A0A087XSJ3_POEFO Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A087XSJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low53Low249 Ų249154.5 Ų154.5100%1.22776%0.758SS**  0123.10-95.3166.7158.100108.5S3M1-S3 PolarHBondContact O-N 2.97Å
2R38.5Very low54.4Low237 Ų237151 Ų15189%0.89474%0.744SS**  trans-72.6114.8-176.6-78.4172.6167.6170.6-5.8110.6R4R2-R4 PolarHBondContact O-N 3.2Å
3S39.1Very low55.3Low111 Ų111146.9 Ų146.978%0.77673%0.726SS**  trans-80.298166.357.40000109.2M1 V5M1-S3 PolarHBondContact O-N 2.97Å; S3-V5 PolarHBondContact O-N 3.09Å
4R45.6Very low56.3Low218 Ų218140.2 Ų140.282%0.82371%0.705SS**  trans-72.2109.6168.7-77.3-178.5172-175.7-2.3108.1R2 W6R2-R4 PolarHBondContact O-N 3.2Å; R4-W6 PolarHBondContact O-N 3.28Å; R4-W6 VanDerWaalsContact O-N 3.16Å
5V47Very low57.2Low112 Ų112142.3 Ų142.368%0.67970%0.702SS**  trans-70.3104.4166-178.50000106.8S3 F7S3-V5 PolarHBondContact O-N 3.09Å; V5-F7 HydrophobicContact CG1-CD2 3.67Å; V5-F7 HydrophobicContact CG1-CE2 3.56Å; V5-F7 HydrophobicContact CG1-CZ 4.43Å; V5-F7 PolarHBondContact O-N 3.44Å
6W51.2Low57.7Low239 Ų239138.3 Ų138.391%0.90568%0.683SS**  trans-85.893.5174.5-134.844.7000106.9R4R4-W6 PolarHBondContact O-N 3.28Å; R4-W6 VanDerWaalsContact O-N 3.16Å
7F58.5Low57.9Low172 Ų172136.2 Ų136.275%0.75468%0.684SS**  trans-68.4130.7167.9-89.2-86.1000108.4V5 L9V5-F7 HydrophobicContact CG1-CD2 3.67Å; V5-F7 HydrophobicContact CG1-CE2 3.56Å; V5-F7 HydrophobicContact CG1-CZ 4.43Å; V5-F7 PolarHBondContact O-N 3.44Å; F7-L9 PolarHBondContact O-N 3.32Å
8P63.3Low58Low76 Ų76134.6 Ų134.649%0.49469%0.686SS.*  trans-75.4100.6-171.129.7-31.6000109.1T10 G11 L12P8-T10 PolarHBondContact O-N 2.87Å; P8-T10 VanDerWaalsContact O-N 3.09Å; P8-G11 PolarHBondContact O-N 3.06Å; P8-L12 PolarHBondContact O-N 3.44Å
9L62.9Low58Low140 Ų140131.7 Ų131.773%0.73367%0.672SS**Hα-helixtrans-49.9-32.5168.6-118.696.9000111.5F7 L12 L13F7-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.26Å; L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 PolarHBondContact O-N 2.85Å
10T66.4Low57.4Low107 Ų107137.3 Ų137.366%0.65668%0.684SS**Hα-helixtrans-66.5-33.8177.749.20000113.2P8 A14P8-T10 PolarHBondContact O-N 2.87Å; P8-T10 VanDerWaalsContact O-N 3.09Å; T10-A14 WeakPolarHBondContact O-CB 3.35Å; T10-A14 PolarHBondContact O-N 3.06Å
11G70.6Confident57.2Low38 Ų38137.6 Ų137.639%0.39269%0.688SS.*Hα-helixtrans-71.9-36.8175.900000112.5P8 W15P8-G11 PolarHBondContact O-N 3.06Å; G11-W15 WeakPolarHBondContact O-CB 3.48Å; G11-W15 PolarHBondContact O-N 2.99Å
12L69.6Low57.6Low113 Ų113127.8 Ų127.859%0.59265%0.65SS**Hα-helixtrans-69.5-41.5175.4-152.198.4000111.5P8 L9 W15 L16P8-L12 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 3.26Å; L12-W15 PolarHBondContact O-N 3.01Å; L12-L16 HydrophobicContact CD2-CD1 4.09Å; L12-L16 HydrophobicContact CG-CD1 4.38Å; L12-L16 WeakPolarHBondContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CD1 3.35Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.39Å
13L67.2Low58.2Low98 Ų98122.2 Ų122.251%0.51365%0.645SS.*Hα-helixtrans-64.2-42.7174.8-88.9154.3000112L9 L16 C17L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.03Å; L13-C17 WeakPolarHBondContact O-CB 3.38Å; L13-C17 PolarHBondContact O-N 3.19Å; L13-C17 PolarHBondContact O-SG 3.17Å
14A69.1Low59Low53 Ų53124 Ų12444%0.43865%0.65SS.*Hα-helixtrans-64-40174.600000112T10 C17 C18T10-A14 WeakPolarHBondContact O-CB 3.35Å; T10-A14 PolarHBondContact O-N 3.06Å; A14-C17 PolarHBondContact O-N 3.41Å; A14-C18 WeakPolarHBondContact O-CB 3.18Å; A14-C18 PolarHBondContact O-N 2.83Å; A14-C18 PolarHBondContact O-SG 3.49Å
15W68.9Low59.8Low172 Ų172120.4 Ų120.465%0.65264%0.643SS**Hα-helixtrans-65.6-40.3175.2-16964.3000112.3G11 L12 C18 L19G11-W15 WeakPolarHBondContact O-CB 3.48Å; G11-W15 PolarHBondContact O-N 2.99Å; L12-W15 PolarHBondContact O-N 3.01Å; W15-C18 PolarHBondContact O-N 2.9Å; W15-L19 WeakPolarHBondContact O-CG 3.17Å; W15-L19 PolarHBondContact O-N 2.9Å
16L66.2Low61.5Low78 Ų78115.7 Ų115.741%0.40862%0.617SS.*Hα-helixtrans-67.1-31.3173.1-77.9159.7000113.4L12 L13 L19L12-L16 HydrophobicContact CD2-CD1 4.09Å; L12-L16 HydrophobicContact CG-CD1 4.38Å; L12-L16 WeakPolarHBondContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CD1 3.35Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.03Å; L16-L19 HydrophobicContact CD2-CD1 4.3Å
17C61.3Low63.5Low103 Ų103107 Ų10770%0.69659%0.586SS**Hα-helixtrans-79.2-26.5173.4-700000113.1L13 A14L13-C17 WeakPolarHBondContact O-CB 3.38Å; L13-C17 PolarHBondContact O-N 3.19Å; L13-C17 PolarHBondContact O-SG 3.17Å; A14-C17 PolarHBondContact O-N 3.41Å
18C58.9Low65.4Low106 Ų106101.2 Ų101.272%0.71656%0.561SS**Hα-helixtrans-78.9-21.6172-71.40000112.8A14 W15 R20A14-C18 WeakPolarHBondContact O-CB 3.18Å; A14-C18 PolarHBondContact O-N 2.83Å; A14-C18 PolarHBondContact O-SG 3.49Å; W15-C18 PolarHBondContact O-N 2.9Å; C18-R20 PolarHBondContact O-N 3.39Å
19L57.3Low67Low80 Ų8097.6 Ų97.642%0.41954%0.537SS..SBendtrans-6898.8159.1-69.7167.2000106.6W15 L16 L21W15-L19 WeakPolarHBondContact O-CG 3.17Å; W15-L19 PolarHBondContact O-N 2.9Å; L16-L19 HydrophobicContact CD2-CD1 4.3Å; L19-L21 HydrophobicContact CB-CG 4.45Å; L19-L21 PolarHBondContact O-N 3.04Å
20R47.7Very low68.7Low243 Ų24390.9 Ų90.992%0.91750%0.503SS*.  trans-62.379.3165.2-69.5-170.6-177.4-171.32108.4C18 G22C18-R20 PolarHBondContact O-N 3.39Å; R20-G22 PolarHBondContact O-N 3.17Å
21L51.8Low70.3Confident144 Ų14485.8 Ų85.875%0.75447%0.471SS*.  trans-72.564.9158.5-66.7168.6000106.4L19L19-L21 HydrophobicContact CB-CG 4.45Å; L19-L21 PolarHBondContact O-N 3.04Å
22G48.8Very low71.6Confident43 Ų4384.6 Ų84.644%0.44346%0.456SS..  trans-58146156.300000107R20 V24R20-G22 PolarHBondContact O-N 3.17Å; G22-V24 PolarHBondContact O-N 3.05Å
23P50.5Low72.8Confident120 Ų12079.7 Ų79.778%0.77943%0.431SS*.  trans-51.8118.5167.722.1-29.7000106.7Q25P23-Q25 PolarHBondContact O-N 3.4Å
24V55.8Low74Confident148 Ų14875.6 Ų75.690%0.89741%0.409SS*.  trans-69.482.8168.91800000104.5G22 G26G22-V24 PolarHBondContact O-N 3.05Å; V24-G26 PolarHBondContact O-N 3.42Å
25Q63.9Low75Confident144 Ų14474.1 Ų74.167%0.67339%0.394SS*.  trans-78112.9174.8-166.7165.60.700105.5P23P23-Q25 PolarHBondContact O-N 3.4Å
26G81.5Confident75.9Confident12 Ų1266.1 Ų66.112%0.12437%0.365CS..PPolyproline II helixtrans-62.1152174.800000110.4V24 G53V24-G26 PolarHBondContact O-N 3.42Å; G26-G53 WeakPolarHBondContact CA-O 3.31Å; G26-G53 PolarHBondContact N-O 3.45Å
27E94.1Very high76.9Confident57 Ų5764.5 Ų64.527%0.26636%0.36SS..PPolyproline II helixtrans-59.6158176.3-64.496.4150.200112H54 E55 D145 M465E27-H54 PolarHBondContact N-ND1 3.47Å; E27-H54 WeakPolarHBondContact O-CA 3.41Å; E27-H54 WeakPolarHBondContact O-CB 3.14Å; E27-H54 IonicContact OE2-CE1 3.72Å; E27-H54 PolarHBondContact OE2-CE1 2.95Å; E27-H54 IonicContact OE2-ND1 3.66Å; E27-H54 PolarHBondContact OE2-ND1 2.97Å; E27-E55 PolarHBondContact O-N 3.17Å; E27-D145 WeakPolarHBondContact CA-OD2 3.44Å; E27-D145 HydrophobicContact CB-CB 4.1Å; E27-D145 WeakPolarHBondContact CB-OD2 3.31Å; E27-M465 HydrophobicContact CB-CB 4.15Å; E27-M465 HydrophobicContact CB-CE 4.1Å; E27-M465 HydrophobicContact CB-CG 4.27Å; E27-M465 HydrophobicContact CB-SD 3.37Å; E27-M465 WeakPolarHBondContact CB-SD 3.33Å; E27-M465 HydrophobicContact CG-CB 3.98Å; E27-M465 HydrophobicContact CG-SD 4.23Å
28K97.1Very high78.4Confident50 Ų5061.7 Ų61.722%0.21734%0.337CS..EExtended strand (participates in β ladder)trans-98.1124.3-176.2-60.8-168.3-177.3-173.10110.9E55 E142 F144 D145K28-E55 CarbonylContact C-O 3.56Å; K28-E55 WeakPolarHBondContact CA-O 3.34Å; K28-E55 WeakPolarHBondContact CE-OE2 3.32Å; K28-E55 HydrophobicContact CG-CB 4.17Å; K28-E55 IonicContact NZ-OE2 2.76Å; K28-E142 WeakPolarHBondContact CD-O 3.49Å; K28-E142 PolarHBondContact NZ-O 3.21Å; K28-F144 HydrophobicContact CB-CD1 3.86Å; K28-D145 PolarHBondContact N-OD2 3.41Å; K28-D145 PolarHBondContact O-N 3.25Å
29V98.4Very high80.1Confident0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-113.4118.6-177.2-175.70000109.8V31 H54 E55 V56 T57 M146 L148 M465V29-V31 HydrophobicContact CG1-CG2 3.98Å; V29-H54 HydrophobicContact CG2-CB 4.38Å; V29-E55 PolarHBondContact N-O 2.85Å; V29-V56 HydrophobicContact CB-CG1 4.34Å; V29-V56 HydrophobicContact CB-CG2 4.31Å; V29-T57 PolarHBondContact O-N 2.62Å; V29-M146 HydrophobicContact CG1-CG 4.21Å; V29-M146 HydrophobicContact CG2-CG 4.21Å; V29-M146 HydrophobicContact CG2-SD 4.45Å; V29-L148 HydrophobicContact CG1-CB 4.06Å; V29-M465 HydrophobicContact CG2-CE 4.29Å; V29-M465 HydrophobicContact CG2-SD 3.6Å
30L98.7Very high81.7Confident0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-86.4124.7168-177.260.4000108.8L59 L139 F144 M146 V147 L148 L159 F163L30-L59 HydrophobicContact CD1-CD1 4.05Å; L30-L59 HydrophobicContact CD1-CD2 4Å; L30-L59 HydrophobicContact CD1-CG 3.85Å; L30-L139 HydrophobicContact CD1-CD2 4.15Å; L30-F144 HydrophobicContact CB-CB 4.22Å; L30-F144 HydrophobicContact CB-CD1 3.72Å; L30-F144 HydrophobicContact CB-CD2 4.02Å; L30-F144 HydrophobicContact CB-CE1 4.02Å; L30-F144 HydrophobicContact CB-CE2 4.29Å; L30-F144 HydrophobicContact CB-CG 3.72Å; L30-F144 HydrophobicContact CB-CZ 4.28Å; L30-F144 HydrophobicContact CD1-CE1 4.3Å; L30-F144 HydrophobicContact CD1-CE2 4.04Å; L30-F144 HydrophobicContact CD1-CZ 3.89Å; L30-F144 HydrophobicContact CD2-CD2 4.29Å; L30-F144 HydrophobicContact CD2-CE2 4.41Å; L30-F144 HydrophobicContact CG-CE2 4.48Å; L30-M146 PolarHBondContact N-O 3.35Å; L30-M146 VanDerWaalsContact N-O 3.08Å; L30-V147 HydrophobicContact CB-CG2 4.37Å; L30-V147 HydrophobicContact CD2-CG2 4.26Å; L30-V147 CarbonylContact O-C 3.59Å; L30-V147 VanDerWaalsContact O-CA 3.27Å; L30-V147 WeakPolarHBondContact O-CA 3.46Å; L30-L148 PolarHBondContact O-N 3.09Å; L30-L159 HydrophobicContact CD2-CD1 4.45Å; L30-F163 HydrophobicContact CD2-CD2 4.06Å; L30-F163 HydrophobicContact CD2-CE2 3.92Å
31V98.6Very high83.7Confident0 Ų044.1 Ų44.10%025%0.254CS..EExtended strand (participates in β ladder)trans-111119.3178.9-174.60000109V29 P33 W39 M42 V46 V56 T57 V58 L59 L148V29-V31 HydrophobicContact CG1-CG2 3.98Å; V31-P33 WeakPolarHBondContact O-CD 3Å; V31-W39 HydrophobicContact CG1-CZ3 4.43Å; V31-M42 HydrophobicContact CG1-SD 3.76Å; V31-V46 HydrophobicContact CG1-CG2 3.91Å; V31-V46 HydrophobicContact CG2-CG2 4.01Å; V31-V56 HydrophobicContact CG2-CG1 3.42Å; V31-V56 VanDerWaalsContact CG2-CG1 3.42Å; V31-T57 PolarHBondContact N-O 3.01Å; V31-V58 HydrophobicContact CB-CB 4.39Å; V31-V58 HydrophobicContact CB-CG1 4.42Å; V31-V58 HydrophobicContact CB-CG2 4.05Å; V31-V58 HydrophobicContact CG1-CG1 4.39Å; V31-V58 HydrophobicContact CG1-CG2 4.44Å; V31-V58 HydrophobicContact CG2-CG2 4.29Å; V31-L59 PolarHBondContact O-N 2.94Å; V31-L148 WeakPolarHBondContact CA-O 3.28Å; V31-L148 HydrophobicContact CG2-CB 4.33Å; V31-L148 HydrophobicContact CG2-CD2 4.48Å
32M97.6Very high85.8Confident13 Ų1337.3 Ų37.36%0.06422%0.218CC..EExtended strand (participates in β ladder)trans-112.191.1170.2-175.859.8-165.900108.6L59 L129 L148 T149 C155 L159M32-L59 HydrophobicContact SD-CB 3.9Å; M32-L59 HydrophobicContact SD-CD1 4.04Å; M32-L129 HydrophobicContact CE-CD2 4.32Å; M32-L129 HydrophobicContact SD-CD2 4.12Å; M32-L148 PolarHBondContact N-O 2.95Å; M32-T149 WeakPolarHBondContact O-CA 3.03Å; M32-T149 VanDerWaalsContact O-CB 3.3Å; M32-T149 WeakPolarHBondContact O-CB 3.45Å; M32-T149 PolarHBondContact O-OG1 2.79Å; M32-C155 HydrophobicContact CE-CB 3.65Å; M32-C155 HydrophobicContact CG-CB 4.04Å; M32-C155 HydrophobicContact SD-CB 4.45Å; M32-L159 HydrophobicContact CB-CD1 4.2Å; M32-L159 HydrophobicContact CG-CD1 4.17Å; M32-L159 HydrophobicContact SD-CD1 4.37Å
33P95.3Very high88Confident10 Ų1037.5 Ų37.57%0.06521%0.207CC..  trans-80.9165.6-174.534.6-35.7000112.2V31 W39 M42 V58 L59 I67V31-P33 WeakPolarHBondContact O-CD 3Å; P33-W39 HydrophobicContact CB-CD2 4.5Å; P33-W39 HydrophobicContact CB-CE3 3.58Å; P33-W39 HydrophobicContact CB-CZ3 3.99Å; P33-W39 HydrophobicContact CG-CE3 4.25Å; P33-W39 HydrophobicContact CG-CZ3 4.39Å; P33-M42 HydrophobicContact CB-SD 3.84Å; P33-V58 HydrophobicContact CG-CG1 3.97Å; P33-L59 VanDerWaalsContact CD-O 3.32Å; P33-L59 WeakPolarHBondContact CD-O 3.27Å; P33-I67 HydrophobicContact CB-CD1 4.27Å; P33-I67 HydrophobicContact CG-CD1 3.55Å
