrophobicContact CG1-CD2 4.07Å
383A48.8Very low60.2Low1 Ų138.4 Ų38.41%0.00821%0.206CC..Hα-helixtrans-61.7-44.2178.100000112.6I377 D380 Q385 F386 F387 M512 L516I377-A383 HydrophobicContact CB-CB 4.3Å; I377-A383 HydrophobicContact CG1-CB 4.28Å; I377-A383 HydrophobicContact CG2-CB 4.17Å; D380-A383 HydrophobicContact CB-CB 3.84Å; D380-A383 PolarHBondContact O-N 2.97Å; D380-A383 WeakPolarHBondContact OD1-CB 3.47Å; D380-A383 PolarHBondContact OD1-N 3.48Å; A383-Q385 VanDerWaalsContact C-N 3.27Å; A383-Q385 PolarHBondContact O-N 3.44Å; A383-F386 PolarHBondContact O-N 2.75Å; A383-F387 PolarHBondContact O-N 2.65Å; A383-F387 VanDerWaalsContact O-N 3.11Å; A383-M512 HydrophobicContact CB-CG 4.17Å; A383-M512 HydrophobicContact CB-SD 3.75Å; A383-L516 HydrophobicContact CB-CD1 4.01Å
384L49.5Very low60.1Low1 Ų137.8 Ų37.81%0.00520%0.201CC..Hα-helixtrans-60.4-38.1178.4-178.158000111.2I377 L378 D380 V382 F387 M388 L400 M404 N716I377-L384 WeakPolarHBondContact O-CA 3.5Å; I377-L384 WeakPolarHBondContact O-CB 3.44Å; I377-L384 PolarHBondContact O-N 3.44Å; L378-L384 HydrophobicContact CD2-CD1 4.08Å; D380-L384 WeakPolarHBondContact O-CB 3.33Å; D380-L384 PolarHBondContact O-N 2.98Å; V382-L384 PolarHBondContact O-N 2.93Å; L384-F387 PolarHBondContact O-N 2.92Å; L384-M388 HydrophobicContact CD1-CG 4.09Å; L384-M388 HydrophobicContact CD1-SD 4.49Å; L384-M388 HydrophobicContact CG-CE 4.01Å; L384-M388 HydrophobicContact CG-CG 4.19Å; L384-M388 HydrophobicContact CG-SD 4.13Å; L384-M388 WeakPolarHBondContact O-CB 3.28Å; L384-M388 VanDerWaalsContact O-CG 3.26Å; L384-M388 WeakPolarHBondContact O-CG 3.45Å; L384-M388 PolarHBondContact O-N 3.25Å; L384-L400 HydrophobicContact CD1-CD1 4.1Å; L384-L400 HydrophobicContact CD1-CD2 4.4Å; L384-M404 HydrophobicContact CD1-SD 4.48Å; L384-M404 HydrophobicContact CD2-CE 3.64Å; L384-M404 HydrophobicContact CD2-SD 3.83Å; L384-N716 HydrophobicContact CD2-CB 4.41Å
385Q48.2Very low59.8Low78 Ų7840.7 Ų40.736%0.36423%0.231SC..Hα-helixtrans-58.4-50.9177.7-174.1178.6-22.900111.9N381 V382 A383 F387 M388 D389N381-Q385 PolarHBondContact O-N 3.37Å; V382-Q385 WeakPolarHBondContact O-CB 3.4Å; V382-Q385 PolarHBondContact O-N 3.34Å; A383-Q385 VanDerWaalsContact C-N 3.27Å; A383-Q385 PolarHBondContact O-N 3.44Å; Q385-F387 VanDerWaalsContact C-N 3.28Å; Q385-F387 PolarHBondContact O-N 3.36Å; Q385-M388 HydrophobicContact CB-CE 4.41Å; Q385-M388 PolarHBondContact O-N 3.21Å; Q385-D389 PolarHBondContact O-N 3.24Å; Q385-D389 VanDerWaalsContact O-N 3.09Å
386F58.2Low60Low31 Ų3136.6 Ų36.614%0.13621%0.209CC..Hα-helixtrans-64.5-33.9177.9-70.6-79.6000112.5V382 A383 Y390 F503 L508 R511 M512 E515V382-F386 HydrophobicContact CG1-CD2 4.45Å; V382-F386 HydrophobicContact CG1-CE2 4.02Å; V382-F386 WeakPolarHBondContact O-CD2 3.12Å; A383-F386 PolarHBondContact O-N 2.75Å; F386-Y390 PolarHBondContact O-N 2.73Å; F386-F503 HydrophobicContact CB-CZ 4.09Å; F386-F503 WeakPolarHBondContact O-CE2 3.11Å; F386-L508 HydrophobicContact CD1-CD2 4.32Å; F386-R511 HydrophobicContact CD1-CB 4.17Å; F386-R511 HydrophobicContact CE1-CB 3.63Å; F386-R511 HydrophobicContact CZ-CB 4.24Å; F386-M512 HydrophobicContact CB-CB 3.77Å; F386-M512 HydrophobicContact CB-CG 4.01Å; F386-M512 HydrophobicContact CB-SD 4.4Å; F386-M512 HydrophobicContact CD1-CB 4.39Å; F386-M512 HydrophobicContact CD2-CB 3.61Å; F386-M512 HydrophobicContact CD2-CG 3.74Å; F386-M512 HydrophobicContact CE2-CB 4.31Å; F386-M512 HydrophobicContact CG-CB 3.67Å; F386-M512 HydrophobicContact CG-CG 4.11Å; F386-E515 HydrophobicContact CE2-CB 3.95Å; F386-E515 HydrophobicContact CE2-CG 4.24Å; F386-E515 HydrophobicContact CZ-CB 4.24Å; F386-E515 HydrophobicContact CZ-CG 4.47Å
387F66.3Low60.2Low0 Ų035.2 Ų35.20%020%0.197CC..Hα-helixtrans-72.4-36.7176.4-170.2-124.6000112.5L374 I377 L378 A383 L384 Q385 Y390 M391 L400 F503L374-F387 HydrophobicContact CD1-CD1 4.19Å; L374-F387 HydrophobicContact CD1-CE1 3.55Å; L374-F387 HydrophobicContact CD1-CE2 4.4Å; L374-F387 HydrophobicContact CD1-CZ 3.66Å; I377-F387 HydrophobicContact CG2-CB 3.57Å; I377-F387 HydrophobicContact CG2-CD1 4.1Å; I377-F387 HydrophobicContact CG2-CG 3.88Å; L378-F387 HydrophobicContact CD2-CD1 4.22Å; L378-F387 HydrophobicContact CD2-CE1 4.22Å; A383-F387 PolarHBondContact O-N 2.65Å; A383-F387 VanDerWaalsContact O-N 3.11Å; L384-F387 PolarHBondContact O-N 2.92Å; Q385-F387 VanDerWaalsContact C-N 3.28Å; Q385-F387 PolarHBondContact O-N 3.36Å; F387-Y390 HydrophobicContact CD2-CD1 4.46Å; F387-Y390 HydrophobicContact CE2-CD1 4.42Å; F387-Y390 PolarHBondContact O-N 3.04Å; F387-M391 HydrophobicContact CD1-CG 4.22Å; F387-M391 HydrophobicContact CD2-CG 4.22Å; F387-M391 HydrophobicContact CE1-CG 3.96Å; F387-M391 HydrophobicContact CE1-SD 4.37Å; F387-M391 HydrophobicContact CE2-CG 3.99Å; F387-M391 HydrophobicContact CE2-SD 4.08Å; F387-M391 HydrophobicContact CG-CG 4.35Å; F387-M391 HydrophobicContact CZ-CE 4.39Å; F387-M391 HydrophobicContact CZ-CG 3.85Å; F387-M391 HydrophobicContact CZ-SD 3.81Å; F387-M391 WeakPolarHBondContact O-CB 3.31Å; F387-M391 WeakPolarHBondContact O-CG 3.31Å; F387-M391 PolarHBondContact O-N 3.39Å; F387-L400 HydrophobicContact CD1-CD1 4.22Å; F387-L400 HydrophobicContact CD1-CD2 4.1Å; F387-L400 HydrophobicContact CE1-CD1 4.19Å; F387-L400 HydrophobicContact CE1-CD2 4.45Å; F387-F503 HydrophobicContact CB-CE1 3.87Å; F387-F503 HydrophobicContact CB-CZ 3.94Å; F387-F503 HydrophobicContact CD2-CB 4.16Å; F387-F503 AromaticContact CD2-CD1 3.32Å; F387-F503 HydrophobicContact CD2-CD1 3.32Å; F387-F503 HydrophobicContact CD2-CD2 4.14Å; F387-F503 AromaticContact CD2-CE1 3.55Å; F387-F503 HydrophobicContact CD2-CE1 3.55Å; F387-F503 HydrophobicContact CD2-CE2 4.35Å; F387-F503 AromaticContact CD2-CG 3.62Å; F387-F503 HydrophobicContact CD2-CG 3.62Å; F387-F503 HydrophobicContact CD2-CZ 4.08Å; F387-F503 HydrophobicContact CE2-CB 4.05Å; F387-F503 AromaticContact CE2-CD1 3.87Å; F387-F503 HydrophobicContact CE2-CD1 3.87Å; F387-F503 HydrophobicContact CE2-CG 4.03Å; F387-F503 HydrophobicContact CG-CD1 4.29Å; F387-F503 HydrophobicContact CG-CE1 4.11Å
388M51.9Low60.4Low6 Ų635.6 Ų35.63%0.0320%0.2CC..Hα-helixtrans-61.3-47.7173.9-77.1-174.7-59.800111.5L384 Q385 Y390 M391 Q392 Q397 L400 F401 S720L384-M388 HydrophobicContact CD1-CG 4.09Å; L384-M388 HydrophobicContact CD1-SD 4.49Å; L384-M388 HydrophobicContact CG-CE 4.01Å; L384-M388 HydrophobicContact CG-CG 4.19Å; L384-M388 HydrophobicContact CG-SD 4.13Å; L384-M388 WeakPolarHBondContact O-CB 3.28Å; L384-M388 VanDerWaalsContact O-CG 3.26Å; L384-M388 WeakPolarHBondContact O-CG 3.45Å; L384-M388 PolarHBondContact O-N 3.25Å; Q385-M388 HydrophobicContact CB-CE 4.41Å; Q385-M388 PolarHBondContact O-N 3.21Å; M388-Y390 VanDerWaalsContact C-N 3.26Å; M388-Y390 PolarHBondContact O-N 3.23Å; M388-M391 PolarHBondContact O-N 2.77Å; M388-Q392 PolarHBondContact O-N 2.97Å; M388-Q397 PolarHBondContact O-NE2 3.42Å; M388-Q397 VanDerWaalsContact O-NE2 3.1Å; M388-L400 HydrophobicContact CB-CD2 4.24Å; M388-L400 HydrophobicContact CG-CD2 3.48Å; M388-L400 VanDerWaalsContact CG-CD2 3.48Å; M388-L400 HydrophobicContact CG-CG 4.48Å; M388-F401 HydrophobicContact SD-CE1 4.46Å; M388-S720 WeakPolarHBondContact SD-CB 3.28Å; M388-S720 PolarHBondContact SD-OG 3.46Å
389D56.1Low61.3Low49 Ų4936.1 Ų36.126%0.26220%0.203SC..Hα-helixtrans-58.5-40.2177.4-69.6-12.6000111.4Q385 Q392 Q393 L508Q385-D389 PolarHBondContact O-N 3.24Å; Q385-D389 VanDerWaalsContact O-N 3.09Å; D389-Q392 WeakPolarHBondContact O-CB 3.38Å; D389-Q392 PolarHBondContact O-N 3.08Å; D389-Q393 WeakPolarHBondContact O-CG 3.36Å; D389-Q393 PolarHBondContact O-N 2.88Å; D389-L508 HydrophobicContact CB-CD1 4.08Å
390Y75.7Confident62.2Low12 Ų1231.4 Ų31.45%0.04717%0.174CC..Hα-helixtrans-69.3-43.9175.8176.3-94.6000112.8F386 F387 M388 Q392 Q393 T394 R498 F499 S502 F503 N506F386-Y390 PolarHBondContact O-N 2.73Å; F387-Y390 HydrophobicContact CD2-CD1 4.46Å; F387-Y390 HydrophobicContact CE2-CD1 4.42Å; F387-Y390 PolarHBondContact O-N 3.04Å; M388-Y390 VanDerWaalsContact C-N 3.26Å; M388-Y390 PolarHBondContact O-N 3.23Å; Y390-Q392 PolarHBondContact O-N 3.29Å; Y390-Q393 PolarHBondContact O-N 2.71Å; Y390-Q393 VanDerWaalsContact O-N 3.16Å; Y390-T394 HydrophobicContact CD1-CG2 4.47Å; Y390-T394 HydrophobicContact CE1-CG2 3.84Å; Y390-T394 HydrophobicContact CE2-CG2 3.99Å; Y390-T394 PolarHBondContact O-N 3Å; Y390-T394 VanDerWaalsContact O-N 3.16Å; Y390-T394 PolarHBondContact O-OG1 3.47Å; Y390-R498 PolarHBondContact OH-O 3.22Å; Y390-F499 VanDerWaalsContact CE1-O 3.29Å; Y390-F499 WeakPolarHBondContact CE1-O 2.98Å; Y390-S502 WeakPolarHBondContact OH-CB 3.32Å; Y390-F503 VanDerWaalsContact CB-CD2 3.49Å; Y390-F503 HydrophobicContact CD1-CB 3.67Å; Y390-F503 AromaticContact CD1-CD2 3.72Å; Y390-F503 HydrophobicContact CD1-CD2 3.72Å; Y390-F503 AromaticContact CD1-CG 3.99Å; Y390-F503 HydrophobicContact CD1-CG 3.99Å; Y390-F503 AromaticContact CD2-CD2 3.81Å; Y390-F503 HydrophobicContact CD2-CD2 3.81Å; Y390-F503 HydrophobicContact CE1-CB 3.66Å; Y390-F503 HydrophobicContact CE1-CD2 4.45Å; Y390-F503 HydrophobicContact CE1-CG 4.47Å; Y390-F503 HydrophobicContact CE2-CB 4.49Å; Y390-F503 HydrophobicContact CG-CB 4.13Å; Y390-F503 AromaticContact CG-CD2 3.35Å; Y390-F503 HydrophobicContact CG-CD2 3.35Å; Y390-F503 HydrophobicContact CG-CE2 4.11Å; Y390-F503 HydrophobicContact CG-CG 4.1Å; Y390-F503 PolarHBondContact OH-N 3.38Å; Y390-N506 HydrophobicContact CD2-CB 3.88Å; Y390-N506 WeakPolarHBondContact CD2-ND2 3.27Å; Y390-N506 HydrophobicContact CE2-CB 3.83Å; Y390-N506 WeakPolarHBondContact CE2-ND2 3.38Å
391M69.1Low63Low0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-64.6-26.2177.9-71.2-69-82.100111.7F387 M388 T394 G395 G396 Q397 L400 M493 F499F387-M391 HydrophobicContact CD1-CG 4.22Å; F387-M391 HydrophobicContact CD2-CG 4.22Å; F387-M391 HydrophobicContact CE1-CG 3.96Å; F387-M391 HydrophobicContact CE1-SD 4.37Å; F387-M391 HydrophobicContact CE2-CG 3.99Å; F387-M391 HydrophobicContact CE2-SD 4.08Å; F387-M391 HydrophobicContact CG-CG 4.35Å; F387-M391 HydrophobicContact CZ-CE 4.39Å; F387-M391 HydrophobicContact CZ-CG 3.85Å; F387-M391 HydrophobicContact CZ-SD 3.81Å; F387-M391 WeakPolarHBondContact O-CB 3.31Å; F387-M391 WeakPolarHBondContact O-CG 3.31Å; F387-M391 PolarHBondContact O-N 3.39Å; M388-M391 PolarHBondContact O-N 2.77Å; M391-T394 WeakPolarHBondContact CA-OG1 3.48Å; M391-T394 PolarHBondContact O-OG1 3.14Å; M391-G395 PolarHBondContact O-N 3.49Å; M391-G395 VanDerWaalsContact O-N 3.13Å; M391-G396 VanDerWaalsContact CE-O 3.27Å; M391-G396 WeakPolarHBondContact CE-O 3.42Å; M391-G396 PolarHBondContact O-N 3.28Å; M391-Q397 WeakPolarHBondContact O-CG 3.49Å; M391-L400 HydrophobicContact CB-CD2 4.13Å; M391-L400 HydrophobicContact CE-CB 4.3Å; M391-L400 HydrophobicContact CG-CD2 4.04Å; M391-M493 HydrophobicContact CE-CG 4.06Å; M391-M493 HydrophobicContact CE-SD 4Å; M391-F499 HydrophobicContact CE-CB 4.24Å; M391-F499 HydrophobicContact CE-CD1 3.67Å; M391-F499 HydrophobicContact CE-CE1 4.2Å; M391-F499 HydrophobicContact CE-CG 3.9Å; M391-F499 HydrophobicContact SD-CB 3.78Å; M391-F499 HydrophobicContact SD-CD1 3.38Å; M391-F499 WeakPolarHBondContact SD-CD1 3.47Å; M391-F499 HydrophobicContact SD-CE1 4.27Å; M391-F499 HydrophobicContact SD-CG 3.81Å
392Q64.3Low64.4Low75 Ų7529 Ų2935%0.3516%0.16SC..Hα-helixtrans-63.6-49.7170.7-157.9175.7-27.100112.3M388 D389 Y390 T394 G395 Q397 P722M388-Q392 PolarHBondContact O-N 2.97Å; D389-Q392 WeakPolarHBondContact O-CB 3.38Å; D389-Q392 PolarHBondContact O-N 3.08Å; Y390-Q392 PolarHBondContact O-N 3.29Å; Q392-T394 PolarHBondContact O-N 3.4Å; Q392-G395 PolarHBondContact O-N 2.93Å; Q392-Q397 VanDerWaalsContact CA-CG 3.45Å; Q392-Q397 VanDerWaalsContact CA-NE2 3.32Å; Q392-Q397 HydrophobicContact CB-CG 4.17Å; Q392-Q397 HydrophobicContact CG-CG 4.36Å; Q392-P722 HydrophobicContact CG-CG 4.47Å
393Q72.6Confident65.6Low138 Ų13829 Ų2965%0.64516%0.156SC*.Hα-helixtrans-66.6-27.3-178.1-65.7169.820.300112.3D389 Y390D389-Q393 WeakPolarHBondContact O-CG 3.36Å; D389-Q393 PolarHBondContact O-N 2.88Å; Y390-Q393 PolarHBondContact O-N 2.71Å; Y390-Q393 VanDerWaalsContact O-N 3.16Å
394T75.6Confident66.1Low47 Ų4730.9 Ų30.929%0.28817%0.165SC..Hα-helixtrans-99.7-1.8-176.352.70000114.2Y390 M391 Q392 G396Y390-T394 HydrophobicContact CD1-CG2 4.47Å; Y390-T394 HydrophobicContact CE1-CG2 3.84Å; Y390-T394 HydrophobicContact CE2-CG2 3.99Å; Y390-T394 PolarHBondContact O-N 3Å; Y390-T394 VanDerWaalsContact O-N 3.16Å; Y390-T394 PolarHBondContact O-OG1 3.47Å; M391-T394 WeakPolarHBondContact CA-OG1 3.48Å; M391-T394 PolarHBondContact O-OG1 3.14Å; Q392-T394 PolarHBondContact O-N 3.4Å; T394-G396 VanDerWaalsContact C-N 3.34Å
395G72.4Confident66.6Low63 Ų6333 Ų3365%0.64918%0.179SC*.THydrogen-bonded Turntrans74.218.117900000114.9M391 Q392M391-G395 PolarHBondContact O-N 3.49Å; M391-G395 VanDerWaalsContact O-N 3.13Å; Q392-G395 PolarHBondContact O-N 2.93Å
396G74.2Confident67.5Low0 Ų029.4 Ų29.40%016%0.161CC..  trans-90.35.518000000115.4M391 T394 A398 H399 L400M391-G396 VanDerWaalsContact CE-O 3.27Å; M391-G396 WeakPolarHBondContact CE-O 3.42Å; M391-G396 PolarHBondContact O-N 3.28Å; T394-G396 VanDerWaalsContact C-N 3.34Å; G396-A398 VanDerWaalsContact C-N 3.32Å; G396-A398 PolarHBondContact O-N 3.38Å; G396-H399 PolarHBondContact O-N 3.14Å; G396-L400 PolarHBondContact O-N 3.49Å
397Q67.9Low67.7Low23 Ų2330.6 Ų30.611%0.10717%0.167CC..Hα-helixtrans-59-37.9-170-66.7-121.2-52.700114.3M388 M391 Q392 H399 L400 F401M388-Q397 PolarHBondContact O-NE2 3.42Å; M388-Q397 VanDerWaalsContact O-NE2 3.1Å; M391-Q397 WeakPolarHBondContact O-CG 3.49Å; Q392-Q397 VanDerWaalsContact CA-CG 3.45Å; Q392-Q397 VanDerWaalsContact CA-NE2 3.32Å; Q392-Q397 HydrophobicContact CB-CG 4.17Å; Q392-Q397 HydrophobicContact CG-CG 4.36Å; Q397-H399 VanDerWaalsContact C-N 3.27Å; Q397-H399 PolarHBondContact O-N 3.35Å; Q397-L400 PolarHBondContact O-N 3.2Å; Q397-F401 HydrophobicContact CB-CD2 4.09Å; Q397-F401 HydrophobicContact CB-CE2 3.74Å; Q397-F401 HydrophobicContact CB-CZ 4.43Å; Q397-F401 HydrophobicContact CG-CE2 4.39Å; Q397-F401 WeakPolarHBondContact O-CB 3.37Å; Q397-F401 WeakPolarHBondContact O-CD2 3.3Å; Q397-F401 VanDerWaalsContact O-CG 3.3Å; Q397-F401 WeakPolarHBondContact O-CG 3.09Å; Q397-F401 PolarHBondContact O-N 3.19Å; Q397-F401 VanDerWaalsContact OE1-CE2 3.27Å
398A67.8Low66.8Low7 Ų731.7 Ų31.76%0.05818%0.179CC..Hα-helixtrans-57.8-41.718000000111.9G396 F402 P456 V458G396-A398 VanDerWaalsContact C-N 3.32Å; G396-A398 PolarHBondContact O-N 3.38Å; A398-F402 VanDerWaalsContact O-CB 3.26Å; A398-F402 WeakPolarHBondContact O-CB 3.31Å; A398-F402 PolarHBondContact O-N 3.01Å; A398-P456 HydrophobicContact CB-CB 4.01Å; A398-P456 HydrophobicContact CB-CG 3.87Å; A398-V458 HydrophobicContact CB-CG2 4.08Å; A398-V458 WeakPolarHBondContact O-CG2 3.37Å
399H78.6Confident67.4Low15 Ų1531.9 Ų31.97%0.06918%0.179CC..Hα-helixtrans-67.7-43.8-179.9-58.278000111.7G396 Q397 W403 T459 V489 M493G396-H399 PolarHBondContact O-N 3.14Å; Q397-H399 VanDerWaalsContact C-N 3.27Å; Q397-H399 PolarHBondContact O-N 3.35Å; H399-W403 PolarHBondContact O-N 3.4Å; H399-W403 VanDerWaalsContact O-N 3.16Å; H399-T459 PolarHBondContact NE2-OG1 3.16Å; H399-V489 HydrophobicContact CB-CG1 3.85Å; H399-V489 VanDerWaalsContact O-CG1 3.23Å; H399-V489 WeakPolarHBondContact O-CG1 3.39Å; H399-M493 HydrophobicContact CB-CG 4.18Å; H399-M493 HydrophobicContact CB-SD 4.39Å
400L69.8Low67.9Low0 Ų031.3 Ų31.30%017%0.173CC..Hα-helixtrans-66.9-45.1178.2-17757.4000111.7L378 L384 F387 M388 M391 G396 Q397 W403 M404 M493L378-L400 HydrophobicContact CD2-CD1 3.28Å; L384-L400 HydrophobicContact CD1-CD1 4.1Å; L384-L400 HydrophobicContact CD1-CD2 4.4Å; F387-L400 HydrophobicContact CD1-CD1 4.22Å; F387-L400 HydrophobicContact CD1-CD2 4.1Å; F387-L400 HydrophobicContact CE1-CD1 4.19Å; F387-L400 HydrophobicContact CE1-CD2 4.45Å; M388-L400 HydrophobicContact CB-CD2 4.24Å; M388-L400 HydrophobicContact CG-CD2 3.48Å; M388-L400 VanDerWaalsContact CG-CD2 3.48Å; M388-L400 HydrophobicContact CG-CG 4.48Å; M391-L400 HydrophobicContact CB-CD2 4.13Å; M391-L400 HydrophobicContact CE-CB 4.3Å; M391-L400 HydrophobicContact CG-CD2 4.04Å; G396-L400 PolarHBondContact O-N 3.49Å; Q397-L400 PolarHBondContact O-N 3.2Å; L400-W403 WeakPolarHBondContact O-CB 3.18Å; L400-W403 PolarHBondContact O-N 3.39Å; L400-M404 WeakPolarHBondContact O-CG 3.49Å; L400-M404 PolarHBondContact O-N 3.46Å; L400-M493 HydrophobicContact CB-SD 4.13Å; L400-M493 HydrophobicContact CD1-SD 4.1Å
401F63Low66.7Low30 Ų3033 Ų3313%0.13219%0.185CC..Hα-helixtrans-69.2-34.9179.5-64.8-34.6000113.3M388 Q397 W403 M404 T405 Y449 L721M388-F401 HydrophobicContact SD-CE1 4.46Å; Q397-F401 HydrophobicContact CB-CD2 4.09Å; Q397-F401 HydrophobicContact CB-CE2 3.74Å; Q397-F401 HydrophobicContact CB-CZ 4.43Å; Q397-F401 HydrophobicContact CG-CE2 4.39Å; Q397-F401 WeakPolarHBondContact O-CB 3.37Å; Q397-F401 WeakPolarHBondContact O-CD2 3.3Å; Q397-F401 VanDerWaalsContact O-CG 3.3Å; Q397-F401 WeakPolarHBondContact O-CG 3.09Å; Q397-F401 PolarHBondContact O-N 3.19Å; Q397-F401 VanDerWaalsContact OE1-CE2 3.27Å; F401-W403 VanDerWaalsContact C-N 3.33Å; F401-M404 PolarHBondContact O-N 2.92Å; F401-T405 VanDerWaalsContact O-CB 3.3Å; F401-T405 WeakPolarHBondContact O-CB 3.4Å; F401-T405 PolarHBondContact O-N 3.45Å; F401-T405 PolarHBondContact O-OG1 3.03Å; F401-Y449 HydrophobicContact CB-CE1 4.05Å; F401-L721 HydrophobicContact CD2-CD2 4.35Å; F401-L721 HydrophobicContact CE2-CD2 3.37Å; F401-L721 HydrophobicContact CE2-CG 4.27Å; F401-L721 HydrophobicContact CZ-CD2 3.58Å; F401-L721 HydrophobicContact CZ-CG 4.02Å
402F74.6Confident65.9Low0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-59.7-46170.4173.2-97.6000111.2A398 M404 T405 V406 I445 Y449 L450 V458 F482 I485 V489A398-F402 VanDerWaalsContact O-CB 3.26Å; A398-F402 WeakPolarHBondContact O-CB 3.31Å; A398-F402 PolarHBondContact O-N 3.01Å; F402-M404 PolarHBondContact O-N 3.22Å; F402-T405 PolarHBondContact O-N 2.98Å; F402-V406 HydrophobicContact CD1-CG2 4.42Å; F402-V406 HydrophobicContact CD2-CG2 4.23Å; F402-V406 HydrophobicContact CE1-CG2 4.03Å; F402-V406 HydrophobicContact CE2-CG2 3.81Å; F402-V406 HydrophobicContact CZ-CG2 3.71Å; F402-V406 VanDerWaalsContact O-CG2 3.31Å; F402-V406 WeakPolarHBondContact O-CG2 3.41Å; F402-V406 PolarHBondContact O-N 3.41Å; F402-I445 HydrophobicContact CD2-CG2 4.37Å; F402-I445 HydrophobicContact CE2-CG2 4.1Å; F402-Y449 HydrophobicContact CB-CD1 4.08Å; F402-Y449 HydrophobicContact CB-CG 4.14Å; F402-Y449 HydrophobicContact CD2-CD2 4.17Å; F402-Y449 AromaticContact CD2-CG 3.93Å; F402-Y449 HydrophobicContact CD2-CG 3.93Å; F402-L450 HydrophobicContact CD2-CD2 4.41Å; F402-L450 HydrophobicContact CD2-CG 4.49Å; F402-L450 HydrophobicContact CE2-CD1 3.8Å; F402-L450 HydrophobicContact CE2-CD2 3.94Å; F402-L450 HydrophobicContact CE2-CG 3.89Å; F402-L450 HydrophobicContact CZ-CD1 4.11Å; F402-L450 HydrophobicContact CZ-CD2 4.21Å; F402-L450 HydrophobicContact CZ-CG 4.46Å; F402-V458 HydrophobicContact CB-CG2 3.74Å; F402-V458 HydrophobicContact CG-CG2 4.16Å; F402-F482 HydrophobicContact CZ-CD1 4.48Å; F402-I485 HydrophobicContact CE1-CB 4.41Å; F402-I485 HydrophobicContact CE1-CG2 3.66Å; F402-I485 HydrophobicContact CZ-CB 4.15Å; F402-I485 HydrophobicContact CZ-CG2 3.49Å; F402-I485 VanDerWaalsContact CZ-CG2 3.49Å; F402-V489 HydrophobicContact CD1-CB 4.14Å; F402-V489 HydrophobicContact CD1-CG1 4.13Å; F402-V489 HydrophobicContact CD1-CG2 3.71Å; F402-V489 HydrophobicContact CE1-CB 4.39Å; F402-V489 HydrophobicContact CE1-CG2 3.81Å
403W74.1Confident65.8Low32 Ų3232.9 Ų32.912%0.12119%0.189CC..Hα-helixtrans-59.1-46.5177.8-171.895.6000112.1L378 H399 L400 F401 V406 E407 Q486 M493L378-W403 HydrophobicContact CB-CE3 4.28Å; L378-W403 HydrophobicContact CB-CH2 3.64Å; L378-W403 HydrophobicContact CB-CZ2 4.15Å; L378-W403 HydrophobicContact CB-CZ3 3.71Å; L378-W403 HydrophobicContact CD1-CD2 3.94Å; L378-W403 HydrophobicContact CD1-CE3 4.21Å; L378-W403 HydrophobicContact CD1-CH2 4.2Å; L378-W403 HydrophobicContact CD1-CZ2 3.9Å; L378-W403 HydrophobicContact CD1-CZ3 4.34Å; L378-W403 HydrophobicContact CD2-CE3 4.38Å; L378-W403 HydrophobicContact CG-CH2 4.5Å; L378-W403 HydrophobicContact CG-CZ3 4.43Å; H399-W403 PolarHBondContact O-N 3.4Å; H399-W403 VanDerWaalsContact O-N 3.16Å; L400-W403 WeakPolarHBondContact O-CB 3.18Å; L400-W403 PolarHBondContact O-N 3.39Å; F401-W403 VanDerWaalsContact C-N 3.33Å; W403-V406 PolarHBondContact O-N 3.27Å; W403-E407 HydrophobicContact CD2-CG 4.45Å; W403-E407 HydrophobicContact CE3-CG 4.23Å; W403-E407 HydrophobicContact CH2-CG 3.8Å; W403-E407 HydrophobicContact CZ2-CG 4.05Å; W403-E407 HydrophobicContact CZ3-CG 3.89Å; W403-E407 PolarHBondContact O-N 2.65Å; W403-E407 VanDerWaalsContact O-N 3.12Å; W403-Q486 HydrophobicContact CG-CG 4.26Å; W403-Q486 PolarHBondContact O-NE2 3.21Å; W403-M493 HydrophobicContact CB-CE 3.91Å; W403-M493 HydrophobicContact CG-CE 4Å
404M59.2Low65.2Low42 Ų4230.4 Ų30.421%0.20718%0.178CC..Hα-helixtrans-64.7-41.3177.7-66-59.5-63.400112.7L384 L400 F401 F402 V406 E407 G408 N716L384-M404 HydrophobicContact CD1-SD 4.48Å; L384-M404 HydrophobicContact CD2-CE 3.64Å; L384-M404 HydrophobicContact CD2-SD 3.83Å; L400-M404 WeakPolarHBondContact O-CG 3.49Å; L400-M404 PolarHBondContact O-N 3.46Å; F401-M404 PolarHBondContact O-N 2.92Å; F402-M404 PolarHBondContact O-N 3.22Å; M404-V406 VanDerWaalsContact C-N 3.33Å; M404-V406 PolarHBondContact O-N 3.47Å; M404-E407 PolarHBondContact O-N 3.5Å; M404-G408 PolarHBondContact O-N 3.35Å; M404-N716 HydrophobicContact CE-CB 3.98Å
405T59Low64.2Low46 Ų4632.3 Ų32.328%0.28218%0.184SC..Hα-helixtrans-66.4-38.3-179.7-540000111F401 F402 G408 Y409 I445 Y449F401-T405 VanDerWaalsContact O-CB 3.3Å; F401-T405 WeakPolarHBondContact O-CB 3.4Å; F401-T405 PolarHBondContact O-N 3.45Å; F401-T405 PolarHBondContact O-OG1 3.03Å; F402-T405 PolarHBondContact O-N 2.98Å; T405-G408 PolarHBondContact O-N 2.84Å; T405-Y409 PolarHBondContact O-N 3.14Å; T405-I445 HydrophobicContact CG2-CD1 3.96Å; T405-I445 HydrophobicContact CG2-CG1 3.8Å; T405-Y449 HydrophobicContact CG2-CE2 4.12Å; T405-Y449 PolarHBondContact OG1-OH 3.27Å
406V68Low63.4Low1 Ų131.3 Ų31.31%0.00616%0.162CC..Hα-helixtrans-66.3-42.4175.6170.20000111.6F402 W403 M404 G408 Y409 R410 I445 F482 Q486F402-V406 HydrophobicContact CD1-CG2 4.42Å; F402-V406 HydrophobicContact CD2-CG2 4.23Å; F402-V406 HydrophobicContact CE1-CG2 4.03Å; F402-V406 HydrophobicContact CE2-CG2 3.81Å; F402-V406 HydrophobicContact CZ-CG2 3.71Å; F402-V406 VanDerWaalsContact O-CG2 3.31Å; F402-V406 WeakPolarHBondContact O-CG2 3.41Å; F402-V406 PolarHBondContact O-N 3.41Å; W403-V406 PolarHBondContact O-N 3.27Å; M404-V406 VanDerWaalsContact C-N 3.33Å; M404-V406 PolarHBondContact O-N 3.47Å; V406-G408 VanDerWaalsContact C-N 3.34Å; V406-G408 PolarHBondContact O-N 2.68Å; V406-Y409 WeakPolarHBondContact O-CB 3.18Å; V406-Y409 PolarHBondContact O-N 3.37Å; V406-R410 PolarHBondContact O-N 2.89Å; V406-I445 HydrophobicContact CG2-CG2 4.4Å; V406-F482 HydrophobicContact CB-CB 4.32Å; V406-F482 HydrophobicContact CG1-CB 3.51Å; V406-F482 HydrophobicContact CG1-CD2 4.34Å; V406-F482 HydrophobicContact CG1-CG 4.23Å; V406-F482 HydrophobicContact CG2-CB 3.76Å; V406-F482 HydrophobicContact CG2-CD1 4.36Å; V406-F482 HydrophobicContact CG2-CD2 4.24Å; V406-F482 HydrophobicContact CG2-CG 3.89Å; V406-Q486 HydrophobicContact CB-CG 4.33Å; V406-Q486 HydrophobicContact CG1-CB 4.13Å; V406-Q486 VanDerWaalsContact CG1-CD 3.4Å; V406-Q486 HydrophobicContact CG1-CG 4Å
407E61.4Low62.9Low56 Ų5634.8 Ų34.826%0.26218%0.18SC..Hα-helixtrans-61.1-42.2173.9-79.4-50.5124.800112.1W403 M404 Y409 R410 V411 Q486W403-E407 HydrophobicContact CD2-CG 4.45Å; W403-E407 HydrophobicContact CE3-CG 4.23Å; W403-E407 HydrophobicContact CH2-CG 3.8Å; W403-E407 HydrophobicContact CZ2-CG 4.05Å; W403-E407 HydrophobicContact CZ3-CG 3.89Å; W403-E407 PolarHBondContact O-N 2.65Å; W403-E407 VanDerWaalsContact O-N 3.12Å; M404-E407 PolarHBondContact O-N 3.5Å; E407-Y409 VanDerWaalsContact C-N 3.32Å; E407-Y409 PolarHBondContact O-N 3.33Å; E407-R410 PolarHBondContact O-N 3.2Å; E407-R410 IonicContact OE1-CZ 3.86Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.49Å; E407-R410 IonicContact OE1-NH2 3.64Å; E407-R410 IonicContact OE2-NE 2.68Å; E407-V411 WeakPolarHBondContact O-CG2 3.29Å; E407-V411 PolarHBondContact O-N 3.13Å; E407-Q486 PolarHBondContact OE1-NE2 2.83Å; E407-Q486 PolarHBondContact OE1-OE1 3.31Å
408G48.8Very low62.3Low23 Ų2340.5 Ų40.524%0.23721%0.207CC..Hα-helixtrans-61.1-39.7174.200000113.2M404 T405 V406 T412M404-G408 PolarHBondContact O-N 3.35Å; T405-G408 PolarHBondContact O-N 2.84Å; V406-G408 VanDerWaalsContact C-N 3.34Å; V406-G408 PolarHBondContact O-N 2.68Å; G408-T412 WeakPolarHBondContact O-CB 3.39Å; G408-T412 PolarHBondContact O-N 2.95Å; G408-T412 PolarHBondContact O-OG1 3.44Å
409Y64.3Low61.6Low10 Ų1043.3 Ų43.34%0.03922%0.223CC..Hα-helixtrans-65.4-45.7174.6170.9-91.2000112.1T405 V406 E407 V411 T412 A413 A441 A442 I445 P477 T478 I481 F482T405-Y409 PolarHBondContact O-N 3.14Å; V406-Y409 WeakPolarHBondContact O-CB 3.18Å; V406-Y409 PolarHBondContact O-N 3.37Å; E407-Y409 VanDerWaalsContact C-N 3.32Å; E407-Y409 PolarHBondContact O-N 3.33Å; Y409-V411 PolarHBondContact O-N 2.87Å; Y409-T412 PolarHBondContact O-N 2.98Å; Y409-A413 HydrophobicContact CE1-CB 4.09Å; Y409-A413 WeakPolarHBondContact O-CB 3.43Å; Y409-A413 PolarHBondContact O-N 3.42Å; Y409-A441 HydrophobicContact CD2-CB 4.22Å; Y409-A441 HydrophobicContact CE2-CB 4.28Å; Y409-A442 HydrophobicContact CE2-CB 3.94Å; Y409-I445 HydrophobicContact CD2-CD1 4Å; Y409-I445 HydrophobicContact CG-CD1 3.88Å; Y409-P477 WeakPolarHBondContact OH-CB 3.32Å; Y409-T478 WeakPolarHBondContact CE1-O 3.49Å; Y409-T478 PolarHBondContact OH-O 3.4Å; Y409-I481 HydrophobicContact CE1-CG2 3.7Å; Y409-F482 AromaticContact CD1-CD2 3.75Å; Y409-F482 HydrophobicContact CD1-CD2 3.75Å; Y409-F482 AromaticContact CD1-CE2 3.73Å; Y409-F482 HydrophobicContact CD1-CE2 3.73Å; Y409-F482 HydrophobicContact CD2-CE2 4.49Å; Y409-F482 HydrophobicContact CE1-CD2 4Å; Y409-F482 AromaticContact CE1-CE2 3.84Å; Y409-F482 HydrophobicContact CE1-CE2 3.84Å; Y409-F482 HydrophobicContact CG-CD2 4.43Å; Y409-F482 HydrophobicContact CG-CE2 4.09Å
410R65.7Low60.5Low37 Ų3744.2 Ų44.214%0.1423%0.229CC..Hα-helixtrans-54.8-50.8-179.5-176.1-165.9-61.9-78.2-3.9111.2V406 E407 T412 A413 Q414 P479 D483V406-R410 PolarHBondContact O-N 2.89Å; E407-R410 PolarHBondContact O-N 3.2Å; E407-R410 IonicContact OE1-CZ 3.86Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.49Å; E407-R410 IonicContact OE1-NH2 3.64Å; E407-R410 IonicContact OE2-NE 2.68Å; R410-T412 VanDerWaalsContact C-N 3.35Å; R410-T412 PolarHBondContact O-N 3.32Å; R410-A413 PolarHBondContact O-N 3.21Å; R410-Q414 WeakPolarHBondContact O-CB 3.43Å; R410-Q414 WeakPolarHBondContact O-CG 3.37Å; R410-Q414 PolarHBondContact O-N 3.09Å; R410-P479 HydrophobicContact CG-CB 4.27Å; R410-D483 IonicContact CZ-OD1 3.9Å; R410-D483 IonicContact CZ-OD2 2.99Å; R410-D483 IonicContact NH1-OD1 3.69Å; R410-D483 PolarHBondContact NH1-OD1 3.37Å; R410-D483 IonicContact NH1-OD2 3.89Å; R410-D483 PolarHBondContact NH1-OD2 3.44Å; R410-D483 VanDerWaalsContact NH1-OD2 3.16Å; R410-D483 IonicContact NH2-OD1 3.15Å; R410-D483 PolarHBondContact NH2-OD1 3.17Å; R410-D483 IonicContact NH2-OD2 3.15Å
411V51.1Low59.7Low48 Ų4850.1 Ų50.129%0.29126%0.259SS..Hα-helixtrans-63-43.1179.6178.50000111.1E407 Y409 Q414 Q415E407-V411 WeakPolarHBondContact O-CG2 3.29Å; E407-V411 PolarHBondContact O-N 3.13Å; Y409-V411 PolarHBondContact O-N 2.87Å; V411-Q414 PolarHBondContact O-N 3.34Å; V411-Q415 WeakPolarHBondContact O-CG 3.49Å; V411-Q415 PolarHBondContact O-N 2.73Å
412T51.2Low59Low71 Ų7153.4 Ų53.444%0.43629%0.286SS..Hα-helixtrans-63.4-45178.5-56.40000111.3G408 Y409 R410 Q415 Q416G408-T412 WeakPolarHBondContact O-CB 3.39Å; G408-T412 PolarHBondContact O-N 2.95Å; G408-T412 PolarHBondContact O-OG1 3.44Å; Y409-T412 PolarHBondContact O-N 2.98Å; R410-T412 VanDerWaalsContact C-N 3.35Å; R410-T412 PolarHBondContact O-N 3.32Å; T412-Q415 PolarHBondContact O-N 3Å; T412-Q416 VanDerWaalsContact O-CG 3.26Å; T412-Q416 WeakPolarHBondContact O-CG 3.33Å; T412-Q416 PolarHBondContact O-N 3.23Å
413A62Low57.9Low1 Ų160.5 Ų60.51%0.00831%0.313CS..Hα-helixtrans-64.3-42.8178.400000111.8Y409 R410 Q416 L417 L438 P479Y409-A413 HydrophobicContact CE1-CB 4.09Å; Y409-A413 WeakPolarHBondContact O-CB 3.43Å; Y409-A413 PolarHBondContact O-N 3.42Å; R410-A413 PolarHBondContact O-N 3.21Å; A413-Q416 PolarHBondContact O-N 3.04Å; A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 3.2Å; A413-L438 HydrophobicContact CB-CD2 4.02Å; A413-P479 HydrophobicContact CB-CB 3.83Å; A413-P479 HydrophobicContact CB-CG 3.79Å
414Q61.4Low56.7Low87 Ų8767 Ų6741%0.40735%0.345SS..Hα-helixtrans-60.2-47.4176.3-77.3174-11.700112R410 V411 Q416 L417 E418 P479R410-Q414 WeakPolarHBondContact O-CB 3.43Å; R410-Q414 WeakPolarHBondContact O-CG 3.37Å; R410-Q414 PolarHBondContact O-N 3.09Å; V411-Q414 PolarHBondContact O-N 3.34Å; Q414-Q416 PolarHBondContact O-N 3.17Å; Q414-L417 PolarHBondContact O-N 3Å; Q414-E418 WeakPolarHBondContact O-CB 3.29Å; Q414-E418 PolarHBondContact O-N 2.76Å; Q414-P479 HydrophobicContact CG-CB 3.69Å; Q414-P479 HydrophobicContact CG-CG 3.77Å
415Q55Low56.1Low87 Ų8776.4 Ų76.441%0.40738%0.378SS..Hα-helixtrans-63.4-42.2179-72.1175.8100112.2V411 T412 L417 E418 V419V411-Q415 WeakPolarHBondContact O-CG 3.49Å; V411-Q415 PolarHBondContact O-N 2.73Å; T412-Q415 PolarHBondContact O-N 3Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; Q415-E418 PolarHBondContact O-N 3.13Å; Q415-V419 VanDerWaalsContact O-CG2 3.29Å; Q415-V419 WeakPolarHBondContact O-CG2 3.45Å; Q415-V419 PolarHBondContact O-N 3.24Å; Q415-V419 VanDerWaalsContact O-N 3.14Å
416Q55Low55.3Low42 Ų4281.1 Ų81.120%0.19640%0.401CS..Hα-helixtrans-67.3-35.6177.6-67.9-59.4-51.600112T412 A413 Q414 L420 T434 L438T412-Q416 VanDerWaalsContact O-CG 3.26Å; T412-Q416 WeakPolarHBondContact O-CG 3.33Å; T412-Q416 PolarHBondContact O-N 3.23Å; A413-Q416 PolarHBondContact O-N 3.04Å; Q414-Q416 PolarHBondContact O-N 3.17Å; Q416-L420 VanDerWaalsContact O-CG 3.29Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 2.94Å; Q416-L420 VanDerWaalsContact O-N 3.14Å; Q416-T434 HydrophobicContact CB-CG2 4.08Å; Q416-T434 HydrophobicContact CG-CG2 4.44Å; Q416-L438 HydrophobicContact CB-CD1 4.29Å; Q416-L438 HydrophobicContact CB-CD2 4.41Å; Q416-L438 HydrophobicContact CG-CD2 4.45Å
417L63.8Low54.3Low73 Ų7384 Ų8438%0.38243%0.431SS..Hα-helixtrans-72.5-36.6178.1-14576.5000112.3A413 Q414 Q415 V419 L420 L421A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 3.2Å; Q414-L417 PolarHBondContact O-N 3Å; Q415-L417 VanDerWaalsContact C-N 3.34Å; L417-V419 VanDerWaalsContact C-N 3.35Å; L417-L420 HydrophobicContact CD1-CD1 4.28Å; L417-L420 WeakPolarHBondContact O-CB 3.21Å; L417-L420 PolarHBondContact O-N 3.11Å; L417-L421 WeakPolarHBondContact O-CG 3.27Å; L417-L421 PolarHBondContact O-N 2.91Å
418E54.5Low53.7Low142 Ų14290.1 Ų90.166%0.66446%0.457SS*.Hα-helixtrans-65-38.9174.8-165.6175.3-172.400111.6Q414 Q415 L420 L421 S422Q414-E418 WeakPolarHBondContact O-CB 3.29Å; Q414-E418 PolarHBondContact O-N 2.76Å; Q415-E418 PolarHBondContact O-N 3.13Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 3.04Å; E418-L421 PolarHBondContact O-N 2.96Å; E418-S422 PolarHBondContact O-N 3.17Å; E418-S422 VanDerWaalsContact O-N 3.16Å
419V53.1Low53.5Low67 Ų6797.4 Ų97.441%0.40648%0.484SS..Hα-helixtrans-63.3-39.1171.9171.60000111.6Q415 L417 S422Q415-V419 VanDerWaalsContact O-CG2 3.29Å; Q415-V419 WeakPolarHBondContact O-CG2 3.45Å; Q415-V419 PolarHBondContact O-N 3.24Å; Q415-V419 VanDerWaalsContact O-N 3.14Å; L417-V419 VanDerWaalsContact C-N 3.35Å; V419-S422 PolarHBondContact O-N 3.23Å; V419-S422 PolarHBondContact O-OG 3.37Å
420L55Low52.8Low34 Ų34102.6 Ų102.618%0.17851%0.509CS..Hα-helixtrans-66.6-38.9177-72.8167.3000112.7Q416 L417 E418 S422 R423 T431 T434Q416-L420 VanDerWaalsContact O-CG 3.29Å; Q416-L420 WeakPolarHBondContact O-CG 3.45Å; Q416-L420 PolarHBondContact O-N 2.94Å; Q416-L420 VanDerWaalsContact O-N 3.14Å; L417-L420 HydrophobicContact CD1-CD1 4.28Å; L417-L420 WeakPolarHBondContact O-CB 3.21Å; L417-L420 PolarHBondContact O-N 3.11Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 3.04Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.19Å; L420-R423 PolarHBondContact O-N 3.46Å; L420-T431 HydrophobicContact CD2-CG2 3.87Å; L420-T434 HydrophobicContact CD1-CG2 4.19Å
421L53Low52.1Low124 Ų124103.4 Ų103.465%0.64952%0.518SS*.Hα-helixtrans-67.2-30.2176.2-71.8166.6000112.4L417 E418 R423L417-L421 WeakPolarHBondContact O-CG 3.27Å; L417-L421 PolarHBondContact O-N 2.91Å; E418-L421 PolarHBondContact O-N 2.96Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.46Å
422S49.5Very low52.4Low99 Ų99106.4 Ų106.469%0.69253%0.532SS*.Hα-helixtrans-73.3-19.7177.778.60000114.6E418 V419 L420E418-S422 PolarHBondContact O-N 3.17Å; E418-S422 VanDerWaalsContact O-N 3.16Å; V419-S422 PolarHBondContact O-N 3.23Å; V419-S422 PolarHBondContact O-OG 3.37Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.19Å
423R51.2Low52.6Low148 Ų148109.5 Ų109.556%0.55854%0.542SS*.THydrogen-bonded Turntrans-116.214.2-165-138.3173-173.11760.1115.2L420 L421 R425 D426L420-R423 PolarHBondContact O-N 3.46Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.46Å; R423-R425 PolarHBondContact O-N 3.24Å; R423-D426 PolarHBondContact O-N 3.44Å
424Q48Very low52.4Low169 Ų169110.8 Ų110.879%0.7955%0.55SS*.THydrogen-bonded Turntrans-72.325.3-171.2-140.2178.212.200116
425R46.7Very low52.4Low240 Ų240110.2 Ų110.291%0.90655%0.546SS*.THydrogen-bonded Turntrans-116.2-12.4172.4-87.2-170.6-171.2178.44.1116R423R423-R425 PolarHBondContact O-N 3.24Å
