A0A5K4EZL9_SCHMA Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.3Low82.5Confident90 Ų9061 Ų6144%0.44335%0.349SS..  0-70.70-66.1-168.5171.200112.7S3 Y36 Q39M1-S3 PolarHBondContact O-N 3.49Å; M1-Y36 HydrophobicContact CE-CD1 4.47Å; M1-Y36 HydrophobicContact CE-CD2 3.36Å; M1-Y36 HydrophobicContact CE-CE1 4.4Å; M1-Y36 HydrophobicContact CE-CE2 3.26Å; M1-Y36 HydrophobicContact CE-CG 3.98Å; M1-Y36 HydrophobicContact SD-CE2 4.21Å; M1-Q39 HydrophobicContact CE-CB 3.47Å; M1-Q39 VanDerWaalsContact CE-CB 3.47Å; M1-Q39 HydrophobicContact SD-CB 4.13Å
2S65Low83Confident105 Ų10556.2 Ų56.273%0.73432%0.321SS*.Hα-helixtrans-54.6-42.1-171-171.70000115.7S6S2-S6 WeakPolarHBondContact O-CB 3.13Å; S2-S6 PolarHBondContact O-N 2.93Å
3S79.9Confident83.4Confident89 Ų8962.3 Ų62.362%0.62234%0.336SS*.Hα-helixtrans-61-49.9-174.947.10000114M1 W5 S6 C7M1-S3 PolarHBondContact O-N 3.49Å; S3-W5 PolarHBondContact O-N 2.64Å; S3-S6 PolarHBondContact O-N 3.37Å; S3-C7 PolarHBondContact O-N 2.92Å
4T86.6Confident83.6Confident18 Ų1869.1 Ų69.111%0.1136%0.361CS..Hα-helixtrans-61.6-46.5-176.5-37.40000111.5S6 C7 F8 K45 F48T4-S6 PolarHBondContact O-N 3.08Å; T4-C7 PolarHBondContact O-N 3.47Å; T4-F8 WeakPolarHBondContact O-CB 3.37Å; T4-F8 PolarHBondContact O-N 3.47Å; T4-K45 HydrophobicContact CG2-CB 3.77Å; T4-K45 HydrophobicContact CG2-CG 4.03Å; T4-F48 HydrophobicContact CG2-CD2 4.02Å; T4-F48 HydrophobicContact CG2-CE2 4.32Å
5W88.6Confident83.7Confident28 Ų2870.7 Ų70.711%0.10636%0.361CS..Hα-helixtrans-64.7-39.2177.1-175.3-93.6000112.6S3 C7 F8 T9 L27 R28 F31 F48 F73S3-W5 PolarHBondContact O-N 2.64Å; W5-C7 VanDerWaalsContact C-N 3.34Å; W5-F8 HydrophobicContact CE3-CD1 4.16Å; W5-F8 HydrophobicContact CH2-CD1 4.19Å; W5-F8 HydrophobicContact CH2-CE1 4.19Å; W5-F8 AromaticContact CZ3-CD1 3.89Å; W5-F8 HydrophobicContact CZ3-CD1 3.89Å; W5-F8 HydrophobicContact CZ3-CE1 4.07Å; W5-F8 PolarHBondContact O-N 2.79Å; W5-T9 HydrophobicContact CD2-CG2 4.43Å; W5-T9 HydrophobicContact CZ2-CG2 3.79Å; W5-T9 PolarHBondContact O-N 3.08Å; W5-T9 PolarHBondContact O-OG1 3.34Å; W5-L27 HydrophobicContact CH2-CB 3.98Å; W5-L27 HydrophobicContact CZ2-CB 4.46Å; W5-R28 VanDerWaalsContact CZ2-CA 3.44Å; W5-R28 HydrophobicContact CZ2-CB 3.63Å; W5-R28 HydrophobicContact CZ2-CG 4.27Å; W5-F31 HydrophobicContact CB-CE1 4.4Å; W5-F31 AromaticContact CD2-CD1 4Å; W5-F31 HydrophobicContact CD2-CD1 4Å; W5-F31 HydrophobicContact CD2-CE1 4.48Å; W5-F31 HydrophobicContact CE3-CB 4.04Å; W5-F31 AromaticContact CE3-CD1 3.43Å; W5-F31 HydrophobicContact CE3-CD1 3.43Å; W5-F31 VanDerWaalsContact CE3-CD1 3.43Å; W5-F31 HydrophobicContact CE3-CD2 4.36Å; W5-F31 AromaticContact CE3-CE1 3.92Å; W5-F31 HydrophobicContact CE3-CE1 3.92Å; W5-F31 AromaticContact CE3-CG 3.68Å; W5-F31 HydrophobicContact CE3-CG 3.68Å; W5-F31 HydrophobicContact CH2-CB 4.17Å; W5-F31 HydrophobicContact CZ3-CB 3.66Å; W5-F31 AromaticContact CZ3-CD1 3.97Å; W5-F31 HydrophobicContact CZ3-CD1 3.97Å; W5-F31 HydrophobicContact CZ3-CD2 4.33Å; W5-F31 AromaticContact CZ3-CG 3.72Å; W5-F31 HydrophobicContact CZ3-CG 3.72Å; W5-F48 HydrophobicContact CE3-CE2 4.01Å; W5-F48 AromaticContact CE3-CZ 3.68Å; W5-F48 HydrophobicContact CE3-CZ 3.68Å; W5-F48 HydrophobicContact CZ3-CE1 4.23Å; W5-F48 HydrophobicContact CZ3-CE2 4.49Å; W5-F48 AromaticContact CZ3-CZ 3.79Å; W5-F48 HydrophobicContact CZ3-CZ 3.79Å; W5-F73 HydrophobicContact CH2-CE2 4.43Å; W5-F73 HydrophobicContact CZ3-CE2 4.32Å; W5-F73 HydrophobicContact CZ3-CZ 4Å
6S87.7Confident83.6Confident48 Ų4867.8 Ų67.834%0.33635%0.346SS..Hα-helixtrans-67.1-34.4176.6-172.70000112.5S2 S3 T4 T9 K10S2-S6 WeakPolarHBondContact O-CB 3.13Å; S2-S6 PolarHBondContact O-N 2.93Å; S3-S6 PolarHBondContact O-N 3.37Å; T4-S6 PolarHBondContact O-N 3.08Å; S6-T9 PolarHBondContact O-OG1 3.16Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 VanDerWaalsContact O-CG 3.25Å; S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.25Å
7C87.9Confident83.3Confident71 Ų7167.9 Ų67.948%0.4836%0.355SS..Hα-helixtrans-66.9-49.4172.8-1660000111.1S3 T4 W5 T9 K10 Q11S3-C7 PolarHBondContact O-N 2.92Å; T4-C7 PolarHBondContact O-N 3.47Å; W5-C7 VanDerWaalsContact C-N 3.34Å; C7-T9 PolarHBondContact O-N 3.38Å; C7-K10 PolarHBondContact O-N 3.42Å; C7-Q11 PolarHBondContact O-N 3.45Å
8F91.6Very high82.7Confident4 Ų473.8 Ų73.82%0.01839%0.387CS..Hα-helixtrans-57.4-49.1179.1178.9-123.4000112.8T4 W5 K10 Q11 I12 F48 C51 I52 L69T4-F8 WeakPolarHBondContact O-CB 3.37Å; T4-F8 PolarHBondContact O-N 3.47Å; W5-F8 HydrophobicContact CE3-CD1 4.16Å; W5-F8 HydrophobicContact CH2-CD1 4.19Å; W5-F8 HydrophobicContact CH2-CE1 4.19Å; W5-F8 AromaticContact CZ3-CD1 3.89Å; W5-F8 HydrophobicContact CZ3-CD1 3.89Å; W5-F8 HydrophobicContact CZ3-CE1 4.07Å; W5-F8 PolarHBondContact O-N 2.79Å; F8-K10 VanDerWaalsContact C-N 3.34Å; F8-K10 PolarHBondContact O-N 2.84Å; F8-Q11 PolarHBondContact O-N 3.18Å; F8-I12 HydrophobicContact CD1-CD1 4.29Å; F8-I12 HydrophobicContact CD2-CD1 4.3Å; F8-I12 HydrophobicContact CE1-CD1 3.57Å; F8-I12 HydrophobicContact CE2-CD1 3.59Å; F8-I12 HydrophobicContact CE2-CG1 4.1Å; F8-I12 HydrophobicContact CZ-CD1 3.17Å; F8-I12 HydrophobicContact CZ-CG1 4.17Å; F8-I12 PolarHBondContact O-N 3.22Å; F8-F48 HydrophobicContact CB-CB 4.29Å; F8-F48 HydrophobicContact CB-CD2 3.81Å; F8-F48 HydrophobicContact CB-CE2 4.39Å; F8-F48 HydrophobicContact CB-CG 4.12Å; F8-F48 HydrophobicContact CD1-CD1 4.02Å; F8-F48 HydrophobicContact CD1-CD2 4.17Å; F8-F48 HydrophobicContact CD1-CE1 4.2Å; F8-F48 HydrophobicContact CD1-CE2 4.34Å; F8-F48 HydrophobicContact CD1-CG 4.03Å; F8-F48 HydrophobicContact CD1-CZ 4.36Å; F8-F48 HydrophobicContact CD2-CB 3.52Å; F8-F48 HydrophobicContact CD2-CD1 4.22Å; F8-F48 HydrophobicContact CD2-CD2 4.36Å; F8-F48 AromaticContact CD2-CG 3.8Å; F8-F48 HydrophobicContact CD2-CG 3.8Å; F8-F48 AromaticContact CE1-CD1 3.95Å; F8-F48 HydrophobicContact CE1-CD1 3.95Å; F8-F48 HydrophobicContact CE1-CE1 4.14Å; F8-F48 HydrophobicContact CE1-CG 4.37Å; F8-F48 HydrophobicContact CE2-CB 3.91Å; F8-F48 HydrophobicContact CE2-CD1 4.15Å; F8-F48 HydrophobicContact CE2-CG 4.15Å; F8-F48 HydrophobicContact CG-CB 3.93Å; F8-F48 HydrophobicContact CG-CD1 4.15Å; F8-F48 AromaticContact CG-CD2 3.88Å; F8-F48 HydrophobicContact CG-CD2 3.88Å; F8-F48 HydrophobicContact CG-CE2 4.45Å; F8-F48 AromaticContact CG-CG 3.72Å; F8-F48 HydrophobicContact CG-CG 3.72Å; F8-F48 HydrophobicContact CZ-CD1 4.01Å; F8-F48 HydrophobicContact CZ-CG 4.41Å; F8-C51 HydrophobicContact CE2-CB 4.23Å; F8-I52 HydrophobicContact CD2-CD1 3.95Å; F8-I52 HydrophobicContact CD2-CG1 3.91Å; F8-I52 HydrophobicContact CE2-CD1 3.88Å; F8-I52 HydrophobicContact CE2-CG1 3.98Å; F8-L69 HydrophobicContact CE1-CD2 3.64Å; F8-L69 HydrophobicContact CE2-CD2 4.5Å; F8-L69 HydrophobicContact CZ-CD2 3.34Å
9T90Very high82Confident14 Ų1474.3 Ų74.39%0.08640%0.397CS..Hα-helixtrans-65.5-32.4178450000113.6W5 S6 C7 Q11 R13 V24W5-T9 HydrophobicContact CD2-CG2 4.43Å; W5-T9 HydrophobicContact CZ2-CG2 3.79Å; W5-T9 PolarHBondContact O-N 3.08Å; W5-T9 PolarHBondContact O-OG1 3.34Å; S6-T9 PolarHBondContact O-OG1 3.16Å; C7-T9 PolarHBondContact O-N 3.38Å; T9-Q11 PolarHBondContact O-N 3.49Å; T9-R13 WeakPolarHBondContact O-CG 3.39Å; T9-R13 PolarHBondContact O-N 3.16Å; T9-R13 VanDerWaalsContact O-N 3.17Å; T9-V24 HydrophobicContact CG2-CG1 3.73Å
10K89Confident81.9Confident144 Ų14471.7 Ų71.763%0.62638%0.383SS*.Hα-helixtrans-68-20.2170.5-77.1176.3178.6-176.30114S6 C7 F8S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 VanDerWaalsContact O-CG 3.25Å; S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.25Å; C7-K10 PolarHBondContact O-N 3.42Å; F8-K10 VanDerWaalsContact C-N 3.34Å; F8-K10 PolarHBondContact O-N 2.84Å
11Q88.9Confident81.9Confident60 Ų6071.1 Ų71.128%0.2838%0.378SS..Hα-helixtrans-88.8-44174.6-65.2-168.1104.300111.5C7 F8 T9 R13 K14 Y15 I52C7-Q11 PolarHBondContact O-N 3.45Å; F8-Q11 PolarHBondContact O-N 3.18Å; T9-Q11 PolarHBondContact O-N 3.49Å; Q11-R13 PolarHBondContact O-N 3.39Å; Q11-K14 WeakPolarHBondContact O-CB 3.22Å; Q11-K14 PolarHBondContact O-N 3.4Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.49Å; Q11-I52 HydrophobicContact CB-CD1 3.57Å; Q11-I52 HydrophobicContact CB-CG1 4.06Å; Q11-I52 HydrophobicContact CB-CG2 4.48Å
12I88.7Confident83.4Confident3 Ų374 Ų742%0.01539%0.391CS..Hα-helixtrans-59.7-40.7176.4-82.5178.9000112.8F8 K14 Y15 L16 V24 I52 I55 L66F8-I12 HydrophobicContact CD1-CD1 4.29Å; F8-I12 HydrophobicContact CD2-CD1 4.3Å; F8-I12 HydrophobicContact CE1-CD1 3.57Å; F8-I12 HydrophobicContact CE2-CD1 3.59Å; F8-I12 HydrophobicContact CE2-CG1 4.1Å; F8-I12 HydrophobicContact CZ-CD1 3.17Å; F8-I12 HydrophobicContact CZ-CG1 4.17Å; F8-I12 PolarHBondContact O-N 3.22Å; I12-K14 PolarHBondContact O-N 3.32Å; I12-Y15 PolarHBondContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 3.43Å; I12-L16 VanDerWaalsContact CG2-CD1 3.43Å; I12-L16 HydrophobicContact CG2-CG 3.78Å; I12-L16 PolarHBondContact O-N 3.14Å; I12-V24 HydrophobicContact CG2-CG2 4.48Å; I12-I52 HydrophobicContact CG1-CD1 3.75Å; I12-I55 HydrophobicContact CG1-CD1 4.39Å; I12-L66 HydrophobicContact CD1-CD2 3.54Å; I12-L66 HydrophobicContact CG1-CD2 4.48Å
13R88.4Confident84.5Confident136 Ų13671.3 Ų71.351%0.51337%0.368SS..THydrogen-bonded Turntrans-64.93.3178.7-74.2-171.3-169.9145.3-0.7115.2T9 Q11 E21T9-R13 WeakPolarHBondContact O-CG 3.39Å; T9-R13 PolarHBondContact O-N 3.16Å; T9-R13 VanDerWaalsContact O-N 3.17Å; Q11-R13 PolarHBondContact O-N 3.39Å; R13-E21 IonicContact CZ-OE1 2.7Å; R13-E21 IonicContact CZ-OE2 2.7Å; R13-E21 IonicContact NE-OE1 2.67Å; R13-E21 IonicContact NE-OE2 3.59Å; R13-E21 PolarHBondContact NE-OE2 3.26Å; R13-E21 VanDerWaalsContact NH2-CD 3.29Å; R13-E21 IonicContact NH2-OE1 2.77Å; R13-E21 PolarHBondContact NH2-OE1 3.31Å; R13-E21 IonicContact NH2-OE2 3.71Å; R13-E21 PolarHBondContact NH2-OE2 2.95Å
14K86.5Confident84.9Confident157 Ų15767.3 Ų67.368%0.68334%0.34SS*.THydrogen-bonded Turntrans-87.3-12.3167.3-58.8-179.3179.7-1780113.3Q11 I12Q11-K14 WeakPolarHBondContact O-CB 3.22Å; Q11-K14 PolarHBondContact O-N 3.4Å; I12-K14 PolarHBondContact O-N 3.32Å
15Y84.2Confident84.9Confident94 Ų9470.1 Ų70.137%0.36935%0.354SS..THydrogen-bonded Turntrans-127.3-14.4-171.5-55.4-85000113.8Q11 I12 I55Q11-Y15 WeakPolarHBondContact O-CD2 3.49Å; I12-Y15 PolarHBondContact O-N 3.15Å; Y15-I55 HydrophobicContact CD1-CG2 4Å; Y15-I55 HydrophobicContact CD2-CG2 3.88Å; Y15-I55 HydrophobicContact CE1-CG2 4.44Å; Y15-I55 HydrophobicContact CE2-CG2 4.33Å; Y15-I55 HydrophobicContact CG-CG2 3.7Å
16L82.8Confident85Confident23 Ų2373 Ų7312%0.1237%0.37CS..SBendtrans-87.9154.8170-75-179.8000111.2I12 D20 V24 I62 Y63 L66I12-L16 HydrophobicContact CG2-CD1 3.43Å; I12-L16 VanDerWaalsContact CG2-CD1 3.43Å; I12-L16 HydrophobicContact CG2-CG 3.78Å; I12-L16 PolarHBondContact O-N 3.14Å; L16-D20 HydrophobicContact CB-CB 4.19Å; L16-D20 HydrophobicContact CD1-CB 4.31Å; L16-D20 HydrophobicContact CD2-CB 3.94Å; L16-D20 HydrophobicContact CG-CB 4.38Å; L16-V24 HydrophobicContact CD1-CG2 3.56Å; L16-I62 HydrophobicContact CD2-CD1 3.78Å; L16-I62 HydrophobicContact CD2-CG1 4.39Å; L16-I62 HydrophobicContact CG-CD1 4.08Å; L16-Y63 HydrophobicContact CD2-CE1 4.11Å; L16-L66 HydrophobicContact CD2-CD1 4.11Å
17S77.9Confident85.1Confident71 Ų7171 Ų7150%0.49736%0.356SS..  trans-80.7157.3167.9-53.40000110.6S19 D20S17-S19 WeakPolarHBondContact CB-OG 3.47Å; S17-S19 PolarHBondContact O-N 3.39Å; S17-S19 VanDerWaalsContact O-N 3.09Å; S17-D20 WeakPolarHBondContact CA-OD2 3.31Å; S17-D20 VanDerWaalsContact CB-OD2 3.28Å; S17-D20 WeakPolarHBondContact CB-OD2 3.48Å; S17-D20 PolarHBondContact N-OD2 3.03Å; S17-D20 WeakPolarHBondContact O-CB 3.5Å; S17-D20 PolarHBondContact O-N 3.01Å
18D72.4Confident85.3Confident173 Ų17373.9 Ų73.993%0.92536%0.357SS*.G310 helixtrans-60.7-20.8179.3-71.4-45.9000113.6D20D18-D20 PolarHBondContact O-N 3.18Å
19S69.1Low85.2Confident84 Ų8480.6 Ų80.659%0.58739%0.386SS*.G310 helixtrans-63.6-25.6170.843.70000114.1S17S17-S19 WeakPolarHBondContact CB-OG 3.47Å; S17-S19 PolarHBondContact O-N 3.39Å; S17-S19 VanDerWaalsContact O-N 3.09Å
20D80.1Confident85.3Confident21 Ų2183.8 Ų83.811%0.11240%0.398CS..G310 helixtrans-98.75.7-157.8-46.1-25.9000112.9L16 S17 D18 Q22 I23 Y63L16-D20 HydrophobicContact CB-CB 4.19Å; L16-D20 HydrophobicContact CD1-CB 4.31Å; L16-D20 HydrophobicContact CD2-CB 3.94Å; L16-D20 HydrophobicContact CG-CB 4.38Å; S17-D20 WeakPolarHBondContact CA-OD2 3.31Å; S17-D20 VanDerWaalsContact CB-OD2 3.28Å; S17-D20 WeakPolarHBondContact CB-OD2 3.48Å; S17-D20 PolarHBondContact N-OD2 3.03Å; S17-D20 WeakPolarHBondContact O-CB 3.5Å; S17-D20 PolarHBondContact O-N 3.01Å; D18-D20 PolarHBondContact O-N 3.18Å; D20-Q22 PolarHBondContact O-N 3.4Å; D20-I23 HydrophobicContact CB-CD1 4.11Å; D20-I23 HydrophobicContact CB-CG1 4.45Å; D20-I23 WeakPolarHBondContact O-CA 3.43Å; D20-I23 VanDerWaalsContact O-CB 3.28Å; D20-I23 WeakPolarHBondContact O-CB 3.19Å; D20-I23 WeakPolarHBondContact O-CG1 3.33Å; D20-I23 PolarHBondContact O-N 3.27Å; D20-Y63 PolarHBondContact OD2-OH 2.7Å
21E82.4Confident85.5Confident60 Ų6077.3 Ų77.328%0.2837%0.37SS..Hα-helixtrans-59.8-16.6178.3-177.161.6-16000112.3R13 I23 V24 N25R13-E21 IonicContact CZ-OE1 2.7Å; R13-E21 IonicContact CZ-OE2 2.7Å; R13-E21 IonicContact NE-OE1 2.67Å; R13-E21 IonicContact NE-OE2 3.59Å; R13-E21 PolarHBondContact NE-OE2 3.26Å; R13-E21 VanDerWaalsContact NH2-CD 3.29Å; R13-E21 IonicContact NH2-OE1 2.77Å; R13-E21 PolarHBondContact NH2-OE1 3.31Å; R13-E21 IonicContact NH2-OE2 3.71Å; R13-E21 PolarHBondContact NH2-OE2 2.95Å; E21-I23 VanDerWaalsContact C-N 3.34Å; E21-V24 PolarHBondContact O-N 3.39Å; E21-N25 PolarHBondContact O-N 3.45Å; E21-N25 VanDerWaalsContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.43Å
22Q84.7Confident85.5Confident150 Ų15079.4 Ų79.470%0.70138%0.383SS*.Hα-helixtrans-60-41.1166.5-60-167.250.100112.2D20 V24 N25 I26D20-Q22 PolarHBondContact O-N 3.4Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 2.92Å; Q22-N25 PolarHBondContact O-N 3.37Å; Q22-I26 WeakPolarHBondContact O-CG1 3.48Å; Q22-I26 PolarHBondContact O-N 3.03Å
23I87.5Confident85.6Confident49 Ų4983.4 Ų83.425%0.25140%0.402SS..Hα-helixtrans-63.4-42.9177.4-53.2-178.3000110D20 E21 N25 I26 L27 Y63 L66D20-I23 HydrophobicContact CB-CD1 4.11Å; D20-I23 HydrophobicContact CB-CG1 4.45Å; D20-I23 WeakPolarHBondContact O-CA 3.43Å; D20-I23 VanDerWaalsContact O-CB 3.28Å; D20-I23 WeakPolarHBondContact O-CB 3.19Å; D20-I23 WeakPolarHBondContact O-CG1 3.33Å; D20-I23 PolarHBondContact O-N 3.27Å; E21-I23 VanDerWaalsContact C-N 3.34Å; I23-N25 VanDerWaalsContact C-N 3.28Å; I23-N25 PolarHBondContact O-N 3.12Å; I23-I26 PolarHBondContact O-N 2.91Å; I23-L27 HydrophobicContact CG2-CD1 4.02Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.08Å; I23-Y63 HydrophobicContact CD1-CD1 3.87Å; I23-Y63 HydrophobicContact CD1-CE1 3.67Å; I23-L66 HydrophobicContact CG2-CD1 4.15Å
24V87.9Confident85.6Confident6 Ų677.2 Ų77.24%0.03638%0.379CS..Hα-helixtrans-58.5-41.1175.1179.10000111.1T9 I12 L16 E21 Q22 R28T9-V24 HydrophobicContact CG2-CG1 3.73Å; I12-V24 HydrophobicContact CG2-CG2 4.48Å; L16-V24 HydrophobicContact CD1-CG2 3.56Å; E21-V24 PolarHBondContact O-N 3.39Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 2.92Å; V24-R28 VanDerWaalsContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CB 3.44Å; V24-R28 PolarHBondContact O-N 2.88Å
25N87.4Confident85.8Confident77 Ų7772.5 Ų72.541%0.41236%0.363SS..Hα-helixtrans-71.6-37.3177.2-75.8-66.9000113.3E21 Q22 I23 R28 K29E21-N25 PolarHBondContact O-N 3.45Å; E21-N25 VanDerWaalsContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.43Å; Q22-N25 PolarHBondContact O-N 3.37Å; I23-N25 VanDerWaalsContact C-N 3.28Å; I23-N25 PolarHBondContact O-N 3.12Å; N25-R28 PolarHBondContact O-N 3.21Å; N25-K29 WeakPolarHBondContact O-CB 3.41Å; N25-K29 PolarHBondContact O-N 2.95Å
26I89.5Confident86Confident88 Ų8875.8 Ų75.845%0.45138%0.376SS..Hα-helixtrans-63.2-49173.1-69.5163.1000110.5Q22 I23 R28 K29 K30Q22-I26 WeakPolarHBondContact O-CG1 3.48Å; Q22-I26 PolarHBondContact O-N 3.03Å; I23-I26 PolarHBondContact O-N 2.91Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.38Å; I26-K29 PolarHBondContact O-N 3.31Å; I26-K30 WeakPolarHBondContact O-CG 3.46Å; I26-K30 PolarHBondContact O-N 3.11Å
27L91.2Very high86.3Confident6 Ų679.6 Ų79.63%0.03139%0.394CS..Hα-helixtrans-61.4-41177.2-70.5171.4000111.5W5 I23 K30 F31 L66 K70 F73W5-L27 HydrophobicContact CH2-CB 3.98Å; W5-L27 HydrophobicContact CZ2-CB 4.46Å; I23-L27 HydrophobicContact CG2-CD1 4.02Å; I23-L27 HydrophobicContact CG2-CG 4.35Å; I23-L27 WeakPolarHBondContact O-CB 3.45Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.08Å; L27-K30 PolarHBondContact O-N 3.38Å; L27-F31 WeakPolarHBondContact O-CB 3.24Å; L27-F31 PolarHBondContact O-N 3.08Å; L27-L66 HydrophobicContact CD1-CB 4.31Å; L27-L66 HydrophobicContact CD1-CD1 4.35Å; L27-L66 HydrophobicContact CD1-CD2 3.96Å; L27-L66 HydrophobicContact CD1-CG 4.42Å; L27-K70 HydrophobicContact CD2-CB 3.91Å; L27-F73 HydrophobicContact CB-CE2 4.41Å; L27-F73 HydrophobicContact CD2-CE2 4.16Å
28R91.4Very high86.9Confident131 Ų13176.4 Ų76.449%0.49437%0.371SS..Hα-helixtrans-61.4-44.1173.8-174.9-179.6179.8-169.4-0.5112.1W5 V24 N25 I26 K30 F31 L32W5-R28 VanDerWaalsContact CZ2-CA 3.44Å; W5-R28 HydrophobicContact CZ2-CB 3.63Å; W5-R28 HydrophobicContact CZ2-CG 4.27Å; V24-R28 VanDerWaalsContact O-CB 3.28Å; V24-R28 WeakPolarHBondContact O-CB 3.44Å; V24-R28 PolarHBondContact O-N 2.88Å; N25-R28 PolarHBondContact O-N 3.21Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.38Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 2.91Å; R28-F31 PolarHBondContact O-N 3.34Å; R28-L32 HydrophobicContact CG-CD1 4.18Å; R28-L32 WeakPolarHBondContact O-CB 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.39Å; R28-L32 PolarHBondContact O-N 3.27Å
29K90.4Very high87.7Confident145 Ų14569.1 Ų69.163%0.6333%0.331SS*.Hα-helixtrans-63.5-37.8177.6-172.3178.3-178.3-178.50111.6N25 I26 Q33N25-K29 WeakPolarHBondContact O-CB 3.41Å; N25-K29 PolarHBondContact O-N 2.95Å; I26-K29 PolarHBondContact O-N 3.31Å; K29-Q33 WeakPolarHBondContact O-CG 3.25Å; K29-Q33 PolarHBondContact O-N 3.44Å
30K91.3Very high88.6Confident81 Ų8168.2 Ų68.235%0.35232%0.317SS..Hα-helixtrans-72.7-43.1175-70.5-69.1-179.7-176.50112.7I26 L27 R28 L32 Q33 T34 F73I26-K30 WeakPolarHBondContact O-CG 3.46Å; I26-K30 PolarHBondContact O-N 3.11Å; L27-K30 PolarHBondContact O-N 3.38Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 2.91Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.12Å; K30-Q33 WeakPolarHBondContact O-CB 3.44Å; K30-Q33 PolarHBondContact O-N 3.04Å; K30-T34 PolarHBondContact O-N 2.98Å; K30-F73 HydrophobicContact CB-CB 4.2Å; K30-F73 HydrophobicContact CB-CD2 3.84Å
31F92.2Very high88.9Confident8 Ų869.1 Ų69.14%0.03533%0.327CS..Hα-helixtrans-58.6-43.8175.8179.5-114.6000111.7W5 L27 R28 Q33 T34 F38 Q39 F48 F73W5-F31 HydrophobicContact CB-CE1 4.4Å; W5-F31 AromaticContact CD2-CD1 4Å; W5-F31 HydrophobicContact CD2-CD1 4Å; W5-F31 HydrophobicContact CD2-CE1 4.48Å; W5-F31 HydrophobicContact CE3-CB 4.04Å; W5-F31 AromaticContact CE3-CD1 3.43Å; W5-F31 HydrophobicContact CE3-CD1 3.43Å; W5-F31 VanDerWaalsContact CE3-CD1 3.43Å; W5-F31 HydrophobicContact CE3-CD2 4.36Å; W5-F31 AromaticContact CE3-CE1 3.92Å; W5-F31 HydrophobicContact CE3-CE1 3.92Å; W5-F31 AromaticContact CE3-CG 3.68Å; W5-F31 HydrophobicContact CE3-CG 3.68Å; W5-F31 HydrophobicContact CH2-CB 4.17Å; W5-F31 HydrophobicContact CZ3-CB 3.66Å; W5-F31 AromaticContact CZ3-CD1 3.97Å; W5-F31 HydrophobicContact CZ3-CD1 3.97Å; W5-F31 HydrophobicContact CZ3-CD2 4.33Å; W5-F31 AromaticContact CZ3-CG 3.72Å; W5-F31 HydrophobicContact CZ3-CG 3.72Å; L27-F31 WeakPolarHBondContact O-CB 3.24Å; L27-F31 PolarHBondContact O-N 3.08Å; R28-F31 PolarHBondContact O-N 3.34Å; F31-Q33 PolarHBondContact O-N 2.75Å; F31-T34 WeakPolarHBondContact O-CB 3.45Å; F31-T34 PolarHBondContact O-N 2.81Å; F31-T34 PolarHBondContact O-OG1 2.9Å; F31-F38 HydrophobicContact CD2-CD1 4.3Å; F31-F38 HydrophobicContact CD2-CE1 4.08Å; F31-F38 HydrophobicContact CE2-CD1 4Å; F31-F38 AromaticContact CE2-CE1 3.97Å; F31-F38 HydrophobicContact CE2-CE1 3.97Å; F31-Q39 HydrophobicContact CE1-CG 4.31Å; F31-Q39 HydrophobicContact CE2-CG 4.13Å; F31-Q39 HydrophobicContact CZ-CB 4.08Å; F31-Q39 HydrophobicContact CZ-CG 3.97Å; F31-Q39 PolarHBondContact O-NE2 3.49Å; F31-F48 AromaticContact CD2-CZ 3.91Å; F31-F48 HydrophobicContact CD2-CZ 3.91Å; F31-F48 HydrophobicContact CE2-CE2 4.4Å; F31-F48 AromaticContact CE2-CZ 3.66Å; F31-F48 HydrophobicContact CE2-CZ 3.66Å; F31-F48 HydrophobicContact CG-CZ 4.49Å; F31-F48 HydrophobicContact CZ-CE2 4.36Å; F31-F48 HydrophobicContact CZ-CZ 4.03Å; F31-F73 HydrophobicContact CB-CD2 4.27Å; F31-F73 HydrophobicContact CB-CE1 4.47Å; F31-F73 HydrophobicContact CB-CE2 3.91Å; F31-F73 HydrophobicContact CB-CZ 4.02Å; F31-F73 HydrophobicContact CD2-CD1 4.32Å; F31-F73 AromaticContact CD2-CE1 3.83Å; F31-F73 HydrophobicContact CD2-CE1 3.83Å; F31-F73 HydrophobicContact CD2-CZ 4.04Å; F31-F73 HydrophobicContact CG-CZ 4.4Å
32L90.4Very high89.1Confident104 Ų10473.5 Ų73.555%0.54535%0.347SS..THydrogen-bonded Turntrans-67.3-11.8176-68.9170.7000114.4R28 K30 Q39R28-L32 HydrophobicContact CG-CD1 4.18Å; R28-L32 WeakPolarHBondContact O-CB 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.39Å; R28-L32 PolarHBondContact O-N 3.27Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.12Å; L32-Q39 PolarHBondContact O-NE2 3.26Å
33Q89.5Confident89.4Confident87 Ų8769.4 Ų69.441%0.40733%0.332SS..THydrogen-bonded Turntrans-90.8-11.1172.6-72.3172.9-13.300113.1K29 K30 F31 T77 P78K29-Q33 WeakPolarHBondContact O-CG 3.25Å; K29-Q33 PolarHBondContact O-N 3.44Å; K30-Q33 WeakPolarHBondContact O-CB 3.44Å; K30-Q33 PolarHBondContact O-N 3.04Å; F31-Q33 PolarHBondContact O-N 2.75Å; Q33-T77 HydrophobicContact CB-CG2 4.29Å; Q33-P78 WeakPolarHBondContact O-CD 3.41Å
34T90.2Very high89.6Confident7 Ų767.1 Ų67.14%0.04332%0.321CS..SBendtrans-72161.9176.8650000112.5K30 F31 F38 Q39 F73 H76K30-T34 PolarHBondContact O-N 2.98Å; F31-T34 WeakPolarHBondContact O-CB 3.45Å; F31-T34 PolarHBondContact O-N 2.81Å; F31-T34 PolarHBondContact O-OG1 2.9Å; T34-F38 HydrophobicContact CG2-CD1 3.9Å; T34-F38 HydrophobicContact CG2-CE1 4.23Å; T34-F38 WeakPolarHBondContact OG1-CD1 3.49Å; T34-Q39 PolarHBondContact O-NE2 2.97Å; T34-Q39 VanDerWaalsContact OG1-CG 3.22Å; T34-Q39 WeakPolarHBondContact OG1-CG 3.09Å; T34-F73 HydrophobicContact CG2-CB 3.79Å; T34-F73 HydrophobicContact CG2-CD1 4.18Å; T34-F73 HydrophobicContact CG2-CG 4.21Å; T34-H76 CarbonylContact C-O 3.56Å; T34-H76 VanDerWaalsContact CA-O 3.25Å; T34-H76 WeakPolarHBondContact CA-O 3.44Å; T34-H76 HydrophobicContact CG2-CB 4.08Å
35T90.8Very high89.8Confident57 Ų5772 Ų7235%0.3534%0.341SS..  trans-57.3148.4176.156.70000112.5E37 F38 Q39 H76T35-E37 PolarHBondContact O-N 2.92Å; T35-E37 VanDerWaalsContact O-N 3.15Å; T35-F38 PolarHBondContact O-N 3.22Å; T35-Q39 PolarHBondContact O-N 3.37Å; T35-Q39 VanDerWaalsContact O-N 3.14Å; T35-H76 PolarHBondContact N-O 3.29Å
36Y88.2Confident90Very high163 Ų16372 Ų7264%0.63935%0.346SS*.THydrogen-bonded Turntrans-54.4-35.5178.7-176.7-92.2000112.7M1 Q39 K40M1-Y36 HydrophobicContact CE-CD1 4.47Å; M1-Y36 HydrophobicContact CE-CD2 3.36Å; M1-Y36 HydrophobicContact CE-CE1 4.4Å; M1-Y36 HydrophobicContact CE-CE2 3.26Å; M1-Y36 HydrophobicContact CE-CG 3.98Å; M1-Y36 HydrophobicContact SD-CE2 4.21Å; Y36-Q39 PolarHBondContact O-N 2.77Å; Y36-K40 PolarHBondContact O-N 3.42Å
37E88.1Confident90.1Very high104 Ų10470.2 Ų70.249%0.48634%0.337SS..THydrogen-bonded Turntrans-62.7-45.5175.4-63.8-56.5114.500112.7T35 Q39 K40T35-E37 PolarHBondContact O-N 2.92Å; T35-E37 VanDerWaalsContact O-N 3.15Å; E37-Q39 VanDerWaalsContact C-N 3.28Å; E37-Q39 PolarHBondContact O-N 3.06Å; E37-K40 VanDerWaalsContact O-CB 3.31Å; E37-K40 WeakPolarHBondContact O-CB 3.49Å; E37-K40 WeakPolarHBondContact O-CG 3.09Å; E37-K40 PolarHBondContact O-N 2.99Å; E37-K40 VanDerWaalsContact O-N 3.16Å; E37-K40 WeakPolarHBondContact OE1-CE 3.4Å; E37-K40 IonicContact OE1-NZ 2.79Å; E37-K40 PolarHBondContact OE1-NZ 3.44Å; E37-K40 WeakPolarHBondContact OE2-CE 3.48Å; E37-K40 IonicContact OE2-NZ 2.64Å; E37-K40 PolarHBondContact OE2-NZ 3.06Å
38F90.6Very high90.3Very high3 Ų370 Ų701%0.01334%0.335CS..THydrogen-bonded Turntrans-65.1-33.6175.9-173.9-93.1000112.1F31 T34 T35 K40 V43 S44 I47 T72 F73 H76F31-F38 HydrophobicContact CD2-CD1 4.3Å; F31-F38 HydrophobicContact CD2-CE1 4.08Å; F31-F38 HydrophobicContact CE2-CD1 4Å; F31-F38 AromaticContact CE2-CE1 3.97Å; F31-F38 HydrophobicContact CE2-CE1 3.97Å; T34-F38 HydrophobicContact CG2-CD1 3.9Å; T34-F38 HydrophobicContact CG2-CE1 4.23Å; T34-F38 WeakPolarHBondContact OG1-CD1 3.49Å; T35-F38 PolarHBondContact O-N 3.22Å; F38-K40 PolarHBondContact O-N 3.49Å; F38-V43 HydrophobicContact CD2-CG1 3.94Å; F38-V43 HydrophobicContact CE2-CG1 4.49Å; F38-S44 WeakPolarHBondContact O-CB 3.32Å; F38-I47 HydrophobicContact CD2-CD1 4.45Å; F38-I47 HydrophobicContact CE2-CD1 3.4Å; F38-I47 VanDerWaalsContact CE2-CD1 3.4Å; F38-I47 HydrophobicContact CZ-CD1 3.73Å; F38-T72 HydrophobicContact CE2-CG2 4.28Å; F38-T72 HydrophobicContact CZ-CG2 4.09Å; F38-F73 AromaticContact CE1-CD1 3.63Å; F38-F73 HydrophobicContact CE1-CD1 3.63Å; F38-F73 AromaticContact CE1-CE1 3.76Å; F38-F73 HydrophobicContact CE1-CE1 3.76Å; F38-F73 HydrophobicContact CZ-CD1 4.02Å; F38-F73 HydrophobicContact CZ-CE1 4.16Å; F38-H76 HydrophobicContact CB-CB 4.09Å; F38-H76 HydrophobicContact CD1-CB 4.29Å; F38-H76 HydrophobicContact CD2-CB 3.82Å; F38-H76 AromaticContact CD2-CD2 3.27Å; F38-H76 WeakPolarHBondContact CD2-CD2 3.33Å; F38-H76 AromaticContact CD2-CE1 3.84Å; F38-H76 AromaticContact CD2-CG 3.29Å; F38-H76 AromaticContact CD2-ND1 3.67Å; F38-H76 AromaticContact CD2-NE2 3.63Å; F38-H76 HydrophobicContact CE2-CB 4.28Å; F38-H76 AromaticContact CE2-CD2 3.89Å; F38-H76 AromaticContact CE2-CE1 3.65Å; F38-H76 AromaticContact CE2-CG 3.63Å; F38-H76 AromaticContact CE2-ND1 3.48Å; F38-H76 WeakPolarHBondContact CE2-ND1 3.5Å; F38-H76 AromaticContact CE2-NE2 3.9Å; F38-H76 HydrophobicContact CG-CB 3.8Å; F38-H76 AromaticContact CG-CD2 3.98Å; F38-H76 AromaticContact CG-CG 3.82Å
39Q89.4Confident90.4Very high20 Ų2066.9 Ų66.99%0.09333%0.329CS..THydrogen-bonded Turntrans-73.2-3.3176.7-62.6-172.546.500114.1M1 F31 L32 T34 T35 Y36 E37M1-Q39 HydrophobicContact CE-CB 3.47Å; M1-Q39 VanDerWaalsContact CE-CB 3.47Å; M1-Q39 HydrophobicContact SD-CB 4.13Å; F31-Q39 HydrophobicContact CE1-CG 4.31Å; F31-Q39 HydrophobicContact CE2-CG 4.13Å; F31-Q39 HydrophobicContact CZ-CB 4.08Å; F31-Q39 HydrophobicContact CZ-CG 3.97Å; F31-Q39 PolarHBondContact O-NE2 3.49Å; L32-Q39 PolarHBondContact O-NE2 3.26Å; T34-Q39 PolarHBondContact O-NE2 2.97Å; T34-Q39 VanDerWaalsContact OG1-CG 3.22Å; T34-Q39 WeakPolarHBondContact OG1-CG 3.09Å; T35-Q39 PolarHBondContact O-N 3.37Å; T35-Q39 VanDerWaalsContact O-N 3.14Å; Y36-Q39 PolarHBondContact O-N 2.77Å; E37-Q39 VanDerWaalsContact C-N 3.28Å; E37-Q39 PolarHBondContact O-N 3.06Å
40K87.6Confident90.5Very high66 Ų6665.8 Ų65.829%0.28732%0.324SS..SBendtrans-67.5150.9170.4-67.7179.2179.6170.90111Y36 E37 F38 E42 V43 S44Y36-K40 PolarHBondContact O-N 3.42Å; E37-K40 VanDerWaalsContact O-CB 3.31Å; E37-K40 WeakPolarHBondContact O-CB 3.49Å; E37-K40 WeakPolarHBondContact O-CG 3.09Å; E37-K40 PolarHBondContact O-N 2.99Å; E37-K40 VanDerWaalsContact O-N 3.16Å; E37-K40 WeakPolarHBondContact OE1-CE 3.4Å; E37-K40 IonicContact OE1-NZ 2.79Å; E37-K40 PolarHBondContact OE1-NZ 3.44Å; E37-K40 WeakPolarHBondContact OE2-CE 3.48Å; E37-K40 IonicContact OE2-NZ 2.64Å; E37-K40 PolarHBondContact OE2-NZ 3.06Å; F38-K40 PolarHBondContact O-N 3.49Å; K40-E42 PolarHBondContact O-N 3.25Å; K40-V43 PolarHBondContact O-N 3.1Å; K40-S44 WeakPolarHBondContact O-CB 3.42Å; K40-S44 PolarHBondContact O-N 3.36Å; K40-S44 PolarHBondContact O-OG 3.39Å
41A85.5Confident90.6Very high39 Ų3962.2 Ų62.232%0.32231%0.309SS..Hα-helixtrans-67.9-36.1-176.700000112.2V43 K45A41-V43 VanDerWaalsContact C-N 3.29Å; A41-V43 PolarHBondContact O-N 3.11Å; A41-K45 WeakPolarHBondContact O-CB 3.21Å; A41-K45 PolarHBondContact O-N 2.65Å; A41-K45 VanDerWaalsContact O-N 3.1Å
42E88.1Confident90.6Very high152 Ų15262.6 Ų62.671%0.7131%0.311SS*.Hα-helixtrans-58.6-37.2176.3-61.6105-109.600113.3K40 P46K40-E42 PolarHBondContact O-N 3.25Å; E42-P46 WeakPolarHBondContact O-CD 3.44Å; E42-P46 WeakPolarHBondContact O-CG 3.44Å
43V89.8Confident90.7Very high64 Ų6460.5 Ų60.539%0.38831%0.309SS..Hα-helixtrans-90.3-46.5-175.8-176.20000111.9F38 K40 A41F38-V43 HydrophobicContact CD2-CG1 3.94Å; F38-V43 HydrophobicContact CE2-CG1 4.49Å; K40-V43 PolarHBondContact O-N 3.1Å; A41-V43 VanDerWaalsContact C-N 3.29Å; A41-V43 PolarHBondContact O-N 3.11Å
44S91.5Very high90.9Very high1 Ų160.1 Ų60.11%0.00731%0.307CS..Hα-helixtrans-73.2-34.3-176.954.10000113.8F38 K40 I47 F48F38-S44 WeakPolarHBondContact O-CB 3.32Å; K40-S44 WeakPolarHBondContact O-CB 3.42Å; K40-S44 PolarHBondContact O-N 3.36Å; K40-S44 PolarHBondContact O-OG 3.39Å; S44-I47 PolarHBondContact O-N 2.68Å; S44-F48 VanDerWaalsContact O-CG 3.29Å; S44-F48 WeakPolarHBondContact O-CG 3.47Å; S44-F48 PolarHBondContact O-N 3.01Å