34V93.6Very high90.1Very high11 Ų1133 Ų337%0.06718%0.176CC..  trans-102.6131.3158.41750000107.3H38 W39 D150 F152 L153V34-H38 HydrophobicContact CB-CB 3.85Å; V34-H38 HydrophobicContact CG1-CB 3.98Å; V34-H38 WeakPolarHBondContact O-CB 3.48Å; V34-W39 WeakPolarHBondContact O-CB 3.31Å; V34-W39 PolarHBondContact O-N 2.87Å; V34-D150 HydrophobicContact CB-CB 4.26Å; V34-D150 HydrophobicContact CG2-CB 3.81Å; V34-F152 HydrophobicContact CG1-CD1 4.02Å; V34-F152 HydrophobicContact CG2-CB 4.31Å; V34-F152 HydrophobicContact CG2-CD1 4.5Å; V34-L153 HydrophobicContact CG1-CD1 4.44Å; V34-L153 HydrophobicContact CG2-CB 4.15Å; V34-L153 HydrophobicContact CG2-CD1 4.03Å; V34-L153 HydrophobicContact CG2-CG 3.95Å
35D90Very high92Very high23 Ų2326 Ų2612%0.12313%0.133CC..THydrogen-bonded Turntrans-70.2178.2-176.9-147-33.7000112.5S64 L65 L66 I67D35-S64 WeakPolarHBondContact OD2-CA 3.36Å; D35-S64 VanDerWaalsContact OD2-CB 3.27Å; D35-S64 WeakPolarHBondContact OD2-CB 3.44Å; D35-S64 PolarHBondContact OD2-OG 2.85Å; D35-L65 PolarHBondContact OD2-N 3.21Å; D35-L66 PolarHBondContact OD1-N 3.35Å; D35-I67 HydrophobicContact CB-CD1 4.35Å
36G88.1Confident93.6Very high3 Ų319.1 Ų19.13%0.03110%0.101CC..THydrogen-bonded Turntrans73.8-141-178.700000111.9H38 W39G36-H38 PolarHBondContact O-N 3.33Å; G36-W39 PolarHBondContact O-N 3.26Å
37S87.2Confident94.3Very high44 Ų4421.9 Ų21.931%0.30811%0.11SC..Hα-helixtrans-64.5-25.4-175.457.60000113.6L40 H375S37-L40 PolarHBondContact O-N 2.71Å; S37-H375 PolarHBondContact O-CE1 3.14Å
38H92.3Very high94.4Very high44 Ų4420.4 Ų20.420%0.20410%0.103CC..Hα-helixtrans-64.7-45.4178.7-72.2-119.9000111V34 G36 L40 M42 D150V34-H38 HydrophobicContact CB-CB 3.85Å; V34-H38 HydrophobicContact CG1-CB 3.98Å; V34-H38 WeakPolarHBondContact O-CB 3.48Å; G36-H38 PolarHBondContact O-N 3.33Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 2.93Å; H38-M42 PolarHBondContact O-N 3.48Å; H38-D150 IonicContact CE1-OD2 3.88Å; H38-D150 IonicContact CG-OD2 3.89Å; H38-D150 IonicContact ND1-OD1 2.77Å; H38-D150 IonicContact ND1-OD2 2.84Å; H38-D150 PolarHBondContact ND1-OD2 2.8Å
39W94Very high94.4Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-59.6-39.1176.7172.6-123.9000113V31 P33 V34 G36 S41 M42 K43 V46 V58 L66 I67 Y73V31-W39 HydrophobicContact CG1-CZ3 4.43Å; P33-W39 HydrophobicContact CB-CD2 4.5Å; P33-W39 HydrophobicContact CB-CE3 3.58Å; P33-W39 HydrophobicContact CB-CZ3 3.99Å; P33-W39 HydrophobicContact CG-CE3 4.25Å; P33-W39 HydrophobicContact CG-CZ3 4.39Å; V34-W39 WeakPolarHBondContact O-CB 3.31Å; V34-W39 PolarHBondContact O-N 2.87Å; G36-W39 PolarHBondContact O-N 3.26Å; W39-S41 PolarHBondContact O-N 2.97Å; W39-S41 VanDerWaalsContact O-N 3.14Å; W39-M42 HydrophobicContact CE3-CB 4.27Å; W39-M42 HydrophobicContact CE3-CG 4.45Å; W39-M42 HydrophobicContact CE3-SD 4.42Å; W39-M42 HydrophobicContact CZ3-CG 4.42Å; W39-M42 HydrophobicContact CZ3-SD 4.46Å; W39-M42 PolarHBondContact O-N 3.26Å; W39-K43 HydrophobicContact CD2-CB 4.1Å; W39-K43 HydrophobicContact CE3-CB 4.41Å; W39-K43 HydrophobicContact CH2-CB 4.21Å; W39-K43 HydrophobicContact CH2-CG 4.36Å; W39-K43 HydrophobicContact CZ2-CB 3.87Å; W39-K43 HydrophobicContact CZ2-CD 4.03Å; W39-K43 HydrophobicContact CZ2-CG 3.79Å; W39-K43 HydrophobicContact CZ3-CB 4.46Å; W39-K43 VanDerWaalsContact O-CB 3.23Å; W39-K43 WeakPolarHBondContact O-CB 3.35Å; W39-K43 PolarHBondContact O-N 2.95Å; W39-V46 HydrophobicContact CH2-CB 4.46Å; W39-V46 HydrophobicContact CH2-CG1 4.19Å; W39-V46 HydrophobicContact CH2-CG2 4.32Å; W39-V46 HydrophobicContact CZ3-CG2 4.07Å; W39-V58 HydrophobicContact CH2-CG1 3.94Å; W39-V58 HydrophobicContact CH2-CG2 4.14Å; W39-V58 HydrophobicContact CZ3-CG1 4.13Å; W39-L66 PolarHBondContact NE1-O 3.5Å; W39-I67 HydrophobicContact CB-CG1 4.25Å; W39-I67 HydrophobicContact CD2-CG1 3.88Å; W39-I67 HydrophobicContact CD2-CG2 4.44Å; W39-I67 HydrophobicContact CG-CG1 3.68Å; W39-I67 HydrophobicContact CH2-CG2 4.44Å; W39-I67 HydrophobicContact CZ2-CG2 3.85Å; W39-Y73 HydrophobicContact CZ2-CE1 4.46Å; W39-Y73 HydrophobicContact CZ2-CE2 4.44Å; W39-Y73 AromaticContact CZ2-CZ 3.93Å
40L90.9Very high94.3Very high60 Ų6018.8 Ų18.831%0.31410%0.101SC..Hα-helixtrans-56.4-36.1-174.1-67.4179.1000113.6S37 H38 L66 W353S37-L40 PolarHBondContact O-N 2.71Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 2.93Å; L40-L66 HydrophobicContact CD1-CD1 4.31Å; L40-L66 HydrophobicContact CD2-CD1 4.27Å; L40-L66 HydrophobicContact CG-CD1 4.23Å; L40-W353 HydrophobicContact CD1-CH2 4.31Å; L40-W353 HydrophobicContact CD1-CZ2 4.47Å
41S89.9Confident94Very high1 Ų126.8 Ų26.81%0.00713%0.131CC..Hα-helixtrans-87.4-37.8175.1-85.20000113.5W39 K43 I44 H375W39-S41 PolarHBondContact O-N 2.97Å; W39-S41 VanDerWaalsContact O-N 3.14Å; S41-K43 PolarHBondContact O-N 3.32Å; S41-I44 WeakPolarHBondContact O-CB 3.37Å; S41-I44 PolarHBondContact O-N 2.98Å; S41-H375 WeakPolarHBondContact CB-CE1 3.41Å; S41-H375 WeakPolarHBondContact CB-NE2 3.37Å; S41-H375 PolarHBondContact OG-CD2 3.48Å; S41-H375 VanDerWaalsContact OG-CD2 3.3Å; S41-H375 PolarHBondContact OG-CE1 2.82Å; S41-H375 PolarHBondContact OG-ND1 2.56Å; S41-H375 PolarHBondContact OG-NE2 3.31Å
42M95.6Very high93.8Very high1 Ų131.5 Ų31.51%0.00515%0.149CC..Hα-helixtrans-59.5-38.2176.1-176.8-179.6-78.300110.8V31 P33 H38 W39 I44 L45 V46 L148 D150 F170V31-M42 HydrophobicContact CG1-SD 3.76Å; P33-M42 HydrophobicContact CB-SD 3.84Å; H38-M42 PolarHBondContact O-N 3.48Å; W39-M42 HydrophobicContact CE3-CB 4.27Å; W39-M42 HydrophobicContact CE3-CG 4.45Å; W39-M42 HydrophobicContact CE3-SD 4.42Å; W39-M42 HydrophobicContact CZ3-CG 4.42Å; W39-M42 HydrophobicContact CZ3-SD 4.46Å; W39-M42 PolarHBondContact O-N 3.26Å; M42-I44 PolarHBondContact O-N 3.16Å; M42-I44 VanDerWaalsContact O-N 3.12Å; M42-L45 PolarHBondContact O-N 2.9Å; M42-V46 HydrophobicContact CG-CG2 3.98Å; M42-V46 WeakPolarHBondContact O-CG2 3.24Å; M42-V46 PolarHBondContact O-N 3.36Å; M42-L148 HydrophobicContact CG-CD2 4.28Å; M42-D150 HydrophobicContact CE-CB 3.94Å; M42-F170 HydrophobicContact CB-CD1 3.93Å; M42-F170 HydrophobicContact CB-CE1 3.85Å; M42-F170 HydrophobicContact CE-CB 3.85Å; M42-F170 HydrophobicContact CE-CD1 4.03Å; M42-F170 HydrophobicContact CE-CG 4.26Å; M42-F170 HydrophobicContact CG-CD1 4.39Å
43K95.1Very high93.6Very high47 Ų4733.1 Ų33.120%0.20417%0.169CC..Hα-helixtrans-53.6-31.7175.4-173.8176.7-173.7171.10113W39 S41 K47W39-K43 HydrophobicContact CD2-CB 4.1Å; W39-K43 HydrophobicContact CE3-CB 4.41Å; W39-K43 HydrophobicContact CH2-CB 4.21Å; W39-K43 HydrophobicContact CH2-CG 4.36Å; W39-K43 HydrophobicContact CZ2-CB 3.87Å; W39-K43 HydrophobicContact CZ2-CD 4.03Å; W39-K43 HydrophobicContact CZ2-CG 3.79Å; W39-K43 HydrophobicContact CZ3-CB 4.46Å; W39-K43 VanDerWaalsContact O-CB 3.23Å; W39-K43 WeakPolarHBondContact O-CB 3.35Å; W39-K43 PolarHBondContact O-N 2.95Å; S41-K43 PolarHBondContact O-N 3.32Å; K43-K47 HydrophobicContact CG-CD 4.36Å; K43-K47 HydrophobicContact CG-CG 4.38Å; K43-K47 WeakPolarHBondContact O-CB 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.25Å; K43-K47 PolarHBondContact O-N 3.24Å
44I94.3Very high93.7Very high25 Ų2533.5 Ų33.513%0.12817%0.17CC..Hα-helixtrans-64.5-49.7177.6-56.2176.8000109.6S41 M42 E48 N278 L454S41-I44 WeakPolarHBondContact O-CB 3.37Å; S41-I44 PolarHBondContact O-N 2.98Å; M42-I44 PolarHBondContact O-N 3.16Å; M42-I44 VanDerWaalsContact O-N 3.12Å; I44-E48 WeakPolarHBondContact O-CB 3.29Å; I44-E48 PolarHBondContact O-N 3.49Å; I44-E48 VanDerWaalsContact O-N 3.08Å; I44-N278 HydrophobicContact CD1-CB 3.76Å; I44-L454 HydrophobicContact CG2-CD1 3.92Å; I44-L454 HydrophobicContact CG2-CD2 3.92Å; I44-L454 HydrophobicContact CG2-CG 4.49Å
45L96.8Very high93.8Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-65-45.4176.7177.857.6000111.8M42 K47 E48 L49 L148 F170 L254 L454 A457 V458M42-L45 PolarHBondContact O-N 2.9Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.11Å; L45-E48 PolarHBondContact O-N 2.85Å; L45-E48 VanDerWaalsContact O-N 3.14Å; L45-L49 HydrophobicContact CD1-CD1 4.12Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 4.02Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.97Å; L45-L148 HydrophobicContact CD2-CD1 3.96Å; L45-L148 HydrophobicContact CD2-CD2 3.84Å; L45-L148 HydrophobicContact CG-CD2 4.11Å; L45-F170 HydrophobicContact CD2-CD2 4.08Å; L45-F170 HydrophobicContact CD2-CE2 4.3Å; L45-L254 HydrophobicContact CD2-CD1 3.86Å; L45-L454 HydrophobicContact CB-CD1 4.42Å; L45-L454 HydrophobicContact CD1-CD1 4.32Å; L45-A457 HydrophobicContact CD1-CB 3.93Å; L45-A457 HydrophobicContact CD2-CB 4.11Å; L45-V458 HydrophobicContact CD1-CB 4.44Å; L45-V458 HydrophobicContact CD1-CG2 3.57Å
46V97.5Very high94.2Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-56-47.3177.7169.60000111.3V31 W39 M42 E48 L49 G50 V56 V58 Y73 L148V31-V46 HydrophobicContact CG1-CG2 3.91Å; V31-V46 HydrophobicContact CG2-CG2 4.01Å; W39-V46 HydrophobicContact CH2-CB 4.46Å; W39-V46 HydrophobicContact CH2-CG1 4.19Å; W39-V46 HydrophobicContact CH2-CG2 4.32Å; W39-V46 HydrophobicContact CZ3-CG2 4.07Å; M42-V46 HydrophobicContact CG-CG2 3.98Å; M42-V46 WeakPolarHBondContact O-CG2 3.24Å; M42-V46 PolarHBondContact O-N 3.36Å; V46-E48 VanDerWaalsContact C-N 3.35Å; V46-L49 PolarHBondContact O-N 3.37Å; V46-G50 PolarHBondContact O-N 3.41Å; V46-G50 VanDerWaalsContact O-N 3.09Å; V46-V56 HydrophobicContact CG1-CG1 3.79Å; V46-V58 HydrophobicContact CG1-CG2 3.89Å; V46-Y73 HydrophobicContact CG1-CD1 3.52Å; V46-Y73 HydrophobicContact CG1-CE1 4.11Å; V46-Y73 HydrophobicContact CG1-CG 3.81Å; V46-L148 HydrophobicContact CG2-CD2 4.02Å
47K95.9Very high94.6Very high71 Ų7134.4 Ų34.431%0.30917%0.172SC..Hα-helixtrans-65.5-38.7178-78.2-170.3164.8-162.30112.4K43 L45 G50 R51 S70 Y73K43-K47 HydrophobicContact CG-CD 4.36Å; K43-K47 HydrophobicContact CG-CG 4.38Å; K43-K47 WeakPolarHBondContact O-CB 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.25Å; K43-K47 PolarHBondContact O-N 3.24Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.11Å; K47-G50 PolarHBondContact O-N 2.88Å; K47-R51 WeakPolarHBondContact O-CB 3.42Å; K47-R51 PolarHBondContact O-N 3.4Å; K47-S70 WeakPolarHBondContact CE-OG 3.27Å; K47-Y73 HydrophobicContact CG-CD1 4.14Å; K47-Y73 HydrophobicContact CG-CE1 3.93Å
48E95.7Very high95.2Very high25 Ų2532.3 Ų32.312%0.11716%0.157CC..Hα-helixtrans-69-39.9179.4-176.958.2-16000112.1I44 L45 V46 R51 R52 L454 V458I44-E48 WeakPolarHBondContact O-CB 3.29Å; I44-E48 PolarHBondContact O-N 3.49Å; I44-E48 VanDerWaalsContact O-N 3.08Å; L45-E48 PolarHBondContact O-N 2.85Å; L45-E48 VanDerWaalsContact O-N 3.14Å; V46-E48 VanDerWaalsContact C-N 3.35Å; E48-R51 WeakPolarHBondContact O-CB 3.34Å; E48-R51 PolarHBondContact O-N 3.36Å; E48-R51 IonicContact OE1-CZ 3.07Å; E48-R51 IonicContact OE1-NE 3.76Å; E48-R51 PolarHBondContact OE1-NE 3.25Å; E48-R51 IonicContact OE1-NH2 2.79Å; E48-R51 PolarHBondContact OE1-NH2 3.08Å; E48-R51 IonicContact OE2-CZ 3.74Å; E48-R51 IonicContact OE2-NE 2.73Å; E48-R51 PolarHBondContact OE2-NE 3.24Å; E48-R51 IonicContact OE2-NH2 2.76Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.24Å; E48-R52 IonicContact OE1-NE 2.89Å; E48-R52 PolarHBondContact OE1-NE 3.31Å; E48-R52 IonicContact OE1-NH2 3.59Å; E48-L454 HydrophobicContact CB-CD1 3.9Å; E48-L454 HydrophobicContact CB-CD2 4.13Å; E48-L454 HydrophobicContact CB-CG 4.25Å; E48-L454 HydrophobicContact CG-CD1 4.12Å; E48-L454 HydrophobicContact CG-CD2 4.02Å; E48-L454 HydrophobicContact CG-CG 4.01Å; E48-V458 HydrophobicContact CB-CG2 4.29Å; E48-V458 HydrophobicContact CG-CG2 3.66Å
49L96.9Very high95.4Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-60.2-46172.5-70.4169.5000111.2L45 V46 R51 R52 G53 H54 V56 L148 V458L45-L49 HydrophobicContact CD1-CD1 4.12Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 4.02Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 2.97Å; V46-L49 PolarHBondContact O-N 3.37Å; L49-R51 PolarHBondContact O-N 3.45Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-R52 VanDerWaalsContact O-N 3.16Å; L49-G53 PolarHBondContact O-N 3.41Å; L49-H54 HydrophobicContact CB-CB 4.43Å; L49-H54 WeakPolarHBondContact O-CB 3.39Å; L49-H54 PolarHBondContact O-CD2 2.93Å; L49-H54 VanDerWaalsContact O-CD2 3.26Å; L49-H54 PolarHBondContact O-N 2.91Å; L49-V56 HydrophobicContact CB-CG2 3.97Å; L49-L148 HydrophobicContact CD1-CD2 4.29Å; L49-V458 HydrophobicContact CD2-CG1 4.2Å; L49-V458 HydrophobicContact CD2-CG2 4.36Å