426D41.8Very low52.9Low144 Ų144107.9 Ų107.977%0.7755%0.545SS*.SBendtrans-125.297.9178.6-79.9-33000112.3R423R423-D426 PolarHBondContact O-N 3.44Å
427G47.8Very low53.3Low61 Ų61111.3 Ų111.363%0.62956%0.564SS**  trans82.7127.6154.800000119H429G427-H429 VanDerWaalsContact C-N 3.32Å; G427-H429 PolarHBondContact O-N 2.83Å
428K48.3Very low53.4Low186 Ų186108.4 Ų108.481%0.80955%0.549SS*.THydrogen-bonded Turntrans-72.5-6.2178.7-78.8179.8174178.60116.2T431K428-T431 PolarHBondContact O-OG1 3.47Å
429H45.9Very low54.4Low175 Ų175105.3 Ų105.381%0.8153%0.531SS*.THydrogen-bonded Turntrans-87.9-29.5-170.7-82.7-73000114.6G427G427-H429 VanDerWaalsContact C-N 3.32Å; G427-H429 PolarHBondContact O-N 2.83Å
430Q48Very low55.1Low120 Ų120105.3 Ų105.356%0.56154%0.538SS*.Hα-helixtrans-85.2-27-174.5-134.9155.61900112.7N432 Q433Q430-N432 VanDerWaalsContact C-N 3.32Å; Q430-N432 PolarHBondContact O-N 3.31Å; Q430-Q433 PolarHBondContact O-N 2.89Å
431T52.7Low55.5Low53 Ų53105.9 Ų105.933%0.32555%0.547SS..Hα-helixtrans-63.1-33.317645.80000113.1L420 K428 K435L420-T431 HydrophobicContact CD2-CG2 3.87Å; K428-T431 PolarHBondContact O-OG1 3.47Å; T431-K435 WeakPolarHBondContact O-CB 3.36Å; T431-K435 VanDerWaalsContact O-CG 3.25Å; T431-K435 WeakPolarHBondContact O-CG 3.43Å; T431-K435 PolarHBondContact O-N 3.49Å
432N55.7Low56.3Low111 Ų111100 Ų10059%0.59452%0.517SS*.Hα-helixtrans-73.6-30.3179.7-74.4-9.3000112.9Q430 G436Q430-N432 VanDerWaalsContact C-N 3.32Å; Q430-N432 PolarHBondContact O-N 3.31Å; N432-G436 PolarHBondContact O-N 3.39Å
433Q57.2Low57.6Low137 Ų13797.5 Ų97.564%0.6450%0.497SS*.Hα-helixtrans-73.3-44.7-179.3-166.9176.5900111.7Q430 G436 L437Q430-Q433 PolarHBondContact O-N 2.89Å; Q433-G436 PolarHBondContact O-N 2.85Å; Q433-L437 PolarHBondContact O-N 3.17Å; Q433-L437 VanDerWaalsContact O-N 3.08Å
434T55.9Low58.5Low28 Ų2891.8 Ų91.817%0.17249%0.485CS..Hα-helixtrans-64-40.5175.7-52.80000111.9Q416 L420 G436 L437 L438Q416-T434 HydrophobicContact CB-CG2 4.08Å; Q416-T434 HydrophobicContact CG-CG2 4.44Å; L420-T434 HydrophobicContact CD1-CG2 4.19Å; T434-G436 VanDerWaalsContact C-N 3.32Å; T434-G436 PolarHBondContact O-N 3.28Å; T434-L437 PolarHBondContact O-N 3.04Å; T434-L438 PolarHBondContact O-N 3.4Å; T434-L438 VanDerWaalsContact O-N 3.11Å
435K63Low59.4Low75 Ų7584.3 Ų84.333%0.32645%0.45SS..Hα-helixtrans-62.4-38.2172.9-74.7178166-148.90112.5T431 L437 L438 R439 D476T431-K435 WeakPolarHBondContact O-CB 3.36Å; T431-K435 VanDerWaalsContact O-CG 3.25Å; T431-K435 WeakPolarHBondContact O-CG 3.43Å; T431-K435 PolarHBondContact O-N 3.49Å; K435-L437 VanDerWaalsContact C-N 3.34Å; K435-L437 PolarHBondContact O-N 2.98Å; K435-L438 PolarHBondContact O-N 3.26Å; K435-R439 PolarHBondContact O-N 3.38Å; K435-D476 WeakPolarHBondContact CD-OD2 3.22Å; K435-D476 WeakPolarHBondContact CE-OD2 3.46Å; K435-D476 IonicContact NZ-OD2 3.11Å; K435-D476 PolarHBondContact NZ-OD2 3.08Å
436G64.6Low61Low38 Ų3875.4 Ų75.439%0.39242%0.417SS..Hα-helixtrans-62.1-38.2173.700000113.3N432 Q433 T434 R439 A440N432-G436 PolarHBondContact O-N 3.39Å; Q433-G436 PolarHBondContact O-N 2.85Å; T434-G436 VanDerWaalsContact C-N 3.32Å; T434-G436 PolarHBondContact O-N 3.28Å; G436-R439 PolarHBondContact O-N 2.97Å; G436-A440 PolarHBondContact O-N 3.4Å
437L63.4Low62.7Low113 Ų11374 Ų7459%0.59241%0.406SS*.Hα-helixtrans-67.9-43.2176.1-68.4170.8000112.4Q433 T434 K435 R439 A440 A441Q433-L437 PolarHBondContact O-N 3.17Å; Q433-L437 VanDerWaalsContact O-N 3.08Å; T434-L437 PolarHBondContact O-N 3.04Å; K435-L437 VanDerWaalsContact C-N 3.34Å; K435-L437 PolarHBondContact O-N 2.98Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 2.85Å; L437-A440 PolarHBondContact O-N 3.08Å; L437-A441 PolarHBondContact O-N 2.85Å
438L67Low63.5Low12 Ų1275 Ų756%0.06339%0.394CS..Hα-helixtrans-62.9-39.5175.5-68.9175000111.5A413 Q416 T434 K435 A441 A442 P477A413-L438 HydrophobicContact CB-CD2 4.02Å; Q416-L438 HydrophobicContact CB-CD1 4.29Å; Q416-L438 HydrophobicContact CB-CD2 4.41Å; Q416-L438 HydrophobicContact CG-CD2 4.45Å; T434-L438 PolarHBondContact O-N 3.4Å; T434-L438 VanDerWaalsContact O-N 3.11Å; K435-L438 PolarHBondContact O-N 3.26Å; L438-A441 PolarHBondContact O-N 2.95Å; L438-A442 WeakPolarHBondContact O-CB 3.28Å; L438-A442 PolarHBondContact O-N 2.66Å; L438-P477 HydrophobicContact CB-CG 3.99Å
439R74.9Confident64.6Low78 Ų7867.3 Ų67.329%0.29436%0.36SS..Hα-helixtrans-63.4-44.6173.7-171.9176.4-88.8121.91112.1K435 G436 L437 A441 A442 V443 E475 D476 P477K435-R439 PolarHBondContact O-N 3.38Å; G436-R439 PolarHBondContact O-N 2.97Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 2.85Å; R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.8Å; R439-A442 PolarHBondContact O-N 3.17Å; R439-V443 HydrophobicContact CG-CG2 4.37Å; R439-V443 WeakPolarHBondContact O-CB 3.44Å; R439-V443 VanDerWaalsContact O-CG2 3.26Å; R439-V443 WeakPolarHBondContact O-CG2 3.29Å; R439-V443 PolarHBondContact O-N 3.38Å; R439-E475 PolarHBondContact NH2-O 2.86Å; R439-D476 IonicContact CZ-OD1 2.83Å; R439-D476 IonicContact NH1-OD1 2.8Å; R439-D476 PolarHBondContact NH1-OD1 3.09Å; R439-D476 IonicContact NH2-OD1 3.16Å; R439-D476 PolarHBondContact NH2-OD1 3.37Å; R439-P477 HydrophobicContact CB-CG 4.17Å
440A68.2Low66.3Low66 Ų6659 Ų5955%0.54532%0.321SS..Hα-helixtrans-61.6-40.9176.100000112.5G436 L437 G444G436-A440 PolarHBondContact O-N 3.4Å; L437-A440 PolarHBondContact O-N 3.08Å; A440-G444 PolarHBondContact O-N 3.34Å
441A62.8Low67.9Low46 Ų4654.3 Ų54.338%0.3830%0.302SS..Hα-helixtrans-65.4-45.9176.700000112.1Y409 L437 L438 R439 G444 I445Y409-A441 HydrophobicContact CD2-CB 4.22Å; Y409-A441 HydrophobicContact CE2-CB 4.28Å; L437-A441 PolarHBondContact O-N 2.85Å; L438-A441 PolarHBondContact O-N 2.95Å; R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.8Å; A441-G444 PolarHBondContact O-N 3.07Å; A441-I445 WeakPolarHBondContact O-CG1 3.3Å; A441-I445 PolarHBondContact O-N 2.9Å; A441-I445 VanDerWaalsContact O-N 3.09Å
442A70.3Confident69Low0 Ų060 Ų600%033%0.325CS..Hα-helixtrans-65.9-40.1179.500000112.3Y409 L438 R439 G444 I445 Y446 L472 P477 F482Y409-A442 HydrophobicContact CE2-CB 3.94Å; L438-A442 WeakPolarHBondContact O-CB 3.28Å; L438-A442 PolarHBondContact O-N 2.66Å; R439-A442 PolarHBondContact O-N 3.17Å; A442-G444 VanDerWaalsContact C-N 3.35Å; A442-I445 PolarHBondContact O-N 3.3Å; A442-Y446 PolarHBondContact O-N 2.84Å; A442-Y446 VanDerWaalsContact O-N 3.12Å; A442-L472 HydrophobicContact CB-CD2 3.55Å; A442-P477 HydrophobicContact CB-CB 3.95Å; A442-P477 HydrophobicContact CB-CG 4.39Å; A442-F482 HydrophobicContact CB-CE2 4.12Å; A442-F482 HydrophobicContact CB-CZ 3.99Å; A442-F482 WeakPolarHBondContact O-CZ 3.16Å
443V75.7Confident69.8Low47 Ų4764 Ų6429%0.28534%0.337SS..Hα-helixtrans-64.7-39.4173.3172.30000111.2R439 I445 Y446 E447R439-V443 HydrophobicContact CG-CG2 4.37Å; R439-V443 WeakPolarHBondContact O-CB 3.44Å; R439-V443 VanDerWaalsContact O-CG2 3.26Å; R439-V443 WeakPolarHBondContact O-CG2 3.29Å; R439-V443 PolarHBondContact O-N 3.38Å; V443-I445 PolarHBondContact O-N 3.19Å; V443-Y446 WeakPolarHBondContact O-CB 3.42Å; V443-Y446 PolarHBondContact O-N 2.95Å; V443-E447 HydrophobicContact CG1-CG 4.31Å; V443-E447 WeakPolarHBondContact O-CG 3.37Å; V443-E447 PolarHBondContact O-N 3.4Å
444G69.8Low70.4Confident29 Ų2958.2 Ų58.230%0.29931%0.313SS..Hα-helixtrans-59.4-42.4175.400000113.2A440 A441 A442 E447 Q448A440-G444 PolarHBondContact O-N 3.34Å; A441-G444 PolarHBondContact O-N 3.07Å; A442-G444 VanDerWaalsContact C-N 3.35Å; G444-E447 PolarHBondContact O-N 3.17Å; G444-Q448 VanDerWaalsContact O-CB 3.24Å; G444-Q448 WeakPolarHBondContact O-CB 3.34Å; G444-Q448 PolarHBondContact O-N 2.99Å
445I68.4Low70.9Confident11 Ų1161.9 Ų61.96%0.05634%0.339CS..Hα-helixtrans-64.4-42.4176.1-64.5170.4000110.9F402 T405 V406 Y409 A441 A442 V443 Q448 Y449 F482F402-I445 HydrophobicContact CD2-CG2 4.37Å; F402-I445 HydrophobicContact CE2-CG2 4.1Å; T405-I445 HydrophobicContact CG2-CD1 3.96Å; T405-I445 HydrophobicContact CG2-CG1 3.8Å; V406-I445 HydrophobicContact CG2-CG2 4.4Å; Y409-I445 HydrophobicContact CD2-CD1 4Å; Y409-I445 HydrophobicContact CG-CD1 3.88Å; A441-I445 WeakPolarHBondContact O-CG1 3.3Å; A441-I445 PolarHBondContact O-N 2.9Å; A441-I445 VanDerWaalsContact O-N 3.09Å; A442-I445 PolarHBondContact O-N 3.3Å; V443-I445 PolarHBondContact O-N 3.19Å; I445-Q448 PolarHBondContact O-N 3.4Å; I445-Y449 HydrophobicContact CG2-CD2 4.28Å; I445-Y449 PolarHBondContact O-N 3.04Å; I445-Y449 VanDerWaalsContact O-N 3.15Å; I445-F482 HydrophobicContact CB-CE1 4.26Å; I445-F482 HydrophobicContact CB-CE2 4.48Å; I445-F482 HydrophobicContact CB-CZ 3.85Å; I445-F482 HydrophobicContact CD1-CE2 4.02Å; I445-F482 HydrophobicContact CD1-CZ 4.24Å; I445-F482 HydrophobicContact CG2-CD1 4.47Å; I445-F482 HydrophobicContact CG2-CE1 3.87Å; I445-F482 HydrophobicContact CG2-CE2 4.44Å; I445-F482 HydrophobicContact CG2-CZ 3.87Å
446Y79.8Confident70.9Confident54 Ų5461.5 Ų61.521%0.21234%0.344CS..Iπ-helixtrans-60.7-48.5176.1174.9-91.3000111.8A442 V443 Q448 L450 S451 V465 L468 A469 L472A442-Y446 PolarHBondContact O-N 2.84Å; A442-Y446 VanDerWaalsContact O-N 3.12Å; V443-Y446 WeakPolarHBondContact O-CB 3.42Å; V443-Y446 PolarHBondContact O-N 2.95Å; Y446-Q448 VanDerWaalsContact C-N 3.34Å; Y446-Q448 PolarHBondContact O-N 3.05Å; Y446-L450 HydrophobicContact CD2-CB 4.06Å; Y446-L450 HydrophobicContact CD2-CD1 4.28Å; Y446-L450 HydrophobicContact CE2-CB 4.35Å; Y446-L450 CarbonylContact O-C 3.55Å; Y446-L450 WeakPolarHBondContact O-CA 3.37Å; Y446-L450 PolarHBondContact O-N 3.01Å; Y446-S451 PolarHBondContact O-N 2.62Å; Y446-V465 HydrophobicContact CE2-CG1 3.76Å; Y446-L468 HydrophobicContact CD2-CD2 4.06Å; Y446-L468 HydrophobicContact CD2-CG 4.38Å; Y446-A469 HydrophobicContact CE2-CB 3.74Å; Y446-A469 WeakPolarHBondContact OH-CB 3.42Å; Y446-L472 HydrophobicContact CD2-CD1 4.25Å; Y446-L472 HydrophobicContact CG-CD1 4.12Å
447E77.1Confident71.5Confident114 Ų11463.8 Ų63.853%0.53334%0.341SS..Iπ-helixtrans-64.4-37.3179.6-73-172.2163.900112.9V443 G444 S451V443-E447 HydrophobicContact CG1-CG 4.31Å; V443-E447 WeakPolarHBondContact O-CG 3.37Å; V443-E447 PolarHBondContact O-N 3.4Å; G444-E447 PolarHBondContact O-N 3.17Å; E447-S451 WeakPolarHBondContact O-CB 3.32Å
448Q65Low72.5Confident81 Ų8158.5 Ų58.538%0.37931%0.314SS..Iπ-helixtrans-74.3-38.2-175.8-177.6174.1-6.800113.5G444 I445 Y446 A454G444-Q448 VanDerWaalsContact O-CB 3.24Å; G444-Q448 WeakPolarHBondContact O-CB 3.34Å; G444-Q448 PolarHBondContact O-N 2.99Å; I445-Q448 PolarHBondContact O-N 3.4Å; Y446-Q448 VanDerWaalsContact C-N 3.34Å; Y446-Q448 PolarHBondContact O-N 3.05Å; Q448-A454 VanDerWaalsContact O-CB 3.28Å; Q448-A454 WeakPolarHBondContact O-CB 3.27Å
449Y70.8Confident73Confident25 Ų2562.3 Ų62.310%0.09834%0.337CS..Iπ-helixtrans-119-28-168.5-66.4-75.5000114.6F401 F402 T405 I445 V458F401-Y449 HydrophobicContact CB-CE1 4.05Å; F402-Y449 HydrophobicContact CB-CD1 4.08Å; F402-Y449 HydrophobicContact CB-CG 4.14Å; F402-Y449 HydrophobicContact CD2-CD2 4.17Å; F402-Y449 AromaticContact CD2-CG 3.93Å; F402-Y449 HydrophobicContact CD2-CG 3.93Å; T405-Y449 HydrophobicContact CG2-CE2 4.12Å; T405-Y449 PolarHBondContact OG1-OH 3.27Å; I445-Y449 HydrophobicContact CG2-CD2 4.28Å; I445-Y449 PolarHBondContact O-N 3.04Å; I445-Y449 VanDerWaalsContact O-N 3.15Å; Y449-V458 HydrophobicContact CD1-CG2 4.14Å; Y449-V458 HydrophobicContact CG-CG2 4.48Å; Y449-V458 PolarHBondContact O-N 3.36Å
450L81.9Confident73.3Confident0 Ų059.7 Ų59.70%033%0.33CS..Iπ-helixtrans-113.6-26.4-168.6-59.3177.4000113.7F402 Y446 R457 V458 V465 L468 I485F402-L450 HydrophobicContact CD2-CD2 4.41Å; F402-L450 HydrophobicContact CD2-CG 4.49Å; F402-L450 HydrophobicContact CE2-CD1 3.8Å; F402-L450 HydrophobicContact CE2-CD2 3.94Å; F402-L450 HydrophobicContact CE2-CG 3.89Å; F402-L450 HydrophobicContact CZ-CD1 4.11Å; F402-L450 HydrophobicContact CZ-CD2 4.21Å; F402-L450 HydrophobicContact CZ-CG 4.46Å; Y446-L450 HydrophobicContact CD2-CB 4.06Å; Y446-L450 HydrophobicContact CD2-CD1 4.28Å; Y446-L450 HydrophobicContact CE2-CB 4.35Å; Y446-L450 CarbonylContact O-C 3.55Å; Y446-L450 WeakPolarHBondContact O-CA 3.37Å; Y446-L450 PolarHBondContact O-N 3.01Å; L450-R457 PolarHBondContact O-NE 2.76Å; L450-V458 HydrophobicContact CD2-CB 4.27Å; L450-V465 HydrophobicContact CB-CG1 4.14Å; L450-V465 HydrophobicContact CD2-CG2 4.47Å; L450-L468 HydrophobicContact CD1-CD2 3.53Å; L450-I485 HydrophobicContact CD1-CD1 3.76Å; L450-I485 HydrophobicContact CD1-CG2 4.31Å; L450-I485 HydrophobicContact CD2-CG2 4.02Å
451S81.7Confident74.2Confident22 Ų2261.1 Ų61.115%0.15433%0.329CS..SBendtrans-58150177.9175.70000112.6Y446 E447 K453 A454 R457Y446-S451 PolarHBondContact O-N 2.62Å; E447-S451 WeakPolarHBondContact O-CB 3.32Å; S451-K453 PolarHBondContact O-N 2.93Å; S451-K453 VanDerWaalsContact O-N 3.09Å; S451-K453 PolarHBondContact OG-N 3.39Å; S451-A454 WeakPolarHBondContact O-CB 3.39Å; S451-A454 PolarHBondContact O-N 3.4Å; S451-R457 WeakPolarHBondContact O-CD 3.32Å; S451-R457 PolarHBondContact O-NE 3.09Å
452E75.8Confident75Confident173 Ų17364.1 Ų64.181%0.80834%0.338SS*.THydrogen-bonded Turntrans-59.5-20.4173.3-63.8-176.1167.600113.1
453K72.1Confident75.8Confident196 Ų19672 Ų7285%0.85237%0.369SS*.THydrogen-bonded Turntrans-91.6-3.3177.2-61.3179-177.8173.60113.6S451S451-K453 PolarHBondContact O-N 2.93Å; S451-K453 VanDerWaalsContact O-N 3.09Å; S451-K453 PolarHBondContact OG-N 3.39Å
454A71.3Confident76.3Confident15 Ų1571 Ų7112%0.12436%0.362CS..  trans-70139.1-179.900000111.3Q448 S451 R457Q448-A454 VanDerWaalsContact O-CB 3.28Å; Q448-A454 WeakPolarHBondContact O-CB 3.27Å; S451-A454 WeakPolarHBondContact O-CB 3.39Å; S451-A454 PolarHBondContact O-N 3.4Å; A454-R457 HydrophobicContact CB-CB 4.1Å; A454-R457 HydrophobicContact CB-CG 4.26Å
455S64.6Low77Confident104 Ų10470 Ų7073%0.72735%0.35SS*.THydrogen-bonded Turntrans-146.4111.8175.6177.30000110.3
456P63.2Low77.8Confident67 Ų6772.2 Ų72.244%0.43537%0.37SS..THydrogen-bonded Turncis-76.6132.1-1.728.5-31.5000113.1A398A398-P456 HydrophobicContact CB-CB 4.01Å; A398-P456 HydrophobicContact CB-CG 3.87Å
457R78Confident78.1Confident87 Ų8774.4 Ų74.433%0.32838%0.381SS..PPolyproline II helixtrans-80.2138.1177.8-172.9176.2178.3-147.8-12.4111.3L450 S451 A454 T459 D462L450-R457 PolarHBondContact O-NE 2.76Å; S451-R457 WeakPolarHBondContact O-CD 3.32Å; S451-R457 PolarHBondContact O-NE 3.09Å; A454-R457 HydrophobicContact CB-CB 4.1Å; A454-R457 HydrophobicContact CB-CG 4.26Å; R457-T459 PolarHBondContact O-N 3.18Å; R457-D462 IonicContact NH2-OD1 2.75Å; R457-D462 PolarHBondContact NH2-OD1 2.71Å; R457-D462 VanDerWaalsContact NH2-OD1 3.08Å
458V83.3Confident78.5Confident2 Ų269.4 Ų69.41%0.01236%0.357CS..PPolyproline II helixtrans-76.6122.6173.6-173.40000109.2A398 F402 Y449 L450 V460 V489A398-V458 HydrophobicContact CB-CG2 4.08Å; A398-V458 WeakPolarHBondContact O-CG2 3.37Å; F402-V458 HydrophobicContact CB-CG2 3.74Å; F402-V458 HydrophobicContact CG-CG2 4.16Å; Y449-V458 HydrophobicContact CD1-CG2 4.14Å; Y449-V458 HydrophobicContact CG-CG2 4.48Å; Y449-V458 PolarHBondContact O-N 3.36Å; L450-V458 HydrophobicContact CD2-CB 4.27Å; V458-V460 HydrophobicContact CB-CG2 4.44Å; V458-V460 HydrophobicContact CG1-CG2 3.66Å; V458-V460 PolarHBondContact O-N 3.48Å; V458-V489 HydrophobicContact CG1-CG1 4.48Å; V458-V489 HydrophobicContact CG1-CG2 3.63Å
459T77.8Confident79.4Confident92 Ų9266.4 Ų66.456%0.56435%0.347SS*.  trans-79.8103179.555.50000110.5H399 R457 L492H399-T459 PolarHBondContact NE2-OG1 3.16Å; R457-T459 PolarHBondContact O-N 3.18Å; T459-L492 WeakPolarHBondContact O-CD1 3.44Å
460V82.9Confident80Confident23 Ų2369.7 Ų69.714%0.13937%0.366CS..  trans-135.6163.3175.9-163.10000108.6V458 D462 I485 K488 V489V458-V460 HydrophobicContact CB-CG2 4.44Å; V458-V460 HydrophobicContact CG1-CG2 3.66Å; V458-V460 PolarHBondContact O-N 3.48Å; V460-D462 PolarHBondContact O-N 3.2Å; V460-I485 HydrophobicContact CB-CG2 4.35Å; V460-I485 HydrophobicContact CG1-CG2 4.07Å; V460-I485 HydrophobicContact CG2-CG2 4.02Å; V460-K488 HydrophobicContact CG1-CB 3.72Å; V460-K488 HydrophobicContact CG1-CG 4.41Å; V460-V489 HydrophobicContact CG2-CG2 3.54Å
461D85.2Confident80Confident96 Ų9671.3 Ų71.351%0.51338%0.376SS..  trans-51.5119.1177.3-171-18.9000111.8Y463 L464 V465D461-Y463 PolarHBondContact O-N 3.37Å; D461-Y463 VanDerWaalsContact O-N 3.16Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.47Å; D461-Y463 PolarHBondContact OD1-N 3.38Å; D461-L464 HydrophobicContact CB-CD1 4.17Å; D461-L464 HydrophobicContact CB-CG 4.21Å; D461-L464 PolarHBondContact O-N 3.16Å; D461-V465 PolarHBondContact O-N 3.46Å
462D81.4Confident80.1Confident108 Ų10870.6 Ų70.658%0.57837%0.37SS*.Hα-helixtrans-59.4-26.3-178.1-72.9-43.5000112.1R457 V460 V465 A466R457-D462 IonicContact NH2-OD1 2.75Å; R457-D462 PolarHBondContact NH2-OD1 2.71Å; R457-D462 VanDerWaalsContact NH2-OD1 3.08Å; V460-D462 PolarHBondContact O-N 3.2Å; D462-V465 PolarHBondContact O-N 3.19Å; D462-A466 WeakPolarHBondContact O-CB 3.27Å; D462-A466 PolarHBondContact O-N 3.46Å
463Y86.3Confident80.3Confident166 Ų16668.3 Ų68.365%0.65136%0.364SS*.Hα-helixtrans-63.7-41.5173.2174.9-101.7000112.1D461 K467D461-Y463 PolarHBondContact O-N 3.37Å; D461-Y463 VanDerWaalsContact O-N 3.16Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.47Å; D461-Y463 PolarHBondContact OD1-N 3.38Å; Y463-K467 WeakPolarHBondContact O-CB 3.21Å; Y463-K467 PolarHBondContact O-N 3.5Å
464L85.5Confident80.5Confident26 Ų2665.6 Ų65.614%0.13635%0.354CS..Hα-helixtrans-71.8-36179.5-65.5177.2000111.7D461 K467 L468 I485 K488D461-L464 HydrophobicContact CB-CD1 4.17Å; D461-L464 HydrophobicContact CB-CG 4.21Å; D461-L464 PolarHBondContact O-N 3.16Å; L464-K467 PolarHBondContact O-N 3.31Å; L464-L468 WeakPolarHBondContact O-CB 3.46Å; L464-L468 PolarHBondContact O-N 3.44Å; L464-I485 HydrophobicContact CB-CG1 4.09Å; L464-K488 HydrophobicContact CD1-CG 3.78Å
465V85.4Confident80.9Confident7 Ų770.7 Ų70.74%0.04238%0.375CS..Hα-helixtrans-66.1-43.6175.3179.50000110.5Y446 L450 D461 D462 L468 A469 I485Y446-V465 HydrophobicContact CE2-CG1 3.76Å; L450-V465 HydrophobicContact CB-CG1 4.14Å; L450-V465 HydrophobicContact CD2-CG2 4.47Å; D461-V465 PolarHBondContact O-N 3.46Å; D462-V465 PolarHBondContact O-N 3.19Å; V465-L468 PolarHBondContact O-N 3.33Å; V465-A469 WeakPolarHBondContact O-CB 3.38Å; V465-A469 PolarHBondContact O-N 3.47Å; V465-I485 HydrophobicContact CG2-CD1 4.46Å
466A84.1Confident81.4Confident59 Ų5969 Ų6949%0.48836%0.358SS..Hα-helixtrans-64.3-41.3175.600000112.3D462 A469 D470D462-A466 WeakPolarHBondContact O-CB 3.27Å; D462-A466 PolarHBondContact O-N 3.46Å; A466-A469 PolarHBondContact O-N 3.39Å; A466-D470 PolarHBondContact O-N 3.07Å
467K86.6Confident82Confident100 Ų10066.2 Ų66.244%0.43534%0.34SS..Hα-helixtrans-60.5-47.2174.4-176.7-173.5173.4-163.70111.4Y463 L464 A469 D470 T471 D484Y463-K467 WeakPolarHBondContact O-CB 3.21Å; Y463-K467 PolarHBondContact O-N 3.5Å; L464-K467 PolarHBondContact O-N 3.31Å; K467-A469 VanDerWaalsContact C-N 3.35Å; K467-A469 PolarHBondContact O-N 2.86Å; K467-D470 PolarHBondContact O-N 3.06Å; K467-T471 PolarHBondContact O-N 3.27Å; K467-T471 PolarHBondContact O-OG1 2.89Å; K467-D484 IonicContact NZ-OD2 3.37Å
468L86.1Confident82.1Confident8 Ų865.3 Ų65.34%0.04234%0.344CS..Hα-helixtrans-61.9-42.4177.2174.266000111.8Y446 L450 L464 V465 D470 T471 L472 I481 F482 I485Y446-L468 HydrophobicContact CD2-CD2 4.06Å; Y446-L468 HydrophobicContact CD2-CG 4.38Å; L450-L468 HydrophobicContact CD1-CD2 3.53Å; L464-L468 WeakPolarHBondContact O-CB 3.46Å; L464-L468 PolarHBondContact O-N 3.44Å; V465-L468 PolarHBondContact O-N 3.33Å; L468-D470 VanDerWaalsContact C-N 3.31Å; L468-D470 PolarHBondContact O-N 2.85Å; L468-T471 PolarHBondContact O-N 3.29Å; L468-L472 HydrophobicContact CD1-CD1 4.1Å; L468-L472 HydrophobicContact CD1-CG 4.11Å; L468-L472 HydrophobicContact CG-CD1 3.94Å; L468-L472 HydrophobicContact CG-CG 4.39Å; L468-L472 WeakPolarHBondContact O-CB 3.29Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.32Å; L468-L472 PolarHBondContact O-N 2.86Å; L468-I481 HydrophobicContact CD1-CD1 4.12Å; L468-I481 HydrophobicContact CD1-CG1 3.62Å; L468-F482 HydrophobicContact CD1-CD1 4.29Å; L468-F482 HydrophobicContact CD1-CE1 4.28Å; L468-F482 HydrophobicContact CD2-CD1 3.66Å; L468-F482 HydrophobicContact CD2-CE1 3.62Å; L468-I485 HydrophobicContact CB-CD1 3.92Å; L468-I485 HydrophobicContact CD2-CD1 3.46Å; L468-I485 VanDerWaalsContact CD2-CD1 3.46Å; L468-I485 HydrophobicContact CG-CD1 4.3Å
469A82.9Confident81.8Confident19 Ų1965.5 Ų65.516%0.15735%0.345CS..Hα-helixtrans-60.8-41.5177.100000111.7Y446 V465 A466 K467 N473Y446-A469 HydrophobicContact CE2-CB 3.74Å; Y446-A469 WeakPolarHBondContact OH-CB 3.42Å; V465-A469 WeakPolarHBondContact O-CB 3.38Å; V465-A469 PolarHBondContact O-N 3.47Å; A466-A469 PolarHBondContact O-N 3.39Å; K467-A469 VanDerWaalsContact C-N 3.35Å; K467-A469 PolarHBondContact O-N 2.86Å; A469-N473 PolarHBondContact O-N 3.48Å; A469-N473 PolarHBondContact O-ND2 2.85Å
470D83.2Confident82.1Confident93 Ų9365.2 Ų65.250%0.49734%0.338SS..Hα-helixtrans-65.5-44.3176-169.353000111.9A466 K467 L468 L472 N473 H474A466-D470 PolarHBondContact O-N 3.07Å; K467-D470 PolarHBondContact O-N 3.06Å; L468-D470 VanDerWaalsContact C-N 3.31Å; L468-D470 PolarHBondContact O-N 2.85Å; D470-L472 PolarHBondContact O-N 2.92Å; D470-N473 PolarHBondContact O-N 3.49Å; D470-H474 PolarHBondContact O-N 3.26Å; D470-H474 PolarHBondContact O-ND1 2.89Å; D470-H474 IonicContact OD1-CE1 2.84Å; D470-H474 PolarHBondContact OD1-CE1 3.36Å; D470-H474 IonicContact OD1-ND1 2.68Å; D470-H474 PolarHBondContact OD1-ND1 3.4Å; D470-H474 VanDerWaalsContact OD1-ND1 3.15Å
471T83.6Confident82.2Confident35 Ų3565.3 Ų65.322%0.21534%0.337CS..Hα-helixtrans-62.3-41.4176.1-54.80000112.3K467 L468 N473 H474 E475 I481K467-T471 PolarHBondContact O-N 3.27Å; K467-T471 PolarHBondContact O-OG1 2.89Å; L468-T471 PolarHBondContact O-N 3.29Å; T471-N473 PolarHBondContact O-N 3.26Å; T471-H474 PolarHBondContact O-N 3.12Å; T471-E475 HydrophobicContact CG2-CB 4.08Å; T471-E475 HydrophobicContact CG2-CG 4.46Å; T471-E475 WeakPolarHBondContact O-CA 3.4Å; T471-E475 WeakPolarHBondContact O-CB 3.23Å; T471-E475 PolarHBondContact O-N 2.66Å; T471-I481 HydrophobicContact CG2-CD1 4.26Å
472L83.2Confident82.2Confident6 Ų660.8 Ų60.83%0.03131%0.313CS..Hα-helixtrans-64.4-29.5178.2-75.8169.5000113.3A442 Y446 L468 D470 P477 I481A442-L472 HydrophobicContact CB-CD2 3.55Å; Y446-L472 HydrophobicContact CD2-CD1 4.25Å; Y446-L472 HydrophobicContact CG-CD1 4.12Å; L468-L472 HydrophobicContact CD1-CD1 4.1Å; L468-L472 HydrophobicContact CD1-CG 4.11Å; L468-L472 HydrophobicContact CG-CD1 3.94Å; L468-L472 HydrophobicContact CG-CG 4.39Å; L468-L472 WeakPolarHBondContact O-CB 3.29Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.32Å; L468-L472 PolarHBondContact O-N 2.86Å; D470-L472 PolarHBondContact O-N 2.92Å; L472-P477 HydrophobicContact CD2-CB 4.38Å; L472-I481 HydrophobicContact CD2-CD1 3.49Å; L472-I481 VanDerWaalsContact CD2-CD1 3.49Å; L472-I481 HydrophobicContact CG-CD1 4.04Å
473N79.9Confident82.5Confident125 Ų12557.5 Ų57.567%0.66830%0.295SS*.Hα-helixtrans-81.4-29.7179.4-73.6-36.1000113.2A469 D470 T471A469-N473 PolarHBondContact O-N 3.48Å; A469-N473 PolarHBondContact O-ND2 2.85Å; D470-N473 PolarHBondContact O-N 3.49Å; T471-N473 PolarHBondContact O-N 3.26Å
474H76.6Confident82.5Confident140 Ų14052.9 Ų52.965%0.64828%0.282SS*.Hα-helixtrans-111.6-24.7-171.6-63.593.1000114.5D470 T471D470-H474 PolarHBondContact O-N 3.26Å; D470-H474 PolarHBondContact O-ND1 2.89Å; D470-H474 IonicContact OD1-CE1 2.84Å; D470-H474 PolarHBondContact OD1-CE1 3.36Å; D470-H474 IonicContact OD1-ND1 2.68Å; D470-H474 PolarHBondContact OD1-ND1 3.4Å; D470-H474 VanDerWaalsContact OD1-ND1 3.15Å; T471-H474 PolarHBondContact O-N 3.12Å
475E78.7Confident82.6Confident121 Ų12151.9 Ų51.957%0.56528%0.277SS*.SBendtrans-120.7156-174.1-60.8-173.5178.700112R439 T471R439-E475 PolarHBondContact NH2-O 2.86Å; T471-E475 HydrophobicContact CG2-CB 4.08Å; T471-E475 HydrophobicContact CG2-CG 4.46Å; T471-E475 WeakPolarHBondContact O-CA 3.4Å; T471-E475 WeakPolarHBondContact O-CB 3.23Å; T471-E475 PolarHBondContact O-N 2.66Å
476D74.6Confident82.6Confident68 Ų6852.1 Ų52.136%0.36428%0.277SS..PPolyproline II helixtrans-75.8133.8173.1-75.1-21.3000109.2K435 R439 T478K435-D476 WeakPolarHBondContact CD-OD2 3.22Å; K435-D476 WeakPolarHBondContact CE-OD2 3.46Å; K435-D476 IonicContact NZ-OD2 3.11Å; K435-D476 PolarHBondContact NZ-OD2 3.08Å; R439-D476 IonicContact CZ-OD1 2.83Å; R439-D476 IonicContact NH1-OD1 2.8Å; R439-D476 PolarHBondContact NH1-OD1 3.09Å; R439-D476 IonicContact NH2-OD1 3.16Å; R439-D476 PolarHBondContact NH2-OD1 3.37Å; D476-T478 PolarHBondContact O-N 2.87Å
477P76.9Confident82.8Confident10 Ų1055.5 Ų55.57%0.06528%0.277CS..PPolyproline II helixtrans-73.5128.1-171.234.4-40.7000111.2Y409 L438 R439 A442 L472 I481Y409-P477 WeakPolarHBondContact OH-CB 3.32Å; L438-P477 HydrophobicContact CB-CG 3.99Å; R439-P477 HydrophobicContact CB-CG 4.17Å; A442-P477 HydrophobicContact CB-CB 3.95Å; A442-P477 HydrophobicContact CB-CG 4.39Å; L472-P477 HydrophobicContact CD2-CB 4.38Å; P477-I481 HydrophobicContact CB-CD1 3.69Å
478T80.8Confident82.9Confident67 Ų6755.2 Ų55.241%0.41128%0.276SS..PPolyproline II helixtrans-89.1163.117656.40000110.6Y409 D476 E480 I481Y409-T478 WeakPolarHBondContact CE1-O 3.49Å; Y409-T478 PolarHBondContact OH-O 3.4Å; D476-T478 PolarHBondContact O-N 2.87Å; T478-E480 PolarHBondContact O-N 3.11Å; T478-I481 WeakPolarHBondContact O-CB 3.37Å; T478-I481 VanDerWaalsContact O-CG2 3.25Å; T478-I481 WeakPolarHBondContact O-CG2 3.06Å; T478-I481 PolarHBondContact O-N 2.89Å; T478-I481 PolarHBondContact OG1-N 2.95Å
479P75.3Confident82.9Confident6 Ų654.8 Ų54.84%0.03927%0.274CS..THydrogen-bonded Turntrans-58-27.6171.4-20.429.7000113.7R410 A413 Q414R410-P479 HydrophobicContact CG-CB 4.27Å; A413-P479 HydrophobicContact CB-CB 3.83Å; A413-P479 HydrophobicContact CB-CG 3.79Å; Q414-P479 HydrophobicContact CG-CB 3.69Å; Q414-P479 HydrophobicContact CG-CG 3.77Å
480E84.8Confident83.1Confident87 Ų8756.3 Ų56.341%0.40728%0.276SS..THydrogen-bonded Turntrans-92.86.2-176.7-55.973.7-155.400113.5T478 F482 D483T478-E480 PolarHBondContact O-N 3.11Å; E480-F482 PolarHBondContact O-N 3.43Å; E480-D483 VanDerWaalsContact CA-OD1 3.27Å; E480-D483 WeakPolarHBondContact CA-OD1 3.37Å; E480-D483 WeakPolarHBondContact O-CB 3.43Å; E480-D483 VanDerWaalsContact O-CG 3.28Å; E480-D483 PolarHBondContact O-N 2.98Å
481I84.5Confident83.3Confident25 Ų2554.7 Ų54.713%0.12827%0.265CS..THydrogen-bonded Turntrans-59.1-26-171-168167.5000113.8Y409 L468 T471 L472 P477 T478Y409-I481 HydrophobicContact CE1-CG2 3.7Å; L468-I481 HydrophobicContact CD1-CD1 4.12Å; L468-I481 HydrophobicContact CD1-CG1 3.62Å; T471-I481 HydrophobicContact CG2-CD1 4.26Å; L472-I481 HydrophobicContact CD2-CD1 3.49Å; L472-I481 VanDerWaalsContact CD2-CD1 3.49Å; L472-I481 HydrophobicContact CG-CD1 4.04Å; P477-I481 HydrophobicContact CB-CD1 3.69Å; T478-I481 WeakPolarHBondContact O-CB 3.37Å; T478-I481 VanDerWaalsContact O-CG2 3.25Å; T478-I481 WeakPolarHBondContact O-CG2 3.06Å; T478-I481 PolarHBondContact O-N 2.89Å; T478-I481 PolarHBondContact OG1-N 2.95Å
482F86.9Confident83.6Confident1 Ų155 Ų550%0.00427%0.266CS..THydrogen-bonded Turntrans-99.6-0.6-179.2-62.9-76.6000114.1F402 V406 Y409 A442 I445 L468 E480 D484 I485 Q486F402-F482 HydrophobicContact CZ-CD1 4.48Å; V406-F482 HydrophobicContact CB-CB 4.32Å; V406-F482 HydrophobicContact CG1-CB 3.51Å; V406-F482 HydrophobicContact CG1-CD2 4.34Å; V406-F482 HydrophobicContact CG1-CG 4.23Å; V406-F482 HydrophobicContact CG2-CB 3.76Å; V406-F482 HydrophobicContact CG2-CD1 4.36Å; V406-F482 HydrophobicContact CG2-CD2 4.24Å; V406-F482 HydrophobicContact CG2-CG 3.89Å; Y409-F482 AromaticContact CD1-CD2 3.75Å; Y409-F482 HydrophobicContact CD1-CD2 3.75Å; Y409-F482 AromaticContact CD1-CE2 3.73Å; Y409-F482 HydrophobicContact CD1-CE2 3.73Å; Y409-F482 HydrophobicContact CD2-CE2 4.49Å; Y409-F482 HydrophobicContact CE1-CD2 4Å; Y409-F482 AromaticContact CE1-CE2 3.84Å; Y409-F482 HydrophobicContact CE1-CE2 3.84Å; Y409-F482 HydrophobicContact CG-CD2 4.43Å; Y409-F482 HydrophobicContact CG-CE2 4.09Å; A442-F482 HydrophobicContact CB-CE2 4.12Å; A442-F482 HydrophobicContact CB-CZ 3.99Å; A442-F482 WeakPolarHBondContact O-CZ 3.16Å; I445-F482 HydrophobicContact CB-CE1 4.26Å; I445-F482 HydrophobicContact CB-CE2 4.48Å; I445-F482 HydrophobicContact CB-CZ 3.85Å; I445-F482 HydrophobicContact CD1-CE2 4.02Å; I445-F482 HydrophobicContact CD1-CZ 4.24Å; I445-F482 HydrophobicContact CG2-CD1 4.47Å; I445-F482 HydrophobicContact CG2-CE1 3.87Å; I445-F482 HydrophobicContact CG2-CE2 4.44Å; I445-F482 HydrophobicContact CG2-CZ 3.87Å; L468-F482 HydrophobicContact CD1-CD1 4.29Å; L468-F482 HydrophobicContact CD1-CE1 4.28Å; L468-F482 HydrophobicContact CD2-CD1 3.66Å; L468-F482 HydrophobicContact CD2-CE1 3.62Å; E480-F482 PolarHBondContact O-N 3.43Å; F482-D484 VanDerWaalsContact C-N 3.33Å; F482-D484 PolarHBondContact O-N 3.42Å; F482-I485 PolarHBondContact O-N 3.17Å; F482-I485 VanDerWaalsContact O-N 3.09Å; F482-Q486 WeakPolarHBondContact O-CB 3.12Å; F482-Q486 PolarHBondContact O-N 3.2Å
483D87.1Confident83.8Confident38 Ų3854.8 Ų54.820%0.20326%0.264CS..Hα-helixtrans-56.4-42.4-168.7-77.419.8000113.6R410 E480 I485 R487R410-D483 IonicContact CZ-OD1 3.9Å; R410-D483 IonicContact CZ-OD2 2.99Å; R410-D483 IonicContact NH1-OD1 3.69Å; R410-D483 PolarHBondContact NH1-OD1 3.37Å; R410-D483 IonicContact NH1-OD2 3.89Å; R410-D483 PolarHBondContact NH1-OD2 3.44Å; R410-D483 VanDerWaalsContact NH1-OD2 3.16Å; R410-D483 IonicContact NH2-OD1 3.15Å; R410-D483 PolarHBondContact NH2-OD1 3.17Å; R410-D483 IonicContact NH2-OD2 3.15Å; E480-D483 VanDerWaalsContact CA-OD1 3.27Å; E480-D483 WeakPolarHBondContact CA-OD1 3.37Å; E480-D483 WeakPolarHBondContact O-CB 3.43Å; E480-D483 VanDerWaalsContact O-CG 3.28Å; E480-D483 PolarHBondContact O-N 2.98Å; D483-I485 VanDerWaalsContact C-N 3.35Å; D483-I485 PolarHBondContact O-N 3.24Å; D483-R487 WeakPolarHBondContact O-CB 3.03Å; D483-R487 PolarHBondContact O-N 3.29Å
484D85.9Confident84.2Confident70 Ų7051.6 Ų51.637%0.37425%0.247SC..Hα-helixtrans-65.5-39.6-178.9-75.3-23.5000111.8K467 F482 R487 K488K467-D484 IonicContact NZ-OD2 3.37Å; F482-D484 VanDerWaalsContact C-N 3.33Å; F482-D484 PolarHBondContact O-N 3.42Å; D484-R487 IonicContact OD1-CZ 3.08Å; D484-R487 IonicContact OD1-NH1 3.97Å; D484-R487 PolarHBondContact OD1-NH1 3.25Å; D484-R487 IonicContact OD1-NH2 2.79Å; D484-K488 WeakPolarHBondContact O-CG 3.49Å; D484-K488 PolarHBondContact O-N 2.93Å
485I87.5Confident84.6Confident5 Ų553.6 Ų53.63%0.02625%0.249CC..Hα-helixtrans-76-43.9178.2-58.8-172.3000110F402 L450 V460 L464 V465 L468 F482 D483 R487 K488 V489F402-I485 HydrophobicContact CE1-CB 4.41Å; F402-I485 HydrophobicContact CE1-CG2 3.66Å; F402-I485 HydrophobicContact CZ-CB 4.15Å; F402-I485 HydrophobicContact CZ-CG2 3.49Å; F402-I485 VanDerWaalsContact CZ-CG2 3.49Å; L450-I485 HydrophobicContact CD1-CD1 3.76Å; L450-I485 HydrophobicContact CD1-CG2 4.31Å; L450-I485 HydrophobicContact CD2-CG2 4.02Å; V460-I485 HydrophobicContact CB-CG2 4.35Å; V460-I485 HydrophobicContact CG1-CG2 4.07Å; V460-I485 HydrophobicContact CG2-CG2 4.02Å; L464-I485 HydrophobicContact CB-CG1 4.09Å; V465-I485 HydrophobicContact CG2-CD1 4.46Å; L468-I485 HydrophobicContact CB-CD1 3.92Å; L468-I485 HydrophobicContact CD2-CD1 3.46Å; L468-I485 VanDerWaalsContact CD2-CD1 3.46Å; L468-I485 HydrophobicContact CG-CD1 4.3Å; F482-I485 PolarHBondContact O-N 3.17Å; F482-I485 VanDerWaalsContact O-N 3.09Å; D483-I485 VanDerWaalsContact C-N 3.35Å; D483-I485 PolarHBondContact O-N 3.24Å; I485-R487 VanDerWaalsContact C-N 3.3Å; I485-R487 PolarHBondContact O-N 3.46Å; I485-K488 WeakPolarHBondContact O-CB 3.31Å; I485-K488 PolarHBondContact O-N 3.16Å; I485-K488 VanDerWaalsContact O-N 3.08Å; I485-V489 HydrophobicContact CG2-CG2 4.41Å; I485-V489 WeakPolarHBondContact O-CG2 3.29Å; I485-V489 PolarHBondContact O-N 3.08Å
486Q84.9Confident85Confident11 Ų1149.8 Ų49.85%0.05123%0.232CC..Hα-helixtrans-60.2-40.3178-167.1-171.124.300111.7W403 V406 E407 F482 K488 V489 Y490W403-Q486 HydrophobicContact CG-CG 4.26Å; W403-Q486 PolarHBondContact O-NE2 3.21Å; V406-Q486 HydrophobicContact CB-CG 4.33Å; V406-Q486 HydrophobicContact CG1-CB 4.13Å; V406-Q486 VanDerWaalsContact CG1-CD 3.4Å; V406-Q486 HydrophobicContact CG1-CG 4Å; E407-Q486 PolarHBondContact OE1-NE2 2.83Å; E407-Q486 PolarHBondContact OE1-OE1 3.31Å; F482-Q486 WeakPolarHBondContact O-CB 3.12Å; F482-Q486 PolarHBondContact O-N 3.2Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 2.93Å; Q486-V489 PolarHBondContact O-N 3.46Å; Q486-Y490 WeakPolarHBondContact O-CB 3.5Å; Q486-Y490 PolarHBondContact O-N 3.3Å
487R88.7Confident85.5Confident131 Ų13152.6 Ų52.649%0.49424%0.243SC..Hα-helixtrans-61.1-42.1173.5-170.5-175.7-54.71237.6111.6D483 D484 I485 Y490 E491D483-R487 WeakPolarHBondContact O-CB 3.03Å; D483-R487 PolarHBondContact O-N 3.29Å; D484-R487 IonicContact OD1-CZ 3.08Å; D484-R487 IonicContact OD1-NH1 3.97Å; D484-R487 PolarHBondContact OD1-NH1 3.25Å; D484-R487 IonicContact OD1-NH2 2.79Å; I485-R487 VanDerWaalsContact C-N 3.3Å; I485-R487 PolarHBondContact O-N 3.46Å; R487-Y490 PolarHBondContact O-N 2.92Å; R487-E491 WeakPolarHBondContact O-CG 3.49Å; R487-E491 PolarHBondContact O-N 2.95Å