45K91.9Very high91Very high108 Ų10859.8 Ų59.847%0.4731%0.305SS..Hα-helixtrans-64.6-48-173.1-167.6-166.1175.5-135.70113.3T4 A41 I47 F48 D49T4-K45 HydrophobicContact CG2-CB 3.77Å; T4-K45 HydrophobicContact CG2-CG 4.03Å; A41-K45 WeakPolarHBondContact O-CB 3.21Å; A41-K45 PolarHBondContact O-N 2.65Å; A41-K45 VanDerWaalsContact O-N 3.1Å; K45-I47 PolarHBondContact O-N 3.06Å; K45-F48 PolarHBondContact O-N 3.01Å; K45-F48 VanDerWaalsContact O-N 3.13Å; K45-D49 WeakPolarHBondContact CE-OD2 3.44Å; K45-D49 WeakPolarHBondContact CG-OD2 3.47Å; K45-D49 IonicContact NZ-OD2 2.81Å; K45-D49 PolarHBondContact NZ-OD2 3.18Å; K45-D49 WeakPolarHBondContact O-CB 3.23Å; K45-D49 PolarHBondContact O-N 3.32Å
46P92.8Very high91Very high79 Ų7959.8 Ų59.851%0.51331%0.311SS..Hα-helixtrans-59.8-34179.1-24.735.6000113.4E42 K50E42-P46 WeakPolarHBondContact O-CD 3.44Å; E42-P46 WeakPolarHBondContact O-CG 3.44Å; P46-K50 VanDerWaalsContact O-CB 3.31Å; P46-K50 WeakPolarHBondContact O-CB 3.25Å; P46-K50 PolarHBondContact O-N 3.49Å
47I92.4Very high91.1Very high49 Ų4960 Ų6025%0.25132%0.315SS..Hα-helixtrans-69.3-42.3177.3-59.3172.9000110.5F38 S44 K45 C51 L69 T72F38-I47 HydrophobicContact CD2-CD1 4.45Å; F38-I47 HydrophobicContact CE2-CD1 3.4Å; F38-I47 VanDerWaalsContact CE2-CD1 3.4Å; F38-I47 HydrophobicContact CZ-CD1 3.73Å; S44-I47 PolarHBondContact O-N 2.68Å; K45-I47 PolarHBondContact O-N 3.06Å; I47-C51 VanDerWaalsContact O-CB 3.3Å; I47-C51 WeakPolarHBondContact O-CB 3.48Å; I47-C51 PolarHBondContact O-N 3.11Å; I47-L69 HydrophobicContact CG2-CD1 3.8Å; I47-T72 HydrophobicContact CG2-CG2 4.32Å
48F94.5Very high91.1Very high2 Ų258.3 Ų58.31%0.00931%0.31CS..Hα-helixtrans-66.8-43.8174.5-65.9-14.1000112.4T4 W5 F8 F31 S44 K45 K50 C51 I52 L69 F73T4-F48 HydrophobicContact CG2-CD2 4.02Å; T4-F48 HydrophobicContact CG2-CE2 4.32Å; W5-F48 HydrophobicContact CE3-CE2 4.01Å; W5-F48 AromaticContact CE3-CZ 3.68Å; W5-F48 HydrophobicContact CE3-CZ 3.68Å; W5-F48 HydrophobicContact CZ3-CE1 4.23Å; W5-F48 HydrophobicContact CZ3-CE2 4.49Å; W5-F48 AromaticContact CZ3-CZ 3.79Å; W5-F48 HydrophobicContact CZ3-CZ 3.79Å; F8-F48 HydrophobicContact CB-CB 4.29Å; F8-F48 HydrophobicContact CB-CD2 3.81Å; F8-F48 HydrophobicContact CB-CE2 4.39Å; F8-F48 HydrophobicContact CB-CG 4.12Å; F8-F48 HydrophobicContact CD1-CD1 4.02Å; F8-F48 HydrophobicContact CD1-CD2 4.17Å; F8-F48 HydrophobicContact CD1-CE1 4.2Å; F8-F48 HydrophobicContact CD1-CE2 4.34Å; F8-F48 HydrophobicContact CD1-CG 4.03Å; F8-F48 HydrophobicContact CD1-CZ 4.36Å; F8-F48 HydrophobicContact CD2-CB 3.52Å; F8-F48 HydrophobicContact CD2-CD1 4.22Å; F8-F48 HydrophobicContact CD2-CD2 4.36Å; F8-F48 AromaticContact CD2-CG 3.8Å; F8-F48 HydrophobicContact CD2-CG 3.8Å; F8-F48 AromaticContact CE1-CD1 3.95Å; F8-F48 HydrophobicContact CE1-CD1 3.95Å; F8-F48 HydrophobicContact CE1-CE1 4.14Å; F8-F48 HydrophobicContact CE1-CG 4.37Å; F8-F48 HydrophobicContact CE2-CB 3.91Å; F8-F48 HydrophobicContact CE2-CD1 4.15Å; F8-F48 HydrophobicContact CE2-CG 4.15Å; F8-F48 HydrophobicContact CG-CB 3.93Å; F8-F48 HydrophobicContact CG-CD1 4.15Å; F8-F48 AromaticContact CG-CD2 3.88Å; F8-F48 HydrophobicContact CG-CD2 3.88Å; F8-F48 HydrophobicContact CG-CE2 4.45Å; F8-F48 AromaticContact CG-CG 3.72Å; F8-F48 HydrophobicContact CG-CG 3.72Å; F8-F48 HydrophobicContact CZ-CD1 4.01Å; F8-F48 HydrophobicContact CZ-CG 4.41Å; F31-F48 AromaticContact CD2-CZ 3.91Å; F31-F48 HydrophobicContact CD2-CZ 3.91Å; F31-F48 HydrophobicContact CE2-CE2 4.4Å; F31-F48 AromaticContact CE2-CZ 3.66Å; F31-F48 HydrophobicContact CE2-CZ 3.66Å; F31-F48 HydrophobicContact CG-CZ 4.49Å; F31-F48 HydrophobicContact CZ-CE2 4.36Å; F31-F48 HydrophobicContact CZ-CZ 4.03Å; S44-F48 VanDerWaalsContact O-CG 3.29Å; S44-F48 WeakPolarHBondContact O-CG 3.47Å; S44-F48 PolarHBondContact O-N 3.01Å; K45-F48 PolarHBondContact O-N 3.01Å; K45-F48 VanDerWaalsContact O-N 3.13Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.39Å; F48-C51 WeakPolarHBondContact O-CB 3.4Å; F48-C51 PolarHBondContact O-N 2.88Å; F48-I52 WeakPolarHBondContact O-CG1 3.11Å; F48-I52 PolarHBondContact O-N 2.92Å; F48-L69 HydrophobicContact CD1-CD1 4.32Å; F48-L69 HydrophobicContact CE1-CD1 4.32Å; F48-F73 AromaticContact CE1-CE1 3.9Å; F48-F73 HydrophobicContact CE1-CE1 3.9Å; F48-F73 AromaticContact CE1-CZ 3.82Å; F48-F73 HydrophobicContact CE1-CZ 3.82Å; F48-F73 HydrophobicContact CZ-CE1 4.5Å; F48-F73 HydrophobicContact CZ-CZ 4.38Å
49D93Very high91Very high66 Ų6661.3 Ų61.335%0.35333%0.33SS..Hα-helixtrans-64.2-39178.4-68.8-13.5000110.5K45 I52 A53K45-D49 WeakPolarHBondContact CE-OD2 3.44Å; K45-D49 WeakPolarHBondContact CG-OD2 3.47Å; K45-D49 IonicContact NZ-OD2 2.81Å; K45-D49 PolarHBondContact NZ-OD2 3.18Å; K45-D49 WeakPolarHBondContact O-CB 3.23Å; K45-D49 PolarHBondContact O-N 3.32Å; D49-I52 PolarHBondContact O-N 3.28Å; D49-A53 WeakPolarHBondContact O-CB 3.21Å; D49-A53 PolarHBondContact O-N 2.97Å
50K92.9Very high91Very high122 Ų12267.9 Ų67.953%0.5337%0.365SS..Hα-helixtrans-62.2-47.4170.8-178.6177.2-179.7-70.90112.3P46 F48 I52 A53 E54P46-K50 VanDerWaalsContact O-CB 3.31Å; P46-K50 WeakPolarHBondContact O-CB 3.25Å; P46-K50 PolarHBondContact O-N 3.49Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.39Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-I52 PolarHBondContact O-N 3.49Å; K50-A53 WeakPolarHBondContact O-CB 3.32Å; K50-A53 PolarHBondContact O-N 3.37Å; K50-A53 VanDerWaalsContact O-N 3.14Å; K50-E54 WeakPolarHBondContact CE-OE1 3.26Å; K50-E54 IonicContact NZ-OE1 3.8Å; K50-E54 PolarHBondContact NZ-OE1 2.89Å; K50-E54 IonicContact NZ-OE2 3.69Å; K50-E54 PolarHBondContact NZ-OE2 2.99Å; K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 2.95Å
51C93.1Very high91Very high5 Ų572.4 Ų72.43%0.03438%0.38CS..Hα-helixtrans-59.2-42.7177.7178.10000112F8 I47 F48 E54 I55F8-C51 HydrophobicContact CE2-CB 4.23Å; I47-C51 VanDerWaalsContact O-CB 3.3Å; I47-C51 WeakPolarHBondContact O-CB 3.48Å; I47-C51 PolarHBondContact O-N 3.11Å; F48-C51 WeakPolarHBondContact O-CB 3.4Å; F48-C51 PolarHBondContact O-N 2.88Å; C51-E54 PolarHBondContact O-N 2.7Å; C51-I55 VanDerWaalsContact O-CG1 3.3Å; C51-I55 WeakPolarHBondContact O-CG1 3.27Å; C51-I55 PolarHBondContact O-N 3.01Å
52I93.2Very high91.3Very high17 Ų1771 Ų719%0.08737%0.368CS..Hα-helixtrans-64.5-40.8174.1-66.2-59.6000111.6F8 Q11 I12 F48 D49 K50 I55 A56F8-I52 HydrophobicContact CD2-CD1 3.95Å; F8-I52 HydrophobicContact CD2-CG1 3.91Å; F8-I52 HydrophobicContact CE2-CD1 3.88Å; F8-I52 HydrophobicContact CE2-CG1 3.98Å; Q11-I52 HydrophobicContact CB-CD1 3.57Å; Q11-I52 HydrophobicContact CB-CG1 4.06Å; Q11-I52 HydrophobicContact CB-CG2 4.48Å; I12-I52 HydrophobicContact CG1-CD1 3.75Å; F48-I52 WeakPolarHBondContact O-CG1 3.11Å; F48-I52 PolarHBondContact O-N 2.92Å; D49-I52 PolarHBondContact O-N 3.28Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-I52 PolarHBondContact O-N 3.49Å; I52-I55 PolarHBondContact O-N 3.04Å; I52-A56 VanDerWaalsContact O-CB 3.28Å; I52-A56 WeakPolarHBondContact O-CB 3.47Å; I52-A56 PolarHBondContact O-N 3.38Å
53A93Very high91.4Very high60 Ų6069.5 Ų69.550%0.49636%0.356SS..Hα-helixtrans-64.7-39.2177.300000112.5D49 K50 A56 F57D49-A53 WeakPolarHBondContact O-CB 3.21Å; D49-A53 PolarHBondContact O-N 2.97Å; K50-A53 WeakPolarHBondContact O-CB 3.32Å; K50-A53 PolarHBondContact O-N 3.37Å; K50-A53 VanDerWaalsContact O-N 3.14Å; A53-A56 PolarHBondContact O-N 2.96Å; A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 3.19Å
54E92.2Very high91.5Very high78 Ų7870.4 Ų70.436%0.36436%0.362SS..Hα-helixtrans-67.8-40.7176.6-72.8173.6149.600111.9K50 C51 F57 N58 I65K50-E54 WeakPolarHBondContact CE-OE1 3.26Å; K50-E54 IonicContact NZ-OE1 3.8Å; K50-E54 PolarHBondContact NZ-OE1 2.89Å; K50-E54 IonicContact NZ-OE2 3.69Å; K50-E54 PolarHBondContact NZ-OE2 2.99Å; K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 2.95Å; C51-E54 PolarHBondContact O-N 2.7Å; E54-F57 PolarHBondContact O-N 3.13Å; E54-N58 PolarHBondContact O-N 3.4Å; E54-I65 HydrophobicContact CB-CD1 4.03Å; E54-I65 HydrophobicContact CB-CG1 4.41Å; E54-I65 HydrophobicContact CB-CG2 4.12Å
55I92.3Very high91.5Very high0 Ų071.1 Ų71.10%037%0.365CS..Hα-helixtrans-66.1-39.2174-67.3165.9000111I12 Y15 C51 I52 F57 N58 P59 I62 I65 L66I12-I55 HydrophobicContact CG1-CD1 4.39Å; Y15-I55 HydrophobicContact CD1-CG2 4Å; Y15-I55 HydrophobicContact CD2-CG2 3.88Å; Y15-I55 HydrophobicContact CE1-CG2 4.44Å; Y15-I55 HydrophobicContact CE2-CG2 4.33Å; Y15-I55 HydrophobicContact CG-CG2 3.7Å; C51-I55 VanDerWaalsContact O-CG1 3.3Å; C51-I55 WeakPolarHBondContact O-CG1 3.27Å; C51-I55 PolarHBondContact O-N 3.01Å; I52-I55 PolarHBondContact O-N 3.04Å; I55-F57 VanDerWaalsContact C-N 3.26Å; I55-F57 PolarHBondContact O-N 3.34Å; I55-N58 CarbonylContact O-C 3.55Å; I55-P59 VanDerWaalsContact O-CA 3.3Å; I55-P59 WeakPolarHBondContact O-CA 3.13Å; I55-P59 VanDerWaalsContact O-N 3.13Å; I55-I62 HydrophobicContact CD1-CG1 4.18Å; I55-I62 HydrophobicContact CG1-CG1 4.28Å; I55-I62 HydrophobicContact CG2-CB 4.46Å; I55-I62 HydrophobicContact CG2-CD1 4.08Å; I55-I62 HydrophobicContact CG2-CG1 4.23Å; I55-I65 HydrophobicContact CD1-CG2 4.33Å; I55-I65 HydrophobicContact CG1-CB 4.12Å; I55-I65 HydrophobicContact CG1-CD1 3.89Å; I55-I65 HydrophobicContact CG1-CG2 3.9Å; I55-L66 HydrophobicContact CD1-CD2 4.01Å
56A91.1Very high91.5Very high57 Ų5766.3 Ų66.347%0.47135%0.345SS..Hα-helixtrans-68.6-23.5177.100000113.2I52 A53I52-A56 VanDerWaalsContact O-CB 3.28Å; I52-A56 WeakPolarHBondContact O-CB 3.47Å; I52-A56 PolarHBondContact O-N 3.38Å; A53-A56 PolarHBondContact O-N 2.96Å
57F90.7Very high91.4Very high167 Ų16766 Ų6673%0.73234%0.339SS*.Hα-helixtrans-90.4-35.2177.2-171.5-108.7000112.9A53 E54 I55A53-F57 WeakPolarHBondContact O-CB 3.35Å; A53-F57 PolarHBondContact O-N 3.19Å; E54-F57 PolarHBondContact O-N 3.13Å; I55-F57 VanDerWaalsContact C-N 3.26Å; I55-F57 PolarHBondContact O-N 3.34Å
58N88.7Confident91.4Very high70 Ų7068.1 Ų68.137%0.37435%0.351SS..  trans-132.276.7176.7-71.7-64.1000111.1E54 I55 D60 R61E54-N58 PolarHBondContact O-N 3.4Å; I55-N58 CarbonylContact O-C 3.55Å; N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 2.9Å; N58-R61 HydrophobicContact CB-CB 4.1Å; N58-R61 HydrophobicContact CB-CG 4.27Å; N58-R61 PolarHBondContact O-N 3.43Å
59P88.4Confident91.3Very high66 Ų6668.3 Ų68.343%0.42935%0.352SS..G310 helixtrans-59.2-37.5-17822.5-33.2000112.6I55 R61 I62I55-P59 VanDerWaalsContact O-CA 3.3Å; I55-P59 WeakPolarHBondContact O-CA 3.13Å; I55-P59 VanDerWaalsContact O-N 3.13Å; P59-R61 PolarHBondContact O-N 3.36Å; P59-I62 WeakPolarHBondContact O-CB 3.4Å; P59-I62 WeakPolarHBondContact O-CG2 3.48Å; P59-I62 PolarHBondContact O-N 2.91Å
60D87.4Confident91.3Very high158 Ų15869.5 Ų69.585%0.84535%0.354SS*.G310 helixtrans-60.6-19.3177.8-52.4-24.3000113.5N58N58-D60 VanDerWaalsContact C-N 3.27Å; N58-D60 PolarHBondContact O-N 2.9Å
61R89.5Confident91.2Very high160 Ų16066.7 Ų66.760%0.60435%0.347SS*.G310 helixtrans-98.811.5178.2-64.9-170.4174.7-150.3-1.9113.6N58 P59 Y63 V64 I65N58-R61 HydrophobicContact CB-CB 4.1Å; N58-R61 HydrophobicContact CB-CG 4.27Å; N58-R61 PolarHBondContact O-N 3.43Å; P59-R61 PolarHBondContact O-N 3.36Å; R61-Y63 VanDerWaalsContact C-N 3.32Å; R61-Y63 PolarHBondContact O-N 2.7Å; R61-V64 WeakPolarHBondContact O-CB 3.39Å; R61-V64 PolarHBondContact O-N 2.92Å; R61-I65 HydrophobicContact CB-CD1 4.18Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 3.37Å; R61-I65 VanDerWaalsContact O-N 3.13Å
62I90.8Very high91.1Very high10 Ų1068.4 Ų68.45%0.05136%0.357CS..Hα-helixtrans-46.8-50-176.9-176.5163.9000113.3L16 I55 P59 V64 I65 L66L16-I62 HydrophobicContact CD2-CD1 3.78Å; L16-I62 HydrophobicContact CD2-CG1 4.39Å; L16-I62 HydrophobicContact CG-CD1 4.08Å; I55-I62 HydrophobicContact CD1-CG1 4.18Å; I55-I62 HydrophobicContact CG1-CG1 4.28Å; I55-I62 HydrophobicContact CG2-CB 4.46Å; I55-I62 HydrophobicContact CG2-CD1 4.08Å; I55-I62 HydrophobicContact CG2-CG1 4.23Å; P59-I62 WeakPolarHBondContact O-CB 3.4Å; P59-I62 WeakPolarHBondContact O-CG2 3.48Å; P59-I62 PolarHBondContact O-N 2.91Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 2.82Å; I62-I65 PolarHBondContact O-N 3.14Å; I62-L66 HydrophobicContact CD1-CD1 4.47Å; I62-L66 HydrophobicContact CG1-CD1 3.89Å; I62-L66 HydrophobicContact CG1-CG 4.14Å; I62-L66 VanDerWaalsContact O-CG 3.28Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.06Å
63Y90.9Very high91.1Very high120 Ų12067.6 Ų67.647%0.47135%0.353SS..Hα-helixtrans-64.8-31.4-177.8-56.7-65.9000113.6L16 D20 I23 R61 N67L16-Y63 HydrophobicContact CD2-CE1 4.11Å; D20-Y63 PolarHBondContact OD2-OH 2.7Å; I23-Y63 HydrophobicContact CD1-CD1 3.87Å; I23-Y63 HydrophobicContact CD1-CE1 3.67Å; R61-Y63 VanDerWaalsContact C-N 3.32Å; R61-Y63 PolarHBondContact O-N 2.7Å; Y63-N67 WeakPolarHBondContact O-CB 3.42Å; Y63-N67 PolarHBondContact O-N 2.7Å
64V90.6Very high91Very high84 Ų8472 Ų7251%0.50936%0.361SS..Hα-helixtrans-66.7-51.1174.6-1740000109.5R61 I62 L66 N67 D68R61-V64 WeakPolarHBondContact O-CB 3.39Å; R61-V64 PolarHBondContact O-N 2.92Å; I62-V64 VanDerWaalsContact C-N 3.3Å; I62-V64 PolarHBondContact O-N 2.82Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.94Å; V64-N67 CarbonylContact O-C 3.39Å; V64-N67 WeakPolarHBondContact O-CA 3.17Å; V64-N67 WeakPolarHBondContact O-CB 3.44Å; V64-N67 PolarHBondContact O-N 3.23Å; V64-D68 PolarHBondContact O-N 3.42Å
65I91.3Very high90.9Very high16 Ų1674.8 Ų74.88%0.08238%0.378CS..Hα-helixtrans-63-35.2-179-58.1158.5000111.2E54 I55 R61 I62 L69E54-I65 HydrophobicContact CB-CD1 4.03Å; E54-I65 HydrophobicContact CB-CG1 4.41Å; E54-I65 HydrophobicContact CB-CG2 4.12Å; I55-I65 HydrophobicContact CD1-CG2 4.33Å; I55-I65 HydrophobicContact CG1-CB 4.12Å; I55-I65 HydrophobicContact CG1-CD1 3.89Å; I55-I65 HydrophobicContact CG1-CG2 3.9Å; R61-I65 HydrophobicContact CB-CD1 4.18Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 3.37Å; R61-I65 VanDerWaalsContact O-N 3.13Å; I62-I65 PolarHBondContact O-N 3.14Å; I65-L69 PolarHBondContact O-N 2.85Å; I65-L69 VanDerWaalsContact O-N 3.08Å
66L92.5Very high90.7Very high6 Ų678.3 Ų78.33%0.03139%0.394CS..Hα-helixtrans-70.7-30.5172.3-65.4-176.5000112.9I12 L16 I23 L27 I55 I62 V64 K70I12-L66 HydrophobicContact CD1-CD2 3.54Å; I12-L66 HydrophobicContact CG1-CD2 4.48Å; L16-L66 HydrophobicContact CD2-CD1 4.11Å; I23-L66 HydrophobicContact CG2-CD1 4.15Å; L27-L66 HydrophobicContact CD1-CB 4.31Å; L27-L66 HydrophobicContact CD1-CD1 4.35Å; L27-L66 HydrophobicContact CD1-CD2 3.96Å; L27-L66 HydrophobicContact CD1-CG 4.42Å; I55-L66 HydrophobicContact CD1-CD2 4.01Å; I62-L66 HydrophobicContact CD1-CD1 4.47Å; I62-L66 HydrophobicContact CG1-CD1 3.89Å; I62-L66 HydrophobicContact CG1-CG 4.14Å; I62-L66 VanDerWaalsContact O-CG 3.28Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.06Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.94Å; L66-K70 WeakPolarHBondContact O-CB 3.44Å; L66-K70 PolarHBondContact O-N 3.08Å
67N90.9Very high90.5Very high74 Ų7477.5 Ų77.540%0.39638%0.383SS..Hα-helixtrans-74.2-34.3173.6-162.152.7000112Y63 V64 L69 K70 T71Y63-N67 WeakPolarHBondContact O-CB 3.42Å; Y63-N67 PolarHBondContact O-N 2.7Å; V64-N67 CarbonylContact O-C 3.39Å; V64-N67 WeakPolarHBondContact O-CA 3.17Å; V64-N67 WeakPolarHBondContact O-CB 3.44Å; V64-N67 PolarHBondContact O-N 3.23Å; N67-L69 VanDerWaalsContact C-N 3.34Å; N67-K70 WeakPolarHBondContact O-CB 3.43Å; N67-K70 PolarHBondContact O-N 2.54Å; N67-K70 WeakPolarHBondContact OD1-CD 3.46Å; N67-K70 PolarHBondContact OD1-NZ 3.31Å; N67-T71 WeakPolarHBondContact O-CB 3.45Å; N67-T71 PolarHBondContact O-N 3.14Å; N67-T71 PolarHBondContact O-OG1 3.36Å
68D92.1Very high90.1Very high92 Ų9273.3 Ų73.349%0.49237%0.373SS..Hα-helixtrans-64.4-39171-65.7-30000111.4V64 T71 T72V64-D68 PolarHBondContact O-N 3.42Å; D68-T71 PolarHBondContact O-N 3.49Å; D68-T72 WeakPolarHBondContact O-CB 3.36Å; D68-T72 PolarHBondContact O-N 3.25Å; D68-T72 PolarHBondContact O-OG1 3.1Å
69L93.2Very high89.3Confident6 Ų679.6 Ų79.63%0.03140%0.397CS..Hα-helixtrans-67.5-43.2172.7-174.666.5000112.4F8 I47 F48 I65 N67 T71 T72 F73F8-L69 HydrophobicContact CE1-CD2 3.64Å; F8-L69 HydrophobicContact CE2-CD2 4.5Å; F8-L69 HydrophobicContact CZ-CD2 3.34Å; I47-L69 HydrophobicContact CG2-CD1 3.8Å; F48-L69 HydrophobicContact CD1-CD1 4.32Å; F48-L69 HydrophobicContact CE1-CD1 4.32Å; I65-L69 PolarHBondContact O-N 2.85Å; I65-L69 VanDerWaalsContact O-N 3.08Å; N67-L69 VanDerWaalsContact C-N 3.34Å; L69-T71 PolarHBondContact O-N 3.38Å; L69-T72 WeakPolarHBondContact O-CB 3.45Å; L69-T72 PolarHBondContact O-N 2.85Å; L69-T72 VanDerWaalsContact O-N 3.12Å; L69-F73 HydrophobicContact CD1-CD1 4.44Å; L69-F73 HydrophobicContact CD1-CE1 3.66Å; L69-F73 HydrophobicContact CD1-CZ 3.78Å; L69-F73 HydrophobicContact CD2-CE2 4.28Å; L69-F73 HydrophobicContact CD2-CZ 3.81Å; L69-F73 HydrophobicContact CG-CE1 3.9Å; L69-F73 HydrophobicContact CG-CE2 3.98Å; L69-F73 HydrophobicContact CG-CZ 3.54Å; L69-F73 WeakPolarHBondContact O-CG 3.49Å; L69-F73 PolarHBondContact O-N 2.67Å
70K91.6Very high87.7Confident92 Ų9281.2 Ų81.240%0.440%0.401SS..Hα-helixtrans-56.3-37.8171.6170.6-178153.9-151.80111.4L27 L66 N67 F73 K74L27-K70 HydrophobicContact CD2-CB 3.91Å; L66-K70 WeakPolarHBondContact O-CB 3.44Å; L66-K70 PolarHBondContact O-N 3.08Å; N67-K70 WeakPolarHBondContact O-CB 3.43Å; N67-K70 PolarHBondContact O-N 2.54Å; N67-K70 WeakPolarHBondContact OD1-CD 3.46Å; N67-K70 PolarHBondContact OD1-NZ 3.31Å; K70-F73 PolarHBondContact O-N 3.39Å; K70-K74 PolarHBondContact O-N 3.35Å
71T91Very high85.6Confident63 Ų6379.7 Ų79.739%0.38739%0.392SS..Hα-helixtrans-71.6-40.4174.8-600000111.8N67 D68 L69 F73 K74 L75N67-T71 WeakPolarHBondContact O-CB 3.45Å; N67-T71 PolarHBondContact O-N 3.14Å; N67-T71 PolarHBondContact O-OG1 3.36Å; D68-T71 PolarHBondContact O-N 3.49Å; L69-T71 PolarHBondContact O-N 3.38Å; T71-F73 VanDerWaalsContact C-N 3.27Å; T71-F73 PolarHBondContact O-N 3.38Å; T71-K74 WeakPolarHBondContact O-CA 3.2Å; T71-K74 VanDerWaalsContact O-CB 3.31Å; T71-K74 WeakPolarHBondContact O-CB 3.43Å; T71-K74 PolarHBondContact O-N 2.76Å; T71-L75 WeakPolarHBondContact O-CG 3.28Å; T71-L75 PolarHBondContact O-N 3.17Å
72T91.2Very high83.8Confident40 Ų4079.5 Ų79.525%0.24540%0.396CS..Hα-helixtrans-59.1-38.1172.6-57.40000111.6F38 I47 D68 L69 H76F38-T72 HydrophobicContact CE2-CG2 4.28Å; F38-T72 HydrophobicContact CZ-CG2 4.09Å; I47-T72 HydrophobicContact CG2-CG2 4.32Å; D68-T72 WeakPolarHBondContact O-CB 3.36Å; D68-T72 PolarHBondContact O-N 3.25Å; D68-T72 PolarHBondContact O-OG1 3.1Å; L69-T72 WeakPolarHBondContact O-CB 3.45Å; L69-T72 PolarHBondContact O-N 2.85Å; L69-T72 VanDerWaalsContact O-N 3.12Å; T72-H76 PolarHBondContact O-N 2.68Å; T72-H76 PolarHBondContact O-ND1 2.81Å
73F93.7Very high81.5Confident0 Ų088.2 Ų88.20%043%0.434CS..Hα-helixtrans-69.2-38.1171.3-57.9-21.6000112.7W5 L27 K30 F31 T34 F38 F48 L69 K70 T71 L75 H76 T77W5-F73 HydrophobicContact CH2-CE2 4.43Å; W5-F73 HydrophobicContact CZ3-CE2 4.32Å; W5-F73 HydrophobicContact CZ3-CZ 4Å; L27-F73 HydrophobicContact CB-CE2 4.41Å; L27-F73 HydrophobicContact CD2-CE2 4.16Å; K30-F73 HydrophobicContact CB-CB 4.2Å; K30-F73 HydrophobicContact CB-CD2 3.84Å; F31-F73 HydrophobicContact CB-CD2 4.27Å; F31-F73 HydrophobicContact CB-CE1 4.47Å; F31-F73 HydrophobicContact CB-CE2 3.91Å; F31-F73 HydrophobicContact CB-CZ 4.02Å; F31-F73 HydrophobicContact CD2-CD1 4.32Å; F31-F73 AromaticContact CD2-CE1 3.83Å; F31-F73 HydrophobicContact CD2-CE1 3.83Å; F31-F73 HydrophobicContact CD2-CZ 4.04Å; F31-F73 HydrophobicContact CG-CZ 4.4Å; T34-F73 HydrophobicContact CG2-CB 3.79Å; T34-F73 HydrophobicContact CG2-CD1 4.18Å; T34-F73 HydrophobicContact CG2-CG 4.21Å; F38-F73 AromaticContact CE1-CD1 3.63Å; F38-F73 HydrophobicContact CE1-CD1 3.63Å; F38-F73 AromaticContact CE1-CE1 3.76Å; F38-F73 HydrophobicContact CE1-CE1 3.76Å; F38-F73 HydrophobicContact CZ-CD1 4.02Å; F38-F73 HydrophobicContact CZ-CE1 4.16Å; F48-F73 AromaticContact CE1-CE1 3.9Å; F48-F73 HydrophobicContact CE1-CE1 3.9Å; F48-F73 AromaticContact CE1-CZ 3.82Å; F48-F73 HydrophobicContact CE1-CZ 3.82Å; F48-F73 HydrophobicContact CZ-CE1 4.5Å; F48-F73 HydrophobicContact CZ-CZ 4.38Å; L69-F73 HydrophobicContact CD1-CD1 4.44Å; L69-F73 HydrophobicContact CD1-CE1 3.66Å; L69-F73 HydrophobicContact CD1-CZ 3.78Å; L69-F73 HydrophobicContact CD2-CE2 4.28Å; L69-F73 HydrophobicContact CD2-CZ 3.81Å; L69-F73 HydrophobicContact CG-CE1 3.9Å; L69-F73 HydrophobicContact CG-CE2 3.98Å; L69-F73 HydrophobicContact CG-CZ 3.54Å; L69-F73 WeakPolarHBondContact O-CG 3.49Å; L69-F73 PolarHBondContact O-N 2.67Å; K70-F73 PolarHBondContact O-N 3.39Å; T71-F73 VanDerWaalsContact C-N 3.27Å; T71-F73 PolarHBondContact O-N 3.38Å; F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 2.88Å; F73-H76 CarbonylContact O-C 3.5Å; F73-H76 PolarHBondContact O-N 3.16Å; F73-T77 PolarHBondContact O-N 3.09Å; F73-T77 PolarHBondContact O-OG1 3Å
74K90.4Very high79.2Confident153 Ų15385.3 Ų85.367%0.66543%0.431SS*.Hα-helixtrans-58.2-40.2174.8-167.5-175.4179.6-176.10111K70 T71 T77K70-K74 PolarHBondContact O-N 3.35Å; T71-K74 WeakPolarHBondContact O-CA 3.2Å; T71-K74 VanDerWaalsContact O-CB 3.31Å; T71-K74 WeakPolarHBondContact O-CB 3.43Å; T71-K74 PolarHBondContact O-N 2.76Å; K74-T77 PolarHBondContact O-N 3.4Å
75L89.8Confident76.9Confident137 Ų13785.5 Ų85.572%0.71743%0.426SS*.Hα-helixtrans-66.2-36.9175.6-67.8171.2000113.4T71 F73T71-L75 WeakPolarHBondContact O-CG 3.28Å; T71-L75 PolarHBondContact O-N 3.17Å; F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 2.88Å
76H88.5Confident74.5Confident74 Ų7492.3 Ų92.334%0.34346%0.457SS..THydrogen-bonded Turntrans-92.78.2180-66.687.5000114T34 T35 F38 T72 F73T34-H76 CarbonylContact C-O 3.56Å; T34-H76 VanDerWaalsContact CA-O 3.25Å; T34-H76 WeakPolarHBondContact CA-O 3.44Å; T34-H76 HydrophobicContact CG2-CB 4.08Å; T35-H76 PolarHBondContact N-O 3.29Å; F38-H76 HydrophobicContact CB-CB 4.09Å; F38-H76 HydrophobicContact CD1-CB 4.29Å; F38-H76 HydrophobicContact CD2-CB 3.82Å; F38-H76 AromaticContact CD2-CD2 3.27Å; F38-H76 WeakPolarHBondContact CD2-CD2 3.33Å; F38-H76 AromaticContact CD2-CE1 3.84Å; F38-H76 AromaticContact CD2-CG 3.29Å; F38-H76 AromaticContact CD2-ND1 3.67Å; F38-H76 AromaticContact CD2-NE2 3.63Å; F38-H76 HydrophobicContact CE2-CB 4.28Å; F38-H76 AromaticContact CE2-CD2 3.89Å; F38-H76 AromaticContact CE2-CE1 3.65Å; F38-H76 AromaticContact CE2-CG 3.63Å; F38-H76 AromaticContact CE2-ND1 3.48Å; F38-H76 WeakPolarHBondContact CE2-ND1 3.5Å; F38-H76 AromaticContact CE2-NE2 3.9Å; F38-H76 HydrophobicContact CG-CB 3.8Å; F38-H76 AromaticContact CG-CD2 3.98Å; F38-H76 AromaticContact CG-CG 3.82Å; T72-H76 PolarHBondContact O-N 2.68Å; T72-H76 PolarHBondContact O-ND1 2.81Å; F73-H76 CarbonylContact O-C 3.5Å; F73-H76 PolarHBondContact O-N 3.16Å
77T87.4Confident71.9Confident40 Ų4096 Ų9625%0.24548%0.48CS..SBendtrans-87.8127.3171.7-61.30000108.7Q33 F73 K74 K79Q33-T77 HydrophobicContact CB-CG2 4.29Å; F73-T77 PolarHBondContact O-N 3.09Å; F73-T77 PolarHBondContact O-OG1 3Å; K74-T77 PolarHBondContact O-N 3.4Å; T77-K79 PolarHBondContact O-N 3.4Å
78P81.4Confident69.4Low78 Ų7897.5 Ų97.551%0.50649%0.487SS..  trans-62123.7179.925.4-33.2000110.7Q33 I80Q33-P78 WeakPolarHBondContact O-CD 3.41Å; P78-I80 PolarHBondContact O-N 2.98Å; P78-I80 VanDerWaalsContact O-N 3.11Å
79K72Confident66.9Low203 Ų20397.2 Ų97.288%0.88349%0.489SS*.  trans-65110.3172.2-66.8-177.2-178.9-179.90108.3T77 D81T77-K79 PolarHBondContact O-N 3.4Å; K79-D81 PolarHBondContact O-N 3.23Å
80I56.1Low64.4Low99 Ų99105.3 Ų105.351%0.50852%0.524SS..  trans-75.7115.9173-59.4170.6000107.4P78 K82 Q85P78-I80 PolarHBondContact O-N 2.98Å; P78-I80 VanDerWaalsContact O-N 3.11Å; I80-K82 PolarHBondContact O-N 3.46Å; I80-Q85 HydrophobicContact CG2-CG 3.84Å
81D43.1Very low61.8Low126 Ų126110.1 Ų110.167%0.67454%0.539SS*.  trans-58.8131.7173.1-86.2-40.3000110.4K79 K83 S84K79-D81 PolarHBondContact O-N 3.23Å; D81-K83 PolarHBondContact O-N 2.94Å; D81-S84 PolarHBondContact O-N 2.89Å
82K51.6Low59.2Low156 Ų156116.9 Ų116.968%0.67856%0.558SS**Hα-helixtrans-57.1-18.3-174.3-67.5-176.7179.21790113.4I80I80-K82 PolarHBondContact O-N 3.46Å
83K42.8Very low56.6Low194 Ų194122.6 Ų122.684%0.84359%0.586SS**Hα-helixtrans-66.2-31.3172.3-78.1-174174.1179.70114.2D81D81-K83 PolarHBondContact O-N 2.94Å
84S41.9Very low53.7Low58 Ų58129 Ų12941%0.40662%0.62SS.*Hα-helixtrans-81.6-24.6-175.9-56.50000113.4D81 Q86 V87 I88D81-S84 PolarHBondContact O-N 2.89Å; S84-Q86 PolarHBondContact O-N 3.23Å; S84-V87 PolarHBondContact O-N 3.18Å; S84-I88 PolarHBondContact O-N 3.08Å
85Q41.8Very low50.7Low89 Ų89131 Ų13142%0.41663%0.629SS.*Hα-helixtrans-73.6-25.6-169.9-96.7162.7-15.400114.5I80 V87 T89I80-Q85 HydrophobicContact CG2-CG 3.84Å; Q85-V87 VanDerWaalsContact C-N 3.27Å; Q85-V87 PolarHBondContact O-N 3.36Å; Q85-T89 WeakPolarHBondContact O-CG2 3.41Å; Q85-T89 PolarHBondContact O-N 3.41Å; Q85-T89 PolarHBondContact O-OG1 2.91Å
86Q41.5Very low48.1Very low158 Ų158133.7 Ų133.774%0.73864%0.635SS**Hα-helixtrans-68.6-23173-69.8-171.4-5.600113.6S84S84-Q86 PolarHBondContact O-N 3.23Å
87V37.4Very low45.3Very low85 Ų85136.3 Ų136.352%0.51566%0.656SS.*Hα-helixtrans-89.5-30.2-179.7-176.60000111.9S84 Q85S84-V87 PolarHBondContact O-N 3.18Å; Q85-V87 VanDerWaalsContact C-N 3.27Å; Q85-V87 PolarHBondContact O-N 3.36Å
88I39.1Very low42.7Very low104 Ų104141.7 Ų141.753%0.53368%0.682SS.*Hα-helixtrans-88-30.6-176.7-63.4174.3000111.9S84 R91S84-I88 PolarHBondContact O-N 3.08Å; I88-R91 PolarHBondContact O-N 3.23Å
89T39.2Very low40.4Very low86 Ų86143.4 Ų143.453%0.52870%0.696SS.*Hα-helixtrans-70.2-41.7173.353.20000111.9Q85 R91 R92Q85-T89 WeakPolarHBondContact O-CG2 3.41Å; Q85-T89 PolarHBondContact O-N 3.41Å; Q85-T89 PolarHBondContact O-OG1 2.91Å; T89-R91 PolarHBondContact O-N 3.25Å; T89-R92 PolarHBondContact O-N 3.48Å
90K41.1Very low38.7Very low176 Ų176142.4 Ų142.477%0.76570%0.695SS**THydrogen-bonded Turntrans-67.88.3172.1-78.3-167.6171-1730115.3
91R36.1Very low37.8Very low194 Ų194144.9 Ų144.973%0.73271%0.709SS**THydrogen-bonded Turntrans-128.715.8172.1-69.5-172.1-179.1175.52.2113.5I88 T89I88-R91 PolarHBondContact O-N 3.23Å; T89-R91 PolarHBondContact O-N 3.25Å
92R36.9Very low37.5Very low204 Ų204145.1 Ų145.177%0.7772%0.715SS**SBendtrans-130.716.3-177.7-147.2171.6-176.7157.43.2114.7T89T89-R92 PolarHBondContact O-N 3.48Å
93L37.1Very low36.7Very low160 Ų160141 Ų14184%0.83872%0.716SS**SBendtrans-120.99.5171.9-81.4166.1000113.6
94D32.1Very low36.3Very low135 Ų135137.5 Ų137.572%0.72272%0.716SS**  trans-119.978.2175.9-68.4-66.4000110.9
95F29Very low36.3Very low194 Ų194139.2 Ų139.285%0.85173%0.726SS**  trans-143.963.6174.6-96.2-73.7000111.8
96K33.4Very low36.1Very low194 Ų194143.3 Ų143.384%0.84375%0.745SS**  trans-155104.1166.1-160.6157.5-174.7175.60113.7
97T29.9Very low36Very low129 Ų129143.5 Ų143.579%0.79175%0.749SS**  trans68.4137.2170.2-22.40000112.1
98I32.9Very low36.1Very low153 Ų153148.9 Ų148.979%0.78577%0.766SS**  cis-135.6161.634.7-70.6156.9000111
99S33.7Very low35.9Very low114 Ų114147.9 Ų147.980%0.79777%0.768SS**  trans-142.8117.8168-61.60000111.7
100Q36.9Very low35.9Very low183 Ų183151.3 Ų151.386%0.85578%0.777SS**  trans-178.1119.6156.4-100.5155.57.700105.6
101D35.7Very low35.7Very low150 Ų150149.8 Ų149.880%0.80278%0.778SS**  78.5135100.6-143.617.6000110.7
102V38Very low35.6Very low132 Ų132145.5 Ų145.580%0.878%0.778SS**  cis-150.6158.233.1179.90000110.3
103G34.7Very low35.6Very low68 Ų68141.3 Ų141.370%0.70178%0.777SS**  trans118.8149.6146.700000119.3
104S35Very low35.7Very low121 Ų121141.4 Ų141.485%0.84678%0.778SS**  trans-162.8174.6-174.2-1000000110
105P41.7Very low35.8Very low94 Ų94145.2 Ų145.261%0.6178%0.782SS**  cis-139.4-156.2-28.236.4-14.8000113
106H37.4Very low35.8Very low176 Ų176140.6 Ų140.682%0.81577%0.773SS**  trans81.3151.4172.6-48.3-65.4000116.1
107I39.7Very low36.1Very low162 Ų162137.2 Ų137.283%0.83177%0.769SS**  cis-131.6162.616.9-62.9168.9000112.7
108K38Very low36.3Very low198 Ų198138.4 Ų138.486%0.86177%0.77SS**  trans-54.5172168.8-73.7170.5-177176.70115.2
109S34.9Very low36.7Very low83 Ų83138.6 Ų138.658%0.5877%0.773SS**  cis-176.1-178.5-8.2166.80000109.9
110H39.7Very low36.7Very low157 Ų157141 Ų14173%0.72778%0.777SS**  trans86126.6169.8-52-72.8000116.1
111N36.6Very low36.8Very low144 Ų144139.9 Ų139.977%0.7778%0.775SS**  cis77.6135.150-63.89.3000112.4
112S33.8Very low36.9Very low105 Ų105137.2 Ų137.273%0.73477%0.768SS**  cis-161.7167-4.3-930000110.4
113P37.9Very low36.7Very low115 Ų115139 Ų13975%0.74777%0.767SS**  trans-98.9151.3-177.937.2-34.2000116
114N38.7Very low36.8Very low162 Ų162145.7 Ų145.787%0.86678%0.777SS**  trans-147.5145.6160.5-79.2-46.5000107.3
115R33.4Very low36.6Very low215 Ų215147 Ų14781%0.81178%0.775SS**  cis110.3129.410.8-161.7-172.3-154.2-84.11.8112.8
116C30.4Very low36.4Very low98 Ų98148.4 Ų148.466%0.66279%0.787SS**  trans70.8155.6-178.6-60.70000114.5
117T38.3Very low36.3Very low123 Ų123145.5 Ų145.576%0.75579%0.787SS**  cis-125.2161.111.347.40000114.2
118D34.2Very low36.3Very low154 Ų154143.4 Ų143.482%0.82478%0.783SS**  trans-86.2155.4162.7-46.2-89.3000110.5
119D42.5Very low36.2Very low157 Ų157139.9 Ų139.984%0.8478%0.778SS**  trans-153.9129.4163.3-102.5-45.3000110.2
120D34.5Very low36.1Very low164 Ų164140.8 Ų140.888%0.87778%0.784SS**  trans-116.7115.2-171.6-135.1-23.2000109.5