50G95.6Very high95.5Very high17 Ų1730.7 Ų30.718%0.17515%0.151CC..Hα-helixtrans-60.8-42.1174.300000112.9V46 K47 R52 G53 S72V46-G50 PolarHBondContact O-N 3.41Å; V46-G50 VanDerWaalsContact O-N 3.09Å; K47-G50 PolarHBondContact O-N 2.88Å; G50-R52 PolarHBondContact O-N 2.86Å; G50-G53 PolarHBondContact O-N 3.32Å; G50-S72 WeakPolarHBondContact CA-O 3.43Å
51R94.2Very high95.7Very high167 Ų16728.5 Ų28.563%0.6314%0.14SC*.Hα-helixtrans-60.9-31.6175.6-166.3-166.970.376.1-2.5112.5K47 E48 L49 G53K47-R51 WeakPolarHBondContact O-CB 3.42Å; K47-R51 PolarHBondContact O-N 3.4Å; E48-R51 WeakPolarHBondContact O-CB 3.34Å; E48-R51 PolarHBondContact O-N 3.36Å; E48-R51 IonicContact OE1-CZ 3.07Å; E48-R51 IonicContact OE1-NE 3.76Å; E48-R51 PolarHBondContact OE1-NE 3.25Å; E48-R51 IonicContact OE1-NH2 2.79Å; E48-R51 PolarHBondContact OE1-NH2 3.08Å; E48-R51 IonicContact OE2-CZ 3.74Å; E48-R51 IonicContact OE2-NE 2.73Å; E48-R51 PolarHBondContact OE2-NE 3.24Å; E48-R51 IonicContact OE2-NH2 2.76Å; L49-R51 PolarHBondContact O-N 3.45Å; R51-G53 VanDerWaalsContact C-N 3.26Å
52R93.7Very high95.8Very high100 Ų10033.8 Ų33.838%0.37716%0.164SC..THydrogen-bonded Turntrans-82.91.4177.2-71.6175.3172.7-1273.5113.8E48 L49 G50 D455 E462E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.24Å; E48-R52 IonicContact OE1-NE 2.89Å; E48-R52 PolarHBondContact OE1-NE 3.31Å; E48-R52 IonicContact OE1-NH2 3.59Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-R52 VanDerWaalsContact O-N 3.16Å; G50-R52 PolarHBondContact O-N 2.86Å; R52-D455 IonicContact CZ-OD1 3.65Å; R52-D455 IonicContact NH2-OD1 2.96Å; R52-D455 PolarHBondContact NH2-OD1 2.86Å; R52-E462 IonicContact NH1-OE1 2.64Å; R52-E462 PolarHBondContact NH1-OE1 2.8Å
53G93.6Very high95.5Very high47 Ų4734 Ų3449%0.48517%0.166SC..THydrogen-bonded Turntrans97.82.917200000115G26 L49 G50 R51G26-G53 WeakPolarHBondContact CA-O 3.31Å; G26-G53 PolarHBondContact N-O 3.45Å; L49-G53 PolarHBondContact O-N 3.41Å; G50-G53 PolarHBondContact O-N 3.32Å; R51-G53 VanDerWaalsContact C-N 3.26Å
54H96.1Very high95.1Very high17 Ų1733 Ų338%0.07917%0.165CC..  trans-70.3144.9173.1-58.7-66.1000111.2E27 V29 L49 V56 E462E27-H54 PolarHBondContact N-ND1 3.47Å; E27-H54 WeakPolarHBondContact O-CA 3.41Å; E27-H54 WeakPolarHBondContact O-CB 3.14Å; E27-H54 IonicContact OE2-CE1 3.72Å; E27-H54 PolarHBondContact OE2-CE1 2.95Å; E27-H54 IonicContact OE2-ND1 3.66Å; E27-H54 PolarHBondContact OE2-ND1 2.97Å; V29-H54 HydrophobicContact CG2-CB 4.38Å; L49-H54 HydrophobicContact CB-CB 4.43Å; L49-H54 WeakPolarHBondContact O-CB 3.39Å; L49-H54 PolarHBondContact O-CD2 2.93Å; L49-H54 VanDerWaalsContact O-CD2 3.26Å; L49-H54 PolarHBondContact O-N 2.91Å; H54-V56 HydrophobicContact CB-CG2 4.24Å; H54-V56 PolarHBondContact O-N 3.23Å; H54-E462 IonicContact NE2-OE1 3.94Å
55E96.4Very high94.5Very high52 Ų5235.1 Ų35.124%0.24318%0.176CC..EExtended strand (participates in β ladder)trans-86.7102.1175-169176.5-162.400109E27 K28 V29 K74E27-E55 PolarHBondContact O-N 3.17Å; K28-E55 CarbonylContact C-O 3.56Å; K28-E55 WeakPolarHBondContact CA-O 3.34Å; K28-E55 WeakPolarHBondContact CE-OE2 3.32Å; K28-E55 HydrophobicContact CG-CB 4.17Å; K28-E55 IonicContact NZ-OE2 2.76Å; V29-E55 PolarHBondContact N-O 2.85Å; E55-K74 IonicContact OE1-NZ 3.96Å; E55-K74 PolarHBondContact OE1-NZ 3.14Å
56V97.8Very high94Very high4 Ų437.5 Ų37.52%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-102.8120.7-173.9-1700000110.4V29 V31 V46 L49 H54 V58 K74V29-V56 HydrophobicContact CB-CG1 4.34Å; V29-V56 HydrophobicContact CB-CG2 4.31Å; V31-V56 HydrophobicContact CG2-CG1 3.42Å; V31-V56 VanDerWaalsContact CG2-CG1 3.42Å; V46-V56 HydrophobicContact CG1-CG1 3.79Å; L49-V56 HydrophobicContact CB-CG2 3.97Å; H54-V56 HydrophobicContact CB-CG2 4.24Å; H54-V56 PolarHBondContact O-N 3.23Å; V56-V58 HydrophobicContact CG1-CG2 4.44Å; V56-K74 PolarHBondContact O-N 3.15Å
57T97.9Very high93.6Very high1 Ų138.2 Ų38.21%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-112.4115.2176.6-62.10000109.8V29 V31 E76 F144V29-T57 PolarHBondContact O-N 2.62Å; V31-T57 PolarHBondContact N-O 3.01Å; T57-E76 HydrophobicContact CG2-CB 4.39Å; T57-E76 HydrophobicContact CG2-CG 3.64Å; T57-F144 HydrophobicContact CG2-CZ 4.32Å
58V98.3Very high93.2Very high0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-98.2122.7179.6-173.20000110V31 P33 W39 V46 V56 V60 I67 Y73 K74 T75 E76V31-V58 HydrophobicContact CB-CB 4.39Å; V31-V58 HydrophobicContact CB-CG1 4.42Å; V31-V58 HydrophobicContact CB-CG2 4.05Å; V31-V58 HydrophobicContact CG1-CG1 4.39Å; V31-V58 HydrophobicContact CG1-CG2 4.44Å; V31-V58 HydrophobicContact CG2-CG2 4.29Å; P33-V58 HydrophobicContact CG-CG1 3.97Å; W39-V58 HydrophobicContact CH2-CG1 3.94Å; W39-V58 HydrophobicContact CH2-CG2 4.14Å; W39-V58 HydrophobicContact CZ3-CG1 4.13Å; V46-V58 HydrophobicContact CG1-CG2 3.89Å; V56-V58 HydrophobicContact CG1-CG2 4.44Å; V58-V60 HydrophobicContact CG1-CG2 4.11Å; V58-I67 HydrophobicContact CG1-CG2 4.28Å; V58-Y73 HydrophobicContact CB-CD2 4.27Å; V58-Y73 HydrophobicContact CG2-CD2 3.54Å; V58-Y73 HydrophobicContact CG2-CE2 4.11Å; V58-Y73 HydrophobicContact CG2-CG 3.94Å; V58-K74 PolarHBondContact N-O 3.04Å; V58-T75 HydrophobicContact CB-CG2 4.48Å; V58-T75 CarbonylContact O-C 3.57Å; V58-T75 VanDerWaalsContact O-CA 3.31Å; V58-T75 WeakPolarHBondContact O-CA 3.26Å; V58-E76 PolarHBondContact O-N 3.23Å
59L97.7Very high92.7Very high0 Ų042.7 Ų42.70%023%0.23CC..EExtended strand (participates in β ladder)trans-80.1131.7172.1-57.1-174.1000109.9L30 V31 M32 P33 E76 Y78 L129 L139 L159L30-L59 HydrophobicContact CD1-CD1 4.05Å; L30-L59 HydrophobicContact CD1-CD2 4Å; L30-L59 HydrophobicContact CD1-CG 3.85Å; V31-L59 PolarHBondContact O-N 2.94Å; M32-L59 HydrophobicContact SD-CB 3.9Å; M32-L59 HydrophobicContact SD-CD1 4.04Å; P33-L59 VanDerWaalsContact CD-O 3.32Å; P33-L59 WeakPolarHBondContact CD-O 3.27Å; L59-E76 HydrophobicContact CD2-CB 3.89Å; L59-Y78 HydrophobicContact CB-CE1 4.36Å; L59-L129 HydrophobicContact CD1-CD1 4.43Å; L59-L129 HydrophobicContact CD1-CD2 3.77Å; L59-L139 HydrophobicContact CD1-CD1 4.13Å; L59-L139 HydrophobicContact CD2-CD1 3.94Å; L59-L139 HydrophobicContact CD2-CD2 4.01Å; L59-L159 HydrophobicContact CD1-CD1 3.69Å
60V95.8Very high92.3Very high10 Ų1044.3 Ų44.36%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-131.8120-173.9-1710000110.2V58 I67 T75 E76 V77 Y78V58-V60 HydrophobicContact CG1-CG2 4.11Å; V60-I67 HydrophobicContact CG1-CB 4Å; V60-I67 HydrophobicContact CG1-CD1 4.5Å; V60-I67 HydrophobicContact CG1-CG2 4.07Å; V60-I67 HydrophobicContact CG2-CB 4.45Å; V60-I67 HydrophobicContact CG2-CG2 3.64Å; V60-T75 HydrophobicContact CG2-CG2 4.15Å; V60-E76 PolarHBondContact N-O 2.98Å; V60-V77 HydrophobicContact CB-CG2 4.35Å; V60-V77 CarbonylContact O-C 3.56Å; V60-V77 VanDerWaalsContact O-CA 3.23Å; V60-V77 WeakPolarHBondContact O-CA 3.49Å; V60-Y78 VanDerWaalsContact C-CE1 3.47Å; V60-Y78 VanDerWaalsContact O-CD1 3.3Å; V60-Y78 WeakPolarHBondContact O-CD1 3.46Å; V60-Y78 PolarHBondContact O-N 2.99Å
61P93.9Very high91.9Very high13 Ų1351.9 Ų51.98%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-66.5146.9170.527.5-32.6000110.2S63 S64 Y78 V80P61-S63 PolarHBondContact O-N 3.46Å; P61-S63 VanDerWaalsContact O-N 3.09Å; P61-S64 VanDerWaalsContact O-CB 3.31Å; P61-S64 WeakPolarHBondContact O-CB 3.45Å; P61-S64 PolarHBondContact O-N 3.16Å; P61-Y78 HydrophobicContact CB-CE1 4.16Å; P61-Y78 HydrophobicContact CB-CE2 4.09Å; P61-V80 HydrophobicContact CB-CG1 3.77Å
62E92.6Very high91.6Very high112 Ų11246.4 Ų46.452%0.52327%0.265SS..THydrogen-bonded Turntrans-59.1-25.7178.184177.9-136.600113.1S64 V77 Y78 K79 V80E62-S64 PolarHBondContact O-N 3.3Å; E62-V77 HydrophobicContact CB-CG1 4.23Å; E62-Y78 PolarHBondContact N-O 3.21Å; E62-K79 WeakPolarHBondContact OE2-CA 3.33Å; E62-K79 WeakPolarHBondContact OE2-CG 3.4Å; E62-V80 HydrophobicContact CG-CG2 4.02Å
63S88.7Confident91.6Very high5 Ų542.3 Ų42.34%0.03525%0.249CC..THydrogen-bonded Turntrans-87.226.6177.369.70000113.3P61 Y82 Q84 L87P61-S63 PolarHBondContact O-N 3.46Å; P61-S63 VanDerWaalsContact O-N 3.09Å; S63-Y82 WeakPolarHBondContact OG-CE2 3.19Å; S63-Q84 VanDerWaalsContact C-OE1 3.27Å; S63-Q84 VanDerWaalsContact CA-OE1 3.29Å; S63-Q84 PolarHBondContact O-OE1 3.31Å; S63-Q84 VanDerWaalsContact O-OE1 3.07Å; S63-L87 WeakPolarHBondContact O-CD2 3.47Å
64S88.7Confident91.7Very high28 Ų2845.2 Ų45.220%0.19625%0.249CC..  trans-68.7137.9-176.2-177.80000112.2D35 P61 E62 I67D35-S64 WeakPolarHBondContact OD2-CA 3.36Å; D35-S64 VanDerWaalsContact OD2-CB 3.27Å; D35-S64 WeakPolarHBondContact OD2-CB 3.44Å; D35-S64 PolarHBondContact OD2-OG 2.85Å; P61-S64 VanDerWaalsContact O-CB 3.31Å; P61-S64 WeakPolarHBondContact O-CB 3.45Å; P61-S64 PolarHBondContact O-N 3.16Å; E62-S64 PolarHBondContact O-N 3.3Å; S64-I67 WeakPolarHBondContact OG-CB 3.29Å; S64-I67 WeakPolarHBondContact OG-CG1 3.27Å; S64-I67 PolarHBondContact OG-N 3.21Å; S64-I67 VanDerWaalsContact OG-N 3.14Å
65L81.1Confident91.7Very high68 Ų6846.9 Ų46.936%0.35626%0.261SS..SBendtrans-85.5-50.2-179.8-61.9173.7000112D35 M309D35-L65 PolarHBondContact OD2-N 3.21Å; L65-M309 HydrophobicContact CD1-CE 4.43Å
66L85.7Confident91.7Very high51 Ų5146.5 Ų46.527%0.26726%0.259SS..SBendtrans-127-5.7-170.1-61.2-177.1000114D35 W39 L40D35-L66 PolarHBondContact OD1-N 3.35Å; W39-L66 PolarHBondContact NE1-O 3.5Å; L40-L66 HydrophobicContact CD1-CD1 4.31Å; L40-L66 HydrophobicContact CD2-CD1 4.27Å; L40-L66 HydrophobicContact CG-CD1 4.23Å
67I89.4Confident91.6Very high15 Ų1550.8 Ų50.88%0.07729%0.285CS..  trans-83123.2179.3-48164.1000108.7P33 D35 W39 V58 V60 S64P33-I67 HydrophobicContact CB-CD1 4.27Å; P33-I67 HydrophobicContact CG-CD1 3.55Å; D35-I67 HydrophobicContact CB-CD1 4.35Å; W39-I67 HydrophobicContact CB-CG1 4.25Å; W39-I67 HydrophobicContact CD2-CG1 3.88Å; W39-I67 HydrophobicContact CD2-CG2 4.44Å; W39-I67 HydrophobicContact CG-CG1 3.68Å; W39-I67 HydrophobicContact CH2-CG2 4.44Å; W39-I67 HydrophobicContact CZ2-CG2 3.85Å; V58-I67 HydrophobicContact CG1-CG2 4.28Å; V60-I67 HydrophobicContact CG1-CB 4Å; V60-I67 HydrophobicContact CG1-CD1 4.5Å; V60-I67 HydrophobicContact CG1-CG2 4.07Å; V60-I67 HydrophobicContact CG2-CB 4.45Å; V60-I67 HydrophobicContact CG2-CG2 3.64Å; S64-I67 WeakPolarHBondContact OG-CB 3.29Å; S64-I67 WeakPolarHBondContact OG-CG1 3.27Å; S64-I67 PolarHBondContact OG-N 3.21Å; S64-I67 VanDerWaalsContact OG-N 3.14Å
68Q86.4Confident91.5Very high132 Ų13251.3 Ų51.362%0.61729%0.286SS*.  trans-130.2154.9-177.7-65.7178-10.900109.2Y73Q68-Y73 WeakPolarHBondContact O-CE2 3.38Å; Q68-Y73 PolarHBondContact O-OH 3.28Å
69G86.2Confident91.3Very high58 Ų5858.9 Ų58.960%0.59832%0.32SS*.  trans-57.3153.8170.600000112.2
70S88.1Confident91.2Very high33 Ų3359.5 Ų59.523%0.23132%0.323CS..BIsolated β-bridgetrans-153.1152.4177.2-168.80000109.7K47 S72 Y73K47-S70 WeakPolarHBondContact CE-OG 3.27Å; S70-S72 PolarHBondContact O-N 3.28Å; S70-Y73 PolarHBondContact O-N 2.93Å
71D86.7Confident91.2Very high177 Ų17763.3 Ų63.395%0.94735%0.348SS*.THydrogen-bonded Turntrans-70.1-13.1174.5-54.8-35.8000113.3
72S88.5Confident91.1Very high51 Ų5163.3 Ų63.336%0.35735%0.347SS..THydrogen-bonded Turntrans-90.1-8.8-176.8-45.90000114G50 S70G50-S72 WeakPolarHBondContact CA-O 3.43Å; S70-S72 PolarHBondContact O-N 3.28Å
73Y94.6Very high91.1Very high14 Ų1461.6 Ų61.66%0.05534%0.344CS..BIsolated β-bridgetrans-158151179.754-101.1000110.6W39 V46 K47 V58 Q68 S70 T75W39-Y73 HydrophobicContact CZ2-CE1 4.46Å; W39-Y73 HydrophobicContact CZ2-CE2 4.44Å; W39-Y73 AromaticContact CZ2-CZ 3.93Å; V46-Y73 HydrophobicContact CG1-CD1 3.52Å; V46-Y73 HydrophobicContact CG1-CE1 4.11Å; V46-Y73 HydrophobicContact CG1-CG 3.81Å; K47-Y73 HydrophobicContact CG-CD1 4.14Å; K47-Y73 HydrophobicContact CG-CE1 3.93Å; V58-Y73 HydrophobicContact CB-CD2 4.27Å; V58-Y73 HydrophobicContact CG2-CD2 3.54Å; V58-Y73 HydrophobicContact CG2-CE2 4.11Å; V58-Y73 HydrophobicContact CG2-CG 3.94Å; Q68-Y73 WeakPolarHBondContact O-CE2 3.38Å; Q68-Y73 PolarHBondContact O-OH 3.28Å; S70-Y73 PolarHBondContact O-N 2.93Å; Y73-T75 HydrophobicContact CD2-CG2 3.93Å; Y73-T75 HydrophobicContact CE2-CG2 3.74Å
74K95.6Very high91.1Very high108 Ų10864.6 Ų64.647%0.4736%0.357SS..EExtended strand (participates in β ladder)trans-81.1151.6173.7-63.1178.1-179.7179.20110.1E55 V56 V58E55-K74 IonicContact OE1-NZ 3.96Å; E55-K74 PolarHBondContact OE1-NZ 3.14Å; V56-K74 PolarHBondContact O-N 3.15Å; V58-K74 PolarHBondContact N-O 3.04Å