488K88.2Confident85.8Confident93 Ų9359.3 Ų59.340%0.40427%0.267SS..Hα-helixtrans-67.2-38.7177.2-72.6-72.8162.1-153.80112.6V460 L464 D484 I485 Q486 E491 L492V460-K488 HydrophobicContact CG1-CB 3.72Å; V460-K488 HydrophobicContact CG1-CG 4.41Å; L464-K488 HydrophobicContact CD1-CG 3.78Å; D484-K488 WeakPolarHBondContact O-CG 3.49Å; D484-K488 PolarHBondContact O-N 2.93Å; I485-K488 WeakPolarHBondContact O-CB 3.31Å; I485-K488 PolarHBondContact O-N 3.16Å; I485-K488 VanDerWaalsContact O-N 3.08Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 2.93Å; K488-E491 IonicContact NZ-OE2 3.94Å; K488-E491 PolarHBondContact NZ-OE2 2.8Å; K488-E491 PolarHBondContact O-N 3.24Å; K488-L492 VanDerWaalsContact O-CB 3.3Å; K488-L492 WeakPolarHBondContact O-CB 3.34Å; K488-L492 PolarHBondContact O-N 3.26Å
489V87Confident86.2Confident0 Ų056.4 Ų56.40%025%0.249CC..Hα-helixtrans-66.5-39.9174.9175.20000111.1H399 F402 V458 V460 I485 Q486 L492 M493H399-V489 HydrophobicContact CB-CG1 3.85Å; H399-V489 VanDerWaalsContact O-CG1 3.23Å; H399-V489 WeakPolarHBondContact O-CG1 3.39Å; F402-V489 HydrophobicContact CD1-CB 4.14Å; F402-V489 HydrophobicContact CD1-CG1 4.13Å; F402-V489 HydrophobicContact CD1-CG2 3.71Å; F402-V489 HydrophobicContact CE1-CB 4.39Å; F402-V489 HydrophobicContact CE1-CG2 3.81Å; V458-V489 HydrophobicContact CG1-CG1 4.48Å; V458-V489 HydrophobicContact CG1-CG2 3.63Å; V460-V489 HydrophobicContact CG2-CG2 3.54Å; I485-V489 HydrophobicContact CG2-CG2 4.41Å; I485-V489 WeakPolarHBondContact O-CG2 3.29Å; I485-V489 PolarHBondContact O-N 3.08Å; Q486-V489 PolarHBondContact O-N 3.46Å; V489-L492 PolarHBondContact O-N 3.25Å; V489-M493 HydrophobicContact CG1-CE 4.25Å; V489-M493 WeakPolarHBondContact O-CG 3.13Å; V489-M493 PolarHBondContact O-N 2.89Å
490Y87.6Confident86.8Confident51 Ų5156.9 Ų56.920%0.225%0.25CS..Hα-helixtrans-62.8-47.4172.8-179.5-93.7000112.2L374 D375 L378 Q486 R487 L492 M493 L494L374-Y490 HydrophobicContact CB-CE2 4.31Å; L374-Y490 HydrophobicContact CD2-CD2 4.25Å; L374-Y490 HydrophobicContact CD2-CE2 3.86Å; L374-Y490 HydrophobicContact CG-CE2 3.89Å; D375-Y490 PolarHBondContact N-OH 3.22Å; L378-Y490 HydrophobicContact CD1-CD2 3.72Å; L378-Y490 HydrophobicContact CD1-CE2 3.73Å; Q486-Y490 WeakPolarHBondContact O-CB 3.5Å; Q486-Y490 PolarHBondContact O-N 3.3Å; R487-Y490 PolarHBondContact O-N 2.92Å; Y490-L492 PolarHBondContact O-N 2.85Å; Y490-M493 PolarHBondContact O-N 3.22Å; Y490-L494 HydrophobicContact CE1-CD2 4.09Å; Y490-L494 VanDerWaalsContact O-CB 3.31Å; Y490-L494 WeakPolarHBondContact O-CB 2.93Å; Y490-L494 PolarHBondContact O-N 3.23Å
491E87.3Confident86.9Confident59 Ų5953.1 Ų53.128%0.27623%0.233SC..Hα-helixtrans-57.9-39.2175.1-77-179.9169.300112R487 K488 L494 R495R487-E491 WeakPolarHBondContact O-CG 3.49Å; R487-E491 PolarHBondContact O-N 2.95Å; K488-E491 IonicContact NZ-OE2 3.94Å; K488-E491 PolarHBondContact NZ-OE2 2.8Å; K488-E491 PolarHBondContact O-N 3.24Å; E491-L494 PolarHBondContact O-N 3.24Å; E491-R495 VanDerWaalsContact O-CB 3.31Å; E491-R495 WeakPolarHBondContact O-CB 3.31Å; E491-R495 WeakPolarHBondContact O-CG 3.28Å; E491-R495 PolarHBondContact O-N 3.39Å
492L88.1Confident86.9Confident42 Ų4253.9 Ų53.922%0.2224%0.241CC..Hα-helixtrans-65.6-48.4177.1-176.4157.1000111.1T459 K488 V489 Y490 L494 R495 D496 F499T459-L492 WeakPolarHBondContact O-CD1 3.44Å; K488-L492 VanDerWaalsContact O-CB 3.3Å; K488-L492 WeakPolarHBondContact O-CB 3.34Å; K488-L492 PolarHBondContact O-N 3.26Å; V489-L492 PolarHBondContact O-N 3.25Å; Y490-L492 PolarHBondContact O-N 2.85Å; L492-L494 VanDerWaalsContact C-N 3.25Å; L492-L494 PolarHBondContact O-N 3.34Å; L492-R495 PolarHBondContact O-N 2.87Å; L492-D496 WeakPolarHBondContact O-CB 3.36Å; L492-D496 PolarHBondContact O-N 2.92Å; L492-F499 HydrophobicContact CD2-CD2 3.86Å; L492-F499 HydrophobicContact CD2-CE2 3.42Å; L492-F499 VanDerWaalsContact CD2-CE2 3.42Å; L492-F499 HydrophobicContact CD2-CZ 4.47Å
493M88.3Confident86.8Confident0 Ų053.9 Ų53.90%024%0.241CC..Hα-helixtrans-61.7-33.3175.7-70.1-168.6-70.300112.7L374 L378 M391 H399 L400 W403 V489 Y490 F499 Y500L374-M493 HydrophobicContact CD2-CB 3.96Å; L378-M493 HydrophobicContact CD1-CE 4.22Å; M391-M493 HydrophobicContact CE-CG 4.06Å; M391-M493 HydrophobicContact CE-SD 4Å; H399-M493 HydrophobicContact CB-CG 4.18Å; H399-M493 HydrophobicContact CB-SD 4.39Å; L400-M493 HydrophobicContact CB-SD 4.13Å; L400-M493 HydrophobicContact CD1-SD 4.1Å; W403-M493 HydrophobicContact CB-CE 3.91Å; W403-M493 HydrophobicContact CG-CE 4Å; V489-M493 HydrophobicContact CG1-CE 4.25Å; V489-M493 WeakPolarHBondContact O-CG 3.13Å; V489-M493 PolarHBondContact O-N 2.89Å; Y490-M493 PolarHBondContact O-N 3.22Å; M493-F499 WeakPolarHBondContact O-CB 3.1Å; M493-Y500 WeakPolarHBondContact O-CB 3.27Å; M493-Y500 PolarHBondContact O-N 3.11Å
494L88Confident86.5Confident59 Ų5956.6 Ų56.631%0.30925%0.248SC..Hα-helixtrans-76.7-38.8-178.8-175.267.5000113.3L374 Y490 E491 L492 Y500L374-L494 HydrophobicContact CB-CD1 3.94Å; L374-L494 HydrophobicContact CD2-CB 3.95Å; L374-L494 HydrophobicContact CD2-CD1 4.1Å; Y490-L494 HydrophobicContact CE1-CD2 4.09Å; Y490-L494 VanDerWaalsContact O-CB 3.31Å; Y490-L494 WeakPolarHBondContact O-CB 2.93Å; Y490-L494 PolarHBondContact O-N 3.23Å; E491-L494 PolarHBondContact O-N 3.24Å; L492-L494 VanDerWaalsContact C-N 3.25Å; L492-L494 PolarHBondContact O-N 3.34Å; L494-Y500 HydrophobicContact CD1-CD1 3.71Å; L494-Y500 HydrophobicContact CD1-CE1 3.86Å
495R85.6Confident86.1Confident181 Ų18161 Ų6168%0.68327%0.266SS*.Hα-helixtrans-103-28.4-169.5-65.5-176.3178.6-173.42.6114.9E491 L492 E497E491-R495 VanDerWaalsContact O-CB 3.31Å; E491-R495 WeakPolarHBondContact O-CB 3.31Å; E491-R495 WeakPolarHBondContact O-CG 3.28Å; E491-R495 PolarHBondContact O-N 3.39Å; L492-R495 PolarHBondContact O-N 2.87Å; R495-E497 PolarHBondContact O-N 3.2Å
496D87Confident85.8Confident41 Ų4162.8 Ų62.822%0.21928%0.276CS..SBendtrans-68.6123.1178.9-172.4-39000109.2L492 R498 F499 P501L492-D496 WeakPolarHBondContact O-CB 3.36Å; L492-D496 PolarHBondContact O-N 2.92Å; D496-R498 PolarHBondContact O-N 2.83Å; D496-R498 WeakPolarHBondContact OD1-CB 3.23Å; D496-R498 WeakPolarHBondContact OD1-CG 3.28Å; D496-R498 IonicContact OD1-CZ 3.94Å; D496-R498 PolarHBondContact OD1-N 3.45Å; D496-R498 IonicContact OD1-NE 3.09Å; D496-R498 PolarHBondContact OD1-NE 3.46Å; D496-R498 VanDerWaalsContact OD1-NE 3.09Å; D496-R498 IonicContact OD1-NH2 2.75Å; D496-R498 IonicContact OD2-CZ 3.51Å; D496-R498 IonicContact OD2-NE 3.41Å; D496-R498 PolarHBondContact OD2-NE 2.92Å; D496-R498 IonicContact OD2-NH2 3.68Å; D496-R498 PolarHBondContact OD2-NH2 3.33Å; D496-F499 HydrophobicContact CB-CD2 3.67Å; D496-F499 HydrophobicContact CB-CE2 3.95Å; D496-F499 PolarHBondContact O-N 3.29Å; D496-P501 WeakPolarHBondContact O-CD 3.47Å
497E84.4Confident85.2Confident127 Ų12764.9 Ų64.959%0.59330%0.295SS*.THydrogen-bonded Turntrans-54-27.7-176.6-73.9-65.7158.700112.8R495 F499 P501 S502R495-E497 PolarHBondContact O-N 3.2Å; E497-F499 VanDerWaalsContact C-N 3.32Å; E497-F499 PolarHBondContact O-N 3.21Å; E497-P501 WeakPolarHBondContact OE2-CB 3.47Å; E497-S502 WeakPolarHBondContact O-CB 3.37Å; E497-S502 PolarHBondContact O-N 2.94Å; E497-S502 PolarHBondContact O-OG 3.23Å
498R84.6Confident84.1Confident151 Ų15159.6 Ų59.657%0.5728%0.277SS*.THydrogen-bonded Turntrans-70.6-25-178.4-64.2175.8-69.1173.21113.7Y390 D496Y390-R498 PolarHBondContact OH-O 3.22Å; D496-R498 PolarHBondContact O-N 2.83Å; D496-R498 WeakPolarHBondContact OD1-CB 3.23Å; D496-R498 WeakPolarHBondContact OD1-CG 3.28Å; D496-R498 IonicContact OD1-CZ 3.94Å; D496-R498 PolarHBondContact OD1-N 3.45Å; D496-R498 IonicContact OD1-NE 3.09Å; D496-R498 PolarHBondContact OD1-NE 3.46Å; D496-R498 VanDerWaalsContact OD1-NE 3.09Å; D496-R498 IonicContact OD1-NH2 2.75Å; D496-R498 IonicContact OD2-CZ 3.51Å; D496-R498 IonicContact OD2-NE 3.41Å; D496-R498 PolarHBondContact OD2-NE 2.92Å; D496-R498 IonicContact OD2-NH2 3.68Å; D496-R498 PolarHBondContact OD2-NH2 3.33Å
499F88.4Confident83.3Confident6 Ų655.3 Ų55.33%0.02626%0.258CS..THydrogen-bonded Turntrans-99.6-113.9-172.8-54.7-45.9000111.4Y390 M391 L492 M493 D496 E497 S502 F503Y390-F499 VanDerWaalsContact CE1-O 3.29Å; Y390-F499 WeakPolarHBondContact CE1-O 2.98Å; M391-F499 HydrophobicContact CE-CB 4.24Å; M391-F499 HydrophobicContact CE-CD1 3.67Å; M391-F499 HydrophobicContact CE-CE1 4.2Å; M391-F499 HydrophobicContact CE-CG 3.9Å; M391-F499 HydrophobicContact SD-CB 3.78Å; M391-F499 HydrophobicContact SD-CD1 3.38Å; M391-F499 WeakPolarHBondContact SD-CD1 3.47Å; M391-F499 HydrophobicContact SD-CE1 4.27Å; M391-F499 HydrophobicContact SD-CG 3.81Å; L492-F499 HydrophobicContact CD2-CD2 3.86Å; L492-F499 HydrophobicContact CD2-CE2 3.42Å; L492-F499 VanDerWaalsContact CD2-CE2 3.42Å; L492-F499 HydrophobicContact CD2-CZ 4.47Å; M493-F499 WeakPolarHBondContact O-CB 3.1Å; D496-F499 HydrophobicContact CB-CD2 3.67Å; D496-F499 HydrophobicContact CB-CE2 3.95Å; D496-F499 PolarHBondContact O-N 3.29Å; E497-F499 VanDerWaalsContact C-N 3.32Å; E497-F499 PolarHBondContact O-N 3.21Å; F499-S502 PolarHBondContact O-N 3.38Å; F499-F503 WeakPolarHBondContact O-CB 3.27Å; F499-F503 PolarHBondContact O-N 2.96Å
500Y87.4Confident82.4Confident17 Ų1755.9 Ų55.97%0.06726%0.262CS..Hα-helixtrans-58.3-40.7-173.4175.5-108.3000114.9V372 L374 I377 M493 L494 S502 F503 R504V372-Y500 PolarHBondContact O-OH 3.35Å; L374-Y500 HydrophobicContact CB-CD1 4.42Å; L374-Y500 HydrophobicContact CB-CD2 4.05Å; L374-Y500 HydrophobicContact CB-CE1 4.45Å; L374-Y500 HydrophobicContact CB-CE2 4.13Å; L374-Y500 HydrophobicContact CB-CG 4.2Å; L374-Y500 HydrophobicContact CD1-CD2 3.95Å; L374-Y500 HydrophobicContact CD1-CG 4.31Å; L374-Y500 HydrophobicContact CD2-CG 4.48Å; L374-Y500 HydrophobicContact CG-CD2 4.49Å; I377-Y500 HydrophobicContact CD1-CD2 4.19Å; I377-Y500 HydrophobicContact CD1-CE2 3.65Å; M493-Y500 WeakPolarHBondContact O-CB 3.27Å; M493-Y500 PolarHBondContact O-N 3.11Å; L494-Y500 HydrophobicContact CD1-CD1 3.71Å; L494-Y500 HydrophobicContact CD1-CE1 3.86Å; Y500-S502 PolarHBondContact O-N 2.89Å; Y500-F503 WeakPolarHBondContact O-CB 3.46Å; Y500-F503 PolarHBondContact O-N 3.42Å; Y500-R504 HydrophobicContact CE2-CG 4.11Å; Y500-R504 WeakPolarHBondContact O-CG 3.49Å; Y500-R504 PolarHBondContact O-N 3.01Å
501P87.1Confident81Confident8 Ų858.9 Ų58.95%0.05227%0.273CS..Hα-helixtrans-58.3-43.6176.2-25.635.8000114.2D496 E497D496-P501 WeakPolarHBondContact O-CD 3.47Å; E497-P501 WeakPolarHBondContact OE2-CB 3.47Å
502S83.8Confident80.1Confident41 Ų4156 Ų5629%0.28726%0.259SS..Hα-helixtrans-78.2-29.1176-730000113Y390 E497 F499 Y500 R504 Q505 N506Y390-S502 WeakPolarHBondContact OH-CB 3.32Å; E497-S502 WeakPolarHBondContact O-CB 3.37Å; E497-S502 PolarHBondContact O-N 2.94Å; E497-S502 PolarHBondContact O-OG 3.23Å; F499-S502 PolarHBondContact O-N 3.38Å; Y500-S502 PolarHBondContact O-N 2.89Å; S502-R504 VanDerWaalsContact C-N 3.28Å; S502-R504 PolarHBondContact O-N 3.39Å; S502-Q505 PolarHBondContact O-N 2.93Å; S502-N506 PolarHBondContact O-N 3.45Å
503F84.8Confident78.9Confident0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-56.7-43.9172.2-179.7-129000111.2I377 F386 F387 Y390 F499 Y500 Q505 N506 L508 Y509 M512I377-F503 HydrophobicContact CD1-CD1 4.47Å; I377-F503 HydrophobicContact CD1-CE1 4.15Å; F386-F503 HydrophobicContact CB-CZ 4.09Å; F386-F503 WeakPolarHBondContact O-CE2 3.11Å; F387-F503 HydrophobicContact CB-CE1 3.87Å; F387-F503 HydrophobicContact CB-CZ 3.94Å; F387-F503 HydrophobicContact CD2-CB 4.16Å; F387-F503 AromaticContact CD2-CD1 3.32Å; F387-F503 HydrophobicContact CD2-CD1 3.32Å; F387-F503 HydrophobicContact CD2-CD2 4.14Å; F387-F503 AromaticContact CD2-CE1 3.55Å; F387-F503 HydrophobicContact CD2-CE1 3.55Å; F387-F503 HydrophobicContact CD2-CE2 4.35Å; F387-F503 AromaticContact CD2-CG 3.62Å; F387-F503 HydrophobicContact CD2-CG 3.62Å; F387-F503 HydrophobicContact CD2-CZ 4.08Å; F387-F503 HydrophobicContact CE2-CB 4.05Å; F387-F503 AromaticContact CE2-CD1 3.87Å; F387-F503 HydrophobicContact CE2-CD1 3.87Å; F387-F503 HydrophobicContact CE2-CG 4.03Å; F387-F503 HydrophobicContact CG-CD1 4.29Å; F387-F503 HydrophobicContact CG-CE1 4.11Å; Y390-F503 VanDerWaalsContact CB-CD2 3.49Å; Y390-F503 HydrophobicContact CD1-CB 3.67Å; Y390-F503 AromaticContact CD1-CD2 3.72Å; Y390-F503 HydrophobicContact CD1-CD2 3.72Å; Y390-F503 AromaticContact CD1-CG 3.99Å; Y390-F503 HydrophobicContact CD1-CG 3.99Å; Y390-F503 AromaticContact CD2-CD2 3.81Å; Y390-F503 HydrophobicContact CD2-CD2 3.81Å; Y390-F503 HydrophobicContact CE1-CB 3.66Å; Y390-F503 HydrophobicContact CE1-CD2 4.45Å; Y390-F503 HydrophobicContact CE1-CG 4.47Å; Y390-F503 HydrophobicContact CE2-CB 4.49Å; Y390-F503 HydrophobicContact CG-CB 4.13Å; Y390-F503 AromaticContact CG-CD2 3.35Å; Y390-F503 HydrophobicContact CG-CD2 3.35Å; Y390-F503 HydrophobicContact CG-CE2 4.11Å; Y390-F503 HydrophobicContact CG-CG 4.1Å; Y390-F503 PolarHBondContact OH-N 3.38Å; F499-F503 WeakPolarHBondContact O-CB 3.27Å; F499-F503 PolarHBondContact O-N 2.96Å; Y500-F503 WeakPolarHBondContact O-CB 3.46Å; Y500-F503 PolarHBondContact O-N 3.42Å; F503-Q505 PolarHBondContact O-N 3.42Å; F503-N506 VanDerWaalsContact O-CB 3.29Å; F503-N506 WeakPolarHBondContact O-CB 3.26Å; F503-N506 PolarHBondContact O-N 3.37Å; F503-L508 HydrophobicContact CE2-CB 4.03Å; F503-Y509 AromaticContact CD1-CD2 3.62Å; F503-Y509 HydrophobicContact CD1-CD2 3.62Å; F503-Y509 HydrophobicContact CD1-CE2 4.19Å; F503-Y509 AromaticContact CE1-CD2 3.46Å; F503-Y509 HydrophobicContact CE1-CD2 3.46Å; F503-Y509 VanDerWaalsContact CE1-CD2 3.46Å; F503-Y509 HydrophobicContact CE1-CE2 4.11Å; F503-Y509 HydrophobicContact CG-CD2 4.29Å; F503-Y509 AromaticContact CZ-CD2 3.98Å; F503-Y509 HydrophobicContact CZ-CD2 3.98Å; F503-Y509 WeakPolarHBondContact O-CB 3.37Å; F503-M512 HydrophobicContact CE1-CE 4.47Å; F503-M512 HydrophobicContact CE1-SD 3.92Å; F503-M512 HydrophobicContact CZ-SD 3.93Å
504R81.7Confident77.4Confident96 Ų9655.7 Ų55.736%0.36226%0.263SS..THydrogen-bonded Turntrans-57.8-18.1177.5-68.9-175.1-61.2174-0.2114.7Y500 S502 Y509Y500-R504 HydrophobicContact CE2-CG 4.11Å; Y500-R504 WeakPolarHBondContact O-CG 3.49Å; Y500-R504 PolarHBondContact O-N 3.01Å; S502-R504 VanDerWaalsContact C-N 3.28Å; S502-R504 PolarHBondContact O-N 3.39Å; R504-Y509 HydrophobicContact CB-CE1 4.44Å; R504-Y509 HydrophobicContact CG-CE1 4.43Å; R504-Y509 HydrophobicContact CG-CE2 4.19Å
505Q78.6Confident75.7Confident161 Ų16158.4 Ų58.475%0.75227%0.274SS*.THydrogen-bonded Turntrans-104.5-4.3179.2-57.2178.339.400112.1S502 F503S502-Q505 PolarHBondContact O-N 2.93Å; F503-Q505 PolarHBondContact O-N 3.42Å
506N80.2Confident74.1Confident43 Ų4351.9 Ų51.923%0.2325%0.252CS..SBendtrans-84.7149.6-176.7-168.2-72.5000111.9Y390 S502 F503 L508 Y509Y390-N506 HydrophobicContact CD2-CB 3.88Å; Y390-N506 WeakPolarHBondContact CD2-ND2 3.27Å; Y390-N506 HydrophobicContact CE2-CB 3.83Å; Y390-N506 WeakPolarHBondContact CE2-ND2 3.38Å; S502-N506 PolarHBondContact O-N 3.45Å; F503-N506 VanDerWaalsContact O-CB 3.29Å; F503-N506 WeakPolarHBondContact O-CB 3.26Å; F503-N506 PolarHBondContact O-N 3.37Å; N506-L508 PolarHBondContact O-N 3.29Å; N506-L508 WeakPolarHBondContact OD1-CB 3.28Å; N506-L508 WeakPolarHBondContact OD1-CG 3.47Å; N506-L508 PolarHBondContact OD1-N 3.26Å; N506-Y509 WeakPolarHBondContact O-CB 3.2Å; N506-Y509 PolarHBondContact O-N 3Å
507A71.7Confident72.4Confident55 Ų5554.7 Ų54.746%0.45527%0.267SS..Hα-helixtrans-57.8-31.7175.800000113.2Y509 V510 R511A507-Y509 VanDerWaalsContact C-N 3.28Å; A507-Y509 PolarHBondContact O-N 3.35Å; A507-V510 PolarHBondContact O-N 3.15Å; A507-R511 WeakPolarHBondContact O-CG 3.42Å; A507-R511 PolarHBondContact O-N 3.45Å
508L65.3Low71Confident21 Ų2152.1 Ų52.111%0.1126%0.256CS..Hα-helixtrans-62.4-33.4175.6-67.8174.7000112.3F386 D389 F503 N506 R511 M512F386-L508 HydrophobicContact CD1-CD2 4.32Å; D389-L508 HydrophobicContact CB-CD1 4.08Å; F503-L508 HydrophobicContact CE2-CB 4.03Å; N506-L508 PolarHBondContact O-N 3.29Å; N506-L508 WeakPolarHBondContact OD1-CB 3.28Å; N506-L508 WeakPolarHBondContact OD1-CG 3.47Å; N506-L508 PolarHBondContact OD1-N 3.26Å; L508-R511 PolarHBondContact O-N 3Å; L508-M512 WeakPolarHBondContact O-CB 3.38Å; L508-M512 PolarHBondContact O-N 2.91Å
509Y72.9Confident69.5Low2 Ų246 Ų461%0.00824%0.235CC..Hα-helixtrans-69.3-36.5175.9-171.7-104.3000112.4C370 T371 V372 I377 F503 R504 N506 A507 M512 L513C370-Y509 PolarHBondContact O-OH 3.1Å; T371-Y509 WeakPolarHBondContact CA-OH 3.5Å; V372-Y509 PolarHBondContact N-OH 2.93Å; I377-Y509 HydrophobicContact CD1-CE2 4.22Å; F503-Y509 AromaticContact CD1-CD2 3.62Å; F503-Y509 HydrophobicContact CD1-CD2 3.62Å; F503-Y509 HydrophobicContact CD1-CE2 4.19Å; F503-Y509 AromaticContact CE1-CD2 3.46Å; F503-Y509 HydrophobicContact CE1-CD2 3.46Å; F503-Y509 VanDerWaalsContact CE1-CD2 3.46Å; F503-Y509 HydrophobicContact CE1-CE2 4.11Å; F503-Y509 HydrophobicContact CG-CD2 4.29Å; F503-Y509 AromaticContact CZ-CD2 3.98Å; F503-Y509 HydrophobicContact CZ-CD2 3.98Å; F503-Y509 WeakPolarHBondContact O-CB 3.37Å; R504-Y509 HydrophobicContact CB-CE1 4.44Å; R504-Y509 HydrophobicContact CG-CE1 4.43Å; R504-Y509 HydrophobicContact CG-CE2 4.19Å; N506-Y509 WeakPolarHBondContact O-CB 3.2Å; N506-Y509 PolarHBondContact O-N 3Å; A507-Y509 VanDerWaalsContact C-N 3.28Å; A507-Y509 PolarHBondContact O-N 3.35Å; Y509-M512 HydrophobicContact CD2-CE 3.48Å; Y509-M512 VanDerWaalsContact CD2-CE 3.48Å; Y509-M512 HydrophobicContact CD2-SD 4.34Å; Y509-M512 HydrophobicContact CE2-CE 3.35Å; Y509-M512 HydrophobicContact CG-CE 4.35Å; Y509-M512 WeakPolarHBondContact O-CB 3.25Å; Y509-M512 PolarHBondContact O-N 3.48Å; Y509-L513 HydrophobicContact CD1-CD1 3.85Å; Y509-L513 HydrophobicContact CD1-CG 4.36Å; Y509-L513 HydrophobicContact CE1-CD1 3.67Å; Y509-L513 HydrophobicContact CE1-CG 4.21Å; Y509-L513 VanDerWaalsContact O-CG 3.31Å; Y509-L513 WeakPolarHBondContact O-CG 3.37Å; Y509-L513 PolarHBondContact O-N 2.83Å
510V66.9Low67.4Low13 Ų1354 Ų548%0.07927%0.269CS..Hα-helixtrans-69-38.4175-175.30000110.9A363 L369 A507 L513 A514 L519A363-V510 HydrophobicContact CB-CG1 3.92Å; A363-V510 HydrophobicContact CB-CG2 4.18Å; L369-V510 HydrophobicContact CD1-CG2 3.86Å; L369-V510 HydrophobicContact CD2-CG1 4.47Å; L369-V510 HydrophobicContact CD2-CG2 4.22Å; A507-V510 PolarHBondContact O-N 3.15Å; V510-L513 PolarHBondContact O-N 3.27Å; V510-A514 PolarHBondContact O-N 3.17Å; V510-L519 HydrophobicContact CG1-CD1 4.09Å
511R58.3Low65Low113 Ų11357.6 Ų57.643%0.42629%0.29SS..Hα-helixtrans-63.4-43.6173.2-69.9-179.2-177.5-175.3-0.3111.6T359 F386 A507 L508 L513 A514 E515T359-R511 HydrophobicContact CG2-CG 3.82Å; T359-R511 PolarHBondContact OG1-NE 2.75Å; F386-R511 HydrophobicContact CD1-CB 4.17Å; F386-R511 HydrophobicContact CE1-CB 3.63Å; F386-R511 HydrophobicContact CZ-CB 4.24Å; A507-R511 WeakPolarHBondContact O-CG 3.42Å; A507-R511 PolarHBondContact O-N 3.45Å; L508-R511 PolarHBondContact O-N 3Å; R511-L513 PolarHBondContact O-N 3.48Å; R511-A514 WeakPolarHBondContact O-CB 3.45Å; R511-A514 PolarHBondContact O-N 3.39Å; R511-A514 VanDerWaalsContact O-N 3.11Å; R511-E515 PolarHBondContact O-N 3.46Å
512M70.1Confident62.5Low0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-55.5-49.6173-172.8-167.677.300111.5V372 I377 A383 F386 F503 L508 Y509 A514 E515 L516V372-M512 HydrophobicContact CB-CE 4.32Å; V372-M512 HydrophobicContact CG2-CE 4.11Å; I377-M512 HydrophobicContact CD1-CE 4.31Å; I377-M512 HydrophobicContact CG1-CE 4.42Å; I377-M512 HydrophobicContact CG1-SD 4.39Å; A383-M512 HydrophobicContact CB-CG 4.17Å; A383-M512 HydrophobicContact CB-SD 3.75Å; F386-M512 HydrophobicContact CB-CB 3.77Å; F386-M512 HydrophobicContact CB-CG 4.01Å; F386-M512 HydrophobicContact CB-SD 4.4Å; F386-M512 HydrophobicContact CD1-CB 4.39Å; F386-M512 HydrophobicContact CD2-CB 3.61Å; F386-M512 HydrophobicContact CD2-CG 3.74Å; F386-M512 HydrophobicContact CE2-CB 4.31Å; F386-M512 HydrophobicContact CG-CB 3.67Å; F386-M512 HydrophobicContact CG-CG 4.11Å; F503-M512 HydrophobicContact CE1-CE 4.47Å; F503-M512 HydrophobicContact CE1-SD 3.92Å; F503-M512 HydrophobicContact CZ-SD 3.93Å; L508-M512 WeakPolarHBondContact O-CB 3.38Å; L508-M512 PolarHBondContact O-N 2.91Å; Y509-M512 HydrophobicContact CD2-CE 3.48Å; Y509-M512 VanDerWaalsContact CD2-CE 3.48Å; Y509-M512 HydrophobicContact CD2-SD 4.34Å; Y509-M512 HydrophobicContact CE2-CE 3.35Å; Y509-M512 HydrophobicContact CG-CE 4.35Å; Y509-M512 WeakPolarHBondContact O-CB 3.25Å; Y509-M512 PolarHBondContact O-N 3.48Å; M512-A514 VanDerWaalsContact C-N 3.27Å; M512-A514 PolarHBondContact O-N 2.83Å; M512-E515 PolarHBondContact O-N 2.85Å; M512-L516 HydrophobicContact CE-CD1 4.26Å; M512-L516 HydrophobicContact CG-CD1 3.87Å; M512-L516 HydrophobicContact CG-CG 4.43Å; M512-L516 WeakPolarHBondContact O-CB 3.41Å; M512-L516 VanDerWaalsContact O-CG 3.25Å; M512-L516 WeakPolarHBondContact O-CG 3.4Å; M512-L516 PolarHBondContact O-N 2.8Å; M512-L516 HydrophobicContact SD-CD1 4.48Å
513L61.5Low60.2Low0 Ų062.2 Ų62.20%032%0.321CS..Hα-helixtrans-62.9-32.6177-70.1173.5000112.9L369 C370 V372 Y509 V510 R511 D517 M518 L519L369-L513 HydrophobicContact CB-CD1 4.13Å; L369-L513 HydrophobicContact CD2-CD1 3.86Å; C370-L513 HydrophobicContact CB-CD2 4.36Å; V372-L513 HydrophobicContact CG2-CD2 3.64Å; Y509-L513 HydrophobicContact CD1-CD1 3.85Å; Y509-L513 HydrophobicContact CD1-CG 4.36Å; Y509-L513 HydrophobicContact CE1-CD1 3.67Å; Y509-L513 HydrophobicContact CE1-CG 4.21Å; Y509-L513 VanDerWaalsContact O-CG 3.31Å; Y509-L513 WeakPolarHBondContact O-CG 3.37Å; Y509-L513 PolarHBondContact O-N 2.83Å; V510-L513 PolarHBondContact O-N 3.27Å; R511-L513 PolarHBondContact O-N 3.48Å; L513-D517 PolarHBondContact O-N 2.84Å; L513-M518 HydrophobicContact CB-CB 4.35Å; L513-M518 HydrophobicContact CD2-CB 3.8Å; L513-M518 HydrophobicContact CD2-CE 4.39Å; L513-M518 HydrophobicContact CD2-CG 4.43Å; L513-M518 HydrophobicContact CD2-SD 3.91Å; L513-M518 WeakPolarHBondContact O-CA 3.18Å; L513-M518 WeakPolarHBondContact O-CB 3.16Å; L513-M518 PolarHBondContact O-N 2.8Å; L513-L519 HydrophobicContact CB-CD2 3.87Å; L513-L519 HydrophobicContact CB-CG 3.91Å; L513-L519 HydrophobicContact CD1-CD2 4.36Å; L513-L519 PolarHBondContact O-N 2.89Å
514A56.4Low58Low35 Ų3570 Ų7029%0.28936%0.355SS..Hα-helixtrans-67.4-43.2174.800000111.2V510 R511 M512 D517 L519V510-A514 PolarHBondContact O-N 3.17Å; R511-A514 WeakPolarHBondContact O-CB 3.45Å; R511-A514 PolarHBondContact O-N 3.39Å; R511-A514 VanDerWaalsContact O-N 3.11Å; M512-A514 VanDerWaalsContact C-N 3.27Å; M512-A514 PolarHBondContact O-N 2.83Å; A514-D517 PolarHBondContact O-N 3.22Å; A514-L519 HydrophobicContact CB-CD1 3.53Å; A514-L519 HydrophobicContact CB-CG 4.35Å
515E52.6Low55.6Low115 Ų11576.5 Ų76.554%0.53738%0.379SS..Hα-helixtrans-70.2-36.5-178.7-150.465.4-167.500111.9V382 F386 R511 M512 D517V382-E515 HydrophobicContact CG1-CB 3.96Å; V382-E515 HydrophobicContact CG1-CG 3.74Å; F386-E515 HydrophobicContact CE2-CB 3.95Å; F386-E515 HydrophobicContact CE2-CG 4.24Å; F386-E515 HydrophobicContact CZ-CB 4.24Å; F386-E515 HydrophobicContact CZ-CG 4.47Å; R511-E515 PolarHBondContact O-N 3.46Å; M512-E515 PolarHBondContact O-N 2.85Å; E515-D517 PolarHBondContact O-N 3.43Å
516L52.1Low53.4Low44 Ų4471.9 Ų71.923%0.2338%0.375CS..THydrogen-bonded Turntrans-765.3173.3-63.3174.3000113.4V382 A383 M512 M518V382-L516 HydrophobicContact CB-CD2 3.99Å; V382-L516 HydrophobicContact CG1-CD2 4.07Å; A383-L516 HydrophobicContact CB-CD1 4.01Å; M512-L516 HydrophobicContact CE-CD1 4.26Å; M512-L516 HydrophobicContact CG-CD1 3.87Å; M512-L516 HydrophobicContact CG-CG 4.43Å; M512-L516 WeakPolarHBondContact O-CB 3.41Å; M512-L516 VanDerWaalsContact O-CG 3.25Å; M512-L516 WeakPolarHBondContact O-CG 3.4Å; M512-L516 PolarHBondContact O-N 2.8Å; M512-L516 HydrophobicContact SD-CD1 4.48Å; L516-M518 HydrophobicContact CB-CG 3.72Å; L516-M518 HydrophobicContact CB-SD 3.98Å; L516-M518 HydrophobicContact CD1-SD 4.03Å; L516-M518 WeakPolarHBondContact O-CG 3.24Å; L516-M518 PolarHBondContact O-N 3.48Å; L516-M518 VanDerWaalsContact O-N 3.09Å
517D51.2Low50.9Low101 Ų10175.2 Ų75.254%0.5440%0.401SS..THydrogen-bonded Turntrans55.625.6-176.8-145.211.9000113.3K295 L513 A514 E515K295-D517 IonicContact NZ-OD2 2.78Å; K295-D517 PolarHBondContact NZ-OD2 3.14Å; L513-D517 PolarHBondContact O-N 2.84Å; A514-D517 PolarHBondContact O-N 3.22Å; E515-D517 PolarHBondContact O-N 3.43Å
518M55.1Low49.2Very low72 Ų7280.2 Ų80.236%0.35542%0.421SS..  trans-89.1-6.8-178.9-62.3-172.472.800112.7C370 V372 L513 L516 K520C370-M518 HydrophobicContact CB-CE 4.37Å; V372-M518 HydrophobicContact CG2-CE 3.73Å; V372-M518 HydrophobicContact CG2-SD 3.6Å; L513-M518 HydrophobicContact CB-CB 4.35Å; L513-M518 HydrophobicContact CD2-CB 3.8Å; L513-M518 HydrophobicContact CD2-CE 4.39Å; L513-M518 HydrophobicContact CD2-CG 4.43Å; L513-M518 HydrophobicContact CD2-SD 3.91Å; L513-M518 WeakPolarHBondContact O-CA 3.18Å; L513-M518 WeakPolarHBondContact O-CB 3.16Å; L513-M518 PolarHBondContact O-N 2.8Å; L516-M518 HydrophobicContact CB-CG 3.72Å; L516-M518 HydrophobicContact CB-SD 3.98Å; L516-M518 HydrophobicContact CD1-SD 4.03Å; L516-M518 WeakPolarHBondContact O-CG 3.24Å; L516-M518 PolarHBondContact O-N 3.48Å; L516-M518 VanDerWaalsContact O-N 3.09Å; M518-K520 PolarHBondContact O-N 2.76Å
519L53.2Low47.6Very low23 Ų2386.5 Ų86.512%0.1246%0.455CS..SBendtrans-86.893.1169.6-64-178.4000109.7L362 F366 L369 V510 L513 A514 D521L362-L519 HydrophobicContact CD2-CD1 3.88Å; F366-L519 HydrophobicContact CD2-CD2 4.46Å; F366-L519 HydrophobicContact CE2-CB 4.47Å; L369-L519 HydrophobicContact CD2-CD2 3.99Å; V510-L519 HydrophobicContact CG1-CD1 4.09Å; L513-L519 HydrophobicContact CB-CD2 3.87Å; L513-L519 HydrophobicContact CB-CG 3.91Å; L513-L519 HydrophobicContact CD1-CD2 4.36Å; L513-L519 PolarHBondContact O-N 2.89Å; A514-L519 HydrophobicContact CB-CD1 3.53Å; A514-L519 HydrophobicContact CB-CG 4.35Å; L519-D521 PolarHBondContact O-N 3.29Å
520K45.1Very low45.7Very low174 Ų17489.4 Ų89.476%0.75749%0.485SS*.  trans-65115.7173.2-69.9-170.8177.8-174.80110.2F366 M518F366-K520 WeakPolarHBondContact CE1-O 3.11Å; F366-K520 WeakPolarHBondContact CZ-O 3.13Å; M518-K520 PolarHBondContact O-N 2.76Å
521D37.3Very low43.8Very low93 Ų9397 Ų9750%0.49753%0.525SS..  trans-56133.4178.5-162.116.5000111.9L519 S523 F524L519-D521 PolarHBondContact O-N 3.29Å; D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 PolarHBondContact O-N 3.32Å; D521-S523 VanDerWaalsContact O-N 3.09Å; D521-S523 PolarHBondContact OD2-OG 2.85Å; D521-F524 PolarHBondContact O-N 2.9Å
522P33.8Very low43Very low76 Ų7695.3 Ų95.349%0.49454%0.543SS..G310 helixtrans-66.6-8.6178.1-16.131.1000113.4F366 F524 R525F366-P522 HydrophobicContact CE1-CG 3.84Å; F366-P522 HydrophobicContact CZ-CG 3.88Å; P522-F524 PolarHBondContact O-N 2.89Å; P522-R525 PolarHBondContact O-N 3.49Å
523S36.2Very low41Very low70 Ų70104.4 Ų104.449%0.4959%0.585SS.*G310 helixtrans-62.1-4.1174.6680000114D521D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 PolarHBondContact O-N 3.32Å; D521-S523 VanDerWaalsContact O-N 3.09Å; D521-S523 PolarHBondContact OD2-OG 2.85Å
524F37.5Very low39.3Very low164 Ų164109.6 Ų109.672%0.71962%0.622SS**G310 helixtrans-931173-107.7-85.2000115.5D521 P522D521-F524 PolarHBondContact O-N 2.9Å; P522-F524 PolarHBondContact O-N 2.89Å
525R31.7Very low37.9Very low231 Ų231116.8 Ų116.887%0.87265%0.647SS**SBendtrans-90.4101.3159.9-91.1-170.2171.3-178.7-2.8108.1P522 S527P522-R525 PolarHBondContact O-N 3.49Å; R525-S527 PolarHBondContact O-N 3.33Å
526G31.5Very low36.8Very low65 Ų65118.6 Ų118.667%0.6766%0.66SS**  trans-46137.216800000110.1D528G526-D528 PolarHBondContact O-N 3.28Å; G526-D528 VanDerWaalsContact O-N 3.14Å
527S29.6Very low35.6Very low112 Ų112119.5 Ų119.578%0.78368%0.68SS**  trans-49119.1159.347.40000107.9R525 D529R525-S527 PolarHBondContact O-N 3.33Å; S527-D529 VanDerWaalsContact C-N 3.28Å; S527-D529 PolarHBondContact O-N 2.97Å
528D34.3Very low34.5Very low160 Ų160118.8 Ų118.886%0.85668%0.683SS**SBendtrans-68.285.2176.1-166.423.9000108.3G526G526-D528 PolarHBondContact O-N 3.28Å; G526-D528 VanDerWaalsContact O-N 3.14Å
529D32.4Very low33.2Very low154 Ų154121.7 Ų121.782%0.82471%0.707SS**  trans-147.890.7164.4-84.3-39.1000108.4S527S527-D529 VanDerWaalsContact C-N 3.28Å; S527-D529 PolarHBondContact O-N 2.97Å
530G32Very low32.2Very low63 Ų63126.6 Ų126.665%0.64974%0.738SS**SBendtrans48.995150.400000120.2
531D28.5Very low31.3Very low172 Ų172121.3 Ų121.392%0.9273%0.733SS**  169.6127.9105.9-82.8-20.9000109.6E533D531-E533 PolarHBondContact O-N 2.92Å
532G40.5Very low30.9Very low77 Ų77122.3 Ų122.379%0.79475%0.747SS**  trans-75.8122.7-161.200000114.6
533E28.3Very low30.7Very low192 Ų192125.6 Ų125.690%0.89776%0.759SS**  trans-140.3130.7139.4-72.4-161.1160.500109.7D531 F535D531-E533 PolarHBondContact O-N 2.92Å; E533-F535 PolarHBondContact O-N 2.96Å
534S27.1Very low30.3Very low109 Ų109129.8 Ų129.876%0.76278%0.776SS**  trans-65.5116.6-174.51720000111.8
535F26.5Very low29.9Very low186 Ų186129.6 Ų129.682%0.81678%0.781SS**  trans-9887.8173.5-152.5-93.2000110.1E533E533-F535 PolarHBondContact O-N 2.96Å
536N28.6Very low29.6Very low153 Ų153123.8 Ų123.882%0.81878%0.776SS**  trans-97120.8159.2-77.9-18.5000105.6
537G27.3Very low29.5Very low62 Ų62128.7 Ų128.764%0.63979%0.786SS**  149.6164.255.400000107.2
538S27.1Very low29.5Very low87 Ų87130.4 Ų130.461%0.60879%0.787SS**  trans-45.9156.3179.3-131.20000114.6T540S538-T540 PolarHBondContact O-N 3.22Å
539P28.3Very low29.3Very low133 Ų133130.2 Ų130.286%0.86479%0.786SS**SBendtrans-69.48-178.4-11.326.7000115.4
540T31.9Very low29.1Very low126 Ų126131.7 Ų131.777%0.77379%0.792SS**  trans-106.270.7-178.856.60000109.4S538S538-T540 PolarHBondContact O-N 3.22Å
541G25.9Very low29Very low62 Ų62133.6 Ų133.664%0.63980%0.796SS**  trans-105.7102.8173.100000110.3I543G541-I543 PolarHBondContact O-N 3.37Å
542S29Very low29.2Very low115 Ų115133 Ų13380%0.80479%0.792SS**  trans-50.2120.5167.347.30000111.3N544S542-N544 PolarHBondContact O-N 2.96Å
543I29.8Very low28.7Very low145 Ų145136.2 Ų136.274%0.74480%0.797SS**  trans-77.8100177.7-36173.6000108.3G541 L545G541-I543 PolarHBondContact O-N 3.37Å; I543-L545 HydrophobicContact CG2-CD1 4.4Å; I543-L545 HydrophobicContact CG2-CG 3.92Å
544N28Very low28.7Very low157 Ų157132.3 Ų132.384%0.8479%0.79SS**  trans-86.5105.7155.5-89.4-29.4000106.8S542 S546S542-N544 PolarHBondContact O-N 2.96Å; N544-S546 PolarHBondContact O-N 2.88Å
545L29Very low29.1Very low160 Ų160132.5 Ų132.584%0.83879%0.792SS**  trans-78.6109.2171.1-82.3155.4000109I543I543-L545 HydrophobicContact CG2-CD1 4.4Å; I543-L545 HydrophobicContact CG2-CG 3.92Å
546S25.4Very low29.4Very low109 Ų109131 Ų13176%0.76279%0.792SS**  trans-75138.7162.351.20000110.2N544 D548N544-S546 PolarHBondContact O-N 2.88Å; S546-D548 VanDerWaalsContact C-N 3.34Å; S546-D548 PolarHBondContact O-N 3.43Å
547L30.1Very low30.1Very low169 Ų169129.6 Ų129.689%0.88579%0.785SS**SBendtrans-84.129.6-163.5-164.972.1000115
548D29.2Very low31Very low147 Ų147132 Ų13279%0.78679%0.792SS**  trans-140.682-175.9-77.7-42.6000110.8S546S546-D548 VanDerWaalsContact C-N 3.34Å; S546-D548 PolarHBondContact O-N 3.43Å
549D30.2Very low32.4Very low156 Ų156130.7 Ų130.783%0.83478%0.78SS**  trans-177.674.8146.5-106.7-18.8000111.2
550L28.4Very low34.1Very low185 Ų185130.8 Ų130.897%0.96977%0.769SS**  trans-142.577.5161.7-76.8177.7000109.6
551S30.6Very low36.1Very low103 Ų103125.7 Ų125.772%0.7274%0.737SS**  trans-138.184.5157.861.80000110.3
552N32.9Very low38.8Very low159 Ų159127.1 Ų127.185%0.8573%0.727SS**  trans161.292.8140.4-88.2-21.7000110.9
553V29.1Very low41.5Very low145 Ų145121.6 Ų121.688%0.87969%0.688SS**  trans-142.7134.8142.6-175.60000108.4
554S27.3Very low44Very low110 Ų110118.7 Ų118.777%0.76967%0.669SS**  trans-58.1141.3-173.446.30000115.1
555S35.8Very low46.6Very low114 Ų114111.8 Ų111.880%0.79763%0.631SS**  trans-62.8124.4167.644.40000113.1
556D34.4Very low48.8Very low153 Ų153104.8 Ų104.882%0.81860%0.596SS**  trans-157.9136141.6-129.2-5.1000113.3
557D43Very low50.4Low125 Ų125104.8 Ų104.867%0.66859%0.587SS**  trans4879.9166.8-73.4-15.3000121.5
558S46.4Very low51.3Low111 Ų11199 Ų9978%0.77656%0.559SS**  trans-99.2113.8164.566.70000112.8Q560S558-Q560 PolarHBondContact O-N 3.06Å
559V56.6Low51.7Low61 Ų6197.1 Ų97.137%0.3755%0.553SS.*  trans-64.8117.5165.4174.20000109.1R598 N600V559-R598 HydrophobicContact CG1-CG 4.08Å; V559-N600 WeakPolarHBondContact CG1-OD1 3.34Å
560Q64.3Low51.9Low134 Ų13499.1 Ų99.163%0.62655%0.55SS**EExtended strand (participates in β ladder)trans-89.5111.3179.8-161.7170.719.100109.9S558 R599S558-Q560 PolarHBondContact O-N 3.06Å; Q560-R599 PolarHBondContact O-N 3.31Å; Q560-R599 VanDerWaalsContact O-N 3.09Å
561L73.7Confident52.1Low20 Ų2094.8 Ų94.811%0.10554%0.541CS..EExtended strand (participates in β ladder)trans-106.7125.5177.6-151.4107.3000109.8V596 R598 W607 L665 Y681 L684L561-V596 HydrophobicContact CD2-CG1 3.94Å; L561-V596 HydrophobicContact CG-CG1 4.21Å; L561-R598 HydrophobicContact CD1-CB 3.96Å; L561-R598 HydrophobicContact CD1-CG 3.99Å; L561-W607 HydrophobicContact CD1-CH2 4.49Å; L561-L665 HydrophobicContact CD2-CD2 4.05Å; L561-Y681 HydrophobicContact CB-CE1 3.98Å; L561-Y681 HydrophobicContact CD1-CD1 4.02Å; L561-Y681 HydrophobicContact CD1-CE1 3.71Å; L561-Y681 HydrophobicContact CD2-CD1 3.9Å; L561-Y681 HydrophobicContact CD2-CE1 3.83Å; L561-Y681 HydrophobicContact CG-CD1 4.46Å; L561-Y681 HydrophobicContact CG-CE1 4.03Å; L561-L684 HydrophobicContact CD2-CD1 3.54Å
562H81.1Confident52.4Low91 Ų9196.7 Ų96.742%0.42154%0.543SS..EExtended strand (participates in β ladder)trans-123.5132.9175.4-172.965.1000109.3H597 Q662H562-H597 HydrophobicContact CB-CB 4.47Å; H562-H597 PolarHBondContact N-O 3.41Å; H562-H597 PolarHBondContact O-N 2.84Å; H562-Q662 PolarHBondContact CE1-OE1 3.42Å