121I38.9Very low36Very low160 Ų160139 Ų13982%0.82179%0.79SS**  trans-133.2129.9174.2-62.2-173.9000112.4
122S36.9Very low35.8Very low94 Ų94138.5 Ų138.566%0.65780%0.796SS**  trans-69148.3-16858.90000117.9
123H33.2Very low36Very low168 Ų168139.8 Ų139.878%0.77880%0.802SS**  trans31.8130138.4-62.5-69.1000121.4
124K37.2Very low35.9Very low209 Ų209138.1 Ų138.191%0.90981%0.805SS**  -157.2129.8127.5-112.2159.7-173.11730111.9
125N29.9Very low35.6Very low149 Ų149137.7 Ų137.780%0.79780%0.803SS**  trans-91.1142.6174.8-69-10.7000110.7
126S37.5Very low35.6Very low123 Ų123135.1 Ų135.186%0.8681%0.806SS**  trans-158.2132.3160.8-74.50000110.6
127S35.7Very low35.8Very low116 Ų116137.1 Ų137.181%0.81181%0.81SS**  trans-133.2-174.8173.9-45.10000106.7
128P40.7Very low35.8Very low118 Ų118137.6 Ų137.677%0.76681%0.812SS**  cis-134.6-132.5-1.642.5-22.1000112
129V36.3Very low36Very low124 Ų124136.7 Ų136.775%0.75281%0.806SS**  trans83.8114.9177.7-172.20000114.6
130S32.8Very low35.6Very low101 Ų101135.5 Ų135.571%0.70680%0.798SS**  cis119.4104.2-2810000115.2
131S37.4Very low36.1Very low120 Ų120132.4 Ų132.484%0.83979%0.785SS**  trans-161.1122.5158.60.20000111.1
132C30.8Very low35.9Very low133 Ų133131.3 Ų131.390%0.89978%0.781SS**  trans-149.8139.6171.6-56.70000110.3
133P38Very low36.1Very low132 Ų132131.6 Ų131.686%0.85778%0.783SS**  trans-127.7146.7162.537.1-24.4000113.8
134G36.7Very low36.4Very low80 Ų80129.8 Ų129.883%0.82579%0.786SS**  trans93.395.5164.800000115.9
135D32.9Very low36.2Very low154 Ų154123.6 Ų123.682%0.82478%0.781SS**  trans-137.681.2172.6-160.116.9000108.1
136D32.3Very low36.6Very low161 Ų161122.4 Ų122.486%0.86178%0.784SS**  trans-138.272.4-172-98.9-47.1000110.2
137D34.4Very low36.7Very low140 Ų140121.7 Ų121.775%0.74978%0.78SS**  trans-148.172175.9-131.9-20.8000112.7I139D137-I139 PolarHBondContact O-N 3.44Å; D137-I139 VanDerWaalsContact O-N 3.13Å
138V39.1Very low36.6Very low132 Ų132123.9 Ų123.980%0.878%0.782SS**  trans-82.485.8176-175.70000109.8I140V138-I140 HydrophobicContact CG1-CG1 4.25Å; V138-I140 PolarHBondContact O-N 3.45Å
139I37.2Very low36.5Very low135 Ų135124.9 Ų124.969%0.69279%0.786SS**  trans-71.891179-45.3-179.5000110.7D137 V141D137-I139 PolarHBondContact O-N 3.44Å; D137-I139 VanDerWaalsContact O-N 3.13Å; I139-V141 HydrophobicContact CG2-CG2 3.68Å; I139-V141 PolarHBondContact O-N 2.82Å
140I35.9Very low36.6Very low132 Ų132126.7 Ų126.768%0.67779%0.789SS**  trans-77.3108.1164-55.8178.9000107.6V138V138-I140 HydrophobicContact CG1-CG1 4.25Å; V138-I140 PolarHBondContact O-N 3.45Å
141V44.5Very low36.7Very low100 Ų100131.1 Ų131.161%0.60680%0.796SS**  trans-98.696.1169.6-173.10000108.4I139I139-V141 HydrophobicContact CG2-CG2 3.68Å; I139-V141 PolarHBondContact O-N 2.82Å
142D34.9Very low36.9Very low137 Ų137130.4 Ų130.473%0.73379%0.788SS**PPolyproline II helixtrans-61.2137.2172.6-74.7-45.7000110.8
143S40.4Very low37.2Very low100 Ų100129.9 Ų129.970%0.69978%0.783SS**PPolyproline II helixtrans-84.2126.5178.4-62.50000110.3G145S143-G145 PolarHBondContact O-N 3.32Å
144P40.2Very low37.1Very low130 Ų130128.6 Ų128.684%0.84478%0.778SS**PPolyproline II helixtrans-75.8125-175.929.2-34.2000112.4
145G33.2Very low37.2Very low78 Ų78132.9 Ų132.980%0.80478%0.782SS**  trans82.588.7150.400000118.1S143S143-G145 PolarHBondContact O-N 3.32Å
146S37.5Very low37.3Very low124 Ų124130.6 Ų130.687%0.86778%0.778SS**  trans-124.8112.2144.1178.70000108
147S39.6Very low37.7Very low109 Ų109129.8 Ų129.876%0.76278%0.779SS**  trans-69156.2-170.7-68.80000114.1V149S147-V149 PolarHBondContact O-N 3.2Å
148N33.2Very low38Very low162 Ų162132.2 Ų132.287%0.86679%0.785SS**  trans-54.9128-176.8-55.6-67.2000113.2
149V39Very low38Very low138 Ų138131.9 Ų131.984%0.83679%0.789SS**  trans-120.2117.2159.5179.30000108.2S147S147-V149 PolarHBondContact O-N 3.2Å
150I38.2Very low38Very low162 Ų162130.9 Ų130.983%0.83179%0.794SS**  trans-75.5135.5-176-63.1170.1000109.7
151K35.6Very low37.9Very low194 Ų194131 Ų13184%0.84380%0.804SS**  trans-118.9108.3-176.4-168175.8-173.5176.50110.8
152P40.8Very low37.3Very low105 Ų105129.3 Ų129.368%0.68281%0.808SS**  trans-71.3156.7169.130.8-33.4000110.8
153P38Very low37.3Very low122 Ų122128.5 Ų128.579%0.79281%0.811SS**  trans-80.1164.2-170.132.1-36.2000114.5
154S35.1Very low37.1Very low106 Ų106130.5 Ų130.574%0.74181%0.813SS**  trans-44146.4174.9520000116.7
155N39.5Very low36.9Very low169 Ų169132.9 Ų132.990%0.90481%0.811SS**  trans-144.2152131-108.3-29.4000110.9
156S34.5Very low36.9Very low106 Ų106136.8 Ų136.874%0.74181%0.813SS**  trans-110.4134.5-165.752.40000113.3
157V40.2Very low36.8Very low145 Ų145135.9 Ų135.988%0.87981%0.807SS**  trans-139.1132153.1-179.60000108.7
158Q41.5Very low36.5Very low191 Ų191136.7 Ų136.789%0.89381%0.807SS**  trans-89.2136.9169.1-59.9161.4-74.600109.3
159S38.7Very low36.6Very low124 Ų124133 Ų13387%0.86779%0.794SS**  trans-157.8143.6149.8-164.40000111.2
160S37Very low36.3Very low114 Ų114134.9 Ų134.980%0.79779%0.794SS**  trans-98.3135.7-179.964.20000111.9
161C34.1Very low36.1Very low134 Ų134135 Ų13591%0.90580%0.796SS**  trans-153.8149.2137.4-159.20000108.6
162G32.2Very low36.2Very low65 Ų65133.5 Ų133.567%0.6779%0.792SS**  trans-139.9144.1178.500000111.4
163C34.2Very low35.9Very low120 Ų120135.5 Ų135.581%0.81180%0.797SS**  trans-150.4105.7166.1-97.40000111.7
164L36.5Very low35.8Very low142 Ų142140.9 Ų140.974%0.74380%0.802SS**  trans39.2108.8135-62.5167.8000120.1
165K35.8Very low35.7Very low181 Ų181143.8 Ų143.879%0.78780%0.801SS**  58.1117.4128.7-58.3179.6-178.7-177.10119.4
166N33.4Very low35.6Very low159 Ų159145 Ų14585%0.8580%0.801SS**  -157.5168.899.1-101-10.5000112.4
167S35.4Very low35.5Very low106 Ų106149.2 Ų149.274%0.74181%0.806SS**  trans-49.5161.7-178-46.50000114.5
168T33.1Very low35.6Very low126 Ų126148.2 Ų148.277%0.77380%0.804SS**  cis-160.8165.347.8-56.70000113.5
169S34.8Very low35.8Very low85 Ų85144.5 Ų144.559%0.59480%0.795SS**  trans-42.1164.7173.355.20000117.4
170E32.6Very low35.9Very low176 Ų176145.4 Ų145.482%0.82279%0.789SS**  cis-161.5135.7-9.7-110.2148.2-137.400107.2
171N35.2Very low36.4Very low165 Ų165150.8 Ų150.888%0.88279%0.792SS**  trans-164.9165.8170.6-91.9-56.6000108.8
172E37.1Very low36.6Very low163 Ų163151.4 Ų151.476%0.76279%0.787SS**  trans7168.8-174.6-57.2-74.8145.500116
173D34.8Very low37.2Very low146 Ų146154.3 Ų154.378%0.78179%0.787SS**  trans-148.284.9153.4-168.317.8000113
174W36Very low37.7Very low236 Ų236156.6 Ų156.689%0.89479%0.786SS**  trans-158.424.5162.743.4-94.6000113.6
175K33.4Very low38Very low166 Ų166155.8 Ų155.872%0.72278%0.782SS**  trans-91.1164.3159.7-82.7171.8-177.5149.30109.1
176E36.3Very low38.2Very low195 Ų195152.4 Ų152.491%0.91178%0.78SS**  trans68.362.7167.5-156.2152.9-92.400116.8
177K33.9Very low38.8Very low195 Ų195147.5 Ų147.585%0.84877%0.767SS**  trans-13337.4155-149.5164.3-170.6165.90115
178C40.6Very low39.8Very low124 Ų124146.6 Ų146.684%0.83875%0.754SS**  trans-88.8104.1159.7-64.70000107.8D180C178-D180 PolarHBondContact O-N 2.92Å
179V47.3Very low41Very low113 Ų113145 Ų14569%0.68574%0.739SS**  trans-80.9103.4-179.4-179.10000109.4R181V179-R181 HydrophobicContact CG1-CG 4.46Å; V179-R181 PolarHBondContact O-N 2.93Å
180D40Very low42.6Very low142 Ų142146.6 Ų146.676%0.75974%0.738SS**  trans-62.8132.2169.9-96.7-33.9000110.9C178C178-D180 PolarHBondContact O-N 2.92Å
181R47.1Very low44.6Very low227 Ų227141.8 Ų141.886%0.85772%0.718SS**  trans-132.792.1169.7-77.5-170.9173.2-170.6-2109.4V179V179-R181 HydrophobicContact CG1-CG 4.46Å; V179-R181 PolarHBondContact O-N 2.93Å
182N38.4Very low46.7Very low147 Ų147137 Ų13779%0.78669%0.692SS**  trans-73.7121.9159.4-58.3-54.7000107.8
183N44.8Very low49.1Very low126 Ų126135.5 Ų135.567%0.67468%0.683SS**  -179.3152.6100.3-14018.8000113.2
184E44.4Very low51.6Low169 Ų169133.7 Ų133.779%0.7967%0.665SS**  trans43.191.5149.2-70.9162.3-151.900121
185D42.7Very low54.1Low125 Ų125126.3 Ų126.367%0.66865%0.648SS**  -160.6149.8112.9-170.922.5000111.2G187 D188D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.49Å; D185-D188 PolarHBondContact O-N 2.95Å
186C39.8Very low56.8Low109 Ų109124.1 Ų124.174%0.73664%0.639SS**THydrogen-bonded Turntrans-75.5-16.9-172.9-157.80000113.7D188C186-D188 VanDerWaalsContact C-N 3.32Å
187G47.9Very low59.5Low56 Ų56118.6 Ų118.658%0.57762%0.615SS**THydrogen-bonded Turntrans-72-23.4169.500000113.9D185D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.49Å
188D56.3Low62.3Low87 Ų87109.8 Ų109.847%0.46558%0.577SS.*THydrogen-bonded Turntrans-88.4-11.5-160.2-148.630.8000114.5D185 C186 Q190 N191 D192D185-D188 PolarHBondContact O-N 2.95Å; C186-D188 VanDerWaalsContact C-N 3.32Å; D188-Q190 PolarHBondContact O-N 2.82Å; D188-Q190 VanDerWaalsContact O-N 3.15Å; D188-N191 WeakPolarHBondContact O-CA 3.48Å; D188-N191 WeakPolarHBondContact O-CB 3.31Å; D188-N191 PolarHBondContact O-N 3.07Å; D188-N191 WeakPolarHBondContact OD1-CB 3.36Å; D188-N191 PolarHBondContact OD1-ND2 3.13Å; D188-D192 PolarHBondContact O-N 3.43Å
189I58.2Low64.8Low93 Ų93105.7 Ų105.748%0.47756%0.555SS.*Hα-helixtrans-57.9-33.8-177.5-58.7173.4000112.5K193I189-K193 HydrophobicContact CG2-CD 4.44Å; I189-K193 WeakPolarHBondContact O-CB 3.48Å; I189-K193 VanDerWaalsContact O-CG 3.26Å; I189-K193 WeakPolarHBondContact O-CG 3.27Å; I189-K193 PolarHBondContact O-N 3.01Å
190Q67.2Low67.1Low119 Ų119109.5 Ų109.556%0.55656%0.557SS**Hα-helixtrans-72.8-34.2174.8-65.3-163.914.800112.5D188 R194D188-Q190 PolarHBondContact O-N 2.82Å; D188-Q190 VanDerWaalsContact O-N 3.15Å; Q190-R194 VanDerWaalsContact O-CG 3.32Å; Q190-R194 WeakPolarHBondContact O-CG 3.45Å; Q190-R194 PolarHBondContact O-N 3.33Å
191N74.7Confident69.8Low75 Ų75103.9 Ų103.940%0.40153%0.527SS..Hα-helixtrans-74.7-43.6-179.6-58.9-29.1000110.2D188 K193 R194 C195D188-N191 WeakPolarHBondContact O-CA 3.48Å; D188-N191 WeakPolarHBondContact O-CB 3.31Å; D188-N191 PolarHBondContact O-N 3.07Å; D188-N191 WeakPolarHBondContact OD1-CB 3.36Å; D188-N191 PolarHBondContact OD1-ND2 3.13Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.25Å; N191-R194 CarbonylContact O-C 3.57Å; N191-R194 PolarHBondContact O-N 3.39Å; N191-R194 VanDerWaalsContact O-N 3.1Å; N191-C195 WeakPolarHBondContact O-CB 3.37Å; N191-C195 PolarHBondContact O-N 3.29Å; N191-C195 PolarHBondContact O-SG 2.86Å
192D79.8Confident72.1Confident64 Ų6496.4 Ų96.434%0.34250%0.502SS..Hα-helixtrans-52.9-48.6170173.358.3000111.8D188 R194 C195 K196D188-D192 PolarHBondContact O-N 3.43Å; D192-R194 PolarHBondContact O-N 3.39Å; D192-C195 PolarHBondContact O-N 3.48Å; D192-K196 WeakPolarHBondContact O-CB 3.3Å; D192-K196 WeakPolarHBondContact O-CG 3.35Å; D192-K196 PolarHBondContact O-N 3.47Å; D192-K196 WeakPolarHBondContact OD1-CD 3.29Å; D192-K196 WeakPolarHBondContact OD1-CE 3.37Å; D192-K196 IonicContact OD1-NZ 3.45Å; D192-K196 PolarHBondContact OD1-NZ 3.19Å; D192-K196 IonicContact OD2-NZ 2.69Å; D192-K196 PolarHBondContact OD2-NZ 2.73Å
193K87.2Confident74.8Confident131 Ų13193 Ų9357%0.5749%0.489SS*.Hα-helixtrans-58.3-46.8174-76.4174.3-180-177.70112.2I189 N191 K196 I197I189-K193 HydrophobicContact CG2-CD 4.44Å; I189-K193 WeakPolarHBondContact O-CB 3.48Å; I189-K193 VanDerWaalsContact O-CG 3.26Å; I189-K193 WeakPolarHBondContact O-CG 3.27Å; I189-K193 PolarHBondContact O-N 3.01Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.25Å; K193-K196 PolarHBondContact O-N 3.06Å; K193-I197 VanDerWaalsContact O-CG1 3.29Å; K193-I197 WeakPolarHBondContact O-CG1 3.48Å; K193-I197 PolarHBondContact O-N 3.21Å
194R87Confident77.3Confident109 Ų10989.9 Ų89.941%0.41147%0.472SS..Hα-helixtrans-61.2-45.6176.3-73.8173.9-174.4112.910.2111.5Q190 N191 D192 K196 I197 L198Q190-R194 VanDerWaalsContact O-CG 3.32Å; Q190-R194 WeakPolarHBondContact O-CG 3.45Å; Q190-R194 PolarHBondContact O-N 3.33Å; N191-R194 CarbonylContact O-C 3.57Å; N191-R194 PolarHBondContact O-N 3.39Å; N191-R194 VanDerWaalsContact O-N 3.1Å; D192-R194 PolarHBondContact O-N 3.39Å; R194-K196 PolarHBondContact O-N 3.39Å; R194-I197 PolarHBondContact O-N 2.87Å; R194-L198 WeakPolarHBondContact O-CB 3.39Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.29Å; R194-L198 PolarHBondContact O-N 3.38Å
195C88.2Confident79.8Confident80 Ų8082.9 Ų82.954%0.54144%0.44SS..Hα-helixtrans-61.8-42.4177-70.70000112.4N191 D192 I197 L198 G199N191-C195 WeakPolarHBondContact O-CB 3.37Å; N191-C195 PolarHBondContact O-N 3.29Å; N191-C195 PolarHBondContact O-SG 2.86Å; D192-C195 PolarHBondContact O-N 3.48Å; C195-I197 VanDerWaalsContact C-N 3.34Å; C195-I197 PolarHBondContact O-N 3.18Å; C195-L198 PolarHBondContact O-N 3.39Å; C195-G199 PolarHBondContact O-N 3.45Å
196K91.7Very high82.4Confident120 Ų12081.5 Ų81.552%0.52244%0.436SS..Hα-helixtrans-65.2-34.4175.1-77167.5175156.80112.6D192 K193 R194 R200D192-K196 WeakPolarHBondContact O-CB 3.3Å; D192-K196 WeakPolarHBondContact O-CG 3.35Å; D192-K196 PolarHBondContact O-N 3.47Å; D192-K196 WeakPolarHBondContact OD1-CD 3.29Å; D192-K196 WeakPolarHBondContact OD1-CE 3.37Å; D192-K196 IonicContact OD1-NZ 3.45Å; D192-K196 PolarHBondContact OD1-NZ 3.19Å; D192-K196 IonicContact OD2-NZ 2.69Å; D192-K196 PolarHBondContact OD2-NZ 2.73Å; K193-K196 PolarHBondContact O-N 3.06Å; R194-K196 PolarHBondContact O-N 3.39Å; K196-R200 VanDerWaalsContact O-CG 3.28Å; K196-R200 WeakPolarHBondContact O-CG 3.45Å; K196-R200 PolarHBondContact O-N 2.84Å
197I92.3Very high85.2Confident80 Ų8083.9 Ų83.941%0.4143%0.429SS..Hα-helixtrans-70.7-45.4171.9-64.6162.5000110.6K193 R194 C195 G199 R200 L201 L252K193-I197 VanDerWaalsContact O-CG1 3.29Å; K193-I197 WeakPolarHBondContact O-CG1 3.48Å; K193-I197 PolarHBondContact O-N 3.21Å; R194-I197 PolarHBondContact O-N 2.87Å; C195-I197 VanDerWaalsContact C-N 3.34Å; C195-I197 PolarHBondContact O-N 3.18Å; I197-G199 PolarHBondContact O-N 2.86Å; I197-R200 WeakPolarHBondContact O-CB 3.42Å; I197-R200 PolarHBondContact O-N 3.4Å; I197-R200 VanDerWaalsContact O-N 3.14Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 WeakPolarHBondContact O-CG 3.26Å; I197-L201 PolarHBondContact O-N 3.28Å; I197-L252 HydrophobicContact CG2-CD1 3.57Å
198L92.4Very high87.6Confident10 Ų1081.8 Ų81.85%0.05241%0.405CS..Hα-helixtrans-58.9-45.5178.3-73.6170.3000112.3R194 C195 R200 L201 E202 L252 R253R194-L198 WeakPolarHBondContact O-CB 3.39Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.29Å; R194-L198 PolarHBondContact O-N 3.38Å; C195-L198 PolarHBondContact O-N 3.39Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.82Å; L198-L201 PolarHBondContact O-N 3.24Å; L198-L201 VanDerWaalsContact O-N 3.14Å; L198-E202 WeakPolarHBondContact O-CG 3.3Å; L198-E202 PolarHBondContact O-N 2.9Å; L198-L252 HydrophobicContact CD2-CB 3.7Å; L198-L252 HydrophobicContact CG-CB 4.33Å; L198-R253 HydrophobicContact CD1-CG 3.73Å; L198-R253 HydrophobicContact CD2-CG 3.59Å; L198-R253 HydrophobicContact CG-CG 4.32Å
199G93.3Very high89.5Confident37 Ų3779.7 Ų79.738%0.38140%0.397SS..Hα-helixtrans-63.4-33.5175.500000113.5C195 I197 C203C195-G199 PolarHBondContact O-N 3.45Å; I197-G199 PolarHBondContact O-N 2.86Å; G199-C203 VanDerWaalsContact O-CB 3.32Å; G199-C203 WeakPolarHBondContact O-CB 3.5Å; G199-C203 PolarHBondContact O-N 2.91Å
200R95.5Very high91.4Very high193 Ų19380.6 Ų80.673%0.72840%0.399SS*.Hα-helixtrans-67.2-40.5171.6-73.5171.7-179.6-165.10.4112K196 I197 L198 L204K196-R200 VanDerWaalsContact O-CG 3.28Å; K196-R200 WeakPolarHBondContact O-CG 3.45Å; K196-R200 PolarHBondContact O-N 2.84Å; I197-R200 WeakPolarHBondContact O-CB 3.42Å; I197-R200 PolarHBondContact O-N 3.4Å; I197-R200 VanDerWaalsContact O-N 3.14Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.82Å; R200-L204 WeakPolarHBondContact O-CB 3.21Å; R200-L204 PolarHBondContact O-N 2.94Å
201L96.1Very high92.8Very high24 Ų2476.4 Ų76.413%0.12638%0.384CS..Hα-helixtrans-67.8-40.7176.6-65.7168.8000111.6I197 L198 L204 M205 V245 R248 H249 L252I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 WeakPolarHBondContact O-CG 3.26Å; I197-L201 PolarHBondContact O-N 3.28Å; L198-L201 PolarHBondContact O-N 3.24Å; L198-L201 VanDerWaalsContact O-N 3.14Å; L201-L204 PolarHBondContact O-N 3.38Å; L201-M205 WeakPolarHBondContact O-CB 3.26Å; L201-M205 VanDerWaalsContact O-CG 3.32Å; L201-M205 WeakPolarHBondContact O-CG 3.14Å; L201-M205 PolarHBondContact O-N 3.21Å; L201-V245 HydrophobicContact CB-CG1 4.18Å; L201-V245 HydrophobicContact CD2-CG1 3.77Å; L201-R248 HydrophobicContact CD1-CG 4.22Å; L201-H249 HydrophobicContact CD1-CB 4.46Å; L201-L252 HydrophobicContact CD1-CD1 3.59Å
202E95.8Very high93.9Very high71 Ų7173.5 Ų73.533%0.33237%0.369SS..Hα-helixtrans-64.6-41.3175.9-72.7165.6-176.600111.8L198 M205 T206 H249 R253L198-E202 WeakPolarHBondContact O-CG 3.3Å; L198-E202 PolarHBondContact O-N 2.9Å; E202-M205 PolarHBondContact O-N 3.44Å; E202-T206 WeakPolarHBondContact O-CB 3.36Å; E202-T206 PolarHBondContact O-N 3.42Å; E202-T206 PolarHBondContact O-OG1 3.27Å; E202-H249 VanDerWaalsContact CG-NE2 3.3Å; E202-H249 WeakPolarHBondContact CG-NE2 3.33Å; E202-H249 IonicContact OE1-CD2 3.57Å; E202-H249 IonicContact OE1-CE1 2.74Å; E202-H249 IonicContact OE1-NE2 3.72Å; E202-H249 PolarHBondContact OE1-NE2 2.93Å; E202-R253 IonicContact OE1-CZ 2.58Å; E202-R253 IonicContact OE1-NE 3.21Å; E202-R253 PolarHBondContact OE1-NE 2.92Å; E202-R253 IonicContact OE1-NH2 3.68Å; E202-R253 PolarHBondContact OE1-NH2 2.9Å; E202-R253 IonicContact OE2-NH2 3.97Å
203C96.4Very high94.8Very high74 Ų7476.5 Ų76.550%0.538%0.375SS..Hα-helixtrans-62.7-43.6171.1-179.20000112G199 T206 R207G199-C203 VanDerWaalsContact O-CB 3.32Å; G199-C203 WeakPolarHBondContact O-CB 3.5Å; G199-C203 PolarHBondContact O-N 2.91Å; C203-T206 WeakPolarHBondContact O-CB 3.48Å; C203-T206 PolarHBondContact O-N 2.88Å; C203-R207 WeakPolarHBondContact O-CG 3.3Å; C203-R207 PolarHBondContact O-N 3.02Å
204L96.8Very high95.2Very high62 Ų6275.4 Ų75.433%0.32537%0.372SS..Hα-helixtrans-64.9-43177.2179.358.6000112.2R200 L201 T206 R207 L208 V245R200-L204 WeakPolarHBondContact O-CB 3.21Å; R200-L204 PolarHBondContact O-N 2.94Å; L201-L204 PolarHBondContact O-N 3.38Å; L204-T206 VanDerWaalsContact C-N 3.31Å; L204-T206 PolarHBondContact O-N 3.46Å; L204-R207 PolarHBondContact O-N 3.48Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 3.95Å; L204-L208 HydrophobicContact CG-CG 4.47Å; L204-L208 WeakPolarHBondContact O-CB 3.37Å; L204-L208 VanDerWaalsContact O-CG 3.28Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.39Å; L204-V245 HydrophobicContact CB-CG1 4.43Å; L204-V245 HydrophobicContact CD2-CG1 4.07Å; L204-V245 HydrophobicContact CD2-CG2 3.65Å; L204-V245 HydrophobicContact CG-CG1 4.26Å; L204-V245 HydrophobicContact CG-CG2 4.15Å
205M97Very high95.7Very high22 Ų2272 Ų7211%0.10836%0.362CS..Hα-helixtrans-59.7-41.8173-74.5172.463.200111.4L201 E202 L208 S209 Y242 V245 W246 H249L201-M205 WeakPolarHBondContact O-CB 3.26Å; L201-M205 VanDerWaalsContact O-CG 3.32Å; L201-M205 WeakPolarHBondContact O-CG 3.14Å; L201-M205 PolarHBondContact O-N 3.21Å; E202-M205 PolarHBondContact O-N 3.44Å; M205-L208 PolarHBondContact O-N 2.83Å; M205-S209 WeakPolarHBondContact O-CB 3.18Å; M205-S209 PolarHBondContact O-N 3.24Å; M205-Y242 HydrophobicContact CB-CD2 4.31Å; M205-Y242 HydrophobicContact CB-CE2 3.8Å; M205-Y242 HydrophobicContact CE-CE1 4.27Å; M205-Y242 HydrophobicContact CE-CE2 4.17Å; M205-Y242 WeakPolarHBondContact CE-OH 3.44Å; M205-Y242 HydrophobicContact CG-CD2 4.45Å; M205-Y242 HydrophobicContact CG-CE2 4.16Å; M205-Y242 WeakPolarHBondContact O-CE2 3.41Å; M205-V245 HydrophobicContact CG-CB 4.16Å; M205-V245 HydrophobicContact CG-CG1 3.53Å; M205-V245 HydrophobicContact SD-CG1 4.26Å; M205-W246 HydrophobicContact CE-CB 4.13Å; M205-W246 HydrophobicContact CE-CG 4.43Å; M205-W246 HydrophobicContact SD-CB 4.44Å; M205-H249 HydrophobicContact SD-CB 4.23Å
206T97.7Very high96.1Very high96 Ų9670.1 Ų70.159%0.58935%0.345SS*.Hα-helixtrans-61.3-48.1176.6-550000111.3E202 C203 L204 S209 Q210E202-T206 WeakPolarHBondContact O-CB 3.36Å; E202-T206 PolarHBondContact O-N 3.42Å; E202-T206 PolarHBondContact O-OG1 3.27Å; C203-T206 WeakPolarHBondContact O-CB 3.48Å; C203-T206 PolarHBondContact O-N 2.88Å; L204-T206 VanDerWaalsContact C-N 3.31Å; L204-T206 PolarHBondContact O-N 3.46Å; T206-S209 PolarHBondContact O-N 2.92Å; T206-Q210 PolarHBondContact O-N 2.76Å
207R97.5Very high96.3Very high159 Ų15969.7 Ų69.760%0.635%0.345SS*.Hα-helixtrans-63.3-41.2177-71.5177.763.7-170.3-2.6113C203 L204 Q210 A211C203-R207 WeakPolarHBondContact O-CG 3.3Å; C203-R207 PolarHBondContact O-N 3.02Å; L204-R207 PolarHBondContact O-N 3.48Å; R207-Q210 PolarHBondContact O-N 2.99Å; R207-A211 PolarHBondContact O-N 3.44Å
208L97.7Very high96.5Very high12 Ų1270.1 Ų70.16%0.06334%0.344CS..Hα-helixtrans-65.4-41.3175-72.6168.9000111.3L204 M205 Q210 A211 I212 L238 Q241 Y242 V245L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 3.95Å; L204-L208 HydrophobicContact CG-CG 4.47Å; L204-L208 WeakPolarHBondContact O-CB 3.37Å; L204-L208 VanDerWaalsContact O-CG 3.28Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.39Å; M205-L208 PolarHBondContact O-N 2.83Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.25Å; L208-A211 PolarHBondContact O-N 3.44Å; L208-I212 WeakPolarHBondContact O-CB 3.41Å; L208-I212 WeakPolarHBondContact O-CD1 3.49Å; L208-I212 WeakPolarHBondContact O-CG1 3.28Å; L208-I212 PolarHBondContact O-N 3.25Å; L208-L238 HydrophobicContact CD2-CD2 3.98Å; L208-Q241 HydrophobicContact CD1-CB 4.5Å; L208-Q241 HydrophobicContact CD1-CG 3.98Å; L208-Q241 HydrophobicContact CD2-CB 4.43Å; L208-Q241 HydrophobicContact CD2-CG 4.16Å; L208-Y242 HydrophobicContact CB-CD2 4.02Å; L208-V245 HydrophobicContact CD1-CG2 4Å
209S97.4Very high96.6Very high42 Ų4278.1 Ų78.129%0.29438%0.381SS..Hα-helixtrans-64.5-34.1176-1730000112.7M205 T206 R213M205-S209 WeakPolarHBondContact O-CB 3.18Å; M205-S209 PolarHBondContact O-N 3.24Å; T206-S209 PolarHBondContact O-N 2.92Å; S209-R213 WeakPolarHBondContact O-CG 3.41Å; S209-R213 PolarHBondContact O-N 3.45Å
210Q97.7Very high96.7Very high113 Ų11379.3 Ų79.353%0.52838%0.378SS..Hα-helixtrans-67.4-52.4173.1-179.3-178.3-20.900110.9T206 R207 L208 I212 R213 E214T206-Q210 PolarHBondContact O-N 2.76Å; R207-Q210 PolarHBondContact O-N 2.99Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.25Å; Q210-I212 PolarHBondContact O-N 3.06Å; Q210-R213 WeakPolarHBondContact O-CB 3.5Å; Q210-R213 PolarHBondContact O-N 3.47Å; Q210-E214 HydrophobicContact CG-CG 4.48Å; Q210-E214 VanDerWaalsContact CG-OE1 3.32Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.43Å; Q210-E214 PolarHBondContact NE2-OE1 2.89Å; Q210-E214 WeakPolarHBondContact O-CG 3.23Å; Q210-E214 PolarHBondContact O-N 2.9Å
211A97.4Very high96.6Very high30 Ų3073.8 Ų73.825%0.24836%0.363CS..Hα-helixtrans-62.8-27.8179.800000113.3R207 L208 L215 L238R207-A211 PolarHBondContact O-N 3.44Å; L208-A211 PolarHBondContact O-N 3.44Å; A211-L215 WeakPolarHBondContact O-CG 3.43Å; A211-L215 PolarHBondContact O-N 3.47Å; A211-L238 HydrophobicContact CB-CD1 3.73Å
212I97.8Very high96.5Very high14 Ų1481 Ų817%0.07239%0.394CS..Hα-helixtrans-65.1-46.3170.2-74.1161.8000110.6L208 Q210 L215 E216 L238 K239L208-I212 WeakPolarHBondContact O-CB 3.41Å; L208-I212 WeakPolarHBondContact O-CD1 3.49Å; L208-I212 WeakPolarHBondContact O-CG1 3.28Å; L208-I212 PolarHBondContact O-N 3.25Å; Q210-I212 PolarHBondContact O-N 3.06Å; I212-L215 PolarHBondContact O-N 2.91Å; I212-E216 HydrophobicContact CG2-CG 4.28Å; I212-E216 WeakPolarHBondContact O-CG 3.35Å; I212-E216 PolarHBondContact O-N 2.8Å; I212-L238 HydrophobicContact CD1-CB 4.26Å; I212-L238 HydrophobicContact CG1-CB 3.69Å; I212-L238 HydrophobicContact CG1-CD1 4.37Å; I212-K239 HydrophobicContact CD1-CG 3.82Å; I212-K239 HydrophobicContact CG1-CG 4.15Å; I212-K239 VanDerWaalsContact CG2-CE 3.49Å; I212-K239 HydrophobicContact CG2-CG 4.25Å
213R97.3Very high96.3Very high127 Ų12783.4 Ų83.448%0.47941%0.409SS..Hα-helixtrans-64-42.5178.3-69.6-178.9172.8178.9-4.8112.5S209 Q210 L215 E216 E217S209-R213 WeakPolarHBondContact O-CG 3.41Å; S209-R213 PolarHBondContact O-N 3.45Å; Q210-R213 WeakPolarHBondContact O-CB 3.5Å; Q210-R213 PolarHBondContact O-N 3.47Å; R213-L215 PolarHBondContact O-N 2.9Å; R213-E216 PolarHBondContact O-N 3.5Å; R213-E217 WeakPolarHBondContact O-CB 3.35Å; R213-E217 PolarHBondContact O-N 3.41Å
214E97.1Very high96.2Very high108 Ų10882.9 Ų82.951%0.50540%0.399SS..Hα-helixtrans-60.2-27.8175.7-68.8169.1179.700112.6Q210Q210-E214 HydrophobicContact CG-CG 4.48Å; Q210-E214 VanDerWaalsContact CG-OE1 3.32Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.43Å; Q210-E214 PolarHBondContact NE2-OE1 2.89Å; Q210-E214 WeakPolarHBondContact O-CG 3.23Å; Q210-E214 PolarHBondContact O-N 2.9Å
215L96.5Very high95.9Very high37 Ų3785 Ų8519%0.19441%0.41CS..Hα-helixtrans-89.2-25.7172-66.7179.7000113.9A211 I212 R213 E217 P231 K234 L235 L238A211-L215 WeakPolarHBondContact O-CG 3.43Å; A211-L215 PolarHBondContact O-N 3.47Å; I212-L215 PolarHBondContact O-N 2.91Å; R213-L215 PolarHBondContact O-N 2.9Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-P231 HydrophobicContact CD2-CB 4.16Å; L215-K234 HydrophobicContact CD1-CB 3.64Å; L215-L235 HydrophobicContact CB-CB 4.15Å; L215-L235 HydrophobicContact CD1-CB 4.28Å; L215-L238 HydrophobicContact CD1-CD1 3.77Å
216E96.8Very high95.7Very high41 Ų4191.2 Ų91.219%0.19244%0.444CS..Hα-helixtrans-71.6-28.2172.4-75.6171.7153.700112.2I212 R213 L235 K239 H347 L348I212-E216 HydrophobicContact CG2-CG 4.28Å; I212-E216 WeakPolarHBondContact O-CG 3.35Å; I212-E216 PolarHBondContact O-N 2.8Å; R213-E216 PolarHBondContact O-N 3.5Å; E216-L235 HydrophobicContact CB-CD1 4.43Å; E216-L235 HydrophobicContact CG-CD1 3.49Å; E216-L235 VanDerWaalsContact CG-CD1 3.49Å; E216-L235 HydrophobicContact CG-CG 4.4Å; E216-K239 WeakPolarHBondContact OE1-CE 3.44Å; E216-K239 IonicContact OE1-NZ 3.48Å; E216-K239 PolarHBondContact OE1-NZ 3.09Å; E216-H347 IonicContact OE2-CE1 3Å; E216-H347 IonicContact OE2-ND1 2.78Å; E216-L348 WeakPolarHBondContact O-CD1 3.37Å
217E96.6Very high95.4Very high112 Ų11288.7 Ų88.752%0.52343%0.431SS..SBendtrans-84.5-12.9175.2-75.8165.7-146.300113.7R213 L215 E219 H347 L348R213-E217 WeakPolarHBondContact O-CB 3.35Å; R213-E217 PolarHBondContact O-N 3.41Å; L215-E217 VanDerWaalsContact C-N 3.33Å; E217-E219 PolarHBondContact O-N 2.97Å; E217-H347 IonicContact OE1-CD2 2.71Å; E217-H347 IonicContact OE1-CE1 3.24Å; E217-H347 IonicContact OE1-NE2 3.36Å; E217-H347 PolarHBondContact OE1-NE2 3.24Å; E217-L348 HydrophobicContact CG-CD1 4.16Å; E217-L348 HydrophobicContact CG-CD2 3.96Å; E217-L348 HydrophobicContact CG-CG 4.49Å
218K95.5Very high95.1Very high88 Ų8886.6 Ų86.638%0.38344%0.44SS..  trans-80.5121.2-177.7-179.9157.6-171.6-103.10111.9L220 E224 P231K218-L220 WeakPolarHBondContact O-CD1 3.34Å; K218-E224 IonicContact NZ-OE1 2.62Å; K218-E224 PolarHBondContact NZ-OE1 2.92Å; K218-E224 IonicContact NZ-OE2 2.95Å; K218-E224 PolarHBondContact NZ-OE2 3.05Å; K218-P231 HydrophobicContact CB-CB 4.44Å; K218-P231 HydrophobicContact CD-CB 4.36Å; K218-P231 HydrophobicContact CD-CG 3.84Å; K218-P231 HydrophobicContact CG-CB 4.37Å; K218-P231 HydrophobicContact CG-CG 4.07Å
219E95.4Very high94.8Very high179 Ų17990.9 Ų90.984%0.83646%0.463SS*.  trans-65.4142.9167.2-59.6-176.9171.100111.6E217E217-E219 PolarHBondContact O-N 2.97Å
220L94.7Very high94.6Very high61 Ų6189.1 Ų89.132%0.31945%0.451SS..  trans-109.4137.8174.5-73.479.7000109.8K218 E224 L225 P231K218-L220 WeakPolarHBondContact O-CD1 3.34Å; L220-E224 HydrophobicContact CB-CB 4.36Å; L220-E224 HydrophobicContact CG-CB 4.42Å; L220-L225 HydrophobicContact CB-CD2 4.33Å; L220-L225 HydrophobicContact CB-CG 4.26Å; L220-L225 HydrophobicContact CD2-CD2 3.87Å; L220-L225 HydrophobicContact CD2-CG 4.37Å; L220-P231 HydrophobicContact CD1-CB 4.19Å; L220-P231 HydrophobicContact CD1-CG 4.25Å; L220-P231 HydrophobicContact CG-CB 4.46Å; L220-P231 HydrophobicContact CG-CG 4.06Å
221D93.9Very high94.5Very high78 Ų7884 Ų8442%0.41743%0.427SS..  trans-90.3177.3165.185.5-7.7000111.3N223 E224 L225D221-N223 VanDerWaalsContact C-N 3.26Å; D221-N223 PolarHBondContact O-N 2.9Å; D221-N223 WeakPolarHBondContact OD1-CA 3.28Å; D221-N223 WeakPolarHBondContact OD1-CB 3.3Å; D221-N223 PolarHBondContact OD1-N 2.9Å; D221-N223 PolarHBondContact OD2-ND2 3.17Å; D221-E224 PolarHBondContact O-N 2.81Å; D221-E224 PolarHBondContact OD1-N 3Å; D221-L225 WeakPolarHBondContact O-CG 3.48Å; D221-L225 PolarHBondContact O-N 3.21Å
222F93.4Very high94.4Very high174 Ų17490.1 Ų90.176%0.76345%0.445SS*.Hα-helixtrans-63.3-29179.5-63.4-69000113.6L225 D226F222-L225 HydrophobicContact CD1-CD1 4.3Å; F222-D226 PolarHBondContact O-N 3.49Å
223N91.9Very high94.3Very high123 Ų12393.4 Ų93.466%0.65846%0.462SS*.Hα-helixtrans-76.5-35.4179.1-48.5-74.4000111.2D221 S227D221-N223 VanDerWaalsContact C-N 3.26Å; D221-N223 PolarHBondContact O-N 2.9Å; D221-N223 WeakPolarHBondContact OD1-CA 3.28Å; D221-N223 WeakPolarHBondContact OD1-CB 3.3Å; D221-N223 PolarHBondContact OD1-N 2.9Å; D221-N223 PolarHBondContact OD2-ND2 3.17Å; N223-S227 PolarHBondContact O-N 3.41Å