75T96.1Very high91.2Very high53 Ų5366.5 Ų66.533%0.32538%0.375SS..EExtended strand (participates in β ladder)trans-123.8131.1174.254.40000110.2V58 V60 Y73V58-T75 HydrophobicContact CB-CG2 4.48Å; V58-T75 CarbonylContact O-C 3.57Å; V58-T75 VanDerWaalsContact O-CA 3.31Å; V58-T75 WeakPolarHBondContact O-CA 3.26Å; V60-T75 HydrophobicContact CG2-CG2 4.15Å; Y73-T75 HydrophobicContact CD2-CG2 3.93Å; Y73-T75 HydrophobicContact CE2-CG2 3.74Å
76E95.9Very high91.6Very high44 Ų4467.8 Ų67.821%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-112.8110.8171.5-69-69.8150.800108.5T57 V58 L59 V60 L135 K138T57-E76 HydrophobicContact CG2-CB 4.39Å; T57-E76 HydrophobicContact CG2-CG 3.64Å; V58-E76 PolarHBondContact O-N 3.23Å; L59-E76 HydrophobicContact CD2-CB 3.89Å; V60-E76 PolarHBondContact N-O 2.98Å; E76-L135 HydrophobicContact CB-CD1 4.46Å; E76-K138 IonicContact OE1-NZ 2.96Å; E76-K138 PolarHBondContact OE1-NZ 2.76Å; E76-K138 IonicContact OE2-NZ 3.53Å; E76-K138 PolarHBondContact OE2-NZ 2.82Å
77V95.3Very high91.7Very high94 Ų9465.6 Ų65.657%0.5737%0.368SS*.EExtended strand (participates in β ladder)trans-87.4131.9-178.3-177.20000109.8V60 E62V60-V77 HydrophobicContact CB-CG2 4.35Å; V60-V77 CarbonylContact O-C 3.56Å; V60-V77 VanDerWaalsContact O-CA 3.23Å; V60-V77 WeakPolarHBondContact O-CA 3.49Å; E62-V77 HydrophobicContact CB-CG1 4.23Å
78Y95.3Very high91.6Very high11 Ų1167.9 Ų67.94%0.04338%0.38CS..EExtended strand (participates in β ladder)trans-122.3147.917569.7-87.9000111.5L59 V60 P61 E62 V80 G125 L129L59-Y78 HydrophobicContact CB-CE1 4.36Å; V60-Y78 VanDerWaalsContact C-CE1 3.47Å; V60-Y78 VanDerWaalsContact O-CD1 3.3Å; V60-Y78 WeakPolarHBondContact O-CD1 3.46Å; V60-Y78 PolarHBondContact O-N 2.99Å; P61-Y78 HydrophobicContact CB-CE1 4.16Å; P61-Y78 HydrophobicContact CB-CE2 4.09Å; E62-Y78 PolarHBondContact N-O 3.21Å; Y78-V80 HydrophobicContact CD2-CG1 4.14Å; Y78-V80 HydrophobicContact CE2-CG1 3.64Å; Y78-G125 WeakPolarHBondContact CE2-O 3.48Å; Y78-L129 HydrophobicContact CD1-CD1 3.95Å; Y78-L129 HydrophobicContact CD1-CD2 4.46Å; Y78-L129 HydrophobicContact CD2-CB 3.73Å; Y78-L129 HydrophobicContact CD2-CD1 4.28Å; Y78-L129 HydrophobicContact CE1-CD1 4.45Å; Y78-L129 HydrophobicContact CE1-CD2 4.15Å; Y78-L129 HydrophobicContact CE2-CB 3.71Å; Y78-L129 HydrophobicContact CG-CB 4.18Å; Y78-L129 HydrophobicContact CG-CD1 3.85Å; Y78-L129 HydrophobicContact CG-CG 4.49Å
79K95.6Very high91.8Very high160 Ų16068.1 Ų68.170%0.69638%0.379SS*.  trans-76.5143.3-179.7-60.1-168.1173.6-178.70110.7E62E62-K79 WeakPolarHBondContact OE2-CA 3.33Å; E62-K79 WeakPolarHBondContact OE2-CG 3.4Å
80V95.4Very high91.8Very high13 Ų1366.9 Ų66.98%0.07936%0.359CS..  trans-117.1151.2173.4-67.90000110.2P61 E62 Y78 Y82P61-V80 HydrophobicContact CB-CG1 3.77Å; E62-V80 HydrophobicContact CG-CG2 4.02Å; Y78-V80 HydrophobicContact CD2-CG1 4.14Å; Y78-V80 HydrophobicContact CE2-CG1 3.64Å; V80-Y82 HydrophobicContact CB-CD1 4.18Å; V80-Y82 HydrophobicContact CB-CD2 4.5Å; V80-Y82 HydrophobicContact CB-CE1 3.78Å; V80-Y82 HydrophobicContact CB-CE2 4.13Å; V80-Y82 HydrophobicContact CG1-CE1 4.29Å; V80-Y82 HydrophobicContact CG2-CD1 4.49Å; V80-Y82 HydrophobicContact CG2-CD2 3.96Å; V80-Y82 HydrophobicContact CG2-CE1 4.25Å; V80-Y82 HydrophobicContact CG2-CE2 3.68Å; V80-Y82 HydrophobicContact CG2-CG 4.36Å; V80-Y82 PolarHBondContact O-N 3.04Å; V80-Y82 VanDerWaalsContact O-N 3.12Å
81P94.8Very high91.7Very high90 Ų9066.5 Ų66.558%0.58435%0.353SS*.SBendtrans-86.628.3-173.537.6-37.7000112.4V124 A128P81-V124 HydrophobicContact CG-CG1 3.4Å; P81-V124 VanDerWaalsContact CG-CG1 3.4Å; P81-A128 HydrophobicContact CG-CB 4.33Å
82Y93Very high91.7Very high13 Ų1362.1 Ų62.15%0.05133%0.329CS..SBendtrans-144.9153.1179.352.3-99.5000110.6S63 V80 L87 L121 Q122S63-Y82 WeakPolarHBondContact OG-CE2 3.19Å; V80-Y82 HydrophobicContact CB-CD1 4.18Å; V80-Y82 HydrophobicContact CB-CD2 4.5Å; V80-Y82 HydrophobicContact CB-CE1 3.78Å; V80-Y82 HydrophobicContact CB-CE2 4.13Å; V80-Y82 HydrophobicContact CG1-CE1 4.29Å; V80-Y82 HydrophobicContact CG2-CD1 4.49Å; V80-Y82 HydrophobicContact CG2-CD2 3.96Å; V80-Y82 HydrophobicContact CG2-CE1 4.25Å; V80-Y82 HydrophobicContact CG2-CE2 3.68Å; V80-Y82 HydrophobicContact CG2-CG 4.36Å; V80-Y82 PolarHBondContact O-N 3.04Å; V80-Y82 VanDerWaalsContact O-N 3.12Å; Y82-L87 HydrophobicContact CD2-CB 4.49Å; Y82-L87 HydrophobicContact CE2-CB 4.48Å; Y82-L121 HydrophobicContact CD1-CD1 3.53Å; Y82-L121 HydrophobicContact CD1-CG 3.95Å; Y82-L121 HydrophobicContact CD2-CD1 4.41Å; Y82-L121 HydrophobicContact CD2-CD2 4.31Å; Y82-L121 HydrophobicContact CD2-CG 4.35Å; Y82-L121 HydrophobicContact CE1-CD1 4.11Å; Y82-L121 HydrophobicContact CE1-CG 4.07Å; Y82-L121 WeakPolarHBondContact CE1-O 3.28Å; Y82-L121 HydrophobicContact CE2-CG 4.46Å; Y82-L121 HydrophobicContact CG-CD1 3.71Å; Y82-L121 HydrophobicContact CG-CD2 4.39Å; Y82-L121 HydrophobicContact CG-CG 4.1Å; Y82-Q122 PolarHBondContact OH-NE2 3.33Å; Y82-Q122 VanDerWaalsContact OH-NE2 3.09Å
83T91.6Very high91.6Very high76 Ų7662.9 Ų62.947%0.46633%0.326SS..  trans-83.7159.9-18062.70000112A85 E86 L87T83-A85 PolarHBondContact O-N 3.46Å; T83-E86 PolarHBondContact N-OE2 3.11Å; T83-E86 PolarHBondContact O-N 2.69Å; T83-E86 VanDerWaalsContact O-N 3.16Å; T83-E86 WeakPolarHBondContact OG1-CG 3.44Å; T83-E86 PolarHBondContact OG1-N 3.42Å; T83-E86 PolarHBondContact OG1-OE2 2.71Å; T83-L87 PolarHBondContact O-N 3.32Å
84Q88.5Confident91Very high67 Ų6763.7 Ų63.731%0.31333%0.332SS..Hα-helixtrans-55.7-39.2171.1-171.160.650.200111.8S63 E86 L87 D88S63-Q84 VanDerWaalsContact C-OE1 3.27Å; S63-Q84 VanDerWaalsContact CA-OE1 3.29Å; S63-Q84 PolarHBondContact O-OE1 3.31Å; S63-Q84 VanDerWaalsContact O-OE1 3.07Å; Q84-E86 VanDerWaalsContact C-N 3.32Å; Q84-E86 PolarHBondContact O-N 2.93Å; Q84-L87 WeakPolarHBondContact O-CB 3.5Å; Q84-L87 PolarHBondContact O-N 2.86Å; Q84-D88 PolarHBondContact NE2-OD1 3.18Å; Q84-D88 WeakPolarHBondContact O-CB 3.29Å; Q84-D88 PolarHBondContact O-N 3.11Å
85A90.5Very high90.4Very high69 Ų6960.9 Ų60.957%0.5732%0.318SS*.Hα-helixtrans-63.6-35.3179.200000113.1T83 K89T83-A85 PolarHBondContact O-N 3.46Å; A85-K89 VanDerWaalsContact O-CB 3.27Å; A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 PolarHBondContact O-N 2.87Å
86E90.1Very high89.7Confident94 Ų9463.1 Ų63.144%0.43933%0.325SS..Hα-helixtrans-70.9-37.8175.1-72.9167.3112.900112.3T83 Q84 K89 N90T83-E86 PolarHBondContact N-OE2 3.11Å; T83-E86 PolarHBondContact O-N 2.69Å; T83-E86 VanDerWaalsContact O-N 3.16Å; T83-E86 WeakPolarHBondContact OG1-CG 3.44Å; T83-E86 PolarHBondContact OG1-N 3.42Å; T83-E86 PolarHBondContact OG1-OE2 2.71Å; Q84-E86 VanDerWaalsContact C-N 3.32Å; Q84-E86 PolarHBondContact O-N 2.93Å; E86-K89 PolarHBondContact O-N 2.79Å; E86-N90 PolarHBondContact O-N 3.12Å; E86-N90 VanDerWaalsContact O-N 3.1Å; E86-N90 PolarHBondContact O-ND2 3.25Å
87L88.3Confident88.9Confident6 Ų662.6 Ų62.63%0.03133%0.332CS..Hα-helixtrans-63.1-49.9172.9-17858.6000110.6S63 Y82 T83 Q84 K89 N90 F91 F118 L121 Q122S63-L87 WeakPolarHBondContact O-CD2 3.47Å; Y82-L87 HydrophobicContact CD2-CB 4.49Å; Y82-L87 HydrophobicContact CE2-CB 4.48Å; T83-L87 PolarHBondContact O-N 3.32Å; Q84-L87 WeakPolarHBondContact O-CB 3.5Å; Q84-L87 PolarHBondContact O-N 2.86Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.87Å; L87-N90 PolarHBondContact O-N 2.96Å; L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 PolarHBondContact O-N 3.46Å; L87-F118 HydrophobicContact CD1-CE2 4.43Å; L87-L121 HydrophobicContact CB-CD2 4.47Å; L87-L121 HydrophobicContact CD1-CD2 4.12Å; L87-Q122 VanDerWaalsContact CD1-NE2 3.3Å
88D87.9Confident88.2Confident62 Ų6258.8 Ų58.833%0.33231%0.308SS..Hα-helixtrans-60.3-38.9178.4-66.3-13.2000111.4Q84 F91 N92Q84-D88 PolarHBondContact NE2-OD1 3.18Å; Q84-D88 WeakPolarHBondContact O-CB 3.29Å; Q84-D88 PolarHBondContact O-N 3.11Å; D88-F91 PolarHBondContact O-N 3.19Å; D88-N92 VanDerWaalsContact O-CB 3.32Å; D88-N92 WeakPolarHBondContact O-CB 3.26Å; D88-N92 PolarHBondContact O-N 3Å; D88-N92 PolarHBondContact O-ND2 3.47Å
89K89.6Confident87.5Confident137 Ų13759.3 Ų59.360%0.59631%0.31SS*.Hα-helixtrans-63.6-44.7175.7-178.6177.8-179.51790112.5A85 E86 L87 F91 N92 K93A85-K89 VanDerWaalsContact O-CB 3.27Å; A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 PolarHBondContact O-N 2.87Å; E86-K89 PolarHBondContact O-N 2.79Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.87Å; K89-F91 VanDerWaalsContact C-N 3.32Å; K89-N92 PolarHBondContact O-N 2.88Å; K89-K93 WeakPolarHBondContact O-CG 3.27Å; K89-K93 PolarHBondContact O-N 2.77Å
90N87.1Confident86.8Confident33 Ų3357.2 Ų57.218%0.17631%0.307CS..Hα-helixtrans-67.4-37.2176.2-81.6-65000111.6E86 L87 K93 L121E86-N90 PolarHBondContact O-N 3.12Å; E86-N90 VanDerWaalsContact O-N 3.1Å; E86-N90 PolarHBondContact O-ND2 3.25Å; L87-N90 PolarHBondContact O-N 2.96Å; N90-K93 WeakPolarHBondContact O-CB 3.16Å; N90-K93 PolarHBondContact O-N 2.81Å; N90-L121 HydrophobicContact CB-CD2 4.46Å
91F85.6Confident85.8Confident24 Ų2464 Ų6411%0.10534%0.338CS..Hα-helixtrans-64.7-44174.8-179.5-105000112.1L87 D88 K89 K93 L94 R95 F118 M309L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 PolarHBondContact O-N 3.46Å; D88-F91 PolarHBondContact O-N 3.19Å; K89-F91 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 3.19Å; F91-L94 HydrophobicContact CD2-CD1 4.2Å; F91-L94 VanDerWaalsContact O-CB 3.3Å; F91-L94 WeakPolarHBondContact O-CB 3.26Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-R95 HydrophobicContact CE1-CG 4.21Å; F91-R95 HydrophobicContact CZ-CG 4.1Å; F91-F118 HydrophobicContact CB-CE2 4.36Å; F91-F118 HydrophobicContact CD2-CE2 4.13Å; F91-M309 HydrophobicContact CD1-CE 4.44Å; F91-M309 HydrophobicContact CD2-CE 3.81Å; F91-M309 HydrophobicContact CE1-CE 3.85Å; F91-M309 HydrophobicContact CE2-CB 4.48Å; F91-M309 HydrophobicContact CE2-CE 3.15Å; F91-M309 HydrophobicContact CG-CE 4.44Å; F91-M309 HydrophobicContact CZ-CB 3.84Å; F91-M309 HydrophobicContact CZ-CE 3.21Å; F91-M309 HydrophobicContact CZ-CG 4.26Å; F91-M309 HydrophobicContact CZ-SD 4.39Å
92N86.1Confident84.6Confident85 Ų8565.6 Ų65.646%0.45534%0.337SS..Hα-helixtrans-61.3-31.7176.4-74.3-22.1000112.5D88 K89 L94 R95 E96D88-N92 VanDerWaalsContact O-CB 3.32Å; D88-N92 WeakPolarHBondContact O-CB 3.26Å; D88-N92 PolarHBondContact O-N 3Å; D88-N92 PolarHBondContact O-ND2 3.47Å; K89-N92 PolarHBondContact O-N 2.88Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.32Å; N92-R95 CarbonylContact O-C 3.58Å; N92-R95 WeakPolarHBondContact O-CA 3.49Å; N92-R95 WeakPolarHBondContact O-CB 3.43Å; N92-R95 PolarHBondContact O-N 3.24Å; N92-E96 PolarHBondContact O-N 3.43Å
93K86.1Confident83.7Confident67 Ų6768.4 Ų68.429%0.29136%0.357SS..Hα-helixtrans-63.4-28.5172.3-74.4177.9176.8-177.20113.9K89 N90 F91 R95 E96 R114K89-K93 WeakPolarHBondContact O-CG 3.27Å; K89-K93 PolarHBondContact O-N 2.77Å; N90-K93 WeakPolarHBondContact O-CB 3.16Å; N90-K93 PolarHBondContact O-N 2.81Å; F91-K93 PolarHBondContact O-N 3.19Å; K93-R95 PolarHBondContact O-N 3.38Å; K93-E96 WeakPolarHBondContact CG-OE1 3.46Å; K93-R114 VanDerWaalsContact O-CD 3.3Å; K93-R114 WeakPolarHBondContact O-CD 3.49Å; K93-R114 PolarHBondContact O-NE 2.78Å
94L82.9Confident82.8Confident32 Ų3266.8 Ų66.817%0.16836%0.356CS..Hα-helixtrans-70.3-22.2171.1-64169.5000111.8F91 N92 R114 F118F91-L94 HydrophobicContact CD2-CD1 4.2Å; F91-L94 VanDerWaalsContact O-CB 3.3Å; F91-L94 WeakPolarHBondContact O-CB 3.26Å; F91-L94 PolarHBondContact O-N 2.95Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.32Å; L94-R114 HydrophobicContact CD2-CB 3.87Å; L94-F118 HydrophobicContact CD1-CB 3.95Å; L94-F118 HydrophobicContact CD1-CD1 4.08Å; L94-F118 HydrophobicContact CD1-CD2 3.71Å; L94-F118 HydrophobicContact CD1-CE2 4.23Å; L94-F118 HydrophobicContact CD1-CG 3.63Å; L94-F118 HydrophobicContact CD2-CB 4.48Å; L94-F118 HydrophobicContact CG-CB 4.43Å
95R83.1Confident82.1Confident49 Ų4970.3 Ų70.319%0.18538%0.376CS..Hα-helixtrans-97.9-7.3-179.6-61.618058.6177.3-7.3114F91 N92 K93 G97 L98 M309 D312F91-R95 HydrophobicContact CE1-CG 4.21Å; F91-R95 HydrophobicContact CZ-CG 4.1Å; N92-R95 CarbonylContact O-C 3.58Å; N92-R95 WeakPolarHBondContact O-CA 3.49Å; N92-R95 WeakPolarHBondContact O-CB 3.43Å; N92-R95 PolarHBondContact O-N 3.24Å; K93-R95 PolarHBondContact O-N 3.38Å; R95-G97 PolarHBondContact O-N 2.9Å; R95-L98 HydrophobicContact CB-CD1 3.73Å; R95-L98 HydrophobicContact CB-CG 4.36Å; R95-L98 HydrophobicContact CG-CD1 3.9Å; R95-L98 VanDerWaalsContact O-CG 3.23Å; R95-L98 WeakPolarHBondContact O-CG 3.45Å; R95-L98 PolarHBondContact O-N 3.19Å; R95-M309 WeakPolarHBondContact CD-O 3.29Å; R95-M309 PolarHBondContact NE-O 3.34Å; R95-M309 PolarHBondContact NH1-O 3.24Å; R95-D312 IonicContact CZ-OD1 2.65Å; R95-D312 IonicContact NH2-OD1 2.64Å; R95-D312 PolarHBondContact NH2-OD1 3.19Å