563A85.4Confident52.8Low0 Ų0100.1 Ų100.10%055%0.546CS..EExtended strand (participates in β ladder)trans-141.6151.4175.400000110.8I594 T595 V596 L661 Q662 L665 L684A563-I594 HydrophobicContact CB-CG2 4.12Å; A563-T595 CarbonylContact C-O 3.54Å; A563-T595 WeakPolarHBondContact CA-O 3.35Å; A563-T595 WeakPolarHBondContact CB-O 3.38Å; A563-V596 HydrophobicContact CB-CB 4.2Å; A563-V596 HydrophobicContact CB-CG1 4.19Å; A563-V596 HydrophobicContact CB-CG2 3.86Å; A563-L661 VanDerWaalsContact C-CD2 3.42Å; A563-L661 HydrophobicContact CB-CD2 3.85Å; A563-L661 WeakPolarHBondContact O-CD2 3.22Å; A563-Q662 PolarHBondContact O-NE2 3.41Å; A563-L665 HydrophobicContact CB-CD1 3.73Å; A563-L684 HydrophobicContact CB-CD1 4.1Å; A563-L684 HydrophobicContact CB-CD2 4.32Å
564Y83.9Confident53.2Low83 Ų8398.4 Ų98.433%0.32553%0.532SS..EExtended strand (participates in β ladder)trans-152.2155.5178.163.3-87.8000110.9S566 I594 T595 H597 N658Y564-S566 PolarHBondContact O-N 3.34Å; Y564-I594 WeakPolarHBondContact O-CA 3.27Å; Y564-T595 HydrophobicContact CE1-CG2 4.28Å; Y564-T595 PolarHBondContact N-O 2.84Å; Y564-T595 PolarHBondContact O-N 2.9Å; Y564-H597 AromaticContact CE1-CD2 3.95Å; Y564-H597 AromaticContact CE1-NE2 3.64Å; Y564-N658 WeakPolarHBondContact CA-OD1 3.44Å
565I82.3Confident53.7Low12 Ų1299 Ų996%0.06253%0.533CS..EExtended strand (participates in β ladder)trans-79.9111.2177.3-53.1-176.8000108.8Y592 A593 I594 F616 K654 L657 N658I565-Y592 HydrophobicContact CG2-CD1 4.43Å; I565-A593 CarbonylContact C-O 3.6Å; I565-A593 WeakPolarHBondContact CA-O 3.15Å; I565-A593 WeakPolarHBondContact CG2-O 3.36Å; I565-I594 HydrophobicContact CG1-CG1 4.41Å; I565-F616 HydrophobicContact CD1-CZ 4.08Å; I565-K654 HydrophobicContact CB-CG 4.48Å; I565-K654 HydrophobicContact CG2-CG 3.93Å; I565-L657 HydrophobicContact CD1-CB 3.57Å; I565-N658 HydrophobicContact CB-CB 4.34Å; I565-N658 HydrophobicContact CD1-CB 4.18Å; I565-N658 HydrophobicContact CG1-CB 4.15Å; I565-N658 PolarHBondContact N-OD1 2.89Å
566S73.8Confident54.1Low13 Ų13100.8 Ų100.89%0.09152%0.523CS..  trans-88.8153.9-176.756.40000113Y564 T568 A593 T595Y564-S566 PolarHBondContact O-N 3.34Å; S566-T568 PolarHBondContact O-N 3.49Å; S566-A593 PolarHBondContact N-O 2.84Å; S566-A593 PolarHBondContact OG-O 3.38Å; S566-T595 VanDerWaalsContact CB-OG1 3.24Å; S566-T595 WeakPolarHBondContact CB-OG1 3.36Å; S566-T595 PolarHBondContact OG-OG1 2.91Å
567D60.1Low54.5Low109 Ų10996.5 Ų96.558%0.58351%0.509SS*.  trans-65.8126.6167.6-63.9-36.7000110.5V569 K654D567-V569 PolarHBondContact O-N 2.82Å; D567-K654 IonicContact OD1-NZ 3.81Å; D567-K654 PolarHBondContact OD1-NZ 3.23Å
568T48Very low54.7Low47 Ų4791.8 Ų91.829%0.28849%0.485SS..  trans-73115.4175.337.80000109.8S566 A593S566-T568 PolarHBondContact O-N 3.49Å; T568-A593 HydrophobicContact CG2-CB 3.71Å
569V38.5Very low55Low108 Ų10887.1 Ų87.166%0.65545%0.453SS*.  trans-108.4130.8172-164.20000109.2D567D567-V569 PolarHBondContact O-N 2.82Å
570Y34.6Very low55Low199 Ų19985.6 Ų85.678%0.7845%0.449SS*.  trans90.995.9173.1-64.7-75.2000119
571A31.8Very low54.5Low94 Ų9483 Ų8378%0.77744%0.443SS*.SBend-130135.4103.600000107.6
572D37.6Very low53.6Low142 Ų14284 Ų8476%0.75945%0.451SS*.SBendtrans-46.6138.7-178.6-91.2-40.6000112.9
573Y40.7Very low52.2Low231 Ų23185.5 Ų85.591%0.90646%0.462SS*.SBendtrans7466.7-179.9-76.3-91.5000118.2
574D37.5Very low49.9Very low110 Ų11089.3 Ų89.359%0.58848%0.482SS*.  trans-166.6122.7136-154.9-22.3000111.5Y576D574-Y576 PolarHBondContact O-N 2.94Å; D574-Y576 VanDerWaalsContact O-N 3.11Å; D574-Y576 WeakPolarHBondContact OD1-CD2 3.33Å; D574-Y576 PolarHBondContact OD1-N 3.14Å
575P38Very low47.5Very low122 Ų12293.9 Ų93.979%0.79251%0.506SS*.THydrogen-bonded Turntrans-70.97.4174.7-14.729.9000115.4
576Y43.8Very low45.5Very low151 Ų15197.1 Ų97.159%0.59254%0.543SS*.THydrogen-bonded Turntrans-123.317.8-168.5-67-70.9000117.3D574 V578D574-Y576 PolarHBondContact O-N 2.94Å; D574-Y576 VanDerWaalsContact O-N 3.11Å; D574-Y576 WeakPolarHBondContact OD1-CD2 3.33Å; D574-Y576 PolarHBondContact OD1-N 3.14Å; Y576-V578 PolarHBondContact O-N 3.14Å
577A43.9Very low44.2Very low63 Ų63104.1 Ų104.152%0.52157%0.572SS.*  trans-89.6108.1-175.100000114.6
578V46.8Very low44Very low27 Ų27102.2 Ų102.216%0.16456%0.564CS.*SBendtrans-97.9-22.3178.5167.80000113.3Y576 E651 K654Y576-V578 PolarHBondContact O-N 3.14Å; V578-E651 HydrophobicContact CB-CG 4.27Å; V578-E651 WeakPolarHBondContact CB-OE1 3.48Å; V578-E651 HydrophobicContact CG1-CB 4.43Å; V578-E651 HydrophobicContact CG1-CG 3.57Å; V578-E651 WeakPolarHBondContact CG1-OE1 3.24Å; V578-E651 WeakPolarHBondContact CG1-OE2 3.34Å; V578-E651 HydrophobicContact CG2-CG 4.05Å; V578-E651 WeakPolarHBondContact CG2-OE1 3.49Å; V578-K654 HydrophobicContact CG1-CD 4.01Å
579A52.9Low45Very low12 Ų12103.1 Ų103.110%0.09956%0.563CS.*SBendtrans-151.3132.717500000108.4V581 A590A579-V581 PolarHBondContact O-N 3.27Å; A579-A590 HydrophobicContact CB-CB 4.25Å
580G55.5Low46.7Very low29 Ų2998.5 Ų98.530%0.29954%0.536SS..EExtended strand (participates in β ladder)trans-63107.8175.900000109.7L591G580-L591 PolarHBondContact O-N 3.31Å
581V54.9Low48.7Very low81 Ų8191 Ų9149%0.49151%0.509SS..EExtended strand (participates in β ladder)trans-81.1116.6174.2177.10000108.1A579 T588 M645A579-V581 PolarHBondContact O-N 3.27Å; V581-T588 HydrophobicContact CG1-CG2 3.29Å; V581-M645 HydrophobicContact CB-CE 3.95Å; V581-M645 HydrophobicContact CG1-CE 3.39Å; V581-M645 HydrophobicContact CG2-CE 3.39Å
582C54.4Low51.2Low41 Ų4186.8 Ų86.828%0.27747%0.473SS..EExtended strand (participates in β ladder)trans-108.4142.1179-63.10000110.5T588 Y589 L591C582-T588 WeakPolarHBondContact O-CA 3.4Å; C582-Y589 HydrophobicContact CB-CD2 4.28Å; C582-Y589 HydrophobicContact CB-CE1 4.38Å; C582-Y589 HydrophobicContact CB-CE2 3.72Å; C582-Y589 PolarHBondContact N-O 3.47Å; C582-Y589 PolarHBondContact O-N 3.25Å; C582-L591 HydrophobicContact CB-CD1 4.42Å; C582-L591 WeakPolarHBondContact SG-CD1 3.42Å
583N50.9Low53.4Low121 Ų12180.1 Ų80.165%0.64744%0.438SS*.EExtended strand (participates in β ladder)trans-110.8119170.3-87.2-20.4000108.5T588N583-T588 VanDerWaalsContact OD1-CA 3.26Å; N583-T588 WeakPolarHBondContact OD1-CA 3.41Å; N583-T588 WeakPolarHBondContact OD1-CB 3.2Å; N583-T588 WeakPolarHBondContact OD1-CG2 3.48Å; N583-T588 PolarHBondContact OD1-OG1 3.01Å
584D38Very low55.6Low81 Ų8169.1 Ų69.143%0.43340%0.395SS..EExtended strand (participates in β ladder)trans-131.2130.1172.5-168.424.7000109.1G586 K587 Y589D584-G586 PolarHBondContact O-N 3.35Å; D584-K587 PolarHBondContact N-O 2.91Å; D584-K587 PolarHBondContact O-N 3.3Å; D584-Y589 HydrophobicContact CB-CE1 3.79Å
585H33.5Very low57.9Low178 Ų17864 Ų6482%0.82437%0.368SS*.THydrogen-bonded Turntrans47.737179-61.580000115.3K587H585-K587 PolarHBondContact O-N 3.43Å
586G39.8Very low60.3Low81 Ų8158.2 Ų58.284%0.83533%0.33SS*.THydrogen-bonded Turntrans79.78.6179.800000115.5D584D584-G586 PolarHBondContact O-N 3.35Å
587K46.1Very low62.1Low160 Ų16052.9 Ų52.970%0.69631%0.31SS*.EExtended strand (participates in β ladder)trans-113.6124.9174.7-66.4179.9-176.5171.90110.7D584 H585D584-K587 PolarHBondContact N-O 2.91Å; D584-K587 PolarHBondContact O-N 3.3Å; H585-K587 PolarHBondContact O-N 3.43Å
588T56.8Low63.9Low68 Ų6854.2 Ų54.242%0.41730%0.302SS..EExtended strand (participates in β ladder)trans-89131176.3-44.50000110.7V581 C582 N583 M645V581-T588 HydrophobicContact CG1-CG2 3.29Å; C582-T588 WeakPolarHBondContact O-CA 3.4Å; N583-T588 VanDerWaalsContact OD1-CA 3.26Å; N583-T588 WeakPolarHBondContact OD1-CA 3.41Å; N583-T588 WeakPolarHBondContact OD1-CB 3.2Å; N583-T588 WeakPolarHBondContact OD1-CG2 3.48Å; N583-T588 PolarHBondContact OD1-OG1 3.01Å; T588-M645 HydrophobicContact CG2-CE 3.9Å; T588-M645 HydrophobicContact CG2-CG 4.4Å; T588-M645 HydrophobicContact CG2-SD 4.36Å
589Y70Confident65.1Low67 Ų6760.8 Ų60.826%0.26332%0.323SS..EExtended strand (participates in β ladder)trans-144.3153.9174.957-89000112.3C582 D584 L591 R612C582-Y589 HydrophobicContact CB-CD2 4.28Å; C582-Y589 HydrophobicContact CB-CE1 4.38Å; C582-Y589 HydrophobicContact CB-CE2 3.72Å; C582-Y589 PolarHBondContact N-O 3.47Å; C582-Y589 PolarHBondContact O-N 3.25Å; D584-Y589 HydrophobicContact CB-CE1 3.79Å; Y589-L591 HydrophobicContact CD2-CD2 4.32Å; Y589-L591 HydrophobicContact CD2-CG 4.13Å; Y589-L591 HydrophobicContact CE2-CD1 4.17Å; Y589-L591 HydrophobicContact CE2-CD2 4.02Å; Y589-L591 HydrophobicContact CE2-CG 3.83Å; Y589-R612 HydrophobicContact CD2-CB 4.47Å
590A72.9Confident65.8Low11 Ų1162.3 Ų62.39%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-90132.5173.500000111A579 M645 L650A579-A590 HydrophobicContact CB-CB 4.25Å; A590-M645 HydrophobicContact CB-CE 4.33Å; A590-L650 HydrophobicContact CB-CD1 4.32Å; A590-L650 HydrophobicContact CB-CD2 3.66Å
591L77.2Confident65.9Low41 Ų4168 Ų6822%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-101.5134.5168.3-75.3174.4000110.7G580 C582 Y589 R612G580-L591 PolarHBondContact O-N 3.31Å; C582-L591 HydrophobicContact CB-CD1 4.42Å; C582-L591 WeakPolarHBondContact SG-CD1 3.42Å; Y589-L591 HydrophobicContact CD2-CD2 4.32Å; Y589-L591 HydrophobicContact CD2-CG 4.13Å; Y589-L591 HydrophobicContact CE2-CD1 4.17Å; Y589-L591 HydrophobicContact CE2-CD2 4.02Å; Y589-L591 HydrophobicContact CE2-CG 3.83Å; L591-R612 HydrophobicContact CD2-CB 4.16Å
592Y83.8Confident66Low5 Ų572.2 Ų72.22%0.0237%0.372CS..EExtended strand (participates in β ladder)trans-103.1123.7174.5-58.1-81.7000109I565 R611 F616 R653 K654 L657I565-Y592 HydrophobicContact CG2-CD1 4.43Å; Y592-R611 WeakPolarHBondContact CD2-O 3.37Å; Y592-R611 PolarHBondContact N-O 2.94Å; Y592-R611 PolarHBondContact O-N 3.4Å; Y592-F616 HydrophobicContact CD2-CE2 4.38Å; Y592-R653 WeakPolarHBondContact OH-CD 3.41Å; Y592-K654 HydrophobicContact CD1-CB 4.26Å; Y592-K654 HydrophobicContact CD1-CG 4.42Å; Y592-K654 HydrophobicContact CE1-CB 3.98Å; Y592-L657 HydrophobicContact CD1-CD1 4.35Å; Y592-L657 HydrophobicContact CD2-CD1 3.85Å; Y592-L657 HydrophobicContact CE1-CD1 4.17Å; Y592-L657 HydrophobicContact CE2-CD1 3.64Å; Y592-L657 HydrophobicContact CG-CD1 4.21Å
593A83.1Confident66.1Low3 Ų372.8 Ų72.83%0.02538%0.377CS..EExtended strand (participates in β ladder)trans-86.2117.2175.600000109.7I565 S566 T568 Y610I565-A593 CarbonylContact C-O 3.6Å; I565-A593 WeakPolarHBondContact CA-O 3.15Å; I565-A593 WeakPolarHBondContact CG2-O 3.36Å; S566-A593 PolarHBondContact N-O 2.84Å; S566-A593 PolarHBondContact OG-O 3.38Å; T568-A593 HydrophobicContact CG2-CB 3.71Å; A593-Y610 HydrophobicContact CB-CD1 4.06Å; A593-Y610 HydrophobicContact CB-CE1 3.86Å
594I88.1Confident67.2Low0 Ų073.4 Ų73.40%038%0.376CS..EExtended strand (participates in β ladder)trans-102.8119.7178.8-48.9175000107.6A563 Y564 I565 V596 K608 T609 R611 F616 L661 F683 L684A563-I594 HydrophobicContact CB-CG2 4.12Å; Y564-I594 WeakPolarHBondContact O-CA 3.27Å; I565-I594 HydrophobicContact CG1-CG1 4.41Å; I594-V596 HydrophobicContact CG2-CG2 4.2Å; I594-K608 CarbonylContact O-C 3.5Å; I594-K608 VanDerWaalsContact O-CA 3.31Å; I594-K608 WeakPolarHBondContact O-CA 3.33Å; I594-T609 HydrophobicContact CB-CG2 3.9Å; I594-T609 HydrophobicContact CD1-CG2 4.33Å; I594-T609 PolarHBondContact N-O 3.48Å; I594-T609 PolarHBondContact O-N 3.38Å; I594-R611 HydrophobicContact CD1-CB 4.05Å; I594-R611 HydrophobicContact CD1-CG 3.63Å; I594-F616 HydrophobicContact CD1-CE1 4.28Å; I594-F616 HydrophobicContact CD1-CE2 4.14Å; I594-F616 HydrophobicContact CD1-CZ 3.52Å; I594-F616 HydrophobicContact CG1-CZ 4.21Å; I594-L661 HydrophobicContact CD1-CD1 4.09Å; I594-L661 HydrophobicContact CG2-CD1 3.92Å; I594-F683 HydrophobicContact CD1-CE1 4.11Å; I594-L684 HydrophobicContact CD1-CD2 4.37Å; I594-L684 HydrophobicContact CG2-CD2 3.91Å
595T84.9Confident69.3Low3 Ų373.9 Ų73.92%0.01838%0.376CS..EExtended strand (participates in β ladder)trans-91.9127.8171.9-61.30000108.3A563 Y564 S566 M606 K608A563-T595 CarbonylContact C-O 3.54Å; A563-T595 WeakPolarHBondContact CA-O 3.35Å; A563-T595 WeakPolarHBondContact CB-O 3.38Å; Y564-T595 HydrophobicContact CE1-CG2 4.28Å; Y564-T595 PolarHBondContact N-O 2.84Å; Y564-T595 PolarHBondContact O-N 2.9Å; S566-T595 VanDerWaalsContact CB-OG1 3.24Å; S566-T595 WeakPolarHBondContact CB-OG1 3.36Å; S566-T595 PolarHBondContact OG-OG1 2.91Å; T595-M606 HydrophobicContact CG2-CG 4.06Å; T595-M606 HydrophobicContact CG2-SD 4.3Å; T595-K608 WeakPolarHBondContact OG1-CE 3.23Å
596V88Confident71.6Confident0 Ų071.1 Ų71.10%037%0.365CS..EExtended strand (participates in β ladder)trans-118.8129.9-176.3-173.50000108.9L561 A563 I594 M606 W607 T609 L684L561-V596 HydrophobicContact CD2-CG1 3.94Å; L561-V596 HydrophobicContact CG-CG1 4.21Å; A563-V596 HydrophobicContact CB-CB 4.2Å; A563-V596 HydrophobicContact CB-CG1 4.19Å; A563-V596 HydrophobicContact CB-CG2 3.86Å; I594-V596 HydrophobicContact CG2-CG2 4.2Å; V596-M606 VanDerWaalsContact O-CA 3.29Å; V596-M606 WeakPolarHBondContact O-CA 3.5Å; V596-W607 HydrophobicContact CB-CD2 4.05Å; V596-W607 HydrophobicContact CB-CH2 4.36Å; V596-W607 HydrophobicContact CB-CZ2 3.83Å; V596-W607 HydrophobicContact CG1-CD2 4.4Å; V596-W607 HydrophobicContact CG1-CH2 3.66Å; V596-W607 HydrophobicContact CG1-CZ2 3.37Å; V596-W607 HydrophobicContact CG1-CZ3 4.28Å; V596-W607 HydrophobicContact CG2-CZ2 4.4Å; V596-W607 PolarHBondContact N-O 2.92Å; V596-W607 PolarHBondContact O-N 3.29Å; V596-T609 HydrophobicContact CG2-CG2 4.48Å; V596-L684 HydrophobicContact CG2-CB 4.09Å; V596-L684 HydrophobicContact CG2-CD2 4.14Å
597H82.8Confident73.7Confident39 Ų3970 Ų7018%0.18134%0.335CS..EExtended strand (participates in β ladder)trans-115126.1174.4-67.5-113.2000109.2H562 Y564 E605 M606H562-H597 HydrophobicContact CB-CB 4.47Å; H562-H597 PolarHBondContact N-O 3.41Å; H562-H597 PolarHBondContact O-N 2.84Å; Y564-H597 AromaticContact CE1-CD2 3.95Å; Y564-H597 AromaticContact CE1-NE2 3.64Å; H597-E605 WeakPolarHBondContact CA-O 3.29Å; H597-M606 WeakPolarHBondContact CE1-CE 3.38Å; H597-M606 WeakPolarHBondContact NE2-CE 3.38Å
598R81.6Confident75.3Confident90 Ų9066.9 Ų66.934%0.3432%0.322SS..EExtended strand (participates in β ladder)trans-117.2122.3173.6180-177.8-178177.16.5109V559 L561 N600 E604 E605 W607V559-R598 HydrophobicContact CG1-CG 4.08Å; L561-R598 HydrophobicContact CD1-CB 3.96Å; L561-R598 HydrophobicContact CD1-CG 3.99Å; R598-N600 PolarHBondContact NE-ND2 3.11Å; R598-N600 PolarHBondContact NE-OD1 3.44Å; R598-E604 WeakPolarHBondContact O-CA 3.48Å; R598-E605 HydrophobicContact CB-CB 4.43Å; R598-E605 PolarHBondContact N-O 3.41Å; R598-E605 PolarHBondContact O-N 3.23Å; R598-W607 HydrophobicContact CB-CH2 4.15Å; R598-W607 HydrophobicContact CB-CZ3 3.89Å
599R72.5Confident76.7Confident165 Ų16563.8 Ų63.862%0.62330%0.303SS*.EExtended strand (participates in β ladder)trans-109114.3175.1-164.4173.1-171.8164.13.7110.1Q560Q560-R599 PolarHBondContact O-N 3.31Å; Q560-R599 VanDerWaalsContact O-N 3.09Å
600N67.8Low77.3Confident45 Ų4566.5 Ų66.524%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-105.1165.8169.1-60.6-36000109.2V559 R598 N602 S603V559-N600 WeakPolarHBondContact CG1-OD1 3.34Å; R598-N600 PolarHBondContact NE-ND2 3.11Å; R598-N600 PolarHBondContact NE-OD1 3.44Å; N600-N602 PolarHBondContact O-N 2.84Å; N600-S603 PolarHBondContact N-O 3.03Å; N600-S603 PolarHBondContact O-N 3.14Å
601L56.6Low77.9Confident149 Ų14966.1 Ų66.178%0.7831%0.31SS*.THydrogen-bonded Turntrans-51.9-28-177.6-75.8157.6000114.2
602N56.6Low78.2Confident168 Ų16868.1 Ų68.190%0.89831%0.314SS*.THydrogen-bonded Turntrans-130.13.2-177-69.4-15.5000115.3N600N600-N602 PolarHBondContact O-N 2.84Å
603S57.7Low78.2Confident54 Ų5469 Ų6938%0.37832%0.318SS..EExtended strand (participates in β ladder)trans-149.9142.8-179.665.80000113.1N600N600-S603 PolarHBondContact N-O 3.03Å; N600-S603 PolarHBondContact O-N 3.14Å
604E74.1Confident77.8Confident134 Ų13470.6 Ų70.663%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans-115.4117.1171.6-169.9174.3-178.900108.6R598R598-E604 WeakPolarHBondContact O-CA 3.48Å
605E80.6Confident77.6Confident90 Ų9071.2 Ų71.242%0.42133%0.332SS..EExtended strand (participates in β ladder)trans-111.8134.6179.9-70.2173.8-175.900109.7H597 R598 W607H597-E605 WeakPolarHBondContact CA-O 3.29Å; R598-E605 HydrophobicContact CB-CB 4.43Å; R598-E605 PolarHBondContact N-O 3.41Å; R598-E605 PolarHBondContact O-N 3.23Å; E605-W607 HydrophobicContact CB-CE3 4.46Å; E605-W607 HydrophobicContact CB-CZ3 4.26Å
606M82.1Confident77.6Confident120 Ų12071.1 Ų71.159%0.59133%0.331SS*.EExtended strand (participates in β ladder)trans-128.6129.7175.6-177.3-157.9-89.200110.1T595 V596 H597T595-M606 HydrophobicContact CG2-CG 4.06Å; T595-M606 HydrophobicContact CG2-SD 4.3Å; V596-M606 VanDerWaalsContact O-CA 3.29Å; V596-M606 WeakPolarHBondContact O-CA 3.5Å; H597-M606 WeakPolarHBondContact CE1-CE 3.38Å; H597-M606 WeakPolarHBondContact NE2-CE 3.38Å
607W84.5Confident77.3Confident59 Ų5974 Ų7422%0.22335%0.345CS..EExtended strand (participates in β ladder)trans-141.1165.2171.868.692.1000112.2L561 V596 R598 E605 L684 N686L561-W607 HydrophobicContact CD1-CH2 4.49Å; V596-W607 HydrophobicContact CB-CD2 4.05Å; V596-W607 HydrophobicContact CB-CH2 4.36Å; V596-W607 HydrophobicContact CB-CZ2 3.83Å; V596-W607 HydrophobicContact CG1-CD2 4.4Å; V596-W607 HydrophobicContact CG1-CH2 3.66Å; V596-W607 HydrophobicContact CG1-CZ2 3.37Å; V596-W607 HydrophobicContact CG1-CZ3 4.28Å; V596-W607 HydrophobicContact CG2-CZ2 4.4Å; V596-W607 PolarHBondContact N-O 2.92Å; V596-W607 PolarHBondContact O-N 3.29Å; R598-W607 HydrophobicContact CB-CH2 4.15Å; R598-W607 HydrophobicContact CB-CZ3 3.89Å; E605-W607 HydrophobicContact CB-CE3 4.46Å; E605-W607 HydrophobicContact CB-CZ3 4.26Å; W607-L684 PolarHBondContact NE1-O 3.45Å; W607-N686 HydrophobicContact CG-CB 4.41Å
608K80.7Confident76.9Confident94 Ų9473.3 Ų73.341%0.40934%0.342SS..EExtended strand (participates in β ladder)trans-113.3137.5173.3-67.7-173.3179-177.20110.2I594 T595 N686I594-K608 CarbonylContact O-C 3.5Å; I594-K608 VanDerWaalsContact O-CA 3.31Å; I594-K608 WeakPolarHBondContact O-CA 3.33Å; T595-K608 WeakPolarHBondContact OG1-CE 3.23Å; K608-N686 PolarHBondContact O-OD1 2.79Å
609T84.5Confident77Confident2 Ų269.2 Ų69.21%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-127.8151.9172.9-165.90000110.2I594 V596 R611 L684 E685I594-T609 HydrophobicContact CB-CG2 3.9Å; I594-T609 HydrophobicContact CD1-CG2 4.33Å; I594-T609 PolarHBondContact N-O 3.48Å; I594-T609 PolarHBondContact O-N 3.38Å; V596-T609 HydrophobicContact CG2-CG2 4.48Å; T609-R611 VanDerWaalsContact OG1-CZ 3.29Å; T609-R611 PolarHBondContact OG1-NH1 3.49Å; T609-R611 PolarHBondContact OG1-NH2 2.93Å; T609-L684 WeakPolarHBondContact CG2-O 3.24Å; T609-E685 PolarHBondContact OG1-O 2.62Å
610Y84.4Confident77.6Confident125 Ų12562.5 Ų62.549%0.4930%0.303SS..EExtended strand (participates in β ladder)trans-114.9129.2-175-60.7-90.5000110.3A593A593-Y610 HydrophobicContact CB-CD1 4.06Å; A593-Y610 HydrophobicContact CB-CE1 3.86Å
611R84.9Confident77.9Confident3 Ų364 Ų641%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-133.8136.4179.9-62.3-66.4176.2-105.14.6110.3Y592 I594 T609 D615 F616 F683 E685 K687Y592-R611 WeakPolarHBondContact CD2-O 3.37Å; Y592-R611 PolarHBondContact N-O 2.94Å; Y592-R611 PolarHBondContact O-N 3.4Å; I594-R611 HydrophobicContact CD1-CB 4.05Å; I594-R611 HydrophobicContact CD1-CG 3.63Å; T609-R611 VanDerWaalsContact OG1-CZ 3.29Å; T609-R611 PolarHBondContact OG1-NH1 3.49Å; T609-R611 PolarHBondContact OG1-NH2 2.93Å; R611-D615 HydrophobicContact CB-CB 4.28Å; R611-F616 HydrophobicContact CB-CD2 3.97Å; R611-F616 HydrophobicContact CB-CE2 3.58Å; R611-F616 HydrophobicContact CB-CZ 4.36Å; R611-F616 HydrophobicContact CG-CE2 4.5Å; R611-F683 HydrophobicContact CB-CZ 4.08Å; R611-F683 HydrophobicContact CG-CE1 4.06Å; R611-F683 HydrophobicContact CG-CE2 4.05Å; R611-F683 HydrophobicContact CG-CZ 3.61Å; R611-F683 PolarHBondContact NE-O 2.84Å; R611-F683 PolarHBondContact NH2-O 2.96Å; R611-E685 PolarHBondContact NH2-O 2.84Å; R611-K687 PolarHBondContact NH1-O 3.42Å; R611-K687 PolarHBondContact NH2-O 3.13Å
612R83.6Confident78.8Confident82 Ų8259.9 Ų59.931%0.30928%0.283SS..EExtended strand (participates in β ladder)trans-86.5161.2167.653.9178.6-161175.121.7109.8Y589 L591 S614 D615 F616 K691Y589-R612 HydrophobicContact CD2-CB 4.47Å; L591-R612 HydrophobicContact CD2-CB 4.16Å; R612-S614 WeakPolarHBondContact CD-OG 3.35Å; R612-S614 WeakPolarHBondContact CG-OG 3.4Å; R612-S614 VanDerWaalsContact CZ-OG 3.27Å; R612-S614 PolarHBondContact NE-OG 2.82Å; R612-S614 PolarHBondContact NH2-OG 2.85Å; R612-S614 PolarHBondContact O-N 3.38Å; R612-S614 VanDerWaalsContact O-N 3.13Å; R612-D615 HydrophobicContact CG-CB 4.33Å; R612-D615 VanDerWaalsContact CG-OD1 3.29Å; R612-D615 WeakPolarHBondContact CG-OD1 3.33Å; R612-D615 WeakPolarHBondContact CG-OD2 3.3Å; R612-D615 PolarHBondContact N-OD2 2.9Å; R612-D615 IonicContact NE-OD1 3.7Å; R612-D615 PolarHBondContact NE-OD1 2.89Å; R612-D615 WeakPolarHBondContact O-CA 3.31Å; R612-D615 WeakPolarHBondContact O-CB 3.48Å; R612-D615 PolarHBondContact O-N 3.01Å; R612-F616 PolarHBondContact O-N 3.27Å; R612-K691 VanDerWaalsContact CZ-NZ 3.33Å; R612-K691 VanDerWaalsContact NH2-NZ 3.11Å
613Y82.1Confident79.7Confident24 Ų2451.9 Ų51.99%0.09424%0.24CC..Hα-helixtrans-52.7-37.4176.6172-93000112.9D615 F616 H617 L636 P637 G638 K639 R653 L657Y613-D615 VanDerWaalsContact C-N 3.26Å; Y613-D615 PolarHBondContact O-N 3.3Å; Y613-F616 WeakPolarHBondContact O-CB 3.36Å; Y613-F616 PolarHBondContact O-N 3.07Å; Y613-H617 HydrophobicContact CE1-CB 4.41Å; Y613-H617 PolarHBondContact O-N 3.08Å; Y613-L636 HydrophobicContact CE2-CD2 4.47Å; Y613-P637 HydrophobicContact CE2-CG 4.36Å; Y613-P637 VanDerWaalsContact CE2-O 3.23Å; Y613-P637 WeakPolarHBondContact CE2-O 3.41Å; Y613-P637 VanDerWaalsContact CZ-O 3.29Å; Y613-P637 PolarHBondContact OH-O 3.36Å; Y613-G638 VanDerWaalsContact OH-C 3.28Å; Y613-K639 HydrophobicContact CE1-CB 3.93Å; Y613-K639 HydrophobicContact CE1-CD 4.44Å; Y613-K639 HydrophobicContact CE1-CG 3.92Å; Y613-K639 PolarHBondContact OH-N 2.97Å; Y613-R653 HydrophobicContact CD2-CG 4.37Å; Y613-L657 HydrophobicContact CD2-CD1 4.38Å; Y613-L657 HydrophobicContact CD2-CD2 4.33Å
614S75.9Confident80.5Confident37 Ų3750.4 Ų50.426%0.25923%0.229SC..Hα-helixtrans-66.9-26176.236.10000113.4R612 H617 D618R612-S614 WeakPolarHBondContact CD-OG 3.35Å; R612-S614 WeakPolarHBondContact CG-OG 3.4Å; R612-S614 VanDerWaalsContact CZ-OG 3.27Å; R612-S614 PolarHBondContact NE-OG 2.82Å; R612-S614 PolarHBondContact NH2-OG 2.85Å; R612-S614 PolarHBondContact O-N 3.38Å; R612-S614 VanDerWaalsContact O-N 3.13Å; S614-H617 PolarHBondContact O-N 3.04Å; S614-D618 WeakPolarHBondContact O-CB 3.41Å; S614-D618 PolarHBondContact O-N 3.38Å
615D83.8Confident80.1Confident12 Ų1248.3 Ų48.36%0.06422%0.219CC..Hα-helixtrans-71.7-40.4173.4-53.1-24000110.6R611 R612 Y613 H617 D618 F619 F683 Y689 K691R611-D615 HydrophobicContact CB-CB 4.28Å; R612-D615 HydrophobicContact CG-CB 4.33Å; R612-D615 VanDerWaalsContact CG-OD1 3.29Å; R612-D615 WeakPolarHBondContact CG-OD1 3.33Å; R612-D615 WeakPolarHBondContact CG-OD2 3.3Å; R612-D615 PolarHBondContact N-OD2 2.9Å; R612-D615 IonicContact NE-OD1 3.7Å; R612-D615 PolarHBondContact NE-OD1 2.89Å; R612-D615 WeakPolarHBondContact O-CA 3.31Å; R612-D615 WeakPolarHBondContact O-CB 3.48Å; R612-D615 PolarHBondContact O-N 3.01Å; Y613-D615 VanDerWaalsContact C-N 3.26Å; Y613-D615 PolarHBondContact O-N 3.3Å; D615-H617 VanDerWaalsContact C-N 3.28Å; D615-H617 PolarHBondContact O-N 3.02Å; D615-D618 PolarHBondContact O-N 3.24Å; D615-F619 WeakPolarHBondContact O-CB 3.33Å; D615-F619 PolarHBondContact O-N 3.48Å; D615-F683 HydrophobicContact CB-CE2 4.15Å; D615-F683 WeakPolarHBondContact O-CE2 3.28Å; D615-Y689 HydrophobicContact CB-CD1 3.78Å; D615-Y689 HydrophobicContact CB-CE1 4.39Å; D615-Y689 HydrophobicContact CB-CG 4.4Å; D615-K691 VanDerWaalsContact OD1-CE 3.23Å; D615-K691 WeakPolarHBondContact OD1-CE 3.45Å; D615-K691 IonicContact OD1-NZ 2.61Å; D615-K691 PolarHBondContact OD1-NZ 3.34Å
616F85.5Confident79.3Confident1 Ų149.5 Ų49.50%0.00423%0.225CC..Hα-helixtrans-61.6-37.6171.8-79.3-89.2000112I565 Y592 I594 R611 R612 Y613 H620 L636 L657 Y660 L661 F683I565-F616 HydrophobicContact CD1-CZ 4.08Å; Y592-F616 HydrophobicContact CD2-CE2 4.38Å; I594-F616 HydrophobicContact CD1-CE1 4.28Å; I594-F616 HydrophobicContact CD1-CE2 4.14Å; I594-F616 HydrophobicContact CD1-CZ 3.52Å; I594-F616 HydrophobicContact CG1-CZ 4.21Å; R611-F616 HydrophobicContact CB-CD2 3.97Å; R611-F616 HydrophobicContact CB-CE2 3.58Å; R611-F616 HydrophobicContact CB-CZ 4.36Å; R611-F616 HydrophobicContact CG-CE2 4.5Å; R612-F616 PolarHBondContact O-N 3.27Å; Y613-F616 WeakPolarHBondContact O-CB 3.36Å; Y613-F616 PolarHBondContact O-N 3.07Å; F616-H620 WeakPolarHBondContact O-CB 3.31Å; F616-H620 PolarHBondContact O-N 2.57Å; F616-L636 HydrophobicContact CB-CD1 4.12Å; F616-L657 HydrophobicContact CB-CD2 3.95Å; F616-L657 HydrophobicContact CD1-CD2 3.93Å; F616-L657 HydrophobicContact CD2-CD1 4.16Å; F616-L657 HydrophobicContact CD2-CD2 4.29Å; F616-L657 HydrophobicContact CE1-CB 4.48Å; F616-L657 HydrophobicContact CE1-CD2 4.46Å; F616-L657 HydrophobicContact CE2-CD1 4.24Å; F616-L657 HydrophobicContact CG-CD2 3.82Å; F616-Y660 HydrophobicContact CD1-CD1 4.26Å; F616-Y660 HydrophobicContact CD1-CE1 4.35Å; F616-L661 HydrophobicContact CE1-CD1 4.2Å; F616-F683 HydrophobicContact CD1-CE1 4.03Å; F616-F683 AromaticContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD2-CZ 4.18Å; F616-F683 AromaticContact CE1-CE1 3.88Å; F616-F683 HydrophobicContact CE1-CE1 3.88Å; F616-F683 HydrophobicContact CE1-CZ 4.05Å; F616-F683 HydrophobicContact CE2-CZ 4.37Å; F616-F683 AromaticContact CG-CZ 3.92Å; F616-F683 HydrophobicContact CG-CZ 3.92Å; F616-F683 HydrophobicContact CZ-CE1 4.28Å; F616-F683 HydrophobicContact CZ-CZ 4.31Å
617H80.8Confident79Confident61 Ų6145.3 Ų45.328%0.28220%0.203SC..Hα-helixtrans-68.6-46.7176.1-176.263.3000112.5Y613 S614 D615 F619 H620 M621 L636Y613-H617 HydrophobicContact CE1-CB 4.41Å; Y613-H617 PolarHBondContact O-N 3.08Å; S614-H617 PolarHBondContact O-N 3.04Å; D615-H617 VanDerWaalsContact C-N 3.28Å; D615-H617 PolarHBondContact O-N 3.02Å; H617-F619 VanDerWaalsContact C-N 3.28Å; H617-F619 PolarHBondContact O-N 3.02Å; H617-H620 PolarHBondContact O-N 3Å; H617-M621 WeakPolarHBondContact O-CG 3.47Å; H617-M621 PolarHBondContact O-N 3.24Å; H617-L636 VanDerWaalsContact CA-CD2 3.48Å; H617-L636 HydrophobicContact CB-CD2 3.81Å
618D75.2Confident77.9Confident25 Ų2550.2 Ų50.213%0.13423%0.229CC..Hα-helixtrans-62.7-38.3176.6-66.5-18.6000110.9S614 D615 R622 Y689 K691S614-D618 WeakPolarHBondContact O-CB 3.41Å; S614-D618 PolarHBondContact O-N 3.38Å; D615-D618 PolarHBondContact O-N 3.24Å; D618-R622 WeakPolarHBondContact O-CB 3.46Å; D618-R622 PolarHBondContact O-N 3.5Å; D618-R622 VanDerWaalsContact O-N 3.14Å; D618-Y689 HydrophobicContact CB-CE1 4Å; D618-K691 VanDerWaalsContact OD2-CD 3.24Å; D618-K691 WeakPolarHBondContact OD2-CD 3.07Å; D618-K691 WeakPolarHBondContact OD2-CE 3.5Å
619F83.9Confident77Confident4 Ų449.4 Ų49.42%0.01824%0.235CC..Hα-helixtrans-66.3-45.3173.6177.9-113.8000112.2D615 H617 R622 I623 Y660 L664 Y679 V680 F683 Y689D615-F619 WeakPolarHBondContact O-CB 3.33Å; D615-F619 PolarHBondContact O-N 3.48Å; H617-F619 VanDerWaalsContact C-N 3.28Å; H617-F619 PolarHBondContact O-N 3.02Å; F619-R622 PolarHBondContact O-N 2.85Å; F619-I623 HydrophobicContact CD1-CD1 4.43Å; F619-I623 HydrophobicContact CD2-CG2 4.19Å; F619-I623 HydrophobicContact CE1-CD1 3.95Å; F619-I623 HydrophobicContact CE1-CG2 4.41Å; F619-I623 HydrophobicContact CE2-CG2 3.67Å; F619-I623 HydrophobicContact CZ-CD1 4.24Å; F619-I623 HydrophobicContact CZ-CG2 3.79Å; F619-I623 WeakPolarHBondContact O-CG1 3.5Å; F619-I623 PolarHBondContact O-N 3.33Å; F619-Y660 HydrophobicContact CD1-CE1 4.49Å; F619-L664 HydrophobicContact CE1-CD1 3.71Å; F619-Y679 VanDerWaalsContact CE2-O 3.3Å; F619-Y679 WeakPolarHBondContact CE2-O 3.18Å; F619-V680 HydrophobicContact CZ-CB 4.49Å; F619-V680 HydrophobicContact CZ-CG2 3.93Å; F619-F683 HydrophobicContact CB-CD2 3.56Å; F619-F683 HydrophobicContact CB-CE2 3.6Å; F619-F683 HydrophobicContact CB-CG 4.24Å; F619-F683 HydrophobicContact CB-CZ 4.32Å; F619-F683 HydrophobicContact CD1-CB 4.48Å; F619-F683 HydrophobicContact CD1-CD1 4.07Å; F619-F683 HydrophobicContact CD1-CD2 4.12Å; F619-F683 HydrophobicContact CD1-CE1 4.32Å; F619-F683 HydrophobicContact CD1-CE2 4.37Å; F619-F683 AromaticContact CD1-CG 3.96Å; F619-F683 HydrophobicContact CD1-CG 3.96Å; F619-F683 HydrophobicContact CD1-CZ 4.46Å; F619-F683 HydrophobicContact CD2-CB 3.66Å; F619-F683 AromaticContact CD2-CD2 3.78Å; F619-F683 HydrophobicContact CD2-CD2 3.78Å; F619-F683 AromaticContact CD2-CG 3.78Å; F619-F683 HydrophobicContact CD2-CG 3.78Å; F619-F683 HydrophobicContact CE1-CB 4.43Å; F619-F683 HydrophobicContact CE1-CD1 4.24Å; F619-F683 HydrophobicContact CE1-CG 4.26Å; F619-F683 HydrophobicContact CE2-CB 3.6Å; F619-F683 HydrophobicContact CE2-CG 4.1Å; F619-F683 HydrophobicContact CG-CB 4.12Å; F619-F683 HydrophobicContact CG-CD1 4.28Å; F619-F683 AromaticContact CG-CD2 3.54Å; F619-F683 HydrophobicContact CG-CD2 3.54Å; F619-F683 AromaticContact CG-CE2 3.96Å; F619-F683 HydrophobicContact CG-CE2 3.96Å; F619-F683 AromaticContact CG-CG 3.71Å; F619-F683 HydrophobicContact CG-CG 3.71Å; F619-F683 HydrophobicContact CG-CZ 4.49Å; F619-F683 HydrophobicContact CZ-CB 4.02Å; F619-F683 HydrophobicContact CZ-CG 4.34Å; F619-Y689 WeakPolarHBondContact CA-OH 3.2Å
620H83.3Confident76.1Confident24 Ų2449.7 Ų49.711%0.11124%0.237CC..Hα-helixtrans-59.3-49.2177.6-179.265.6000112.1F616 H617 R622 I623 T624 L634 L636 Y660F616-H620 WeakPolarHBondContact O-CB 3.31Å; F616-H620 PolarHBondContact O-N 2.57Å; H617-H620 PolarHBondContact O-N 3Å; H620-R622 VanDerWaalsContact C-N 3.32Å; H620-R622 PolarHBondContact O-N 3.29Å; H620-I623 VanDerWaalsContact O-CG1 3.24Å; H620-I623 WeakPolarHBondContact O-CG1 3.24Å; H620-I623 PolarHBondContact O-N 3.46Å; H620-T624 VanDerWaalsContact CE1-CG2 3.43Å; H620-T624 WeakPolarHBondContact CE1-CG2 3.28Å; H620-T624 PolarHBondContact O-N 2.81Å; H620-T624 PolarHBondContact O-OG1 3.27Å; H620-L634 PolarHBondContact CE1-O 3.17Å; H620-L636 HydrophobicContact CB-CB 4.29Å; H620-L636 HydrophobicContact CB-CD1 4.25Å; H620-L636 HydrophobicContact CB-CD2 3.94Å; H620-L636 HydrophobicContact CB-CG 4.39Å; H620-Y660 WeakPolarHBondContact CA-OH 3.17Å; H620-Y660 WeakPolarHBondContact CB-OH 3.39Å; H620-Y660 AromaticContact ND1-CE2 3.41Å; H620-Y660 WeakPolarHBondContact ND1-CE2 3.21Å; H620-Y660 AromaticContact ND1-CZ 3.61Å; H620-Y660 PolarHBondContact ND1-OH 3.3Å
621M74.6Confident75.1Confident77 Ų7747.2 Ų47.238%0.37924%0.238SC..Hα-helixtrans-56.9-47.9175.7-70-61.5-53.700110.7H617 I623 T624 E625H617-M621 WeakPolarHBondContact O-CG 3.47Å; H617-M621 PolarHBondContact O-N 3.24Å; M621-I623 VanDerWaalsContact C-N 3.32Å; M621-I623 PolarHBondContact O-N 2.77Å; M621-T624 PolarHBondContact O-N 3.38Å; M621-T624 PolarHBondContact O-OG1 2.77Å; M621-E625 WeakPolarHBondContact CE-OE1 3.23Å; M621-E625 WeakPolarHBondContact O-CB 3.17Å; M621-E625 VanDerWaalsContact O-CD 3.26Å; M621-E625 WeakPolarHBondContact O-CG 3.38Å; M621-E625 PolarHBondContact O-N 2.76Å
622R76.4Confident73.9Confident61 Ų6151.3 Ų51.323%0.2327%0.266CS..Hα-helixtrans-58.7-41179.4-174.1-180-67.4171.51.1112.7D618 F619 H620 Q626 Y679 Y689 S690D618-R622 WeakPolarHBondContact O-CB 3.46Å; D618-R622 PolarHBondContact O-N 3.5Å; D618-R622 VanDerWaalsContact O-N 3.14Å; F619-R622 PolarHBondContact O-N 2.85Å; H620-R622 VanDerWaalsContact C-N 3.32Å; H620-R622 PolarHBondContact O-N 3.29Å; R622-Q626 WeakPolarHBondContact O-CG 3.32Å; R622-Q626 PolarHBondContact O-N 3.48Å; R622-Y679 HydrophobicContact CG-CE1 4.48Å; R622-Y689 PolarHBondContact NH1-OH 2.9Å; R622-S690 PolarHBondContact NH2-O 2.81Å
623I76Confident73.3Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-81.2-32.9-178.965.6175.6000112.9F619 H620 M621 E625 Q626 F627 L634 Y660 L664 L676F619-I623 HydrophobicContact CD1-CD1 4.43Å; F619-I623 HydrophobicContact CD2-CG2 4.19Å; F619-I623 HydrophobicContact CE1-CD1 3.95Å; F619-I623 HydrophobicContact CE1-CG2 4.41Å; F619-I623 HydrophobicContact CE2-CG2 3.67Å; F619-I623 HydrophobicContact CZ-CD1 4.24Å; F619-I623 HydrophobicContact CZ-CG2 3.79Å; F619-I623 WeakPolarHBondContact O-CG1 3.5Å; F619-I623 PolarHBondContact O-N 3.33Å; H620-I623 VanDerWaalsContact O-CG1 3.24Å; H620-I623 WeakPolarHBondContact O-CG1 3.24Å; H620-I623 PolarHBondContact O-N 3.46Å; M621-I623 VanDerWaalsContact C-N 3.32Å; M621-I623 PolarHBondContact O-N 2.77Å; I623-E625 VanDerWaalsContact C-N 3.34Å; I623-Q626 PolarHBondContact O-N 2.78Å; I623-F627 HydrophobicContact CB-CD2 4.4Å; I623-F627 WeakPolarHBondContact O-CB 3.31Å; I623-F627 VanDerWaalsContact O-CD2 3.27Å; I623-F627 WeakPolarHBondContact O-CD2 3.37Å; I623-F627 PolarHBondContact O-N 2.79Å; I623-L634 HydrophobicContact CD1-CD1 3.67Å; I623-L634 HydrophobicContact CG1-CD1 4.41Å; I623-Y660 WeakPolarHBondContact CD1-OH 3.28Å; I623-L664 HydrophobicContact CD1-CD1 4.42Å; I623-L664 HydrophobicContact CD1-CD2 3.49Å; I623-L664 VanDerWaalsContact CD1-CD2 3.49Å; I623-L676 HydrophobicContact CB-CD1 4.02Å; I623-L676 HydrophobicContact CD1-CD1 4.43Å; I623-L676 HydrophobicContact CG2-CD1 3.87Å
624T73.9Confident72.8Confident23 Ų2351 Ų5114%0.14127%0.272CS..Hα-helixtrans-76.3-25.2175.654.20000112.3H620 M621H620-T624 VanDerWaalsContact CE1-CG2 3.43Å; H620-T624 WeakPolarHBondContact CE1-CG2 3.28Å; H620-T624 PolarHBondContact O-N 2.81Å; H620-T624 PolarHBondContact O-OG1 3.27Å; M621-T624 PolarHBondContact O-N 3.38Å; M621-T624 PolarHBondContact O-OG1 2.77Å
625E64.5Low72.8Confident90 Ų9057.5 Ų57.542%0.42130%0.295SS..Hα-helixtrans-69.8-36.4169.6-76.1164-16800112.6M621 I623M621-E625 WeakPolarHBondContact CE-OE1 3.23Å; M621-E625 WeakPolarHBondContact O-CB 3.17Å; M621-E625 VanDerWaalsContact O-CD 3.26Å; M621-E625 WeakPolarHBondContact O-CG 3.38Å; M621-E625 PolarHBondContact O-N 2.76Å; I623-E625 VanDerWaalsContact C-N 3.34Å