224E93.3Very high94.2Very high62 Ų6291.3 Ų91.329%0.2946%0.457SS..Hα-helixtrans-73.8-29.5174.1-71.4-159.2175.700112.8K218 L220 D221 S227 S230 P231K218-E224 IonicContact NZ-OE1 2.62Å; K218-E224 PolarHBondContact NZ-OE1 2.92Å; K218-E224 IonicContact NZ-OE2 2.95Å; K218-E224 PolarHBondContact NZ-OE2 3.05Å; L220-E224 HydrophobicContact CB-CB 4.36Å; L220-E224 HydrophobicContact CG-CB 4.42Å; D221-E224 PolarHBondContact O-N 2.81Å; D221-E224 PolarHBondContact OD1-N 3Å; E224-S227 WeakPolarHBondContact O-CB 3.5Å; E224-S227 PolarHBondContact O-N 2.87Å; E224-S230 WeakPolarHBondContact O-CB 3.3Å; E224-P231 WeakPolarHBondContact OE2-CD 3.41Å; E224-P231 WeakPolarHBondContact OE2-CG 3.39Å
225L92.1Very high94.1Very high106 Ų10687.3 Ų87.356%0.55544%0.438SS*.Hα-helixtrans-62.2-43.2173.5-77.1169.9000112.3L220 D221 F222 S227L220-L225 HydrophobicContact CB-CD2 4.33Å; L220-L225 HydrophobicContact CB-CG 4.26Å; L220-L225 HydrophobicContact CD2-CD2 3.87Å; L220-L225 HydrophobicContact CD2-CG 4.37Å; D221-L225 WeakPolarHBondContact O-CG 3.48Å; D221-L225 PolarHBondContact O-N 3.21Å; F222-L225 HydrophobicContact CD1-CD1 4.3Å; L225-S227 VanDerWaalsContact C-N 3.25Å; L225-S227 PolarHBondContact O-N 3.07Å
226D91.7Very high94.1Very high153 Ų15387.4 Ų87.482%0.81844%0.439SS*.SBendtrans-79.3-4.8176.6-69.6-19.6000113.2F222F222-D226 PolarHBondContact O-N 3.49Å
227S92.4Very high94.1Very high44 Ų4489.8 Ų89.831%0.30846%0.456SS..  trans-81.8126.1-176.4-1680000112.7N223 E224 L225 N229 S230N223-S227 PolarHBondContact O-N 3.41Å; E224-S227 WeakPolarHBondContact O-CB 3.5Å; E224-S227 PolarHBondContact O-N 2.87Å; L225-S227 VanDerWaalsContact C-N 3.25Å; L225-S227 PolarHBondContact O-N 3.07Å; S227-N229 PolarHBondContact O-N 3.26Å; S227-N229 PolarHBondContact OG-N 3.02Å; S227-S230 VanDerWaalsContact O-CB 3.28Å; S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.14Å
228S91.4Very high94.1Very high115 Ų11586 Ų8680%0.80444%0.44SS*.THydrogen-bonded Turntrans-60.2-12.8168.159.60000114
229N90.2Very high94.2Very high102 Ų10285.4 Ų85.455%0.54544%0.437SS..THydrogen-bonded Turntrans-109.622.4177.7-163.229.4000112.1S227 K234S227-N229 PolarHBondContact O-N 3.26Å; S227-N229 PolarHBondContact OG-N 3.02Å; N229-K234 VanDerWaalsContact CG-NZ 3.31Å; N229-K234 PolarHBondContact ND2-NZ 3.12Å; N229-K234 WeakPolarHBondContact O-CE 3.38Å; N229-K234 PolarHBondContact O-NZ 3.34Å; N229-K234 WeakPolarHBondContact OD1-CE 3.46Å; N229-K234 PolarHBondContact OD1-NZ 3.33Å
230S93.9Very high94.3Very high4 Ų481.3 Ų81.33%0.02841%0.414CS..  trans-61.2156.9-176.5740000113.9E224 S227 Y232 L233 K234E224-S230 WeakPolarHBondContact O-CB 3.3Å; S227-S230 VanDerWaalsContact O-CB 3.28Å; S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.14Å; S230-Y232 PolarHBondContact O-N 3.43Å; S230-L233 PolarHBondContact O-N 3.42Å; S230-L233 WeakPolarHBondContact OG-CG 3.36Å; S230-L233 PolarHBondContact OG-N 2.97Å; S230-L233 VanDerWaalsContact OG-N 3.09Å; S230-K234 WeakPolarHBondContact O-CG 3.46Å; S230-K234 PolarHBondContact O-N 3.47Å
231P94.8Very high94.4Very high5 Ų581.4 Ų81.43%0.03241%0.413CS..Hα-helixtrans-55.7-38.8171.2-24.334.1000112.4L215 K218 L220 E224 K234 L235L215-P231 HydrophobicContact CD2-CB 4.16Å; K218-P231 HydrophobicContact CB-CB 4.44Å; K218-P231 HydrophobicContact CD-CB 4.36Å; K218-P231 HydrophobicContact CD-CG 3.84Å; K218-P231 HydrophobicContact CG-CB 4.37Å; K218-P231 HydrophobicContact CG-CG 4.07Å; L220-P231 HydrophobicContact CD1-CB 4.19Å; L220-P231 HydrophobicContact CD1-CG 4.25Å; L220-P231 HydrophobicContact CG-CB 4.46Å; L220-P231 HydrophobicContact CG-CG 4.06Å; E224-P231 WeakPolarHBondContact OE2-CD 3.41Å; E224-P231 WeakPolarHBondContact OE2-CG 3.39Å; P231-K234 PolarHBondContact O-N 2.9Å; P231-L235 VanDerWaalsContact O-CB 3.25Å; P231-L235 WeakPolarHBondContact O-CB 3.45Å; P231-L235 PolarHBondContact O-N 3.45Å
232Y95.4Very high94.6Very high160 Ų16081.2 Ų81.263%0.62741%0.407SS*.Hα-helixtrans-65.6-42-179.5-176.9-103000112.9S230 L235 D236S230-Y232 PolarHBondContact O-N 3.43Å; Y232-L235 WeakPolarHBondContact O-CB 3.5Å; Y232-L235 PolarHBondContact O-N 3.5Å; Y232-D236 PolarHBondContact O-N 3.04Å
233L95.5Very high94.7Very high82 Ų8276.7 Ų76.743%0.42939%0.39SS..Hα-helixtrans-71.3-37.7175.9-67.6168.7000111.7S230 L235 D236 V237S230-L233 PolarHBondContact O-N 3.42Å; S230-L233 WeakPolarHBondContact OG-CG 3.36Å; S230-L233 PolarHBondContact OG-N 2.97Å; S230-L233 VanDerWaalsContact OG-N 3.09Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L233-L235 PolarHBondContact O-N 2.92Å; L233-D236 PolarHBondContact O-N 2.82Å; L233-V237 WeakPolarHBondContact O-CG2 3.5Å; L233-V237 PolarHBondContact O-N 3.08Å; L233-V237 VanDerWaalsContact O-N 3.14Å
234K95.7Very high94.9Very high84 Ų8478 Ų7837%0.36539%0.39SS..Hα-helixtrans-59.9-41.2171.7-75.2165.8172.1142.90112.1L215 N229 S230 P231 D236 V237 L238L215-K234 HydrophobicContact CD1-CB 3.64Å; N229-K234 VanDerWaalsContact CG-NZ 3.31Å; N229-K234 PolarHBondContact ND2-NZ 3.12Å; N229-K234 WeakPolarHBondContact O-CE 3.38Å; N229-K234 PolarHBondContact O-NZ 3.34Å; N229-K234 WeakPolarHBondContact OD1-CE 3.46Å; N229-K234 PolarHBondContact OD1-NZ 3.33Å; S230-K234 WeakPolarHBondContact O-CG 3.46Å; S230-K234 PolarHBondContact O-N 3.47Å; P231-K234 PolarHBondContact O-N 2.9Å; K234-D236 PolarHBondContact O-N 3.02Å; K234-V237 PolarHBondContact O-N 3.02Å; K234-L238 WeakPolarHBondContact O-CG 3.31Å; K234-L238 PolarHBondContact O-N 2.94Å
235L96.2Very high95.1Very high23 Ų2375.7 Ų75.712%0.1238%0.38CS..Hα-helixtrans-60.1-41.7177.6168.2165000111.7L215 E216 P231 Y232 L233 L238 K239L215-L235 HydrophobicContact CB-CB 4.15Å; L215-L235 HydrophobicContact CD1-CB 4.28Å; E216-L235 HydrophobicContact CB-CD1 4.43Å; E216-L235 HydrophobicContact CG-CD1 3.49Å; E216-L235 VanDerWaalsContact CG-CD1 3.49Å; E216-L235 HydrophobicContact CG-CG 4.4Å; P231-L235 VanDerWaalsContact O-CB 3.25Å; P231-L235 WeakPolarHBondContact O-CB 3.45Å; P231-L235 PolarHBondContact O-N 3.45Å; Y232-L235 WeakPolarHBondContact O-CB 3.5Å; Y232-L235 PolarHBondContact O-N 3.5Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L233-L235 PolarHBondContact O-N 2.92Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-K239 HydrophobicContact CD2-CD 3.83Å; L235-K239 HydrophobicContact CG-CD 4.43Å; L235-K239 WeakPolarHBondContact O-CB 3.14Å; L235-K239 VanDerWaalsContact O-CG 3.32Å; L235-K239 WeakPolarHBondContact O-CG 3.28Å; L235-K239 PolarHBondContact O-N 2.98Å
236D95.8Very high95.2Very high40 Ų4073.2 Ų73.221%0.21436%0.363CS..Hα-helixtrans-65.2-43.9173.4178.359.2000111.9Y232 L233 K234 L238 K239 R240Y232-D236 PolarHBondContact O-N 3.04Å; L233-D236 PolarHBondContact O-N 2.82Å; K234-D236 PolarHBondContact O-N 3.02Å; D236-L238 PolarHBondContact O-N 3.33Å; D236-K239 PolarHBondContact O-N 2.97Å; D236-R240 VanDerWaalsContact CG-NE 3.31Å; D236-R240 VanDerWaalsContact CG-NH2 3.32Å; D236-R240 WeakPolarHBondContact O-CG 3.31Å; D236-R240 PolarHBondContact O-N 3.23Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.11Å; D236-R240 PolarHBondContact OD1-NE 3.4Å; D236-R240 IonicContact OD1-NH2 2.72Å; D236-R240 PolarHBondContact OD1-NH2 2.92Å; D236-R240 VanDerWaalsContact OD1-NH2 3.11Å; D236-R240 IonicContact OD2-CZ 2.66Å; D236-R240 IonicContact OD2-NE 3.18Å; D236-R240 PolarHBondContact OD2-NE 2.82Å; D236-R240 IonicContact OD2-NH2 2.68Å; D236-R240 PolarHBondContact OD2-NH2 3.36Å
237V96.6Very high95.4Very high90 Ų9069.8 Ų69.855%0.54534%0.339SS..Hα-helixtrans-58.7-45.1175.4174.20000111.5L233 K234 R240 Q241L233-V237 WeakPolarHBondContact O-CG2 3.5Å; L233-V237 PolarHBondContact O-N 3.08Å; L233-V237 VanDerWaalsContact O-N 3.14Å; K234-V237 PolarHBondContact O-N 3.02Å; V237-R240 PolarHBondContact O-N 2.87Å; V237-Q241 WeakPolarHBondContact O-CB 3.45Å; V237-Q241 PolarHBondContact O-N 2.96Å
238L97.1Very high95.4Very high33 Ų3373.5 Ų73.517%0.17335%0.346CS..Hα-helixtrans-66.6-39.9176.5-67.3-171.3000112.4L208 A211 I212 L215 K234 L235 D236 Q241 Y242L208-L238 HydrophobicContact CD2-CD2 3.98Å; A211-L238 HydrophobicContact CB-CD1 3.73Å; I212-L238 HydrophobicContact CD1-CB 4.26Å; I212-L238 HydrophobicContact CG1-CB 3.69Å; I212-L238 HydrophobicContact CG1-CD1 4.37Å; L215-L238 HydrophobicContact CD1-CD1 3.77Å; K234-L238 WeakPolarHBondContact O-CG 3.31Å; K234-L238 PolarHBondContact O-N 2.94Å; L235-L238 PolarHBondContact O-N 2.85Å; D236-L238 PolarHBondContact O-N 3.33Å; L238-Q241 PolarHBondContact O-N 3.01Å; L238-Y242 WeakPolarHBondContact O-CB 3.45Å; L238-Y242 PolarHBondContact O-N 3.13Å
239K97.3Very high95.5Very high75 Ų7569.4 Ų69.433%0.32631%0.314SS..Hα-helixtrans-63.6-40.8175.1-75.6179.7-176.2-175.70111.5I212 E216 L235 D236 Y242 L243I212-K239 HydrophobicContact CD1-CG 3.82Å; I212-K239 HydrophobicContact CG1-CG 4.15Å; I212-K239 VanDerWaalsContact CG2-CE 3.49Å; I212-K239 HydrophobicContact CG2-CG 4.25Å; E216-K239 WeakPolarHBondContact OE1-CE 3.44Å; E216-K239 IonicContact OE1-NZ 3.48Å; E216-K239 PolarHBondContact OE1-NZ 3.09Å; L235-K239 HydrophobicContact CD2-CD 3.83Å; L235-K239 HydrophobicContact CG-CD 4.43Å; L235-K239 WeakPolarHBondContact O-CB 3.14Å; L235-K239 VanDerWaalsContact O-CG 3.32Å; L235-K239 WeakPolarHBondContact O-CG 3.28Å; L235-K239 PolarHBondContact O-N 2.98Å; D236-K239 PolarHBondContact O-N 2.97Å; K239-Y242 PolarHBondContact O-N 3.47Å; K239-L243 WeakPolarHBondContact O-CG 3.32Å; K239-L243 PolarHBondContact O-N 2.77Å
240R97.2Very high95.7Very high94 Ų9464.9 Ų64.936%0.35529%0.291SS..Hα-helixtrans-64-39.2171.5-68-179.5-156.9-97.4-3.7112.1D236 V237 L243 K244D236-R240 VanDerWaalsContact CG-NE 3.31Å; D236-R240 VanDerWaalsContact CG-NH2 3.32Å; D236-R240 WeakPolarHBondContact O-CG 3.31Å; D236-R240 PolarHBondContact O-N 3.23Å; D236-R240 IonicContact OD1-CZ 2.76Å; D236-R240 IonicContact OD1-NE 3.11Å; D236-R240 PolarHBondContact OD1-NE 3.4Å; D236-R240 IonicContact OD1-NH2 2.72Å; D236-R240 PolarHBondContact OD1-NH2 2.92Å; D236-R240 VanDerWaalsContact OD1-NH2 3.11Å; D236-R240 IonicContact OD2-CZ 2.66Å; D236-R240 IonicContact OD2-NE 3.18Å; D236-R240 PolarHBondContact OD2-NE 2.82Å; D236-R240 IonicContact OD2-NH2 2.68Å; D236-R240 PolarHBondContact OD2-NH2 3.36Å; V237-R240 PolarHBondContact O-N 2.87Å; R240-L243 PolarHBondContact O-N 3.07Å; R240-K244 WeakPolarHBondContact O-CG 3.34Å; R240-K244 PolarHBondContact O-N 2.62Å; R240-K244 VanDerWaalsContact O-N 3.08Å
241Q97Very high95.6Very high63 Ų6369.3 Ų69.329%0.29431%0.311SS..Hα-helixtrans-64.8-45.6175.5-170.9177.41.900111.5L208 V237 L238 L243 K244 V245L208-Q241 HydrophobicContact CD1-CB 4.5Å; L208-Q241 HydrophobicContact CD1-CG 3.98Å; L208-Q241 HydrophobicContact CD2-CB 4.43Å; L208-Q241 HydrophobicContact CD2-CG 4.16Å; V237-Q241 WeakPolarHBondContact O-CB 3.45Å; V237-Q241 PolarHBondContact O-N 2.96Å; L238-Q241 PolarHBondContact O-N 3.01Å; Q241-L243 VanDerWaalsContact C-N 3.32Å; Q241-L243 PolarHBondContact O-N 3.01Å; Q241-K244 WeakPolarHBondContact O-CB 3.5Å; Q241-K244 PolarHBondContact O-N 3.25Å; Q241-K244 VanDerWaalsContact O-N 3.14Å; Q241-V245 WeakPolarHBondContact O-CG2 3.17Å; Q241-V245 PolarHBondContact O-N 2.94Å
242Y97.8Very high95.4Very high74 Ų7471.1 Ų71.129%0.2932%0.32SS..Hα-helixtrans-56-45.8174.8-177.9-84.2000111.4M205 L208 L238 K239 K244 V245 W246M205-Y242 HydrophobicContact CB-CD2 4.31Å; M205-Y242 HydrophobicContact CB-CE2 3.8Å; M205-Y242 HydrophobicContact CE-CE1 4.27Å; M205-Y242 HydrophobicContact CE-CE2 4.17Å; M205-Y242 WeakPolarHBondContact CE-OH 3.44Å; M205-Y242 HydrophobicContact CG-CD2 4.45Å; M205-Y242 HydrophobicContact CG-CE2 4.16Å; M205-Y242 WeakPolarHBondContact O-CE2 3.41Å; L208-Y242 HydrophobicContact CB-CD2 4.02Å; L238-Y242 WeakPolarHBondContact O-CB 3.45Å; L238-Y242 PolarHBondContact O-N 3.13Å; K239-Y242 PolarHBondContact O-N 3.47Å; Y242-K244 PolarHBondContact O-N 3.41Å; Y242-V245 PolarHBondContact O-N 3.33Å; Y242-W246 WeakPolarHBondContact O-CB 3.33Å; Y242-W246 PolarHBondContact O-N 2.69Å
243L95.9Very high95.2Very high79 Ų7969.3 Ų69.341%0.41431%0.312SS..Hα-helixtrans-63.5-36.1176.6-71.3172.9000113.3K239 R240 Q241 W246 R247K239-L243 WeakPolarHBondContact O-CG 3.32Å; K239-L243 PolarHBondContact O-N 2.77Å; R240-L243 PolarHBondContact O-N 3.07Å; Q241-L243 VanDerWaalsContact C-N 3.32Å; Q241-L243 PolarHBondContact O-N 3.01Å; L243-W246 HydrophobicContact CD2-CE3 4.46Å; L243-R247 VanDerWaalsContact O-CG 3.28Å; L243-R247 WeakPolarHBondContact O-CG 3.14Å; L243-R247 PolarHBondContact O-N 3.4Å
244K96.1Very high94.8Very high149 Ų14972.9 Ų72.965%0.64833%0.332SS*.Hα-helixtrans-63.2-45.9172.5-70.9177.2-178.9-1760111.5R240 Q241 Y242 R247 R248R240-K244 WeakPolarHBondContact O-CG 3.34Å; R240-K244 PolarHBondContact O-N 2.62Å; R240-K244 VanDerWaalsContact O-N 3.08Å; Q241-K244 WeakPolarHBondContact O-CB 3.5Å; Q241-K244 PolarHBondContact O-N 3.25Å; Q241-K244 VanDerWaalsContact O-N 3.14Å; Y242-K244 PolarHBondContact O-N 3.41Å; K244-R247 PolarHBondContact O-N 3.48Å; K244-R248 PolarHBondContact O-N 3.47Å
245V96.2Very high94.6Very high15 Ų1573 Ų739%0.09134%0.339CS..Hα-helixtrans-65.3-40.5178.6-1790000111.1L201 L204 M205 L208 Q241 Y242 R248 H249L201-V245 HydrophobicContact CB-CG1 4.18Å; L201-V245 HydrophobicContact CD2-CG1 3.77Å; L204-V245 HydrophobicContact CB-CG1 4.43Å; L204-V245 HydrophobicContact CD2-CG1 4.07Å; L204-V245 HydrophobicContact CD2-CG2 3.65Å; L204-V245 HydrophobicContact CG-CG1 4.26Å; L204-V245 HydrophobicContact CG-CG2 4.15Å; M205-V245 HydrophobicContact CG-CB 4.16Å; M205-V245 HydrophobicContact CG-CG1 3.53Å; M205-V245 HydrophobicContact SD-CG1 4.26Å; L208-V245 HydrophobicContact CD1-CG2 4Å; Q241-V245 WeakPolarHBondContact O-CG2 3.17Å; Q241-V245 PolarHBondContact O-N 2.94Å; Y242-V245 PolarHBondContact O-N 3.33Å; V245-R248 PolarHBondContact O-N 2.89Å; V245-H249 WeakPolarHBondContact O-CB 3.34Å; V245-H249 PolarHBondContact O-N 3.18Å
246W95.6Very high94.2Very high53 Ų5374.8 Ų74.820%0.20136%0.358CS..Hα-helixtrans-63.9-40.9175.7174.274.7000113.2M205 Y242 L243 H249 C250 R257M205-W246 HydrophobicContact CE-CB 4.13Å; M205-W246 HydrophobicContact CE-CG 4.43Å; M205-W246 HydrophobicContact SD-CB 4.44Å; Y242-W246 WeakPolarHBondContact O-CB 3.33Å; Y242-W246 PolarHBondContact O-N 2.69Å; L243-W246 HydrophobicContact CD2-CE3 4.46Å; W246-H249 PolarHBondContact O-N 3.05Å; W246-C250 PolarHBondContact O-N 2.76Å; W246-C250 PolarHBondContact O-SG 3.39Å; W246-R257 HydrophobicContact CH2-CB 4.06Å; W246-R257 HydrophobicContact CZ3-CB 4.41Å
247R94.5Very high93.7Very high82 Ų8277.6 Ų77.631%0.30937%0.365SS..Hα-helixtrans-58.8-49.3173.5-74.2168.4-177.8174.7-0.2110.5L243 K244 H249 C250 E251 D463L243-R247 VanDerWaalsContact O-CG 3.28Å; L243-R247 WeakPolarHBondContact O-CG 3.14Å; L243-R247 PolarHBondContact O-N 3.4Å; K244-R247 PolarHBondContact O-N 3.48Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.15Å; R247-C250 WeakPolarHBondContact O-CB 3.35Å; R247-C250 PolarHBondContact O-N 2.84Å; R247-C250 VanDerWaalsContact O-N 3.13Å; R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.44Å; R247-D463 IonicContact NH2-OD1 3.65Å; R247-D463 PolarHBondContact NH2-OD1 3.36Å
248R93.4Very high93Very high121 Ų12181.5 Ų81.546%0.45738%0.375SS..Hα-helixtrans-63.3-34.1177.8-17052.9167.6-179.3-3.2113.6L201 K244 V245 E251 L252L201-R248 HydrophobicContact CD1-CG 4.22Å; K244-R248 PolarHBondContact O-N 3.47Å; V245-R248 PolarHBondContact O-N 2.89Å; R248-E251 WeakPolarHBondContact CD-OE2 3.28Å; R248-E251 IonicContact CZ-OE2 2.75Å; R248-E251 IonicContact NE-OE2 3.48Å; R248-E251 IonicContact NH1-OE2 3.53Å; R248-E251 PolarHBondContact NH1-OE2 3.05Å; R248-L252 HydrophobicContact CG-CD1 4.11Å; R248-L252 WeakPolarHBondContact O-CB 3.44Å; R248-L252 WeakPolarHBondContact O-CG 3.5Å; R248-L252 PolarHBondContact O-N 3.42Å; R248-L252 VanDerWaalsContact O-N 3.09Å
249H93.8Very high92.1Very high29 Ų2983.2 Ų83.213%0.13439%0.389CS..Hα-helixtrans-65.7-44173179.4-90.1000112L201 E202 M205 V245 W246 R247 L252 R253L201-H249 HydrophobicContact CD1-CB 4.46Å; E202-H249 VanDerWaalsContact CG-NE2 3.3Å; E202-H249 WeakPolarHBondContact CG-NE2 3.33Å; E202-H249 IonicContact OE1-CD2 3.57Å; E202-H249 IonicContact OE1-CE1 2.74Å; E202-H249 IonicContact OE1-NE2 3.72Å; E202-H249 PolarHBondContact OE1-NE2 2.93Å; M205-H249 HydrophobicContact SD-CB 4.23Å; V245-H249 WeakPolarHBondContact O-CB 3.34Å; V245-H249 PolarHBondContact O-N 3.18Å; W246-H249 PolarHBondContact O-N 3.05Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.15Å; H249-L252 PolarHBondContact O-N 3.45Å; H249-R253 PolarHBondContact CE1-NE 3.21Å; H249-R253 PolarHBondContact NE2-NE 2.92Å; H249-R253 PolarHBondContact O-N 3.09Å
250C93.5Very high91.4Very high8 Ų882.3 Ų82.35%0.05440%0.402CS..Hα-helixtrans-63.3-44.4176.2-66.70000112.1W246 R247 R253 N254 V255 R257W246-C250 PolarHBondContact O-N 2.76Å; W246-C250 PolarHBondContact O-SG 3.39Å; R247-C250 WeakPolarHBondContact O-CB 3.35Å; R247-C250 PolarHBondContact O-N 2.84Å; R247-C250 VanDerWaalsContact O-N 3.13Å; C250-R253 PolarHBondContact O-N 3.26Å; C250-N254 PolarHBondContact O-N 3.22Å; C250-N254 VanDerWaalsContact O-N 3.08Å; C250-V255 PolarHBondContact O-N 3.23Å; C250-R257 HydrophobicContact CB-CG 4.42Å
251E92.5Very high91.1Very high97 Ų9781.9 Ų81.945%0.45340%0.4SS..Hα-helixtrans-54.5-52.3173-69.9156.6-141.600111.5R247 R248 R253 N254R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.44Å; R248-E251 WeakPolarHBondContact CD-OE2 3.28Å; R248-E251 IonicContact CZ-OE2 2.75Å; R248-E251 IonicContact NE-OE2 3.48Å; R248-E251 IonicContact NH1-OE2 3.53Å; R248-E251 PolarHBondContact NH1-OE2 3.05Å; E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.3Å; E251-N254 PolarHBondContact O-N 3.3Å
252L90.8Very high90.8Very high42 Ų4280.7 Ų80.722%0.2240%0.396CS..Hα-helixtrans-71.8-21.3-176-72.4169.7000114.1I197 L198 L201 R248 H249I197-L252 HydrophobicContact CG2-CD1 3.57Å; L198-L252 HydrophobicContact CD2-CB 3.7Å; L198-L252 HydrophobicContact CG-CB 4.33Å; L201-L252 HydrophobicContact CD1-CD1 3.59Å; R248-L252 HydrophobicContact CG-CD1 4.11Å; R248-L252 WeakPolarHBondContact O-CB 3.44Å; R248-L252 WeakPolarHBondContact O-CG 3.5Å; R248-L252 PolarHBondContact O-N 3.42Å; R248-L252 VanDerWaalsContact O-N 3.09Å; H249-L252 PolarHBondContact O-N 3.45Å
253R90Very high90.4Very high123 Ų12381 Ų8146%0.46440%0.401SS..THydrogen-bonded Turntrans-88-3.2167.8-68.5-165.8172.9-89.36.2113.5L198 E202 H249 C250 E251 V255L198-R253 HydrophobicContact CD1-CG 3.73Å; L198-R253 HydrophobicContact CD2-CG 3.59Å; L198-R253 HydrophobicContact CG-CG 4.32Å; E202-R253 IonicContact OE1-CZ 2.58Å; E202-R253 IonicContact OE1-NE 3.21Å; E202-R253 PolarHBondContact OE1-NE 2.92Å; E202-R253 IonicContact OE1-NH2 3.68Å; E202-R253 PolarHBondContact OE1-NH2 2.9Å; E202-R253 IonicContact OE2-NH2 3.97Å; H249-R253 PolarHBondContact CE1-NE 3.21Å; H249-R253 PolarHBondContact NE2-NE 2.92Å; H249-R253 PolarHBondContact O-N 3.09Å; C250-R253 PolarHBondContact O-N 3.26Å; E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.3Å; R253-V255 VanDerWaalsContact C-N 3.32Å; R253-V255 HydrophobicContact CB-CG2 3.9Å; R253-V255 PolarHBondContact O-N 3.4Å
254N88.5Confident89.9Confident156 Ų15680.8 Ų80.883%0.83440%0.395SS*.THydrogen-bonded Turntrans52.146-171.3-164.320000113C250 E251C250-N254 PolarHBondContact O-N 3.22Å; C250-N254 VanDerWaalsContact O-N 3.08Å; E251-N254 PolarHBondContact O-N 3.3Å
255V90.3Very high89.6Confident86 Ų8679 Ų7952%0.52139%0.389SS..  trans-114132.4-179.8178.80000109.9C250 R253C250-V255 PolarHBondContact O-N 3.23Å; R253-V255 VanDerWaalsContact C-N 3.32Å; R253-V255 HydrophobicContact CB-CG2 3.9Å; R253-V255 PolarHBondContact O-N 3.4Å
256A87.4Confident89.4Confident62 Ų6285.8 Ų85.851%0.51241%0.413SS..  trans-59.8137.6177.400000112K258A256-K258 HydrophobicContact CB-CD 4.1Å; A256-K258 HydrophobicContact CB-CG 4.14Å; A256-K258 PolarHBondContact O-N 3.13Å
257R85.3Confident89.3Confident98 Ų9883.7 Ų83.737%0.3741%0.405SS..  trans-6560.1-178.4-66.2177.5-88.8173.6-16.3113.9W246 C250 R264 D465W246-R257 HydrophobicContact CH2-CB 4.06Å; W246-R257 HydrophobicContact CZ3-CB 4.41Å; C250-R257 HydrophobicContact CB-CG 4.42Å; R257-R264 PolarHBondContact O-NH1 2.89Å; R257-R264 VanDerWaalsContact O-NH1 3.09Å; R257-D465 IonicContact CZ-OD1 3.15Å; R257-D465 VanDerWaalsContact CZ-OD1 3.28Å; R257-D465 IonicContact NE-OD1 2.66Å; R257-D465 IonicContact NH1-OD1 2.82Å; R257-D465 PolarHBondContact NH1-OD1 2.77Å
258K82.1Confident89.2Confident172 Ų17283.8 Ų83.875%0.74842%0.415SS*.  trans-109.886.8-171-69.1-179.2178.4174.80111.9A256 G260A256-K258 HydrophobicContact CB-CD 4.1Å; A256-K258 HydrophobicContact CB-CG 4.14Å; A256-K258 PolarHBondContact O-N 3.13Å; K258-G260 PolarHBondContact O-N 3.31Å
259S78.8Confident89.3Confident69 Ų6978.5 Ų78.548%0.48340%0.395SS..  trans-67.512.2179.1-167.30000116.2R261S259-R261 PolarHBondContact O-N 3.19Å
260G83.8Confident89.3Confident57 Ų5783.3 Ų83.359%0.58842%0.422SS*.  trans73.7-22.7178.600000117.4K258 Q265K258-G260 PolarHBondContact O-N 3.31Å; G260-Q265 PolarHBondContact O-NE2 2.87Å
261R89.7Confident89.1Confident85 Ų8585 Ų8532%0.32144%0.441SS..  trans-37.5139.1-177.8-76.1-160.5166.5-171.6-10.7114.9S259 L263 R264 Q265 D343S259-R261 PolarHBondContact O-N 3.19Å; R261-L263 VanDerWaalsContact C-N 3.27Å; R261-L263 PolarHBondContact O-N 3.01Å; R261-R264 HydrophobicContact CB-CB 4.23Å; R261-R264 HydrophobicContact CB-CG 4.27Å; R261-R264 WeakPolarHBondContact O-CA 3.46Å; R261-R264 PolarHBondContact O-N 3.15Å; R261-Q265 PolarHBondContact O-N 3.25Å; R261-D343 WeakPolarHBondContact CG-OD2 3.44Å; R261-D343 IonicContact CZ-OD2 2.74Å; R261-D343 VanDerWaalsContact CZ-OD2 3.24Å; R261-D343 IonicContact NE-OD2 3.55Å; R261-D343 PolarHBondContact NE-OD2 2.8Å; R261-D343 IonicContact NH2-OD2 2.73Å; R261-D343 PolarHBondContact NH2-OD2 3.01Å
262I90.6Very high89.1Confident38 Ų3880.9 Ų80.920%0.19542%0.423CS..G310 helixtrans-62.2-35179.6-68.2168.7000110.8R264 Q265 R335 D338 D339 H342I262-R264 VanDerWaalsContact C-N 3.33Å; I262-R264 PolarHBondContact O-N 3.49Å; I262-Q265 PolarHBondContact O-N 2.89Å; I262-R335 HydrophobicContact CG2-CG 3.84Å; I262-R335 PolarHBondContact O-NE 2.88Å; I262-R335 VanDerWaalsContact O-NE 3.13Å; I262-R335 PolarHBondContact O-NH2 3.07Å; I262-D338 HydrophobicContact CD1-CB 4.34Å; I262-D339 VanDerWaalsContact CA-OD1 3.31Å; I262-D339 WeakPolarHBondContact CA-OD1 3.3Å; I262-D339 HydrophobicContact CB-CB 3.92Å; I262-D339 WeakPolarHBondContact CB-OD1 3.36Å; I262-D339 HydrophobicContact CG2-CB 4.34Å; I262-D339 PolarHBondContact N-OD1 3.39Å; I262-H342 HydrophobicContact CD1-CB 4.07Å
263L89.6Confident89.1Confident79 Ų7987.3 Ų87.341%0.41445%0.452SS..G310 helixtrans-70.7-20.9172.6-72.4177.3000114.2R261 R335 D339R261-L263 VanDerWaalsContact C-N 3.27Å; R261-L263 PolarHBondContact O-N 3.01Å; L263-R335 VanDerWaalsContact C-NH2 3.32Å; L263-R335 HydrophobicContact CD2-CG 4.3Å; L263-R335 PolarHBondContact O-NH2 3.4Å; L263-D339 HydrophobicContact CD1-CB 4.19Å; L263-D339 WeakPolarHBondContact CD1-OD2 3.36Å; L263-D339 HydrophobicContact CG-CB 3.78Å; L263-D339 PolarHBondContact N-OD1 2.74Å
264R86.5Confident89.3Confident75 Ų7584.8 Ų84.828%0.28344%0.443SS..G310 helixtrans-87.3-4.8174.8-76.6-177.9171.7-103.65113.9R257 R261 I262 D463 D465R257-R264 PolarHBondContact O-NH1 2.89Å; R257-R264 VanDerWaalsContact O-NH1 3.09Å; R261-R264 HydrophobicContact CB-CB 4.23Å; R261-R264 HydrophobicContact CB-CG 4.27Å; R261-R264 WeakPolarHBondContact O-CA 3.46Å; R261-R264 PolarHBondContact O-N 3.15Å; I262-R264 VanDerWaalsContact C-N 3.33Å; I262-R264 PolarHBondContact O-N 3.49Å; R264-D463 IonicContact CZ-OD2 2.76Å; R264-D463 IonicContact NE-OD2 2.89Å; R264-D463 VanDerWaalsContact NH2-CB 3.34Å; R264-D463 IonicContact NH2-OD1 2.68Å; R264-D463 IonicContact NH2-OD2 3.25Å; R264-D463 PolarHBondContact NH2-OD2 2.89Å; R264-D465 IonicContact CZ-OD2 3.75Å; R264-D465 IonicContact NH1-OD2 2.89Å; R264-D465 PolarHBondContact NH1-OD2 2.58Å; R264-D465 IonicContact NH2-OD2 3.51Å; R264-D465 PolarHBondContact NH2-OD2 2.93Å
265Q88.4Confident89.5Confident112 Ų11282.3 Ų82.352%0.52344%0.435SS..SBendtrans-76.5163.7175.1-62.2175.424.300111.3G260 R261 I262 F267 R335G260-Q265 PolarHBondContact O-NE2 2.87Å; R261-Q265 PolarHBondContact O-N 3.25Å; I262-Q265 PolarHBondContact O-N 2.89Å; Q265-F267 PolarHBondContact O-N 2.95Å; Q265-R335 PolarHBondContact O-NH2 3.32Å
266R92.1Very high89.7Confident157 Ų15780.9 Ų80.959%0.59242%0.422SS*.PPolyproline II helixtrans-74.4124.6174.6-166.4-173-179.4-82.57.9109.6E282 N286R266-E282 IonicContact CZ-OE2 3.28Å; R266-E282 VanDerWaalsContact NH1-CD 3.29Å; R266-E282 IonicContact NH1-OE1 2.72Å; R266-E282 IonicContact NH1-OE2 3.58Å; R266-E282 PolarHBondContact NH1-OE2 2.97Å; R266-E282 IonicContact NH2-OE2 2.65Å; R266-E282 PolarHBondContact NH2-OE2 3.37Å; R266-N286 WeakPolarHBondContact CA-OD1 3.32Å; R266-N286 WeakPolarHBondContact CG-OD1 3.43Å
267F93.4Very high90.1Very high9 Ų978 Ų784%0.03940%0.398CS..PPolyproline II helixtrans-66.3137.4166.1-173.1-116.3000109.6Q265 Y269 I281 V285 N286 T331 L332Q265-F267 PolarHBondContact O-N 2.95Å; F267-Y269 HydrophobicContact CE1-CD2 4.43Å; F267-Y269 HydrophobicContact CE1-CG 4.35Å; F267-Y269 HydrophobicContact CZ-CD2 4.23Å; F267-I281 HydrophobicContact CE1-CG2 4.14Å; F267-V285 HydrophobicContact CB-CB 4.4Å; F267-V285 HydrophobicContact CB-CG1 3.63Å; F267-V285 HydrophobicContact CD1-CB 3.72Å; F267-V285 HydrophobicContact CD1-CG1 3.54Å; F267-V285 HydrophobicContact CD1-CG2 4.05Å; F267-V285 HydrophobicContact CD2-CG1 4.29Å; F267-V285 HydrophobicContact CE1-CB 4.28Å; F267-V285 HydrophobicContact CE1-CG1 4.21Å; F267-V285 HydrophobicContact CE1-CG2 4.08Å; F267-V285 HydrophobicContact CG-CB 4.26Å; F267-V285 HydrophobicContact CG-CG1 3.58Å; F267-N286 PolarHBondContact N-OD1 3.08Å; F267-N286 PolarHBondContact O-ND2 3.22Å; F267-T331 HydrophobicContact CE2-CG2 3.79Å; F267-T331 HydrophobicContact CZ-CG2 4.32Å; F267-L332 HydrophobicContact CD2-CD2 3.83Å; F267-L332 HydrophobicContact CE1-CD2 4.38Å; F267-L332 HydrophobicContact CE2-CD2 3.53Å; F267-L332 HydrophobicContact CE2-CG 4.25Å; F267-L332 HydrophobicContact CG-CD2 4.38Å; F267-L332 HydrophobicContact CZ-CD2 3.84Å; F267-L332 HydrophobicContact CZ-CG 4.23Å
268V93.8Very high90.5Very high85 Ų8574 Ų7452%0.51538%0.384SS..  trans-129.9128.6176.2-177.40000107.5N270 E282V268-N270 WeakPolarHBondContact CG1-ND2 3.5Å; V268-E282 WeakPolarHBondContact CA-OE1 3.26Å; V268-E282 WeakPolarHBondContact CG1-OE1 3.41Å
269Y94.4Very high91.2Very high9 Ų970.1 Ų70.14%0.03537%0.368CS..  trans-127128.1-176.9-172.7-110.4000110.8F267 G271 C272 N278 I281 E282 I324 D327 V328F267-Y269 HydrophobicContact CE1-CD2 4.43Å; F267-Y269 HydrophobicContact CE1-CG 4.35Å; F267-Y269 HydrophobicContact CZ-CD2 4.23Å; Y269-G271 WeakPolarHBondContact OH-CA 3.41Å; Y269-C272 HydrophobicContact CE1-CB 4.41Å; Y269-N278 HydrophobicContact CD1-CB 4.32Å; Y269-N278 WeakPolarHBondContact CD1-OD1 3.47Å; Y269-N278 VanDerWaalsContact CE1-OD1 3.26Å; Y269-N278 WeakPolarHBondContact CE1-OD1 3.36Å; Y269-N278 WeakPolarHBondContact O-CB 3.28Å; Y269-I281 HydrophobicContact CD1-CB 4.24Å; Y269-I281 HydrophobicContact CD1-CD1 3.78Å; Y269-I281 HydrophobicContact CD1-CG2 4.02Å; Y269-I281 HydrophobicContact CE1-CD1 3.66Å; Y269-I281 HydrophobicContact CG-CG2 4.15Å; Y269-E282 PolarHBondContact N-OE1 3.06Å; Y269-I324 HydrophobicContact CE1-CG2 4.23Å; Y269-D327 WeakPolarHBondContact CE2-OD2 3.41Å; Y269-D327 VanDerWaalsContact CZ-OD2 3.3Å; Y269-D327 PolarHBondContact OH-OD2 3.09Å; Y269-V328 HydrophobicContact CD1-CG2 4.31Å; Y269-V328 HydrophobicContact CD2-CG2 3.92Å; Y269-V328 HydrophobicContact CE1-CG2 3.93Å; Y269-V328 HydrophobicContact CE2-CG2 3.51Å; Y269-V328 HydrophobicContact CG-CG2 4.31Å
270N93.2Very high91.9Very high131 Ų13169.7 Ų69.770%0.70136%0.358SS*.  trans-137.827-178.8-68.9-78.4000111.5V268V268-N270 WeakPolarHBondContact CG1-ND2 3.5Å
271G90.3Very high92.4Very high44 Ų4467.1 Ų67.145%0.45433%0.33SS..  trans-81.8-30.4-177.500000113.7Y269Y269-G271 WeakPolarHBondContact OH-CA 3.41Å
272C92.2Very high92.6Very high10 Ų1064.1 Ų64.17%0.06832%0.32CS..SBendtrans-84.3144.1176.7-170.40000111.7Y269 Y274 V277 N278 I324Y269-C272 HydrophobicContact CE1-CB 4.41Å; C272-Y274 PolarHBondContact O-N 2.97Å; C272-Y274 PolarHBondContact SG-N 3.4Å; C272-Y274 VanDerWaalsContact SG-N 3.43Å; C272-V277 HydrophobicContact CB-CB 4.25Å; C272-V277 HydrophobicContact CB-CG1 4.11Å; C272-N278 WeakPolarHBondContact CB-OD1 3.43Å; C272-N278 PolarHBondContact N-OD1 3.49Å; C272-N278 VanDerWaalsContact N-OD1 3.12Å; C272-N278 PolarHBondContact O-ND2 2.78Å; C272-I324 HydrophobicContact CB-CD1 3.81Å; C272-I324 HydrophobicContact CB-CG1 4.27Å
273Q91.5Very high92.8Very high177 Ų17765 Ų6583%0.82732%0.324SS*.SBendtrans-67.5-21.4173.6-59.8-179.821.500113P275Q273-P275 WeakPolarHBondContact O-CD 3.42Å
274Y92.7Very high92.9Very high69 Ų6962.1 Ų62.127%0.27131%0.308SS..SBendtrans-97.6110.7-178.7-57.4-69.3000110.7C272 K276 V277 N278 L310 L312 L320C272-Y274 PolarHBondContact O-N 2.97Å; C272-Y274 PolarHBondContact SG-N 3.4Å; C272-Y274 VanDerWaalsContact SG-N 3.43Å; Y274-K276 VanDerWaalsContact C-N 3.28Å; Y274-K276 PolarHBondContact O-N 3.09Å; Y274-V277 WeakPolarHBondContact O-CB 3.41Å; Y274-V277 PolarHBondContact O-N 2.81Å; Y274-V277 VanDerWaalsContact O-N 3.08Å; Y274-N278 PolarHBondContact O-N 3.02Å; Y274-L310 HydrophobicContact CD1-CD1 3.62Å; Y274-L310 HydrophobicContact CD1-CD2 3.9Å; Y274-L310 HydrophobicContact CD1-CG 4.41Å; Y274-L310 HydrophobicContact CD2-CD1 4.13Å; Y274-L310 HydrophobicContact CE1-CD1 3.79Å; Y274-L310 HydrophobicContact CE1-CD2 3.84Å; Y274-L310 HydrophobicContact CE1-CG 4.33Å; Y274-L310 HydrophobicContact CE2-CD1 4.28Å; Y274-L310 HydrophobicContact CG-CD1 3.81Å; Y274-L312 HydrophobicContact CE2-CD1 4.03Å; Y274-L320 HydrophobicContact CD2-CD2 3.97Å; Y274-L320 HydrophobicContact CE2-CD2 3.79Å