96E81.5Confident81.4Confident99 Ų9970.6 Ų70.646%0.46338%0.378SS..THydrogen-bonded Turntrans-64.5123.6176.4-80.2172.8-173.500110.6N92 K93 R114N92-E96 PolarHBondContact O-N 3.43Å; K93-E96 WeakPolarHBondContact CG-OE1 3.46Å; E96-R114 VanDerWaalsContact CB-NH2 3.31Å; E96-R114 PolarHBondContact O-NH1 2.73Å; E96-R114 IonicContact OE2-CZ 3.96Å; E96-R114 IonicContact OE2-NH2 2.8Å; E96-R114 PolarHBondContact OE2-NH2 2.69Å; E96-R114 VanDerWaalsContact OE2-NH2 3.07Å
97G78Confident81Confident34 Ų3469.2 Ų69.235%0.35137%0.374SS..THydrogen-bonded Turntrans87.51.2177.300000115.5R95 F99 D100R95-G97 PolarHBondContact O-N 2.9Å; G97-F99 PolarHBondContact O-N 3.33Å; G97-D100 WeakPolarHBondContact CA-OD2 3.31Å; G97-D100 PolarHBondContact O-N 3.4Å; G97-D100 VanDerWaalsContact O-N 3.11Å
98L80.8Confident80.6Confident13 Ų1370.2 Ų70.27%0.06838%0.379CS..THydrogen-bonded Turntrans-59.4-19.2-176-71.4-177.9000115.2R95 V310 L392 F393 F415R95-L98 HydrophobicContact CB-CD1 3.73Å; R95-L98 HydrophobicContact CB-CG 4.36Å; R95-L98 HydrophobicContact CG-CD1 3.9Å; R95-L98 VanDerWaalsContact O-CG 3.23Å; R95-L98 WeakPolarHBondContact O-CG 3.45Å; R95-L98 PolarHBondContact O-N 3.19Å; L98-V310 HydrophobicContact CD1-CG2 4.11Å; L98-L392 HydrophobicContact CD2-CB 4.24Å; L98-L392 WeakPolarHBondContact CD2-O 3.47Å; L98-F393 HydrophobicContact CD1-CD1 3.75Å; L98-F393 HydrophobicContact CD1-CE1 4.09Å; L98-F393 HydrophobicContact CD2-CB 3.64Å; L98-F393 HydrophobicContact CD2-CD1 3.68Å; L98-F393 HydrophobicContact CD2-CG 4.01Å; L98-F393 HydrophobicContact CG-CD1 4.39Å; L98-F415 WeakPolarHBondContact O-CE1 3.48Å
99F81.9Confident80.4Confident22 Ų2272.3 Ų72.310%0.09639%0.385CS..THydrogen-bonded Turntrans-118.61.6-178.8-58.9-80.7000113G97 L306 V310 M313 P314 L392 I414G97-F99 PolarHBondContact O-N 3.33Å; F99-L306 HydrophobicContact CE1-CD1 4.27Å; F99-L306 HydrophobicContact CZ-CD1 4.31Å; F99-V310 HydrophobicContact CE2-CG1 4.46Å; F99-V310 HydrophobicContact CZ-CG1 3.93Å; F99-M313 HydrophobicContact CD1-CB 4.27Å; F99-M313 HydrophobicContact CE1-CB 3.66Å; F99-M313 HydrophobicContact CE2-CB 4.08Å; F99-M313 HydrophobicContact CZ-CB 3.56Å; F99-P314 HydrophobicContact CB-CG 4.12Å; F99-P314 HydrophobicContact CD2-CG 4.26Å; F99-P314 HydrophobicContact CG-CG 4.32Å; F99-L392 HydrophobicContact CE1-CD2 4.33Å; F99-I414 HydrophobicContact CD1-CD1 3.72Å; F99-I414 HydrophobicContact CD1-CG1 4.13Å; F99-I414 HydrophobicContact CD1-CG2 4.41Å; F99-I414 HydrophobicContact CE1-CD1 3.51Å; F99-I414 HydrophobicContact CE1-CG1 4.4Å
100D79.9Confident80.2Confident116 Ų11668.8 Ų68.862%0.6238%0.375SS*.THydrogen-bonded Turntrans-92-56.7-168.8-62.4-16.3000111.7G97G97-D100 WeakPolarHBondContact CA-OD2 3.31Å; G97-D100 PolarHBondContact O-N 3.4Å; G97-D100 VanDerWaalsContact O-N 3.11Å
101Q73.4Confident80.1Confident157 Ų15770.4 Ų70.473%0.73438%0.384SS*.  trans-149.3155.4-177.7-66.5-169.9-10.300112.8F415Q101-F415 VanDerWaalsContact C-CD1 3.5Å; Q101-F415 WeakPolarHBondContact O-CE1 3.31Å; Q101-F415 VanDerWaalsContact O-CZ 3.27Å; Q101-F415 WeakPolarHBondContact O-CZ 3.24Å
102Q71.1Confident80.2Confident123 Ų12370.4 Ų70.458%0.57539%0.386SS*.  trans-67130175.7-168.9175.4-6.700110.8G104 N413 F415Q102-G104 PolarHBondContact O-N 2.93Å; Q102-N413 PolarHBondContact OE1-ND2 2.92Å; Q102-F415 VanDerWaalsContact CA-CE2 3.46Å; Q102-F415 HydrophobicContact CB-CD2 3.76Å; Q102-F415 HydrophobicContact CB-CE2 3.99Å; Q102-F415 HydrophobicContact CG-CD2 4.37Å; Q102-F415 HydrophobicContact CG-CE2 4.27Å
103P73.1Confident80.3Confident72 Ų7270.2 Ų70.247%0.46839%0.385SS..  trans-63.3127.8-179.7-20.430.8000112D107P103-D107 WeakPolarHBondContact CA-OD2 3.32Å; P103-D107 HydrophobicContact CB-CB 4.07Å
104G73.1Confident80.4Confident42 Ų4269.8 Ų69.843%0.43338%0.381SS..  trans-89.8-178.3169.600000113Q102 A106 D107Q102-G104 PolarHBondContact O-N 2.93Å; G104-A106 VanDerWaalsContact C-N 3.32Å; G104-A106 PolarHBondContact O-N 2.81Å; G104-D107 PolarHBondContact N-OD2 3.27Å; G104-D107 WeakPolarHBondContact O-CB 2.92Å; G104-D107 PolarHBondContact O-N 3.36Å
105L73Confident80.8Confident141 Ų14170.3 Ų70.374%0.73838%0.384SS*.Hα-helixtrans-63.7-34179.3-72.6174.3000113.2D107 L108L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 3.48Å; L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 3.24Å
106A77.5Confident81.2Confident75 Ų7569.2 Ų69.262%0.6238%0.383SS*.Hα-helixtrans-66.1-31.7176.300000112.1G104 L108 F109G104-A106 VanDerWaalsContact C-N 3.32Å; G104-A106 PolarHBondContact O-N 2.81Å; A106-L108 PolarHBondContact O-N 2.97Å; A106-F109 PolarHBondContact O-N 3.16Å
107D81.3Confident81.6Confident65 Ų6569.2 Ų69.235%0.34838%0.381SS..Hα-helixtrans-68.3-18.3178.1-60.6-51.6000112.4P103 G104 L105 F109 V110 N111P103-D107 WeakPolarHBondContact CA-OD2 3.32Å; P103-D107 HydrophobicContact CB-CB 4.07Å; G104-D107 PolarHBondContact N-OD2 3.27Å; G104-D107 WeakPolarHBondContact O-CB 2.92Å; G104-D107 PolarHBondContact O-N 3.36Å; L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 3.48Å; D107-F109 VanDerWaalsContact C-N 3.31Å; D107-F109 PolarHBondContact O-N 3.49Å; D107-V110 PolarHBondContact O-N 2.91Å; D107-N111 VanDerWaalsContact O-CB 3.28Å; D107-N111 WeakPolarHBondContact O-CB 3.32Å; D107-N111 PolarHBondContact O-N 3.34Å; D107-N111 PolarHBondContact O-ND2 2.96Å; D107-N111 VanDerWaalsContact O-ND2 3.09Å
108L79.6Confident82.2Confident27 Ų2769.3 Ų69.314%0.14137%0.372CS..Hα-helixtrans-56.7-46.5171.6-174.364.5000110.9L105 A106 N111 V112 F196 L217 L221L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 3.24Å; A106-L108 PolarHBondContact O-N 2.97Å; L108-N111 PolarHBondContact O-N 3.49Å; L108-V112 VanDerWaalsContact O-CG2 3.27Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 3.47Å; L108-F196 HydrophobicContact CD1-CD2 3.89Å; L108-F196 HydrophobicContact CD1-CE2 3.98Å; L108-L217 HydrophobicContact CD2-CD2 3.84Å; L108-L217 HydrophobicContact CD2-CG 4.46Å; L108-L221 HydrophobicContact CD2-CD1 3.64Å; L108-L221 HydrophobicContact CG-CD1 3.97Å
109F84Confident82.8Confident106 Ų10668.9 Ų68.947%0.46537%0.37SS..Hα-helixtrans-67.8-38.9179.1-68.9-85.6000112A106 D107 V112 N113 L217 L221A106-F109 PolarHBondContact O-N 3.16Å; D107-F109 VanDerWaalsContact C-N 3.31Å; D107-F109 PolarHBondContact O-N 3.49Å; F109-V112 PolarHBondContact O-N 3.1Å; F109-N113 WeakPolarHBondContact O-CB 3.29Å; F109-N113 PolarHBondContact O-N 3.36Å; F109-L217 HydrophobicContact CZ-CD1 4.23Å; F109-L221 HydrophobicContact CD1-CD2 3.78Å; F109-L221 HydrophobicContact CE1-CD2 3.59Å; F109-L221 HydrophobicContact CZ-CD2 4.39Å
110V85.4Confident83.3Confident63 Ų6370.1 Ų70.138%0.38238%0.382SS..Hα-helixtrans-62.6-45.61761780000110.5D107 N113 R114D107-V110 PolarHBondContact O-N 2.91Å; V110-N113 PolarHBondContact O-N 2.79Å; V110-R114 WeakPolarHBondContact O-CG 3.42Å; V110-R114 PolarHBondContact O-N 3.27Å
111N84.2Confident83.9Confident67 Ų6766 Ų6636%0.35836%0.359SS..Hα-helixtrans-66.3-39.3178.7-71.8-31000112D107 L108 R114 L115D107-N111 VanDerWaalsContact O-CB 3.28Å; D107-N111 WeakPolarHBondContact O-CB 3.32Å; D107-N111 PolarHBondContact O-N 3.34Å; D107-N111 PolarHBondContact O-ND2 2.96Å; D107-N111 VanDerWaalsContact O-ND2 3.09Å; L108-N111 PolarHBondContact O-N 3.49Å; N111-R114 PolarHBondContact O-N 3.27Å; N111-L115 WeakPolarHBondContact O-CB 3.14Å; N111-L115 PolarHBondContact O-N 2.95Å
112V87.3Confident84.8Confident24 Ų2459.8 Ų59.815%0.14533%0.33CS..Hα-helixtrans-60.3-47.1172.1168.60000110.6L108 F109 R114 L115 V116 L221L108-V112 VanDerWaalsContact O-CG2 3.27Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 3.47Å; F109-V112 PolarHBondContact O-N 3.1Å; V112-R114 PolarHBondContact O-N 3.43Å; V112-L115 WeakPolarHBondContact O-CB 3.3Å; V112-L115 PolarHBondContact O-N 3Å; V112-V116 HydrophobicContact CG1-CG2 4.4Å; V112-V116 WeakPolarHBondContact O-CG2 3.4Å; V112-V116 PolarHBondContact O-N 3.04Å; V112-L221 HydrophobicContact CG2-CD1 4.33Å; V112-L221 HydrophobicContact CG2-CD2 4.39Å
113N88.5Confident85.9Confident81 Ų8154.3 Ų54.343%0.43331%0.306SS..Hα-helixtrans-63.9-39.2178.217954.3000112.7F109 V110 L115 V116 K117F109-N113 WeakPolarHBondContact O-CB 3.29Å; F109-N113 PolarHBondContact O-N 3.36Å; V110-N113 PolarHBondContact O-N 2.79Å; N113-L115 VanDerWaalsContact C-N 3.35Å; N113-V116 PolarHBondContact O-N 3.29Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 2.85Å
114R89.5Confident86.9Confident57 Ų5753.5 Ų53.522%0.21530%0.299CS..Hα-helixtrans-62.7-43.2173.8-73.3170.5166.8-179.9-9.2111K93 L94 E96 V110 N111 V112 K117 F118K93-R114 VanDerWaalsContact O-CD 3.3Å; K93-R114 WeakPolarHBondContact O-CD 3.49Å; K93-R114 PolarHBondContact O-NE 2.78Å; L94-R114 HydrophobicContact CD2-CB 3.87Å; E96-R114 VanDerWaalsContact CB-NH2 3.31Å; E96-R114 PolarHBondContact O-NH1 2.73Å; E96-R114 IonicContact OE2-CZ 3.96Å; E96-R114 IonicContact OE2-NH2 2.8Å; E96-R114 PolarHBondContact OE2-NH2 2.69Å; E96-R114 VanDerWaalsContact OE2-NH2 3.07Å; V110-R114 WeakPolarHBondContact O-CG 3.42Å; V110-R114 PolarHBondContact O-N 3.27Å; N111-R114 PolarHBondContact O-N 3.27Å; V112-R114 PolarHBondContact O-N 3.43Å; R114-K117 PolarHBondContact O-N 3.44Å; R114-F118 PolarHBondContact O-N 3.41Å
115L89.8Confident87.9Confident43 Ų4351.5 Ų51.523%0.22528%0.279CS..Hα-helixtrans-63.2-46.7176.6-176.261.2000111.8N111 V112 N113 K117 F118 T119 F152 P175 L225N111-L115 WeakPolarHBondContact O-CB 3.14Å; N111-L115 PolarHBondContact O-N 2.95Å; V112-L115 WeakPolarHBondContact O-CB 3.3Å; V112-L115 PolarHBondContact O-N 3Å; N113-L115 VanDerWaalsContact C-N 3.35Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.32Å; L115-F118 WeakPolarHBondContact O-CB 3.3Å; L115-F118 PolarHBondContact O-N 2.87Å; L115-F118 VanDerWaalsContact O-N 3.16Å; L115-T119 HydrophobicContact CD1-CG2 4.2Å; L115-T119 PolarHBondContact O-N 3.29Å; L115-T119 PolarHBondContact O-OG1 2.78Å; L115-F152 HydrophobicContact CD1-CZ 4.05Å; L115-P175 HydrophobicContact CD2-CG 4.35Å; L115-L225 HydrophobicContact CB-CD1 4.48Å; L115-L225 HydrophobicContact CD2-CD1 3.8Å; L115-L225 HydrophobicContact CD2-CD2 4.47Å; L115-L225 HydrophobicContact CG-CD1 4.01Å
116V91.8Very high89Confident26 Ų2645 Ų4516%0.15825%0.245CC..Hα-helixtrans-57.7-44.7176.2169.40000111.4V112 N113 F118 T119 S120 L225V112-V116 HydrophobicContact CG1-CG2 4.4Å; V112-V116 WeakPolarHBondContact O-CG2 3.4Å; V112-V116 PolarHBondContact O-N 3.04Å; N113-V116 PolarHBondContact O-N 3.29Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.34Å; V116-T119 PolarHBondContact O-N 3.3Å; V116-T119 PolarHBondContact O-OG1 3.28Å; V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 3.06Å; V116-L225 HydrophobicContact CG2-CD1 3.72Å
117K91.6Very high89.9Confident100 Ų10043.7 Ų43.744%0.43523%0.226SC..Hα-helixtrans-62.8-41.2177.3-73.6177.2-177.6-178.40112.2N113 R114 L115 L121N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 2.85Å; R114-K117 PolarHBondContact O-N 3.44Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.32Å; K117-L121 PolarHBondContact O-N 2.82Å
118F90.4Very high90.6Very high35 Ų3541.9 Ų41.915%0.15422%0.22CC..Hα-helixtrans-63.4-50176.8176.4-100.2000111.7L87 F91 L94 R114 L115 V116 L121 Q122L87-F118 HydrophobicContact CD1-CE2 4.43Å; F91-F118 HydrophobicContact CB-CE2 4.36Å; F91-F118 HydrophobicContact CD2-CE2 4.13Å; L94-F118 HydrophobicContact CD1-CB 3.95Å; L94-F118 HydrophobicContact CD1-CD1 4.08Å; L94-F118 HydrophobicContact CD1-CD2 3.71Å; L94-F118 HydrophobicContact CD1-CE2 4.23Å; L94-F118 HydrophobicContact CD1-CG 3.63Å; L94-F118 HydrophobicContact CD2-CB 4.48Å; L94-F118 HydrophobicContact CG-CB 4.43Å; R114-F118 PolarHBondContact O-N 3.41Å; L115-F118 WeakPolarHBondContact O-CB 3.3Å; L115-F118 PolarHBondContact O-N 2.87Å; L115-F118 VanDerWaalsContact O-N 3.16Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.34Å; F118-L121 PolarHBondContact O-N 3.29Å; F118-Q122 WeakPolarHBondContact O-CG 3.24Å; F118-Q122 PolarHBondContact O-N 3.43Å