626Q64.4Low72.6Confident116 Ų11658.1 Ų58.154%0.54230%0.298SS..Hα-helixtrans-88.2-24.4-179.2-65.7-63.6-50.800113.1R622 I623R622-Q626 WeakPolarHBondContact O-CG 3.32Å; R622-Q626 PolarHBondContact O-N 3.48Å; I623-Q626 PolarHBondContact O-N 2.78Å
627F74.9Confident72.2Confident31 Ų3159 Ų5914%0.13630%0.304CS..  trans-131.683.4-176.8-52.7-77.5000109.9I623 S629 L630 A675 L676 Y679I623-F627 HydrophobicContact CB-CD2 4.4Å; I623-F627 WeakPolarHBondContact O-CB 3.31Å; I623-F627 VanDerWaalsContact O-CD2 3.27Å; I623-F627 WeakPolarHBondContact O-CD2 3.37Å; I623-F627 PolarHBondContact O-N 2.79Å; F627-S629 PolarHBondContact O-N 3.42Å; F627-S629 VanDerWaalsContact O-N 3.16Å; F627-L630 HydrophobicContact CB-CB 4.29Å; F627-L630 HydrophobicContact CB-CD1 3.53Å; F627-L630 HydrophobicContact CB-CG 3.7Å; F627-L630 HydrophobicContact CD2-CD1 4.13Å; F627-L630 HydrophobicContact CG-CD1 4Å; F627-L630 WeakPolarHBondContact O-CB 3.27Å; F627-L630 PolarHBondContact O-N 2.78Å; F627-A675 HydrophobicContact CE1-CB 3.94Å; F627-A675 HydrophobicContact CZ-CB 3.81Å; F627-L676 HydrophobicContact CD2-CD1 3.98Å; F627-L676 HydrophobicContact CE2-CB 4.16Å; F627-L676 HydrophobicContact CE2-CD1 3.89Å; F627-L676 HydrophobicContact CZ-CB 4.23Å; F627-Y679 AromaticContact CE2-CD2 3.97Å; F627-Y679 HydrophobicContact CE2-CD2 3.97Å; F627-Y679 HydrophobicContact CE2-CE2 4.12Å; F627-Y679 HydrophobicContact CZ-CD2 4.26Å; F627-Y679 HydrophobicContact CZ-CE2 4.17Å
628E61.6Low71.5Confident162 Ų16258.9 Ų58.976%0.75732%0.32SS*.G310 helixtrans-57-32-175.5-70.9-177.7168.300113.4L630 S631E628-L630 PolarHBondContact O-N 3.28Å; E628-S631 WeakPolarHBondContact O-CB 3.38Å; E628-S631 PolarHBondContact O-N 3.48Å; E628-S631 VanDerWaalsContact O-N 3.17Å; E628-S631 PolarHBondContact O-OG 3.35Å
629S63.1Low70.7Confident77 Ų7764.9 Ų64.954%0.53834%0.344SS..G310 helixtrans-62.2-24.8175.657.70000113.5F627 S632F627-S629 PolarHBondContact O-N 3.42Å; F627-S629 VanDerWaalsContact O-N 3.16Å; S629-S632 PolarHBondContact O-OG 3.2Å
630L65.1Low69.3Low9 Ų968.8 Ų68.85%0.04736%0.361CS..G310 helixtrans-82.5-16.5179.4-58.2-177000112.9F627 E628 S632 I633 L634 M669 L676F627-L630 HydrophobicContact CB-CB 4.29Å; F627-L630 HydrophobicContact CB-CD1 3.53Å; F627-L630 HydrophobicContact CB-CG 3.7Å; F627-L630 HydrophobicContact CD2-CD1 4.13Å; F627-L630 HydrophobicContact CG-CD1 4Å; F627-L630 WeakPolarHBondContact O-CB 3.27Å; F627-L630 PolarHBondContact O-N 2.78Å; E628-L630 PolarHBondContact O-N 3.28Å; L630-S632 VanDerWaalsContact C-N 3.28Å; L630-S632 PolarHBondContact O-N 2.81Å; L630-I633 PolarHBondContact O-N 3.38Å; L630-L634 HydrophobicContact CB-CD1 3.85Å; L630-L634 HydrophobicContact CB-CG 4.4Å; L630-L634 HydrophobicContact CD1-CD1 4.14Å; L630-L634 HydrophobicContact CG-CD1 4.48Å; L630-L634 WeakPolarHBondContact O-CB 3.41Å; L630-L634 PolarHBondContact O-N 3.26Å; L630-M669 HydrophobicContact CD2-CE 3.89Å; L630-L676 HydrophobicContact CD1-CD1 4.06Å; L630-L676 HydrophobicContact CD1-CD2 3.85Å
631S62.8Low67.2Low73 Ų7372.6 Ų72.651%0.5139%0.387SS..THydrogen-bonded Turntrans-63.8-31.1-178.167.50000113.5E628E628-S631 WeakPolarHBondContact O-CB 3.38Å; E628-S631 PolarHBondContact O-N 3.48Å; E628-S631 VanDerWaalsContact O-N 3.17Å; E628-S631 PolarHBondContact O-OG 3.35Å
632S61.5Low65.2Low88 Ų8876.4 Ų76.462%0.61540%0.402SS*.THydrogen-bonded Turntrans-82.7-2317862.50000113S629 L630S629-S632 PolarHBondContact O-OG 3.2Å; L630-S632 VanDerWaalsContact C-N 3.28Å; L630-S632 PolarHBondContact O-N 2.81Å
633I69.1Low63.9Low97 Ų9778.6 Ų78.650%0.49742%0.418SS..THydrogen-bonded Turntrans-98.3-45.7-172.2-59.8172.8000111.2L630 L663L630-I633 PolarHBondContact O-N 3.38Å; I633-L663 HydrophobicContact CG2-CD2 3.87Å
634L73.3Confident62.8Low3 Ų381.6 Ų81.62%0.01643%0.434CS..  trans-85.8116.4-179.6-72.3171.6000110.6H620 I623 L630 Y660 L663 L664 M669H620-L634 PolarHBondContact CE1-O 3.17Å; I623-L634 HydrophobicContact CD1-CD1 3.67Å; I623-L634 HydrophobicContact CG1-CD1 4.41Å; L630-L634 HydrophobicContact CB-CD1 3.85Å; L630-L634 HydrophobicContact CB-CG 4.4Å; L630-L634 HydrophobicContact CD1-CD1 4.14Å; L630-L634 HydrophobicContact CG-CD1 4.48Å; L630-L634 WeakPolarHBondContact O-CB 3.41Å; L630-L634 PolarHBondContact O-N 3.26Å; L634-Y660 HydrophobicContact CB-CE2 4.17Å; L634-Y660 HydrophobicContact CD2-CD2 4.26Å; L634-Y660 HydrophobicContact CD2-CE2 3.98Å; L634-L663 HydrophobicContact CD2-CB 4.3Å; L634-L663 HydrophobicContact CD2-CD2 3.47Å; L634-L663 VanDerWaalsContact CD2-CD2 3.47Å; L634-L663 HydrophobicContact CD2-CG 4.43Å; L634-L663 HydrophobicContact CG-CD2 4.25Å; L634-L664 HydrophobicContact CD1-CD2 3.6Å; L634-L664 HydrophobicContact CD1-CG 4.5Å; L634-L664 HydrophobicContact CD2-CD2 3.81Å; L634-L664 HydrophobicContact CD2-CG 3.86Å; L634-L664 HydrophobicContact CG-CD2 4.4Å; L634-M669 HydrophobicContact CD1-CE 4.26Å; L634-M669 HydrophobicContact CD2-CE 4.18Å; L634-M669 HydrophobicContact CG-CE 4.3Å
635K75.6Confident62.1Low173 Ų17383 Ų8375%0.75244%0.439SS*.  trans-113.1108.7173.5-66.6-175.3179.7179.70110.3
636L79.2Confident62.2Low25 Ų2581.3 Ų81.313%0.13143%0.433CS..PPolyproline II helixtrans-76136.2171.2-169.478.8000110Y613 F616 H617 H620 G638 L657 Y660Y613-L636 HydrophobicContact CE2-CD2 4.47Å; F616-L636 HydrophobicContact CB-CD1 4.12Å; H617-L636 VanDerWaalsContact CA-CD2 3.48Å; H617-L636 HydrophobicContact CB-CD2 3.81Å; H620-L636 HydrophobicContact CB-CB 4.29Å; H620-L636 HydrophobicContact CB-CD1 4.25Å; H620-L636 HydrophobicContact CB-CD2 3.94Å; H620-L636 HydrophobicContact CB-CG 4.39Å; L636-G638 PolarHBondContact O-N 3.23Å; L636-L657 HydrophobicContact CD1-CD2 3.92Å; L636-Y660 HydrophobicContact CB-CE2 4.39Å; L636-Y660 HydrophobicContact CD1-CD1 4.11Å; L636-Y660 HydrophobicContact CD1-CD2 4.15Å; L636-Y660 HydrophobicContact CD1-CE1 4.02Å; L636-Y660 HydrophobicContact CD1-CE2 4.07Å; L636-Y660 HydrophobicContact CD1-CG 4.18Å
637P77.5Confident62.2Low20 Ų2082.2 Ų82.213%0.1343%0.431CS..PPolyproline II helixtrans-57.8139.517520.2-31.5000111.6Y613 D656 L657Y613-P637 HydrophobicContact CE2-CG 4.36Å; Y613-P637 VanDerWaalsContact CE2-O 3.23Å; Y613-P637 WeakPolarHBondContact CE2-O 3.41Å; Y613-P637 VanDerWaalsContact CZ-O 3.29Å; Y613-P637 PolarHBondContact OH-O 3.36Å; P637-D656 HydrophobicContact CB-CB 3.82Å; P637-D656 HydrophobicContact CG-CB 3.83Å; P637-L657 HydrophobicContact CG-CD2 3.67Å; P637-L657 HydrophobicContact CG-CG 3.98Å
638G65.9Low61.9Low59 Ų5986.4 Ų86.461%0.60846%0.455SS*.PPolyproline II helixtrans-65.3155.6-172.900000115.9Y613 L636 K640 R653Y613-G638 VanDerWaalsContact OH-C 3.28Å; L636-G638 PolarHBondContact O-N 3.23Å; G638-K640 PolarHBondContact O-N 2.96Å; G638-R653 PolarHBondContact O-NH2 3.01Å
639K59.3Low62.3Low150 Ų15080.5 Ų80.565%0.65243%0.427SS*.  trans-86.3110.4180-169.5178.9-179.2-1770110.8Y613Y613-K639 HydrophobicContact CE1-CB 3.93Å; Y613-K639 HydrophobicContact CE1-CD 4.44Å; Y613-K639 HydrophobicContact CE1-CG 3.92Å; Y613-K639 PolarHBondContact OH-N 2.97Å
640K54.6Low62.8Low86 Ų8677.3 Ų77.337%0.37440%0.404SS..  trans-86.5123.4171-162.9-179.1-176.8-176.30110G638 F642 F649G638-K640 PolarHBondContact O-N 2.96Å; K640-F642 WeakPolarHBondContact CE-O 3.35Å; K640-F642 WeakPolarHBondContact CG-O 3.34Å; K640-F649 HydrophobicContact CB-CE1 3.78Å; K640-F649 HydrophobicContact CB-CE2 4.12Å; K640-F649 HydrophobicContact CB-CZ 3.32Å; K640-F649 HydrophobicContact CD-CD1 4.21Å; K640-F649 HydrophobicContact CD-CD2 4.08Å; K640-F649 HydrophobicContact CD-CE1 3.8Å; K640-F649 HydrophobicContact CD-CE2 3.73Å; K640-F649 HydrophobicContact CD-CG 4.3Å; K640-F649 HydrophobicContact CD-CZ 3.55Å; K640-F649 HydrophobicContact CG-CE1 4.43Å; K640-F649 HydrophobicContact CG-CZ 4.08Å
641T37.6Very low63.2Low105 Ų10580.4 Ų80.464%0.64442%0.418SS*.  trans-89.3-15-174.146.10000114.1
642F33.7Very low63.9Low157 Ų15783.5 Ų83.569%0.68942%0.423SS*.SBendtrans-136.6143.8178.6-67.1-84.8000111.7K640 N644K640-F642 WeakPolarHBondContact CE-O 3.35Å; K640-F642 WeakPolarHBondContact CG-O 3.34Å; F642-N644 VanDerWaalsContact C-N 3.28Å; F642-N644 PolarHBondContact O-N 3.35Å
643N48.8Very low64.8Low106 Ų10680 Ų8057%0.56740%0.396SS*.SBendtrans52.243.5-172.5-158.127.2000113.4M645N643-M645 VanDerWaalsContact C-N 3.26Å; N643-M645 PolarHBondContact O-N 3.19Å
644N53.4Low65.4Low64 Ų6476.2 Ų76.234%0.34238%0.376SS..THydrogen-bonded Turntrans-80.5-3.5-177.165-20.4000114F642 F649F642-N644 VanDerWaalsContact C-N 3.28Å; F642-N644 PolarHBondContact O-N 3.35Å; N644-F649 HydrophobicContact CB-CE1 4.32Å
645M57.5Low65.8Low52 Ų5283.7 Ų83.726%0.25641%0.408SS..THydrogen-bonded Turntrans-104.95.7177.6-59.2-54.7-60.500112.9V581 T588 A590 N643 L650V581-M645 HydrophobicContact CB-CE 3.95Å; V581-M645 HydrophobicContact CG1-CE 3.39Å; V581-M645 HydrophobicContact CG2-CE 3.39Å; T588-M645 HydrophobicContact CG2-CE 3.9Å; T588-M645 HydrophobicContact CG2-CG 4.4Å; T588-M645 HydrophobicContact CG2-SD 4.36Å; A590-M645 HydrophobicContact CB-CE 4.33Å; N643-M645 VanDerWaalsContact C-N 3.26Å; N643-M645 PolarHBondContact O-N 3.19Å; M645-L650 HydrophobicContact CE-CD1 4.29Å
646D67.7Low66.1Low54 Ų5478.5 Ų78.529%0.28939%0.389SS..  trans-59.9135.3175.4177.185.9000111.3D648 F649 L650D646-D648 PolarHBondContact OD2-N 2.72Å; D646-F649 HydrophobicContact CB-CB 3.84Å; D646-F649 WeakPolarHBondContact O-CB 3.49Å; D646-F649 PolarHBondContact O-N 3.48Å; D646-F649 WeakPolarHBondContact OD2-CB 3.36Å; D646-F649 PolarHBondContact OD2-N 3.05Å; D646-L650 WeakPolarHBondContact O-CG 3.34Å; D646-L650 PolarHBondContact O-N 2.89Å
647R64.4Low66.5Low135 Ų13577.3 Ų77.351%0.50938%0.382SS..Hα-helixtrans-64.5-47.2-171.4-179.5-179.4133.7176.5-1.3112.4F649 L650 E651R647-F649 PolarHBondContact O-N 3.46Å; R647-L650 PolarHBondContact O-N 3.4Å; R647-E651 PolarHBondContact O-N 3.37Å
648D67.5Low66.9Low119 Ų11978.6 Ų78.664%0.63639%0.388SS*.Hα-helixtrans-65.2-35.2179.7-65.1-23.8000110.5D646 K652D646-D648 PolarHBondContact OD2-N 2.72Å; D648-K652 VanDerWaalsContact O-CB 3.3Å; D648-K652 WeakPolarHBondContact O-CB 3.38Å; D648-K652 PolarHBondContact O-N 2.82Å
649F69.9Low67.8Low38 Ų3878.5 Ų78.517%0.16738%0.382CS..Hα-helixtrans-67.9-42.3173.8-178.5-116.3000113.6K640 N644 D646 R647 K652 R653K640-F649 HydrophobicContact CB-CE1 3.78Å; K640-F649 HydrophobicContact CB-CE2 4.12Å; K640-F649 HydrophobicContact CB-CZ 3.32Å; K640-F649 HydrophobicContact CD-CD1 4.21Å; K640-F649 HydrophobicContact CD-CD2 4.08Å; K640-F649 HydrophobicContact CD-CE1 3.8Å; K640-F649 HydrophobicContact CD-CE2 3.73Å; K640-F649 HydrophobicContact CD-CG 4.3Å; K640-F649 HydrophobicContact CD-CZ 3.55Å; K640-F649 HydrophobicContact CG-CE1 4.43Å; K640-F649 HydrophobicContact CG-CZ 4.08Å; N644-F649 HydrophobicContact CB-CE1 4.32Å; D646-F649 HydrophobicContact CB-CB 3.84Å; D646-F649 WeakPolarHBondContact O-CB 3.49Å; D646-F649 PolarHBondContact O-N 3.48Å; D646-F649 WeakPolarHBondContact OD2-CB 3.36Å; D646-F649 PolarHBondContact OD2-N 3.05Å; R647-F649 PolarHBondContact O-N 3.46Å; F649-K652 PolarHBondContact O-N 3.25Å; F649-R653 VanDerWaalsContact CE1-NH2 3.28Å; F649-R653 WeakPolarHBondContact O-CB 3.44Å; F649-R653 PolarHBondContact O-N 3.02Å
650L74.2Confident69.1Low10 Ų1071.9 Ų71.95%0.05235%0.353CS..Hα-helixtrans-67.3-38.5177.1-72.6177000111.6A590 M645 D646 R647 K654A590-L650 HydrophobicContact CB-CD1 4.32Å; A590-L650 HydrophobicContact CB-CD2 3.66Å; M645-L650 HydrophobicContact CE-CD1 4.29Å; D646-L650 WeakPolarHBondContact O-CG 3.34Å; D646-L650 PolarHBondContact O-N 2.89Å; R647-L650 PolarHBondContact O-N 3.4Å; L650-K654 VanDerWaalsContact O-CB 3.24Å; L650-K654 WeakPolarHBondContact O-CB 3.48Å; L650-K654 PolarHBondContact O-N 3.45Å
651E74.3Confident70.6Confident75 Ų7568 Ų6835%0.3534%0.336SS..Hα-helixtrans-61.1-51.3171.6-90-61.9-178.500111.9V578 R647 R653 K654 K655V578-E651 HydrophobicContact CB-CG 4.27Å; V578-E651 WeakPolarHBondContact CB-OE1 3.48Å; V578-E651 HydrophobicContact CG1-CB 4.43Å; V578-E651 HydrophobicContact CG1-CG 3.57Å; V578-E651 WeakPolarHBondContact CG1-OE1 3.24Å; V578-E651 WeakPolarHBondContact CG1-OE2 3.34Å; V578-E651 HydrophobicContact CG2-CG 4.05Å; V578-E651 WeakPolarHBondContact CG2-OE1 3.49Å; R647-E651 PolarHBondContact O-N 3.37Å; E651-R653 VanDerWaalsContact C-N 3.33Å; E651-R653 PolarHBondContact O-N 3.15Å; E651-K654 WeakPolarHBondContact O-CB 3.3Å; E651-K654 PolarHBondContact O-N 3.14Å; E651-K655 PolarHBondContact O-N 2.95Å
652K77.6Confident73Confident138 Ų13866 Ų6660%0.632%0.32SS*.Hα-helixtrans-58.3-47.7177.7-177.2174.5179.6176.80111D648 F649 K654 K655 D656D648-K652 VanDerWaalsContact O-CB 3.3Å; D648-K652 WeakPolarHBondContact O-CB 3.38Å; D648-K652 PolarHBondContact O-N 2.82Å; F649-K652 PolarHBondContact O-N 3.25Å; K652-K654 VanDerWaalsContact C-N 3.34Å; K652-K654 PolarHBondContact O-N 3.28Å; K652-K655 WeakPolarHBondContact O-CB 3.46Å; K652-K655 PolarHBondContact O-N 3.44Å; K652-D656 PolarHBondContact O-N 3.29Å
653R80.3Confident75.3Confident14 Ų1462 Ų625%0.05331%0.305CS..Hα-helixtrans-63.7-38.5178.7179.4179-80.4164.8-14.5112.2Y592 Y613 G638 F649 E651 K655 D656 L657Y592-R653 WeakPolarHBondContact OH-CD 3.41Å; Y613-R653 HydrophobicContact CD2-CG 4.37Å; G638-R653 PolarHBondContact O-NH2 3.01Å; F649-R653 VanDerWaalsContact CE1-NH2 3.28Å; F649-R653 WeakPolarHBondContact O-CB 3.44Å; F649-R653 PolarHBondContact O-N 3.02Å; E651-R653 VanDerWaalsContact C-N 3.33Å; E651-R653 PolarHBondContact O-N 3.15Å; R653-K655 VanDerWaalsContact C-N 3.35Å; R653-D656 PolarHBondContact O-N 3.32Å; R653-L657 HydrophobicContact CG-CD1 3.92Å; R653-L657 HydrophobicContact CG-CG 4.15Å; R653-L657 WeakPolarHBondContact O-CB 3.36Å; R653-L657 VanDerWaalsContact O-CG 3.22Å; R653-L657 WeakPolarHBondContact O-CG 3.5Å; R653-L657 PolarHBondContact O-N 3.49Å
654K82.1Confident77Confident18 Ų1857.2 Ų57.28%0.07828%0.279CS..Hα-helixtrans-59.9-46.5174.4175.6-175.6169.2-169.20110.8I565 D567 V578 Y592 L650 E651 K652 D656 L657 N658I565-K654 HydrophobicContact CB-CG 4.48Å; I565-K654 HydrophobicContact CG2-CG 3.93Å; D567-K654 IonicContact OD1-NZ 3.81Å; D567-K654 PolarHBondContact OD1-NZ 3.23Å; V578-K654 HydrophobicContact CG1-CD 4.01Å; Y592-K654 HydrophobicContact CD1-CB 4.26Å; Y592-K654 HydrophobicContact CD1-CG 4.42Å; Y592-K654 HydrophobicContact CE1-CB 3.98Å; L650-K654 VanDerWaalsContact O-CB 3.24Å; L650-K654 WeakPolarHBondContact O-CB 3.48Å; L650-K654 PolarHBondContact O-N 3.45Å; E651-K654 WeakPolarHBondContact O-CB 3.3Å; E651-K654 PolarHBondContact O-N 3.14Å; K652-K654 VanDerWaalsContact C-N 3.34Å; K652-K654 PolarHBondContact O-N 3.28Å; K654-D656 VanDerWaalsContact C-N 3.34Å; K654-D656 PolarHBondContact O-N 3.01Å; K654-L657 PolarHBondContact O-N 3.46Å; K654-N658 WeakPolarHBondContact O-CB 3.2Å; K654-N658 PolarHBondContact O-N 2.86Å
655K80.9Confident78.4Confident160 Ų16055 Ų5570%0.69627%0.267SS*.Hα-helixtrans-59.8-44.6176.1-171.8178.1179.5178.60111.7E651 K652 R653 N658 A659E651-K655 PolarHBondContact O-N 2.95Å; K652-K655 WeakPolarHBondContact O-CB 3.46Å; K652-K655 PolarHBondContact O-N 3.44Å; R653-K655 VanDerWaalsContact C-N 3.35Å; K655-N658 PolarHBondContact O-N 3.44Å; K655-A659 PolarHBondContact O-N 2.91Å
656D82.2Confident79.5Confident63 Ų6354 Ų5434%0.33727%0.267SS..Hα-helixtrans-66.6-42.3179.5-63.1-19.2000112P637 K652 R653 K654 N658 A659 Y660P637-D656 HydrophobicContact CB-CB 3.82Å; P637-D656 HydrophobicContact CG-CB 3.83Å; K652-D656 PolarHBondContact O-N 3.29Å; R653-D656 PolarHBondContact O-N 3.32Å; K654-D656 VanDerWaalsContact C-N 3.34Å; K654-D656 PolarHBondContact O-N 3.01Å; D656-N658 VanDerWaalsContact C-N 3.32Å; D656-N658 PolarHBondContact O-N 3.47Å; D656-A659 PolarHBondContact O-N 3.4Å; D656-Y660 WeakPolarHBondContact O-CB 3.4Å; D656-Y660 PolarHBondContact O-N 2.85Å
657L86.8Confident79.7Confident0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-66.4-34.4175.2-71.4175000112I565 Y592 Y613 F616 L636 P637 R653 K654 Y660 L661I565-L657 HydrophobicContact CD1-CB 3.57Å; Y592-L657 HydrophobicContact CD1-CD1 4.35Å; Y592-L657 HydrophobicContact CD2-CD1 3.85Å; Y592-L657 HydrophobicContact CE1-CD1 4.17Å; Y592-L657 HydrophobicContact CE2-CD1 3.64Å; Y592-L657 HydrophobicContact CG-CD1 4.21Å; Y613-L657 HydrophobicContact CD2-CD1 4.38Å; Y613-L657 HydrophobicContact CD2-CD2 4.33Å; F616-L657 HydrophobicContact CB-CD2 3.95Å; F616-L657 HydrophobicContact CD1-CD2 3.93Å; F616-L657 HydrophobicContact CD2-CD1 4.16Å; F616-L657 HydrophobicContact CD2-CD2 4.29Å; F616-L657 HydrophobicContact CE1-CB 4.48Å; F616-L657 HydrophobicContact CE1-CD2 4.46Å; F616-L657 HydrophobicContact CE2-CD1 4.24Å; F616-L657 HydrophobicContact CG-CD2 3.82Å; L636-L657 HydrophobicContact CD1-CD2 3.92Å; P637-L657 HydrophobicContact CG-CD2 3.67Å; P637-L657 HydrophobicContact CG-CG 3.98Å; R653-L657 HydrophobicContact CG-CD1 3.92Å; R653-L657 HydrophobicContact CG-CG 4.15Å; R653-L657 WeakPolarHBondContact O-CB 3.36Å; R653-L657 VanDerWaalsContact O-CG 3.22Å; R653-L657 WeakPolarHBondContact O-CG 3.5Å; R653-L657 PolarHBondContact O-N 3.49Å; K654-L657 PolarHBondContact O-N 3.46Å; L657-Y660 WeakPolarHBondContact O-CB 3.37Å; L657-L661 WeakPolarHBondContact O-CB 3.44Å; L657-L661 PolarHBondContact O-N 3.37Å
658N86.5Confident80Confident47 Ų4755.1 Ų55.125%0.25128%0.284SS..Hα-helixtrans-68.1-42.8174.6-168.561.4000111.1Y564 I565 K654 K655 D656 Y660 L661 Q662Y564-N658 WeakPolarHBondContact CA-OD1 3.44Å; I565-N658 HydrophobicContact CB-CB 4.34Å; I565-N658 HydrophobicContact CD1-CB 4.18Å; I565-N658 HydrophobicContact CG1-CB 4.15Å; I565-N658 PolarHBondContact N-OD1 2.89Å; K654-N658 WeakPolarHBondContact O-CB 3.2Å; K654-N658 PolarHBondContact O-N 2.86Å; K655-N658 PolarHBondContact O-N 3.44Å; D656-N658 VanDerWaalsContact C-N 3.32Å; D656-N658 PolarHBondContact O-N 3.47Å; N658-Y660 VanDerWaalsContact C-N 3.34Å; N658-L661 PolarHBondContact O-N 2.91Å; N658-Q662 WeakPolarHBondContact O-CG 3.48Å; N658-Q662 PolarHBondContact O-N 3.29Å
659A84.2Confident80.2Confident58 Ų5850.6 Ų50.648%0.47926%0.259SS..Hα-helixtrans-61.8-42.3174.700000111.9K655 D656 L661 Q662 L663K655-A659 PolarHBondContact O-N 2.91Å; D656-A659 PolarHBondContact O-N 3.4Å; A659-L661 VanDerWaalsContact C-N 3.31Å; A659-L661 PolarHBondContact O-N 3.48Å; A659-Q662 PolarHBondContact O-N 2.96Å; A659-L663 PolarHBondContact O-N 3.18Å
660Y87.1Confident80.2Confident10 Ų1050.4 Ų50.44%0.03926%0.259CS..Hα-helixtrans-56.4-44.8172.8173.5-96.6000112F616 F619 H620 I623 L634 L636 D656 L657 N658 L663 L664F616-Y660 HydrophobicContact CD1-CD1 4.26Å; F616-Y660 HydrophobicContact CD1-CE1 4.35Å; F619-Y660 HydrophobicContact CD1-CE1 4.49Å; H620-Y660 WeakPolarHBondContact CA-OH 3.17Å; H620-Y660 WeakPolarHBondContact CB-OH 3.39Å; H620-Y660 AromaticContact ND1-CE2 3.41Å; H620-Y660 WeakPolarHBondContact ND1-CE2 3.21Å; H620-Y660 AromaticContact ND1-CZ 3.61Å; H620-Y660 PolarHBondContact ND1-OH 3.3Å; I623-Y660 WeakPolarHBondContact CD1-OH 3.28Å; L634-Y660 HydrophobicContact CB-CE2 4.17Å; L634-Y660 HydrophobicContact CD2-CD2 4.26Å; L634-Y660 HydrophobicContact CD2-CE2 3.98Å; L636-Y660 HydrophobicContact CB-CE2 4.39Å; L636-Y660 HydrophobicContact CD1-CD1 4.11Å; L636-Y660 HydrophobicContact CD1-CD2 4.15Å; L636-Y660 HydrophobicContact CD1-CE1 4.02Å; L636-Y660 HydrophobicContact CD1-CE2 4.07Å; L636-Y660 HydrophobicContact CD1-CG 4.18Å; D656-Y660 WeakPolarHBondContact O-CB 3.4Å; D656-Y660 PolarHBondContact O-N 2.85Å; L657-Y660 WeakPolarHBondContact O-CB 3.37Å; N658-Y660 VanDerWaalsContact C-N 3.34Å; Y660-L663 PolarHBondContact O-N 3.18Å; Y660-L664 HydrophobicContact CD1-CD1 3.78Å; Y660-L664 HydrophobicContact CE1-CD1 3.25Å; Y660-L664 HydrophobicContact CE1-CG 4.35Å; Y660-L664 HydrophobicContact CE2-CD1 4.41Å; Y660-L664 WeakPolarHBondContact O-CG 3.29Å; Y660-L664 PolarHBondContact O-N 3.34Å; Y660-L664 VanDerWaalsContact O-N 3.16Å
661L86.9Confident79.9Confident5 Ų556.8 Ų56.83%0.02629%0.286CS..Hα-helixtrans-70.7-35.2179.5-173142.1000112.9A563 I594 F616 L657 N658 A659 L664 L665 L684A563-L661 VanDerWaalsContact C-CD2 3.42Å; A563-L661 HydrophobicContact CB-CD2 3.85Å; A563-L661 WeakPolarHBondContact O-CD2 3.22Å; I594-L661 HydrophobicContact CD1-CD1 4.09Å; I594-L661 HydrophobicContact CG2-CD1 3.92Å; F616-L661 HydrophobicContact CE1-CD1 4.2Å; L657-L661 WeakPolarHBondContact O-CB 3.44Å; L657-L661 PolarHBondContact O-N 3.37Å; N658-L661 PolarHBondContact O-N 2.91Å; A659-L661 VanDerWaalsContact C-N 3.31Å; A659-L661 PolarHBondContact O-N 3.48Å; L661-L664 PolarHBondContact O-N 3.35Å; L661-L665 HydrophobicContact CD2-CD1 3.62Å; L661-L665 HydrophobicContact CG-CD1 4.2Å; L661-L665 WeakPolarHBondContact O-CG 3.4Å; L661-L665 PolarHBondContact O-N 3.19Å; L661-L684 HydrophobicContact CD1-CD2 4.02Å
662Q86.3Confident79.5Confident63 Ų6357 Ų5729%0.29430%0.301SS..Hα-helixtrans-64.7-39.1172-65.6-44.1-56.600112.1H562 A563 N658 A659 L664 L665 A666H562-Q662 PolarHBondContact CE1-OE1 3.42Å; A563-Q662 PolarHBondContact O-NE2 3.41Å; N658-Q662 WeakPolarHBondContact O-CG 3.48Å; N658-Q662 PolarHBondContact O-N 3.29Å; A659-Q662 PolarHBondContact O-N 2.96Å; Q662-L664 VanDerWaalsContact C-N 3.34Å; Q662-L665 PolarHBondContact O-N 3.44Å; Q662-A666 PolarHBondContact O-N 2.99Å
663L83.9Confident79.1Confident74 Ų7451.3 Ų51.339%0.38728%0.279SS..Hα-helixtrans-62.4-45.1177.5-152.798.7000110.7I633 L634 A659 Y660 L665 A666 M669I633-L663 HydrophobicContact CG2-CD2 3.87Å; L634-L663 HydrophobicContact CD2-CB 4.3Å; L634-L663 HydrophobicContact CD2-CD2 3.47Å; L634-L663 VanDerWaalsContact CD2-CD2 3.47Å; L634-L663 HydrophobicContact CD2-CG 4.43Å; L634-L663 HydrophobicContact CG-CD2 4.25Å; A659-L663 PolarHBondContact O-N 3.18Å; Y660-L663 PolarHBondContact O-N 3.18Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 3.16Å; L663-A666 VanDerWaalsContact O-CB 3.24Å; L663-A666 WeakPolarHBondContact O-CB 3.45Å; L663-A666 PolarHBondContact O-N 3.45Å; L663-M669 HydrophobicContact CD2-SD 3.86Å; L663-M669 HydrophobicContact CG-SD 3.98Å
664L83.1Confident78.7Confident4 Ų455.3 Ų55.32%0.02131%0.306CS..Hα-helixtrans-61.1-34.4178.1-77.8167.9000114F619 I623 L634 Y660 L661 Q662 A666 M669 L676F619-L664 HydrophobicContact CE1-CD1 3.71Å; I623-L664 HydrophobicContact CD1-CD1 4.42Å; I623-L664 HydrophobicContact CD1-CD2 3.49Å; I623-L664 VanDerWaalsContact CD1-CD2 3.49Å; L634-L664 HydrophobicContact CD1-CD2 3.6Å; L634-L664 HydrophobicContact CD1-CG 4.5Å; L634-L664 HydrophobicContact CD2-CD2 3.81Å; L634-L664 HydrophobicContact CD2-CG 3.86Å; L634-L664 HydrophobicContact CG-CD2 4.4Å; Y660-L664 HydrophobicContact CD1-CD1 3.78Å; Y660-L664 HydrophobicContact CE1-CD1 3.25Å; Y660-L664 HydrophobicContact CE1-CG 4.35Å; Y660-L664 HydrophobicContact CE2-CD1 4.41Å; Y660-L664 WeakPolarHBondContact O-CG 3.29Å; Y660-L664 PolarHBondContact O-N 3.34Å; Y660-L664 VanDerWaalsContact O-N 3.16Å; L661-L664 PolarHBondContact O-N 3.35Å; Q662-L664 VanDerWaalsContact C-N 3.34Å; L664-A666 VanDerWaalsContact C-N 3.33Å; L664-M669 HydrophobicContact CD2-CE 4.19Å; L664-L676 HydrophobicContact CD2-CD2 4.5Å
665L82.6Confident78.2Confident18 Ų1856.9 Ų56.99%0.09432%0.323CS..THydrogen-bonded Turntrans-91.44-178.9-65.9170.1000112.9L561 A563 L661 Q662 L663 V680 L684L561-L665 HydrophobicContact CD2-CD2 4.05Å; A563-L665 HydrophobicContact CB-CD1 3.73Å; L661-L665 HydrophobicContact CD2-CD1 3.62Å; L661-L665 HydrophobicContact CG-CD1 4.2Å; L661-L665 WeakPolarHBondContact O-CG 3.4Å; L661-L665 PolarHBondContact O-N 3.19Å; Q662-L665 PolarHBondContact O-N 3.44Å; L663-L665 VanDerWaalsContact C-N 3.28Å; L663-L665 PolarHBondContact O-N 3.16Å; L665-V680 HydrophobicContact CD2-CG1 3.62Å; L665-L684 HydrophobicContact CD1-CD1 4.37Å; L665-L684 HydrophobicContact CD2-CD1 4.11Å
666A81.6Confident78.1Confident31 Ų3149.2 Ų49.226%0.25629%0.289SS..  trans-61.2131.9178.300000110.1Q662 L663 L664 E668 M669 M670Q662-A666 PolarHBondContact O-N 2.99Å; L663-A666 VanDerWaalsContact O-CB 3.24Å; L663-A666 WeakPolarHBondContact O-CB 3.45Å; L663-A666 PolarHBondContact O-N 3.45Å; L664-A666 VanDerWaalsContact C-N 3.33Å; A666-E668 PolarHBondContact O-N 2.91Å; A666-E668 VanDerWaalsContact O-N 3.14Å; A666-M669 HydrophobicContact CB-CB 4.25Å; A666-M669 HydrophobicContact CB-CG 4.43Å; A666-M669 PolarHBondContact O-N 3.32Å; A666-M670 PolarHBondContact O-N 3.41Å
667P71.7Confident77.8Confident80 Ų8046.9 Ų46.952%0.51928%0.279SS..Hα-helixtrans-54.2-37.5-178.2-27.634.3000113.2M670 K671P667-M670 PolarHBondContact O-N 3.16Å; P667-K671 WeakPolarHBondContact O-CB 3.35Å; P667-K671 VanDerWaalsContact O-CG 3.23Å; P667-K671 WeakPolarHBondContact O-CG 3.42Å; P667-K671 PolarHBondContact O-N 2.81Å
668E71.4Confident77.4Confident133 Ų13353.7 Ų53.762%0.62131%0.31SS*.Hα-helixtrans-66.8-38.3177.5-54.6-49.314200112.4A666 A672A666-E668 PolarHBondContact O-N 2.91Å; A666-E668 VanDerWaalsContact O-N 3.14Å; E668-A672 VanDerWaalsContact O-CB 3.27Å; E668-A672 WeakPolarHBondContact O-CB 2.95Å; E668-A672 PolarHBondContact O-N 2.9Å
669M70.6Confident77.1Confident24 Ų2455.2 Ų55.212%0.11831%0.313CS..Hα-helixtrans-69.6-39.1175.9-84.2-157.940.700112.5L630 L634 L663 L664 A666 S673 L676L630-M669 HydrophobicContact CD2-CE 3.89Å; L634-M669 HydrophobicContact CD1-CE 4.26Å; L634-M669 HydrophobicContact CD2-CE 4.18Å; L634-M669 HydrophobicContact CG-CE 4.3Å; L663-M669 HydrophobicContact CD2-SD 3.86Å; L663-M669 HydrophobicContact CG-SD 3.98Å; L664-M669 HydrophobicContact CD2-CE 4.19Å; A666-M669 HydrophobicContact CB-CB 4.25Å; A666-M669 HydrophobicContact CB-CG 4.43Å; A666-M669 PolarHBondContact O-N 3.32Å; M669-S673 PolarHBondContact O-N 3.47Å; M669-L676 HydrophobicContact CE-CD2 4.03Å
670M70.5Confident77.2Confident33 Ų3352.6 Ų52.616%0.16329%0.291CS..Hα-helixtrans-71.7-31.1179-65.4-69.2-72.700112.1A666 P667 S673 A677 Y681A666-M670 PolarHBondContact O-N 3.41Å; P667-M670 PolarHBondContact O-N 3.16Å; M670-S673 CarbonylContact O-C 3.43Å; M670-A677 HydrophobicContact CE-CB 3.49Å; M670-A677 VanDerWaalsContact CE-CB 3.49Å; M670-Y681 HydrophobicContact CE-CE1 4.39Å
671K67.3Low77Confident144 Ų14456 Ų5663%0.62630%0.304SS*.Hα-helixtrans-74.3-40.2172.7-74.7174.3-177.5178.10112.7P667 S673P667-K671 WeakPolarHBondContact O-CB 3.35Å; P667-K671 VanDerWaalsContact O-CG 3.23Å; P667-K671 WeakPolarHBondContact O-CG 3.42Å; P667-K671 PolarHBondContact O-N 2.81Å; K671-S673 PolarHBondContact O-N 3.39Å
672A65.6Low76.7Confident79 Ų7957.9 Ų57.965%0.65332%0.315SS*.Hα-helixtrans-66.8-19.7179.100000113.2E668E668-A672 VanDerWaalsContact O-CB 3.27Å; E668-A672 WeakPolarHBondContact O-CB 2.95Å; E668-A672 PolarHBondContact O-N 2.9Å
673S70Confident76.7Confident20 Ų2055.1 Ų55.114%0.1430%0.302CS..  trans-147.783.2-179.7-660000111.8M669 M670 K671 A675 L676M669-S673 PolarHBondContact O-N 3.47Å; M670-S673 CarbonylContact O-C 3.43Å; K671-S673 PolarHBondContact O-N 3.39Å; S673-A675 PolarHBondContact O-N 3.45Å; S673-A675 VanDerWaalsContact O-N 3.17Å; S673-L676 WeakPolarHBondContact O-CB 2.95Å; S673-L676 PolarHBondContact O-N 2.86Å
674P71.5Confident76.9Confident97 Ų9751.7 Ų51.763%0.6328%0.284SS*.Hα-helixtrans-57.8-32.4-178.9-25.634.5000113.9L676 A677P674-L676 VanDerWaalsContact C-N 3.27Å; P674-L676 PolarHBondContact O-N 3.42Å; P674-A677 VanDerWaalsContact O-CB 3.28Å; P674-A677 WeakPolarHBondContact O-CB 3.24Å; P674-A677 PolarHBondContact O-N 2.87Å
675A72.3Confident76.9Confident51 Ų5155.9 Ų55.942%0.42130%0.303SS..Hα-helixtrans-67.3-23.8176.700000113.5F627 S673 A677 Y679F627-A675 HydrophobicContact CE1-CB 3.94Å; F627-A675 HydrophobicContact CZ-CB 3.81Å; S673-A675 PolarHBondContact O-N 3.45Å; S673-A675 VanDerWaalsContact O-N 3.17Å; A675-A677 PolarHBondContact O-N 3.37Å; A675-Y679 VanDerWaalsContact O-CD2 3.28Å; A675-Y679 WeakPolarHBondContact O-CD2 3.47Å
676L78.3Confident76.8Confident0 Ų060.4 Ų60.40%033%0.328CS..Hα-helixtrans-64-31.1175.2-178.263.9000111.3I623 F627 L630 L664 M669 S673 P674 H678 Y679 V680I623-L676 HydrophobicContact CB-CD1 4.02Å; I623-L676 HydrophobicContact CD1-CD1 4.43Å; I623-L676 HydrophobicContact CG2-CD1 3.87Å; F627-L676 HydrophobicContact CD2-CD1 3.98Å; F627-L676 HydrophobicContact CE2-CB 4.16Å; F627-L676 HydrophobicContact CE2-CD1 3.89Å; F627-L676 HydrophobicContact CZ-CB 4.23Å; L630-L676 HydrophobicContact CD1-CD1 4.06Å; L630-L676 HydrophobicContact CD1-CD2 3.85Å; L664-L676 HydrophobicContact CD2-CD2 4.5Å; M669-L676 HydrophobicContact CE-CD2 4.03Å; S673-L676 WeakPolarHBondContact O-CB 2.95Å; S673-L676 PolarHBondContact O-N 2.86Å; P674-L676 VanDerWaalsContact C-N 3.27Å; P674-L676 PolarHBondContact O-N 3.42Å; L676-H678 VanDerWaalsContact C-N 3.31Å; L676-H678 PolarHBondContact O-N 3.02Å; L676-Y679 PolarHBondContact O-N 3.3Å; L676-Y679 VanDerWaalsContact O-N 3.15Å; L676-V680 HydrophobicContact CD1-CG2 4.2Å; L676-V680 HydrophobicContact CG-CG2 3.97Å; L676-V680 WeakPolarHBondContact O-CG2 3.43Å; L676-V680 PolarHBondContact O-N 2.91Å
677A76.4Confident76.5Confident14 Ų1463 Ų6312%0.11633%0.333CS..Hα-helixtrans-58.9-41.8-176.100000112.3M670 P674 A675 Y679 V680 Y681M670-A677 HydrophobicContact CE-CB 3.49Å; M670-A677 VanDerWaalsContact CE-CB 3.49Å; P674-A677 VanDerWaalsContact O-CB 3.28Å; P674-A677 WeakPolarHBondContact O-CB 3.24Å; P674-A677 PolarHBondContact O-N 2.87Å; A675-A677 PolarHBondContact O-N 3.37Å; A677-Y679 VanDerWaalsContact C-N 3.35Å; A677-Y679 PolarHBondContact O-N 3.43Å; A677-V680 PolarHBondContact O-N 3.22Å; A677-Y681 HydrophobicContact CB-CD2 4.39Å; A677-Y681 HydrophobicContact CB-CE2 3.87Å; A677-Y681 WeakPolarHBondContact O-CB 3.18Å; A677-Y681 WeakPolarHBondContact O-CD2 3.48Å; A677-Y681 PolarHBondContact O-N 2.92Å
678H77.6Confident76.2Confident143 Ų14363.5 Ų63.566%0.66234%0.344SS*.Hα-helixtrans-60.6-42.3177.7-69.4-67.2000112.6L676 Y681 D682L676-H678 VanDerWaalsContact C-N 3.31Å; L676-H678 PolarHBondContact O-N 3.02Å; H678-Y681 PolarHBondContact O-N 3.4Å; H678-D682 WeakPolarHBondContact O-CB 3.41Å; H678-D682 PolarHBondContact O-N 3.08Å
679Y80.9Confident76.3Confident78 Ų7858.1 Ų58.131%0.30632%0.318SS..Hα-helixtrans-69.5-41.7179-66.5-77.5000112.1F619 R622 F627 A675 L676 A677 Y681 D682 F683F619-Y679 VanDerWaalsContact CE2-O 3.3Å; F619-Y679 WeakPolarHBondContact CE2-O 3.18Å; R622-Y679 HydrophobicContact CG-CE1 4.48Å; F627-Y679 AromaticContact CE2-CD2 3.97Å; F627-Y679 HydrophobicContact CE2-CD2 3.97Å; F627-Y679 HydrophobicContact CE2-CE2 4.12Å; F627-Y679 HydrophobicContact CZ-CD2 4.26Å; F627-Y679 HydrophobicContact CZ-CE2 4.17Å; A675-Y679 VanDerWaalsContact O-CD2 3.28Å; A675-Y679 WeakPolarHBondContact O-CD2 3.47Å; L676-Y679 PolarHBondContact O-N 3.3Å; L676-Y679 VanDerWaalsContact O-N 3.15Å; A677-Y679 VanDerWaalsContact C-N 3.35Å; A677-Y679 PolarHBondContact O-N 3.43Å; Y679-Y681 VanDerWaalsContact C-N 3.35Å; Y679-D682 PolarHBondContact O-N 2.9Å; Y679-F683 WeakPolarHBondContact O-CB 3.42Å; Y679-F683 PolarHBondContact O-N 2.81Å
680V84.8Confident75.8Confident4 Ų460.4 Ų60.42%0.02434%0.337CS..Hα-helixtrans-63.7-42.1176.4175.20000110.4F619 L665 L676 A677 F683 L684F619-V680 HydrophobicContact CZ-CB 4.49Å; F619-V680 HydrophobicContact CZ-CG2 3.93Å; L665-V680 HydrophobicContact CD2-CG1 3.62Å; L676-V680 HydrophobicContact CD1-CG2 4.2Å; L676-V680 HydrophobicContact CG-CG2 3.97Å; L676-V680 WeakPolarHBondContact O-CG2 3.43Å; L676-V680 PolarHBondContact O-N 2.91Å; A677-V680 PolarHBondContact O-N 3.22Å; V680-F683 PolarHBondContact O-N 3.38Å; V680-L684 HydrophobicContact CG1-CD1 3.83Å; V680-L684 HydrophobicContact CG1-CG 4.44Å; V680-L684 WeakPolarHBondContact O-CB 3.22Å; V680-L684 VanDerWaalsContact O-CG 3.27Å; V680-L684 WeakPolarHBondContact O-CG 3.35Å; V680-L684 PolarHBondContact O-N 3.02Å
681Y83.5Confident75.2Confident80 Ų8062.7 Ų62.731%0.31435%0.346SS..Hα-helixtrans-65.6-43.3176.7-62.7-29.9000112.5L561 M670 A677 H678 Y679 F683 L684 E685L561-Y681 HydrophobicContact CB-CE1 3.98Å; L561-Y681 HydrophobicContact CD1-CD1 4.02Å; L561-Y681 HydrophobicContact CD1-CE1 3.71Å; L561-Y681 HydrophobicContact CD2-CD1 3.9Å; L561-Y681 HydrophobicContact CD2-CE1 3.83Å; L561-Y681 HydrophobicContact CG-CD1 4.46Å; L561-Y681 HydrophobicContact CG-CE1 4.03Å; M670-Y681 HydrophobicContact CE-CE1 4.39Å; A677-Y681 HydrophobicContact CB-CD2 4.39Å; A677-Y681 HydrophobicContact CB-CE2 3.87Å; A677-Y681 WeakPolarHBondContact O-CB 3.18Å; A677-Y681 WeakPolarHBondContact O-CD2 3.48Å; A677-Y681 PolarHBondContact O-N 2.92Å; H678-Y681 PolarHBondContact O-N 3.4Å; Y679-Y681 VanDerWaalsContact C-N 3.35Å; Y681-F683 VanDerWaalsContact C-N 3.31Å; Y681-F683 PolarHBondContact O-N 3.42Å; Y681-L684 PolarHBondContact O-N 3.08Å; Y681-E685 PolarHBondContact O-N 3.09Å
682D81.9Confident74.5Confident46 Ų4657.9 Ų57.925%0.24634%0.338CS..Hα-helixtrans-60.6-40.4174.9-175.466.2000112H678 Y679 L684 K687H678-D682 WeakPolarHBondContact O-CB 3.41Å; H678-D682 PolarHBondContact O-N 3.08Å; Y679-D682 PolarHBondContact O-N 2.9Å; D682-L684 VanDerWaalsContact C-N 3.34Å; D682-L684 PolarHBondContact O-N 3.45Å; D682-K687 WeakPolarHBondContact OD1-CE 3.1Å; D682-K687 IonicContact OD1-NZ 2.74Å; D682-K687 PolarHBondContact OD1-NZ 2.94Å