275P93.5Very high93.2Very high104 Ų10459 Ų5968%0.67530%0.297SS*.Hα-helixtrans-60.1-33.6-174-26.636.2000114.2Q273 V277 N278 E279Q273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-V277 VanDerWaalsContact C-N 3.29Å; P275-V277 PolarHBondContact O-N 2.99Å; P275-N278 WeakPolarHBondContact O-CB 3.35Å; P275-N278 PolarHBondContact O-N 3.01Å; P275-N278 VanDerWaalsContact O-N 3.11Å; P275-E279 PolarHBondContact O-N 3.28Å
276K94.5Very high93.4Very high57 Ų5755.7 Ų55.725%0.24828%0.284CS..Hα-helixtrans-65.5-31.2178.5-15976.5-163.8160.80113.1Y274 E279 K280 V304 E308Y274-K276 VanDerWaalsContact C-N 3.28Å; Y274-K276 PolarHBondContact O-N 3.09Å; K276-E279 WeakPolarHBondContact CD-OE2 3.45Å; K276-E279 WeakPolarHBondContact CE-OE2 3.35Å; K276-E279 IonicContact NZ-OE1 2.75Å; K276-E279 PolarHBondContact NZ-OE1 2.79Å; K276-E279 IonicContact NZ-OE2 3.64Å; K276-E279 PolarHBondContact NZ-OE2 2.71Å; K276-K280 WeakPolarHBondContact O-CG 3.41Å; K276-K280 PolarHBondContact O-N 2.91Å; K276-K280 VanDerWaalsContact O-N 3.14Å; K276-V304 HydrophobicContact CB-CG1 3.82Å; K276-V304 HydrophobicContact CB-CG2 4.32Å; K276-V304 HydrophobicContact CG-CG1 4.23Å; K276-V304 HydrophobicContact CG-CG2 4.11Å; K276-E308 HydrophobicContact CB-CG 4.12Å; K276-E308 WeakPolarHBondContact CD-OE1 3.38Å; K276-E308 HydrophobicContact CG-CG 4.3Å; K276-E308 WeakPolarHBondContact CG-OE1 3.28Å
277V94.9Very high93.1Very high1 Ų154.4 Ų54.41%0.00628%0.284CS..Hα-helixtrans-67.5-43.8171.3178.70000110.3C272 Y274 P275 K280 I281 I300 V301 V304 I324C272-V277 HydrophobicContact CB-CB 4.25Å; C272-V277 HydrophobicContact CB-CG1 4.11Å; Y274-V277 WeakPolarHBondContact O-CB 3.41Å; Y274-V277 PolarHBondContact O-N 2.81Å; Y274-V277 VanDerWaalsContact O-N 3.08Å; P275-V277 VanDerWaalsContact C-N 3.29Å; P275-V277 PolarHBondContact O-N 2.99Å; V277-K280 PolarHBondContact O-N 2.72Å; V277-I281 HydrophobicContact CG1-CD1 3.73Å; V277-I281 WeakPolarHBondContact O-CD1 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.26Å; V277-I281 WeakPolarHBondContact O-CG1 3.46Å; V277-I281 PolarHBondContact O-N 2.94Å; V277-I300 HydrophobicContact CG1-CG2 4.16Å; V277-V301 HydrophobicContact CG1-CG2 4.07Å; V277-V304 HydrophobicContact CG2-CB 3.84Å; V277-V304 HydrophobicContact CG2-CG1 3.69Å; V277-V304 HydrophobicContact CG2-CG2 4.05Å; V277-I324 HydrophobicContact CG1-CD1 3.8Å
278N95.4Very high92.6Very high14 Ų1460 Ų608%0.07531%0.308CS..Hα-helixtrans-61-47.2177.1-67.9-28.3000111.7Y269 C272 Y274 P275 K280 I281 E282Y269-N278 HydrophobicContact CD1-CB 4.32Å; Y269-N278 WeakPolarHBondContact CD1-OD1 3.47Å; Y269-N278 VanDerWaalsContact CE1-OD1 3.26Å; Y269-N278 WeakPolarHBondContact CE1-OD1 3.36Å; Y269-N278 WeakPolarHBondContact O-CB 3.28Å; C272-N278 WeakPolarHBondContact CB-OD1 3.43Å; C272-N278 PolarHBondContact N-OD1 3.49Å; C272-N278 VanDerWaalsContact N-OD1 3.12Å; C272-N278 PolarHBondContact O-ND2 2.78Å; Y274-N278 PolarHBondContact O-N 3.02Å; P275-N278 WeakPolarHBondContact O-CB 3.35Å; P275-N278 PolarHBondContact O-N 3.01Å; P275-N278 VanDerWaalsContact O-N 3.11Å; N278-K280 PolarHBondContact O-N 3.1Å; N278-I281 PolarHBondContact O-N 2.96Å; N278-E282 WeakPolarHBondContact O-CG 3.4Å; N278-E282 PolarHBondContact O-N 2.74Å
279E95.1Very high92.2Very high91 Ų9162.8 Ų62.843%0.42531%0.31SS..Hα-helixtrans-55.2-47.8176-173.4-168.8148.400112P275 K276 I281 E282 E283P275-E279 PolarHBondContact O-N 3.28Å; K276-E279 WeakPolarHBondContact CD-OE2 3.45Å; K276-E279 WeakPolarHBondContact CE-OE2 3.35Å; K276-E279 IonicContact NZ-OE1 2.75Å; K276-E279 PolarHBondContact NZ-OE1 2.79Å; K276-E279 IonicContact NZ-OE2 3.64Å; K276-E279 PolarHBondContact NZ-OE2 2.71Å; E279-I281 VanDerWaalsContact C-N 3.35Å; E279-I281 PolarHBondContact O-N 3.36Å; E279-E282 PolarHBondContact O-N 3.38Å; E279-E283 WeakPolarHBondContact O-CB 3.36Å; E279-E283 PolarHBondContact O-N 3.09Å
280K93.8Very high91.8Very high60 Ų6066.5 Ų66.526%0.26133%0.33SS..Hα-helixtrans-68.2-29.9179.9-76-73.6167.4-157.10113.9K276 V277 N278 E283 I284 I300K276-K280 WeakPolarHBondContact O-CG 3.41Å; K276-K280 PolarHBondContact O-N 2.91Å; K276-K280 VanDerWaalsContact O-N 3.14Å; V277-K280 PolarHBondContact O-N 2.72Å; N278-K280 PolarHBondContact O-N 3.1Å; K280-E283 WeakPolarHBondContact CD-OE2 3.48Å; K280-E283 WeakPolarHBondContact CE-OE2 3.47Å; K280-E283 VanDerWaalsContact NZ-CD 3.28Å; K280-E283 IonicContact NZ-OE1 3.15Å; K280-E283 PolarHBondContact NZ-OE1 2.7Å; K280-E283 VanDerWaalsContact NZ-OE1 3.08Å; K280-E283 IonicContact NZ-OE2 3.25Å; K280-E283 PolarHBondContact NZ-OE2 3.36Å; K280-I284 PolarHBondContact O-N 3.18Å; K280-I300 HydrophobicContact CB-CG1 4.4Å; K280-I300 HydrophobicContact CB-CG2 3.55Å; K280-I300 HydrophobicContact CG-CG2 4.45Å
281I94.7Very high91.8Very high2 Ų266.3 Ų66.31%0.0132%0.323CS..Hα-helixtrans-71.5-43.7172.1-68.2162.5000110.2F267 Y269 V277 N278 E279 E283 I284 V285 I297 I300 I324 V328F267-I281 HydrophobicContact CE1-CG2 4.14Å; Y269-I281 HydrophobicContact CD1-CB 4.24Å; Y269-I281 HydrophobicContact CD1-CD1 3.78Å; Y269-I281 HydrophobicContact CD1-CG2 4.02Å; Y269-I281 HydrophobicContact CE1-CD1 3.66Å; Y269-I281 HydrophobicContact CG-CG2 4.15Å; V277-I281 HydrophobicContact CG1-CD1 3.73Å; V277-I281 WeakPolarHBondContact O-CD1 3.43Å; V277-I281 VanDerWaalsContact O-CG1 3.26Å; V277-I281 WeakPolarHBondContact O-CG1 3.46Å; V277-I281 PolarHBondContact O-N 2.94Å; N278-I281 PolarHBondContact O-N 2.96Å; E279-I281 VanDerWaalsContact C-N 3.35Å; E279-I281 PolarHBondContact O-N 3.36Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 3.46Å; I281-I284 PolarHBondContact O-N 2.93Å; I281-V285 WeakPolarHBondContact O-CB 3.37Å; I281-V285 WeakPolarHBondContact O-CG2 3.24Å; I281-V285 PolarHBondContact O-N 3.08Å; I281-I297 HydrophobicContact CD1-CD1 4.45Å; I281-I297 HydrophobicContact CG1-CD1 4.1Å; I281-I300 HydrophobicContact CG1-CD1 3.81Å; I281-I324 HydrophobicContact CD1-CG2 3.42Å; I281-I324 VanDerWaalsContact CD1-CG2 3.42Å; I281-V328 HydrophobicContact CD1-CG2 4.3Å; I281-V328 HydrophobicContact CG2-CG1 4.24Å; I281-V328 HydrophobicContact CG2-CG2 3.83Å
282E94.5Very high91.9Very high23 Ų2364.4 Ų64.411%0.10730%0.303CS..Hα-helixtrans-61.5-37.8173.7-71.7-174.7174.900112.2R266 V268 Y269 N278 E279 N286R266-E282 IonicContact CZ-OE2 3.28Å; R266-E282 VanDerWaalsContact NH1-CD 3.29Å; R266-E282 IonicContact NH1-OE1 2.72Å; R266-E282 IonicContact NH1-OE2 3.58Å; R266-E282 PolarHBondContact NH1-OE2 2.97Å; R266-E282 IonicContact NH2-OE2 2.65Å; R266-E282 PolarHBondContact NH2-OE2 3.37Å; V268-E282 WeakPolarHBondContact CA-OE1 3.26Å; V268-E282 WeakPolarHBondContact CG1-OE1 3.41Å; Y269-E282 PolarHBondContact N-OE1 3.06Å; N278-E282 WeakPolarHBondContact O-CG 3.4Å; N278-E282 PolarHBondContact O-N 2.74Å; E279-E282 PolarHBondContact O-N 3.38Å; E282-N286 WeakPolarHBondContact O-CB 3.3Å; E282-N286 PolarHBondContact O-N 3.29Å; E282-N286 PolarHBondContact O-ND2 3.4Å
283E93.4Very high92.1Very high57 Ų5767.3 Ų67.327%0.26632%0.317SS..Hα-helixtrans-58.5-55.9175.8-174.5-177.9129.900111.3E279 K280 I281 V285 N286 Q287E279-E283 WeakPolarHBondContact O-CB 3.36Å; E279-E283 PolarHBondContact O-N 3.09Å; K280-E283 WeakPolarHBondContact CD-OE2 3.48Å; K280-E283 WeakPolarHBondContact CE-OE2 3.47Å; K280-E283 VanDerWaalsContact NZ-CD 3.28Å; K280-E283 IonicContact NZ-OE1 3.15Å; K280-E283 PolarHBondContact NZ-OE1 2.7Å; K280-E283 VanDerWaalsContact NZ-OE1 3.08Å; K280-E283 IonicContact NZ-OE2 3.25Å; K280-E283 PolarHBondContact NZ-OE2 3.36Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 3.46Å; E283-V285 PolarHBondContact O-N 3.1Å; E283-N286 PolarHBondContact O-N 2.86Å; E283-Q287 VanDerWaalsContact O-CB 3.23Å; E283-Q287 WeakPolarHBondContact O-CB 3.1Å; E283-Q287 WeakPolarHBondContact O-CG 3.42Å; E283-Q287 PolarHBondContact O-N 2.97Å
284I92.6Very high92.3Very high17 Ų1763.1 Ų63.19%0.08729%0.294CS..Hα-helixtrans-62.5-45.3-179.2-74.8167.6000111.6K280 I281 K288 R289 L290 I300K280-I284 PolarHBondContact O-N 3.18Å; I281-I284 PolarHBondContact O-N 2.93Å; I284-K288 HydrophobicContact CG1-CD 4.27Å; I284-K288 WeakPolarHBondContact O-CB 3.36Å; I284-K288 PolarHBondContact O-N 2.9Å; I284-R289 PolarHBondContact O-N 3.15Å; I284-L290 HydrophobicContact CG2-CB 4.38Å; I284-I300 HydrophobicContact CD1-CD1 3.72Å; I284-I300 HydrophobicContact CD1-CG1 4.03Å
285V93.4Very high92.4Very high10 Ų1063 Ų636%0.06130%0.3CS..Hα-helixtrans-70.5-38.6-177.7174.30000112.4F267 I281 E283 R289 L332F267-V285 HydrophobicContact CB-CB 4.4Å; F267-V285 HydrophobicContact CB-CG1 3.63Å; F267-V285 HydrophobicContact CD1-CB 3.72Å; F267-V285 HydrophobicContact CD1-CG1 3.54Å; F267-V285 HydrophobicContact CD1-CG2 4.05Å; F267-V285 HydrophobicContact CD2-CG1 4.29Å; F267-V285 HydrophobicContact CE1-CB 4.28Å; F267-V285 HydrophobicContact CE1-CG1 4.21Å; F267-V285 HydrophobicContact CE1-CG2 4.08Å; F267-V285 HydrophobicContact CG-CB 4.26Å; F267-V285 HydrophobicContact CG-CG1 3.58Å; I281-V285 WeakPolarHBondContact O-CB 3.37Å; I281-V285 WeakPolarHBondContact O-CG2 3.24Å; I281-V285 PolarHBondContact O-N 3.08Å; E283-V285 PolarHBondContact O-N 3.1Å; V285-R289 WeakPolarHBondContact O-CA 3.43Å; V285-L332 HydrophobicContact CG1-CD2 3.73Å; V285-L332 HydrophobicContact CG2-CD1 4.06Å; V285-L332 HydrophobicContact CG2-CD2 4.42Å
286N91.6Very high92.5Very high43 Ų4359.6 Ų59.623%0.2328%0.276CS..Hα-helixtrans-83.3-44.3-177.6-71.6-68.2000113R266 F267 E282 E283R266-N286 WeakPolarHBondContact CA-OD1 3.32Å; R266-N286 WeakPolarHBondContact CG-OD1 3.43Å; F267-N286 PolarHBondContact N-OD1 3.08Å; F267-N286 PolarHBondContact O-ND2 3.22Å; E282-N286 WeakPolarHBondContact O-CB 3.3Å; E282-N286 PolarHBondContact O-N 3.29Å; E282-N286 PolarHBondContact O-ND2 3.4Å; E283-N286 PolarHBondContact O-N 2.86Å
287Q85.6Confident92.6Very high129 Ų12956.9 Ų56.960%0.60327%0.265SS*.Hα-helixtrans-81.1-52.6-174.7-60.5179.5-8.700111.4E283 R289E283-Q287 VanDerWaalsContact O-CB 3.23Å; E283-Q287 WeakPolarHBondContact O-CB 3.1Å; E283-Q287 WeakPolarHBondContact O-CG 3.42Å; E283-Q287 PolarHBondContact O-N 2.97Å; Q287-R289 VanDerWaalsContact C-N 3.35Å
288K82.9Confident92.7Very high126 Ų12659.7 Ų59.755%0.54828%0.276SS..SBendtrans-82.6-14.7-176.4-48.8-174.9-177.7-1800112.8I284 L290I284-K288 HydrophobicContact CG1-CD 4.27Å; I284-K288 WeakPolarHBondContact O-CB 3.36Å; I284-K288 PolarHBondContact O-N 2.9Å; K288-L290 HydrophobicContact CB-CB 4.45Å; K288-L290 HydrophobicContact CB-CD1 3.82Å; K288-L290 HydrophobicContact CB-CG 3.76Å; K288-L290 HydrophobicContact CD-CD1 4.03Å; K288-L290 PolarHBondContact O-N 3.4Å; K288-L290 VanDerWaalsContact O-N 3.1Å
289R85.5Confident92.7Very high145 Ų14566.3 Ų66.355%0.54730%0.299SS..  trans53.823.3-174.5-57-173-173.2163.47.8114I284 V285 Q287 D463I284-R289 PolarHBondContact O-N 3.15Å; V285-R289 WeakPolarHBondContact O-CA 3.43Å; Q287-R289 VanDerWaalsContact C-N 3.35Å; R289-D463 PolarHBondContact NH1-O 3.22Å
290L86.1Confident92.8Very high87 Ų8762.6 Ų62.646%0.45528%0.283SS..  trans-79.8149.2180-64.3174.2000111.2I284 K288 P292I284-L290 HydrophobicContact CG2-CB 4.38Å; K288-L290 HydrophobicContact CB-CB 4.45Å; K288-L290 HydrophobicContact CB-CD1 3.82Å; K288-L290 HydrophobicContact CB-CG 3.76Å; K288-L290 HydrophobicContact CD-CD1 4.03Å; K288-L290 PolarHBondContact O-N 3.4Å; K288-L290 VanDerWaalsContact O-N 3.1Å; L290-P292 WeakPolarHBondContact O-CD 3.39Å
291F92.8Very high92.9Very high127 Ų12759.9 Ų59.956%0.55727%0.271SS*.  trans-87.3107.8159-166.8-73.7000106.5L332F291-L332 HydrophobicContact CD2-CB 3.95Å; F291-L332 HydrophobicContact CD2-CD1 4.15Å; F291-L332 HydrophobicContact CE2-CB 3.57Å; F291-L332 HydrophobicContact CE2-CD1 4.31Å; F291-L332 HydrophobicContact CZ-CB 4.36Å
292P93.9Very high92.9Very high4 Ų461.6 Ų61.63%0.02628%0.281CS..  trans-68142.4-173.428.6-34.7000110.8L290 D296 I297 V328 L332L290-P292 WeakPolarHBondContact O-CD 3.39Å; P292-D296 HydrophobicContact CB-CB 4.06Å; P292-I297 HydrophobicContact CB-CD1 4.02Å; P292-I297 HydrophobicContact CB-CG1 4.25Å; P292-I297 HydrophobicContact CG-CD1 3.98Å; P292-I297 HydrophobicContact CG-CG1 4.44Å; P292-V328 HydrophobicContact CG-CG1 4.02Å; P292-L332 HydrophobicContact CG-CD1 4.33Å
293D95.2Very high93Very high70 Ų7063.1 Ų63.137%0.37430%0.295SS..  trans-85-176.7171.891.2-46.7000111T295 D296 I297 F325D293-T295 VanDerWaalsContact C-N 3.28Å; D293-T295 PolarHBondContact O-N 2.92Å; D293-T295 WeakPolarHBondContact OD1-CA 3.28Å; D293-T295 WeakPolarHBondContact OD1-CB 3.48Å; D293-T295 PolarHBondContact OD1-N 3.28Å; D293-T295 WeakPolarHBondContact OD2-CB 3.45Å; D293-T295 PolarHBondContact OD2-N 3Å; D293-T295 PolarHBondContact OD2-OG1 3.06Å; D293-D296 PolarHBondContact OD1-N 3Å; D293-I297 WeakPolarHBondContact O-CG1 3.4Å; D293-I297 PolarHBondContact O-N 3.37Å; D293-F325 VanDerWaalsContact C-CE2 3.44Å
294W96.1Very high93.1Very high90 Ų9060.5 Ų60.534%0.34128%0.283SS..Hα-helixtrans-64.9-35175.1171.477000112I297 Y298 F325W294-I297 PolarHBondContact O-N 2.99Å; W294-Y298 HydrophobicContact CH2-CD1 4.28Å; W294-Y298 HydrophobicContact CH2-CG 4.26Å; W294-Y298 HydrophobicContact CZ2-CD2 4.18Å; W294-Y298 HydrophobicContact CZ2-CG 4.03Å; W294-Y298 VanDerWaalsContact O-CB 3.26Å; W294-Y298 WeakPolarHBondContact O-CB 3.3Å; W294-Y298 PolarHBondContact O-N 2.56Å; W294-F325 HydrophobicContact CB-CD1 4.39Å; W294-F325 HydrophobicContact CB-CD2 4.34Å; W294-F325 HydrophobicContact CB-CE1 4.39Å; W294-F325 HydrophobicContact CB-CE2 4.36Å; W294-F325 HydrophobicContact CB-CG 4.36Å; W294-F325 HydrophobicContact CB-CZ 4.38Å
295T95.8Very high93.2Very high65 Ų6561 Ų6140%0.39929%0.285SS..Hα-helixtrans-66.5-43.2-177.9-41.40000111.6D293 Y298 R299D293-T295 VanDerWaalsContact C-N 3.28Å; D293-T295 PolarHBondContact O-N 2.92Å; D293-T295 WeakPolarHBondContact OD1-CA 3.28Å; D293-T295 WeakPolarHBondContact OD1-CB 3.48Å; D293-T295 PolarHBondContact OD1-N 3.28Å; D293-T295 WeakPolarHBondContact OD2-CB 3.45Å; D293-T295 PolarHBondContact OD2-N 3Å; D293-T295 PolarHBondContact OD2-OG1 3.06Å; T295-Y298 PolarHBondContact O-N 3.03Å; T295-R299 VanDerWaalsContact O-CB 3.32Å; T295-R299 WeakPolarHBondContact O-CB 3.37Å; T295-R299 WeakPolarHBondContact O-CD 3.44Å; T295-R299 WeakPolarHBondContact O-CG 3.33Å; T295-R299 PolarHBondContact O-N 3.33Å
296D95.5Very high93.2Very high33 Ų3368 Ų6818%0.17632%0.315CS..Hα-helixtrans-61-49.5174.8-86.5-24.9000111.6P292 D293 Y298 R299 I300P292-D296 HydrophobicContact CB-CB 4.06Å; D293-D296 PolarHBondContact OD1-N 3Å; D296-Y298 PolarHBondContact O-N 2.98Å; D296-R299 PolarHBondContact O-N 3.23Å; D296-R299 IonicContact OD1-NH1 3.4Å; D296-R299 PolarHBondContact OD1-NH1 3.11Å; D296-I300 VanDerWaalsContact O-CG1 3.3Å; D296-I300 WeakPolarHBondContact O-CG1 3.38Å; D296-I300 PolarHBondContact O-N 3.02Å
297I96.3Very high93.3Very high1 Ų170.7 Ų70.71%0.00533%0.326CS..Hα-helixtrans-62.5-43.6177.4-60.6-60.2000110.9I281 P292 D293 W294 R299 I300 V301 A321 I324 F325I281-I297 HydrophobicContact CD1-CD1 4.45Å; I281-I297 HydrophobicContact CG1-CD1 4.1Å; P292-I297 HydrophobicContact CB-CD1 4.02Å; P292-I297 HydrophobicContact CB-CG1 4.25Å; P292-I297 HydrophobicContact CG-CD1 3.98Å; P292-I297 HydrophobicContact CG-CG1 4.44Å; D293-I297 WeakPolarHBondContact O-CG1 3.4Å; D293-I297 PolarHBondContact O-N 3.37Å; W294-I297 PolarHBondContact O-N 2.99Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 3.13Å; I297-I300 HydrophobicContact CD1-CD1 4.16Å; I297-I300 PolarHBondContact O-N 2.96Å; I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.42Å; I297-A321 HydrophobicContact CG2-CB 4.29Å; I297-A321 WeakPolarHBondContact CG2-O 3.32Å; I297-I324 HydrophobicContact CD1-CG2 4.46Å; I297-I324 HydrophobicContact CG2-CB 3.98Å; I297-I324 HydrophobicContact CG2-CG2 3.64Å; I297-F325 HydrophobicContact CB-CB 4.29Å; I297-F325 HydrophobicContact CG1-CB 4.23Å; I297-F325 HydrophobicContact CG1-CD2 4.16Å; I297-F325 HydrophobicContact CG2-CB 4.22Å
298Y96.8Very high93.6Very high59 Ų5969.3 Ų69.323%0.23132%0.32CS..Hα-helixtrans-62-39.2176.1179.6-109.3000112.5W294 T295 D296 T302 V317 K318 A321W294-Y298 HydrophobicContact CH2-CD1 4.28Å; W294-Y298 HydrophobicContact CH2-CG 4.26Å; W294-Y298 HydrophobicContact CZ2-CD2 4.18Å; W294-Y298 HydrophobicContact CZ2-CG 4.03Å; W294-Y298 VanDerWaalsContact O-CB 3.26Å; W294-Y298 WeakPolarHBondContact O-CB 3.3Å; W294-Y298 PolarHBondContact O-N 2.56Å; T295-Y298 PolarHBondContact O-N 3.03Å; D296-Y298 PolarHBondContact O-N 2.98Å; Y298-T302 WeakPolarHBondContact O-CB 3.03Å; Y298-T302 PolarHBondContact O-N 3.12Å; Y298-T302 PolarHBondContact O-OG1 2.95Å; Y298-V317 HydrophobicContact CD2-CG1 4.16Å; Y298-V317 HydrophobicContact CE2-CG1 3.75Å; Y298-K318 HydrophobicContact CD2-CG 4.22Å; Y298-K318 HydrophobicContact CE2-CB 4.42Å; Y298-K318 HydrophobicContact CE2-CG 3.47Å; Y298-K318 VanDerWaalsContact CE2-CG 3.47Å; Y298-A321 HydrophobicContact CD2-CB 3.99Å
299R95.9Very high93.9Very high153 Ų15370.4 Ų70.458%0.57733%0.327SS*.Hα-helixtrans-64.5-43.7173.8-75.6167.566.4-133.64111.9T295 D296 I297 T302 S303T295-R299 VanDerWaalsContact O-CB 3.32Å; T295-R299 WeakPolarHBondContact O-CB 3.37Å; T295-R299 WeakPolarHBondContact O-CD 3.44Å; T295-R299 WeakPolarHBondContact O-CG 3.33Å; T295-R299 PolarHBondContact O-N 3.33Å; D296-R299 PolarHBondContact O-N 3.23Å; D296-R299 IonicContact OD1-NH1 3.4Å; D296-R299 PolarHBondContact OD1-NH1 3.11Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 3.13Å; R299-T302 PolarHBondContact O-N 2.68Å; R299-S303 WeakPolarHBondContact O-CB 2.97Å; R299-S303 PolarHBondContact O-N 2.93Å
300I95.3Very high94.1Very high14 Ų1465.8 Ų65.87%0.07231%0.313CS..Hα-helixtrans-57.9-54.4175.3-65.3163.2000110.4V277 K280 I281 I284 D296 I297 T302 S303 V304V277-I300 HydrophobicContact CG1-CG2 4.16Å; K280-I300 HydrophobicContact CB-CG1 4.4Å; K280-I300 HydrophobicContact CB-CG2 3.55Å; K280-I300 HydrophobicContact CG-CG2 4.45Å; I281-I300 HydrophobicContact CG1-CD1 3.81Å; I284-I300 HydrophobicContact CD1-CD1 3.72Å; I284-I300 HydrophobicContact CD1-CG1 4.03Å; D296-I300 VanDerWaalsContact O-CG1 3.3Å; D296-I300 WeakPolarHBondContact O-CG1 3.38Å; D296-I300 PolarHBondContact O-N 3.02Å; I297-I300 HydrophobicContact CD1-CD1 4.16Å; I297-I300 PolarHBondContact O-N 2.96Å; I300-T302 VanDerWaalsContact C-N 3.28Å; I300-T302 PolarHBondContact O-N 3.3Å; I300-S303 PolarHBondContact O-N 3Å; I300-S303 VanDerWaalsContact O-N 3.14Å; I300-V304 HydrophobicContact CG2-CG2 4.41Å; I300-V304 WeakPolarHBondContact O-CG2 3.26Å; I300-V304 PolarHBondContact O-N 3.41Å
301V96.1Very high94.3Very high3 Ų368.6 Ų68.62%0.01833%0.328CS..Hα-helixtrans-63.6-36.9-177.6-176.80000110.8V277 I297 N305 V317 L320 A321 I324V277-V301 HydrophobicContact CG1-CG2 4.07Å; I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.42Å; V301-N305 VanDerWaalsContact O-CB 3.24Å; V301-N305 WeakPolarHBondContact O-CB 3.47Å; V301-N305 PolarHBondContact O-N 3.32Å; V301-V317 HydrophobicContact CB-CG1 4.42Å; V301-V317 HydrophobicContact CG1-CG1 4.01Å; V301-L320 HydrophobicContact CG1-CB 4.44Å; V301-L320 HydrophobicContact CG1-CD2 3.8Å; V301-L320 HydrophobicContact CG1-CG 4.14Å; V301-A321 HydrophobicContact CB-CB 4.39Å; V301-A321 HydrophobicContact CG2-CB 4.19Å; V301-I324 HydrophobicContact CG2-CD1 3.92Å
302T95.9Very high94.2Very high37 Ų3764.5 Ų64.523%0.22731%0.312CS..Hα-helixtrans-67.1-36.3175.2-59.40000112.7Y298 R299 I300 K306 V317Y298-T302 WeakPolarHBondContact O-CB 3.03Å; Y298-T302 PolarHBondContact O-N 3.12Å; Y298-T302 PolarHBondContact O-OG1 2.95Å; R299-T302 PolarHBondContact O-N 2.68Å; I300-T302 VanDerWaalsContact C-N 3.28Å; I300-T302 PolarHBondContact O-N 3.3Å; T302-K306 WeakPolarHBondContact O-CG 3.32Å; T302-V317 WeakPolarHBondContact OG1-CG1 3.46Å
303S95.4Very high94.2Very high56 Ų5668.8 Ų68.839%0.39234%0.338SS..Hα-helixtrans-69.6-51.6177.2-151.10000110.5R299 I300 N305 K306 E307R299-S303 WeakPolarHBondContact O-CB 2.97Å; R299-S303 PolarHBondContact O-N 2.93Å; I300-S303 PolarHBondContact O-N 3Å; I300-S303 VanDerWaalsContact O-N 3.14Å; S303-N305 VanDerWaalsContact C-N 3.32Å; S303-N305 PolarHBondContact O-N 2.65Å; S303-K306 WeakPolarHBondContact O-CA 3.39Å; S303-K306 WeakPolarHBondContact O-CB 3.43Å; S303-K306 PolarHBondContact O-N 3.44Å; S303-E307 VanDerWaalsContact C-OE1 3.3Å; S303-E307 WeakPolarHBondContact CB-OE1 3.44Å; S303-E307 WeakPolarHBondContact O-CG 3.39Å; S303-E307 PolarHBondContact O-N 2.91Å; S303-E307 PolarHBondContact OG-OE1 2.87Å
304V95.5Very high94.1Very high1 Ų167.9 Ų67.91%0.00635%0.345CS..Hα-helixtrans-62.5-35.5179.3177.20000112.4K276 V277 I300 K306 E307 E308 L310K276-V304 HydrophobicContact CB-CG1 3.82Å; K276-V304 HydrophobicContact CB-CG2 4.32Å; K276-V304 HydrophobicContact CG-CG1 4.23Å; K276-V304 HydrophobicContact CG-CG2 4.11Å; V277-V304 HydrophobicContact CG2-CB 3.84Å; V277-V304 HydrophobicContact CG2-CG1 3.69Å; V277-V304 HydrophobicContact CG2-CG2 4.05Å; I300-V304 HydrophobicContact CG2-CG2 4.41Å; I300-V304 WeakPolarHBondContact O-CG2 3.26Å; I300-V304 PolarHBondContact O-N 3.41Å; V304-K306 PolarHBondContact O-N 2.99Å; V304-E307 PolarHBondContact O-N 3.4Å; V304-E308 HydrophobicContact CG1-CB 4.37Å; V304-E308 HydrophobicContact CG1-CG 3.77Å; V304-E308 WeakPolarHBondContact O-CB 3.42Å; V304-E308 PolarHBondContact O-N 2.97Å; V304-L310 HydrophobicContact CG1-CD1 4.23Å
305N94.9Very high94Very high27 Ų2767.3 Ų67.314%0.14436%0.355CS..Hα-helixtrans-60.6-29.4173.4-174.141.3000113.1V301 S303 L310 N311 L312 V317V301-N305 VanDerWaalsContact O-CB 3.24Å; V301-N305 WeakPolarHBondContact O-CB 3.47Å; V301-N305 PolarHBondContact O-N 3.32Å; S303-N305 VanDerWaalsContact C-N 3.32Å; S303-N305 PolarHBondContact O-N 2.65Å; N305-L310 PolarHBondContact O-N 3.02Å; N305-L310 WeakPolarHBondContact OD1-CB 3.43Å; N305-N311 PolarHBondContact OD1-N 2.93Å; N305-L312 PolarHBondContact ND2-O 2.72Å; N305-L312 WeakPolarHBondContact OD1-CB 3.5Å; N305-L312 PolarHBondContact OD1-N 2.95Å; N305-V317 HydrophobicContact CB-CG2 4.34Å; N305-V317 WeakPolarHBondContact ND2-CG2 3.4Å
306K94Very high94Very high159 Ų15966 Ų6669%0.69135%0.351SS*.Hα-helixtrans-84.4-43.1174.9-65.5174.5-178.8-177.60112.1T302 S303 V304T302-K306 WeakPolarHBondContact O-CG 3.32Å; S303-K306 WeakPolarHBondContact O-CA 3.39Å; S303-K306 WeakPolarHBondContact O-CB 3.43Å; S303-K306 PolarHBondContact O-N 3.44Å; V304-K306 PolarHBondContact O-N 2.99Å
307E94Very high94Very high98 Ų9864.7 Ų64.746%0.45834%0.344SS..Hα-helixtrans-65.3-52.1-178.3-70.4161.7-128.800111.8S303 V304 Q309S303-E307 VanDerWaalsContact C-OE1 3.3Å; S303-E307 WeakPolarHBondContact CB-OE1 3.44Å; S303-E307 WeakPolarHBondContact O-CG 3.39Å; S303-E307 PolarHBondContact O-N 2.91Å; S303-E307 PolarHBondContact OG-OE1 2.87Å; V304-E307 PolarHBondContact O-N 3.4Å; E307-Q309 VanDerWaalsContact C-N 3.3Å; E307-Q309 PolarHBondContact O-N 3.14Å
308E92.2Very high94Very high101 Ų10169.9 Ų69.947%0.47237%0.366SS..THydrogen-bonded Turntrans-89.26.7-177.4-58.5-72.617000112.7K276 V304 L310K276-E308 HydrophobicContact CB-CG 4.12Å; K276-E308 WeakPolarHBondContact CD-OE1 3.38Å; K276-E308 HydrophobicContact CG-CG 4.3Å; K276-E308 WeakPolarHBondContact CG-OE1 3.28Å; V304-E308 HydrophobicContact CG1-CB 4.37Å; V304-E308 HydrophobicContact CG1-CG 3.77Å; V304-E308 WeakPolarHBondContact O-CB 3.42Å; V304-E308 PolarHBondContact O-N 2.97Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 HydrophobicContact CB-CD1 4.44Å; E308-L310 HydrophobicContact CB-CD2 3.75Å; E308-L310 HydrophobicContact CB-CG 3.85Å; E308-L310 PolarHBondContact O-N 3.38Å; E308-L310 VanDerWaalsContact O-N 3.16Å
309Q88.7Confident94Very high148 Ų14869.7 Ų69.769%0.69237%0.374SS*.THydrogen-bonded Turntrans48.741179.4-55.9-174.812.300114.3E307 N311E307-Q309 VanDerWaalsContact C-N 3.3Å; E307-Q309 PolarHBondContact O-N 3.14Å; Q309-N311 PolarHBondContact O-N 3.35Å; Q309-N311 VanDerWaalsContact O-N 3.08Å; Q309-N311 PolarHBondContact O-ND2 3.39Å
310L89.5Confident94Very high49 Ų4963.9 Ų63.926%0.25735%0.354SS..  trans-68.9-9.7-172.8-54.6176.7000114Y274 V304 N305 E308 L312Y274-L310 HydrophobicContact CD1-CD1 3.62Å; Y274-L310 HydrophobicContact CD1-CD2 3.9Å; Y274-L310 HydrophobicContact CD1-CG 4.41Å; Y274-L310 HydrophobicContact CD2-CD1 4.13Å; Y274-L310 HydrophobicContact CE1-CD1 3.79Å; Y274-L310 HydrophobicContact CE1-CD2 3.84Å; Y274-L310 HydrophobicContact CE1-CG 4.33Å; Y274-L310 HydrophobicContact CE2-CD1 4.28Å; Y274-L310 HydrophobicContact CG-CD1 3.81Å; V304-L310 HydrophobicContact CG1-CD1 4.23Å; N305-L310 PolarHBondContact O-N 3.02Å; N305-L310 WeakPolarHBondContact OD1-CB 3.43Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 HydrophobicContact CB-CD1 4.44Å; E308-L310 HydrophobicContact CB-CD2 3.75Å; E308-L310 HydrophobicContact CB-CG 3.85Å; E308-L310 PolarHBondContact O-N 3.38Å; E308-L310 VanDerWaalsContact O-N 3.16Å; L310-L312 HydrophobicContact CB-CD1 4.3Å; L310-L312 HydrophobicContact CB-CG 3.97Å; L310-L312 HydrophobicContact CD1-CD1 4.36Å; L310-L312 PolarHBondContact O-N 3.13Å; L310-L312 VanDerWaalsContact O-N 3.08Å
311N90.2Very high94Very high145 Ų14563.2 Ų63.278%0.77535%0.351SS*.  trans54.326.1178-66.3-61.6000114.5N305 Q309N305-N311 PolarHBondContact OD1-N 2.93Å; Q309-N311 PolarHBondContact O-N 3.35Å; Q309-N311 VanDerWaalsContact O-N 3.08Å; Q309-N311 PolarHBondContact O-ND2 3.39Å
312L90.9Very high94.1Very high41 Ų4170 Ų7022%0.21538%0.376CS..  trans-70132.6177.2-58176.5000110.2Y274 N305 L310 A316 V317 L320Y274-L312 HydrophobicContact CE2-CD1 4.03Å; N305-L312 PolarHBondContact ND2-O 2.72Å; N305-L312 WeakPolarHBondContact OD1-CB 3.5Å; N305-L312 PolarHBondContact OD1-N 2.95Å; L310-L312 HydrophobicContact CB-CD1 4.3Å; L310-L312 HydrophobicContact CB-CG 3.97Å; L310-L312 HydrophobicContact CD1-CD1 4.36Å; L310-L312 PolarHBondContact O-N 3.13Å; L310-L312 VanDerWaalsContact O-N 3.08Å; L312-A316 HydrophobicContact CB-CB 4.35Å; L312-V317 HydrophobicContact CB-CG2 3.78Å; L312-L320 HydrophobicContact CD1-CD2 3.98Å
313T93.8Very high94.1Very high95 Ų9574.4 Ų74.458%0.58339%0.394SS*.  trans-65.1154175.4690000110.8S315 A316 V317T313-S315 PolarHBondContact O-N 3.09Å; T313-S315 VanDerWaalsContact O-N 3.08Å; T313-A316 WeakPolarHBondContact O-CA 3.37Å; T313-A316 WeakPolarHBondContact O-CB 3.33Å; T313-A316 PolarHBondContact O-N 3.35Å; T313-A316 PolarHBondContact OG1-N 3.47Å; T313-V317 WeakPolarHBondContact O-CG2 3.45Å; T313-V317 PolarHBondContact O-N 3.18Å
314G93.1Very high94.2Very high50 Ų5071.9 Ų71.952%0.51538%0.376SS..Hα-helixtrans-57-27.7179.400000114.1K318G314-K318 WeakPolarHBondContact O-CG 3.29Å; G314-K318 PolarHBondContact O-N 3.4Å; G314-K318 VanDerWaalsContact O-N 3.13Å
315S94.7Very high94.2Very high78 Ų7875 Ų7555%0.54539%0.39SS..Hα-helixtrans-71.5-45.9171.8-179.90000111.9T313 V317 K318 S319T313-S315 PolarHBondContact O-N 3.09Å; T313-S315 VanDerWaalsContact O-N 3.08Å; S315-V317 VanDerWaalsContact C-N 3.34Å; S315-V317 PolarHBondContact O-N 2.85Å; S315-K318 PolarHBondContact O-N 3.49Å; S315-S319 PolarHBondContact O-N 3.48Å; S315-S319 PolarHBondContact O-OG 2.77Å
316A94.5Very high94.3Very high38 Ų3878.2 Ų78.231%0.31441%0.406SS..Hα-helixtrans-61-41.3175.800000112.1L312 T313 S319 L320L312-A316 HydrophobicContact CB-CB 4.35Å; T313-A316 WeakPolarHBondContact O-CA 3.37Å; T313-A316 WeakPolarHBondContact O-CB 3.33Å; T313-A316 PolarHBondContact O-N 3.35Å; T313-A316 PolarHBondContact OG1-N 3.47Å; A316-S319 PolarHBondContact O-N 3.29Å; A316-L320 VanDerWaalsContact O-CB 3.27Å; A316-L320 WeakPolarHBondContact O-CB 3.44Å; A316-L320 PolarHBondContact O-N 3.31Å
317V96.1Very high94.5Very high5 Ų573.7 Ų73.73%0.0339%0.389CS..Hα-helixtrans-60.3-44.9173.7175.30000111.3Y298 V301 T302 N305 L312 T313 S315 A321Y298-V317 HydrophobicContact CD2-CG1 4.16Å; Y298-V317 HydrophobicContact CE2-CG1 3.75Å; V301-V317 HydrophobicContact CB-CG1 4.42Å; V301-V317 HydrophobicContact CG1-CG1 4.01Å; T302-V317 WeakPolarHBondContact OG1-CG1 3.46Å; N305-V317 HydrophobicContact CB-CG2 4.34Å; N305-V317 WeakPolarHBondContact ND2-CG2 3.4Å; L312-V317 HydrophobicContact CB-CG2 3.78Å; T313-V317 WeakPolarHBondContact O-CG2 3.45Å; T313-V317 PolarHBondContact O-N 3.18Å; S315-V317 VanDerWaalsContact C-N 3.34Å; S315-V317 PolarHBondContact O-N 2.85Å; V317-A321 WeakPolarHBondContact O-CB 3.47Å; V317-A321 PolarHBondContact O-N 2.77Å
318K96.6Very high94.6Very high110 Ų11069.1 Ų69.148%0.47837%0.368SS..Hα-helixtrans-64.5-38177.2-76.6-177.7-179.6-171.80112.9Y298 G314 S315 R322Y298-K318 HydrophobicContact CD2-CG 4.22Å; Y298-K318 HydrophobicContact CE2-CB 4.42Å; Y298-K318 HydrophobicContact CE2-CG 3.47Å; Y298-K318 VanDerWaalsContact CE2-CG 3.47Å; G314-K318 WeakPolarHBondContact O-CG 3.29Å; G314-K318 PolarHBondContact O-N 3.4Å; G314-K318 VanDerWaalsContact O-N 3.13Å; S315-K318 PolarHBondContact O-N 3.49Å; K318-R322 WeakPolarHBondContact O-CB 3.46Å; K318-R322 PolarHBondContact O-N 2.74Å