119T93Very high91.5Very high4 Ų440.6 Ų40.63%0.02521%0.213CC..Hα-helixtrans-70.4-31.8-179.957.20000112.5L115 V116 Q122 S123 F152 L153 H228 F229L115-T119 HydrophobicContact CD1-CG2 4.2Å; L115-T119 PolarHBondContact O-N 3.29Å; L115-T119 PolarHBondContact O-OG1 2.78Å; V116-T119 PolarHBondContact O-N 3.3Å; V116-T119 PolarHBondContact O-OG1 3.28Å; T119-Q122 CarbonylContact O-C 3.59Å; T119-Q122 PolarHBondContact O-N 3.36Å; T119-S123 PolarHBondContact O-N 3.49Å; T119-S123 PolarHBondContact O-OG 3.45Å; T119-F152 HydrophobicContact CG2-CE1 4.14Å; T119-F152 HydrophobicContact CG2-CZ 4.09Å; T119-L153 HydrophobicContact CG2-CD2 4.28Å; T119-H228 PolarHBondContact OG1-CE1 3.42Å; T119-H228 PolarHBondContact OG1-NE2 3.36Å; T119-F229 HydrophobicContact CG2-CZ 4.33Å
120S93.1Very high92Very high49 Ų4936.3 Ų36.334%0.34320%0.195SC..Hα-helixtrans-61.9-44.7176.2179.30000112V116 Q122 S123 V124 H228V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 3.06Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 2.8Å; S120-S123 WeakPolarHBondContact O-CB 3.22Å; S120-S123 PolarHBondContact O-N 3.29Å; S120-V124 WeakPolarHBondContact O-CG2 3.35Å; S120-V124 PolarHBondContact O-N 2.88Å; S120-H228 PolarHBondContact N-NE2 3.34Å
121L91.9Very high92.6Very high28 Ų2837.4 Ų37.415%0.14720%0.199CC..Hα-helixtrans-60.6-40.5174.1-175.166.7000111.6Y82 L87 N90 K117 F118 V124 G125Y82-L121 HydrophobicContact CD1-CD1 3.53Å; Y82-L121 HydrophobicContact CD1-CG 3.95Å; Y82-L121 HydrophobicContact CD2-CD1 4.41Å; Y82-L121 HydrophobicContact CD2-CD2 4.31Å; Y82-L121 HydrophobicContact CD2-CG 4.35Å; Y82-L121 HydrophobicContact CE1-CD1 4.11Å; Y82-L121 HydrophobicContact CE1-CG 4.07Å; Y82-L121 WeakPolarHBondContact CE1-O 3.28Å; Y82-L121 HydrophobicContact CE2-CG 4.46Å; Y82-L121 HydrophobicContact CG-CD1 3.71Å; Y82-L121 HydrophobicContact CG-CD2 4.39Å; Y82-L121 HydrophobicContact CG-CG 4.1Å; L87-L121 HydrophobicContact CB-CD2 4.47Å; L87-L121 HydrophobicContact CD1-CD2 4.12Å; N90-L121 HydrophobicContact CB-CD2 4.46Å; K117-L121 PolarHBondContact O-N 2.82Å; F118-L121 PolarHBondContact O-N 3.29Å; L121-V124 WeakPolarHBondContact O-CB 3.17Å; L121-V124 PolarHBondContact O-N 3.1Å; L121-G125 PolarHBondContact O-N 3.18Å
122Q91.8Very high93.2Very high27 Ų2736.7 Ų36.713%0.12620%0.195CC..Hα-helixtrans-67.7-36.6177-62.7-67.3-84.900112.2Y82 L87 F118 T119 S120 V124 G125 C126 L153Y82-Q122 PolarHBondContact OH-NE2 3.33Å; Y82-Q122 VanDerWaalsContact OH-NE2 3.09Å; L87-Q122 VanDerWaalsContact CD1-NE2 3.3Å; F118-Q122 WeakPolarHBondContact O-CG 3.24Å; F118-Q122 PolarHBondContact O-N 3.43Å; T119-Q122 CarbonylContact O-C 3.59Å; T119-Q122 PolarHBondContact O-N 3.36Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 2.8Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 PolarHBondContact O-N 3.43Å; Q122-G125 WeakPolarHBondContact O-CA 3.22Å; Q122-G125 PolarHBondContact O-N 3.49Å; Q122-C126 PolarHBondContact O-N 3.31Å; Q122-L153 HydrophobicContact CB-CD1 3.76Å; Q122-L153 HydrophobicContact CB-CD2 3.9Å; Q122-L153 HydrophobicContact CG-CD1 4.32Å
123S93.8Very high93.6Very high9 Ų942.8 Ų42.86%0.06322%0.222CC..Hα-helixtrans-62.6-37.9172.5-70.30000112.6T119 S120 G125 C126 E127 F229T119-S123 PolarHBondContact O-N 3.49Å; T119-S123 PolarHBondContact O-OG 3.45Å; S120-S123 WeakPolarHBondContact O-CB 3.22Å; S120-S123 PolarHBondContact O-N 3.29Å; S123-G125 VanDerWaalsContact C-N 3.25Å; S123-G125 PolarHBondContact O-N 3.38Å; S123-C126 WeakPolarHBondContact O-CB 3.4Å; S123-C126 PolarHBondContact O-N 3.49Å; S123-C126 VanDerWaalsContact O-N 3.14Å; S123-E127 PolarHBondContact O-N 3.11Å; S123-F229 WeakPolarHBondContact OG-CD1 3.34Å; S123-F229 WeakPolarHBondContact OG-CE1 3.43Å
124V94.3Very high94Very high55 Ų5543.7 Ų43.733%0.33323%0.232SC..Hα-helixtrans-61.4-37.1171.2171.40000111P81 S120 L121 Q122 E127 A128P81-V124 HydrophobicContact CG-CG1 3.4Å; P81-V124 VanDerWaalsContact CG-CG1 3.4Å; S120-V124 WeakPolarHBondContact O-CG2 3.35Å; S120-V124 PolarHBondContact O-N 2.88Å; L121-V124 WeakPolarHBondContact O-CB 3.17Å; L121-V124 PolarHBondContact O-N 3.1Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 PolarHBondContact O-N 3.43Å; V124-E127 WeakPolarHBondContact O-CB 3.37Å; V124-E127 PolarHBondContact O-N 2.91Å; V124-A128 PolarHBondContact O-N 2.93Å
125G94.9Very high94.4Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-63.9-41172.600000112.7Y78 L121 Q122 S123 E127 A128 L129Y78-G125 WeakPolarHBondContact CE2-O 3.48Å; L121-G125 PolarHBondContact O-N 3.18Å; Q122-G125 WeakPolarHBondContact O-CA 3.22Å; Q122-G125 PolarHBondContact O-N 3.49Å; S123-G125 VanDerWaalsContact C-N 3.25Å; S123-G125 PolarHBondContact O-N 3.38Å; G125-E127 VanDerWaalsContact C-N 3.32Å; G125-A128 PolarHBondContact O-N 3.2Å; G125-L129 PolarHBondContact O-N 3.33Å
126C96.2Very high94.7Very high4 Ų440.7 Ų40.73%0.02722%0.22CC..Hα-helixtrans-61.6-42.4172.2178.60000111.8Q122 S123 A128 L129 L130 C155 L232Q122-C126 PolarHBondContact O-N 3.31Å; S123-C126 WeakPolarHBondContact O-CB 3.4Å; S123-C126 PolarHBondContact O-N 3.49Å; S123-C126 VanDerWaalsContact O-N 3.14Å; C126-A128 VanDerWaalsContact C-N 3.31Å; C126-A128 PolarHBondContact O-N 3.27Å; C126-L129 WeakPolarHBondContact O-CB 3.38Å; C126-L129 PolarHBondContact O-N 3.46Å; C126-L129 VanDerWaalsContact O-N 3.14Å; C126-L130 WeakPolarHBondContact O-CG 3.48Å; C126-L130 PolarHBondContact O-N 2.92Å; C126-C155 WeakPolarHBondContact CA-SG 3.48Å; C126-C155 HydrophobicContact CB-CB 3.59Å; C126-C155 WeakPolarHBondContact CB-SG 3.21Å; C126-C155 WeakPolarHBondContact SG-CA 3.43Å; C126-C155 WeakPolarHBondContact SG-CB 3.49Å; C126-C155 CovalentContact SG-SG 2.03Å; C126-C155 PolarHBondContact SG-SG 2.89Å; C126-L232 HydrophobicContact CB-CD2 4.31Å
127E95.9Very high95Very high47 Ų4742.6 Ų42.622%0.2223%0.232CC..Hα-helixtrans-58.5-44.4178.4-162.7174.7-162.900111.8S123 V124 G125 L129 L130 D131 L232 K235 R236S123-E127 PolarHBondContact O-N 3.11Å; V124-E127 WeakPolarHBondContact O-CB 3.37Å; V124-E127 PolarHBondContact O-N 2.91Å; G125-E127 VanDerWaalsContact C-N 3.32Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.22Å; E127-L130 PolarHBondContact O-N 2.88Å; E127-L130 VanDerWaalsContact O-N 3.14Å; E127-D131 PolarHBondContact O-N 3.15Å; E127-L232 HydrophobicContact CB-CD1 4.21Å; E127-L232 HydrophobicContact CG-CD1 4.13Å; E127-K235 WeakPolarHBondContact OE1-CD 3.5Å; E127-K235 WeakPolarHBondContact OE1-CE 3.39Å; E127-K235 IonicContact OE1-NZ 2.7Å; E127-K235 PolarHBondContact OE1-NZ 3.41Å; E127-R236 IonicContact OE1-NH2 2.82Å
128A96.3Very high95.3Very high27 Ų2742 Ų4222%0.22323%0.229CC..Hα-helixtrans-63.8-33.9175.800000113.7P81 V124 G125 C126 N132P81-A128 HydrophobicContact CG-CB 4.33Å; V124-A128 PolarHBondContact O-N 2.93Å; G125-A128 PolarHBondContact O-N 3.2Å; C126-A128 VanDerWaalsContact C-N 3.31Å; C126-A128 PolarHBondContact O-N 3.27Å; A128-N132 PolarHBondContact O-N 3.27Å
129L96.9Very high95.6Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-63.9-47.2170.6170.262.7000110.9M32 L59 Y78 G125 C126 E127 D131 N132 L135 M136 L159M32-L129 HydrophobicContact CE-CD2 4.32Å; M32-L129 HydrophobicContact SD-CD2 4.12Å; L59-L129 HydrophobicContact CD1-CD1 4.43Å; L59-L129 HydrophobicContact CD1-CD2 3.77Å; Y78-L129 HydrophobicContact CD1-CD1 3.95Å; Y78-L129 HydrophobicContact CD1-CD2 4.46Å; Y78-L129 HydrophobicContact CD2-CB 3.73Å; Y78-L129 HydrophobicContact CD2-CD1 4.28Å; Y78-L129 HydrophobicContact CE1-CD1 4.45Å; Y78-L129 HydrophobicContact CE1-CD2 4.15Å; Y78-L129 HydrophobicContact CE2-CB 3.71Å; Y78-L129 HydrophobicContact CG-CB 4.18Å; Y78-L129 HydrophobicContact CG-CD1 3.85Å; Y78-L129 HydrophobicContact CG-CG 4.49Å; G125-L129 PolarHBondContact O-N 3.33Å; C126-L129 WeakPolarHBondContact O-CB 3.38Å; C126-L129 PolarHBondContact O-N 3.46Å; C126-L129 VanDerWaalsContact O-N 3.14Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.28Å; L129-D131 PolarHBondContact O-N 2.9Å; L129-N132 WeakPolarHBondContact O-CB 3.49Å; L129-N132 PolarHBondContact O-N 2.88Å; L129-N132 VanDerWaalsContact O-N 3.13Å; L129-L135 HydrophobicContact CD1-CD2 3.61Å; L129-L135 HydrophobicContact CD1-CG 4.4Å; L129-M136 WeakPolarHBondContact O-CG 3.38Å; L129-L159 HydrophobicContact CD2-CD1 4.18Å
130L96.6Very high95.7Very high16 Ų1642.1 Ų42.18%0.08424%0.242CC..Hα-helixtrans-67.1-29.5-178.6-64.8174000112.6C126 E127 N132 M136 I158 L159 I162 R236C126-L130 WeakPolarHBondContact O-CG 3.48Å; C126-L130 PolarHBondContact O-N 2.92Å; E127-L130 PolarHBondContact O-N 2.88Å; E127-L130 VanDerWaalsContact O-N 3.14Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-M136 HydrophobicContact CD2-CE 4Å; L130-M136 HydrophobicContact CD2-SD 4.3Å; L130-I158 HydrophobicContact CD1-CD1 4.41Å; L130-I158 HydrophobicContact CD1-CG2 3.79Å; L130-I158 HydrophobicContact CD2-CG2 4.12Å; L130-L159 HydrophobicContact CD2-CD2 3.7Å; L130-L159 HydrophobicContact CD2-CG 4.4Å; L130-I162 HydrophobicContact CD2-CD1 3.89Å; L130-R236 HydrophobicContact CD1-CG 3.85Å
131D96.3Very high95.8Very high86 Ų8649.9 Ų49.946%0.4626%0.263SS..THydrogen-bonded Turntrans-81.1-8.7174.6-72.1-29.2000113.6E127 L129 E133 R236E127-D131 PolarHBondContact O-N 3.15Å; L129-D131 VanDerWaalsContact C-N 3.28Å; L129-D131 PolarHBondContact O-N 2.9Å; D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 2.96Å; D131-R236 IonicContact OD1-CZ 3.81Å; D131-R236 IonicContact OD1-NH1 3.4Å; D131-R236 PolarHBondContact OD1-NH1 2.83Å; D131-R236 IonicContact OD1-NH2 3.32Å; D131-R236 PolarHBondContact OD1-NH2 2.95Å; D131-R236 IonicContact OD2-NH2 2.97Å; D131-R236 PolarHBondContact OD2-NH2 3.2Å
132N97Very high96Very high52 Ų5250.5 Ų50.528%0.27827%0.265SS..  trans-78.878.9176.6-171.3-24.1000110.5A128 L129 L130 P134 L135 M136A128-N132 PolarHBondContact O-N 3.27Å; L129-N132 WeakPolarHBondContact O-CB 3.49Å; L129-N132 PolarHBondContact O-N 2.88Å; L129-N132 VanDerWaalsContact O-N 3.13Å; L130-N132 VanDerWaalsContact C-N 3.32Å; N132-P134 WeakPolarHBondContact OD1-CD 3.42Å; N132-L135 HydrophobicContact CB-CB 4.13Å; N132-L135 VanDerWaalsContact CG-CB 3.46Å; N132-L135 PolarHBondContact O-N 2.69Å; N132-L135 VanDerWaalsContact O-N 3.11Å; N132-L135 WeakPolarHBondContact OD1-CB 3.4Å; N132-L135 PolarHBondContact OD1-N 3.34Å; N132-M136 WeakPolarHBondContact O-CB 3.31Å; N132-M136 WeakPolarHBondContact O-CG 3.33Å; N132-M136 PolarHBondContact O-N 2Å
133E96.1Very high96Very high152 Ų15251.5 Ų51.571%0.7128%0.283SS*.Hα-helixtrans-52.1-44.2-176.9-64.6-178.6172.300114.2D131 L135 M136 T137D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 2.96Å; E133-L135 PolarHBondContact O-N 3.42Å; E133-M136 PolarHBondContact O-N 3.07Å; E133-T137 WeakPolarHBondContact O-CB 3.25Å; E133-T137 PolarHBondContact O-N 3.47Å; E133-T137 PolarHBondContact O-OG1 3.31Å
134P97.4Very high96.2Very high101 Ų10151.9 Ų51.966%0.65628%0.284SS*.Hα-helixtrans-60.4-44.2177.2-24.734.8000112.9N132 K138N132-P134 WeakPolarHBondContact OD1-CD 3.42Å; P134-K138 WeakPolarHBondContact O-CB 3.26Å; P134-K138 PolarHBondContact O-N 3.47Å
135L97.1Very high96.4Very high14 Ų1450.9 Ų50.97%0.07328%0.276CS..Hα-helixtrans-69.9-46.3179.2-179.557.1000111.2E76 L129 N132 E133 T137 K138 L139E76-L135 HydrophobicContact CB-CD1 4.46Å; L129-L135 HydrophobicContact CD1-CD2 3.61Å; L129-L135 HydrophobicContact CD1-CG 4.4Å; N132-L135 HydrophobicContact CB-CB 4.13Å; N132-L135 VanDerWaalsContact CG-CB 3.46Å; N132-L135 PolarHBondContact O-N 2.69Å; N132-L135 VanDerWaalsContact O-N 3.11Å; N132-L135 WeakPolarHBondContact OD1-CB 3.4Å; N132-L135 PolarHBondContact OD1-N 3.34Å; E133-L135 PolarHBondContact O-N 3.42Å; L135-T137 VanDerWaalsContact C-N 3.29Å; L135-T137 PolarHBondContact O-N 3.25Å; L135-K138 WeakPolarHBondContact O-CB 3.46Å; L135-K138 PolarHBondContact O-N 3.25Å; L135-K138 VanDerWaalsContact O-N 3.12Å; L135-L139 HydrophobicContact CD1-CD1 4.24Å; L135-L139 HydrophobicContact CD1-CD2 4.47Å; L135-L139 HydrophobicContact CD1-CG 4.08Å; L135-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 HydrophobicContact CG-CG 4.34Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 3.39Å