683F85.9Confident73.2Confident4 Ų462.8 Ų62.82%0.01834%0.344CS..Hα-helixtrans-68.3-31.3176.4-175.8-102.5000113I594 R611 D615 F616 F619 Y679 V680 Y681 Y689I594-F683 HydrophobicContact CD1-CE1 4.11Å; R611-F683 HydrophobicContact CB-CZ 4.08Å; R611-F683 HydrophobicContact CG-CE1 4.06Å; R611-F683 HydrophobicContact CG-CE2 4.05Å; R611-F683 HydrophobicContact CG-CZ 3.61Å; R611-F683 PolarHBondContact NE-O 2.84Å; R611-F683 PolarHBondContact NH2-O 2.96Å; D615-F683 HydrophobicContact CB-CE2 4.15Å; D615-F683 WeakPolarHBondContact O-CE2 3.28Å; F616-F683 HydrophobicContact CD1-CE1 4.03Å; F616-F683 AromaticContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD2-CZ 4.18Å; F616-F683 AromaticContact CE1-CE1 3.88Å; F616-F683 HydrophobicContact CE1-CE1 3.88Å; F616-F683 HydrophobicContact CE1-CZ 4.05Å; F616-F683 HydrophobicContact CE2-CZ 4.37Å; F616-F683 AromaticContact CG-CZ 3.92Å; F616-F683 HydrophobicContact CG-CZ 3.92Å; F616-F683 HydrophobicContact CZ-CE1 4.28Å; F616-F683 HydrophobicContact CZ-CZ 4.31Å; F619-F683 HydrophobicContact CB-CD2 3.56Å; F619-F683 HydrophobicContact CB-CE2 3.6Å; F619-F683 HydrophobicContact CB-CG 4.24Å; F619-F683 HydrophobicContact CB-CZ 4.32Å; F619-F683 HydrophobicContact CD1-CB 4.48Å; F619-F683 HydrophobicContact CD1-CD1 4.07Å; F619-F683 HydrophobicContact CD1-CD2 4.12Å; F619-F683 HydrophobicContact CD1-CE1 4.32Å; F619-F683 HydrophobicContact CD1-CE2 4.37Å; F619-F683 AromaticContact CD1-CG 3.96Å; F619-F683 HydrophobicContact CD1-CG 3.96Å; F619-F683 HydrophobicContact CD1-CZ 4.46Å; F619-F683 HydrophobicContact CD2-CB 3.66Å; F619-F683 AromaticContact CD2-CD2 3.78Å; F619-F683 HydrophobicContact CD2-CD2 3.78Å; F619-F683 AromaticContact CD2-CG 3.78Å; F619-F683 HydrophobicContact CD2-CG 3.78Å; F619-F683 HydrophobicContact CE1-CB 4.43Å; F619-F683 HydrophobicContact CE1-CD1 4.24Å; F619-F683 HydrophobicContact CE1-CG 4.26Å; F619-F683 HydrophobicContact CE2-CB 3.6Å; F619-F683 HydrophobicContact CE2-CG 4.1Å; F619-F683 HydrophobicContact CG-CB 4.12Å; F619-F683 HydrophobicContact CG-CD1 4.28Å; F619-F683 AromaticContact CG-CD2 3.54Å; F619-F683 HydrophobicContact CG-CD2 3.54Å; F619-F683 AromaticContact CG-CE2 3.96Å; F619-F683 HydrophobicContact CG-CE2 3.96Å; F619-F683 AromaticContact CG-CG 3.71Å; F619-F683 HydrophobicContact CG-CG 3.71Å; F619-F683 HydrophobicContact CG-CZ 4.49Å; F619-F683 HydrophobicContact CZ-CB 4.02Å; F619-F683 HydrophobicContact CZ-CG 4.34Å; Y679-F683 WeakPolarHBondContact O-CB 3.42Å; Y679-F683 PolarHBondContact O-N 2.81Å; V680-F683 PolarHBondContact O-N 3.38Å; Y681-F683 VanDerWaalsContact C-N 3.31Å; Y681-F683 PolarHBondContact O-N 3.42Å; F683-Y689 AromaticContact CD2-CD2 3.84Å; F683-Y689 HydrophobicContact CD2-CD2 3.84Å; F683-Y689 AromaticContact CD2-CE2 3.7Å; F683-Y689 HydrophobicContact CD2-CE2 3.7Å; F683-Y689 HydrophobicContact CD2-CG 4.37Å; F683-Y689 HydrophobicContact CE2-CD2 4.47Å; F683-Y689 HydrophobicContact CE2-CE2 4.48Å
684L87.1Confident72Confident3 Ų362.7 Ų62.72%0.01635%0.346CS..Hα-helixtrans-91.2-8.4-179.1-67.6178.9000113.9L561 A563 I594 V596 W607 T609 L661 L665 V680 Y681 D682L561-L684 HydrophobicContact CD2-CD1 3.54Å; A563-L684 HydrophobicContact CB-CD1 4.1Å; A563-L684 HydrophobicContact CB-CD2 4.32Å; I594-L684 HydrophobicContact CD1-CD2 4.37Å; I594-L684 HydrophobicContact CG2-CD2 3.91Å; V596-L684 HydrophobicContact CG2-CB 4.09Å; V596-L684 HydrophobicContact CG2-CD2 4.14Å; W607-L684 PolarHBondContact NE1-O 3.45Å; T609-L684 WeakPolarHBondContact CG2-O 3.24Å; L661-L684 HydrophobicContact CD1-CD2 4.02Å; L665-L684 HydrophobicContact CD1-CD1 4.37Å; L665-L684 HydrophobicContact CD2-CD1 4.11Å; V680-L684 HydrophobicContact CG1-CD1 3.83Å; V680-L684 HydrophobicContact CG1-CG 4.44Å; V680-L684 WeakPolarHBondContact O-CB 3.22Å; V680-L684 VanDerWaalsContact O-CG 3.27Å; V680-L684 WeakPolarHBondContact O-CG 3.35Å; V680-L684 PolarHBondContact O-N 3.02Å; Y681-L684 PolarHBondContact O-N 3.08Å; D682-L684 VanDerWaalsContact C-N 3.34Å; D682-L684 PolarHBondContact O-N 3.45Å
685E82.9Confident70.5Confident92 Ų9262.8 Ų62.843%0.4334%0.342SS..SBendtrans-63.6150.4179.8-162.3172.3-161.400112.4T609 R611 Y681 K687T609-E685 PolarHBondContact OG1-O 2.62Å; R611-E685 PolarHBondContact NH2-O 2.84Å; Y681-E685 PolarHBondContact O-N 3.09Å; E685-K687 HydrophobicContact CB-CD 4.46Å; E685-K687 HydrophobicContact CB-CG 4.3Å; E685-K687 HydrophobicContact CG-CD 4.38Å; E685-K687 HydrophobicContact CG-CG 4.45Å; E685-K687 PolarHBondContact O-N 3.37Å; E685-K687 WeakPolarHBondContact OE2-CD 3.24Å; E685-K687 WeakPolarHBondContact OE2-CE 3.35Å; E685-K687 IonicContact OE2-NZ 2.56Å; E685-K687 PolarHBondContact OE2-NZ 3.42Å
686N80.3Confident68.8Low112 Ų11264.2 Ų64.260%0.59934%0.338SS*.SBendtrans-77.161.7177.3-168.611.1000111.9W607 K608W607-N686 HydrophobicContact CG-CB 4.41Å; K608-N686 PolarHBondContact O-OD1 2.79Å
687K75.6Confident66.9Low85 Ų8565.8 Ų65.837%0.3735%0.351SS..SBendtrans-141.8163.317469.2-173-178-161.10111.1R611 D682 E685 Y689R611-K687 PolarHBondContact NH1-O 3.42Å; R611-K687 PolarHBondContact NH2-O 3.13Å; D682-K687 WeakPolarHBondContact OD1-CE 3.1Å; D682-K687 IonicContact OD1-NZ 2.74Å; D682-K687 PolarHBondContact OD1-NZ 2.94Å; E685-K687 HydrophobicContact CB-CD 4.46Å; E685-K687 HydrophobicContact CB-CG 4.3Å; E685-K687 HydrophobicContact CG-CD 4.38Å; E685-K687 HydrophobicContact CG-CG 4.45Å; E685-K687 PolarHBondContact O-N 3.37Å; E685-K687 WeakPolarHBondContact OE2-CD 3.24Å; E685-K687 WeakPolarHBondContact OE2-CE 3.35Å; E685-K687 IonicContact OE2-NZ 2.56Å; E685-K687 PolarHBondContact OE2-NZ 3.42Å; K687-Y689 PolarHBondContact O-N 3.25Å
688A66.1Low65.5Low92 Ų9269.8 Ų69.876%0.7636%0.363SS*.  trans-63.1128.7170.100000109.7S690A688-S690 PolarHBondContact O-N 3.28Å
689Y72.6Confident63.8Low19 Ų1968 Ų688%0.07535%0.354CS..  trans-68.7120.1-177.7-177.7-115.3000111.1D615 D618 F619 R622 F683 K687 K691D615-Y689 HydrophobicContact CB-CD1 3.78Å; D615-Y689 HydrophobicContact CB-CE1 4.39Å; D615-Y689 HydrophobicContact CB-CG 4.4Å; D618-Y689 HydrophobicContact CB-CE1 4Å; F619-Y689 WeakPolarHBondContact CA-OH 3.2Å; R622-Y689 PolarHBondContact NH1-OH 2.9Å; F683-Y689 AromaticContact CD2-CD2 3.84Å; F683-Y689 HydrophobicContact CD2-CD2 3.84Å; F683-Y689 AromaticContact CD2-CE2 3.7Å; F683-Y689 HydrophobicContact CD2-CE2 3.7Å; F683-Y689 HydrophobicContact CD2-CG 4.37Å; F683-Y689 HydrophobicContact CE2-CD2 4.47Å; F683-Y689 HydrophobicContact CE2-CE2 4.48Å; K687-Y689 PolarHBondContact O-N 3.25Å; Y689-K691 PolarHBondContact O-N 3.41Å
690S60.7Low61.6Low73 Ų7367.9 Ų67.951%0.5136%0.357SS..  trans-79.6112.5-178.670.30000111.3R622 A688 G692R622-S690 PolarHBondContact NH2-O 2.81Å; A688-S690 PolarHBondContact O-N 3.28Å; S690-G692 PolarHBondContact O-N 2.84Å
691K57.8Low59.3Low80 Ų8071.4 Ų71.435%0.34838%0.375SS..  trans-79.5119.6174-61.4-170.4170.478.80108.3R612 D615 D618 Y689R612-K691 VanDerWaalsContact CZ-NZ 3.33Å; R612-K691 VanDerWaalsContact NH2-NZ 3.11Å; D615-K691 VanDerWaalsContact OD1-CE 3.23Å; D615-K691 WeakPolarHBondContact OD1-CE 3.45Å; D615-K691 IonicContact OD1-NZ 2.61Å; D615-K691 PolarHBondContact OD1-NZ 3.34Å; D618-K691 VanDerWaalsContact OD2-CD 3.24Å; D618-K691 WeakPolarHBondContact OD2-CD 3.07Å; D618-K691 WeakPolarHBondContact OD2-CE 3.5Å; Y689-K691 PolarHBondContact O-N 3.41Å
692G51.9Low57.2Low44 Ų4471.5 Ų71.545%0.45439%0.385SS..  trans-61.8165.9176.200000112.7S690 G694S690-G692 PolarHBondContact O-N 2.84Å; G692-G694 PolarHBondContact O-N 2.96Å
693K39.5Very low54.8Low182 Ų18272.1 Ų72.179%0.79139%0.385SS*.SBendtrans-71.561-177.3-69-178.7174.4175.80114R281R281-K693 PolarHBondContact NH2-O 3.29Å; R281-K693 VanDerWaalsContact NH2-O 3.14Å
694G43.8Very low52.5Low18 Ų1873.9 Ų73.919%0.18640%0.396CS..  trans-126.236-177.500000115.2D282 G692 R698D282-G694 WeakPolarHBondContact OD2-CA 3.43Å; G692-G694 PolarHBondContact O-N 2.96Å; G694-R698 PolarHBondContact O-NE 3.49Å; G694-R698 PolarHBondContact O-NH2 3.32Å
695D39.9Very low50Low99 Ų9976.9 Ų76.953%0.52941%0.412SS..Hα-helixtrans-74.5-23177.1-83.9-43.3000113.6R698 K699D695-R698 VanDerWaalsContact CG-NH2 3.35Å; D695-R698 IonicContact OD1-CZ 3.74Å; D695-R698 IonicContact OD1-NH1 2.66Å; D695-R698 IonicContact OD1-NH2 3.21Å; D695-R698 PolarHBondContact OD1-NH2 3.37Å; D695-K699 WeakPolarHBondContact O-CG 3.3Å; D695-K699 PolarHBondContact O-N 2.83Å
696F37.7Very low47.7Very low81 Ų8175.4 Ų75.436%0.35541%0.41SS..Hα-helixtrans-76.9-48.6-176.5-176.2-102.8000112.4M279 R698 K699 M700M279-F696 HydrophobicContact CB-CE1 4.4Å; M279-F696 WeakPolarHBondContact O-CD1 3.43Å; M279-F696 WeakPolarHBondContact O-CE1 3.44Å; F696-R698 PolarHBondContact O-N 2.9Å; F696-K699 PolarHBondContact O-N 3.36Å; F696-M700 HydrophobicContact CE1-CE 4.13Å; F696-M700 HydrophobicContact CE2-CE 4.32Å; F696-M700 HydrophobicContact CZ-CE 3.69Å; F696-M700 WeakPolarHBondContact O-CB 3.41Å; F696-M700 PolarHBondContact O-N 3.34Å
697A37.5Very low45.4Very low32 Ų3271.2 Ų71.226%0.26439%0.388SS..Hα-helixtrans-62.8-38.6177.800000113.2D282 K699 M700 D701D282-A697 HydrophobicContact CB-CB 3.68Å; A697-K699 PolarHBondContact O-N 3.02Å; A697-M700 PolarHBondContact O-N 3.27Å; A697-D701 WeakPolarHBondContact O-CB 3.42Å; A697-D701 PolarHBondContact O-N 2.73Å
698R47Very low43.5Very low99 Ų9970.3 Ų70.337%0.37438%0.382SS..Hα-helixtrans-64.4-36.6175.6-76.9-177.5-72.4147.62.2113.3G694 D695 F696 T702G694-R698 PolarHBondContact O-NE 3.49Å; G694-R698 PolarHBondContact O-NH2 3.32Å; D695-R698 VanDerWaalsContact CG-NH2 3.35Å; D695-R698 IonicContact OD1-CZ 3.74Å; D695-R698 IonicContact OD1-NH1 2.66Å; D695-R698 IonicContact OD1-NH2 3.21Å; D695-R698 PolarHBondContact OD1-NH2 3.37Å; F696-R698 PolarHBondContact O-N 2.9Å; R698-T702 PolarHBondContact O-OG1 3.3Å
699K41.7Very low42Very low106 Ų10670.2 Ų70.246%0.46137%0.369SS..Hα-helixtrans-71.1-48.8175.7-77.1179.3-177.3-179.50109.9D695 F696 A697 D701 T702 F703D695-K699 WeakPolarHBondContact O-CG 3.3Å; D695-K699 PolarHBondContact O-N 2.83Å; F696-K699 PolarHBondContact O-N 3.36Å; A697-K699 PolarHBondContact O-N 3.02Å; K699-D701 VanDerWaalsContact C-N 3.35Å; K699-D701 PolarHBondContact O-N 3.31Å; K699-T702 WeakPolarHBondContact O-CB 3.34Å; K699-T702 PolarHBondContact O-N 3.11Å; K699-T702 VanDerWaalsContact O-N 3.15Å; K699-F703 HydrophobicContact CB-CE2 4.23Å; K699-F703 WeakPolarHBondContact O-CD2 3.36Å; K699-F703 PolarHBondContact O-N 3.28Å
700M35.6Very low40.2Very low75 Ų7569.9 Ų69.937%0.36937%0.37SS..Hα-helixtrans-55.2-48.2178.6-166.762.476.900111.5F696 A697 T702 F703 V704F696-M700 HydrophobicContact CE1-CE 4.13Å; F696-M700 HydrophobicContact CE2-CE 4.32Å; F696-M700 HydrophobicContact CZ-CE 3.69Å; F696-M700 WeakPolarHBondContact O-CB 3.41Å; F696-M700 PolarHBondContact O-N 3.34Å; A697-M700 PolarHBondContact O-N 3.27Å; M700-T702 PolarHBondContact O-N 3.43Å; M700-F703 PolarHBondContact O-N 2.95Å; M700-V704 HydrophobicContact CG-CG2 4.44Å; M700-V704 WeakPolarHBondContact O-CG2 3.38Å; M700-V704 PolarHBondContact O-N 3.41Å; M700-V704 HydrophobicContact SD-CG1 4.32Å
701D36.5Very low38.9Very low77 Ų7769 Ų6941%0.41236%0.358SS..Hα-helixtrans-62.4-28.8-178.4-158.442000113.5A697 K699 N705 R708A697-D701 WeakPolarHBondContact O-CB 3.42Å; A697-D701 PolarHBondContact O-N 2.73Å; K699-D701 VanDerWaalsContact C-N 3.35Å; K699-D701 PolarHBondContact O-N 3.31Å; D701-N705 VanDerWaalsContact O-CB 3.3Å; D701-N705 WeakPolarHBondContact O-CB 3.4Å; D701-N705 PolarHBondContact O-N 3.32Å; D701-N705 PolarHBondContact O-ND2 2.65Å; D701-R708 IonicContact OD1-NH1 3.15Å
702T38Very low37.9Very low83 Ų8370 Ų7051%0.50936%0.36SS..Hα-helixtrans-75.9-27174.4-52.30000112.8R698 K699 M700 P706R698-T702 PolarHBondContact O-OG1 3.3Å; K699-T702 WeakPolarHBondContact O-CB 3.34Å; K699-T702 PolarHBondContact O-N 3.11Å; K699-T702 VanDerWaalsContact O-N 3.15Å; M700-T702 PolarHBondContact O-N 3.43Å; T702-P706 WeakPolarHBondContact O-CD 3.45Å
703F32.4Very low37.2Very low59 Ų5971.7 Ų71.726%0.25936%0.358SS..Hα-helixtrans-87.3-40176.8-70.2-75.1000112.4K699 M700 K827K699-F703 HydrophobicContact CB-CE2 4.23Å; K699-F703 WeakPolarHBondContact O-CD2 3.36Å; K699-F703 PolarHBondContact O-N 3.28Å; M700-F703 PolarHBondContact O-N 2.95Å; F703-K827 HydrophobicContact CD1-CD 4.4Å; F703-K827 HydrophobicContact CE1-CB 3.47Å; F703-K827 VanDerWaalsContact CE1-CB 3.47Å; F703-K827 HydrophobicContact CE1-CD 3.37Å; F703-K827 HydrophobicContact CE1-CG 4.08Å; F703-K827 HydrophobicContact CZ-CB 3.61Å; F703-K827 HydrophobicContact CZ-CD 3.5Å; F703-K827 VanDerWaalsContact CZ-CD 3.5Å; F703-K827 HydrophobicContact CZ-CG 4.1Å
704V36.8Very low37Very low40 Ų4063.6 Ų63.624%0.24232%0.324CS..Hα-helixtrans-76.5-37.9-179.1-76.60000111.8M700 L707 R708M700-V704 HydrophobicContact CG-CG2 4.44Å; M700-V704 WeakPolarHBondContact O-CG2 3.38Å; M700-V704 PolarHBondContact O-N 3.41Å; M700-V704 HydrophobicContact SD-CG1 4.32Å; V704-L707 CarbonylContact O-C 3.47Å; V704-L707 WeakPolarHBondContact O-CA 3.18Å; V704-L707 PolarHBondContact O-N 3.11Å; V704-R708 WeakPolarHBondContact O-CA 3.44Å; V704-R708 WeakPolarHBondContact O-CB 3.29Å; V704-R708 PolarHBondContact O-N 3.41Å
705N36.2Very low36.4Very low66 Ų6664.7 Ų64.735%0.35333%0.329SS..Hα-helixtrans-54.2-42.1-174.1-94-23.5000116.3D701 R708 N709D701-N705 VanDerWaalsContact O-CB 3.3Å; D701-N705 WeakPolarHBondContact O-CB 3.4Å; D701-N705 PolarHBondContact O-N 3.32Å; D701-N705 PolarHBondContact O-ND2 2.65Å; N705-R708 WeakPolarHBondContact O-CB 3.15Å; N705-R708 PolarHBondContact O-N 2.84Å; N705-R708 WeakPolarHBondContact OD1-CD 3.25Å; N705-N709 PolarHBondContact O-N 3.43Å
706P33.8Very low36.1Very low61 Ų6161 Ų6140%0.39631%0.309SS..Hα-helixtrans-68.6-34.5175-21.133.8000113.6T702T702-P706 WeakPolarHBondContact O-CD 3.45Å
707L31.7Very low36Very low24 Ų2459.7 Ų59.713%0.12631%0.313CS..Hα-helixtrans-77.5-29.9175.1-72.4161.8000111.8V704 S710 M711 M787 L815V704-L707 CarbonylContact O-C 3.47Å; V704-L707 WeakPolarHBondContact O-CA 3.18Å; V704-L707 PolarHBondContact O-N 3.11Å; L707-S710 PolarHBondContact O-N 3.04Å; L707-M711 VanDerWaalsContact O-CB 3.29Å; L707-M711 WeakPolarHBondContact O-CB 3.43Å; L707-M711 WeakPolarHBondContact O-CG 3.03Å; L707-M711 PolarHBondContact O-N 3.23Å; L707-M787 HydrophobicContact CD1-CE 3.71Å; L707-M787 HydrophobicContact CD2-CE 4.26Å; L707-M787 HydrophobicContact CG-CE 4.43Å; L707-L815 HydrophobicContact CD2-CD2 4.49Å
708R36.1Very low35.8Very low66 Ų6658.9 Ų58.925%0.24931%0.305CS..Hα-helixtrans-65.2-44.2-178.9-170.3-178.1-162.1154.59111D701 V704 N705 R712 P886D701-R708 IonicContact OD1-NH1 3.15Å; V704-R708 WeakPolarHBondContact O-CA 3.44Å; V704-R708 WeakPolarHBondContact O-CB 3.29Å; V704-R708 PolarHBondContact O-N 3.41Å; N705-R708 WeakPolarHBondContact O-CB 3.15Å; N705-R708 PolarHBondContact O-N 2.84Å; N705-R708 WeakPolarHBondContact OD1-CD 3.25Å; R708-R712 WeakPolarHBondContact O-CB 3.27Å; R708-R712 PolarHBondContact O-N 2.86Å; R708-P886 HydrophobicContact CB-CB 4.34Å; R708-P886 HydrophobicContact CB-CG 4.24Å; R708-P886 HydrophobicContact CG-CB 3.53Å; R708-P886 HydrophobicContact CG-CG 3.83Å
709N34.3Very low35.2Very low90 Ų9060.3 Ų60.348%0.48131%0.314SS..Hα-helixtrans-78-25.1177-70.5-3.9000112.9N705N705-N709 PolarHBondContact O-N 3.43Å
710S34.4Very low34.9Very low13 Ų1355.5 Ų55.59%0.09129%0.293CS..Hα-helixtrans-83.3-38.9178.4-171.20000113.1L707 R712 N713 V714 L815L707-S710 PolarHBondContact O-N 3.04Å; S710-R712 VanDerWaalsContact C-N 3.35Å; S710-N713 PolarHBondContact O-N 3.4Å; S710-V714 WeakPolarHBondContact O-CG2 3.48Å; S710-V714 PolarHBondContact O-N 2.96Å; S710-L815 WeakPolarHBondContact OG-CD1 2.86Å; S710-L815 VanDerWaalsContact OG-CD2 3.29Å; S710-L815 WeakPolarHBondContact OG-CD2 3.44Å
711M34Very low34.8Very low53 Ų5354.6 Ų54.626%0.26129%0.29SS..Hα-helixtrans-69.6-29.3175.5-79.5-176.1154.600113L707 N713 V714 S715 M787 M791L707-M711 VanDerWaalsContact O-CB 3.29Å; L707-M711 WeakPolarHBondContact O-CB 3.43Å; L707-M711 WeakPolarHBondContact O-CG 3.03Å; L707-M711 PolarHBondContact O-N 3.23Å; M711-N713 PolarHBondContact O-N 3.34Å; M711-V714 PolarHBondContact O-N 3.48Å; M711-S715 WeakPolarHBondContact O-CB 3.22Å; M711-S715 PolarHBondContact O-N 3.21Å; M711-M787 HydrophobicContact CE-CE 4.06Å; M711-M787 HydrophobicContact CE-SD 3.47Å; M711-M787 WeakPolarHBondContact CE-SD 3.38Å; M711-M791 HydrophobicContact CE-CG 4.44Å; M711-M791 HydrophobicContact CE-SD 4.28Å
712R37Very low34.7Very low103 Ų10353.3 Ų53.339%0.38929%0.286SS..Hα-helixtrans-57.9-35.4173.1-164.4170.4178.9174-3.9112R708 S710 N716 E888R708-R712 WeakPolarHBondContact O-CB 3.27Å; R708-R712 PolarHBondContact O-N 2.86Å; S710-R712 VanDerWaalsContact C-N 3.35Å; R712-N716 PolarHBondContact O-ND2 3.24Å; R712-E888 VanDerWaalsContact CZ-O 3.26Å; R712-E888 PolarHBondContact NE-OXT 3.14Å; R712-E888 PolarHBondContact NH2-O 3.26Å; R712-E888 PolarHBondContact NH2-OXT 3.36Å
713N38.1Very low34.6Very low78 Ų7855 Ų5542%0.41729%0.292SS..Hα-helixtrans-80.6-29.2177.7-64.8-11.2000113.3S710 M711S710-N713 PolarHBondContact O-N 3.4Å; M711-N713 PolarHBondContact O-N 3.34Å
714V33.6Very low34.8Very low12 Ų1257.5 Ų57.57%0.07332%0.316CS..Hα-helixtrans-79.7-37.9-179.4176.30000111.4S710 M711 N716 A717 V718 M791 I808 L811S710-V714 WeakPolarHBondContact O-CG2 3.48Å; S710-V714 PolarHBondContact O-N 2.96Å; M711-V714 PolarHBondContact O-N 3.48Å; V714-N716 PolarHBondContact O-N 2.99Å; V714-A717 PolarHBondContact O-N 3.48Å; V714-V718 HydrophobicContact CG1-CG2 3.67Å; V714-V718 VanDerWaalsContact O-CB 3.28Å; V714-V718 WeakPolarHBondContact O-CB 3.37Å; V714-V718 WeakPolarHBondContact O-CG2 3.16Å; V714-V718 PolarHBondContact O-N 2.97Å; V714-M791 HydrophobicContact CG1-CE 3.68Å; V714-I808 HydrophobicContact CG1-CD1 4.32Å; V714-I808 HydrophobicContact CG1-CG1 3.93Å; V714-L811 HydrophobicContact CG2-CD2 3.74Å
715S31.5Very low34.8Very low42 Ų4260.2 Ų60.229%0.29433%0.329SS..Hα-helixtrans-56.1-34.2174.6-175.70000112.5M711M711-S715 WeakPolarHBondContact O-CB 3.22Å; M711-S715 PolarHBondContact O-N 3.21Å
716N34.5Very low34.8Very low22 Ų2259.8 Ų59.812%0.11834%0.335CS..Hα-helixtrans-78.9-20.4-176.1-66.4-2.1000113.9N381 L384 M404 R712 V714N381-N716 VanDerWaalsContact CG-OD1 3.28Å; N381-N716 PolarHBondContact OD1-ND2 3.5Å; N381-N716 PolarHBondContact OD1-OD1 2.84Å; L384-N716 HydrophobicContact CD2-CB 4.41Å; M404-N716 HydrophobicContact CE-CB 3.98Å; R712-N716 PolarHBondContact O-ND2 3.24Å; V714-N716 PolarHBondContact O-N 2.99Å
717A34.7Very low34.9Very low53 Ų5365.2 Ų65.244%0.43836%0.355SS..Hα-helixtrans-100.4-17.418000000113.6V714V714-A717 PolarHBondContact O-N 3.48Å
718V33.3Very low35Very low15 Ų1567.3 Ų67.39%0.09138%0.382CS..Hα-helixtrans-93.9-18.7-164.5162.60000113.7V714 F795 L797 L804 I808V714-V718 HydrophobicContact CG1-CG2 3.67Å; V714-V718 VanDerWaalsContact O-CB 3.28Å; V714-V718 WeakPolarHBondContact O-CB 3.37Å; V714-V718 WeakPolarHBondContact O-CG2 3.16Å; V714-V718 PolarHBondContact O-N 2.97Å; V718-F795 HydrophobicContact CG1-CB 4.15Å; V718-F795 HydrophobicContact CG1-CD1 3.83Å; V718-F795 HydrophobicContact CG1-CE1 4.39Å; V718-F795 HydrophobicContact CG1-CG 3.99Å; V718-L797 HydrophobicContact CG1-CD2 4.31Å; V718-L804 HydrophobicContact CB-CD1 4.42Å; V718-L804 HydrophobicContact CB-CD2 4.02Å; V718-L804 HydrophobicContact CG1-CD2 3.73Å; V718-L804 HydrophobicContact CG1-CG 4.43Å; V718-L804 HydrophobicContact CG2-CD1 3.66Å; V718-L804 HydrophobicContact CG2-CD2 4.02Å; V718-L804 HydrophobicContact CG2-CG 3.96Å; V718-I808 HydrophobicContact CG1-CD1 4.48Å; V718-I808 HydrophobicContact CG2-CD1 3.66Å; V718-I808 HydrophobicContact CG2-CG1 4.1Å
719K34.3Very low35Very low129 Ų12968.6 Ų68.656%0.56139%0.392SS*.SBendtrans-940.4-176.7-70.8-176.4176.5177.70115.4
720S36.5Very low35.1Very low4 Ų468.1 Ų68.13%0.02839%0.392CS..  trans-129.526.5-158.457.10000118.3M388M388-S720 WeakPolarHBondContact SD-CB 3.28Å; M388-S720 PolarHBondContact SD-OG 3.46Å
721L32.8Very low35.1Very low57 Ų5775.8 Ų75.830%0.29842%0.424SS..  trans-128.1132.7-178.2-78.9165.8000114.8F401 W803F401-L721 HydrophobicContact CD2-CD2 4.35Å; F401-L721 HydrophobicContact CE2-CD2 3.37Å; F401-L721 HydrophobicContact CE2-CG 4.27Å; F401-L721 HydrophobicContact CZ-CD2 3.58Å; F401-L721 HydrophobicContact CZ-CG 4.02Å; L721-W803 HydrophobicContact CD1-CH2 4.34Å; L721-W803 HydrophobicContact CD1-CZ3 3.82Å
722P35.2Very low35.1Very low50 Ų5080.2 Ų80.233%0.32545%0.446SS..  trans-92.3157.9172.738.5-38.9000114.5Q392 S724Q392-P722 HydrophobicContact CG-CG 4.47Å; P722-S724 VanDerWaalsContact C-N 3.34Å; P722-S724 PolarHBondContact O-N 3.01Å; P722-S724 VanDerWaalsContact O-N 3.13Å
723D35.3Very low35Very low119 Ų11977.2 Ų77.264%0.63644%0.441SS*.G310 helixtrans-65.2-12.9-166.4-61.9-37000117.6L725D723-L725 VanDerWaalsContact C-N 3.35Å; D723-L725 PolarHBondContact O-N 3.3Å
724S37.2Very low35Very low110 Ų11078 Ų7877%0.76945%0.445SS*.G310 helixtrans-81-3.8-166.272.40000116.2P722P722-S724 VanDerWaalsContact C-N 3.34Å; P722-S724 PolarHBondContact O-N 3.01Å; P722-S724 VanDerWaalsContact O-N 3.13Å
725L35.6Very low35Very low97 Ų9782.7 Ų82.751%0.50847%0.47SS..G310 helixtrans-103.1-6.8178.4-88.8158.2000113.4D723 E727D723-L725 VanDerWaalsContact C-N 3.35Å; D723-L725 PolarHBondContact O-N 3.3Å; L725-E727 VanDerWaalsContact C-N 3.32Å; L725-E727 PolarHBondContact O-N 3.39Å
726A37Very low35Very low58 Ų5887.8 Ų87.848%0.47949%0.491SS..Hα-helixtrans-69.3-25.8-173.600000113.9
727E35.2Very low34.9Very low174 Ų17488.2 Ų88.281%0.81350%0.5SS*.Hα-helixtrans-78.6-25.9-168-152.8171.2-170.700113.8L725 T730L725-E727 VanDerWaalsContact C-N 3.32Å; L725-E727 PolarHBondContact O-N 3.39Å; E727-T730 PolarHBondContact O-OG1 3.33Å
728G35Very low34.9Very low68 Ų6892 Ų9270%0.70151%0.507SS*.Hα-helixtrans-80.9-24.3179.800000114.8
729M36Very low34.8Very low93 Ų9398.1 Ų98.146%0.45854%0.536SS..Hα-helixtrans-91.8-15.5-169.3-159.9166.3176.800113.8K731 W803M729-K731 PolarHBondContact O-N 2.81Å; M729-W803 HydrophobicContact CE-CZ2 4.34Å; M729-W803 HydrophobicContact SD-CZ2 4.44Å; M729-W803 PolarHBondContact SD-NE1 2.71Å
730T34.9Very low34.8Very low80 Ų8096.1 Ų96.149%0.49154%0.538SS..Hα-helixtrans-63.6-39179.749.90000113E727 M732E727-T730 PolarHBondContact O-OG1 3.33Å; T730-M732 PolarHBondContact O-N 3Å
731K36Very low34.6Very low174 Ų174102.5 Ų102.576%0.75757%0.567SS**Hα-helixtrans-72.3-21-173.7-72.6-179.3179172.70115.2M729M729-K731 PolarHBondContact O-N 2.81Å
732M32.8Very low34.6Very low146 Ų146109.1 Ų109.172%0.71959%0.588SS**Hα-helixtrans-98-26.4-175.6-161.2161.617600112.7T730 N735T730-M732 PolarHBondContact O-N 3Å; M732-N735 PolarHBondContact O-N 3.41Å
733S36.3Very low34.6Very low40 Ų40112.3 Ų112.328%0.2860%0.602SS.*Hα-helixtrans-69.2-32.4177-161.80000113.4N735 M736 G737 R806S733-N735 VanDerWaalsContact C-N 3.27Å; S733-N735 PolarHBondContact O-N 2.88Å; S733-M736 PolarHBondContact O-N 2.7Å; S733-G737 PolarHBondContact O-N 3.32Å; S733-G737 VanDerWaalsContact O-N 3.1Å; S733-R806 PolarHBondContact OG-NH1 2.77Å; S733-R806 PolarHBondContact OG-NH2 3.11Å; S733-R806 VanDerWaalsContact OG-NH2 3.1Å
734D36.4Very low34.5Very low94 Ų94108.3 Ų108.350%0.50359%0.589SS.*Hα-helixtrans-68.4-24.5177.6-75.2-7.7000113.4K738D734-K738 WeakPolarHBondContact O-CD 3.26Å; D734-K738 WeakPolarHBondContact O-CG 3.29Å
735N33.3Very low34.4Very low112 Ų112109.5 Ų109.560%0.59958%0.583SS**Hα-helixtrans-81.4-30175.8-76.6-17.8000112.4M732 S733M732-N735 PolarHBondContact O-N 3.41Å; S733-N735 VanDerWaalsContact C-N 3.27Å; S733-N735 PolarHBondContact O-N 2.88Å
736M31.9Very low34.3Very low149 Ų149110.5 Ų110.573%0.73459%0.588SS**Hα-helixtrans-81.2-33.7179.1-163.9143.4106.400112.5S733 K738 M739 S740S733-M736 PolarHBondContact O-N 2.7Å; M736-K738 PolarHBondContact O-N 2.73Å; M736-M739 PolarHBondContact O-N 3.41Å; M736-S740 PolarHBondContact O-N 2.77Å
737G33.6Very low34.2Very low30 Ų30112.7 Ų112.731%0.30959%0.591SS.*Hα-helixtrans-59.1-44.1172.800000113S733 M739 S740 E741S733-G737 PolarHBondContact O-N 3.32Å; S733-G737 VanDerWaalsContact O-N 3.1Å; G737-M739 PolarHBondContact O-N 3.48Å; G737-S740 PolarHBondContact O-N 2.81Å; G737-E741 PolarHBondContact O-N 3.49Å
738K34.4Very low34Very low133 Ų133112.1 Ų112.158%0.57859%0.586SS**Hα-helixtrans-66.2-23.1178.9-69.5173.2-175.6170.90113.9D734 M736D734-K738 WeakPolarHBondContact O-CD 3.26Å; D734-K738 WeakPolarHBondContact O-CG 3.29Å; M736-K738 PolarHBondContact O-N 2.73Å
739M31.9Very low34Very low143 Ų143117.1 Ų117.170%0.70459%0.591SS**Hα-helixtrans-84-36.1178.4-162.4178.4-72.900111.7M736 G737 E741 L743M736-M739 PolarHBondContact O-N 3.41Å; G737-M739 PolarHBondContact O-N 3.48Å; M739-E741 VanDerWaalsContact C-N 3.34Å; M739-L743 PolarHBondContact O-N 3.2Å
740S32.5Very low33.8Very low87 Ų87116.6 Ų116.661%0.60860%0.596SS**Hα-helixtrans-67-32.7173.7-174.40000112.8M736 G737 L743 G744M736-S740 PolarHBondContact O-N 2.77Å; G737-S740 PolarHBondContact O-N 2.81Å; S740-L743 PolarHBondContact O-N 2.61Å; S740-G744 PolarHBondContact O-N 3.25Å
741E33.7Very low33.7Very low138 Ų138120.5 Ų120.565%0.64561%0.607SS**Hα-helixtrans-71.3-37.7-179.8-138.1173.3-171.700112.5G737 M739 L743 G744 Q745G737-E741 PolarHBondContact O-N 3.49Å; M739-E741 VanDerWaalsContact C-N 3.34Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 3.1Å; E741-G744 PolarHBondContact O-N 3.4Å; E741-Q745 PolarHBondContact O-N 2.71Å
742R32.8Very low33.3Very low196 Ų196121 Ų12174%0.7461%0.609SS**Hα-helixtrans-65.2-35.3174-76-177.2177.8178.2-0.2112.6
743L33.9Very low33.2Very low118 Ų118124.4 Ų124.462%0.61862%0.62SS**Hα-helixtrans-75-29.2179.5-167.466000112.8M739 S740 E741M739-L743 PolarHBondContact O-N 3.2Å; S740-L743 PolarHBondContact O-N 2.61Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 3.1Å
744G33.5Very low32.7Very low35 Ų35128 Ų12836%0.36164%0.64SS.*Hα-helixtrans-72.6-26.8176.800000114.3S740 E741S740-G744 PolarHBondContact O-N 3.25Å; E741-G744 PolarHBondContact O-N 3.4Å
745Q36.1Very low32.3Very low135 Ų135129 Ų12963%0.63165%0.652SS**Hα-helixtrans-75.3-33.7178.5-78.2179-14.200113E741 I747E741-Q745 PolarHBondContact O-N 2.71Å; Q745-I747 VanDerWaalsContact C-N 3.34Å; Q745-I747 PolarHBondContact O-N 3.46Å
746D32.5Very low32.2Very low117 Ų117129.7 Ų129.763%0.62666%0.663SS**Hα-helixtrans-72.4-25.2179.3-78.6-18.3000113.3
747I35.2Very low32.1Very low105 Ų105130.4 Ų130.454%0.53867%0.668SS.*Hα-helixtrans-80.4-31.6179.6-62.9171.8000111.6Q745 Q749 S750Q745-I747 VanDerWaalsContact C-N 3.34Å; Q745-I747 PolarHBondContact O-N 3.46Å; I747-Q749 VanDerWaalsContact C-N 3.31Å; I747-Q749 PolarHBondContact O-N 3.41Å; I747-S750 PolarHBondContact O-OG 3.33Å
748K31.9Very low31.9Very low161 Ų161136 Ų13670%0.769%0.69SS**Hα-helixtrans-68.1-27.2179.3-77.3-175.3176.9-177.50113.2S750K748-S750 VanDerWaalsContact C-N 3.33Å; K748-S750 PolarHBondContact O-N 3.46Å
749Q34.5Very low31.6Very low173 Ų173135 Ų13581%0.80870%0.696SS**Hα-helixtrans-78-12.2-176.9-69.2-169.7-4.700114.5I747I747-Q749 VanDerWaalsContact C-N 3.31Å; I747-Q749 PolarHBondContact O-N 3.41Å
750S32.6Very low31.3Very low82 Ų82138.2 Ų138.257%0.57371%0.707SS**Hα-helixtrans-103.5-12.5-173.848.70000115.4I747 K748I747-S750 PolarHBondContact O-OG 3.33Å; K748-S750 VanDerWaalsContact C-N 3.33Å; K748-S750 PolarHBondContact O-N 3.46Å
751F30.8Very low31Very low162 Ų162139.6 Ų139.671%0.71171%0.712SS**Hα-helixtrans-121-5.1-168.3-77.4-79.8000117.9
752F28.8Very low30.7Very low185 Ų185140.3 Ų140.381%0.81172%0.72SS**  trans-132.7104.9175.3-75.1-81.5000112.5
753K30.4Very low30.7Very low217 Ų217136.3 Ų136.394%0.94372%0.722SS**  trans-106.578.3161.6-117-177.7-176.51780108.6
754V27Very low30.5Very low117 Ų117136 Ų13671%0.70972%0.721SS**  trans-142128.7156-174.70000106.4
755P26.9Very low30.5Very low114 Ų114138.8 Ų138.874%0.7473%0.733SS**PPolyproline II helixtrans-76.9135.5-17716.4-7.7000110.9
756P31.8Very low30.5Very low127 Ų127139.4 Ų139.483%0.82574%0.735SS**PPolyproline II helixtrans-80.6120.1165.129.9-25.2000108.8
757L30.2Very low30.8Very low163 Ų163141 Ų14185%0.85374%0.739SS**PPolyproline II helixtrans-90.4141158-85.8163.3000108.2
758I28.6Very low30.9Very low148 Ų148145.2 Ų145.276%0.75975%0.748SS**  trans94.8102.8175.8-49.1163.2000113.6K760I758-K760 PolarHBondContact O-N 2.69Å
759P27.6Very low31.6Very low111 Ų111143.6 Ų143.672%0.72174%0.738SS**  trans-72.2121.4165.587.2000108.9T761P759-T761 PolarHBondContact O-N 3.45Å
760K26.1Very low32.2Very low211 Ų211137.5 Ų137.592%0.91771%0.712SS**  trans-74.998.8160.1-75.9-174.1176.6-178.10107.5I758I758-K760 PolarHBondContact O-N 2.69Å
761T26.5Very low32.7Very low117 Ų117134.9 Ų134.972%0.71869%0.694SS**  trans-84.6146161.537.10000110P759P759-T761 PolarHBondContact O-N 3.45Å
762D27.7Very low33.3Very low153 Ų153128.5 Ų128.582%0.81867%0.671SS**SBendtrans77.8108170.3-62.8-21.5000118D764D762-D764 PolarHBondContact O-N 3.21Å
763S31.6Very low34Very low112 Ų112129.1 Ų129.178%0.78368%0.676SS**  trans-39.5116.8162.647.60000112.9P765S763-P765 WeakPolarHBondContact O-CD 3.31Å
764D29.2Very low34.8Very low112 Ų112119.8 Ų119.860%0.59964%0.637SS**  trans-72.2120.2170.1-162.2-10.2000110D762 E766D762-D764 PolarHBondContact O-N 3.21Å; D764-E766 PolarHBondContact O-N 3.04Å
765P33.6Very low35.7Very low93 Ų93118.7 Ų118.760%0.60463%0.627SS**THydrogen-bonded Turntrans-70.7-2.6-179-16.230.6000115.3S763 H767S763-P765 WeakPolarHBondContact O-CD 3.31Å; P765-H767 PolarHBondContact O-N 3.42Å
766E36.2Very low36.6Very low147 Ų147119.6 Ų119.669%0.68763%0.625SS**THydrogen-bonded Turntrans-79.2-1.6-171.1-75.8-163.315800116.4D764 R768D764-E766 PolarHBondContact O-N 3.04Å; E766-R768 PolarHBondContact O-N 3.34Å
767H40.4Very low37.4Very low150 Ų150118.6 Ų118.669%0.69461%0.613SS**  trans-86.538.1171-80-73.8000113.4P765P765-H767 PolarHBondContact O-N 3.42Å
768R37.1Very low38.5Very low194 Ų194110.9 Ų110.973%0.73257%0.573SS**  trans-86.83.9176.6-84.4-175-177.1-178.83.2114.9E766E766-R768 PolarHBondContact O-N 3.34Å
769R46.7Very low39.6Very low128 Ų128106.7 Ų106.748%0.48355%0.552SS.*SBendtrans-69.1144.2170.7-64.1-173-179164-3.8108.8D164 S771D164-R769 WeakPolarHBondContact OD1-CD 3.43Å; D164-R769 IonicContact OD1-CZ 2.66Å; D164-R769 IonicContact OD1-NE 2.97Å; D164-R769 PolarHBondContact OD1-NE 2.81Å; D164-R769 IonicContact OD1-NH1 3.32Å; D164-R769 PolarHBondContact OD1-NH1 3.01Å; D164-R769 IonicContact OD2-CZ 3.82Å; D164-R769 IonicContact OD2-NH1 2.89Å; D164-R769 PolarHBondContact OD2-NH1 3.23Å; R769-S771 PolarHBondContact O-N 2.68Å
770V45.9Very low40.9Very low44 Ų44107.9 Ų107.927%0.26755%0.552SS.*SBendtrans-71.331.3-175.1-171.20000111.1R170 M204 A772R170-V770 VanDerWaalsContact CZ-O 3.26Å; R170-V770 PolarHBondContact NH1-O 3.26Å; R170-V770 PolarHBondContact NH2-O 3.06Å; R170-V770 VanDerWaalsContact NH2-O 3.08Å; M204-V770 HydrophobicContact CE-CG1 3.96Å; V770-A772 PolarHBondContact O-N 2.99Å
771S44Very low42.7Very low27 Ų2799.3 Ų99.319%0.18952%0.516CS..  trans-74.7117.1160.348.40000107.1D163 R769 Q773D163-S771 WeakPolarHBondContact OD2-CB 3.24Å; D163-S771 PolarHBondContact OD2-OG 2.96Å; R769-S771 PolarHBondContact O-N 2.68Å; S771-Q773 PolarHBondContact O-N 2.77Å
772A42.6Very low44.5Very low29 Ų2994.3 Ų94.324%0.2449%0.485CS..  trans-53.9133.9-176.800000109.6V770 L774 K798V770-A772 PolarHBondContact O-N 2.99Å; A772-L774 VanDerWaalsContact C-N 3.28Å; A772-L774 PolarHBondContact O-N 3.14Å; A772-K798 HydrophobicContact CB-CD 4.24Å
773Q43.6Very low46.1Very low197 Ų19787.7 Ų87.792%0.92145%0.451SS*.  trans-44.295.8163.8-71.3172.3-32.800109S771S771-Q773 PolarHBondContact O-N 2.77Å
774L46.9Very low47.6Very low21 Ų2182.6 Ų82.611%0.1142%0.415CS..  trans-85134.6163.9-71.1171000104.9A772 D776 R785 L789A772-L774 VanDerWaalsContact C-N 3.28Å; A772-L774 PolarHBondContact O-N 3.14Å; L774-D776 PolarHBondContact O-N 3.1Å; L774-R785 HydrophobicContact CD1-CG 4.01Å; L774-L789 HydrophobicContact CD1-CD2 4.32Å; L774-L789 HydrophobicContact CD1-CG 4.29Å
775D46.4Very low49.5Very low94 Ų9478.1 Ų78.150%0.50339%0.389SS..  trans-48.7131.5178-171.216.8000110.6N777 V778D775-N777 PolarHBondContact O-N 2.89Å; D775-V778 WeakPolarHBondContact O-CB 3.45Å; D775-V778 PolarHBondContact O-N 3.22Å
776D45.9Very low51.1Low133 Ų13375.4 Ų75.471%0.71137%0.371SS*.THydrogen-bonded Turntrans-50.3-23.6-170.4-69.4-25.5000113.4L774 V778L774-D776 PolarHBondContact O-N 3.1Å; D776-V778 VanDerWaalsContact C-N 3.28Å; D776-V778 PolarHBondContact O-N 3.43Å
777N49.7Very low52.3Low106 Ų10670.3 Ų70.357%0.56735%0.348SS*.THydrogen-bonded Turntrans-72.5-9.1176.4-65.8-53.9000115.1D775D775-N777 PolarHBondContact O-N 2.89Å
778V51.7Low53.3Low2 Ų263.4 Ų63.41%0.01232%0.316CS..SBendtrans-97.5-23.1-179.6-177.70000111.9D775 D776 D780 N781 L784 L788D775-V778 WeakPolarHBondContact O-CB 3.45Å; D775-V778 PolarHBondContact O-N 3.22Å; D776-V778 VanDerWaalsContact C-N 3.28Å; D776-V778 PolarHBondContact O-N 3.43Å; V778-D780 PolarHBondContact O-N 3Å; V778-N781 PolarHBondContact O-N 3.47Å; V778-L784 HydrophobicContact CG1-CD2 4.07Å; V778-L784 HydrophobicContact CG1-CG 4.1Å; V778-L788 HydrophobicContact CG1-CD1 3.93Å
779D51.9Low54.5Low59 Ų5954.5 Ų54.532%0.31628%0.282SS..THydrogen-bonded Turntrans-66-25.8-176.8-77.2-26.3000113.1N781 R785D779-N781 PolarHBondContact O-N 2.71Å; D779-R785 IonicContact OD1-CZ 2.89Å; D779-R785 IonicContact OD1-NE 2.82Å; D779-R785 IonicContact OD1-NH1 3.4Å; D779-R785 PolarHBondContact OD1-NH1 2.88Å; D779-R785 IonicContact OD2-NH1 3Å
780D56.1Low55.3Low136 Ų13651.3 Ų51.373%0.72728%0.275SS*.THydrogen-bonded Turntrans-69.2-13.5174.4-68.5-24.8000113.3V778V778-D780 PolarHBondContact O-N 3Å
781N63.9Low55.9Low31 Ų3149.5 Ų49.517%0.16626%0.263CS..  trans-116.582.4-178.9-162.3-47.4000111.6V778 D779 P783 L784 R785 I816V778-N781 PolarHBondContact O-N 3.47Å; D779-N781 PolarHBondContact O-N 2.71Å; N781-P783 WeakPolarHBondContact OD1-CD 3.41Å; N781-P783 WeakPolarHBondContact OD1-CG 3.42Å; N781-L784 HydrophobicContact CB-CB 3.96Å; N781-L784 HydrophobicContact CB-CD2 4.45Å; N781-L784 WeakPolarHBondContact O-CB 3.37Å; N781-L784 PolarHBondContact O-N 3.43Å; N781-L784 VanDerWaalsContact O-N 3.08Å; N781-L784 WeakPolarHBondContact OD1-CB 3.46Å; N781-L784 PolarHBondContact OD1-N 2.93Å; N781-R785 PolarHBondContact O-N 2.98Å; N781-I816 VanDerWaalsContact ND2-CG2 3.26Å; N781-I816 WeakPolarHBondContact ND2-CG2 3.39Å
782I64.4Low56.5Low13 Ų1348.3 Ų48.37%0.06726%0.255CS..Hα-helixtrans-43.9-54.6179.9-69.2159.1000113.3T158 L784 R785 V786 N825 I828T158-I782 HydrophobicContact CG2-CD1 3.91Å; T158-I782 HydrophobicContact CG2-CG1 4.4Å; T158-I782 HydrophobicContact CG2-CG2 3.81Å; I782-L784 PolarHBondContact O-N 3.28Å; I782-R785 PolarHBondContact O-N 3.45Å; I782-V786 HydrophobicContact CG2-CG2 4.28Å; I782-V786 VanDerWaalsContact O-CG2 3.24Å; I782-V786 WeakPolarHBondContact O-CG2 3.48Å; I782-V786 PolarHBondContact O-N 3.41Å; I782-N825 WeakPolarHBondContact CD1-OD1 3.09Å; I782-I828 HydrophobicContact CG2-CD1 4.24Å; I782-I828 HydrophobicContact CG2-CG2 4.04Å