319S96Very high94.7Very high55 Ų5565 Ų6539%0.38535%0.353SS..Hα-helixtrans-70.2-50.1176.4-63.40000111.9S315 A316 A321 R322 E323S315-S319 PolarHBondContact O-N 3.48Å; S315-S319 PolarHBondContact O-OG 2.77Å; A316-S319 PolarHBondContact O-N 3.29Å; S319-A321 VanDerWaalsContact C-N 3.33Å; S319-A321 PolarHBondContact O-N 3.19Å; S319-R322 WeakPolarHBondContact O-CA 3.4Å; S319-R322 WeakPolarHBondContact O-CB 3.32Å; S319-R322 PolarHBondContact O-N 2.85Å; S319-E323 PolarHBondContact O-N 3.01Å
320L95.9Very high95.1Very high32 Ų3264 Ų6417%0.16835%0.348CS..Hα-helixtrans-59.1-43178.2-18060.1000111.8Y274 V301 L312 A316 R322 E323 I324Y274-L320 HydrophobicContact CD2-CD2 3.97Å; Y274-L320 HydrophobicContact CE2-CD2 3.79Å; V301-L320 HydrophobicContact CG1-CB 4.44Å; V301-L320 HydrophobicContact CG1-CD2 3.8Å; V301-L320 HydrophobicContact CG1-CG 4.14Å; L312-L320 HydrophobicContact CD1-CD2 3.98Å; A316-L320 VanDerWaalsContact O-CB 3.27Å; A316-L320 WeakPolarHBondContact O-CB 3.44Å; A316-L320 PolarHBondContact O-N 3.31Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 3.23Å; L320-E323 PolarHBondContact O-N 3.09Å; L320-I324 HydrophobicContact CD1-CD1 3.79Å; L320-I324 HydrophobicContact CD1-CG1 4.23Å; L320-I324 HydrophobicContact CG-CD1 3.82Å; L320-I324 WeakPolarHBondContact O-CB 3.43Å; L320-I324 WeakPolarHBondContact O-CD1 3.39Å; L320-I324 VanDerWaalsContact O-CG1 3.23Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 2.97Å
321A97Very high95.4Very high0 Ų064.2 Ų64.20%035%0.351CS..Hα-helixtrans-62.6-34.2174.100000113I297 Y298 V301 V317 S319 F325I297-A321 HydrophobicContact CG2-CB 4.29Å; I297-A321 WeakPolarHBondContact CG2-O 3.32Å; Y298-A321 HydrophobicContact CD2-CB 3.99Å; V301-A321 HydrophobicContact CB-CB 4.39Å; V301-A321 HydrophobicContact CG2-CB 4.19Å; V317-A321 WeakPolarHBondContact O-CB 3.47Å; V317-A321 PolarHBondContact O-N 2.77Å; S319-A321 VanDerWaalsContact C-N 3.33Å; S319-A321 PolarHBondContact O-N 3.19Å; A321-F325 WeakPolarHBondContact O-CB 3.28Å; A321-F325 PolarHBondContact O-N 2.93Å
322R97.1Very high95.6Very high144 Ų14458.1 Ų58.154%0.54332%0.318SS..Hα-helixtrans-69.3-45.4176-176-174.9-57-73-1.1111.8K318 S319 L320 F325 I326K318-R322 WeakPolarHBondContact O-CB 3.46Å; K318-R322 PolarHBondContact O-N 2.74Å; S319-R322 WeakPolarHBondContact O-CA 3.4Å; S319-R322 WeakPolarHBondContact O-CB 3.32Å; S319-R322 PolarHBondContact O-N 2.85Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 3.23Å; R322-F325 PolarHBondContact O-N 2.73Å; R322-I326 HydrophobicContact CG-CD1 4.06Å; R322-I326 VanDerWaalsContact O-CG1 3.3Å; R322-I326 WeakPolarHBondContact O-CG1 3.28Å; R322-I326 PolarHBondContact O-N 3.47Å
323E96.4Very high95.8Very high130 Ų13061.5 Ų61.561%0.60733%0.332SS*.Hα-helixtrans-60.2-49.4177.8-71.5166.9-159.500110.9S319 L320 F325 I326 D327S319-E323 PolarHBondContact O-N 3.01Å; L320-E323 PolarHBondContact O-N 3.09Å; E323-F325 PolarHBondContact O-N 3.21Å; E323-I326 PolarHBondContact O-N 3.41Å; E323-D327 PolarHBondContact O-N 3.37Å
324I96.6Very high95.9Very high4 Ų462.5 Ų62.52%0.02133%0.329CS..Hα-helixtrans-62-43.9176.8-67.5170000111.5Y269 C272 V277 I281 I297 V301 L320 I326 D327 V328Y269-I324 HydrophobicContact CE1-CG2 4.23Å; C272-I324 HydrophobicContact CB-CD1 3.81Å; C272-I324 HydrophobicContact CB-CG1 4.27Å; V277-I324 HydrophobicContact CG1-CD1 3.8Å; I281-I324 HydrophobicContact CD1-CG2 3.42Å; I281-I324 VanDerWaalsContact CD1-CG2 3.42Å; I297-I324 HydrophobicContact CD1-CG2 4.46Å; I297-I324 HydrophobicContact CG2-CB 3.98Å; I297-I324 HydrophobicContact CG2-CG2 3.64Å; V301-I324 HydrophobicContact CG2-CD1 3.92Å; L320-I324 HydrophobicContact CD1-CD1 3.79Å; L320-I324 HydrophobicContact CD1-CG1 4.23Å; L320-I324 HydrophobicContact CG-CD1 3.82Å; L320-I324 WeakPolarHBondContact O-CB 3.43Å; L320-I324 WeakPolarHBondContact O-CD1 3.39Å; L320-I324 VanDerWaalsContact O-CG1 3.23Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 2.97Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 2.92Å; I324-D327 PolarHBondContact O-N 2.72Å; I324-V328 HydrophobicContact CG2-CG2 3.92Å; I324-V328 VanDerWaalsContact O-CB 3.3Å; I324-V328 WeakPolarHBondContact O-CB 3.39Å; I324-V328 VanDerWaalsContact O-CG2 3.26Å; I324-V328 WeakPolarHBondContact O-CG2 3.39Å; I324-V328 PolarHBondContact O-N 3.2Å
325F97.2Very high96Very high66 Ų6661.9 Ų61.929%0.28931%0.312SS..Hα-helixtrans-60.4-39.6178.1171.6-107.3000112.1D293 W294 I297 A321 R322 E323 G329D293-F325 VanDerWaalsContact C-CE2 3.44Å; W294-F325 HydrophobicContact CB-CD1 4.39Å; W294-F325 HydrophobicContact CB-CD2 4.34Å; W294-F325 HydrophobicContact CB-CE1 4.39Å; W294-F325 HydrophobicContact CB-CE2 4.36Å; W294-F325 HydrophobicContact CB-CG 4.36Å; W294-F325 HydrophobicContact CB-CZ 4.38Å; I297-F325 HydrophobicContact CB-CB 4.29Å; I297-F325 HydrophobicContact CG1-CB 4.23Å; I297-F325 HydrophobicContact CG1-CD2 4.16Å; I297-F325 HydrophobicContact CG2-CB 4.22Å; A321-F325 WeakPolarHBondContact O-CB 3.28Å; A321-F325 PolarHBondContact O-N 2.93Å; R322-F325 PolarHBondContact O-N 2.73Å; E323-F325 PolarHBondContact O-N 3.21Å; F325-G329 WeakPolarHBondContact O-CA 3.29Å; F325-G329 PolarHBondContact O-N 2.83Å
326I96.8Very high96Very high94 Ų9466.4 Ų66.448%0.48232%0.317SS..Hα-helixtrans-66.5-46.7176.3-68.5165.5000110.8R322 E323 I324 G329 H330R322-I326 HydrophobicContact CG-CD1 4.06Å; R322-I326 VanDerWaalsContact O-CG1 3.3Å; R322-I326 WeakPolarHBondContact O-CG1 3.28Å; R322-I326 PolarHBondContact O-N 3.47Å; E323-I326 PolarHBondContact O-N 3.41Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 2.92Å; I326-G329 PolarHBondContact O-N 3.4Å; I326-H330 WeakPolarHBondContact O-CB 3.25Å; I326-H330 PolarHBondContact O-CD2 3.4Å; I326-H330 PolarHBondContact O-N 3.39Å
327D96.6Very high96.1Very high65 Ų6569.5 Ų69.535%0.34833%0.325SS..Hα-helixtrans-68.3-47.2-177.8-178.938.4000112.9Y269 E323 I324 H330 T331Y269-D327 WeakPolarHBondContact CE2-OD2 3.41Å; Y269-D327 VanDerWaalsContact CZ-OD2 3.3Å; Y269-D327 PolarHBondContact OH-OD2 3.09Å; E323-D327 PolarHBondContact O-N 3.37Å; I324-D327 PolarHBondContact O-N 2.72Å; D327-H330 PolarHBondContact O-N 3.03Å; D327-T331 WeakPolarHBondContact O-CB 3.4Å; D327-T331 PolarHBondContact O-N 2.88Å; D327-T331 PolarHBondContact O-OG1 3.12Å
328V96Very high96.1Very high1 Ų171.6 Ų71.61%0.00634%0.336CS..Hα-helixtrans-60.2-46.8172.3174.40000110.2Y269 I281 P292 I324 H330 T331 L332Y269-V328 HydrophobicContact CD1-CG2 4.31Å; Y269-V328 HydrophobicContact CD2-CG2 3.92Å; Y269-V328 HydrophobicContact CE1-CG2 3.93Å; Y269-V328 HydrophobicContact CE2-CG2 3.51Å; Y269-V328 HydrophobicContact CG-CG2 4.31Å; I281-V328 HydrophobicContact CD1-CG2 4.3Å; I281-V328 HydrophobicContact CG2-CG1 4.24Å; I281-V328 HydrophobicContact CG2-CG2 3.83Å; P292-V328 HydrophobicContact CG-CG1 4.02Å; I324-V328 HydrophobicContact CG2-CG2 3.92Å; I324-V328 VanDerWaalsContact O-CB 3.3Å; I324-V328 WeakPolarHBondContact O-CB 3.39Å; I324-V328 VanDerWaalsContact O-CG2 3.26Å; I324-V328 WeakPolarHBondContact O-CG2 3.39Å; I324-V328 PolarHBondContact O-N 3.2Å; V328-H330 PolarHBondContact O-N 3.46Å; V328-T331 PolarHBondContact O-N 3.45Å; V328-L332 HydrophobicContact CG1-CD1 3.69Å; V328-L332 HydrophobicContact CG1-CG 4.15Å; V328-L332 WeakPolarHBondContact O-CB 3.39Å; V328-L332 VanDerWaalsContact O-CG 3.29Å; V328-L332 WeakPolarHBondContact O-CG 3.45Å; V328-L332 PolarHBondContact O-N 2.88Å
329G95.6Very high96Very high15 Ų1567 Ų6716%0.15532%0.316CS..Hα-helixtrans-60.8-42.5178.700000113.1F325 I326 K333F325-G329 WeakPolarHBondContact O-CA 3.29Å; F325-G329 PolarHBondContact O-N 2.83Å; I326-G329 PolarHBondContact O-N 3.4Å; G329-K333 WeakPolarHBondContact O-CB 3.42Å; G329-K333 PolarHBondContact O-N 3.28Å
330H95.9Very high95.9Very high127 Ų12769.4 Ų69.459%0.58832%0.324SS*.Hα-helixtrans-63.1-47.3172.9-97.9-100.7000112I326 D327 V328 K333 Q334I326-H330 WeakPolarHBondContact O-CB 3.25Å; I326-H330 PolarHBondContact O-CD2 3.4Å; I326-H330 PolarHBondContact O-N 3.39Å; D327-H330 PolarHBondContact O-N 3.03Å; V328-H330 PolarHBondContact O-N 3.46Å; H330-K333 PolarHBondContact O-N 2.85Å; H330-Q334 WeakPolarHBondContact O-CB 3.41Å; H330-Q334 PolarHBondContact O-N 2.85Å
331T95.6Very high95.8Very high54 Ų5477.3 Ų77.333%0.33135%0.352SS..Hα-helixtrans-64.8-42.7-177.7-55.10000111.5F267 D327 V328 R335F267-T331 HydrophobicContact CE2-CG2 3.79Å; F267-T331 HydrophobicContact CZ-CG2 4.32Å; D327-T331 WeakPolarHBondContact O-CB 3.4Å; D327-T331 PolarHBondContact O-N 2.88Å; D327-T331 PolarHBondContact O-OG1 3.12Å; V328-T331 PolarHBondContact O-N 3.45Å; T331-R335 VanDerWaalsContact O-CB 3.28Å; T331-R335 WeakPolarHBondContact O-CB 3.38Å; T331-R335 PolarHBondContact O-N 2.85Å
332L95.4Very high95.5Very high16 Ų1682.3 Ų82.38%0.08438%0.375CS..Hα-helixtrans-69-39.4176.1-66.6177.8000112.5F267 V285 F291 P292 V328 R335 R336F267-L332 HydrophobicContact CD2-CD2 3.83Å; F267-L332 HydrophobicContact CE1-CD2 4.38Å; F267-L332 HydrophobicContact CE2-CD2 3.53Å; F267-L332 HydrophobicContact CE2-CG 4.25Å; F267-L332 HydrophobicContact CG-CD2 4.38Å; F267-L332 HydrophobicContact CZ-CD2 3.84Å; F267-L332 HydrophobicContact CZ-CG 4.23Å; V285-L332 HydrophobicContact CG1-CD2 3.73Å; V285-L332 HydrophobicContact CG2-CD1 4.06Å; V285-L332 HydrophobicContact CG2-CD2 4.42Å; F291-L332 HydrophobicContact CD2-CB 3.95Å; F291-L332 HydrophobicContact CD2-CD1 4.15Å; F291-L332 HydrophobicContact CE2-CB 3.57Å; F291-L332 HydrophobicContact CE2-CD1 4.31Å; F291-L332 HydrophobicContact CZ-CB 4.36Å; P292-L332 HydrophobicContact CG-CD1 4.33Å; V328-L332 HydrophobicContact CG1-CD1 3.69Å; V328-L332 HydrophobicContact CG1-CG 4.15Å; V328-L332 WeakPolarHBondContact O-CB 3.39Å; V328-L332 VanDerWaalsContact O-CG 3.29Å; V328-L332 WeakPolarHBondContact O-CG 3.45Å; V328-L332 PolarHBondContact O-N 2.88Å; L332-R335 PolarHBondContact O-N 3Å; L332-R336 PolarHBondContact O-N 3.07Å
333K95.6Very high95.2Very high113 Ų11378.6 Ų78.649%0.49137%0.366SS..Hα-helixtrans-60.5-49.7173.7177.2-179.5174.5-178.70111G329 H330 R336 Q337G329-K333 WeakPolarHBondContact O-CB 3.42Å; G329-K333 PolarHBondContact O-N 3.28Å; H330-K333 PolarHBondContact O-N 2.85Å; K333-R336 PolarHBondContact O-N 2.75Å; K333-Q337 WeakPolarHBondContact O-CG 3.49Å; K333-Q337 PolarHBondContact O-N 3.06Å
334Q95.8Very high95.1Very high115 Ų11579.6 Ų79.654%0.53737%0.369SS..Hα-helixtrans-59.3-48.4176.4179.8179.7-16.700110.5H330 R336 Q337 D338H330-Q334 WeakPolarHBondContact O-CB 3.41Å; H330-Q334 PolarHBondContact O-N 2.85Å; Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.12Å; Q334-Q337 CarbonylContact O-C 3.51Å; Q334-Q337 WeakPolarHBondContact O-CA 3.32Å; Q334-Q337 WeakPolarHBondContact O-CB 3.45Å; Q334-Q337 PolarHBondContact O-N 3.35Å; Q334-D338 WeakPolarHBondContact CG-OD2 3.38Å; Q334-D338 PolarHBondContact NE2-OD2 3.42Å; Q334-D338 PolarHBondContact O-N 3.39Å
335R95.1Very high94.9Very high37 Ų3781.7 Ų81.714%0.1439%0.391CS..Hα-helixtrans-53.8-41.5178.2-174.7-174179.6-163.41.1112.6I262 L263 Q265 T331 L332 D339I262-R335 HydrophobicContact CG2-CG 3.84Å; I262-R335 PolarHBondContact O-NE 2.88Å; I262-R335 VanDerWaalsContact O-NE 3.13Å; I262-R335 PolarHBondContact O-NH2 3.07Å; L263-R335 VanDerWaalsContact C-NH2 3.32Å; L263-R335 HydrophobicContact CD2-CG 4.3Å; L263-R335 PolarHBondContact O-NH2 3.4Å; Q265-R335 PolarHBondContact O-NH2 3.32Å; T331-R335 VanDerWaalsContact O-CB 3.28Å; T331-R335 WeakPolarHBondContact O-CB 3.38Å; T331-R335 PolarHBondContact O-N 2.85Å; L332-R335 PolarHBondContact O-N 3Å; R335-D339 WeakPolarHBondContact O-CB 2.86Å; R335-D339 PolarHBondContact O-N 3.05Å
336R95Very high94.8Very high173 Ų17379.9 Ų79.965%0.65339%0.387SS*.Hα-helixtrans-70.5-35.2175.8-168178.772.4153.62.3112.6L332 K333 Q334 L340L332-R336 PolarHBondContact O-N 3.07Å; K333-R336 PolarHBondContact O-N 2.75Å; Q334-R336 VanDerWaalsContact C-N 3.26Å; Q334-R336 PolarHBondContact O-N 3.12Å; R336-L340 WeakPolarHBondContact O-CB 3.32Å; R336-L340 PolarHBondContact O-N 3.46Å
337Q96.2Very high94.7Very high103 Ų10377.8 Ų77.848%0.48138%0.375SS..Hα-helixtrans-69.4-34.9174.6-69.8178.1-65.700112.2K333 Q334 R341K333-Q337 WeakPolarHBondContact O-CG 3.49Å; K333-Q337 PolarHBondContact O-N 3.06Å; Q334-Q337 CarbonylContact O-C 3.51Å; Q334-Q337 WeakPolarHBondContact O-CA 3.32Å; Q334-Q337 WeakPolarHBondContact O-CB 3.45Å; Q334-Q337 PolarHBondContact O-N 3.35Å; Q337-R341 WeakPolarHBondContact O-CB 3.45Å; Q337-R341 PolarHBondContact O-N 2.96Å
338D95.5Very high94.7Very high50 Ų5079.6 Ų79.627%0.26738%0.384SS..Hα-helixtrans-76.7-34.9177.3-70.1-22.7000112I262 Q334 R341 H342I262-D338 HydrophobicContact CD1-CB 4.34Å; Q334-D338 WeakPolarHBondContact CG-OD2 3.38Å; Q334-D338 PolarHBondContact NE2-OD2 3.42Å; Q334-D338 PolarHBondContact O-N 3.39Å; D338-R341 PolarHBondContact O-N 2.83Å; D338-R341 IonicContact OD1-NE 3.61Å; D338-R341 IonicContact OD1-NH2 3.08Å; D338-H342 WeakPolarHBondContact O-CB 3.46Å; D338-H342 PolarHBondContact O-N 3.03Å; D338-H342 VanDerWaalsContact O-N 3.08Å
339D95.3Very high94.6Very high12 Ų1282.3 Ų82.36%0.06440%0.401CS..Hα-helixtrans-62.7-49.3169.2-165.482.1000111.3I262 L263 R335 R341 H342 D343I262-D339 VanDerWaalsContact CA-OD1 3.31Å; I262-D339 WeakPolarHBondContact CA-OD1 3.3Å; I262-D339 HydrophobicContact CB-CB 3.92Å; I262-D339 WeakPolarHBondContact CB-OD1 3.36Å; I262-D339 HydrophobicContact CG2-CB 4.34Å; I262-D339 PolarHBondContact N-OD1 3.39Å; L263-D339 HydrophobicContact CD1-CB 4.19Å; L263-D339 WeakPolarHBondContact CD1-OD2 3.36Å; L263-D339 HydrophobicContact CG-CB 3.78Å; L263-D339 PolarHBondContact N-OD1 2.74Å; R335-D339 WeakPolarHBondContact O-CB 2.86Å; R335-D339 PolarHBondContact O-N 3.05Å; D339-R341 VanDerWaalsContact C-N 3.35Å; D339-R341 PolarHBondContact O-N 3.41Å; D339-H342 PolarHBondContact O-N 3.4Å; D339-D343 PolarHBondContact O-N 3.5Å; D339-D343 VanDerWaalsContact O-N 3.09Å
340L94.4Very high94.5Very high106 Ų10687.4 Ų87.456%0.55542%0.424SS*.Hα-helixtrans-55.6-48.9174178.762.6000111.2R336 H342 D343 F344R336-L340 WeakPolarHBondContact O-CB 3.32Å; R336-L340 PolarHBondContact O-N 3.46Å; L340-H342 PolarHBondContact O-N 3.45Å; L340-D343 PolarHBondContact O-N 3.28Å; L340-F344 HydrophobicContact CD1-CB 4.34Å; L340-F344 HydrophobicContact CD1-CD2 4.06Å; L340-F344 WeakPolarHBondContact O-CB 3.38Å; L340-F344 PolarHBondContact O-N 3.24Å
341R92.4Very high94.3Very high198 Ų19888.4 Ų88.475%0.74743%0.434SS*.Hα-helixtrans-65.5-20.3179.6-157.6-157.2-49.3-1203.9113.6Q337 D338 D339Q337-R341 WeakPolarHBondContact O-CB 3.45Å; Q337-R341 PolarHBondContact O-N 2.96Å; D338-R341 PolarHBondContact O-N 2.83Å; D338-R341 IonicContact OD1-NE 3.61Å; D338-R341 IonicContact OD1-NH2 3.08Å; D339-R341 VanDerWaalsContact C-N 3.35Å; D339-R341 PolarHBondContact O-N 3.41Å
342H91.5Very high94.1Very high106 Ų10692.9 Ų92.949%0.49146%0.455SS..Hα-helixtrans-84.3-35.9177.1-164.4-19.2000112.3I262 D338 D339 L340I262-H342 HydrophobicContact CD1-CB 4.07Å; D338-H342 WeakPolarHBondContact O-CB 3.46Å; D338-H342 PolarHBondContact O-N 3.03Å; D338-H342 VanDerWaalsContact O-N 3.08Å; D339-H342 PolarHBondContact O-N 3.4Å; L340-H342 PolarHBondContact O-N 3.45Å
343D91.2Very high93.8Very high65 Ų6594.7 Ų94.735%0.34847%0.469SS..Hα-helixtrans-115.416-168.4-81.941.1000113.2R261 D339 L340R261-D343 WeakPolarHBondContact CG-OD2 3.44Å; R261-D343 IonicContact CZ-OD2 2.74Å; R261-D343 VanDerWaalsContact CZ-OD2 3.24Å; R261-D343 IonicContact NE-OD2 3.55Å; R261-D343 PolarHBondContact NE-OD2 2.8Å; R261-D343 IonicContact NH2-OD2 2.73Å; R261-D343 PolarHBondContact NH2-OD2 3.01Å; D339-D343 PolarHBondContact O-N 3.5Å; D339-D343 VanDerWaalsContact O-N 3.09Å; L340-D343 PolarHBondContact O-N 3.28Å
344F93.2Very high93.4Very high151 Ų15196.2 Ų96.266%0.66248%0.482SS*.  trans-87.4134.7179.9178.4-92.9000112.7L340L340-F344 HydrophobicContact CD1-CB 4.34Å; L340-F344 HydrophobicContact CD1-CD2 4.06Å; L340-F344 WeakPolarHBondContact O-CB 3.38Å; L340-F344 PolarHBondContact O-N 3.24Å
345G93.6Very high93.1Very high48 Ų4897.3 Ų97.350%0.49549%0.492SS..SBendtrans94.2-152.217100000114.3T349G345-T349 WeakPolarHBondContact CA-OG1 3.26Å
346C94.6Very high92.9Very high29 Ų29101.5 Ų101.520%0.19652%0.517CS..  trans-150-168.917664.90000110.2L348 T349 D350C346-L348 PolarHBondContact O-N 3.03Å; C346-T349 PolarHBondContact N-OG1 3.14Å; C346-T349 PolarHBondContact O-N 3.44Å; C346-T349 PolarHBondContact O-OG1 3.08Å; C346-D350 PolarHBondContact O-N 3.25Å; C346-D350 VanDerWaalsContact O-N 3.11Å
347H95.2Very high92.8Very high50 Ų5096.2 Ų96.223%0.23150%0.501CS..THydrogen-bonded Turntrans-58.9-21.1179.361.5-66.3000114.3E216 E217 T349 D350E216-H347 IonicContact OE2-CE1 3Å; E216-H347 IonicContact OE2-ND1 2.78Å; E217-H347 IonicContact OE1-CD2 2.71Å; E217-H347 IonicContact OE1-CE1 3.24Å; E217-H347 IonicContact OE1-NE2 3.36Å; E217-H347 PolarHBondContact OE1-NE2 3.24Å; H347-T349 PolarHBondContact O-N 2.85Å; H347-D350 WeakPolarHBondContact CA-OD2 3.3Å
348L95.6Very high92.7Very high103 Ų10394.9 Ų94.954%0.53950%0.501SS..THydrogen-bonded Turntrans-73.5-12.9173.8-55.4179.6000113.4E216 E217 C346E216-L348 WeakPolarHBondContact O-CD1 3.37Å; E217-L348 HydrophobicContact CG-CD1 4.16Å; E217-L348 HydrophobicContact CG-CD2 3.96Å; E217-L348 HydrophobicContact CG-CG 4.49Å; C346-L348 PolarHBondContact O-N 3.03Å
349T94.9Very high92.6Very high58 Ų5893 Ų9336%0.35649%0.492SS..THydrogen-bonded Turntrans-122.9-11.4-177.851.80000114.1G345 C346 H347 D351 L352G345-T349 WeakPolarHBondContact CA-OG1 3.26Å; C346-T349 PolarHBondContact N-OG1 3.14Å; C346-T349 PolarHBondContact O-N 3.44Å; C346-T349 PolarHBondContact O-OG1 3.08Å; H347-T349 PolarHBondContact O-N 2.85Å; T349-D351 VanDerWaalsContact C-N 3.25Å; T349-D351 PolarHBondContact O-N 2.95Å; T349-L352 VanDerWaalsContact O-CB 3.26Å; T349-L352 WeakPolarHBondContact O-CB 3.5Å; T349-L352 PolarHBondContact O-N 3.14Å; T349-L352 VanDerWaalsContact O-N 3.13Å
350D93.2Very high92.4Very high122 Ų12299.9 Ų99.965%0.65252%0.518SS*.THydrogen-bonded Turntrans-58.9-30.9-176.2-79.3-24000113.9C346 H347C346-D350 PolarHBondContact O-N 3.25Å; C346-D350 VanDerWaalsContact O-N 3.11Å; H347-D350 WeakPolarHBondContact CA-OD2 3.3Å
351D91.7Very high92.3Very high147 Ų14799.9 Ų99.979%0.78653%0.527SS*.THydrogen-bonded Turntrans-94.28.2-179.7-83.7-48.6000114.1T349 C353T349-D351 VanDerWaalsContact C-N 3.25Å; T349-D351 PolarHBondContact O-N 2.95Å; D351-C353 PolarHBondContact O-N 3.31Å
352L90.8Very high92.4Very high148 Ų14892.6 Ų92.678%0.77551%0.507SS*.  trans-58127.1-179.7-179.665.9000112.2T349T349-L352 VanDerWaalsContact O-CB 3.26Å; T349-L352 WeakPolarHBondContact O-CB 3.5Å; T349-L352 PolarHBondContact O-N 3.14Å; T349-L352 VanDerWaalsContact O-N 3.13Å
353C89Confident92.6Very high55 Ų5596 Ų9637%0.37252%0.515SS..  trans-122.1137.6176.6-1530000112D351 D355 D356D351-C353 PolarHBondContact O-N 3.31Å; C353-D355 PolarHBondContact O-N 3.01Å; C353-D355 VanDerWaalsContact O-N 3.15Å; C353-D356 VanDerWaalsContact CB-OD2 3.28Å; C353-D356 WeakPolarHBondContact CB-OD2 3.37Å; C353-D356 PolarHBondContact O-N 3.02Å; C353-D356 VanDerWaalsContact O-N 3.12Å
354D87.7Confident92.8Very high145 Ų14596.8 Ų96.878%0.77552%0.519SS*.G310 helixtrans-60.6-23.1177.7-64.5-41.8000112.9Y360D354-Y360 WeakPolarHBondContact O-CE2 3.34Å
355D89Confident93Very high138 Ų13892.5 Ų92.574%0.73850%0.503SS*.G310 helixtrans-75.8-21.7179.2-70.1-34.8000112.9C353C353-D355 PolarHBondContact O-N 3.01Å; C353-D355 VanDerWaalsContact O-N 3.15Å
356D90.3Very high93.2Very high124 Ų12494.9 Ų94.966%0.66350%0.497SS*.G310 helixtrans-92.77.7-171.1-65.7-47.7000113.8C353 P358C353-D356 VanDerWaalsContact CB-OD2 3.28Å; C353-D356 WeakPolarHBondContact CB-OD2 3.37Å; C353-D356 PolarHBondContact O-N 3.02Å; C353-D356 VanDerWaalsContact O-N 3.12Å; D356-P358 WeakPolarHBondContact O-CD 3.41Å
357D93Very high93.3Very high63 Ų63100.1 Ų100.134%0.33751%0.513SS..  trans-64.9120.5179.3169.420.9000112.3T359 Y360D357-T359 PolarHBondContact O-N 3.31Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 2.82Å; D357-T359 WeakPolarHBondContact OD2-CB 3.47Å; D357-T359 PolarHBondContact OD2-OG1 3.24Å; D357-Y360 HydrophobicContact CB-CD2 3.89Å; D357-Y360 HydrophobicContact CB-CE2 3.8Å; D357-Y360 VanDerWaalsContact O-CD2 3.24Å; D357-Y360 WeakPolarHBondContact O-CD2 3.26Å; D357-Y360 PolarHBondContact O-N 2.91Å
358P95.2Very high93.4Very high74 Ų74103.3 Ų103.348%0.48153%0.526SS..THydrogen-bonded Turntrans-62.7-8.2178.326.4-35.5000114.9D356 Y360 S361 S362 L365D356-P358 WeakPolarHBondContact O-CD 3.41Å; P358-Y360 PolarHBondContact O-N 3.12Å; P358-S361 PolarHBondContact O-N 3.5Å; P358-S361 PolarHBondContact O-OG 3.28Å; P358-S362 WeakPolarHBondContact O-CB 3.35Å; P358-S362 PolarHBondContact O-N 3.03Å; P358-L365 HydrophobicContact CB-CD2 4.01Å; P358-L365 HydrophobicContact CG-CD2 3.97Å
359T92.7Very high93.5Very high11 Ų11102.3 Ų102.37%0.06752%0.521CS..THydrogen-bonded Turntrans-66-21167.978.90000113.4D357 L365 R366 L369D357-T359 PolarHBondContact O-N 3.31Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 2.82Å; D357-T359 WeakPolarHBondContact OD2-CB 3.47Å; D357-T359 PolarHBondContact OD2-OG1 3.24Å; T359-L365 HydrophobicContact CG2-CD2 4.35Å; T359-L365 HydrophobicContact CG2-CG 4.28Å; T359-R366 PolarHBondContact O-NE 3.35Å; T359-R366 PolarHBondContact O-NH2 2.66Å; T359-R366 PolarHBondContact OG1-NH1 2.88Å; T359-R366 PolarHBondContact OG1-NH2 3.34Å; T359-L369 HydrophobicContact CG2-CD1 3.7Å
360Y91.8Very high93.6Very high156 Ų156104.1 Ų104.161%0.61253%0.531SS*.THydrogen-bonded Turntrans-70.3-34.6176.9-66.7-63.3000112.7D354 D357 P358 R366D354-Y360 WeakPolarHBondContact O-CE2 3.34Å; D357-Y360 HydrophobicContact CB-CD2 3.89Å; D357-Y360 HydrophobicContact CB-CE2 3.8Å; D357-Y360 VanDerWaalsContact O-CD2 3.24Å; D357-Y360 WeakPolarHBondContact O-CD2 3.26Å; D357-Y360 PolarHBondContact O-N 2.91Å; P358-Y360 PolarHBondContact O-N 3.12Å; Y360-R366 VanDerWaalsContact CA-NH2 3.34Å
361S92.1Very high93.8Very high107 Ų107101.7 Ų101.775%0.74852%0.516SS*.THydrogen-bonded Turntrans-88.3-40.8173.856.70000112.8P358P358-S361 PolarHBondContact O-N 3.5Å; P358-S361 PolarHBondContact O-OG 3.28Å
362S95.3Very high94.1Very high45 Ų4597.8 Ų97.832%0.31550%0.495SS..  trans-97.8100.7-174.2-176.30000113.5P358 D364 L365 R366P358-S362 WeakPolarHBondContact O-CB 3.35Å; P358-S362 PolarHBondContact O-N 3.03Å; S362-D364 VanDerWaalsContact C-N 3.29Å; S362-D364 PolarHBondContact O-N 2.75Å; S362-L365 PolarHBondContact O-N 2.69Å; S362-L365 VanDerWaalsContact OG-CB 3.28Å; S362-L365 WeakPolarHBondContact OG-CB 3.07Å; S362-L365 PolarHBondContact OG-N 3.39Å; S362-R366 PolarHBondContact O-N 3.45Å
363R94.4Very high94.5Very high177 Ų17797.3 Ų97.367%0.66849%0.487SS*.Hα-helixtrans-59-38.1174.9-171.6-175.570.1166.5-1112.6R366 R367R363-R366 WeakPolarHBondContact O-CB 3.42Å; R363-R366 PolarHBondContact O-N 2.98Å; R363-R367 PolarHBondContact O-N 2.89Å
364D96.7Very high94.9Very high82 Ų82101 Ų10144%0.43949%0.493SS..Hα-helixtrans-79.8-31.8-175.8-58.5-63.7000111.7S362 R367 K368S362-D364 VanDerWaalsContact C-N 3.29Å; S362-D364 PolarHBondContact O-N 2.75Å; D364-R367 PolarHBondContact O-N 2.76Å; D364-R367 IonicContact OD1-CZ 3.85Å; D364-R367 IonicContact OD1-NH1 3.89Å; D364-R367 PolarHBondContact OD1-NH1 3Å; D364-R367 IonicContact OD1-NH2 3.44Å; D364-R367 PolarHBondContact OD1-NH2 3.49Å; D364-K368 WeakPolarHBondContact O-CB 3.43Å; D364-K368 PolarHBondContact O-N 2.83Å
365L97.2Very high95.4Very high60 Ų6097.1 Ų97.131%0.31447%0.472SS..Hα-helixtrans-61.3-46.5164.518062.8000110.8P358 T359 S362 R367 K368 L369P358-L365 HydrophobicContact CB-CD2 4.01Å; P358-L365 HydrophobicContact CG-CD2 3.97Å; T359-L365 HydrophobicContact CG2-CD2 4.35Å; T359-L365 HydrophobicContact CG2-CG 4.28Å; S362-L365 PolarHBondContact O-N 2.69Å; S362-L365 VanDerWaalsContact OG-CB 3.28Å; S362-L365 WeakPolarHBondContact OG-CB 3.07Å; S362-L365 PolarHBondContact OG-N 3.39Å; L365-R367 VanDerWaalsContact C-N 3.33Å; L365-R367 PolarHBondContact O-N 3.34Å; L365-K368 PolarHBondContact O-N 2.89Å; L365-K368 VanDerWaalsContact O-N 3.12Å; L365-L369 HydrophobicContact CD1-CD1 4.16Å; L365-L369 HydrophobicContact CD1-CG 4.08Å; L365-L369 HydrophobicContact CG-CD1 4.2Å; L365-L369 HydrophobicContact CG-CG 4.42Å; L365-L369 PolarHBondContact O-N 3.2Å
366R96.6Very high95.8Very high99 Ų9992.3 Ų92.337%0.37446%0.455SS..Hα-helixtrans-57.8-43175.9-171.9177.7-68.1-86.23.2112.2T359 Y360 S362 R363 T370T359-R366 PolarHBondContact O-NE 3.35Å; T359-R366 PolarHBondContact O-NH2 2.66Å; T359-R366 PolarHBondContact OG1-NH1 2.88Å; T359-R366 PolarHBondContact OG1-NH2 3.34Å; Y360-R366 VanDerWaalsContact CA-NH2 3.34Å; S362-R366 PolarHBondContact O-N 3.45Å; R363-R366 WeakPolarHBondContact O-CB 3.42Å; R363-R366 PolarHBondContact O-N 2.98Å; R366-T370 WeakPolarHBondContact O-CB 3.21Å; R366-T370 PolarHBondContact O-N 2.84Å; R366-T370 PolarHBondContact O-OG1 3.01Å
367R97.3Very high96.2Very high138 Ų13890.2 Ų90.252%0.52144%0.444SS..Hα-helixtrans-61.8-47.4173.5-163.8-167.7-58.21058.1110.9R363 D364 L365 L369 T370 E371R363-R367 PolarHBondContact O-N 2.89Å; D364-R367 PolarHBondContact O-N 2.76Å; D364-R367 IonicContact OD1-CZ 3.85Å; D364-R367 IonicContact OD1-NH1 3.89Å; D364-R367 PolarHBondContact OD1-NH1 3Å; D364-R367 IonicContact OD1-NH2 3.44Å; D364-R367 PolarHBondContact OD1-NH2 3.49Å; L365-R367 VanDerWaalsContact C-N 3.33Å; L365-R367 PolarHBondContact O-N 3.34Å; R367-L369 PolarHBondContact O-N 3.18Å; R367-T370 PolarHBondContact O-N 3.33Å; R367-E371 PolarHBondContact O-N 2.88Å
368K97.9Very high96.4Very high118 Ų11890.7 Ų90.751%0.51345%0.446SS..Hα-helixtrans-63-42.1-179-177.654.5174.3157.20112.4D364 L365 E371 N372D364-K368 WeakPolarHBondContact O-CB 3.43Å; D364-K368 PolarHBondContact O-N 2.83Å; L365-K368 PolarHBondContact O-N 2.89Å; L365-K368 VanDerWaalsContact O-N 3.12Å; K368-E371 PolarHBondContact O-N 3.19Å; K368-N372 VanDerWaalsContact CE-OD1 3.25Å; K368-N372 WeakPolarHBondContact CE-OD1 3.48Å; K368-N372 PolarHBondContact NZ-OD1 3.22Å; K368-N372 WeakPolarHBondContact O-CB 3.32Å; K368-N372 PolarHBondContact O-N 3.11Å; K368-N372 PolarHBondContact O-OD1 3.45Å
369L97.4Very high96.5Very high82 Ų8290.6 Ų90.643%0.42944%0.442SS..Hα-helixtrans-71-32.1176.6-67.1-175.7000112.8T359 L365 R367 N372 K373T359-L369 HydrophobicContact CG2-CD1 3.7Å; L365-L369 HydrophobicContact CD1-CD1 4.16Å; L365-L369 HydrophobicContact CD1-CG 4.08Å; L365-L369 HydrophobicContact CG-CD1 4.2Å; L365-L369 HydrophobicContact CG-CG 4.42Å; L365-L369 PolarHBondContact O-N 3.2Å; R367-L369 PolarHBondContact O-N 3.18Å; L369-N372 PolarHBondContact O-N 3.44Å; L369-K373 WeakPolarHBondContact O-CB 3.47Å; L369-K373 PolarHBondContact O-N 3.23Å
370T96.9Very high96.8Very high95 Ų9594.6 Ų94.658%0.58346%0.462SS*.Hα-helixtrans-63.5-43172.2-56.90000111.1R366 R367 R374R366-T370 WeakPolarHBondContact O-CB 3.21Å; R366-T370 PolarHBondContact O-N 2.84Å; R366-T370 PolarHBondContact O-OG1 3.01Å; R367-T370 PolarHBondContact O-N 3.33Å; T370-R374 PolarHBondContact O-N 3.5Å; T370-R374 VanDerWaalsContact O-N 3.09Å
371E97.7Very high97Very high71 Ų7191.9 Ų91.933%0.33246%0.458SS..Hα-helixtrans-69.8-42.6175175.556.2-166.200112.2R367 K368 K373 R374 I375R367-E371 PolarHBondContact O-N 2.88Å; K368-E371 PolarHBondContact O-N 3.19Å; E371-K373 VanDerWaalsContact C-N 3.27Å; E371-K373 PolarHBondContact O-N 3.17Å; E371-R374 WeakPolarHBondContact O-CB 3.19Å; E371-R374 PolarHBondContact O-N 3.41Å; E371-R374 VanDerWaalsContact O-N 3.12Å; E371-R374 IonicContact OE1-CZ 3.57Å; E371-R374 IonicContact OE1-NE 3.21Å; E371-R374 PolarHBondContact OE1-NE 3.42Å; E371-R374 IonicContact OE1-NH2 2.65Å; E371-R374 PolarHBondContact OE1-NH2 2.95Å; E371-R374 IonicContact OE2-CZ 3.89Å; E371-R374 IonicContact OE2-NE 3.72Å; E371-R374 PolarHBondContact OE2-NE 3.41Å; E371-R374 IonicContact OE2-NH2 2.74Å; E371-I375 HydrophobicContact CG-CD1 4.01Å; E371-I375 WeakPolarHBondContact O-CG1 3.42Å; E371-I375 PolarHBondContact O-N 3.08Å; E371-I375 WeakPolarHBondContact OE1-CD1 3.33Å
372N97.9Very high97.3Very high65 Ų6593.1 Ų93.135%0.34845%0.45SS..Hα-helixtrans-59.2-39.7175.2-70.9-0.5000111.2K368 L369 I375 G376K368-N372 VanDerWaalsContact CE-OD1 3.25Å; K368-N372 WeakPolarHBondContact CE-OD1 3.48Å; K368-N372 PolarHBondContact NZ-OD1 3.22Å; K368-N372 WeakPolarHBondContact O-CB 3.32Å; K368-N372 PolarHBondContact O-N 3.11Å; K368-N372 PolarHBondContact O-OD1 3.45Å; L369-N372 PolarHBondContact O-N 3.44Å; N372-I375 PolarHBondContact O-N 2.86Å; N372-G376 PolarHBondContact O-N 2.83Å
373K97.8Very high97.4Very high138 Ų13894.7 Ų94.760%0.646%0.457SS*.Hα-helixtrans-60.8-49.5172.6179.6178177.5-179.60111.2L369 E371 I375 G376 D377L369-K373 WeakPolarHBondContact O-CB 3.47Å; L369-K373 PolarHBondContact O-N 3.23Å; E371-K373 VanDerWaalsContact C-N 3.27Å; E371-K373 PolarHBondContact O-N 3.17Å; K373-I375 VanDerWaalsContact C-N 3.25Å; K373-I375 PolarHBondContact O-N 3.37Å; K373-G376 PolarHBondContact O-N 3.23Å; K373-G376 VanDerWaalsContact O-N 3.07Å; K373-D377 WeakPolarHBondContact CE-OD2 3.37Å; K373-D377 PolarHBondContact O-N 3.08Å