136M97.4Very high96.6Very high23 Ų2350.9 Ų50.911%0.11328%0.276CS..Hα-helixtrans-60.2-39.5177.4-72.6-59.5-65.600112.1L129 L130 N132 E133 L139 G140 L159 I162 F163L129-M136 WeakPolarHBondContact O-CG 3.38Å; L130-M136 HydrophobicContact CD2-CE 4Å; L130-M136 HydrophobicContact CD2-SD 4.3Å; N132-M136 WeakPolarHBondContact O-CB 3.31Å; N132-M136 WeakPolarHBondContact O-CG 3.33Å; N132-M136 PolarHBondContact O-N 2Å; E133-M136 PolarHBondContact O-N 3.07Å; M136-L139 HydrophobicContact SD-CD1 4.44Å; M136-G140 PolarHBondContact O-N 3.06Å; M136-L159 HydrophobicContact CE-CD2 3.65Å; M136-L159 HydrophobicContact SD-CD2 3.79Å; M136-I162 HydrophobicContact CE-CD1 4.43Å; M136-I162 HydrophobicContact CE-CG2 4.18Å; M136-F163 HydrophobicContact CE-CE1 3.93Å; M136-F163 HydrophobicContact CE-CE2 4.27Å; M136-F163 HydrophobicContact CE-CZ 3.49Å; M136-F163 VanDerWaalsContact CE-CZ 3.49Å; M136-F163 HydrophobicContact SD-CZ 4.15Å
137T97.1Very high96.7Very high66 Ų6650.7 Ų50.741%0.40528%0.275SS..Hα-helixtrans-66.2-41.6174.4-59.80000111.6E133 L135 R141E133-T137 WeakPolarHBondContact O-CB 3.25Å; E133-T137 PolarHBondContact O-N 3.47Å; E133-T137 PolarHBondContact O-OG1 3.31Å; L135-T137 VanDerWaalsContact C-N 3.29Å; L135-T137 PolarHBondContact O-N 3.25Å; T137-R141 VanDerWaalsContact O-CG 3.3Å; T137-R141 WeakPolarHBondContact O-CG 3.47Å; T137-R141 PolarHBondContact O-N 3.41Å
138K97Very high96.8Very high87 Ų8748.4 Ų48.438%0.37827%0.265SS..Hα-helixtrans-60.4-52.6174.8176.2-174.9167.7-172.60110.6E76 P134 L135 G140 R141 E142E76-K138 IonicContact OE1-NZ 2.96Å; E76-K138 PolarHBondContact OE1-NZ 2.76Å; E76-K138 IonicContact OE2-NZ 3.53Å; E76-K138 PolarHBondContact OE2-NZ 2.82Å; P134-K138 WeakPolarHBondContact O-CB 3.26Å; P134-K138 PolarHBondContact O-N 3.47Å; L135-K138 WeakPolarHBondContact O-CB 3.46Å; L135-K138 PolarHBondContact O-N 3.25Å; L135-K138 VanDerWaalsContact O-N 3.12Å; K138-G140 VanDerWaalsContact C-N 3.34Å; K138-G140 PolarHBondContact O-N 2.95Å; K138-R141 PolarHBondContact O-N 3.17Å; K138-R141 VanDerWaalsContact O-N 3.07Å; K138-E142 VanDerWaalsContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact CE-OE1 3.45Å; K138-E142 PolarHBondContact O-N 2.83Å; K138-E142 VanDerWaalsContact O-N 3.15Å
139L97.2Very high96.9Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-58.8-43.7-179.9-67.3174.1000111.9L30 L59 L135 M136 R141 E142 F144 F163L30-L139 HydrophobicContact CD1-CD2 4.15Å; L59-L139 HydrophobicContact CD1-CD1 4.13Å; L59-L139 HydrophobicContact CD2-CD1 3.94Å; L59-L139 HydrophobicContact CD2-CD2 4.01Å; L135-L139 HydrophobicContact CD1-CD1 4.24Å; L135-L139 HydrophobicContact CD1-CD2 4.47Å; L135-L139 HydrophobicContact CD1-CG 4.08Å; L135-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 HydrophobicContact CG-CG 4.34Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 3.39Å; M136-L139 HydrophobicContact SD-CD1 4.44Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.77Å; L139-E142 PolarHBondContact O-N 2.89Å; L139-F144 HydrophobicContact CB-CE2 4.24Å; L139-F144 HydrophobicContact CD2-CE2 3.93Å; L139-F144 HydrophobicContact CD2-CZ 4.11Å; L139-F144 WeakPolarHBondContact O-CE2 3.15Å; L139-F163 HydrophobicContact CB-CE2 4.05Å; L139-F163 HydrophobicContact CB-CZ 3.72Å
140G95.6Very high96.9Very high42 Ų4247.3 Ų47.343%0.43326%0.255SS..Hα-helixtrans-63.4-29.4176.900000113.8M136 K138M136-G140 PolarHBondContact O-N 3.06Å; K138-G140 VanDerWaalsContact C-N 3.34Å; K138-G140 PolarHBondContact O-N 2.95Å
141R95.9Very high97Very high211 Ų21146.6 Ų46.680%0.79625%0.251SS*.Hα-helixtrans-81.4-20.3176.6-72.3175-177.81773.2113.7T137 K138 L139 G143T137-R141 VanDerWaalsContact O-CG 3.3Å; T137-R141 WeakPolarHBondContact O-CG 3.47Å; T137-R141 PolarHBondContact O-N 3.41Å; K138-R141 PolarHBondContact O-N 3.17Å; K138-R141 VanDerWaalsContact O-N 3.07Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.77Å; R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.05Å
142E94.3Very high96.9Very high41 Ų4144.1 Ų44.119%0.19224%0.236CC..Hα-helixtrans-67.6-27.2-179.4-76.6-173.7-161.500112.6K28 K138 L139 F144K28-E142 WeakPolarHBondContact CD-O 3.49Å; K28-E142 PolarHBondContact NZ-O 3.21Å; K138-E142 VanDerWaalsContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact CE-OE1 3.45Å; K138-E142 PolarHBondContact O-N 2.83Å; K138-E142 VanDerWaalsContact O-N 3.15Å; L139-E142 PolarHBondContact O-N 2.89Å; E142-F144 HydrophobicContact CB-CD2 4.3Å; E142-F144 HydrophobicContact CB-CE2 3.76Å; E142-F144 HydrophobicContact CB-CZ 3.96Å; E142-F144 WeakPolarHBondContact OE2-CZ 2.96Å
143G93.4Very high96.9Very high49 Ų4942.5 Ų42.551%0.50523%0.228SC..  trans72.161.8175.800000112.9R141R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.05Å
144F97.9Very high96.8Very high16 Ų1635.2 Ų35.27%0.0719%0.194CC..  trans-69.4149.7177.9-64.6-77.8000112.7K28 L30 T57 L139 E142 I165K28-F144 HydrophobicContact CB-CD1 3.86Å; L30-F144 HydrophobicContact CB-CB 4.22Å; L30-F144 HydrophobicContact CB-CD1 3.72Å; L30-F144 HydrophobicContact CB-CD2 4.02Å; L30-F144 HydrophobicContact CB-CE1 4.02Å; L30-F144 HydrophobicContact CB-CE2 4.29Å; L30-F144 HydrophobicContact CB-CG 3.72Å; L30-F144 HydrophobicContact CB-CZ 4.28Å; L30-F144 HydrophobicContact CD1-CE1 4.3Å; L30-F144 HydrophobicContact CD1-CE2 4.04Å; L30-F144 HydrophobicContact CD1-CZ 3.89Å; L30-F144 HydrophobicContact CD2-CD2 4.29Å; L30-F144 HydrophobicContact CD2-CE2 4.41Å; L30-F144 HydrophobicContact CG-CE2 4.48Å; T57-F144 HydrophobicContact CG2-CZ 4.32Å; L139-F144 HydrophobicContact CB-CE2 4.24Å; L139-F144 HydrophobicContact CD2-CE2 3.93Å; L139-F144 HydrophobicContact CD2-CZ 4.11Å; L139-F144 WeakPolarHBondContact O-CE2 3.15Å; E142-F144 HydrophobicContact CB-CD2 4.3Å; E142-F144 HydrophobicContact CB-CE2 3.76Å; E142-F144 HydrophobicContact CB-CZ 3.96Å; E142-F144 WeakPolarHBondContact OE2-CZ 2.96Å; F144-I165 HydrophobicContact CB-CD1 3.84Å; F144-I165 VanDerWaalsContact O-CG2 3.28Å; F144-I165 WeakPolarHBondContact O-CG2 3.5Å
145D98.1Very high96.8Very high34 Ų3430.5 Ų30.518%0.18216%0.163CC..SBendtrans-95.1-23.3-179.7-68.2-72.4000113.1E27 K28 P166 M465 K468E27-D145 WeakPolarHBondContact CA-OD2 3.44Å; E27-D145 HydrophobicContact CB-CB 4.1Å; E27-D145 WeakPolarHBondContact CB-OD2 3.31Å; K28-D145 PolarHBondContact N-OD2 3.41Å; K28-D145 PolarHBondContact O-N 3.25Å; D145-P166 WeakPolarHBondContact O-CD 3.44Å; D145-P166 WeakPolarHBondContact O-CG 3.21Å; D145-M465 HydrophobicContact CB-CB 4.23Å; D145-M465 HydrophobicContact CB-CG 4Å; D145-M465 HydrophobicContact CB-SD 4.33Å; D145-K468 IonicContact OD1-NZ 3.56Å; D145-K468 PolarHBondContact OD1-NZ 3.49Å
146M98.3Very high96.8Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-160.2161176.463.2171.1-76.800111.8V29 L30 L148 P166 V168 V464 M465V29-M146 HydrophobicContact CG1-CG 4.21Å; V29-M146 HydrophobicContact CG2-CG 4.21Å; V29-M146 HydrophobicContact CG2-SD 4.45Å; L30-M146 PolarHBondContact N-O 3.35Å; L30-M146 VanDerWaalsContact N-O 3.08Å; M146-L148 HydrophobicContact CE-CB 4.03Å; M146-P166 WeakPolarHBondContact CA-O 3.46Å; M146-P166 HydrophobicContact CB-CG 4.31Å; M146-V168 HydrophobicContact CE-CB 3.43Å; M146-V168 VanDerWaalsContact CE-CB 3.43Å; M146-V168 HydrophobicContact CE-CG1 4.3Å; M146-V168 HydrophobicContact CE-CG2 3.3Å; M146-V168 HydrophobicContact SD-CG2 4.28Å; M146-V464 HydrophobicContact CB-CG1 4.32Å; M146-M465 HydrophobicContact CB-CG 4.06Å; M146-M465 HydrophobicContact CG-CG 3.51Å; M146-M465 HydrophobicContact CG-SD 3.76Å; M146-M465 HydrophobicContact SD-CE 4.3Å; M146-M465 HydrophobicContact SD-CG 3.42Å; M146-M465 WeakPolarHBondContact SD-CG 3.45Å; M146-M465 HydrophobicContact SD-SD 3.7Å
147V98.8Very high96.9Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-104.2124.6163.9-176.90000109.7L30 T149 A160 I165 P166 A167 V168L30-V147 HydrophobicContact CB-CG2 4.37Å; L30-V147 HydrophobicContact CD2-CG2 4.26Å; L30-V147 CarbonylContact O-C 3.59Å; L30-V147 VanDerWaalsContact O-CA 3.27Å; L30-V147 WeakPolarHBondContact O-CA 3.46Å; V147-T149 HydrophobicContact CG1-CG2 4.12Å; V147-A160 HydrophobicContact CB-CB 4.18Å; V147-A160 HydrophobicContact CG2-CB 3.87Å; V147-I165 HydrophobicContact CG2-CD1 3.41Å; V147-I165 VanDerWaalsContact CG2-CD1 3.41Å; V147-I165 HydrophobicContact CG2-CG1 3.79Å; V147-P166 PolarHBondContact N-O 3.24Å; V147-A167 WeakPolarHBondContact O-CA 3.45Å; V147-V168 PolarHBondContact O-N 3Å
148L98.8Very high96.9Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-95.9118.3164.8179.164.1000108.8V29 L30 V31 M32 M42 L45 V46 L49 M146 V168 F170V29-L148 HydrophobicContact CG1-CB 4.06Å; L30-L148 PolarHBondContact O-N 3.09Å; V31-L148 WeakPolarHBondContact CA-O 3.28Å; V31-L148 HydrophobicContact CG2-CB 4.33Å; V31-L148 HydrophobicContact CG2-CD2 4.48Å; M32-L148 PolarHBondContact N-O 2.95Å; M42-L148 HydrophobicContact CG-CD2 4.28Å; L45-L148 HydrophobicContact CD2-CD1 3.96Å; L45-L148 HydrophobicContact CD2-CD2 3.84Å; L45-L148 HydrophobicContact CG-CD2 4.11Å; V46-L148 HydrophobicContact CG2-CD2 4.02Å; L49-L148 HydrophobicContact CD1-CD2 4.29Å; M146-L148 HydrophobicContact CE-CB 4.03Å; L148-V168 HydrophobicContact CD1-CB 4.33Å; L148-V168 HydrophobicContact CD1-CG1 4.06Å; L148-F170 HydrophobicContact CD1-CB 4.13Å
149T98.6Very high97Very high2 Ų221.6 Ų21.61%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-150.2158-175.7-169.90000113M32 V147 G156 V168 Y169 F170M32-T149 WeakPolarHBondContact O-CA 3.03Å; M32-T149 VanDerWaalsContact O-CB 3.3Å; M32-T149 WeakPolarHBondContact O-CB 3.45Å; M32-T149 PolarHBondContact O-OG1 2.79Å; V147-T149 HydrophobicContact CG1-CG2 4.12Å; T149-G156 WeakPolarHBondContact OG1-CA 3.32Å; T149-V168 PolarHBondContact N-O 2.81Å; T149-Y169 HydrophobicContact CG2-CD1 3.61Å; T149-Y169 HydrophobicContact CG2-CE1 3.59Å; T149-Y169 CarbonylContact O-C 3.52Å; T149-Y169 VanDerWaalsContact O-CA 3.29Å; T149-Y169 WeakPolarHBondContact O-CA 3.15Å; T149-F170 PolarHBondContact O-N 3.26Å
150D97.3Very high97Very high2 Ų222 Ų221%0.01112%0.121CC..  trans-98.4114170-172-35.7000108.2V34 H38 M42 F152 L153 F170V34-D150 HydrophobicContact CB-CB 4.26Å; V34-D150 HydrophobicContact CG2-CB 3.81Å; H38-D150 IonicContact CE1-OD2 3.88Å; H38-D150 IonicContact CG-OD2 3.89Å; H38-D150 IonicContact ND1-OD1 2.77Å; H38-D150 IonicContact ND1-OD2 2.84Å; H38-D150 PolarHBondContact ND1-OD2 2.8Å; M42-D150 HydrophobicContact CE-CB 3.94Å; D150-F152 PolarHBondContact O-N 3.33Å; D150-F152 WeakPolarHBondContact OD1-CB 3.39Å; D150-F152 PolarHBondContact OD1-N 2.91Å; D150-L153 PolarHBondContact O-N 2.81Å; D150-F170 WeakPolarHBondContact CA-O 3.46Å; D150-F170 VanDerWaalsContact CB-O 3.27Å; D150-F170 WeakPolarHBondContact CB-O 3.26Å
151P96.9Very high97.1Very high0 Ų024.1 Ų24.10%012%0.116CC..THydrogen-bonded Turntrans-72.712.7-177.433.9-37.6000113.2L153 Y169 L171 L174 Y243 I247 W253P151-L153 PolarHBondContact O-N 2.93Å; P151-Y169 HydrophobicContact CB-CD1 3.73Å; P151-Y169 HydrophobicContact CB-CE1 3.93Å; P151-Y169 HydrophobicContact CB-CG 4.17Å; P151-Y169 HydrophobicContact CG-CD1 3.78Å; P151-Y169 HydrophobicContact CG-CE1 4.46Å; P151-Y169 HydrophobicContact CG-CG 3.82Å; P151-L171 HydrophobicContact CG-CB 4.38Å; P151-L171 HydrophobicContact CG-CD1 3.85Å; P151-L174 HydrophobicContact CB-CD1 4.41Å; P151-L174 HydrophobicContact CG-CD1 4.31Å; P151-L174 HydrophobicContact CG-CD2 4.48Å; P151-Y243 PolarHBondContact O-OH 2.97Å; P151-I247 HydrophobicContact CB-CG2 4.36Å; P151-W253 HydrophobicContact CG-CZ3 3.92Å
152F95.8Very high97.1Very high34 Ų3417.5 Ų17.515%0.14910%0.096CC..THydrogen-bonded Turntrans-60-30.3164.9-178.1-102.2000112.1V34 L115 T119 D150 L174V34-F152 HydrophobicContact CG1-CD1 4.02Å; V34-F152 HydrophobicContact CG2-CB 4.31Å; V34-F152 HydrophobicContact CG2-CD1 4.5Å; L115-F152 HydrophobicContact CD1-CZ 4.05Å; T119-F152 HydrophobicContact CG2-CE1 4.14Å; T119-F152 HydrophobicContact CG2-CZ 4.09Å; D150-F152 PolarHBondContact O-N 3.33Å; D150-F152 WeakPolarHBondContact OD1-CB 3.39Å; D150-F152 PolarHBondContact OD1-N 2.91Å; F152-L174 HydrophobicContact CB-CD2 4.22Å
153L95.4Very high97.2Very high18 Ų1817.6 Ų17.69%0.09410%0.096CC..SBendtrans-117.8148.9169.1-65179.4000110.7V34 T119 Q122 D150 P151 C155 F229 Y243V34-L153 HydrophobicContact CG1-CD1 4.44Å; V34-L153 HydrophobicContact CG2-CB 4.15Å; V34-L153 HydrophobicContact CG2-CD1 4.03Å; V34-L153 HydrophobicContact CG2-CG 3.95Å; T119-L153 HydrophobicContact CG2-CD2 4.28Å; Q122-L153 HydrophobicContact CB-CD1 3.76Å; Q122-L153 HydrophobicContact CB-CD2 3.9Å; Q122-L153 HydrophobicContact CG-CD1 4.32Å; D150-L153 PolarHBondContact O-N 2.81Å; P151-L153 PolarHBondContact O-N 2.93Å; L153-C155 VanDerWaalsContact C-N 3.28Å; L153-C155 PolarHBondContact O-N 2.79Å; L153-F229 HydrophobicContact CD2-CE1 4.49Å; L153-F229 HydrophobicContact CD2-CZ 4.11Å; L153-Y243 PolarHBondContact O-OH 2.89Å