783P60.8Low57.4Low14 Ų1447.5 Ų47.59%0.09125%0.246CC..Hα-helixtrans-65.3-36.8-178.112-16.7000113.3N781 M787 I824 I828N781-P783 WeakPolarHBondContact OD1-CD 3.41Å; N781-P783 WeakPolarHBondContact OD1-CG 3.42Å; P783-M787 VanDerWaalsContact O-CB 3.31Å; P783-M787 WeakPolarHBondContact O-CB 3.45Å; P783-M787 VanDerWaalsContact O-CG 3.25Å; P783-M787 WeakPolarHBondContact O-CG 3.46Å; P783-M787 PolarHBondContact O-N 3.22Å; P783-I824 HydrophobicContact CB-CG2 4.14Å; P783-I824 HydrophobicContact CG-CB 4.4Å; P783-I824 HydrophobicContact CG-CG2 3.83Å; P783-I828 HydrophobicContact CB-CD1 3.73Å; P783-I828 HydrophobicContact CG-CD1 3.65Å
784L62.6Low57.9Low4 Ų441.6 Ų41.62%0.02122%0.223CC..Hα-helixtrans-62.8-45.1174.8178.659000110.6V778 N781 I782 M787 L788 L812 Q813 I816V778-L784 HydrophobicContact CG1-CD2 4.07Å; V778-L784 HydrophobicContact CG1-CG 4.1Å; N781-L784 HydrophobicContact CB-CB 3.96Å; N781-L784 HydrophobicContact CB-CD2 4.45Å; N781-L784 WeakPolarHBondContact O-CB 3.37Å; N781-L784 PolarHBondContact O-N 3.43Å; N781-L784 VanDerWaalsContact O-N 3.08Å; N781-L784 WeakPolarHBondContact OD1-CB 3.46Å; N781-L784 PolarHBondContact OD1-N 2.93Å; I782-L784 PolarHBondContact O-N 3.28Å; L784-M787 PolarHBondContact O-N 3.31Å; L784-L788 HydrophobicContact CD1-CD1 3.78Å; L784-L788 HydrophobicContact CD1-CG 3.96Å; L784-L788 HydrophobicContact CG-CD1 3.79Å; L784-L788 HydrophobicContact CG-CG 4.37Å; L784-L788 VanDerWaalsContact O-CB 3.27Å; L784-L788 WeakPolarHBondContact O-CB 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.47Å; L784-L812 HydrophobicContact CD1-CB 3.48Å; L784-L812 VanDerWaalsContact CD1-CB 3.48Å; L784-L812 HydrophobicContact CD1-CD1 4.32Å; L784-Q813 HydrophobicContact CD2-CB 4.03Å; L784-Q813 HydrophobicContact CD2-CG 4.1Å; L784-I816 HydrophobicContact CB-CD1 3.55Å; L784-I816 HydrophobicContact CD1-CD1 3.84Å; L784-I816 HydrophobicContact CG-CD1 4.23Å
785R69.3Low58Low19 Ų1943.8 Ų43.87%0.07223%0.232CC..Hα-helixtrans-61.6-50.4177.6174.1178.6163.4147.3-2.8112T159 D163 L774 D779 N781 I782 M787 L788 L789T159-R785 VanDerWaalsContact CG2-CZ 3.44Å; D163-R785 IonicContact OD1-CZ 2.88Å; D163-R785 IonicContact OD1-NE 3.89Å; D163-R785 IonicContact OD1-NH2 3.99Å; D163-R785 PolarHBondContact OD1-NH2 2.68Å; D163-R785 IonicContact OD2-NH2 2.91Å; D163-R785 PolarHBondContact OD2-NH2 3.35Å; L774-R785 HydrophobicContact CD1-CG 4.01Å; D779-R785 IonicContact OD1-CZ 2.89Å; D779-R785 IonicContact OD1-NE 2.82Å; D779-R785 IonicContact OD1-NH1 3.4Å; D779-R785 PolarHBondContact OD1-NH1 2.88Å; D779-R785 IonicContact OD2-NH1 3Å; N781-R785 PolarHBondContact O-N 2.98Å; I782-R785 PolarHBondContact O-N 3.45Å; R785-M787 VanDerWaalsContact C-N 3.33Å; R785-M787 PolarHBondContact O-N 2.96Å; R785-L788 PolarHBondContact O-N 3.49Å; R785-L789 HydrophobicContact CG-CD1 3.99Å; R785-L789 WeakPolarHBondContact O-CB 3.41Å; R785-L789 WeakPolarHBondContact O-CG 3.27Å; R785-L789 PolarHBondContact O-N 3.02Å
786V66.5Low58.2Low35 Ų3542 Ų4221%0.21222%0.222CC..Hα-helixtrans-59.3-45.6178.8175.70000110.5V162 I782 L789 L790V162-V786 HydrophobicContact CG1-CB 4.49Å; V162-V786 HydrophobicContact CG1-CG1 4.28Å; V162-V786 HydrophobicContact CG1-CG2 4.06Å; V162-V786 HydrophobicContact CG2-CG2 4.19Å; I782-V786 HydrophobicContact CG2-CG2 4.28Å; I782-V786 VanDerWaalsContact O-CG2 3.24Å; I782-V786 WeakPolarHBondContact O-CG2 3.48Å; I782-V786 PolarHBondContact O-N 3.41Å; V786-L789 PolarHBondContact O-N 3.35Å; V786-L790 HydrophobicContact CG1-CD1 3.94Å; V786-L790 HydrophobicContact CG1-CG 4.46Å; V786-L790 WeakPolarHBondContact O-CB 3.41Å; V786-L790 VanDerWaalsContact O-CG 3.32Å; V786-L790 WeakPolarHBondContact O-CG 3.48Å; V786-L790 PolarHBondContact O-N 3.5Å
787M61.9Low58.3Low41 Ų4135.8 Ų35.820%0.20219%0.19CC..Hα-helixtrans-66.7-40.7178.2-73-60.3-168.700112.3L707 M711 P783 L784 R785 L790 M791L707-M787 HydrophobicContact CD1-CE 3.71Å; L707-M787 HydrophobicContact CD2-CE 4.26Å; L707-M787 HydrophobicContact CG-CE 4.43Å; M711-M787 HydrophobicContact CE-CE 4.06Å; M711-M787 HydrophobicContact CE-SD 3.47Å; M711-M787 WeakPolarHBondContact CE-SD 3.38Å; P783-M787 VanDerWaalsContact O-CB 3.31Å; P783-M787 WeakPolarHBondContact O-CB 3.45Å; P783-M787 VanDerWaalsContact O-CG 3.25Å; P783-M787 WeakPolarHBondContact O-CG 3.46Å; P783-M787 PolarHBondContact O-N 3.22Å; L784-M787 PolarHBondContact O-N 3.31Å; R785-M787 VanDerWaalsContact C-N 3.33Å; R785-M787 PolarHBondContact O-N 2.96Å; M787-L790 PolarHBondContact O-N 2.9Å; M787-M791 WeakPolarHBondContact O-CB 3.38Å; M787-M791 WeakPolarHBondContact O-CG 3.47Å; M787-M791 PolarHBondContact O-N 3.5Å
788L61.3Low58.2Low4 Ų432.4 Ų32.42%0.02117%0.17CC..Hα-helixtrans-65-41.2175.8-76.2172.2000112.1V778 L784 R785 M791 D792 I808 K809 L812V778-L788 HydrophobicContact CG1-CD1 3.93Å; L784-L788 HydrophobicContact CD1-CD1 3.78Å; L784-L788 HydrophobicContact CD1-CG 3.96Å; L784-L788 HydrophobicContact CG-CD1 3.79Å; L784-L788 HydrophobicContact CG-CG 4.37Å; L784-L788 VanDerWaalsContact O-CB 3.27Å; L784-L788 WeakPolarHBondContact O-CB 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.47Å; R785-L788 PolarHBondContact O-N 3.49Å; L788-M791 PolarHBondContact O-N 3.17Å; L788-D792 WeakPolarHBondContact O-CB 3.46Å; L788-D792 VanDerWaalsContact O-CG 3.23Å; L788-D792 PolarHBondContact O-N 3.37Å; L788-I808 HydrophobicContact CD2-CG2 4.5Å; L788-K809 HydrophobicContact CD1-CG 4.11Å; L788-K809 HydrophobicContact CD2-CB 3.99Å; L788-K809 HydrophobicContact CD2-CG 4.38Å; L788-L812 HydrophobicContact CD2-CD1 3.83Å; L788-L812 HydrophobicContact CG-CD1 4.26Å
789L63.4Low57.8Low7 Ų738 Ų384%0.03720%0.196CC..Hα-helixtrans-62-52.8174.5-74.1170.6000110.2V162 D163 L774 R785 V786 M791 D792 E793V162-L789 HydrophobicContact CG1-CD1 4.08Å; D163-L789 WeakPolarHBondContact OD1-CD1 3.39Å; L774-L789 HydrophobicContact CD1-CD2 4.32Å; L774-L789 HydrophobicContact CD1-CG 4.29Å; R785-L789 HydrophobicContact CG-CD1 3.99Å; R785-L789 WeakPolarHBondContact O-CB 3.41Å; R785-L789 WeakPolarHBondContact O-CG 3.27Å; R785-L789 PolarHBondContact O-N 3.02Å; V786-L789 PolarHBondContact O-N 3.35Å; L789-M791 VanDerWaalsContact C-N 3.3Å; L789-M791 PolarHBondContact O-N 3.25Å; L789-D792 PolarHBondContact O-N 2.98Å; L789-E793 VanDerWaalsContact O-CG 3.3Å; L789-E793 WeakPolarHBondContact O-CG 3.21Å; L789-E793 PolarHBondContact O-N 3.42Å
790L61.7Low57.2Low61 Ų6143.1 Ų43.132%0.31921%0.211SC..Hα-helixtrans-60.2-40.3178.4-71.7174.2000111.9F165 V786 M787 E793 V794F165-L790 HydrophobicContact CE1-CD2 4.47Å; V786-L790 HydrophobicContact CG1-CD1 3.94Å; V786-L790 HydrophobicContact CG1-CG 4.46Å; V786-L790 WeakPolarHBondContact O-CB 3.41Å; V786-L790 VanDerWaalsContact O-CG 3.32Å; V786-L790 WeakPolarHBondContact O-CG 3.48Å; V786-L790 PolarHBondContact O-N 3.5Å; M787-L790 PolarHBondContact O-N 2.9Å; L790-E793 PolarHBondContact O-N 3.42Å; L790-V794 WeakPolarHBondContact O-CA 2.98Å; L790-V794 WeakPolarHBondContact O-CB 3.38Å; L790-V794 WeakPolarHBondContact O-CG2 3.47Å; L790-V794 PolarHBondContact O-N 2.94Å
791M58.8Low56.6Low6 Ų638.6 Ų38.63%0.0319%0.187CC..Hα-helixtrans-70.9-43.5178.4-75.9-172.273.500112.9M711 V714 M787 L788 L789 E793 V794 F795 L797 I808 L812M711-M791 HydrophobicContact CE-CG 4.44Å; M711-M791 HydrophobicContact CE-SD 4.28Å; V714-M791 HydrophobicContact CG1-CE 3.68Å; M787-M791 WeakPolarHBondContact O-CB 3.38Å; M787-M791 WeakPolarHBondContact O-CG 3.47Å; M787-M791 PolarHBondContact O-N 3.5Å; L788-M791 PolarHBondContact O-N 3.17Å; L789-M791 VanDerWaalsContact C-N 3.3Å; L789-M791 PolarHBondContact O-N 3.25Å; M791-E793 PolarHBondContact O-N 2.99Å; M791-V794 PolarHBondContact O-N 2.94Å; M791-F795 HydrophobicContact CB-CD2 4.17Å; M791-F795 HydrophobicContact CE-CD2 4.15Å; M791-F795 HydrophobicContact CE-CE2 4.05Å; M791-F795 HydrophobicContact CG-CD2 4.24Å; M791-F795 HydrophobicContact CG-CE2 4.17Å; M791-F795 WeakPolarHBondContact O-CB 3.33Å; M791-F795 PolarHBondContact O-N 3.41Å; M791-L797 HydrophobicContact CB-CD1 4.34Å; M791-I808 HydrophobicContact CE-CB 4.44Å; M791-I808 HydrophobicContact CE-CD1 3.78Å; M791-I808 HydrophobicContact CE-CG1 4.18Å; M791-I808 HydrophobicContact CE-CG2 3.41Å; M791-I808 VanDerWaalsContact CE-CG2 3.41Å; M791-I808 HydrophobicContact SD-CG2 3.7Å; M791-L812 HydrophobicContact SD-CD1 3.69Å
792D56.9Low55.8Low3 Ų342.2 Ų42.22%0.01620%0.202CC..Hα-helixtrans-55-42174.5-84.7-14.5000110L788 L789 D796 L797 K798 R805L788-D792 WeakPolarHBondContact O-CB 3.46Å; L788-D792 VanDerWaalsContact O-CG 3.23Å; L788-D792 PolarHBondContact O-N 3.37Å; L789-D792 PolarHBondContact O-N 2.98Å; D792-D796 VanDerWaalsContact O-CA 3.3Å; D792-D796 WeakPolarHBondContact O-CA 3.47Å; D792-D796 PolarHBondContact O-N 3.39Å; D792-L797 PolarHBondContact O-N 2.97Å; D792-K798 HydrophobicContact CB-CD 4.29Å; D792-K798 HydrophobicContact CB-CG 4.19Å; D792-K798 WeakPolarHBondContact OD2-CE 3.22Å; D792-K798 IonicContact OD2-NZ 3.66Å; D792-R805 VanDerWaalsContact CG-NE 3.33Å; D792-R805 WeakPolarHBondContact OD1-CD 3.35Å; D792-R805 WeakPolarHBondContact OD1-CG 3.29Å; D792-R805 IonicContact OD1-NE 3.25Å; D792-R805 PolarHBondContact OD1-NE 3.43Å; D792-R805 IonicContact OD2-CZ 2.65Å; D792-R805 VanDerWaalsContact OD2-CZ 3.32Å; D792-R805 IonicContact OD2-NE 3.68Å; D792-R805 PolarHBondContact OD2-NE 2.95Å; D792-R805 IonicContact OD2-NH2 3.74Å; D792-R805 PolarHBondContact OD2-NH2 3.45Å
793E61.1Low54.8Low11 Ų1145.7 Ų45.75%0.05122%0.215CC..Hα-helixtrans-77.5-47.1177.6-56.8-43.2134.700112.3L169 R170 R173 L789 L790 M791 F795 D796 K798L169-E793 HydrophobicContact CD2-CB 4.16Å; R170-E793 VanDerWaalsContact CB-OE2 3.28Å; R170-E793 WeakPolarHBondContact CB-OE2 3.22Å; R170-E793 VanDerWaalsContact CG-OE2 3.24Å; R170-E793 WeakPolarHBondContact CG-OE2 3.37Å; R170-E793 IonicContact CZ-OE1 3.71Å; R170-E793 IonicContact CZ-OE2 2.73Å; R170-E793 IonicContact NE-OE1 3.36Å; R170-E793 PolarHBondContact NE-OE1 3.45Å; R170-E793 IonicContact NE-OE2 3.56Å; R170-E793 PolarHBondContact NE-OE2 3.31Å; R170-E793 IonicContact NH2-OE1 3.92Å; R170-E793 PolarHBondContact NH2-OE1 3.06Å; R170-E793 IonicContact NH2-OE2 3Å; R173-E793 VanDerWaalsContact CZ-O 3.25Å; R173-E793 VanDerWaalsContact NH1-CB 3.32Å; R173-E793 PolarHBondContact NH1-O 3.37Å; L789-E793 VanDerWaalsContact O-CG 3.3Å; L789-E793 WeakPolarHBondContact O-CG 3.21Å; L789-E793 PolarHBondContact O-N 3.42Å; L790-E793 PolarHBondContact O-N 3.42Å; M791-E793 PolarHBondContact O-N 2.99Å; E793-F795 VanDerWaalsContact C-N 3.33Å; E793-F795 PolarHBondContact O-N 3.18Å; E793-D796 PolarHBondContact O-N 3.4Å; E793-K798 IonicContact OE1-NZ 3.95Å; E793-K798 PolarHBondContact OE1-NZ 2.94Å
794V55.1Low53.9Low73 Ų7345.6 Ų45.644%0.44221%0.213SC..Hα-helixtrans-65.9-34.8-173.3168.70000112.4R173 L790 M791R173-V794 VanDerWaalsContact NH1-N 3.18Å; L790-V794 WeakPolarHBondContact O-CA 2.98Å; L790-V794 WeakPolarHBondContact O-CB 3.38Å; L790-V794 WeakPolarHBondContact O-CG2 3.47Å; L790-V794 PolarHBondContact O-N 2.94Å; M791-V794 PolarHBondContact O-N 2.94Å
795F48Very low53.3Low68 Ų6847.6 Ų47.630%0.29822%0.221SC..THydrogen-bonded Turntrans-109.47.3-178.3-60.2-78.3000113.1V718 M791 E793 L797V718-F795 HydrophobicContact CG1-CB 4.15Å; V718-F795 HydrophobicContact CG1-CD1 3.83Å; V718-F795 HydrophobicContact CG1-CE1 4.39Å; V718-F795 HydrophobicContact CG1-CG 3.99Å; M791-F795 HydrophobicContact CB-CD2 4.17Å; M791-F795 HydrophobicContact CE-CD2 4.15Å; M791-F795 HydrophobicContact CE-CE2 4.05Å; M791-F795 HydrophobicContact CG-CD2 4.24Å; M791-F795 HydrophobicContact CG-CE2 4.17Å; M791-F795 WeakPolarHBondContact O-CB 3.33Å; M791-F795 PolarHBondContact O-N 3.41Å; E793-F795 VanDerWaalsContact C-N 3.33Å; E793-F795 PolarHBondContact O-N 3.18Å; F795-L797 VanDerWaalsContact C-N 3.31Å; F795-L797 HydrophobicContact CB-CD1 4.12Å; F795-L797 HydrophobicContact CB-CD2 3.8Å; F795-L797 HydrophobicContact CB-CG 3.72Å; F795-L797 PolarHBondContact O-N 3.38Å
796D51.3Low52.5Low55 Ų5551.7 Ų51.729%0.29424%0.236SC..THydrogen-bonded Turntrans50.546.4178.3-167.324.9000113.8D792 E793 K798D792-D796 VanDerWaalsContact O-CA 3.3Å; D792-D796 WeakPolarHBondContact O-CA 3.47Å; D792-D796 PolarHBondContact O-N 3.39Å; E793-D796 PolarHBondContact O-N 3.4Å; D796-K798 VanDerWaalsContact C-N 3.31Å; D796-K798 PolarHBondContact O-N 3.1Å
797L47.2Very low51.5Low4 Ų453 Ų532%0.02124%0.242CC..THydrogen-bonded Turntrans-79.8-12.3-168.4-58.9171.5000113.7V718 M791 D792 F795 N801 L804 R805 I808V718-L797 HydrophobicContact CG1-CD2 4.31Å; M791-L797 HydrophobicContact CB-CD1 4.34Å; D792-L797 PolarHBondContact O-N 2.97Å; F795-L797 VanDerWaalsContact C-N 3.31Å; F795-L797 HydrophobicContact CB-CD1 4.12Å; F795-L797 HydrophobicContact CB-CD2 3.8Å; F795-L797 HydrophobicContact CB-CG 3.72Å; F795-L797 PolarHBondContact O-N 3.38Å; L797-N801 CarbonylContact O-C 3.56Å; L797-L804 HydrophobicContact CD2-CB 4.36Å; L797-L804 HydrophobicContact CD2-CD2 3.62Å; L797-L804 HydrophobicContact CD2-CG 4.03Å; L797-R805 HydrophobicContact CB-CB 4.23Å; L797-I808 HydrophobicContact CD1-CD1 3.56Å; L797-I808 HydrophobicContact CD2-CD1 4.34Å
798K48.3Very low50.9Low34 Ų3451.3 Ų51.315%0.14823%0.234CC..THydrogen-bonded Turntrans-80.1-37.2-175.6-77.1175.8-177.5152.80113.2A772 D792 E793 D796 Q802A772-K798 HydrophobicContact CB-CD 4.24Å; D792-K798 HydrophobicContact CB-CD 4.29Å; D792-K798 HydrophobicContact CB-CG 4.19Å; D792-K798 WeakPolarHBondContact OD2-CE 3.22Å; D792-K798 IonicContact OD2-NZ 3.66Å; E793-K798 IonicContact OE1-NZ 3.95Å; E793-K798 PolarHBondContact OE1-NZ 2.94Å; D796-K798 VanDerWaalsContact C-N 3.31Å; D796-K798 PolarHBondContact O-N 3.1Å; K798-Q802 PolarHBondContact O-NE2 3.05Å
799E44.3Very low50.5Low121 Ų12153.2 Ų53.257%0.56524%0.242SC*.THydrogen-bonded Turntrans-96.3-29.4-175.5-67.3-174.7-176.500112.3K174K174-E799 VanDerWaalsContact CE-OE1 3.3Å; K174-E799 WeakPolarHBondContact CE-OE1 3.2Å; K174-E799 IonicContact NZ-OE1 2.69Å; K174-E799 PolarHBondContact NZ-OE1 2.71Å
800R38.1Very low50Low166 Ų16655.9 Ų55.963%0.62626%0.256SS*.SBendtrans-107.4-28.7-174.3-72.4178.8174.1176.70.9116.5
801N43.3Very low49.3Very low41 Ų4156.6 Ų56.622%0.21926%0.26CS..  trans-14769.7-167.8-98-41.5000115.7L797 W803 L804 R805L797-N801 CarbonylContact O-C 3.56Å; N801-W803 VanDerWaalsContact C-N 3.29Å; N801-W803 PolarHBondContact O-N 3.38Å; N801-L804 HydrophobicContact CB-CB 3.82Å; N801-L804 HydrophobicContact CB-CD2 4.13Å; N801-L804 WeakPolarHBondContact O-CB 3.45Å; N801-L804 PolarHBondContact O-N 2.87Å; N801-L804 VanDerWaalsContact O-N 3.14Å; N801-R805 PolarHBondContact O-N 3.04Å
802Q48Very low49.1Very low106 Ų10656.5 Ų56.550%0.49526%0.259SS..Hα-helixtrans-61.1-29.4179.4-69.8-69.2-24.500114.5K798 R806K798-Q802 PolarHBondContact O-NE2 3.05Å; Q802-R806 WeakPolarHBondContact O-CB 3.47Å; Q802-R806 PolarHBondContact O-N 3.18Å
803W43.8Very low49.1Very low87 Ų8758.1 Ų58.133%0.3327%0.267SS..Hα-helixtrans-67.5-44174.117489.2000112L721 M729 N801 R805 R806 N807L721-W803 HydrophobicContact CD1-CH2 4.34Å; L721-W803 HydrophobicContact CD1-CZ3 3.82Å; M729-W803 HydrophobicContact CE-CZ2 4.34Å; M729-W803 HydrophobicContact SD-CZ2 4.44Å; M729-W803 PolarHBondContact SD-NE1 2.71Å; N801-W803 VanDerWaalsContact C-N 3.29Å; N801-W803 PolarHBondContact O-N 3.38Å; W803-R805 VanDerWaalsContact C-N 3.35Å; W803-R806 PolarHBondContact O-N 3.44Å; W803-R806 VanDerWaalsContact O-N 3.12Å; W803-N807 WeakPolarHBondContact CH2-ND2 3.46Å; W803-N807 WeakPolarHBondContact CZ2-ND2 3.23Å; W803-N807 PolarHBondContact O-N 3.27Å
804L40.9Very low48.6Very low12 Ų1263.9 Ų63.96%0.06329%0.294CS..Hα-helixtrans-65.1-43.2178.8-167.156.1000110.6V718 L797 N801 R806 N807 I808V718-L804 HydrophobicContact CB-CD1 4.42Å; V718-L804 HydrophobicContact CB-CD2 4.02Å; V718-L804 HydrophobicContact CG1-CD2 3.73Å; V718-L804 HydrophobicContact CG1-CG 4.43Å; V718-L804 HydrophobicContact CG2-CD1 3.66Å; V718-L804 HydrophobicContact CG2-CD2 4.02Å; V718-L804 HydrophobicContact CG2-CG 3.96Å; L797-L804 HydrophobicContact CD2-CB 4.36Å; L797-L804 HydrophobicContact CD2-CD2 3.62Å; L797-L804 HydrophobicContact CD2-CG 4.03Å; N801-L804 HydrophobicContact CB-CB 3.82Å; N801-L804 HydrophobicContact CB-CD2 4.13Å; N801-L804 WeakPolarHBondContact O-CB 3.45Å; N801-L804 PolarHBondContact O-N 2.87Å; N801-L804 VanDerWaalsContact O-N 3.14Å; L804-R806 VanDerWaalsContact C-N 3.29Å; L804-R806 PolarHBondContact O-N 2.73Å; L804-N807 PolarHBondContact O-N 3.39Å; L804-I808 HydrophobicContact CD1-CD1 4.27Å; L804-I808 HydrophobicContact CD1-CG1 4.47Å; L804-I808 HydrophobicContact CG-CD1 3.78Å; L804-I808 HydrophobicContact CG-CG1 4.42Å; L804-I808 VanDerWaalsContact O-CB 3.26Å; L804-I808 WeakPolarHBondContact O-CB 3.28Å; L804-I808 WeakPolarHBondContact O-CD1 3.23Å; L804-I808 WeakPolarHBondContact O-CG1 3.39Å; L804-I808 PolarHBondContact O-N 2.97Å
805R50.7Low48.3Very low46 Ų4661.8 Ų61.817%0.17428%0.28CS..Hα-helixtrans-54.3-44.6170.2-172175.1-173.6-131.3-1.5111.8D792 L797 N801 W803 K809D792-R805 VanDerWaalsContact CG-NE 3.33Å; D792-R805 WeakPolarHBondContact OD1-CD 3.35Å; D792-R805 WeakPolarHBondContact OD1-CG 3.29Å; D792-R805 IonicContact OD1-NE 3.25Å; D792-R805 PolarHBondContact OD1-NE 3.43Å; D792-R805 IonicContact OD2-CZ 2.65Å; D792-R805 VanDerWaalsContact OD2-CZ 3.32Å; D792-R805 IonicContact OD2-NE 3.68Å; D792-R805 PolarHBondContact OD2-NE 2.95Å; D792-R805 IonicContact OD2-NH2 3.74Å; D792-R805 PolarHBondContact OD2-NH2 3.45Å; L797-R805 HydrophobicContact CB-CB 4.23Å; N801-R805 PolarHBondContact O-N 3.04Å; W803-R805 VanDerWaalsContact C-N 3.35Å; R805-K809 WeakPolarHBondContact O-CB 3.18Å; R805-K809 PolarHBondContact O-N 3.11Å
806R51.3Low48.6Very low105 Ų10558.7 Ų58.740%0.39627%0.266SS..Hα-helixtrans-69.7-38.2179.5-164.8170.2179.9176.9-3.9112.6S733 Q802 W803 L804 N810S733-R806 PolarHBondContact OG-NH1 2.77Å; S733-R806 PolarHBondContact OG-NH2 3.11Å; S733-R806 VanDerWaalsContact OG-NH2 3.1Å; Q802-R806 WeakPolarHBondContact O-CB 3.47Å; Q802-R806 PolarHBondContact O-N 3.18Å; W803-R806 PolarHBondContact O-N 3.44Å; W803-R806 VanDerWaalsContact O-N 3.12Å; L804-R806 VanDerWaalsContact C-N 3.29Å; L804-R806 PolarHBondContact O-N 2.73Å; R806-N810 WeakPolarHBondContact O-CB 3.44Å; R806-N810 PolarHBondContact O-N 3.32Å; R806-N810 PolarHBondContact O-ND2 2.8Å
807N46.2Very low48.6Very low61 Ų6164.8 Ų64.833%0.32629%0.285SS..Hα-helixtrans-74.4-42177.1-84.4-12.1000113.3W803 L804 K809 N810 L811W803-N807 WeakPolarHBondContact CH2-ND2 3.46Å; W803-N807 WeakPolarHBondContact CZ2-ND2 3.23Å; W803-N807 PolarHBondContact O-N 3.27Å; L804-N807 PolarHBondContact O-N 3.39Å; N807-K809 VanDerWaalsContact C-N 3.32Å; N807-N810 PolarHBondContact O-N 3.23Å; N807-L811 WeakPolarHBondContact O-CB 3.38Å; N807-L811 PolarHBondContact O-N 2.87Å
808I49.6Very low48.6Very low7 Ų767 Ų674%0.03630%0.304CS..Hα-helixtrans-59.6-46.2170.1-69.9165.5000109.5V714 V718 L788 M791 L797 L804 N810 L811 L812V714-I808 HydrophobicContact CG1-CD1 4.32Å; V714-I808 HydrophobicContact CG1-CG1 3.93Å; V718-I808 HydrophobicContact CG1-CD1 4.48Å; V718-I808 HydrophobicContact CG2-CD1 3.66Å; V718-I808 HydrophobicContact CG2-CG1 4.1Å; L788-I808 HydrophobicContact CD2-CG2 4.5Å; M791-I808 HydrophobicContact CE-CB 4.44Å; M791-I808 HydrophobicContact CE-CD1 3.78Å; M791-I808 HydrophobicContact CE-CG1 4.18Å; M791-I808 HydrophobicContact CE-CG2 3.41Å; M791-I808 VanDerWaalsContact CE-CG2 3.41Å; M791-I808 HydrophobicContact SD-CG2 3.7Å; L797-I808 HydrophobicContact CD1-CD1 3.56Å; L797-I808 HydrophobicContact CD2-CD1 4.34Å; L804-I808 HydrophobicContact CD1-CD1 4.27Å; L804-I808 HydrophobicContact CD1-CG1 4.47Å; L804-I808 HydrophobicContact CG-CD1 3.78Å; L804-I808 HydrophobicContact CG-CG1 4.42Å; L804-I808 VanDerWaalsContact O-CB 3.26Å; L804-I808 WeakPolarHBondContact O-CB 3.28Å; L804-I808 WeakPolarHBondContact O-CD1 3.23Å; L804-I808 WeakPolarHBondContact O-CG1 3.39Å; L804-I808 PolarHBondContact O-N 2.97Å; I808-N810 PolarHBondContact O-N 3.41Å; I808-L811 PolarHBondContact O-N 2.93Å; I808-L812 HydrophobicContact CG2-CD1 3.53Å; I808-L812 HydrophobicContact CG2-CG 3.99Å; I808-L812 VanDerWaalsContact O-CB 3.24Å; I808-L812 WeakPolarHBondContact O-CB 3.39Å; I808-L812 VanDerWaalsContact O-CG 3.25Å; I808-L812 WeakPolarHBondContact O-CG 3.32Å; I808-L812 PolarHBondContact O-N 3.48Å
809K53.6Low48.4Very low43 Ų4367.3 Ų67.319%0.18731%0.309CS..Hα-helixtrans-57.7-49.6175.6-179.9-179.2177.9-178.10111.3L788 R805 N807 L811 Q813L788-K809 HydrophobicContact CD1-CG 4.11Å; L788-K809 HydrophobicContact CD2-CB 3.99Å; L788-K809 HydrophobicContact CD2-CG 4.38Å; R805-K809 WeakPolarHBondContact O-CB 3.18Å; R805-K809 PolarHBondContact O-N 3.11Å; N807-K809 VanDerWaalsContact C-N 3.32Å; K809-L811 PolarHBondContact O-N 2.88Å; K809-Q813 WeakPolarHBondContact O-CB 3.24Å; K809-Q813 PolarHBondContact O-N 2.69Å
810N51.4Low48.7Very low63 Ų6368.5 Ų68.534%0.33731%0.309SS..Hα-helixtrans-63.8-39.9179-71.1-20.8000112.1R806 N807 I808 Q814R806-N810 WeakPolarHBondContact O-CB 3.44Å; R806-N810 PolarHBondContact O-N 3.32Å; R806-N810 PolarHBondContact O-ND2 2.8Å; N807-N810 PolarHBondContact O-N 3.23Å; I808-N810 PolarHBondContact O-N 3.41Å; N810-Q814 VanDerWaalsContact O-CB 3.27Å; N810-Q814 WeakPolarHBondContact O-CB 3.43Å; N810-Q814 WeakPolarHBondContact O-CG 3.26Å; N810-Q814 PolarHBondContact O-N 2.91Å
811L48.5Very low49.4Very low77 Ų7761 Ų6140%0.40328%0.283SS..Hα-helixtrans-73.1-44.2-179.3-173143.6000111.9V714 N807 I808 K809 Q813 Q814 L815V714-L811 HydrophobicContact CG2-CD2 3.74Å; N807-L811 WeakPolarHBondContact O-CB 3.38Å; N807-L811 PolarHBondContact O-N 2.87Å; I808-L811 PolarHBondContact O-N 2.93Å; K809-L811 PolarHBondContact O-N 2.88Å; L811-Q813 VanDerWaalsContact C-N 3.32Å; L811-Q814 PolarHBondContact O-N 3.49Å; L811-L815 VanDerWaalsContact O-CB 3.23Å; L811-L815 WeakPolarHBondContact O-CB 3.33Å; L811-L815 PolarHBondContact O-N 2.95Å
812L54Low49.9Very low3 Ų365.8 Ų65.82%0.01631%0.309CS..Hα-helixtrans-63.5-39.5171.8-72174000111.1L784 L788 M791 I808 L815 I816L784-L812 HydrophobicContact CD1-CB 3.48Å; L784-L812 VanDerWaalsContact CD1-CB 3.48Å; L784-L812 HydrophobicContact CD1-CD1 4.32Å; L788-L812 HydrophobicContact CD2-CD1 3.83Å; L788-L812 HydrophobicContact CG-CD1 4.26Å; M791-L812 HydrophobicContact SD-CD1 3.69Å; I808-L812 HydrophobicContact CG2-CD1 3.53Å; I808-L812 HydrophobicContact CG2-CG 3.99Å; I808-L812 VanDerWaalsContact O-CB 3.24Å; I808-L812 WeakPolarHBondContact O-CB 3.39Å; I808-L812 VanDerWaalsContact O-CG 3.25Å; I808-L812 WeakPolarHBondContact O-CG 3.32Å; I808-L812 PolarHBondContact O-N 3.48Å; L812-L815 PolarHBondContact O-N 2.76Å; L812-I816 VanDerWaalsContact O-CB 3.26Å; L812-I816 WeakPolarHBondContact O-CB 3.34Å; L812-I816 WeakPolarHBondContact O-CG1 3.44Å; L812-I816 PolarHBondContact O-N 2.89Å
813Q56.4Low50.2Low37 Ų3763.8 Ų63.817%0.17330%0.304CS..Hα-helixtrans-66.8-40.4176.5-172173.818.600111.1L784 K809 L811 R817L784-Q813 HydrophobicContact CD2-CB 4.03Å; L784-Q813 HydrophobicContact CD2-CG 4.1Å; K809-Q813 WeakPolarHBondContact O-CB 3.24Å; K809-Q813 PolarHBondContact O-N 2.69Å; L811-Q813 VanDerWaalsContact C-N 3.32Å; Q813-R817 VanDerWaalsContact NE2-NH2 3.13Å; Q813-R817 WeakPolarHBondContact O-CB 3.45Å; Q813-R817 WeakPolarHBondContact O-CD 2.86Å; Q813-R817 WeakPolarHBondContact O-CG 3.01Å; Q813-R817 PolarHBondContact O-N 2.73Å
814Q50.7Low50.9Low132 Ų13261 Ų6162%0.61730%0.295SS*.Hα-helixtrans-67.7-41.1173.3-77.7174.48.800111.9N810 L811 R817 A818N810-Q814 VanDerWaalsContact O-CB 3.27Å; N810-Q814 WeakPolarHBondContact O-CB 3.43Å; N810-Q814 WeakPolarHBondContact O-CG 3.26Å; N810-Q814 PolarHBondContact O-N 2.91Å; L811-Q814 PolarHBondContact O-N 3.49Å; Q814-R817 PolarHBondContact O-N 3.17Å; Q814-A818 WeakPolarHBondContact O-CB 3.49Å; Q814-A818 PolarHBondContact O-N 2.93Å
815L49.5Very low52.1Low30 Ų3062.1 Ų62.116%0.15730%0.301CS..Hα-helixtrans-64-52177.6-168.497.4000110.4L707 S710 L811 L812 R817 A818 T819L707-L815 HydrophobicContact CD2-CD2 4.49Å; S710-L815 WeakPolarHBondContact OG-CD1 2.86Å; S710-L815 VanDerWaalsContact OG-CD2 3.29Å; S710-L815 WeakPolarHBondContact OG-CD2 3.44Å; L811-L815 VanDerWaalsContact O-CB 3.23Å; L811-L815 WeakPolarHBondContact O-CB 3.33Å; L811-L815 PolarHBondContact O-N 2.95Å; L812-L815 PolarHBondContact O-N 2.76Å; L815-R817 VanDerWaalsContact C-N 3.3Å; L815-R817 PolarHBondContact O-N 2.76Å; L815-A818 CarbonylContact O-C 3.47Å; L815-A818 WeakPolarHBondContact O-CA 3.21Å; L815-A818 PolarHBondContact O-N 2.94Å; L815-T819 HydrophobicContact CG-CG2 4.1Å; L815-T819 WeakPolarHBondContact O-CB 3.44Å; L815-T819 WeakPolarHBondContact O-CG2 3.34Å; L815-T819 PolarHBondContact O-N 3.14Å; L815-T819 PolarHBondContact O-OG1 2.7Å
816I53.3Low52.9Low2 Ų268.4 Ų68.41%0.0133%0.325CS..Hα-helixtrans-65.5-36.4-179.7-66.6170.2000110.3N781 L784 L812 A818 G821N781-I816 VanDerWaalsContact ND2-CG2 3.26Å; N781-I816 WeakPolarHBondContact ND2-CG2 3.39Å; L784-I816 HydrophobicContact CB-CD1 3.55Å; L784-I816 HydrophobicContact CD1-CD1 3.84Å; L784-I816 HydrophobicContact CG-CD1 4.23Å; L812-I816 VanDerWaalsContact O-CB 3.26Å; L812-I816 WeakPolarHBondContact O-CB 3.34Å; L812-I816 WeakPolarHBondContact O-CG1 3.44Å; L812-I816 PolarHBondContact O-N 2.89Å; I816-A818 VanDerWaalsContact C-N 3.34Å; I816-G821 WeakPolarHBondContact O-CA 3.47Å; I816-G821 PolarHBondContact O-N 2.66Å
817R51.9Low53.5Low184 Ų18467 Ų6769%0.69432%0.322SS*.Hα-helixtrans-66.5-33.2170.9-74.5173.3176.8-171.6-1.4112.7Q813 Q814 L815Q813-R817 VanDerWaalsContact NE2-NH2 3.13Å; Q813-R817 WeakPolarHBondContact O-CB 3.45Å; Q813-R817 WeakPolarHBondContact O-CD 2.86Å; Q813-R817 WeakPolarHBondContact O-CG 3.01Å; Q813-R817 PolarHBondContact O-N 2.73Å; Q814-R817 PolarHBondContact O-N 3.17Å; L815-R817 VanDerWaalsContact C-N 3.3Å; L815-R817 PolarHBondContact O-N 2.76Å
818A46.1Very low54.5Low51 Ų5166.1 Ų66.142%0.42132%0.317SS..Hα-helixtrans-82.4-30.1179.400000113.8Q814 L815 I816Q814-A818 WeakPolarHBondContact O-CB 3.49Å; Q814-A818 PolarHBondContact O-N 2.93Å; L815-A818 CarbonylContact O-C 3.47Å; L815-A818 WeakPolarHBondContact O-CA 3.21Å; L815-A818 PolarHBondContact O-N 2.94Å; I816-A818 VanDerWaalsContact C-N 3.34Å
819T45.5Very low55.7Low40 Ų4067 Ų6725%0.24532%0.322CS..THydrogen-bonded Turntrans-102.239.9-174.163.20000113.1L815L815-T819 HydrophobicContact CG-CG2 4.1Å; L815-T819 WeakPolarHBondContact O-CB 3.44Å; L815-T819 WeakPolarHBondContact O-CG2 3.34Å; L815-T819 PolarHBondContact O-N 3.14Å; L815-T819 PolarHBondContact O-OG1 2.7Å
820Y50.6Low56.7Low145 Ų14568.8 Ų68.857%0.56933%0.334SS*.THydrogen-bonded Turntrans5858.7-178.7-51.6-91.3000113.5D822 T823 I824Y820-D822 PolarHBondContact O-N 2.83Å; Y820-D822 VanDerWaalsContact O-N 3.09Å; Y820-T823 WeakPolarHBondContact CB-OG1 3.27Å; Y820-T823 WeakPolarHBondContact O-CA 3.43Å; Y820-T823 WeakPolarHBondContact O-CB 3.47Å; Y820-T823 PolarHBondContact O-N 3.31Å; Y820-I824 PolarHBondContact O-N 2.84Å
821G52.5Low57.9Low8 Ų869 Ų698%0.08233%0.333CS..Hα-helixtrans-49.6-36.8177.800000113.7I816 T823 I824 N825I816-G821 WeakPolarHBondContact O-CA 3.47Å; I816-G821 PolarHBondContact O-N 2.66Å; G821-T823 VanDerWaalsContact C-N 3.31Å; G821-T823 PolarHBondContact O-N 3.12Å; G821-I824 PolarHBondContact O-N 3.03Å; G821-N825 VanDerWaalsContact O-CB 3.29Å; G821-N825 WeakPolarHBondContact O-CB 3.11Å; G821-N825 PolarHBondContact O-N 3.18Å
822D54.5Low59.4Low143 Ų14365.6 Ų65.677%0.76532%0.315SS*.Hα-helixtrans-65-32.1174.5-59.4-23.8000112.9Y820 R826Y820-D822 PolarHBondContact O-N 2.83Å; Y820-D822 VanDerWaalsContact O-N 3.09Å; D822-R826 WeakPolarHBondContact O-CB 3.29Å; D822-R826 PolarHBondContact O-N 2.97Å
823T53.8Low60.7Low63 Ų6369.6 Ų69.639%0.38734%0.337SS..Hα-helixtrans-75.5-38.3178.1-60.50000111.8Y820 G821 K827Y820-T823 WeakPolarHBondContact CB-OG1 3.27Å; Y820-T823 WeakPolarHBondContact O-CA 3.43Å; Y820-T823 WeakPolarHBondContact O-CB 3.47Å; Y820-T823 PolarHBondContact O-N 3.31Å; G821-T823 VanDerWaalsContact C-N 3.31Å; G821-T823 PolarHBondContact O-N 3.12Å; T823-K827 HydrophobicContact CG2-CD 4.48Å; T823-K827 VanDerWaalsContact O-CB 3.28Å; T823-K827 WeakPolarHBondContact O-CB 3.42Å; T823-K827 VanDerWaalsContact O-CG 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.49Å; T823-K827 PolarHBondContact O-N 3.07Å
824I58.7Low62.1Low28 Ų2872.9 Ų72.914%0.14435%0.348CS..Hα-helixtrans-71-46.2176.4-54.6-180000109.5P783 Y820 G821 R826 K827 I828P783-I824 HydrophobicContact CB-CG2 4.14Å; P783-I824 HydrophobicContact CG-CB 4.4Å; P783-I824 HydrophobicContact CG-CG2 3.83Å; Y820-I824 PolarHBondContact O-N 2.84Å; G821-I824 PolarHBondContact O-N 3.03Å; I824-R826 PolarHBondContact O-N 2.92Å; I824-K827 PolarHBondContact O-N 3.33Å; I824-I828 HydrophobicContact CG2-CD1 4.21Å; I824-I828 WeakPolarHBondContact O-CG1 3.42Å; I824-I828 PolarHBondContact O-N 2.85Å
825N64.5Low63.3Low36 Ų3669.8 Ų69.819%0.19333%0.334CS..Hα-helixtrans-58.1-50.4176.3-161.334.1000110.5I782 G821 K827 I828 V829I782-N825 WeakPolarHBondContact CD1-OD1 3.09Å; G821-N825 VanDerWaalsContact O-CB 3.29Å; G821-N825 WeakPolarHBondContact O-CB 3.11Å; G821-N825 PolarHBondContact O-N 3.18Å; N825-K827 VanDerWaalsContact C-N 3.28Å; N825-K827 PolarHBondContact O-N 3.48Å; N825-I828 PolarHBondContact O-N 2.77Å; N825-I828 VanDerWaalsContact O-N 3.1Å; N825-V829 WeakPolarHBondContact O-CG2 3.33Å; N825-V829 PolarHBondContact O-N 3.33Å
826R67.4Low65Low178 Ų17870.4 Ų70.467%0.67234%0.339SS*.Hα-helixtrans-57.4-40.7176.3-170166.885.7161.34.7112.4D822 I824 V829 D830D822-R826 WeakPolarHBondContact O-CB 3.29Å; D822-R826 PolarHBondContact O-N 2.97Å; I824-R826 PolarHBondContact O-N 2.92Å; R826-V829 PolarHBondContact O-N 3.11Å; R826-D830 WeakPolarHBondContact O-CB 3.37Å; R826-D830 PolarHBondContact O-N 3.45Å
827K64.6Low66.7Low76 Ų7671.3 Ų71.333%0.3335%0.345SS..Hα-helixtrans-69.8-31.1178.1-82.4-175.6-177.5-177.20114.3F703 T823 I824 N825 H831F703-K827 HydrophobicContact CD1-CD 4.4Å; F703-K827 HydrophobicContact CE1-CB 3.47Å; F703-K827 VanDerWaalsContact CE1-CB 3.47Å; F703-K827 HydrophobicContact CE1-CD 3.37Å; F703-K827 HydrophobicContact CE1-CG 4.08Å; F703-K827 HydrophobicContact CZ-CB 3.61Å; F703-K827 HydrophobicContact CZ-CD 3.5Å; F703-K827 VanDerWaalsContact CZ-CD 3.5Å; F703-K827 HydrophobicContact CZ-CG 4.1Å; T823-K827 HydrophobicContact CG2-CD 4.48Å; T823-K827 VanDerWaalsContact O-CB 3.28Å; T823-K827 WeakPolarHBondContact O-CB 3.42Å; T823-K827 VanDerWaalsContact O-CG 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.49Å; T823-K827 PolarHBondContact O-N 3.07Å; I824-K827 PolarHBondContact O-N 3.33Å; N825-K827 VanDerWaalsContact C-N 3.28Å; N825-K827 PolarHBondContact O-N 3.48Å; K827-H831 WeakPolarHBondContact O-CB 3.33Å; K827-H831 PolarHBondContact O-N 3.46Å
828I67.5Low68.4Low43 Ų4365.4 Ų65.422%0.22133%0.331CS..Hα-helixtrans-68-45172.7-69.5171.7000109.1T158 I782 P783 I824 N825 H831 V832T158-I828 HydrophobicContact CG2-CG2 3.94Å; I782-I828 HydrophobicContact CG2-CD1 4.24Å; I782-I828 HydrophobicContact CG2-CG2 4.04Å; P783-I828 HydrophobicContact CB-CD1 3.73Å; P783-I828 HydrophobicContact CG-CD1 3.65Å; I824-I828 HydrophobicContact CG2-CD1 4.21Å; I824-I828 WeakPolarHBondContact O-CG1 3.42Å; I824-I828 PolarHBondContact O-N 2.85Å; N825-I828 PolarHBondContact O-N 2.77Å; N825-I828 VanDerWaalsContact O-N 3.1Å; I828-H831 WeakPolarHBondContact O-CA 3.09Å; I828-H831 WeakPolarHBondContact O-CB 3.38Å; I828-H831 PolarHBondContact O-N 2.84Å; I828-H831 VanDerWaalsContact O-N 3.08Å; I828-V832 WeakPolarHBondContact O-CG2 3.42Å; I828-V832 PolarHBondContact O-N 2.66Å
829V73.9Confident70.5Confident24 Ų2467.6 Ų67.615%0.14533%0.332CS..Hα-helixtrans-59.7-50.2174.2178.90000110.7Q154 N825 R826 H831 V832 D833Q154-V829 HydrophobicContact CG-CG2 4.21Å; N825-V829 WeakPolarHBondContact O-CG2 3.33Å; N825-V829 PolarHBondContact O-N 3.33Å; R826-V829 PolarHBondContact O-N 3.11Å; V829-H831 PolarHBondContact O-N 3.15Å; V829-H831 VanDerWaalsContact O-N 3.07Å; V829-V832 PolarHBondContact O-N 3.09Å; V829-D833 PolarHBondContact O-N 3.34Å
830D76Confident72.5Confident82 Ų8267.5 Ų67.544%0.43933%0.329SS..Hα-helixtrans-55.7-30.4174.9-65.1-22.3000111.8R826 W834R826-D830 WeakPolarHBondContact O-CB 3.37Å; R826-D830 PolarHBondContact O-N 3.45Å; D830-W834 VanDerWaalsContact O-CB 3.29Å; D830-W834 WeakPolarHBondContact O-CB 3.49Å; D830-W834 PolarHBondContact O-N 2.97Å
831H75.9Confident74.3Confident68 Ų6863.2 Ų63.232%0.31532%0.318SS..Hα-helixtrans-78.1-40.9177.1-171.757.8000112.5K827 I828 V829 D833 W834 M835K827-H831 WeakPolarHBondContact O-CB 3.33Å; K827-H831 PolarHBondContact O-N 3.46Å; I828-H831 WeakPolarHBondContact O-CA 3.09Å; I828-H831 WeakPolarHBondContact O-CB 3.38Å; I828-H831 PolarHBondContact O-N 2.84Å; I828-H831 VanDerWaalsContact O-N 3.08Å; V829-H831 PolarHBondContact O-N 3.15Å; V829-H831 VanDerWaalsContact O-N 3.07Å; H831-D833 VanDerWaalsContact C-N 3.32Å; H831-W834 AromaticContact CE1-CE3 3.35Å; H831-W834 AromaticContact CE1-CZ3 3.38Å; H831-W834 WeakPolarHBondContact CE1-CZ3 3.17Å; H831-W834 AromaticContact ND1-CE3 3.43Å; H831-W834 AromaticContact ND1-CZ3 3.95Å; H831-W834 WeakPolarHBondContact O-CB 3.29Å; H831-W834 PolarHBondContact O-N 3.43Å; H831-M835 WeakPolarHBondContact O-CG 3.49Å; H831-M835 PolarHBondContact O-N 3.28Å