374R97.9Very high97.5Very high132 Ų13291.8 Ų91.850%0.49845%0.45SS..Hα-helixtrans-56.6-39.6176.9-167.6-164.56981.52.7111.7T370 E371 N378T370-R374 PolarHBondContact O-N 3.5Å; T370-R374 VanDerWaalsContact O-N 3.09Å; E371-R374 WeakPolarHBondContact O-CB 3.19Å; E371-R374 PolarHBondContact O-N 3.41Å; E371-R374 VanDerWaalsContact O-N 3.12Å; E371-R374 IonicContact OE1-CZ 3.57Å; E371-R374 IonicContact OE1-NE 3.21Å; E371-R374 PolarHBondContact OE1-NE 3.42Å; E371-R374 IonicContact OE1-NH2 2.65Å; E371-R374 PolarHBondContact OE1-NH2 2.95Å; E371-R374 IonicContact OE2-CZ 3.89Å; E371-R374 IonicContact OE2-NE 3.72Å; E371-R374 PolarHBondContact OE2-NE 3.41Å; E371-R374 IonicContact OE2-NH2 2.74Å; R374-N378 WeakPolarHBondContact O-CB 3.41Å; R374-N378 PolarHBondContact O-N 2.96Å; R374-N378 PolarHBondContact O-ND2 2.96Å
375I98Very high97.5Very high65 Ų6593.9 Ų93.933%0.33346%0.455SS..Hα-helixtrans-67.2-45.2175.2-67.2166.4000110.9E371 N372 K373 N378 N379E371-I375 HydrophobicContact CG-CD1 4.01Å; E371-I375 WeakPolarHBondContact O-CG1 3.42Å; E371-I375 PolarHBondContact O-N 3.08Å; E371-I375 WeakPolarHBondContact OE1-CD1 3.33Å; N372-I375 PolarHBondContact O-N 2.86Å; K373-I375 VanDerWaalsContact C-N 3.25Å; K373-I375 PolarHBondContact O-N 3.37Å; I375-N378 PolarHBondContact O-N 3.36Å; I375-N379 WeakPolarHBondContact O-CB 3.32Å; I375-N379 VanDerWaalsContact O-CG 3.3Å; I375-N379 PolarHBondContact O-N 3.2Å
376G97.8Very high97.6Very high37 Ų3796.3 Ų96.338%0.38147%0.465SS..Hα-helixtrans-59.4-51.7177.500000112.9N372 K373 N378 N379 L380N372-G376 PolarHBondContact O-N 2.83Å; K373-G376 PolarHBondContact O-N 3.23Å; K373-G376 VanDerWaalsContact O-N 3.07Å; G376-N378 VanDerWaalsContact C-N 3.29Å; G376-N378 PolarHBondContact O-N 3Å; G376-N379 PolarHBondContact O-N 2.92Å; G376-N379 VanDerWaalsContact O-N 3.11Å; G376-L380 WeakPolarHBondContact O-CB 3.37Å; G376-L380 PolarHBondContact O-N 2.94Å
377D97.9Very high97.6Very high80 Ų8098.7 Ų98.743%0.42848%0.475SS..Hα-helixtrans-56.9-42.5176.8-66.4-24.2000110.9K373 N381K373-D377 WeakPolarHBondContact CE-OD2 3.37Å; K373-D377 PolarHBondContact O-N 3.08Å; D377-N381 WeakPolarHBondContact O-CB 3.36Å; D377-N381 PolarHBondContact O-N 3.48Å; D377-N381 VanDerWaalsContact O-N 3.12Å; D377-N381 PolarHBondContact O-ND2 3.38Å
378N97.6Very high97.5Very high72 Ų7296.2 Ų96.239%0.38547%0.471SS..Hα-helixtrans-68-38.7176.1-83.6-68.8000113R374 I375 G376 N381 K382R374-N378 WeakPolarHBondContact O-CB 3.41Å; R374-N378 PolarHBondContact O-N 2.96Å; R374-N378 PolarHBondContact O-ND2 2.96Å; I375-N378 PolarHBondContact O-N 3.36Å; G376-N378 VanDerWaalsContact C-N 3.29Å; G376-N378 PolarHBondContact O-N 3Å; N378-N381 PolarHBondContact O-N 3.49Å; N378-K382 WeakPolarHBondContact O-CG 3.47Å; N378-K382 PolarHBondContact O-N 3.23Å
379N98Very high97.4Very high72 Ų7293.9 Ų93.939%0.38546%0.464SS..Hα-helixtrans-71.1-39.4179.6-73.9-11.9000111.9I375 G376 N381 K382 V383I375-N379 WeakPolarHBondContact O-CB 3.32Å; I375-N379 VanDerWaalsContact O-CG 3.3Å; I375-N379 PolarHBondContact O-N 3.2Å; G376-N379 PolarHBondContact O-N 2.92Å; G376-N379 VanDerWaalsContact O-N 3.11Å; N379-N381 PolarHBondContact O-N 2.91Å; N379-K382 WeakPolarHBondContact O-CB 3.28Å; N379-K382 PolarHBondContact O-N 3.48Å; N379-K382 PolarHBondContact OD1-NZ 3.38Å; N379-V383 WeakPolarHBondContact O-CG2 3.4Å; N379-V383 PolarHBondContact O-N 3.22Å; N379-V383 VanDerWaalsContact O-N 3.08Å
380L97.7Very high97.3Very high95 Ų9593.5 Ų93.550%0.49746%0.462SS..Hα-helixtrans-61.4-43.8173-177.461.5000111.4G376 K382 V383 F384G376-L380 WeakPolarHBondContact O-CB 3.37Å; G376-L380 PolarHBondContact O-N 2.94Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-K382 PolarHBondContact O-N 3.28Å; L380-V383 PolarHBondContact O-N 3.41Å; L380-F384 HydrophobicContact CD1-CD2 4.42Å; L380-F384 HydrophobicContact CD1-CE1 4.47Å; L380-F384 HydrophobicContact CD1-CE2 3.8Å; L380-F384 HydrophobicContact CD1-CZ 3.82Å; L380-F384 HydrophobicContact CD2-CE2 4Å; L380-F384 HydrophobicContact CD2-CZ 4.46Å; L380-F384 HydrophobicContact CG-CD2 4.09Å; L380-F384 HydrophobicContact CG-CE2 3.55Å; L380-F384 HydrophobicContact CG-CZ 4.09Å; L380-F384 WeakPolarHBondContact O-CD2 3.46Å; L380-F384 PolarHBondContact O-N 2.95Å
381N97.3Very high97.2Very high100 Ų10094.4 Ų94.454%0.53546%0.46SS..Hα-helixtrans-64.5-33.9175.2-76.4-46.3000113.3D377 N378 N379 K385D377-N381 WeakPolarHBondContact O-CB 3.36Å; D377-N381 PolarHBondContact O-N 3.48Å; D377-N381 VanDerWaalsContact O-N 3.12Å; D377-N381 PolarHBondContact O-ND2 3.38Å; N378-N381 PolarHBondContact O-N 3.49Å; N379-N381 PolarHBondContact O-N 2.91Å; N381-K385 WeakPolarHBondContact O-CB 3.43Å; N381-K385 PolarHBondContact O-N 3.34Å
382K97.5Very high97Very high133 Ų13395.9 Ų95.958%0.57847%0.466SS*.Hα-helixtrans-63.1-42.6171.2-71.2168-163.7164.70111.8N378 N379 L380 K385 H386N378-K382 WeakPolarHBondContact O-CG 3.47Å; N378-K382 PolarHBondContact O-N 3.23Å; N379-K382 WeakPolarHBondContact O-CB 3.28Å; N379-K382 PolarHBondContact O-N 3.48Å; N379-K382 PolarHBondContact OD1-NZ 3.38Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-K382 PolarHBondContact O-N 3.28Å; K382-K385 PolarHBondContact O-N 3.21Å; K382-H386 WeakPolarHBondContact O-CB 3.39Å; K382-H386 PolarHBondContact O-N 3.47Å
383V97.9Very high96.8Very high77 Ų7796.7 Ų96.747%0.46747%0.474SS..Hα-helixtrans-63.6-49.3178.2173.80000110.4N379 L380 K385 H386 Y387N379-V383 WeakPolarHBondContact O-CG2 3.4Å; N379-V383 PolarHBondContact O-N 3.22Å; N379-V383 VanDerWaalsContact O-N 3.08Å; L380-V383 PolarHBondContact O-N 3.41Å; V383-K385 PolarHBondContact O-N 3.12Å; V383-H386 PolarHBondContact O-N 3.3Å; V383-Y387 HydrophobicContact CG1-CD2 4.04Å; V383-Y387 HydrophobicContact CG1-CE2 4.02Å; V383-Y387 WeakPolarHBondContact O-CD2 3.45Å; V383-Y387 PolarHBondContact O-N 3.02Å
384F97.1Very high96.4Very high116 Ų11694.1 Ų94.151%0.50947%0.466SS..Hα-helixtrans-57.6-46.8175.3-68.8-43.5000112.1L380 H386 Y387 I388L380-F384 HydrophobicContact CD1-CD2 4.42Å; L380-F384 HydrophobicContact CD1-CE1 4.47Å; L380-F384 HydrophobicContact CD1-CE2 3.8Å; L380-F384 HydrophobicContact CD1-CZ 3.82Å; L380-F384 HydrophobicContact CD2-CE2 4Å; L380-F384 HydrophobicContact CD2-CZ 4.46Å; L380-F384 HydrophobicContact CG-CD2 4.09Å; L380-F384 HydrophobicContact CG-CE2 3.55Å; L380-F384 HydrophobicContact CG-CZ 4.09Å; L380-F384 WeakPolarHBondContact O-CD2 3.46Å; L380-F384 PolarHBondContact O-N 2.95Å; F384-H386 PolarHBondContact O-N 3.05Å; F384-Y387 PolarHBondContact O-N 3.34Å; F384-I388 WeakPolarHBondContact O-CD1 3.38Å; F384-I388 VanDerWaalsContact O-CG1 3.29Å; F384-I388 WeakPolarHBondContact O-CG1 3.25Å; F384-I388 PolarHBondContact O-N 3.02Å; F384-I388 VanDerWaalsContact O-N 3.08Å
385K97.1Very high95.9Very high126 Ų12691.7 Ų91.755%0.54846%0.46SS..Hα-helixtrans-60.9-43.3177.1178.1168.8173.9172.60112.1N381 K382 V383 Y387 I388 D389N381-K385 WeakPolarHBondContact O-CB 3.43Å; N381-K385 PolarHBondContact O-N 3.34Å; K382-K385 PolarHBondContact O-N 3.21Å; V383-K385 PolarHBondContact O-N 3.12Å; K385-Y387 VanDerWaalsContact C-N 3.33Å; K385-Y387 PolarHBondContact O-N 3.02Å; K385-I388 PolarHBondContact O-N 2.91Å; K385-I388 VanDerWaalsContact O-N 3.17Å; K385-D389 VanDerWaalsContact CE-CG 3.49Å; K385-D389 WeakPolarHBondContact CE-OD1 3.38Å; K385-D389 WeakPolarHBondContact CE-OD2 3.31Å; K385-D389 WeakPolarHBondContact CG-OD2 3.47Å; K385-D389 IonicContact NZ-OD2 2.7Å; K385-D389 WeakPolarHBondContact O-CB 3.45Å; K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.23Å
386H97.4Very high95.2Very high112 Ų11291.4 Ų91.452%0.51946%0.464SS..Hα-helixtrans-57.8-44.1-179.7175.855.8000112.3K382 V383 F384 L390K382-H386 WeakPolarHBondContact O-CB 3.39Å; K382-H386 PolarHBondContact O-N 3.47Å; V383-H386 PolarHBondContact O-N 3.3Å; F384-H386 PolarHBondContact O-N 3.05Å; H386-L390 VanDerWaalsContact O-CB 3.26Å; H386-L390 WeakPolarHBondContact O-CB 3.49Å; H386-L390 PolarHBondContact O-N 2.74Å
387Y97.1Very high94.4Very high149 Ų14993.2 Ų93.258%0.58447%0.467SS*.Hα-helixtrans-72.6-31177.2-76.5-76.1000113.4V383 F384 K385 L390 Q391V383-Y387 HydrophobicContact CG1-CD2 4.04Å; V383-Y387 HydrophobicContact CG1-CE2 4.02Å; V383-Y387 WeakPolarHBondContact O-CD2 3.45Å; V383-Y387 PolarHBondContact O-N 3.02Å; F384-Y387 PolarHBondContact O-N 3.34Å; K385-Y387 VanDerWaalsContact C-N 3.33Å; K385-Y387 PolarHBondContact O-N 3.02Å; Y387-L390 HydrophobicContact CD1-CD2 4.2Å; Y387-L390 HydrophobicContact CE1-CD2 4.43Å; Y387-Q391 WeakPolarHBondContact O-CB 3.43Å; Y387-Q391 PolarHBondContact O-N 3.05Å
388I96.2Very high93.2Very high85 Ų8594.5 Ų94.544%0.43647%0.471SS..Hα-helixtrans-66.6-48.6171.9-69.1163.8000110.8F384 K385 L390 Q391 H392F384-I388 WeakPolarHBondContact O-CD1 3.38Å; F384-I388 VanDerWaalsContact O-CG1 3.29Å; F384-I388 WeakPolarHBondContact O-CG1 3.25Å; F384-I388 PolarHBondContact O-N 3.02Å; F384-I388 VanDerWaalsContact O-N 3.08Å; K385-I388 PolarHBondContact O-N 2.91Å; K385-I388 VanDerWaalsContact O-N 3.17Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 2.88Å; I388-Q391 PolarHBondContact O-N 3.38Å; I388-H392 PolarHBondContact O-CD2 2.89Å; I388-H392 PolarHBondContact O-N 2.98Å
389D95.7Very high91.7Very high70 Ų7096.9 Ų96.937%0.37448%0.48SS..Hα-helixtrans-61.4-38.8177.2-68-10.8000110.9K385 T393K385-D389 VanDerWaalsContact CE-CG 3.49Å; K385-D389 WeakPolarHBondContact CE-OD1 3.38Å; K385-D389 WeakPolarHBondContact CE-OD2 3.31Å; K385-D389 WeakPolarHBondContact CG-OD2 3.47Å; K385-D389 IonicContact NZ-OD2 2.7Å; K385-D389 WeakPolarHBondContact O-CB 3.45Å; K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.23Å; D389-T393 WeakPolarHBondContact O-CB 3.47Å; D389-T393 PolarHBondContact O-N 2.65Å; D389-T393 PolarHBondContact O-OG1 3.21Å
390L95.7Very high90.3Very high74 Ų7499.7 Ų99.739%0.38749%0.493SS..Hα-helixtrans-64.5-46174.1-179.662.9000111.9H386 Y387 I388 H392 T393 I394H386-L390 VanDerWaalsContact O-CB 3.26Å; H386-L390 WeakPolarHBondContact O-CB 3.49Å; H386-L390 PolarHBondContact O-N 2.74Å; Y387-L390 HydrophobicContact CD1-CD2 4.2Å; Y387-L390 HydrophobicContact CE1-CD2 4.43Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 2.88Å; L390-H392 PolarHBondContact O-N 3.44Å; L390-T393 WeakPolarHBondContact O-CB 3.42Å; L390-T393 PolarHBondContact O-N 3.19Å; L390-I394 HydrophobicContact CD1-CD1 4.19Å; L390-I394 HydrophobicContact CD1-CG1 4.48Å; L390-I394 HydrophobicContact CG-CD1 4.05Å; L390-I394 WeakPolarHBondContact O-CG1 3.15Å; L390-I394 PolarHBondContact O-N 3.03Å
391Q94.4Very high88.7Confident113 Ų113101.2 Ų101.253%0.52850%0.501SS..Hα-helixtrans-60.2-45.4177-179.4177.8-11.200111.4Y387 I388 T393 I394 Q395Y387-Q391 WeakPolarHBondContact O-CB 3.43Å; Y387-Q391 PolarHBondContact O-N 3.05Å; I388-Q391 PolarHBondContact O-N 3.38Å; Q391-T393 VanDerWaalsContact C-N 3.35Å; Q391-T393 PolarHBondContact O-N 2.98Å; Q391-I394 PolarHBondContact O-N 3.24Å; Q391-Q395 VanDerWaalsContact O-CG 3.3Å; Q391-Q395 WeakPolarHBondContact O-CG 3.11Å; Q391-Q395 PolarHBondContact O-N 3.39Å
392H92.7Very high86.9Confident102 Ų102103.5 Ų103.547%0.47251%0.508SS..Hα-helixtrans-62.6-40.7175-71.8-41.3000112.3I388 L390 I394 Q395 S396I388-H392 PolarHBondContact O-CD2 2.89Å; I388-H392 PolarHBondContact O-N 2.98Å; L390-H392 PolarHBondContact O-N 3.44Å; H392-I394 PolarHBondContact O-N 3.31Å; H392-Q395 PolarHBondContact ND1-OE1 3.47Å; H392-Q395 PolarHBondContact O-N 2.76Å; H392-S396 PolarHBondContact O-N 2.99Å; H392-S396 PolarHBondContact O-OG 3.42Å
393T92.9Very high84.7Confident83 Ų83103.6 Ų103.651%0.50952%0.515SS..Hα-helixtrans-60.9-44.8176.7-56.70000111.4D389 L390 Q391 S396 V397D389-T393 WeakPolarHBondContact O-CB 3.47Å; D389-T393 PolarHBondContact O-N 2.65Å; D389-T393 PolarHBondContact O-OG1 3.21Å; L390-T393 WeakPolarHBondContact O-CB 3.42Å; L390-T393 PolarHBondContact O-N 3.19Å; Q391-T393 VanDerWaalsContact C-N 3.35Å; Q391-T393 PolarHBondContact O-N 2.98Å; T393-S396 PolarHBondContact O-N 3.28Å; T393-V397 WeakPolarHBondContact O-CG2 2.97Å; T393-V397 PolarHBondContact O-N 2.92Å
394I90.5Very high82.1Confident84 Ų84104.7 Ų104.743%0.43152%0.524SS..Hα-helixtrans-62.7-44.5176.7-68165.4000110.7L390 Q391 H392 S396 V397 Q398L390-I394 HydrophobicContact CD1-CD1 4.19Å; L390-I394 HydrophobicContact CD1-CG1 4.48Å; L390-I394 HydrophobicContact CG-CD1 4.05Å; L390-I394 WeakPolarHBondContact O-CG1 3.15Å; L390-I394 PolarHBondContact O-N 3.03Å; Q391-I394 PolarHBondContact O-N 3.24Å; H392-I394 PolarHBondContact O-N 3.31Å; I394-S396 PolarHBondContact O-N 2.88Å; I394-V397 PolarHBondContact O-N 2.82Å; I394-Q398 HydrophobicContact CG2-CG 4.5Å; I394-Q398 WeakPolarHBondContact O-CG 3.28Å; I394-Q398 PolarHBondContact O-N 3.11Å
395Q87.6Confident79.5Confident80 Ų80107.8 Ų107.837%0.37454%0.54SS..Hα-helixtrans-61.2-43177.2-73171.9-23.900112.2Q391 H392 Q398 Q399Q391-Q395 VanDerWaalsContact O-CG 3.3Å; Q391-Q395 WeakPolarHBondContact O-CG 3.11Å; Q391-Q395 PolarHBondContact O-N 3.39Å; H392-Q395 PolarHBondContact ND1-OE1 3.47Å; H392-Q395 PolarHBondContact O-N 2.76Å; Q395-Q398 PolarHBondContact O-N 2.72Å; Q395-Q399 WeakPolarHBondContact O-CG 3.4Å; Q395-Q399 PolarHBondContact O-N 2.77Å
396S82.8Confident77Confident60 Ų60110.9 Ų110.942%0.4256%0.556SS.*Hα-helixtrans-65.8-38.9175.8-63.50000112.8H392 T393 I394 Q399 I400H392-S396 PolarHBondContact O-N 2.99Å; H392-S396 PolarHBondContact O-OG 3.42Å; T393-S396 PolarHBondContact O-N 3.28Å; I394-S396 PolarHBondContact O-N 2.88Å; S396-Q399 PolarHBondContact O-N 3.33Å; S396-I400 WeakPolarHBondContact O-CD1 3.37Å; S396-I400 VanDerWaalsContact O-CG1 3.26Å; S396-I400 WeakPolarHBondContact O-CG1 2.98Å; S396-I400 PolarHBondContact O-N 2.98Å
397V80.7Confident74.2Confident74 Ų74113.2 Ų113.245%0.44857%0.572SS.*Hα-helixtrans-65.9-38.7174.6170.80000111.3T393 I394 I400 I401T393-V397 WeakPolarHBondContact O-CG2 2.97Å; T393-V397 PolarHBondContact O-N 2.92Å; I394-V397 PolarHBondContact O-N 2.82Å; V397-I400 PolarHBondContact O-N 2.93Å; V397-I401 HydrophobicContact CG1-CD1 3.79Å; V397-I401 VanDerWaalsContact O-CG1 3.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.37Å; V397-I401 PolarHBondContact O-N 3.2Å
398Q73.8Confident71.4Confident107 Ų107114 Ų11450%0.559%0.586SS.*Hα-helixtrans-62.7-41.7174.7-74.8171.8-20.400112.1I394 Q395 I401 Q402I394-Q398 HydrophobicContact CG2-CG 4.5Å; I394-Q398 WeakPolarHBondContact O-CG 3.28Å; I394-Q398 PolarHBondContact O-N 3.11Å; Q395-Q398 PolarHBondContact O-N 2.72Å; Q398-I401 PolarHBondContact O-N 2.9Å; Q398-Q402 WeakPolarHBondContact O-CG 3.35Å; Q398-Q402 PolarHBondContact O-N 3.41Å
399Q66.3Low69Low122 Ų122118.2 Ų118.257%0.5760%0.601SS**Hα-helixtrans-62.3-45.9173.6-72.8175.9-27.400112Q395 S396 I401 Q402 D403Q395-Q399 WeakPolarHBondContact O-CG 3.4Å; Q395-Q399 PolarHBondContact O-N 2.77Å; S396-Q399 PolarHBondContact O-N 3.33Å; Q399-I401 PolarHBondContact O-N 2.87Å; Q399-Q402 PolarHBondContact O-N 3.24Å; Q399-D403 PolarHBondContact O-N 3.42Å; Q399-D403 VanDerWaalsContact O-N 3.12Å
400I67.9Low66.4Low131 Ų131121.3 Ų121.367%0.67262%0.623SS**Hα-helixtrans-61.2-28.7177.6-67.9162.8000112.4S396 V397S396-I400 WeakPolarHBondContact O-CD1 3.37Å; S396-I400 VanDerWaalsContact O-CG1 3.26Å; S396-I400 WeakPolarHBondContact O-CG1 2.98Å; S396-I400 PolarHBondContact O-N 2.98Å; V397-I400 PolarHBondContact O-N 2.93Å
401I64.7Low64Low128 Ų128124.7 Ų124.766%0.65664%0.636SS**Hα-helixtrans-82.6-25.1176.1-67.9167.5000112V397 Q398 Q399V397-I401 HydrophobicContact CG1-CD1 3.79Å; V397-I401 VanDerWaalsContact O-CG1 3.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.37Å; V397-I401 PolarHBondContact O-N 3.2Å; Q398-I401 PolarHBondContact O-N 2.9Å; Q399-I401 PolarHBondContact O-N 2.87Å
402Q58.4Low61.6Low148 Ų148127.6 Ų127.669%0.69265%0.65SS**Hα-helixtrans-86.7-15.4179.6-74.3177.60.400114.4Q398 Q399 P404Q398-Q402 WeakPolarHBondContact O-CG 3.35Å; Q398-Q402 PolarHBondContact O-N 3.41Å; Q399-Q402 PolarHBondContact O-N 3.24Å; Q402-P404 WeakPolarHBondContact O-CD 3.41Å
403D50.9Low59.3Low135 Ų135130.4 Ų130.472%0.72267%0.668SS**  trans-106.862.5177.2-74.6-37.5000114.4Q399Q399-D403 PolarHBondContact O-N 3.42Å; Q399-D403 VanDerWaalsContact O-N 3.12Å
404P43.6Very low56.8Low99 Ų99131.4 Ų131.464%0.64367%0.674SS**  trans-73.7142.8160.233.3-30.6000110.4Q402Q402-P404 WeakPolarHBondContact O-CD 3.41Å
405E43.9Very low54.5Low182 Ų182133.3 Ų133.385%0.8569%0.685SS**SBendtrans65.380.9172.3-53.9-170.3-175.300118.3
406H43.9Very low52.4Low190 Ų190139 Ų13988%0.8870%0.703SS**  trans-163.369.3134.2-112.966.5000114.5
407N39.1Very low50.6Low162 Ų162144.4 Ų144.487%0.86672%0.722SS**  trans-16173.2161.3-111-39.4000113.1
408N37.8Very low48.9Very low165 Ų165144.7 Ų144.788%0.88273%0.727SS**  trans-147.475.6170.1-96.7-45.8000111.1
409K45.9Very low47.4Very low173 Ų173145.3 Ų145.375%0.75273%0.734SS**  trans-140.783164.1-133.9-173.8-175-1190111.3E411K409-E411 IonicContact NZ-OE1 2.73Å; K409-E411 PolarHBondContact NZ-OE1 3.39Å
410V40.8Very low46.4Very low135 Ų135146.9 Ų146.982%0.81874%0.743SS**  trans-82.4119.5167.7179.90000107.9
411E46.2Very low45.3Very low145 Ų145145.8 Ų145.868%0.67874%0.743SS**  trans-116.2140.4164.5-78.7-177.6-153.400110.2K409K409-E411 IonicContact NZ-OE1 2.73Å; K409-E411 PolarHBondContact NZ-OE1 3.39Å
412H42.3Very low44.2Very low175 Ų175147 Ų14781%0.8175%0.75SS**  trans-62.6140.4-170.9-83.2-103.2000113.7
413N44.9Very low43.4Very low161 Ų161146 Ų14686%0.86176%0.76SS**  -146.9153.4113.1-148.9-19.4000111.3
414V39.8Very low43Very low103 Ų103144.7 Ų144.762%0.62476%0.761SS**  trans-135.7120.6-169.6-179.50000110.2
415N42.9Very low43.1Very low125 Ų125149.8 Ų149.867%0.66877%0.773SS**  trans-163.5129.4151.2-121.2-20.6000114.7
416R43.2Very low43Very low198 Ų198147.7 Ų147.775%0.74777%0.768SS**  trans59.7118.9149.4-67.2156.7-154.1-150.2-2.5119
417Q46.5Very low42.9Very low174 Ų174145.3 Ų145.381%0.81377%0.767SS**  cis82.312249.6-175.2-178.38.200111.4
418S44.4Very low43Very low81 Ų81142.9 Ų142.957%0.56676%0.762SS**  cis-164.2-179.2-3.440.50000113.1
419D42.1Very low43.4Very low119 Ų119141.2 Ų141.264%0.63676%0.758SS**  trans94.4113.6148.7-57.7-51.6000121.7
420M45.8Very low43.3Very low155 Ų155138.5 Ų138.576%0.76476%0.758SS**  55.5137.1127.5-50.1-48.2171.700120.6
421T43.6Very low43Very low109 Ų109139.5 Ų139.567%0.66976%0.758SS**  cis-159.3149.52.61.10000112.2
422N42.9Very low42.6Very low152 Ų152140.5 Ų140.581%0.81377%0.768SS**  trans23.2122.5147.5-56-10000121.1
423S41.7Very low42.4Very low127 Ų127135.3 Ų135.389%0.88876%0.755SS**  -165.1131.5107.6-153.30000111.8
424S41Very low41.7Very low108 Ų108133.7 Ų133.776%0.75576%0.755SS**  trans-96.3150.5-178.9-52.80000112.3
425K46.5Very low41.3Very low206 Ų206138.7 Ų138.790%0.89677%0.769SS**  trans-155.5137.6152-117.1160.7-171.6173.20112.1
426D41.6Very low40.8Very low139 Ų139136.4 Ų136.474%0.74377%0.767SS**  trans-84.4149.2-154.7-48-93.3000114.5
427V42.8Very low40.1Very low140 Ų140133.2 Ų133.285%0.84877%0.77SS**  trans-131.6104.7157.3179.50000107.5
428S40.5Very low39.5Very low111 Ų111132.9 Ų132.978%0.77677%0.773SS**PPolyproline II helixtrans-80.7122.7-177-510000111.7
429V45.9Very low38.8Very low129 Ų129134.7 Ų134.778%0.78278%0.781SS**PPolyproline II helixtrans-82.7134.7167.2-179.90000108.8N431V429-N431 PolarHBondContact O-N 2.72Å
430P44.3Very low38.6Very low116 Ų116137.5 Ų137.575%0.75379%0.791SS**PPolyproline II helixtrans-65.6117.5-179.3-21.933.9000112.3L432P430-L432 PolarHBondContact O-N 2.81Å
431N34.8Very low37.9Very low156 Ų156137 Ų13783%0.83479%0.786SS**  trans-83.791.7177-158.87.4000109V429 A433V429-N431 PolarHBondContact O-N 2.72Å; N431-A433 VanDerWaalsContact C-N 3.25Å; N431-A433 PolarHBondContact O-N 2.71Å
432L38.3Very low37.5Very low167 Ų167137.7 Ų137.787%0.87479%0.794SS**  trans-80.671-175-158.376.5000111.4P430P430-L432 PolarHBondContact O-N 2.81Å
433A36.5Very low37.3Very low66 Ų66137.6 Ų137.655%0.54579%0.789SS.*  trans-63.7138.4176.200000111.7N431 F435N431-A433 VanDerWaalsContact C-N 3.25Å; N431-A433 PolarHBondContact O-N 2.71Å; A433-F435 PolarHBondContact O-N 3Å
434C30.1Very low37Very low126 Ų126138.8 Ų138.885%0.85179%0.785SS**  trans-63.8122.8179.6-56.90000111.7
435F32.4Very low36.9Very low209 Ų209140.9 Ų140.992%0.91779%0.788SS**  trans-99.676.4164.4-83.9-82.5000110.6A433A433-F435 PolarHBondContact O-N 3Å
436A31.6Very low36.6Very low77 Ų77139.3 Ų139.364%0.63678%0.781SS**  trans-92130.1156.400000108.5
437T28.5Very low36.3Very low131 Ų131139.9 Ų139.980%0.80478%0.784SS**  trans45.3116.6159.956.60000119.1
438N34.8Very low36.1Very low166 Ų166138.1 Ų138.189%0.88878%0.775SS**  trans-148.1127.2140.6-133.8-16000111
439T29.9Very low35.6Very low119 Ų119139.4 Ų139.473%0.7377%0.773SS**  trans-134106.2-170.9-570000110.5
440Q36.9Very low35Very low179 Ų179138.8 Ų138.884%0.83678%0.775SS**  trans179148.8168.5-99.9147.254.600107.1
441Q32.5Very low34.5Very low143 Ų143138.4 Ų138.467%0.66877%0.772SS**  cis-162.8129.7-5.6168.9179.3-19.500108.7E443Q441-E443 PolarHBondContact NE2-OE1 3.29Å
442C34Very low34.1Very low125 Ų125137.8 Ų137.885%0.84577%0.774SS**  trans-160.389.4162-90.20000106.8
443E38.8Very low33.9Very low150 Ų150135.8 Ų135.870%0.70177%0.769SS**  82.9107.290.6-60.9-90.5125.200112.3Q441Q441-E443 PolarHBondContact NE2-OE1 3.29Å
444D34.9Very low33.9Very low151 Ų151136.9 Ų136.981%0.80777%0.773SS**  trans-0.8128.1175.3-62.7-46.6000123
445D40Very low34.2Very low153 Ų153138.6 Ų138.682%0.81877%0.773SS**  -163.897.6103.7-128.8-26000115.6
446K39.4Very low34.6Very low172 Ų172134.2 Ų134.275%0.74876%0.759SS**  trans48.979132.1-158.2169.2172.5-68.60123.8
447L36.4Very low35.1Very low152 Ų152136.6 Ų136.680%0.79677%0.766SS**  trans58.5161.2134.6-70.5171.2000121.3
448P37.3Very low35.4Very low103 Ų103136.1 Ų136.167%0.66976%0.758SS**  cis-133.9153.2539-20.9000118.2
449N30.4Very low35.3Very low138 Ų138133.2 Ų133.274%0.73875%0.746SS**  trans49.9139.4139.1-58.1-12.2000124.3
450S34Very low35.6Very low116 Ų116133 Ų13381%0.81174%0.74SS**  trans91.7151154.482.60000118.4
451P32.6Very low35.5Very low108 Ų108129 Ų12970%0.70173%0.732SS**  cis-127.3167.4-37.736.4-23.3000113.4T453P451-T453 PolarHBondContact O-N 3.06Å
452T27.2Very low35.5Very low142 Ų142127.1 Ų127.187%0.87173%0.734SS**  trans-53.7128.1173.7-380000111.9
453T33.5Very low35.8Very low126 Ų126123.8 Ų123.877%0.77371%0.708SS**  trans-114.9126.4165.233.10000108.4P451P451-T453 PolarHBondContact O-N 3.06Å
454S36.8Very low35.7Very low88 Ų88121.8 Ų121.862%0.61571%0.711SS**  trans-87.6137172.341.50000109.6D456S454-D456 PolarHBondContact O-N 3.46Å; S454-D456 PolarHBondContact OG-OD2 2.91Å; S454-D456 VanDerWaalsContact OG-OD2 3.07Å
455D36.1Very low36.2Very low162 Ų162115.7 Ų115.787%0.86668%0.678SS**  trans-73.367.4173.9-67.2-62.7000111.5V457D455-V457 PolarHBondContact O-N 2.99Å
456D41.5Very low36.4Very low117 Ų117116.9 Ų116.963%0.62668%0.679SS**  trans-66.798.8169.4-77.7-60.1000109S454 L458S454-D456 PolarHBondContact O-N 3.46Å; S454-D456 PolarHBondContact OG-OD2 2.91Å; S454-D456 VanDerWaalsContact OG-OD2 3.07Å; D456-L458 VanDerWaalsContact C-N 3.27Å; D456-L458 PolarHBondContact O-N 3.26Å
457V40.8Very low36.6Very low128 Ų128115 Ų11578%0.77668%0.677SS**  trans-66.886.6176-178.40000109.2D455 T459D455-V457 PolarHBondContact O-N 2.99Å; V457-T459 PolarHBondContact O-N 3.26Å; V457-T459 PolarHBondContact O-OG1 3.41Å
458L36.6Very low36.9Very low120 Ų120116.2 Ų116.263%0.62868%0.678SS**  trans-65.974.9-176.1-72.3180000112.4D456 L460D456-L458 VanDerWaalsContact C-N 3.27Å; D456-L458 PolarHBondContact O-N 3.26Å; L458-L460 PolarHBondContact O-N 3.4Å
459T32.8Very low36.9Very low106 Ų106119.2 Ų119.265%0.6568%0.684SS**  trans-62.6107.9168.6-56.80000108.1V457 S461V457-T459 PolarHBondContact O-N 3.26Å; V457-T459 PolarHBondContact O-OG1 3.41Å; T459-S461 PolarHBondContact O-N 2.89Å
460L34.3Very low37.3Very low115 Ų115118.7 Ų118.760%0.60269%0.685SS**SBendtrans-71.869.2-178.1-76.1173.1000112L458L458-L460 PolarHBondContact O-N 3.4Å
461S36.3Very low37.2Very low95 Ų95119.5 Ų119.566%0.66468%0.681SS**  trans-152.236.9173.8-710000111.5T459T459-S461 PolarHBondContact O-N 2.89Å
462S32.2Very low37.5Very low102 Ų102119.2 Ų119.271%0.71368%0.679SS**  trans-107.281.6173.5-166.30000110.6
463D40.8Very low37.9Very low56 Ų56119.1 Ų119.130%0.29968%0.678SS.*  trans-108.177.3168.1-91.9-35000109.3R247 R264 R289 D465R247-D463 IonicContact NH2-OD1 3.65Å; R247-D463 PolarHBondContact NH2-OD1 3.36Å; R264-D463 IonicContact CZ-OD2 2.76Å; R264-D463 IonicContact NE-OD2 2.89Å; R264-D463 VanDerWaalsContact NH2-CB 3.34Å; R264-D463 IonicContact NH2-OD1 2.68Å; R264-D463 IonicContact NH2-OD2 3.25Å; R264-D463 PolarHBondContact NH2-OD2 2.89Å; R289-D463 PolarHBondContact NH1-O 3.22Å; D463-D465 PolarHBondContact O-N 3.09Å
464S36.3Very low38.1Very low107 Ų107119.9 Ų119.975%0.74868%0.677SS**  trans-71.272.3162.8-60.80000109.8
465D45.4Very low38Very low23 Ų23123.2 Ų123.212%0.12369%0.688CS.*  trans-77.5113158.5-67.2-46.6000107.2R257 R264 D463R257-D465 IonicContact CZ-OD1 3.15Å; R257-D465 VanDerWaalsContact CZ-OD1 3.28Å; R257-D465 IonicContact NE-OD1 2.66Å; R257-D465 IonicContact NH1-OD1 2.82Å; R257-D465 PolarHBondContact NH1-OD1 2.77Å; R264-D465 IonicContact CZ-OD2 3.75Å; R264-D465 IonicContact NH1-OD2 2.89Å; R264-D465 PolarHBondContact NH1-OD2 2.58Å; R264-D465 IonicContact NH2-OD2 3.51Å; R264-D465 PolarHBondContact NH2-OD2 2.93Å; D463-D465 PolarHBondContact O-N 3.09Å
466E44.9Very low37.9Very low179 Ų179120.7 Ų120.784%0.83668%0.683SS**  trans-62.2141.2174.4-62.3-174.4162.600110.8E468E466-E468 PolarHBondContact O-N 3.32Å
467N43.3Very low37.7Very low131 Ų131119 Ų11970%0.70169%0.693SS**  trans-83.8111.5177.6-72.8-35.8000109.6E469N467-E469 PolarHBondContact O-N 3.48Å; N467-E469 VanDerWaalsContact O-N 3.09Å
468E41.5Very low37.4Very low178 Ų178117.9 Ų117.983%0.83269%0.691SS**  trans-55.4108.6158.9-84.4-85.414800109.5E466 T470E466-E468 PolarHBondContact O-N 3.32Å; E468-T470 PolarHBondContact O-N 3.45Å; E468-T470 VanDerWaalsContact O-N 3.15Å
469E37.8Very low37.4Very low167 Ų167119.2 Ų119.278%0.7870%0.704SS**  trans-83.389.3-177.9-170.9167.4-127.500110.5N467 N471N467-E469 PolarHBondContact O-N 3.48Å; N467-E469 VanDerWaalsContact O-N 3.09Å; E469-N471 PolarHBondContact O-N 3.22Å; E469-N471 PolarHBondContact O-ND2 2.88Å
470T38.2Very low37.6Very low126 Ų126119.1 Ų119.177%0.77371%0.707SS**  trans-68.892.9178.956.30000111.1E468E468-T470 PolarHBondContact O-N 3.45Å; E468-T470 VanDerWaalsContact O-N 3.15Å
471N33.3Very low37.8Very low133 Ų133118.8 Ų118.871%0.71171%0.714SS**  trans-52.9127.6175.8-87.2-85000112E469 V473E469-N471 PolarHBondContact O-N 3.22Å; E469-N471 PolarHBondContact O-ND2 2.88Å; N471-V473 PolarHBondContact O-N 2.73Å
472P37.9Very low37.8Very low103 Ų103119.2 Ų119.267%0.66972%0.718SS**  trans-73.5121.4174.429.4-32.7000110.5N474P472-N474 PolarHBondContact O-N 3.14Å
473V36.5Very low38.2Very low139 Ų139120.9 Ų120.984%0.84272%0.723SS**  trans-72.299.8175.7178.90000109.7N471 N475N471-V473 PolarHBondContact O-N 2.73Å; V473-N475 PolarHBondContact O-N 3.07Å; V473-N475 VanDerWaalsContact O-N 3.12Å
474N36.2Very low38.2Very low142 Ų142123.5 Ų123.576%0.75975%0.746SS**  trans-69.1102.9171.8-76.1-27000110.2P472 S476P472-N474 PolarHBondContact O-N 3.14Å; N474-S476 PolarHBondContact O-N 2.82Å
475N34.9Very low38.3Very low159 Ų159122.4 Ų122.485%0.8575%0.752SS**  trans-88.8100.4176.6-164.614.3000110.3V473 G477V473-N475 PolarHBondContact O-N 3.07Å; V473-N475 VanDerWaalsContact O-N 3.12Å; N475-G477 PolarHBondContact O-N 3.43Å
476S34.7Very low37.9Very low109 Ų109126.2 Ų126.276%0.76278%0.78SS**  trans-76113.1-167.5-60.10000114.2N474N474-S476 PolarHBondContact O-N 2.82Å
477G36.3Very low37.6Very low80 Ų80123.9 Ų123.983%0.82577%0.773SS**  trans-78.3115.4166.500000111.8N475N475-G477 PolarHBondContact O-N 3.43Å
478S34.8Very low37.3Very low105 Ų105124.5 Ų124.573%0.73477%0.772SS**  trans-77.5134.7-173-178.90000114.8
479V37.9Very low37.2Very low149 Ų149124 Ų12490%0.90377%0.767SS**  trans-139.3140.7144.5-1760000108.2
480S35.9Very low37Very low103 Ų103121.9 Ų121.972%0.7277%0.766SS**  trans-101.9147.6-163.5-42.70000115.3
481S38Very low36.9Very low108 Ų108122 Ų12276%0.75577%0.769SS**  trans-173.7130.3133.859.10000113.3
482S37.9Very low36.7Very low105 Ų105121.7 Ų121.773%0.73477%0.772SS**  trans20.7147141.360.70000121.3
483V39.6Very low36.6Very low136 Ų136124 Ų12482%0.82478%0.777SS**  cis-176.8160.34.9124.70000106.3
484S40Very low36.4Very low112 Ų112124.2 Ų124.278%0.78377%0.774SS**  cis-173.1148.3-36.2-83.20000107.1
485G40.2Very low36.2Very low84 Ų84122.6 Ų122.687%0.86677%0.768SS**  trans178.2139176.300000113.6
486S35.2Very low36.4Very low102 Ų102121 Ų12171%0.71377%0.77SS**  trans-104.5178.2-17954.40000110.3
487D39.6Very low36.3Very low130 Ų130125.2 Ų125.270%0.69578%0.777SS**  cis-150.7156.526.9-87.7-65.9000112.8
488E37.3Very low36.3Very low144 Ų144125.3 Ų125.367%0.67378%0.779SS**  28.7144129.6-105.8173.1177.600121.3
489F38.2Very low36.2Very low167 Ų167126 Ų12673%0.73278%0.784SS**  cis-149162.527.3-96.6-82.6000113.7
490T33.9Very low36Very low124 Ų124125 Ų12576%0.76178%0.783SS**  trans-135.3155.3150.541.10000110.2
491P37.6Very low35.8Very low129 Ų129125.7 Ų125.784%0.83878%0.783SS**  trans-13215914836.2-24.2000114.1
492T28.9Very low35.9Very low126 Ų126130.5 Ų130.577%0.77379%0.79SS**  trans-118.5-165.6-176.5-48.80000109.3
493I34Very low35.4Very low151 Ų151132.6 Ų132.677%0.77479%0.793SS**  trans83.9134162.1-60.8166.6000114.1
494D32.6Very low35.2Very low144 Ų144131.8 Ų131.877%0.7779%0.788SS**  cis-146.5177.7-1.9-139.5-27.2000114.6
495V32.5Very low34.8Very low107 Ų107137.3 Ų137.365%0.64879%0.792SS**  trans-77.7153.9173.4176.70000113
496S38.2Very low34.6Very low127 Ų127143.6 Ų143.689%0.88879%0.79SS**  trans-151.7142.3148.7-83.30000112
497Q33.8Very low34.4Very low196 Ų196145.6 Ų145.692%0.91679%0.792SS**  trans-101.8158.1-176.2-64.4-177.7-8.500112.5
498G35.2Very low34.5Very low83 Ų83148 Ų14886%0.85680%0.799SS**  trans-168.5113.2168.100000112.2
499S33.3Very low34.2Very low120 Ų120150 Ų15084%0.83981%0.806SS**  trans-101.1152.1-17968.80000112.6
500S34.8Very low34.4Very low127 Ų127149.5 Ų149.589%0.88881%0.809SS**  trans-160.8144.8133.8-143.80000114.6
501V31.8Very low34.5Very low118 Ų118149.6 Ų149.672%0.71580%0.799SS**  trans-80146.7-176169.60000112.3
502K39.1Very low34.9Very low208 Ų208150.5 Ų150.590%0.90480%0.797SS**  trans-164.2124.7136.6-108.3152.8-168.7174.70115.5
503N27.4Very low35.3Very low149 Ų149149.9 Ų149.980%0.79779%0.789SS**  trans-75145168.8-91.2-45.7000112.2
504V36Very low35.6Very low120 Ų120150.3 Ų150.373%0.72779%0.791SS**  trans-141.8117148.1179.80000109.5
505R30.3Very low35.8Very low228 Ų228151 Ų15186%0.8680%0.795SS**  trans-80.9150163.5-72.3176.9172.3159.5-5.4109.6
506R36.6Very low35.9Very low216 Ų216149.7 Ų149.782%0.81580%0.795SS**  trans-129.9124.6150.1-72.5-166.7-179.188.30.3109.5
507N30.3Very low36Very low144 Ų144149.5 Ų149.577%0.7779%0.794SS**  trans-88.4142.5157.4-61.2-3.5000106.5
508E41.7Very low35.9Very low179 Ų179147.6 Ų147.684%0.83679%0.79SS**  trans-122141150.9-71.2-166.9156.700109
509K31.7Very low35.9Very low186 Ų186150.1 Ų150.181%0.80979%0.789SS**  trans-13997.9-173.1174.3-170.4174.1-177.30106.3
510I43.5Very low35.8Very low157 Ų157149.5 Ų149.581%0.80578%0.784SS**  trans-93.6136.1169.7-65.3173.5000107.4
511K35.7Very low35.8Very low126 Ų126151.6 Ų151.655%0.54879%0.785SS.*  trans-142.6115.5-178.9172-159.2179-760105.7D513K511-D513 WeakPolarHBondContact CE-OD1 3.41Å; K511-D513 IonicContact NZ-OD1 2.75Å; K511-D513 PolarHBondContact NZ-OD1 3.38Å; K511-D513 IonicContact NZ-OD2 2.59Å; K511-D513 PolarHBondContact NZ-OD2 2.92Å
512D46.1Very low35.9Very low149 Ų149150.9 Ų150.980%0.79779%0.785SS**  trans-133138.5160-76.6-62.9000108
513D35.8Very low35.8Very low112 Ų112147.9 Ų147.960%0.59978%0.784SS**  trans-93.3165.3178.7-38.4-91.9000109.3K511K511-D513 WeakPolarHBondContact CE-OD1 3.41Å; K511-D513 IonicContact NZ-OD1 2.75Å; K511-D513 PolarHBondContact NZ-OD1 3.38Å; K511-D513 IonicContact NZ-OD2 2.59Å; K511-D513 PolarHBondContact NZ-OD2 2.92Å
514I41.9Very low36.2Very low161 Ų161146.2 Ų146.283%0.82678%0.781SS**  -179.4126.2128.5-93.9155.6000111.5
515D36.8Very low35.9Very low159 Ų159146.3 Ų146.385%0.8578%0.782SS**  trans41.4151.7161-88.4-55.3000125.3
516A34Very low36Very low79 Ų79141.9 Ų141.965%0.65378%0.78SS**  trans-116.1158.7173.400000110.7
517S40.1Very low35.5Very low123 Ų123137 Ų13786%0.8678%0.778SS**  trans-147.5126.4158.5-80.90000109.9
518N32.2Very low35.6Very low155 Ų155135.8 Ų135.883%0.82978%0.781SS**  trans-77.4154.2-179.2-48.4-80.6000110.6
519T35Very low35.1Very low136 Ų136133.2 Ų133.283%0.83478%0.782SS**  -157.7120.4126.4-74.80000108.9
520S30.6Very low35.3Very low107 Ų107130.6 Ų130.675%0.74878%0.782SS**  trans-88.1145.3170.348.60000110.4
521L35.7Very low34.9Very low171 Ų171129 Ų12990%0.89578%0.78SS**  trans-149116.2159.2-113166000110
522S33.4Very low34.7Very low103 Ų103130.1 Ų130.172%0.7279%0.791SS**  trans-119.9142.7-176.749.30000110.6
523V37.7Very low34.1Very low145 Ų145129.1 Ų129.188%0.87979%0.793SS**  trans-161.3159.6150.2-100.70000109.1
524P35.1Very low33.8Very low114 Ų114129.1 Ų129.174%0.7480%0.797SS**  trans-124.2-176.3-141.644.6-34.5000116.4
525V29.8Very low33.6Very low122 Ų122128.3 Ų128.374%0.73980%0.8SS**  trans-50.7136.9168.6175.70000112.7
526T33Very low33.5Very low136 Ų136126.1 Ų126.183%0.83479%0.792SS**  trans-139122.3151.635.30000110.6
527C25.1Very low33.8Very low114 Ų114130.3 Ų130.377%0.7780%0.802SS**  trans-96.1136.9168.3-56.80000108.9
528S33.8Very low33.6Very low117 Ų117130.7 Ų130.782%0.81880%0.795SS**  trans-157.3115.8170.2-78.30000111.5
529S30.2Very low34Very low125 Ų125130.7 Ų130.787%0.87479%0.794SS**  trans-95.6118.1172.8-50.50000109.6
530T36.1Very low34.3Very low131 Ų131131.7 Ų131.780%0.80479%0.793SS**  trans-142.8136.4171-62.60000111.7
531T35.8Very low34.7Very low125 Ų125134 Ų13477%0.76780%0.797SS**  trans-34.4162.7-179.652.40000121.3
532L30Very low35.4Very low148 Ų148134.3 Ų134.378%0.77580%0.799SS**  trans-56.7169.2169.7-58.672.8000113.2
533P34.7Very low35.7Very low128 Ų128136.2 Ų136.283%0.83180%0.802SS**  -135.1162.298.839.1-31000115.6
534T29.2Very low35.9Very low113 Ų113136.2 Ų136.269%0.69380%0.797SS**  trans-70.5146.3176.8-52.40000113.2
535T38.4Very low36Very low143 Ų143135.3 Ų135.388%0.87779%0.793SS**  trans-128.6131.1154.443.50000110.7
536T32.9Very low36.4Very low114 Ų114134.2 Ų134.270%0.69979%0.791SS**  trans-103.8137.4-176.2-16.30000110.7
537I40.3Very low36.8Very low167 Ų167133.8 Ų133.886%0.85679%0.788SS**  trans-142129.7150.4-58.1-175.9000106.7
538D36.4Very low37.4Very low131 Ų131135.2 Ų135.270%0.70179%0.788SS**  trans-80.6171.5-176-44.3-79000112.9
539L40Very low37.2Very low155 Ų155135 Ų13581%0.81279%0.786SS**  -176.2131.9123.6-101.2165.3000114.2
540L43Very low37.5Very low157 Ų157135.3 Ų135.382%0.82279%0.788SS**  trans76.8103.5160.8-54.2-179000119.3
541D39.1Very low37.2Very low155 Ų155135.4 Ų135.483%0.82979%0.788SS**  trans-79.5168.5159.5-46-88.3000112.3
542D48.9Very low37.3Very low177 Ų177135 Ų13595%0.94779%0.791SS**  trans-142.4112.9157.5-128.6-23.3000108.2
543D40.6Very low37.7Very low143 Ų143134.1 Ų134.177%0.76579%0.791SS**  trans-112.5143.1-159.9-150.6-8.6000111.4
544N40.7Very low38.1Very low146 Ų146133.6 Ų133.678%0.78179%0.788SS**  trans-159.9132.3142-131.9-44.2000116.7
545S37.9Very low38.6Very low94 Ų94139.2 Ų139.266%0.65780%0.797SS**  trans-57.2177162.271.10000113.8
546S38.8Very low38.6Very low99 Ų99140.3 Ų140.369%0.69279%0.792SS**  cis-166-178.620.553.60000108.5
547T40.6Very low39Very low128 Ų128144.6 Ų144.679%0.78580%0.801SS**  cis-153.3176.72.2-16.40000110.3
548D37.3Very low38.8Very low144 Ų144146.6 Ų146.677%0.7780%0.797SS**  trans-76.3162.8-176.6-66.1-88000119.3
549C29.9Very low38.9Very low113 Ų113145.9 Ų145.976%0.76480%0.8SS**  trans37.6128.5141-670000122.5
550S36.4Very low38.6Very low131 Ų131148.5 Ų148.592%0.91680%0.799SS**  -167.2153.2118-87.70000114.7
551T30.8Very low38.3Very low132 Ų132148.6 Ų148.681%0.8180%0.8SS**  trans-93.9142.1-175-530000113.4
552S37.7Very low37.9Very low118 Ų118147.8 Ų147.883%0.82580%0.796SS**  trans-165.1165.2147.544.60000111.9
553T39.1Very low37.4Very low128 Ų128149.5 Ų149.579%0.78579%0.79SS**  trans-128.3-159.5-160.862.70000112.5
554P42.1Very low37Very low118 Ų118147.4 Ų147.477%0.76679%0.786SS**  -125170.2-118.234.9-13.8000116.9
555R39.2Very low36.4Very low230 Ų230145 Ų14587%0.86878%0.78SS**  trans-161.1114.9159.2-107.4166172.6171.9-0.6108.3
556E39.9Very low36.3Very low167 Ų167149.2 Ų149.278%0.7879%0.789SS**  76.8104.963.2-170.5-171.7-142.400114.5
557K40.8Very low35.9Very low203 Ų203149.9 Ų149.988%0.88379%0.794SS**  -166.4151.4127.8-103156.8-172.4178.20113.3
558R35.4Very low35.6Very low209 Ų209150.4 Ų150.479%0.78980%0.797SS**  trans-97.6-176.7178.5-82.2177.9179.2168.52.2109.9
559P39.6Very low35.2Very low117 Ų117151.3 Ų151.376%0.7680%0.802SS**  cis-124.7160.88.326.7-2.2000114.7
560R33.1Very low35.6Very low209 Ų209151.4 Ų151.479%0.78980%0.801SS**  61.6113.263.6-92.3-168-179.2-175.4-0.7115.8
561L36.6Very low35.3Very low159 Ų159150.5 Ų150.583%0.83280%0.795SS**  trans-150.4159.7143.6-111.4168.6000109.6Y563L561-Y563 HydrophobicContact CD2-CD2 4.47Å; L561-Y563 HydrophobicContact CD2-CE2 4.28Å
562N31.2Very low35.5Very low139 Ų139151.2 Ų151.274%0.74379%0.792SS**  trans-119.6-163.7-176.6-95.7-0.7000109.7
563Y38Very low35.3Very low213 Ų213150.5 Ų150.584%0.83578%0.783SS**  trans78.4120.2-179.8-41.7-70.2000112.3L561L561-Y563 HydrophobicContact CD2-CD2 4.47Å; L561-Y563 HydrophobicContact CD2-CE2 4.28Å
564S32.1Very low35.1Very low98 Ų98154.5 Ų154.569%0.68579%0.785SS**  cis99.7123.429.6-172.70000112.9
565C28.3Very low34.7Very low95 Ų95155.6 Ų155.664%0.64278%0.784SS**  trans59.2145.415958.10000121.4
566H36.5Very low34.4Very low183 Ų183152.6 Ų152.685%0.84779%0.786SS**  trans89.9145166.5-55.3-67.2000119
567S28.9Very low34.2Very low113 Ų113152 Ų15279%0.7978%0.783SS**  trans-107.4147.8-166.4-34.20000111.7
568T35.5Very low33.7Very low139 Ų139150.8 Ų150.885%0.85378%0.778SS**  trans-162.6130.1144.537.40000109.5
569D28.1Very low33.6Very low164 Ų164145.6 Ų145.688%0.87777%0.771SS**  trans-71.2151.9159.8-81.3-57.6000110.9
570P38.2Very low33Very low115 Ų115150.3 Ų150.375%0.74778%0.78SS**  trans-122.5124146.934.1-23.5000111.4
571S30.4Very low33Very low112 Ų112145 Ų14578%0.78378%0.775SS**  trans-66.4138.3172.754.90000112.4
572I35.5Very low32.8Very low146 Ų146143.6 Ų143.675%0.74977%0.773SS**  trans-123.5120.9160.3-63.4-177.9000109Y574I572-Y574 HydrophobicContact CG2-CD2 4.4Å; I572-Y574 HydrophobicContact CG2-CE2 4.13Å
573T32.4Very low33.1Very low103 Ų103143 Ų14363%0.63278%0.777SS**  trans-79.4131.3-178.2-50.90000111.4
574Y34.7Very low32.7Very low213 Ų213140.6 Ų140.684%0.83578%0.778SS**  trans-124.797.5158.1-87.3-79.6000110.1I572I572-Y574 HydrophobicContact CG2-CD2 4.4Å; I572-Y574 HydrophobicContact CG2-CE2 4.13Å
575N34.8Very low32.5Very low140 Ų140144 Ų14475%0.74979%0.787SS**  trans-70.3131.6161-72-23.3000108.4
576N32.8Very low32.8Very low168 Ų168148 Ų14890%0.89880%0.796SS**  trans-144.3126.4145.5-101.2-31.7000108.7
577Q34.8Very low32.4Very low154 Ų154148.5 Ų148.572%0.7280%0.799SS**  trans-109.3177.4-175.3-172.5170.6-0.100108.6
578F29.9Very low32.7Very low177 Ų177149.4 Ų149.478%0.77680%0.8SS**  trans77.4148174.2-50-78.2000116.1
579P33.3Very low32.8Very low100 Ų100154.4 Ų154.465%0.64980%0.803SS**  cis-134.2163.2-40.336.7-23.3000113.3S581P579-S581 PolarHBondContact O-N 3.13Å
580F27.9Very low33.1Very low217 Ų217156.2 Ų156.295%0.95281%0.807SS**  trans-61.2133.3154.3-99.7-104.4000109
581S33.4Very low32.9Very low98 Ų98155.9 Ų155.969%0.68581%0.807SS**  trans-152.6116169.6-74.30000109.6P579P579-S581 PolarHBondContact O-N 3.13Å
582T31.9Very low33.2Very low129 Ų129156.2 Ų156.279%0.79181%0.809SS**PPolyproline II helixtrans-69.3127.217346.20000109.8L584T582-L584 PolarHBondContact O-N 3.42Å
583P36.6Very low33.3Very low126 Ų126158.3 Ų158.382%0.81882%0.816SS**PPolyproline II helixtrans-65.3127.4166.928.2-32.2000108.8
584L31.1Very low33.5Very low163 Ų163159.5 Ų159.585%0.85382%0.823SS**PPolyproline II helixtrans-66.3153.9173.9-150.684.3000109.8T582 Q586T582-L584 PolarHBondContact O-N 3.42Å; L584-Q586 PolarHBondContact O-N 3.34Å; L584-Q586 VanDerWaalsContact O-N 3.11Å
585L27.7Very low33.3Very low170 Ų170156.5 Ų156.589%0.8982%0.821SS**  trans-59.6114.7169.1-86.6161.9000110
586Q33.5Very low33.3Very low177 Ų177155.9 Ų155.983%0.82782%0.822SS**  trans-135.1130158.2-164.7161.9500109.7L584 T588L584-Q586 PolarHBondContact O-N 3.34Å; L584-Q586 VanDerWaalsContact O-N 3.11Å; Q586-T588 PolarHBondContact O-N 3.02Å
587E28.6Very low33.5Very low194 Ų194151.4 Ų151.491%0.90780%0.801SS**  trans-78.8117.3-169.5-176.6175.3-142.400111.1
588T35.3Very low33.6Very low133 Ų133147.7 Ų147.782%0.81680%0.796SS**  trans-127.4128.5175.445.50000111.4Q586Q586-T588 PolarHBondContact O-N 3.02Å
589R38.3Very low34Very low243 Ų243142.3 Ų142.392%0.91778%0.778SS**  trans-66.9158.8-177.2-67.9177.6173.1176.9-4.7112.3S591R589-S591 PolarHBondContact O-N 3.07Å
590Q33.8Very low34.4Very low202 Ų202148 Ų14894%0.94479%0.786SS**  trans-53.8131.9-172-62.9171.1-5.600113.2
591S33.6Very low35.2Very low109 Ų109146.6 Ų146.676%0.76278%0.776SS**  trans-149.2113.6164.5-168.70000109.7R589 Q593R589-S591 PolarHBondContact O-N 3.07Å; S591-Q593 PolarHBondContact O-N 3.2Å
592S36.4Very low36.8Very low118 Ų118144 Ų14483%0.82576%0.764SS**  trans-78.7103.7-175.5-59.70000111.2
593Q39.2Very low37.9Very low190 Ų190143.8 Ų143.889%0.88877%0.765SS**  trans-77.2123.1173.5-63.7-173.37.900110.9S591S591-Q593 PolarHBondContact O-N 3.2Å
594V35.8Very low38.7Very low128 Ų128148.8 Ų148.878%0.77677%0.77SS**  trans-89.2112174.7178.70000109.4T596V594-T596 PolarHBondContact O-N 3.21Å
595L31.7Very low39.8Very low151 Ų151143 Ų14379%0.79175%0.749SS**  trans-87.9101.7177.8-171.774.2000111.2V597L595-V597 HydrophobicContact CD2-CG2 4.21Å; L595-V597 HydrophobicContact CG-CG2 4.34Å; L595-V597 PolarHBondContact O-N 2.93Å
596T34.4Very low40.1Very low127 Ų127138 Ų13878%0.77973%0.727SS**  trans-79.6101.7175.5-55.20000111.1V594V594-T596 PolarHBondContact O-N 3.21Å
597V36.2Very low40.5Very low74 Ų74135 Ų13545%0.44872%0.717SS.*  trans-86.4122.1172.5-1780000109.9L595 T608L595-V597 HydrophobicContact CD2-CG2 4.21Å; L595-V597 HydrophobicContact CG-CG2 4.34Å; L595-V597 PolarHBondContact O-N 2.93Å; V597-T608 HydrophobicContact CG1-CG2 3.75Å
598A36.8Very low40.9Very low75 Ų75129.9 Ų129.962%0.6270%0.699SS**  trans-104.797.8-178.900000111.7
599T39.5Very low41.1Very low65 Ų65130.8 Ų130.840%0.39969%0.692SS.*  trans-76.5129.3175.5-490000111.3Y601 C606T599-Y601 HydrophobicContact CG2-CD2 4.29Å; T599-Y601 HydrophobicContact CG2-CE2 3.84Å; T599-C606 WeakPolarHBondContact CG2-SG 3.46Å
600R41.6Very low41Very low218 Ų218124.1 Ų124.182%0.82368%0.683SS**EExtended strand (participates in β ladder)trans-109.4133163.4-71.3-170.3179.3-163.81.3109.6
601Y44.7Very low41.1Very low189 Ų189122.6 Ų122.674%0.74168%0.676SS**EExtended strand (participates in β ladder)trans-93126.8170.9-71.7-87.5000109.5T599 C606T599-Y601 HydrophobicContact CG2-CD2 4.29Å; T599-Y601 HydrophobicContact CG2-CE2 3.84Å; Y601-C606 HydrophobicContact CD1-CB 4.25Å; Y601-C606 HydrophobicContact CE1-CB 3.97Å
602G66.9Low41Very low42 Ų42126.7 Ų126.743%0.43369%0.685SS.*EExtended strand (participates in β ladder)trans-116167.2172.900000111.4Y604 G605G602-Y604 PolarHBondContact O-N 2.78Å; G602-G605 PolarHBondContact N-O 3.33Å; G602-G605 PolarHBondContact O-N 3.31Å; G602-G605 VanDerWaalsContact O-N 3.08Å
603P55.2Low40.9Very low126 Ų126125.6 Ų125.682%0.81868%0.683SS**THydrogen-bonded Turntrans-65.91.9-175.927.5-35.9000115.2
604Y53.2Low40.6Very low231 Ų231121.9 Ų121.991%0.90668%0.678SS**THydrogen-bonded Turntrans-119.1-5.3176.9-60.7-67.4000114G602G602-Y604 PolarHBondContact O-N 2.78Å
605G52.9Low40.4Very low40 Ų40120.2 Ų120.241%0.41268%0.678SS.*EExtended strand (participates in β ladder)trans145-163.3179.900000114.8G602G602-G605 PolarHBondContact N-O 3.33Å; G602-G605 PolarHBondContact O-N 3.31Å; G602-G605 VanDerWaalsContact O-N 3.08Å
606C35.4Very low40.4Very low65 Ų65121.3 Ų121.344%0.43968%0.678SS.*EExtended strand (participates in β ladder)trans-105111.7-180178.20000109.7T599 Y601T599-C606 WeakPolarHBondContact CG2-SG 3.46Å; Y601-C606 HydrophobicContact CD1-CB 4.25Å; Y601-C606 HydrophobicContact CE1-CB 3.97Å
607D40.7Very low40.3Very low116 Ų116120.9 Ų120.962%0.6268%0.675SS**EExtended strand (participates in β ladder)trans-104105.2174.4-76.7-43.9000110F609D607-F609 HydrophobicContact CB-CD2 4.19Å; D607-F609 HydrophobicContact CB-CE2 4.21Å; D607-F609 PolarHBondContact O-N 2.9Å
608T37.9Very low40.2Very low85 Ų85122.6 Ų122.652%0.52169%0.686SS.*  trans-84.991.6179.2-51.90000110.9V597 S610V597-T608 HydrophobicContact CG1-CG2 3.75Å; T608-S610 PolarHBondContact O-N 2.8Å
609F39.5Very low40Very low152 Ų152126 Ų12667%0.66769%0.689SS**  trans-84.7104175.9-91.6-89.7000112.7D607 Q611D607-F609 HydrophobicContact CB-CD2 4.19Å; D607-F609 HydrophobicContact CB-CE2 4.21Å; D607-F609 PolarHBondContact O-N 2.9Å; F609-Q611 PolarHBondContact O-N 3.01Å; F609-Q611 VanDerWaalsContact O-N 3.16Å
610S34.8Very low39.8Very low104 Ų104134 Ų13473%0.72771%0.711SS**  trans-7887.3163.8-67.30000110.7T608T608-S610 PolarHBondContact O-N 2.8Å
611Q36Very low39.4Very low170 Ų170131.3 Ų131.379%0.79471%0.706SS**  trans-81.8118.5164.7-72.3-171.9-9.400109.9F609 A613F609-Q611 PolarHBondContact O-N 3.01Å; F609-Q611 VanDerWaalsContact O-N 3.16Å; Q611-A613 PolarHBondContact O-N 3.32Å; Q611-A613 VanDerWaalsContact O-N 3.09Å
612M32.2Very low39Very low195 Ų195128.1 Ų128.196%0.96171%0.708SS**  trans-68.3102.1163.1-75.4-178.3169.900108.6S614M612-S614 PolarHBondContact O-N 3.5Å
613A33.2Very low37.5Very low95 Ų95132.2 Ų132.279%0.78573%0.725SS**  trans-64.8124168.500000109Q611 A615Q611-A613 PolarHBondContact O-N 3.32Å; Q611-A613 VanDerWaalsContact O-N 3.09Å; A613-A615 PolarHBondContact O-N 2.66Å
614S32.9Very low36.5Very low112 Ų112131.8 Ų131.878%0.78372%0.72SS**  trans-60.8136.7-177.4-171.30000111.5M612 H616M612-S614 PolarHBondContact O-N 3.5Å; S614-H616 PolarHBondContact O-N 3.35Å
615A31.8Very low35.6Very low92 Ų92127 Ų12776%0.7672%0.715SS**  trans-74.690-173.800000112.2A613 V617A613-A615 PolarHBondContact O-N 2.66Å; A615-V617 PolarHBondContact O-N 2.62Å
616H33.1Very low34.7Very low174 Ų174130.5 Ų130.581%0.80673%0.728SS**  trans-77.5105.4163.6-103.4-71.1000110.5S614 V618S614-H616 PolarHBondContact O-N 3.35Å; H616-V618 PolarHBondContact O-N 3.29Å
617V32.4Very low34.5Very low118 Ų118133.1 Ų133.172%0.71574%0.743SS**  trans-69.299.9170.5-179.70000109.1A615A615-V617 PolarHBondContact O-N 2.62Å
618V32.7Very low34.1Very low111 Ų111135.6 Ų135.667%0.67376%0.755SS**  trans-94.396.3173.4-176.60000109.2H616 R620H616-V618 PolarHBondContact O-N 3.29Å; V618-R620 HydrophobicContact CG1-CG 4.24Å; V618-R620 PolarHBondContact O-N 3.01Å
619H32.7Very low33.6Very low147 Ų147138.2 Ų138.268%0.68176%0.764SS**  trans-6495.6167.6-87.4-91.2000110.3F621H619-F621 HydrophobicContact CB-CD2 4.27Å; H619-F621 HydrophobicContact CB-CE2 4.06Å; H619-F621 PolarHBondContact O-N 3.23Å
620R36Very low33.4Very low232 Ų232137.9 Ų137.988%0.87578%0.775SS**  trans-8189.8163.8-77.7-171.6170.7163.9-1.4109.6V618V618-R620 HydrophobicContact CG1-CG 4.24Å; V618-R620 PolarHBondContact O-N 3.01Å
621F33.4Very low33.2Very low162 Ų162139.6 Ų139.671%0.71178%0.776SS**  trans-59.9142.1160.1-74-89.6000109.8H619 V623H619-F621 HydrophobicContact CB-CD2 4.27Å; H619-F621 HydrophobicContact CB-CE2 4.06Å; H619-F621 PolarHBondContact O-N 3.23Å; F621-V623 PolarHBondContact O-N 3.41Å; F621-V623 VanDerWaalsContact O-N 3.09Å
622P37.1Very low33.1Very low121 Ų121140 Ų14079%0.78678%0.775SS**  trans-70.7104.3172.228.8-32.4000109.3T624P622-T624 PolarHBondContact O-N 3.05Å
623V34.3Very low33.2Very low128 Ų128137.5 Ų137.578%0.77677%0.765SS**  trans-76.4105.6172179.80000108.7F621 T625F621-V623 PolarHBondContact O-N 3.41Å; F621-V623 VanDerWaalsContact O-N 3.09Å; V623-T625 PolarHBondContact O-N 2.71Å
624T35.3Very low33.3Very low118 Ų118139.5 Ų139.572%0.72476%0.757SS**  trans-65114167.246.50000110.2P622 T626P622-T624 PolarHBondContact O-N 3.05Å; T624-T626 PolarHBondContact O-N 3.38Å
625T32.6Very low33.5Very low129 Ų129141.1 Ų141.179%0.79175%0.753SS**  trans-76.287175.8-50.80000110.8V623 T627V623-T625 PolarHBondContact O-N 2.71Å; T625-T627 PolarHBondContact O-N 3.45Å
626T35.1Very low33.7Very low114 Ų114144.9 Ų144.970%0.69976%0.755SS**  trans-73.7116.4169.6-58.50000109.8T624T624-T626 PolarHBondContact O-N 3.38Å
627T30.1Very low33.9Very low121 Ų121141.2 Ų141.274%0.74275%0.749SS**  trans-71.3129172.537.80000111.3T625T625-T627 PolarHBondContact O-N 3.45Å
628L32.5Very low34.1Very low168 Ų168139.5 Ų139.588%0.8874%0.742SS**  trans-124.4121.9164.7-83.1172.8000109.8
629I28Very low34.4Very low140 Ų140141.7 Ų141.772%0.71875%0.745SS**  trans-96.5126.3-179.2-61.2165.2000108.6
630T35.3Very low34.6Very low144 Ų144142.1 Ų142.188%0.88375%0.747SS**  trans-140.7151.5150.641.60000109.9
631N31.1Very low34.4Very low140 Ų140138.8 Ų138.875%0.74974%0.739SS**  trans-108154.3-166.4-51.4-73.5000111.7
632K34Very low34.6Very low180 Ų180137.8 Ų137.878%0.78375%0.746SS**  167.2130.6111.4-94.3-176.1171.4-171.40114.3
633L34.3Very low34.5Very low141 Ų141138.1 Ų138.174%0.73874%0.741SS**  trans59.5152.1136.8-48.6170.5000118.2
634H34.4Very low34.5Very low137 Ų137138.7 Ų138.763%0.63474%0.74SS**  cis-152.3176.10.2-146-140.7000110.4
635E36.5Very low34.5Very low147 Ų147137.4 Ų137.469%0.68774%0.736SS**  trans61.8139.8159.4-77.9139-150.800119
636E37.2Very low34.7Very low170 Ų170140.8 Ų140.879%0.79474%0.735SS**  cis-155.4171.3-12.7-136.5178.7-167.600113.1
637S36.5Very low34.8Very low98 Ų98144.2 Ų144.269%0.68574%0.74SS**  trans-17.6158.8164.2-82.80000121.6
638S36.9Very low34.9Very low81 Ų81143.1 Ų143.157%0.56674%0.736SS**  cis-176.2149.7-10.8-102.70000112.1
639Q38.5Very low34.9Very low158 Ų158140.4 Ų140.474%0.73873%0.732SS**  trans65.2157.2143.9-67.6167.114.400119.1
640H37.7Very low35.3Very low155 Ų155139.6 Ų139.672%0.71874%0.738SS**  cis-144.3-1784.5-125.4-44.2000113.3
641F31.7Very low35.1Very low162 Ų162140.3 Ų140.371%0.71173%0.733SS**  trans-71.5174.3-173.8-92.8-106.3000113.6
642V37.7Very low35.3Very low141 Ų141140.8 Ų140.886%0.85574%0.741SS**  -154.1150.158.9-161.30000114.9
643N35.3Very low35.4Very low128 Ų128139.3 Ų139.368%0.68474%0.737SS**  trans-76.5171.1173.1-65.7-41.8000113.9
644N34.4Very low35.3Very low141 Ų141137.6 Ų137.675%0.75473%0.732SS**  -149.3155.9121.7-134.4-12.9000113.7
645S34.2Very low35.4Very low91 Ų91138.7 Ų138.764%0.63674%0.743SS**  trans-162.3146-171.7-177.10000114
646Y37.2Very low35.1Very low199 Ų199137 Ų13778%0.7875%0.747SS**  trans-141.4130.3166.7-53.9-79000106.8
647K37.2Very low35.1Very low187 Ų187135.4 Ų135.481%0.81375%0.753SS**  cis66.6142.731.2-81.3-170.6166.5-172.70114.5
648C31.7Very low34.9Very low97 Ų97136.3 Ų136.366%0.65576%0.759SS**  cis-146.1151.63.4-106.40000108.1
649S33.2Very low34.9Very low112 Ų112137.9 Ų137.978%0.78377%0.77SS**  76.7128.460-49.20000116.9
650S36.6Very low34.7Very low123 Ų123136.1 Ų136.186%0.8677%0.771SS**  trans-154.8161.4145.473.90000111.7
651M30.8Very low34.4Very low158 Ų158136.7 Ų136.778%0.77877%0.771SS**  trans-143.9155.5179-69.5170.263.800109.6
652V36.5Very low34.7Very low150 Ų150137 Ų13791%0.90977%0.772SS**  trans-137.5162.4158.3-172.90000109.1
653H34Very low34.8Very low149 Ų149135.6 Ų135.669%0.6977%0.766SS**  trans-121.4160.3-153.2-119.1-107.2000115.9
654V33.1Very low34.9Very low105 Ų105137.2 Ų137.264%0.63677%0.774SS**  trans-19.6153.7167.1-56.70000120.9
655N36.1Very low35Very low161 Ų161135.4 Ų135.486%0.86177%0.768SS**  -167.7161.9114.4-99.1-34000114.2
656S31.7Very low35.1Very low111 Ų111137.4 Ų137.478%0.77678%0.776SS**  trans-105.5162.3-169-46.60000114.3
657C35.8Very low35.2Very low137 Ų137133.7 Ų133.793%0.92678%0.777SS**  trans-166.6163143.7-1130000112.2
658S33.2Very low35Very low116 Ų116130.2 Ų130.281%0.81178%0.775SS**  trans-134.7147.5-165-470000114
659S36.6Very low35.3Very low115 Ų115133 Ų13380%0.80478%0.783SS**  trans-169.190.8153.557.90000116.2
660T34Very low35.3Very low121 Ų121133.6 Ų133.674%0.74278%0.777SS**  28.1153.2124.3-27.20000123.7
661F32.3Very low35.4Very low167 Ų167135 Ų13573%0.73278%0.775SS**  trans86.7143.3168-74.9-110.3000117.9
662K37.4Very low35.5Very low168 Ų168131.9 Ų131.973%0.7377%0.769SS**  cis-167154.4-25.9-119.3-163.2-166.2-179.20109.8
663P40.4Very low35.5Very low111 Ų111129.7 Ų129.772%0.72176%0.76SS**  trans-109.2159.1178.239.4-32.9000115.9
664L37.3Very low35.5Very low163 Ų163127.4 Ų127.485%0.85376%0.761SS**  trans-135146160.3-87.784.5000106.9
665T36.2Very low35.5Very low103 Ų103128 Ų12863%0.63277%0.77SS**  cis127104-1.653.90000112.2
666T35.7Very low35.6Very low132 Ų132124.7 Ų124.781%0.8176%0.759SS**  trans67.7167136.962.50000120.6
667P39.4Very low36Very low121 Ų121127.9 Ų127.979%0.78676%0.762SS**  cis-126.2175.3-7.3195.6000115.3
668C33Very low36Very low114 Ų114126.8 Ų126.877%0.7775%0.753SS**  trans-77.5172.8169-49.50000112.3
669N37.7Very low36.2Very low156 Ų156128 Ų12883%0.83476%0.756SS**  trans-142.9137.1139.7-160.213.2000111
670N32.7Very low36Very low124 Ų124128.3 Ų128.366%0.66375%0.753SS**  trans-108.8154-178.8-71.9-18.4000110.2
671N38.8Very low36.1Very low153 Ų153128.7 Ų128.782%0.81876%0.755SS**  trans-158.682.5146.4-102.5-28.9000112.5
672S34.5Very low36.3Very low92 Ų92127.7 Ų127.764%0.64375%0.753SS**  51.1140.9119.4-48.80000122.8
673S36.1Very low36.1Very low104 Ų104126.9 Ų126.973%0.72775%0.75SS**  trans75.384.9141.845.30000121
674S33.1Very low35.9Very low102 Ų102131.1 Ų131.171%0.71375%0.753SS**  68.6125.1107.866.80000122.8
675S33.3Very low35.7Very low118 Ų118130.7 Ų130.783%0.82575%0.75SS**  trans69.5146.4149.481.20000116.8
676S38.3Very low35.7Very low90 Ų90130.1 Ų130.163%0.62976%0.756SS**  cis-160.4158.518.161.20000113.1
677H39.4Very low35.5Very low179 Ų179130.7 Ų130.783%0.82975%0.754SS**  trans62.7143.6161.9-61.7-63.2000121.6
678P37.7Very low35.2Very low113 Ų113128.1 Ų128.173%0.73474%0.739SS**  trans-102.5157.4178.240-34.9000113.5
679T36.3Very low35.4Very low142 Ų142133.3 Ų133.387%0.87174%0.744SS**  trans-150.1129.3153.3-59.90000112
680T33Very low35.1Very low121 Ų121130.5 Ų130.574%0.74274%0.737SS**  trans-40.3146166-54.90000116.1
681T36.2Very low35.3Very low130 Ų130131 Ų13180%0.79874%0.739SS**  -173.4149.1120.3-70.90000111.5
682Q35Very low35.1Very low145 Ų145130.1 Ų130.168%0.67873%0.734SS**  trans-71.2166.3178.2-64.3158.5-31.800111
683F34.9Very low34.9Very low152 Ų152132.2 Ų132.267%0.66774%0.738SS**  176159.971.4-108.2-66000114.9
684Y35.3Very low34.9Very low200 Ų200132.3 Ų132.378%0.78473%0.734SS**  trans76.4146150-83.3-63000123.8
685L32.9Very low34.8Very low154 Ų154133.8 Ų133.881%0.80673%0.734SS**  trans-102.3154.4-176.5-77.365.2000112.1
686A35.9Very low34.9Very low91 Ų91136.2 Ų136.275%0.75274%0.738SS**  -149.5135.8129.800000106.8
687N32Very low34.5Very low144 Ų144138.1 Ų138.177%0.7775%0.746SS**  52.3131.458.9-80.4-3.1000113.2
688S33.8Very low34.2Very low67 Ų67136.1 Ų136.147%0.46975%0.746SS.*  cis-171.5-173.14.438.50000110.9
689Y36.8Very low33.8Very low222 Ų222136.9 Ų136.987%0.87175%0.749SS**  trans81.5152.6165.2-43.8-63.8000117.6
690S32.1Very low33.7Very low97 Ų97135.5 Ų135.568%0.67875%0.745SS**  cis-172.1177.2-30.7-164.40000110.1
691L36.1Very low33.4Very low136 Ų136135.4 Ų135.471%0.71275%0.748SS**  trans77.3104.3157-67.1144.4000120.4
692N34.5Very low33.5Very low134 Ų134138.6 Ų138.672%0.71775%0.751SS**  65.6119.2118.8-6610.6000120.5
693N30.5Very low33.4Very low136 Ų136139.5 Ų139.573%0.72776%0.76SS**  80.7125.589-154.224.8000111.2
694T35.7Very low33.4Very low106 Ų106137.4 Ų137.465%0.6577%0.765SS**  cis-153.31584648.70000115
695N31.7Very low33.4Very low133 Ų133133.8 Ų133.871%0.71177%0.766SS**  trans19.9122.9143-53.4-17.7000119.8
696N34.4Very low33.4Very low168 Ų168136.6 Ų136.690%0.89877%0.766SS**  -162.6153.7108.6-108.5-27.2000114.4
697V29.6Very low33.2Very low131 Ų131138.2 Ų138.279%0.79477%0.766SS**  trans-86.1132.9177.7174.80000110.5
698T33.4Very low33.3Very low136 Ų136140.5 Ų140.583%0.83477%0.765SS**  trans-161.1142.3145.5-75.60000110.3
699T30Very low33.3Very low129 Ų129144.3 Ų144.379%0.79178%0.78SS**  trans-76.5137.4-178.249.30000114.1
700S32.9Very low33Very low113 Ų113142.6 Ų142.679%0.7978%0.78SS**  trans-164.8132.3139.6-167.90000111.1
701C28.4Very low33.1Very low120 Ų120146.8 Ų146.881%0.81179%0.788SS**  trans-97.4125.2-178.8-57.50000111.5
702K37.4Very low32.8Very low196 Ų196146.2 Ų146.285%0.85279%0.791SS**  trans-144.8108.4154.1-71.5-162.9177.4-175.50110.2
703N33.6Very low33.1Very low164 Ų164146.3 Ų146.388%0.87779%0.79SS**PPolyproline II helixtrans-79.4123.2170.5-69.5-12.4000109
704S34.7Very low33.2Very low109 Ų109148.6 Ų148.676%0.76280%0.796SS**PPolyproline II helixtrans-82.5141162-65.50000109.6
705P34Very low33.5Very low124 Ų124150.9 Ų150.981%0.80580%0.803SS**PPolyproline II helixtrans-61.9139.9166.4-16.430.1000109.9V707P705-V707 PolarHBondContact O-N 3.42Å
706R33.8Very low33.7Very low213 Ų213155.9 Ų155.980%0.80483%0.829SS**PPolyproline II helixtrans-74.2121.2163.9-79.8-175.6173.4175.9-3.1108.5
707V32.5Very low33.7Very low124 Ų124155.3 Ų155.375%0.75283%0.826SS**PPolyproline II helixtrans-62.5136154.2179.40000106.8P705P705-V707 PolarHBondContact O-N 3.42Å
708Y32.5Very low33.9Very low192 Ų192156.5 Ų156.575%0.75383%0.828SS**PPolyproline II helixtrans-99.1123.3165.1-87.2-91.4000107.5
709D35.2Very low33.9Very low148 Ų148157.7 Ų157.779%0.79183%0.827SS**PPolyproline II helixtrans-68.7142.8178-61-63.5000110.8E711D709-E711 PolarHBondContact O-N 3.27Å
710H30.3Very low34.2Very low186 Ų186159.4 Ų159.486%0.86183%0.829SS**  trans-81.7108174.8-71-79.5000109.9T712H710-T712 PolarHBondContact O-N 2.59Å
711E33.3Very low34.2Very low185 Ų185162.3 Ų162.386%0.86483%0.832SS**  trans-70.597.4165.2-77-168.5133.100110.2D709 I713D709-E711 PolarHBondContact O-N 3.27Å; E711-I713 PolarHBondContact O-N 2.75Å
712T31.1Very low34.6Very low124 Ų124165.1 Ų165.176%0.76183%0.833SS**  trans-71.7111165.4-59.10000109H710H710-T712 PolarHBondContact O-N 2.59Å
713I40.2Very low34.4Very low135 Ų135162.9 Ų162.969%0.69283%0.832SS**  trans-91.4106.1169.1-59.3176.3000108E711 I715E711-I713 PolarHBondContact O-N 2.75Å; I713-I715 HydrophobicContact CG2-CG1 4.09Å
714E32Very low34.5Very low185 Ų185162.8 Ų162.886%0.86483%0.828SS**  trans-67.6138.6163.3-67-176.7133.600109.5
715I41.8Very low34.5Very low154 Ų154167.3 Ų167.379%0.7983%0.834SS**  trans-126.5121.7176.3-57.8176.4000107.6I713I713-I715 HydrophobicContact CG2-CG1 4.09Å
716D37.2Very low34.5Very low237 Ų237171.2 Ų171.2100%1.26784%0.836SS**  trans-87.10179.9-15340.5000111.2

Retrieved 716 of 716 residues in 375.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).