832V80.4Confident76.1Confident4 Ų462.9 Ų62.92%0.02431%0.314CS..Hα-helixtrans-60.3-47.3171.8176.90000109.4W153 F157 T158 I828 V829 W834 M835 T836W153-V832 HydrophobicContact CB-CG1 4.25Å; F157-V832 HydrophobicContact CB-CG2 4.22Å; F157-V832 HydrophobicContact CD2-CG1 3.93Å; T158-V832 HydrophobicContact CG2-CG2 4.06Å; I828-V832 WeakPolarHBondContact O-CG2 3.42Å; I828-V832 PolarHBondContact O-N 2.66Å; V829-V832 PolarHBondContact O-N 3.09Å; V832-W834 VanDerWaalsContact C-N 3.27Å; V832-W834 PolarHBondContact O-N 2.98Å; V832-M835 HydrophobicContact CB-CE 4.47Å; V832-M835 HydrophobicContact CG2-CE 4.08Å; V832-M835 PolarHBondContact O-N 3.44Å; V832-T836 HydrophobicContact CG1-CG2 4.43Å; V832-T836 PolarHBondContact O-N 2.91Å; V832-T836 PolarHBondContact O-OG1 3.4Å
833D81.4Confident77.7Confident88 Ų8858.9 Ų58.947%0.47129%0.293SS..Hα-helixtrans-58.1-39.7175.9-70.3-19000112.1V829 H831 T836 S837V829-D833 PolarHBondContact O-N 3.34Å; H831-D833 VanDerWaalsContact C-N 3.32Å; D833-T836 PolarHBondContact O-OG1 3.33Å; D833-S837 PolarHBondContact O-N 2.87Å
834W85.3Confident79.2Confident106 Ų10659.1 Ų59.140%0.40230%0.297SS..Hα-helixtrans-65.4-45.7173.1173.177000112D830 H831 V832 T836 S837 Q840D830-W834 VanDerWaalsContact O-CB 3.29Å; D830-W834 WeakPolarHBondContact O-CB 3.49Å; D830-W834 PolarHBondContact O-N 2.97Å; H831-W834 AromaticContact CE1-CE3 3.35Å; H831-W834 AromaticContact CE1-CZ3 3.38Å; H831-W834 WeakPolarHBondContact CE1-CZ3 3.17Å; H831-W834 AromaticContact ND1-CE3 3.43Å; H831-W834 AromaticContact ND1-CZ3 3.95Å; H831-W834 WeakPolarHBondContact O-CB 3.29Å; H831-W834 PolarHBondContact O-N 3.43Å; V832-W834 VanDerWaalsContact C-N 3.27Å; V832-W834 PolarHBondContact O-N 2.98Å; W834-T836 VanDerWaalsContact C-N 3.27Å; W834-T836 PolarHBondContact O-N 2.99Å; W834-S837 VanDerWaalsContact O-CB 3.24Å; W834-S837 WeakPolarHBondContact O-CB 3.32Å; W834-S837 PolarHBondContact O-N 3.48Å; W834-S837 VanDerWaalsContact O-N 3.11Å; W834-S837 PolarHBondContact O-OG 3.22Å; W834-Q840 HydrophobicContact CD2-CG 3.98Å; W834-Q840 HydrophobicContact CE3-CG 4.4Å; W834-Q840 HydrophobicContact CG-CG 4.41Å; W834-Q840 HydrophobicContact CH2-CG 4.33Å; W834-Q840 HydrophobicContact CZ2-CG 3.9Å; W834-Q840 VanDerWaalsContact CZ2-OE1 3.23Å; W834-Q840 WeakPolarHBondContact O-CB 3.4Å; W834-Q840 WeakPolarHBondContact O-CG 3.3Å
835M76.1Confident80.6Confident67 Ų6758.8 Ų58.833%0.3330%0.297SS..Hα-helixtrans-63.1-34.5178.8-73.7-171-63.900112.3H831 V832 S837 Q840H831-M835 WeakPolarHBondContact O-CG 3.49Å; H831-M835 PolarHBondContact O-N 3.28Å; V832-M835 HydrophobicContact CB-CE 4.47Å; V832-M835 HydrophobicContact CG2-CE 4.08Å; V832-M835 PolarHBondContact O-N 3.44Å; M835-S837 VanDerWaalsContact C-N 3.32Å; M835-Q840 WeakPolarHBondContact O-CB 3.13Å
836T85.6Confident81.8Confident43 Ų4360 Ų6026%0.26430%0.3SS..THydrogen-bonded Turntrans-90.96.1177.459.70000113W153 F157 V832 D833 W834W153-T836 HydrophobicContact CB-CG2 3.7Å; W153-T836 HydrophobicContact CD2-CG2 4.23Å; W153-T836 HydrophobicContact CG-CG2 3.71Å; F157-T836 HydrophobicContact CE2-CG2 4.01Å; V832-T836 HydrophobicContact CG1-CG2 4.43Å; V832-T836 PolarHBondContact O-N 2.91Å; V832-T836 PolarHBondContact O-OG1 3.4Å; D833-T836 PolarHBondContact O-OG1 3.33Å; W834-T836 VanDerWaalsContact C-N 3.27Å; W834-T836 PolarHBondContact O-N 2.99Å
837S88.7Confident82.6Confident20 Ų2057.8 Ų57.814%0.1429%0.292CS..SBendtrans-67150.517897.20000110.8D833 W834 M835 E839 Q840 V841D833-S837 PolarHBondContact O-N 2.87Å; W834-S837 VanDerWaalsContact O-CB 3.24Å; W834-S837 WeakPolarHBondContact O-CB 3.32Å; W834-S837 PolarHBondContact O-N 3.48Å; W834-S837 VanDerWaalsContact O-N 3.11Å; W834-S837 PolarHBondContact O-OG 3.22Å; M835-S837 VanDerWaalsContact C-N 3.32Å; S837-E839 WeakPolarHBondContact CB-OE2 3.49Å; S837-E839 PolarHBondContact O-N 3Å; S837-E839 VanDerWaalsContact O-N 3.09Å; S837-E839 PolarHBondContact OG-N 3.4Å; S837-E839 PolarHBondContact OG-OE2 3.3Å; S837-Q840 PolarHBondContact O-N 2.66Å; S837-Q840 VanDerWaalsContact O-N 3.08Å; S837-Q840 PolarHBondContact OG-N 3.48Å; S837-V841 WeakPolarHBondContact O-CG2 3.23Å; S837-V841 PolarHBondContact O-N 2.93Å
838P87.9Confident83.6Confident60 Ų6056.8 Ų56.839%0.3929%0.287SS..Hα-helixtrans-54.9-32.4-179.9-27.635.9000113.9A97 I99 I100 A842A97-P838 HydrophobicContact CB-CB 4.34Å; I99-P838 HydrophobicContact CG2-CB 4.39Å; I100-P838 HydrophobicContact CD1-CB 4.08Å; I100-P838 WeakPolarHBondContact CG1-O 2.95Å; P838-A842 WeakPolarHBondContact O-CB 3.31Å; P838-A842 PolarHBondContact O-N 2.79Å
839E89.5Confident84.7Confident97 Ų9756.8 Ų56.845%0.45329%0.285SS..Hα-helixtrans-69.3-45.2177.8-56.973.2-15800111.9I99 S837 A842 D843I99-E839 HydrophobicContact CD1-CG 4.38Å; S837-E839 WeakPolarHBondContact CB-OE2 3.49Å; S837-E839 PolarHBondContact O-N 3Å; S837-E839 VanDerWaalsContact O-N 3.09Å; S837-E839 PolarHBondContact OG-N 3.4Å; S837-E839 PolarHBondContact OG-OE2 3.3Å; E839-A842 PolarHBondContact O-N 3.17Å; E839-D843 WeakPolarHBondContact O-CB 3.43Å; E839-D843 PolarHBondContact O-N 2.89Å
840Q87Confident85.3Confident39 Ų3959.1 Ų59.118%0.18230%0.296CS..Hα-helixtrans-70.5-37.2178.7-67-48-6300111.9W834 M835 S837 D843 S844W834-Q840 HydrophobicContact CD2-CG 3.98Å; W834-Q840 HydrophobicContact CE3-CG 4.4Å; W834-Q840 HydrophobicContact CG-CG 4.41Å; W834-Q840 HydrophobicContact CH2-CG 4.33Å; W834-Q840 HydrophobicContact CZ2-CG 3.9Å; W834-Q840 VanDerWaalsContact CZ2-OE1 3.23Å; W834-Q840 WeakPolarHBondContact O-CB 3.4Å; W834-Q840 WeakPolarHBondContact O-CG 3.3Å; M835-Q840 WeakPolarHBondContact O-CB 3.13Å; S837-Q840 PolarHBondContact O-N 2.66Å; S837-Q840 VanDerWaalsContact O-N 3.08Å; S837-Q840 PolarHBondContact OG-N 3.48Å; Q840-D843 PolarHBondContact O-N 3Å; Q840-S844 WeakPolarHBondContact O-CB 3.17Å; Q840-S844 PolarHBondContact O-N 2.73Å; Q840-S844 PolarHBondContact O-OG 2.85Å
841V89.3Confident85.7Confident55 Ų5557.5 Ų57.533%0.33329%0.294SS..Hα-helixtrans-62.6-46.6172.51760000110.1I100 S837 D843 S844 V845I100-V841 HydrophobicContact CD1-CB 4.15Å; I100-V841 HydrophobicContact CD1-CG1 3.97Å; I100-V841 HydrophobicContact CG1-CG1 4.4Å; I100-V841 HydrophobicContact CG2-CG1 4.22Å; S837-V841 WeakPolarHBondContact O-CG2 3.23Å; S837-V841 PolarHBondContact O-N 2.93Å; V841-D843 VanDerWaalsContact C-N 3.34Å; V841-D843 PolarHBondContact O-N 2.86Å; V841-S844 WeakPolarHBondContact O-CB 3.33Å; V841-S844 PolarHBondContact O-N 2.96Å; V841-S844 VanDerWaalsContact O-N 3.16Å; V841-V845 WeakPolarHBondContact O-CG2 3.47Å; V841-V845 PolarHBondContact O-N 3.43Å
842A89.6Confident86Confident0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-59.1-44176.200000112.5I99 I100 P838 E839 S844 V845 K846I99-A842 HydrophobicContact CB-CB 4.34Å; I99-A842 HydrophobicContact CD1-CB 4.44Å; I99-A842 HydrophobicContact CG1-CB 3.81Å; I99-A842 HydrophobicContact CG2-CB 4.08Å; I99-A842 WeakPolarHBondContact O-CB 3.39Å; I100-A842 HydrophobicContact CG1-CB 3.95Å; P838-A842 WeakPolarHBondContact O-CB 3.31Å; P838-A842 PolarHBondContact O-N 2.79Å; E839-A842 PolarHBondContact O-N 3.17Å; A842-S844 VanDerWaalsContact C-N 3.3Å; A842-S844 PolarHBondContact O-N 2.89Å; A842-V845 PolarHBondContact O-N 3.29Å; A842-K846 VanDerWaalsContact O-CG 3.29Å; A842-K846 WeakPolarHBondContact O-CG 3.5Å; A842-K846 PolarHBondContact O-N 2.89Å
843D87.9Confident86.5Confident59 Ų5955.1 Ų55.132%0.31628%0.283SS..Hα-helixtrans-65.7-34.7177.1-78.3-5.7000112.2E839 Q840 V841 K846 R847E839-D843 WeakPolarHBondContact O-CB 3.43Å; E839-D843 PolarHBondContact O-N 2.89Å; Q840-D843 PolarHBondContact O-N 3Å; V841-D843 VanDerWaalsContact C-N 3.34Å; V841-D843 PolarHBondContact O-N 2.86Å; D843-K846 PolarHBondContact O-N 2.89Å; D843-K846 IonicContact OD1-NZ 3.4Å; D843-K846 PolarHBondContact OD1-NZ 3.38Å; D843-R847 WeakPolarHBondContact O-CG 3.36Å; D843-R847 PolarHBondContact O-N 3.13Å
844S85.3Confident86.8Confident68 Ų6853.5 Ų53.548%0.47628%0.277SS..Hα-helixtrans-65.4-44.4173.4-58.60000111.5Q840 V841 A842 K846 R847 F848Q840-S844 WeakPolarHBondContact O-CB 3.17Å; Q840-S844 PolarHBondContact O-N 2.73Å; Q840-S844 PolarHBondContact O-OG 2.85Å; V841-S844 WeakPolarHBondContact O-CB 3.33Å; V841-S844 PolarHBondContact O-N 2.96Å; V841-S844 VanDerWaalsContact O-N 3.16Å; A842-S844 VanDerWaalsContact C-N 3.3Å; A842-S844 PolarHBondContact O-N 2.89Å; S844-K846 PolarHBondContact O-N 3.17Å; S844-R847 PolarHBondContact O-N 3.42Å; S844-F848 WeakPolarHBondContact O-CB 3.48Å; S844-F848 PolarHBondContact O-N 3.36Å
845V89.1Confident86.8Confident22 Ų2256.4 Ų56.413%0.13330%0.3CS..Hα-helixtrans-63.8-39.7175.2178.70000111.3I100 P103 L104 V107 V841 A842 F848 R849I100-V845 HydrophobicContact CG2-CG2 4.44Å; P103-V845 HydrophobicContact CB-CB 4.23Å; P103-V845 HydrophobicContact CB-CG1 3.65Å; L104-V845 HydrophobicContact CD2-CG1 3.68Å; L104-V845 HydrophobicContact CD2-CG2 4.08Å; L104-V845 HydrophobicContact CG-CG1 3.96Å; L104-V845 HydrophobicContact CG-CG2 4.41Å; V107-V845 HydrophobicContact CG2-CG1 4.37Å; V841-V845 WeakPolarHBondContact O-CG2 3.47Å; V841-V845 PolarHBondContact O-N 3.43Å; A842-V845 PolarHBondContact O-N 3.29Å; V845-F848 PolarHBondContact O-N 3.04Å; V845-R849 WeakPolarHBondContact O-CB 3.46Å; V845-R849 PolarHBondContact O-N 3.32Å
846K89.4Confident87.3Confident62 Ų6253.9 Ų53.927%0.2729%0.292SS..Hα-helixtrans-62.4-44.2174.9-71.2169.1-161.9159.60111.6P103 A842 D843 S844 R849 D850P103-K846 HydrophobicContact CB-CG 3.99Å; P103-K846 HydrophobicContact CG-CD 4.45Å; P103-K846 HydrophobicContact CG-CG 3.7Å; A842-K846 VanDerWaalsContact O-CG 3.29Å; A842-K846 WeakPolarHBondContact O-CG 3.5Å; A842-K846 PolarHBondContact O-N 2.89Å; D843-K846 PolarHBondContact O-N 2.89Å; D843-K846 IonicContact OD1-NZ 3.4Å; D843-K846 PolarHBondContact OD1-NZ 3.38Å; S844-K846 PolarHBondContact O-N 3.17Å; K846-R849 WeakPolarHBondContact O-CB 3.46Å; K846-R849 PolarHBondContact O-N 3.41Å; K846-D850 WeakPolarHBondContact O-CB 3.45Å; K846-D850 PolarHBondContact O-N 2.98Å
847R85.1Confident87.4Confident130 Ų13057.5 Ų57.549%0.49131%0.308SS..Hα-helixtrans-63.2-42176.3-73.1178.4-168.6172.38.8112W278 D843 S844 D850 A851W278-R847 VanDerWaalsContact CH2-NH1 3.32Å; D843-R847 WeakPolarHBondContact O-CG 3.36Å; D843-R847 PolarHBondContact O-N 3.13Å; S844-R847 PolarHBondContact O-N 3.42Å; R847-D850 PolarHBondContact O-N 3.3Å; R847-A851 VanDerWaalsContact O-CB 3.26Å; R847-A851 WeakPolarHBondContact O-CB 3.11Å; R847-A851 PolarHBondContact O-N 3.28Å
848F85.4Confident87.3Confident55 Ų5559.7 Ų59.724%0.24132%0.318CS..Hα-helixtrans-59-50.2173.6172.2-94.1000110.9V107 I258 S844 V845 D850 A851 F852 W853V107-F848 HydrophobicContact CG1-CD1 4.46Å; V107-F848 HydrophobicContact CG1-CE1 3.88Å; V107-F848 HydrophobicContact CG2-CD1 4.11Å; V107-F848 HydrophobicContact CG2-CE1 4.3Å; I258-F848 HydrophobicContact CG2-CZ 4.28Å; S844-F848 WeakPolarHBondContact O-CB 3.48Å; S844-F848 PolarHBondContact O-N 3.36Å; V845-F848 PolarHBondContact O-N 3.04Å; F848-D850 VanDerWaalsContact C-N 3.34Å; F848-D850 PolarHBondContact O-N 3.05Å; F848-A851 PolarHBondContact O-N 2.83Å; F848-F852 AromaticContact CD2-CD2 3.88Å; F848-F852 HydrophobicContact CD2-CD2 3.88Å; F848-F852 AromaticContact CD2-CE2 3.82Å; F848-F852 HydrophobicContact CD2-CE2 3.82Å; F848-F852 HydrophobicContact CE1-CD2 4.49Å; F848-F852 AromaticContact CE2-CD2 3.53Å; F848-F852 HydrophobicContact CE2-CD2 3.53Å; F848-F852 AromaticContact CE2-CE2 3.28Å; F848-F852 HydrophobicContact CE2-CE2 3.28Å; F848-F852 HydrophobicContact CE2-CG 4.39Å; F848-F852 AromaticContact CE2-CZ 3.94Å; F848-F852 HydrophobicContact CE2-CZ 3.94Å; F848-F852 HydrophobicContact CG-CD2 4.49Å; F848-F852 AromaticContact CZ-CD2 3.87Å; F848-F852 HydrophobicContact CZ-CD2 3.87Å; F848-F852 AromaticContact CZ-CE2 3.92Å; F848-F852 HydrophobicContact CZ-CE2 3.92Å; F848-F852 HydrophobicContact CZ-CG 4.29Å; F848-F852 HydrophobicContact CZ-CZ 4.35Å; F848-F852 PolarHBondContact O-N 2.96Å; F848-W853 HydrophobicContact CE1-CZ3 4.29Å
849R89.6Confident87Confident44 Ų4458.6 Ų58.617%0.16631%0.314CS..Hα-helixtrans-55.9-48175.9-179.6-156.566.6-157.5-5.6111.3V107 F110 V845 K846 A851 F852 W853V107-R849 HydrophobicContact CG2-CB 3.77Å; V107-R849 HydrophobicContact CG2-CG 4.1Å; F110-R849 HydrophobicContact CD2-CG 4.17Å; F110-R849 HydrophobicContact CE2-CG 3.92Å; V845-R849 WeakPolarHBondContact O-CB 3.46Å; V845-R849 PolarHBondContact O-N 3.32Å; K846-R849 WeakPolarHBondContact O-CB 3.46Å; K846-R849 PolarHBondContact O-N 3.41Å; R849-A851 VanDerWaalsContact C-N 3.31Å; R849-A851 PolarHBondContact O-N 2.89Å; R849-F852 PolarHBondContact O-N 2.93Å; R849-W853 CarbonylContact O-C 3.51Å; R849-W853 VanDerWaalsContact O-CA 3.28Å; R849-W853 WeakPolarHBondContact O-CA 3.28Å; R849-W853 WeakPolarHBondContact O-CB 3.41Å; R849-W853 PolarHBondContact O-N 3.45Å
850D87.6Confident86.5Confident73 Ų7362.4 Ų62.439%0.3933%0.332SS..Hα-helixtrans-73.9-22.9-176-64.9-20.5000112.7K846 R847 F848 P854K846-D850 WeakPolarHBondContact O-CB 3.45Å; K846-D850 PolarHBondContact O-N 2.98Å; R847-D850 PolarHBondContact O-N 3.3Å; F848-D850 VanDerWaalsContact C-N 3.34Å; F848-D850 PolarHBondContact O-N 3.05Å; D850-P854 VanDerWaalsContact O-CA 3.29Å; D850-P854 WeakPolarHBondContact O-CA 3.35Å; D850-P854 WeakPolarHBondContact O-CD 3.47Å
851A82.8Confident85.6Confident48 Ų4865.4 Ų65.440%0.39736%0.363SS..Hα-helixtrans-74.8-44.7173.200000111.8R847 F848 R849 A859R847-A851 VanDerWaalsContact O-CB 3.26Å; R847-A851 WeakPolarHBondContact O-CB 3.11Å; R847-A851 PolarHBondContact O-N 3.28Å; F848-A851 PolarHBondContact O-N 2.83Å; R849-A851 VanDerWaalsContact C-N 3.31Å; R849-A851 PolarHBondContact O-N 2.89Å; A851-A859 WeakPolarHBondContact O-CB 3.4Å
852F83Confident84.6Confident20 Ų2068.7 Ų68.79%0.08838%0.383CS..Hα-helixtrans-81.8-31.9178.6-84.3-102.5000113P261 F848 R849 A859P261-F852 HydrophobicContact CB-CE1 4.11Å; P261-F852 HydrophobicContact CB-CZ 4.13Å; F848-F852 AromaticContact CD2-CD2 3.88Å; F848-F852 HydrophobicContact CD2-CD2 3.88Å; F848-F852 AromaticContact CD2-CE2 3.82Å; F848-F852 HydrophobicContact CD2-CE2 3.82Å; F848-F852 HydrophobicContact CE1-CD2 4.49Å; F848-F852 AromaticContact CE2-CD2 3.53Å; F848-F852 HydrophobicContact CE2-CD2 3.53Å; F848-F852 AromaticContact CE2-CE2 3.28Å; F848-F852 HydrophobicContact CE2-CE2 3.28Å; F848-F852 HydrophobicContact CE2-CG 4.39Å; F848-F852 AromaticContact CE2-CZ 3.94Å; F848-F852 HydrophobicContact CE2-CZ 3.94Å; F848-F852 HydrophobicContact CG-CD2 4.49Å; F848-F852 AromaticContact CZ-CD2 3.87Å; F848-F852 HydrophobicContact CZ-CD2 3.87Å; F848-F852 AromaticContact CZ-CE2 3.92Å; F848-F852 HydrophobicContact CZ-CE2 3.92Å; F848-F852 HydrophobicContact CZ-CG 4.29Å; F848-F852 HydrophobicContact CZ-CZ 4.35Å; F848-F852 PolarHBondContact O-N 2.96Å; R849-F852 PolarHBondContact O-N 2.93Å; F852-A859 WeakPolarHBondContact O-CB 3.45Å; F852-A859 PolarHBondContact O-N 3.09Å
853W90.4Very high83.7Confident1 Ų173.8 Ų73.80%0.00442%0.416CS..SBendtrans-131.565.5-178.9-65.4-81.5000112.4V107 F110 S111 D114 Y115 F848 R849 N855 G856 I857 L858V107-W853 HydrophobicContact CG1-CZ3 4.16Å; F110-W853 HydrophobicContact CB-CD2 3.54Å; F110-W853 VanDerWaalsContact CB-CE2 3.42Å; F110-W853 HydrophobicContact CB-CE3 4.16Å; F110-W853 HydrophobicContact CB-CG 3.71Å; F110-W853 HydrophobicContact CB-CZ2 3.94Å; F110-W853 HydrophobicContact CD2-CB 3.57Å; F110-W853 AromaticContact CD2-CD2 3.85Å; F110-W853 HydrophobicContact CD2-CD2 3.85Å; F110-W853 HydrophobicContact CD2-CE3 4.16Å; F110-W853 AromaticContact CD2-CG 3.58Å; F110-W853 HydrophobicContact CD2-CG 3.58Å; F110-W853 HydrophobicContact CE2-CB 3.99Å; F110-W853 HydrophobicContact CE2-CG 4.45Å; F110-W853 HydrophobicContact CG-CB 4.31Å; F110-W853 HydrophobicContact CG-CD2 4.14Å; F110-W853 AromaticContact CG-CG 3.92Å; F110-W853 HydrophobicContact CG-CG 3.92Å; S111-W853 VanDerWaalsContact OG-CH2 3.27Å; S111-W853 WeakPolarHBondContact OG-CH2 3.28Å; D114-W853 PolarHBondContact OD2-NE1 2.9Å; Y115-W853 AromaticContact CE2-CZ2 3.99Å; Y115-W853 HydrophobicContact CE2-CZ2 3.99Å; F848-W853 HydrophobicContact CE1-CZ3 4.29Å; R849-W853 CarbonylContact O-C 3.51Å; R849-W853 VanDerWaalsContact O-CA 3.28Å; R849-W853 WeakPolarHBondContact O-CA 3.28Å; R849-W853 WeakPolarHBondContact O-CB 3.41Å; R849-W853 PolarHBondContact O-N 3.45Å; W853-N855 PolarHBondContact O-N 3.27Å; W853-G856 PolarHBondContact O-N 2.59Å; W853-I857 CarbonylContact C-O 3.25Å; W853-I857 WeakPolarHBondContact CA-O 3.06Å; W853-L858 VanDerWaalsContact CD1-CA 3.49Å; W853-L858 HydrophobicContact CZ2-CD1 4.36Å
854P87.2Confident82.9Confident55 Ų5575.4 Ų75.436%0.35743%0.431SS..G310 helixtrans-56.9126174.724.7-34.7000110.1D850 G856 I857 A859D850-P854 VanDerWaalsContact O-CA 3.29Å; D850-P854 WeakPolarHBondContact O-CA 3.35Å; D850-P854 WeakPolarHBondContact O-CD 3.47Å; P854-G856 PolarHBondContact O-N 2.74Å; P854-G856 VanDerWaalsContact O-N 3.1Å; P854-I857 VanDerWaalsContact CD-O 3.24Å; P854-I857 WeakPolarHBondContact CD-O 3.39Å; P854-I857 PolarHBondContact O-N 2.99Å; P854-I857 VanDerWaalsContact O-N 3.14Å; P854-A859 HydrophobicContact CG-CB 4.06Å
855N86.2Confident82.7Confident166 Ų16676.1 Ų76.189%0.88842%0.423SS*.G310 helixtrans54.824.3-173.9-53-50.4000114.2W853W853-N855 PolarHBondContact O-N 3.27Å
856G86.5Confident82.7Confident15 Ų1579.7 Ų79.716%0.15544%0.442CS..G310 helixtrans79.313.3179.900000114.9R113 W853 P854R113-G856 PolarHBondContact NH1-O 3.24Å; R113-G856 PolarHBondContact NH2-O 3.06Å; W853-G856 PolarHBondContact O-N 2.59Å; P854-G856 PolarHBondContact O-N 2.74Å; P854-G856 VanDerWaalsContact O-N 3.1Å
857I88Confident82.7Confident119 Ų11983.1 Ų83.161%0.6146%0.457SS*.SBendtrans-114.2136.8177.6-58.1171.9000108.4W853 P854 A859W853-I857 CarbonylContact C-O 3.25Å; W853-I857 WeakPolarHBondContact CA-O 3.06Å; P854-I857 VanDerWaalsContact CD-O 3.24Å; P854-I857 WeakPolarHBondContact CD-O 3.39Å; P854-I857 PolarHBondContact O-N 2.99Å; P854-I857 VanDerWaalsContact O-N 3.14Å; I857-A859 PolarHBondContact O-N 3.02Å
858L85.4Confident83Confident66 Ų6678.5 Ų78.535%0.34645%0.445SS..PPolyproline II helixtrans-53.9125.3179.2-174.867.4000109.7D114 W853 E860D114-L858 HydrophobicContact CB-CB 4.49Å; D114-L858 HydrophobicContact CB-CD2 4.31Å; W853-L858 VanDerWaalsContact CD1-CA 3.49Å; W853-L858 HydrophobicContact CZ2-CD1 4.36Å; L858-E860 PolarHBondContact O-N 2.81Å
859A82.6Confident83.2Confident37 Ų3778.6 Ų78.631%0.30645%0.447SS..PPolyproline II helixtrans-58.7126.6-179.700000109.5A851 F852 P854 I857A851-A859 WeakPolarHBondContact O-CB 3.4Å; F852-A859 WeakPolarHBondContact O-CB 3.45Å; F852-A859 PolarHBondContact O-N 3.09Å; P854-A859 HydrophobicContact CG-CB 4.06Å; I857-A859 PolarHBondContact O-N 3.02Å
860E79.3Confident83.3Confident177 Ų17780.5 Ų80.583%0.82745%0.454SS*.PPolyproline II helixtrans-62.8150.5167.4-68.8-176.417600109.4L858 V862L858-E860 PolarHBondContact O-N 2.81Å; E860-V862 PolarHBondContact O-N 3.27Å
861A68.4Low83.6Confident101 Ų10178.8 Ų78.884%0.83544%0.444SS*.  trans-56.5109.3174.600000109P863A861-P863 WeakPolarHBondContact O-CD 3.29Å; A861-P863 VanDerWaalsContact O-N 3.16Å
862V67.3Low84Confident125 Ų12580.4 Ų80.476%0.75844%0.44SS*.PPolyproline II helixtrans-61.8120.6-179.4-179.30000107.3E860 C864E860-V862 PolarHBondContact O-N 3.27Å; V862-C864 PolarHBondContact O-N 2.86Å
863P70.7Confident84.4Confident106 Ų10680.2 Ų80.269%0.68844%0.441SS*.PPolyproline II helixtrans-60.1141.7178.224.5-32.5000109A861 R865A861-P863 WeakPolarHBondContact O-CD 3.29Å; A861-P863 VanDerWaalsContact O-N 3.16Å; P863-R865 PolarHBondContact O-N 2.96Å; P863-R865 VanDerWaalsContact O-N 3.09Å
864C71Confident84.4Confident94 Ų9484.8 Ų84.864%0.63546%0.458SS*.PPolyproline II helixtrans-53.6122.7178.2-169.20000109.2V862 D866 R870V862-C864 PolarHBondContact O-N 2.86Å; C864-D866 PolarHBondContact O-N 3.34Å; C864-R870 PolarHBondContact SG-NH1 3.3Å; C864-R870 VanDerWaalsContact SG-NH1 3.43Å
865R82.6Confident84.4Confident82 Ų8282.5 Ų82.531%0.30944%0.443SS..PPolyproline II helixtrans-55.9142.2178.5-72.5173.872.8-143.48.5109.2D270 Q274 P863 K867 I869 R870 T873D270-R865 VanDerWaalsContact CG-NH1 3.26Å; D270-R865 IonicContact OD1-NH1 3.05Å; D270-R865 PolarHBondContact OD1-NH1 3.29Å; D270-R865 WeakPolarHBondContact OD2-CD 3.27Å; D270-R865 IonicContact OD2-CZ 2.62Å; D270-R865 IonicContact OD2-NE 3.21Å; D270-R865 IonicContact OD2-NH1 3.7Å; D270-R865 PolarHBondContact OD2-NH1 2.97Å; Q274-R865 VanDerWaalsContact NE2-NH1 3.13Å; P863-R865 PolarHBondContact O-N 2.96Å; P863-R865 VanDerWaalsContact O-N 3.09Å; R865-K867 PolarHBondContact O-N 2.87Å; R865-I869 VanDerWaalsContact CZ-CG2 3.43Å; R865-R870 HydrophobicContact CB-CG 3.91Å; R865-R870 WeakPolarHBondContact O-CD 3.47Å; R865-R870 PolarHBondContact O-NE 2.74Å; R865-T873 PolarHBondContact NH1-OG1 2.95Å; R865-T873 PolarHBondContact NH2-OG1 2.6Å; R865-T873 VanDerWaalsContact NH2-OG1 3.13Å
866D88.8Confident84.5Confident98 Ų9876.6 Ų76.652%0.52442%0.417SS..PPolyproline II helixtrans-50.9141.8-179.3175.951.2000111.3C864 S868 I869 R870C864-D866 PolarHBondContact O-N 3.34Å; D866-S868 PolarHBondContact O-N 3.38Å; D866-S868 WeakPolarHBondContact OD2-CB 2.96Å; D866-S868 PolarHBondContact OD2-N 3.06Å; D866-S868 VanDerWaalsContact OD2-N 3.16Å; D866-I869 HydrophobicContact CB-CB 4.45Å; D866-I869 HydrophobicContact CB-CD1 3.94Å; D866-I869 HydrophobicContact CB-CG1 4.06Å; D866-I869 WeakPolarHBondContact O-CA 3.28Å; D866-I869 WeakPolarHBondContact O-CB 3.4Å; D866-I869 PolarHBondContact O-N 2.56Å; D866-R870 PolarHBondContact O-N 3.47Å
867K89.1Confident84.3Confident133 Ų13375.9 Ų75.958%0.57841%0.41SS*.Hα-helixtrans-57-39.9-174.5-174.6-178.7176.6-175.50110.8R865 I869 R870 M871R865-K867 PolarHBondContact O-N 2.87Å; K867-I869 VanDerWaalsContact C-N 3.34Å; K867-I869 PolarHBondContact O-N 3.01Å; K867-R870 PolarHBondContact O-N 3.48Å; K867-M871 HydrophobicContact CG-CE 4.45Å; K867-M871 VanDerWaalsContact O-CG 3.28Å; K867-M871 WeakPolarHBondContact O-CG 3.24Å; K867-M871 PolarHBondContact O-N 3.13Å
868S90.6Very high83.8Confident34 Ų3472.8 Ų72.824%0.23839%0.392CS..Hα-helixtrans-63-41.1177.3179.50000111.8A305 D866 M871 R872A305-S868 WeakPolarHBondContact CB-O 3.39Å; D866-S868 PolarHBondContact O-N 3.38Å; D866-S868 WeakPolarHBondContact OD2-CB 2.96Å; D866-S868 PolarHBondContact OD2-N 3.06Å; D866-S868 VanDerWaalsContact OD2-N 3.16Å; S868-M871 PolarHBondContact O-N 2.99Å; S868-R872 WeakPolarHBondContact O-CG 3.37Å; S868-R872 PolarHBondContact O-N 3.26Å
869I91.3Very high83.4Confident56 Ų5669.8 Ų69.829%0.28738%0.376SS..Hα-helixtrans-61.9-47.8176.4-62.3176.2000110.8R865 D866 K867 M871 R872 T873R865-I869 VanDerWaalsContact CZ-CG2 3.43Å; D866-I869 HydrophobicContact CB-CB 4.45Å; D866-I869 HydrophobicContact CB-CD1 3.94Å; D866-I869 HydrophobicContact CB-CG1 4.06Å; D866-I869 WeakPolarHBondContact O-CA 3.28Å; D866-I869 WeakPolarHBondContact O-CB 3.4Å; D866-I869 PolarHBondContact O-N 2.56Å; K867-I869 VanDerWaalsContact C-N 3.34Å; K867-I869 PolarHBondContact O-N 3.01Å; I869-M871 VanDerWaalsContact C-N 3.34Å; I869-M871 PolarHBondContact O-N 3.46Å; I869-R872 PolarHBondContact O-N 2.9Å; I869-T873 PolarHBondContact O-N 2.98Å; I869-T873 PolarHBondContact O-OG1 3.39Å
870R91.3Very high83Confident85 Ų8569.1 Ų69.132%0.32137%0.366SS..Hα-helixtrans-60.1-42.9179-67.7-172.1-79.4163.5-2.9112D270 C864 R865 D866 K867 R872 T873 R874D270-R870 HydrophobicContact CB-CG 4.09Å; C864-R870 PolarHBondContact SG-NH1 3.3Å; C864-R870 VanDerWaalsContact SG-NH1 3.43Å; R865-R870 HydrophobicContact CB-CG 3.91Å; R865-R870 WeakPolarHBondContact O-CD 3.47Å; R865-R870 PolarHBondContact O-NE 2.74Å; D866-R870 PolarHBondContact O-N 3.47Å; K867-R870 PolarHBondContact O-N 3.48Å; R870-R872 PolarHBondContact O-N 3.13Å; R870-T873 PolarHBondContact O-N 2.66Å; R870-R874 PolarHBondContact O-N 2.79Å
871M93Very high82.4Confident37 Ų3764.7 Ų64.718%0.18235%0.348CS..Hα-helixtrans-62.7-42176.6-68.7-57.3131.300112.1E302 A305 K867 S868 I869 R874 V875E302-M871 HydrophobicContact CG-SD 4.19Å; A305-M871 HydrophobicContact CB-CB 3.7Å; K867-M871 HydrophobicContact CG-CE 4.45Å; K867-M871 VanDerWaalsContact O-CG 3.28Å; K867-M871 WeakPolarHBondContact O-CG 3.24Å; K867-M871 PolarHBondContact O-N 3.13Å; S868-M871 PolarHBondContact O-N 2.99Å; I869-M871 VanDerWaalsContact C-N 3.34Å; I869-M871 PolarHBondContact O-N 3.46Å; M871-R874 WeakPolarHBondContact O-CB 3.49Å; M871-R874 PolarHBondContact O-N 2.76Å; M871-V875 WeakPolarHBondContact O-CG2 3.45Å; M871-V875 PolarHBondContact O-N 3.46Å
872R92.4Very high82.1Confident81 Ų8162.5 Ų62.531%0.30632%0.322SS..Hα-helixtrans-65.8-40.1173.8-72.5-175.4-69.1128.3-9.4112.7A305 S868 I869 R870 R874 V875 A876A305-R872 HydrophobicContact CB-CG 3.91Å; A305-R872 WeakPolarHBondContact O-CD 3.19Å; S868-R872 WeakPolarHBondContact O-CG 3.37Å; S868-R872 PolarHBondContact O-N 3.26Å; I869-R872 PolarHBondContact O-N 2.9Å; R870-R872 PolarHBondContact O-N 3.13Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R872-R874 PolarHBondContact O-N 3.28Å; R872-V875 PolarHBondContact O-N 2.86Å; R872-A876 WeakPolarHBondContact O-CB 3.22Å; R872-A876 PolarHBondContact O-N 3.32Å
873T91.2Very high81.7Confident16 Ų1657.7 Ų57.710%0.09830%0.296CS..Hα-helixtrans-59.6-41.3173.6-64.80000110.8N273 Q274 I277 R865 I869 R870 A876 G877N273-T873 HydrophobicContact CB-CG2 3.92Å; Q274-T873 HydrophobicContact CG-CG2 3.76Å; I277-T873 HydrophobicContact CD1-CG2 3.83Å; I277-T873 WeakPolarHBondContact CD1-O 3.32Å; R865-T873 PolarHBondContact NH1-OG1 2.95Å; R865-T873 PolarHBondContact NH2-OG1 2.6Å; R865-T873 VanDerWaalsContact NH2-OG1 3.13Å; I869-T873 PolarHBondContact O-N 2.98Å; I869-T873 PolarHBondContact O-OG1 3.39Å; R870-T873 PolarHBondContact O-N 2.66Å; T873-A876 PolarHBondContact O-N 2.6Å; T873-G877 PolarHBondContact O-N 2.99Å
874R89.8Confident80.9Confident98 Ų9854.7 Ų54.737%0.3727%0.273SS..Hα-helixtrans-62.6-45.6174-175.8175.117093.4-2.6112.8E302 R870 M871 R872 A876 G877 K878E302-R874 WeakPolarHBondContact OE1-CD 3.2Å; E302-R874 IonicContact OE1-CZ 2.66Å; E302-R874 IonicContact OE1-NE 3.08Å; E302-R874 PolarHBondContact OE1-NE 2.81Å; R870-R874 PolarHBondContact O-N 2.79Å; M871-R874 WeakPolarHBondContact O-CB 3.49Å; M871-R874 PolarHBondContact O-N 2.76Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R872-R874 PolarHBondContact O-N 3.28Å; R874-A876 VanDerWaalsContact C-N 3.35Å; R874-A876 PolarHBondContact O-N 2.88Å; R874-G877 PolarHBondContact O-N 3.04Å; R874-K878 WeakPolarHBondContact O-CG 3.09Å; R874-K878 PolarHBondContact O-N 2.85Å
875V87.5Confident79.7Confident6 Ų655.5 Ų55.54%0.03627%0.269CS..Hα-helixtrans-61.1-43.2175.6172.70000111.3F290 I293 E302 V306 M871 R872 K878 T879F290-V875 HydrophobicContact CD2-CG1 4.38Å; F290-V875 HydrophobicContact CE2-CG1 4.11Å; I293-V875 HydrophobicContact CG2-CG1 4.09Å; E302-V875 HydrophobicContact CB-CG2 3.74Å; E302-V875 HydrophobicContact CG-CG2 4Å; V306-V875 HydrophobicContact CG2-CB 4.38Å; V306-V875 HydrophobicContact CG2-CG1 4.14Å; V306-V875 HydrophobicContact CG2-CG2 4.11Å; M871-V875 WeakPolarHBondContact O-CG2 3.45Å; M871-V875 PolarHBondContact O-N 3.46Å; R872-V875 PolarHBondContact O-N 2.86Å; V875-K878 PolarHBondContact O-N 3.35Å; V875-T879 VanDerWaalsContact O-CB 3.32Å; V875-T879 WeakPolarHBondContact O-CB 3.24Å; V875-T879 PolarHBondContact O-N 3.11Å; V875-T879 PolarHBondContact O-OG1 2.89Å
876A87.2Confident77.6Confident42 Ų4254.3 Ų54.335%0.34727%0.272SS..Hα-helixtrans-63.5-42.3177.100000111.9I277 R872 T873 R874 T879 K880I277-A876 HydrophobicContact CD1-CB 3.89Å; R872-A876 WeakPolarHBondContact O-CB 3.22Å; R872-A876 PolarHBondContact O-N 3.32Å; T873-A876 PolarHBondContact O-N 2.6Å; R874-A876 VanDerWaalsContact C-N 3.35Å; R874-A876 PolarHBondContact O-N 2.88Å; A876-T879 PolarHBondContact O-N 3.38Å; A876-K880 PolarHBondContact O-N 2.96Å
877G82.5Confident74.9Confident0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-60.9-49.6175.100000112.2T873 R874 T879 K880 L881T873-G877 PolarHBondContact O-N 2.99Å; R874-G877 PolarHBondContact O-N 3.04Å; G877-T879 VanDerWaalsContact C-N 3.34Å; G877-T879 PolarHBondContact O-N 3.27Å; G877-K880 PolarHBondContact O-N 2.77Å; G877-L881 WeakPolarHBondContact O-CB 3.29Å; G877-L881 WeakPolarHBondContact O-CG 3.28Å; G877-L881 PolarHBondContact O-N 3.39Å
878K79Confident72.1Confident54 Ų5451.3 Ų51.324%0.23527%0.268CS..Hα-helixtrans-57-45.2174.1-74.2177172.4-178.50112.1I293 E302 R874 V875 L881 L882I293-K878 HydrophobicContact CD1-CB 3.89Å; I293-K878 HydrophobicContact CG1-CB 4.1Å; I293-K878 HydrophobicContact CG2-CB 4.11Å; I293-K878 HydrophobicContact CG2-CD 4.15Å; E302-K878 IonicContact OE1-NZ 3.12Å; E302-K878 PolarHBondContact OE1-NZ 2.69Å; E302-K878 IonicContact OE2-NZ 3.51Å; E302-K878 PolarHBondContact OE2-NZ 2.96Å; R874-K878 WeakPolarHBondContact O-CG 3.09Å; R874-K878 PolarHBondContact O-N 2.85Å; V875-K878 PolarHBondContact O-N 3.35Å; K878-L881 PolarHBondContact O-N 2.71Å; K878-L882 WeakPolarHBondContact O-CB 3.22Å; K878-L882 PolarHBondContact O-N 3.5Å
879T76.1Confident71.1Confident4 Ų452.2 Ų52.23%0.02527%0.27CS..Hα-helixtrans-63.3-47.3-179.6-60.80000111.5A289 F290 V875 A876 G877 L882 A883A289-T879 HydrophobicContact CB-CG2 4.34Å; F290-T879 HydrophobicContact CB-CG2 3.8Å; F290-T879 HydrophobicContact CD2-CG2 4.42Å; V875-T879 VanDerWaalsContact O-CB 3.32Å; V875-T879 WeakPolarHBondContact O-CB 3.24Å; V875-T879 PolarHBondContact O-N 3.11Å; V875-T879 PolarHBondContact O-OG1 2.89Å; A876-T879 PolarHBondContact O-N 3.38Å; G877-T879 VanDerWaalsContact C-N 3.34Å; G877-T879 PolarHBondContact O-N 3.27Å; T879-L882 PolarHBondContact O-N 2.71Å; T879-A883 WeakPolarHBondContact O-CB 3.38Å; T879-A883 PolarHBondContact O-N 3.2Å
880K74Confident70.1Confident22 Ų2252 Ų5210%0.09627%0.269CS..Hα-helixtrans-62.6-44.9176.8-82.6-166.9169.5-97.70111.4I277 I280 R281 S283 A876 G877 L882 A883 I884I277-K880 HydrophobicContact CG2-CD 4.2Å; I280-K880 PolarHBondContact O-NZ 3.31Å; R281-K880 PolarHBondContact O-NZ 3.48Å; S283-K880 PolarHBondContact O-NZ 2.86Å; A876-K880 PolarHBondContact O-N 2.96Å; G877-K880 PolarHBondContact O-N 2.77Å; K880-L882 PolarHBondContact O-N 2.75Å; K880-A883 PolarHBondContact O-N 3.15Å; K880-I884 WeakPolarHBondContact O-CD1 2.76Å; K880-I884 WeakPolarHBondContact O-CG1 3.16Å; K880-I884 PolarHBondContact O-N 3.36Å
881L67.4Low68.9Low84 Ų8450.2 Ų50.244%0.4427%0.266SS..Hα-helixtrans-58.1-48176.3-76.7172.2000111.9V276 I280 G877 K878 A883 I884 M885V276-L881 HydrophobicContact CG1-CD1 3.87Å; V276-L881 HydrophobicContact CG1-CD2 3.88Å; V276-L881 HydrophobicContact CG1-CG 3.72Å; I280-L881 HydrophobicContact CD1-CD2 3.76Å; I280-L881 HydrophobicContact CD1-CG 4.48Å; G877-L881 WeakPolarHBondContact O-CB 3.29Å; G877-L881 WeakPolarHBondContact O-CG 3.28Å; G877-L881 PolarHBondContact O-N 3.39Å; K878-L881 PolarHBondContact O-N 2.71Å; L881-A883 VanDerWaalsContact C-N 3.32Å; L881-A883 PolarHBondContact O-N 2.81Å; L881-I884 PolarHBondContact O-N 3.36Å; L881-M885 WeakPolarHBondContact O-CG 3.47Å; L881-M885 PolarHBondContact O-N 2.71Å; L881-M885 VanDerWaalsContact O-N 3.1Å
882L60.8Low67.5Low55 Ų5550.9 Ų50.929%0.28827%0.271SS..Hα-helixtrans-63.2-37.3178.3-174.462.5000112.2A289 N292 I293 K878 T879 K880 I884 M885A289-L882 HydrophobicContact CB-CB 4.28Å; A289-L882 HydrophobicContact CB-CD2 4.04Å; A289-L882 HydrophobicContact CB-CG 4.11Å; N292-L882 HydrophobicContact CB-CD2 4.15Å; I293-L882 HydrophobicContact CD1-CB 4.5Å; I293-L882 HydrophobicContact CD1-CD2 3.85Å; I293-L882 HydrophobicContact CG1-CD2 4.04Å; K878-L882 WeakPolarHBondContact O-CB 3.22Å; K878-L882 PolarHBondContact O-N 3.5Å; T879-L882 PolarHBondContact O-N 2.71Å; K880-L882 PolarHBondContact O-N 2.75Å; L882-I884 VanDerWaalsContact C-N 3.27Å; L882-I884 PolarHBondContact O-N 3.31Å; L882-M885 HydrophobicContact CD1-CE 3.71Å; L882-M885 WeakPolarHBondContact O-CB 3.34Å; L882-M885 PolarHBondContact O-N 2.79Å
883A59Low65.9Low25 Ų2549.1 Ų49.121%0.20727%0.269CS..Hα-helixtrans-67.1-25.9177.900000113.7N286 A289 T879 K880 L881N286-A883 HydrophobicContact CB-CB 4.37Å; A289-A883 HydrophobicContact CB-CB 4.24Å; T879-A883 WeakPolarHBondContact O-CB 3.38Å; T879-A883 PolarHBondContact O-N 3.2Å; K880-A883 PolarHBondContact O-N 3.15Å; L881-A883 VanDerWaalsContact C-N 3.32Å; L881-A883 PolarHBondContact O-N 2.81Å
884I54Low64.2Low42 Ų4251.3 Ų51.322%0.21528%0.28CS..Hα-helixtrans-86-27.3176.4-54.7148.2000111I280 K880 L881 L882I280-I884 HydrophobicContact CB-CD1 3.83Å; I280-I884 HydrophobicContact CD1-CD1 3.19Å; I280-I884 HydrophobicContact CG1-CD1 3.75Å; I280-I884 HydrophobicContact CG2-CD1 3.12Å; I280-I884 HydrophobicContact CG2-CG1 3.69Å; K880-I884 WeakPolarHBondContact O-CD1 2.76Å; K880-I884 WeakPolarHBondContact O-CG1 3.16Å; K880-I884 PolarHBondContact O-N 3.36Å; L881-I884 PolarHBondContact O-N 3.36Å; L882-I884 VanDerWaalsContact C-N 3.27Å; L882-I884 PolarHBondContact O-N 3.31Å
885M46.8Very low62.4Low111 Ų11147.9 Ų47.955%0.54727%0.274SS..SBendtrans-56.9146.2174.6-67.9-140.1-67.800109.4L881 L882 G887L881-M885 WeakPolarHBondContact O-CG 3.47Å; L881-M885 PolarHBondContact O-N 2.71Å; L881-M885 VanDerWaalsContact O-N 3.1Å; L882-M885 HydrophobicContact CD1-CE 3.71Å; L882-M885 WeakPolarHBondContact O-CB 3.34Å; L882-M885 PolarHBondContact O-N 2.79Å; M885-G887 PolarHBondContact O-N 3.01Å
886P38.4Very low60.5Low57 Ų5751.2 Ų51.237%0.3729%0.292SS..  trans-49.7112.6174.7-22.631.6000109.4R708R708-P886 HydrophobicContact CB-CB 4.34Å; R708-P886 HydrophobicContact CB-CG 4.24Å; R708-P886 HydrophobicContact CG-CB 3.53Å; R708-P886 HydrophobicContact CG-CG 3.83Å
887G31.7Very low58.2Low42 Ų4251.9 Ų51.943%0.43329%0.287SS..  trans-64.4147.5173.300000109.8M885M885-G887 PolarHBondContact O-N 3.01Å
888E29.1Very low56Low127 Ų12756.6 Ų56.659%0.59331%0.313SS*.  trans-56.60178.6-66.2-171.2131.900114.3N381 R712N381-E888 WeakPolarHBondContact ND2-CG 3.31Å; R712-E888 VanDerWaalsContact CZ-O 3.26Å; R712-E888 PolarHBondContact NE-OXT 3.14Å; R712-E888 PolarHBondContact NH2-O 3.26Å; R712-E888 PolarHBondContact NH2-OXT 3.36Å

Retrieved 888 of 888 residues in 1114.3 ms (Link to these results)

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