154P95.7Very high97.4Very high0 Ų020.5 Ų20.50%011%0.108CC..SBendtrans-75-15.4-170.629.9-37.8000114.7G156 S157 I158 F229 L232 Y243P154-G156 PolarHBondContact O-N 3.2Å; P154-S157 WeakPolarHBondContact O-CB 3.09Å; P154-S157 PolarHBondContact O-N 3.31Å; P154-I158 HydrophobicContact CB-CD1 4.1Å; P154-I158 WeakPolarHBondContact O-CG1 3.48Å; P154-I158 PolarHBondContact O-N 3.46Å; P154-F229 HydrophobicContact CB-CB 4.4Å; P154-F229 HydrophobicContact CB-CG 4.28Å; P154-F229 HydrophobicContact CG-CB 4.37Å; P154-F229 HydrophobicContact CG-CD1 3.72Å; P154-F229 HydrophobicContact CG-CD2 4.41Å; P154-F229 HydrophobicContact CG-CE1 4.07Å; P154-F229 HydrophobicContact CG-CG 3.94Å; P154-L232 HydrophobicContact CG-CD2 3.89Å; P154-Y243 VanDerWaalsContact CA-CE2 3.42Å; P154-Y243 HydrophobicContact CB-CD2 3.76Å; P154-Y243 HydrophobicContact CB-CE2 3.37Å
155C96.9Very high97.3Very high2 Ų221 Ų211%0.01411%0.111CC..Hα-helixtrans-61.2-47.3-162.9-146.40000114.3M32 C126 L153 S157 I158 L159M32-C155 HydrophobicContact CE-CB 3.65Å; M32-C155 HydrophobicContact CG-CB 4.04Å; M32-C155 HydrophobicContact SD-CB 4.45Å; C126-C155 WeakPolarHBondContact CA-SG 3.48Å; C126-C155 HydrophobicContact CB-CB 3.59Å; C126-C155 WeakPolarHBondContact CB-SG 3.21Å; C126-C155 WeakPolarHBondContact SG-CA 3.43Å; C126-C155 WeakPolarHBondContact SG-CB 3.49Å; C126-C155 CovalentContact SG-SG 2.03Å; C126-C155 PolarHBondContact SG-SG 2.89Å; L153-C155 VanDerWaalsContact C-N 3.28Å; L153-C155 PolarHBondContact O-N 2.79Å; C155-S157 VanDerWaalsContact C-N 3.29Å; C155-S157 PolarHBondContact O-N 2.94Å; C155-I158 PolarHBondContact O-N 2.99Å; C155-L159 WeakPolarHBondContact O-CG 3.36Å; C155-L159 PolarHBondContact O-N 3.09Å
156G97.7Very high97.4Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-64.5-36-17900000112.5T149 P154 L159 A160T149-G156 WeakPolarHBondContact OG1-CA 3.32Å; P154-G156 PolarHBondContact O-N 3.2Å; G156-L159 PolarHBondContact O-N 3.36Å; G156-A160 WeakPolarHBondContact O-CB 3.48Å; G156-A160 PolarHBondContact O-N 3Å
157S97.8Very high97.4Very high2 Ų220.8 Ų20.81%0.01411%0.112CC..Hα-helixtrans-66-39.8175-51.90000111.9P154 C155 A160 R161 Y169P154-S157 WeakPolarHBondContact O-CB 3.09Å; P154-S157 PolarHBondContact O-N 3.31Å; C155-S157 VanDerWaalsContact C-N 3.29Å; C155-S157 PolarHBondContact O-N 2.94Å; S157-A160 PolarHBondContact O-N 2.85Å; S157-R161 PolarHBondContact O-N 3.41Å; S157-Y169 WeakPolarHBondContact CB-OH 3.47Å; S157-Y169 VanDerWaalsContact OG-CE1 3.22Å; S157-Y169 WeakPolarHBondContact OG-CE1 3.34Å; S157-Y169 PolarHBondContact OG-OH 3.35Å
158I98.1Very high97.4Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-65.4-44.8174.9-65.8168.4000110.4L130 P154 C155 A160 R161 I162 L232 V233 R236 I237 L246L130-I158 HydrophobicContact CD1-CD1 4.41Å; L130-I158 HydrophobicContact CD1-CG2 3.79Å; L130-I158 HydrophobicContact CD2-CG2 4.12Å; P154-I158 HydrophobicContact CB-CD1 4.1Å; P154-I158 WeakPolarHBondContact O-CG1 3.48Å; P154-I158 PolarHBondContact O-N 3.46Å; C155-I158 PolarHBondContact O-N 2.99Å; I158-A160 VanDerWaalsContact C-N 3.33Å; I158-A160 PolarHBondContact O-N 3.47Å; I158-R161 PolarHBondContact O-N 2.88Å; I158-I162 HydrophobicContact CG2-CD1 3.66Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 WeakPolarHBondContact O-CG1 3.25Å; I158-I162 PolarHBondContact O-N 3.41Å; I158-L232 HydrophobicContact CD1-CD2 3.91Å; I158-L232 HydrophobicContact CD1-CG 3.84Å; I158-V233 HydrophobicContact CD1-CG2 4.2Å; I158-V233 HydrophobicContact CG1-CG2 4.25Å; I158-R236 HydrophobicContact CG2-CB 4.18Å; I158-I237 HydrophobicContact CG1-CD1 4.45Å; I158-L246 HydrophobicContact CG1-CD2 3.69Å
159L98.1Very high97.4Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-59.6-43.5176.4-69.4172000111.9L30 M32 L59 L129 L130 M136 C155 G156 R161 I162 F163L30-L159 HydrophobicContact CD2-CD1 4.45Å; M32-L159 HydrophobicContact CB-CD1 4.2Å; M32-L159 HydrophobicContact CG-CD1 4.17Å; M32-L159 HydrophobicContact SD-CD1 4.37Å; L59-L159 HydrophobicContact CD1-CD1 3.69Å; L129-L159 HydrophobicContact CD2-CD1 4.18Å; L130-L159 HydrophobicContact CD2-CD2 3.7Å; L130-L159 HydrophobicContact CD2-CG 4.4Å; M136-L159 HydrophobicContact CE-CD2 3.65Å; M136-L159 HydrophobicContact SD-CD2 3.79Å; C155-L159 WeakPolarHBondContact O-CG 3.36Å; C155-L159 PolarHBondContact O-N 3.09Å; G156-L159 PolarHBondContact O-N 3.36Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.01Å; L159-I162 PolarHBondContact O-N 3.09Å; L159-F163 HydrophobicContact CB-CD2 4.41Å; L159-F163 HydrophobicContact CB-CE2 4.4Å; L159-F163 HydrophobicContact CD2-CE2 3.92Å; L159-F163 HydrophobicContact CD2-CZ 4.39Å; L159-F163 WeakPolarHBondContact O-CB 3.41Å; L159-F163 WeakPolarHBondContact O-CD2 3.23Å; L159-F163 PolarHBondContact O-N 2.76Å
160A98Very high97.4Very high8 Ų820.9 Ų20.97%0.06611%0.112CC..Hα-helixtrans-57.3-43.9176.800000111.6V147 G156 S157 I158 S164 I165 A167V147-A160 HydrophobicContact CB-CB 4.18Å; V147-A160 HydrophobicContact CG2-CB 3.87Å; G156-A160 WeakPolarHBondContact O-CB 3.48Å; G156-A160 PolarHBondContact O-N 3Å; S157-A160 PolarHBondContact O-N 2.85Å; I158-A160 VanDerWaalsContact C-N 3.33Å; I158-A160 PolarHBondContact O-N 3.47Å; A160-S164 WeakPolarHBondContact O-CA 3.47Å; A160-S164 PolarHBondContact O-N 2.87Å; A160-I165 WeakPolarHBondContact CB-O 3.33Å; A160-I165 PolarHBondContact O-N 2.73Å; A160-A167 HydrophobicContact CB-CB 3.88Å
161R96.9Very high97.3Very high87 Ų8720.8 Ų20.833%0.32811%0.112SC..Hα-helixtrans-67-49176.4-17566.4169.3-170.5-4.9112.8S157 I158 L159 F163 S164 I237 D239 L246 E249S157-R161 PolarHBondContact O-N 3.41Å; I158-R161 PolarHBondContact O-N 2.88Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 3.01Å; R161-F163 VanDerWaalsContact C-N 3.3Å; R161-F163 PolarHBondContact O-N 2.83Å; R161-S164 PolarHBondContact O-N 3.48Å; R161-I237 HydrophobicContact CB-CD1 4.03Å; R161-I237 HydrophobicContact CG-CD1 3.78Å; R161-I237 HydrophobicContact CG-CG1 4.31Å; R161-I237 HydrophobicContact CG-CG2 4.44Å; R161-D239 IonicContact CZ-OD2 2.65Å; R161-D239 IonicContact NH2-OD2 2.62Å; R161-D239 PolarHBondContact NH2-OD2 2.95Å; R161-L246 HydrophobicContact CB-CD1 3.89Å; R161-L246 HydrophobicContact CG-CD1 4.26Å; R161-E249 WeakPolarHBondContact CD-OE2 3.42Å; R161-E249 IonicContact CZ-OE1 2.89Å; R161-E249 IonicContact CZ-OE2 3.5Å; R161-E249 IonicContact NE-OE2 3.05Å; R161-E249 IonicContact NH1-OE1 3.98Å; R161-E249 PolarHBondContact NH1-OE1 3.24Å; R161-E249 IonicContact NH1-OE2 3.13Å; R161-E249 PolarHBondContact NH1-OE2 3.41Å; R161-E249 IonicContact NH2-OE1 2.72Å
162I96.3Very high97.1Very high73 Ų7322.2 Ų22.237%0.37412%0.117SC..Hα-helixtrans-58.7-43.7-179.5-72.5173.9000110.9L130 M136 I158 L159 S164L130-I162 HydrophobicContact CD2-CD1 3.89Å; M136-I162 HydrophobicContact CE-CD1 4.43Å; M136-I162 HydrophobicContact CE-CG2 4.18Å; I158-I162 HydrophobicContact CG2-CD1 3.66Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 WeakPolarHBondContact O-CG1 3.25Å; I158-I162 PolarHBondContact O-N 3.41Å; L159-I162 PolarHBondContact O-N 3.09Å; I162-S164 VanDerWaalsContact C-N 3.31Å
163F97Very high96.9Very high43 Ų4322 Ų2219%0.18913%0.125CC..Hα-helixtrans-85.4-3179.3-60.8-39.9000113.5L30 M136 L139 L159 R161 I165L30-F163 HydrophobicContact CD2-CD2 4.06Å; L30-F163 HydrophobicContact CD2-CE2 3.92Å; M136-F163 HydrophobicContact CE-CE1 3.93Å; M136-F163 HydrophobicContact CE-CE2 4.27Å; M136-F163 HydrophobicContact CE-CZ 3.49Å; M136-F163 VanDerWaalsContact CE-CZ 3.49Å; M136-F163 HydrophobicContact SD-CZ 4.15Å; L139-F163 HydrophobicContact CB-CE2 4.05Å; L139-F163 HydrophobicContact CB-CZ 3.72Å; L159-F163 HydrophobicContact CB-CD2 4.41Å; L159-F163 HydrophobicContact CB-CE2 4.4Å; L159-F163 HydrophobicContact CD2-CE2 3.92Å; L159-F163 HydrophobicContact CD2-CZ 4.39Å; L159-F163 WeakPolarHBondContact O-CB 3.41Å; L159-F163 WeakPolarHBondContact O-CD2 3.23Å; L159-F163 PolarHBondContact O-N 2.76Å; R161-F163 VanDerWaalsContact C-N 3.3Å; R161-F163 PolarHBondContact O-N 2.83Å; F163-I165 VanDerWaalsContact C-N 3.31Å; F163-I165 HydrophobicContact CB-CD1 3.94Å; F163-I165 HydrophobicContact CB-CG1 3.9Å; F163-I165 HydrophobicContact CD2-CD1 4.43Å; F163-I165 PolarHBondContact O-N 2.98Å
164S96.6Very high96.8Very high110 Ų11021.8 Ų21.877%0.76912%0.124SC*.THydrogen-bonded Turntrans53.944.9-178.3-60.20000113.1A160 R161 I162A160-S164 WeakPolarHBondContact O-CA 3.47Å; A160-S164 PolarHBondContact O-N 2.87Å; R161-S164 PolarHBondContact O-N 3.48Å; I162-S164 VanDerWaalsContact C-N 3.31Å
165I97.6Very high96.6Very high27 Ų2723.8 Ų23.814%0.13814%0.137CC..  trans-123.1147.8-179.456177.1000110.4F144 V147 A160 F163F144-I165 HydrophobicContact CB-CD1 3.84Å; F144-I165 VanDerWaalsContact O-CG2 3.28Å; F144-I165 WeakPolarHBondContact O-CG2 3.5Å; V147-I165 HydrophobicContact CG2-CD1 3.41Å; V147-I165 VanDerWaalsContact CG2-CD1 3.41Å; V147-I165 HydrophobicContact CG2-CG1 3.79Å; A160-I165 WeakPolarHBondContact CB-O 3.33Å; A160-I165 PolarHBondContact O-N 2.73Å; F163-I165 VanDerWaalsContact C-N 3.31Å; F163-I165 HydrophobicContact CB-CD1 3.94Å; F163-I165 HydrophobicContact CB-CG1 3.9Å; F163-I165 HydrophobicContact CD2-CD1 4.43Å; F163-I165 PolarHBondContact O-N 2.98Å
166P98.3Very high96.3Very high24 Ų2424.4 Ų24.416%0.15614%0.141CC..  trans-68.4139.9-175.428.4-36.2000112.2D145 M146 V147 A251 V464D145-P166 WeakPolarHBondContact O-CD 3.44Å; D145-P166 WeakPolarHBondContact O-CG 3.21Å; M146-P166 WeakPolarHBondContact CA-O 3.46Å; M146-P166 HydrophobicContact CB-CG 4.31Å; V147-P166 PolarHBondContact N-O 3.24Å; P166-A251 HydrophobicContact CB-CB 4.08Å; P166-V464 HydrophobicContact CB-CG1 3.54Å; P166-V464 HydrophobicContact CG-CG1 3.46Å; P166-V464 VanDerWaalsContact CG-CG1 3.46Å
167A98.6Very high96Very high5 Ų525.7 Ų25.74%0.04115%0.148CC..EExtended strand (participates in β ladder)trans-93.4133.5173.400000111.5V147 A160 Y169 A251V147-A167 WeakPolarHBondContact O-CA 3.45Å; A160-A167 HydrophobicContact CB-CB 3.88Å; A167-Y169 HydrophobicContact CB-CD1 4.5Å; A167-Y169 HydrophobicContact CB-CE1 3.87Å; A167-Y169 HydrophobicContact CB-CE2 4.43Å; A167-A251 WeakPolarHBondContact O-CB 3.37Å; A167-A251 PolarHBondContact O-N 3.29Å
168V98.9Very high95.8Very high0 Ų026.1 Ų26.10%015%0.15CC..EExtended strand (participates in β ladder)trans-107.9118.2163.4176.30000107.7M146 V147 L148 T149 I252 L254 V464M146-V168 HydrophobicContact CE-CB 3.43Å; M146-V168 VanDerWaalsContact CE-CB 3.43Å; M146-V168 HydrophobicContact CE-CG1 4.3Å; M146-V168 HydrophobicContact CE-CG2 3.3Å; M146-V168 HydrophobicContact SD-CG2 4.28Å; V147-V168 PolarHBondContact O-N 3Å; L148-V168 HydrophobicContact CD1-CB 4.33Å; L148-V168 HydrophobicContact CD1-CG1 4.06Å; T149-V168 PolarHBondContact N-O 2.81Å; V168-I252 WeakPolarHBondContact CA-O 3.34Å; V168-I252 HydrophobicContact CG1-CB 4.45Å; V168-I252 HydrophobicContact CG2-CB 4.46Å; V168-L254 HydrophobicContact CG1-CD1 3.6Å; V168-L254 HydrophobicContact CG1-CG 3.8Å; V168-V464 HydrophobicContact CG2-CB 3.93Å; V168-V464 HydrophobicContact CG2-CG1 3.95Å; V168-V464 HydrophobicContact CG2-CG2 3.82Å
169Y98.8Very high95.7Very high3 Ų326.3 Ų26.31%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-90.9133.6-178.7-66.7-47.8000111.5T149 P151 S157 A167 I247 I252 W253 L254T149-Y169 HydrophobicContact CG2-CD1 3.61Å; T149-Y169 HydrophobicContact CG2-CE1 3.59Å; T149-Y169 CarbonylContact O-C 3.52Å; T149-Y169 VanDerWaalsContact O-CA 3.29Å; T149-Y169 WeakPolarHBondContact O-CA 3.15Å; P151-Y169 HydrophobicContact CB-CD1 3.73Å; P151-Y169 HydrophobicContact CB-CE1 3.93Å; P151-Y169 HydrophobicContact CB-CG 4.17Å; P151-Y169 HydrophobicContact CG-CD1 3.78Å; P151-Y169 HydrophobicContact CG-CE1 4.46Å; P151-Y169 HydrophobicContact CG-CG 3.82Å; S157-Y169 WeakPolarHBondContact CB-OH 3.47Å; S157-Y169 VanDerWaalsContact OG-CE1 3.22Å; S157-Y169 WeakPolarHBondContact OG-CE1 3.34Å; S157-Y169 PolarHBondContact OG-OH 3.35Å; A167-Y169 HydrophobicContact CB-CD1 4.5Å; A167-Y169 HydrophobicContact CB-CE1 3.87Å; A167-Y169 HydrophobicContact CB-CE2 4.43Å; Y169-I247 HydrophobicContact CE2-CB 4.18Å; Y169-I247 WeakPolarHBondContact CE2-O 3.29Å; Y169-I247 WeakPolarHBondContact OH-CA 3.41Å; Y169-I252 PolarHBondContact N-O 2.99Å; Y169-W253 AromaticContact CD2-CD2 3.65Å; Y169-W253 HydrophobicContact CD2-CD2 3.65Å; Y169-W253 AromaticContact CD2-CE2 3.45Å; Y169-W253 VanDerWaalsContact CD2-CE2 3.45Å; Y169-W253 AromaticContact CD2-CE3 3.87Å; Y169-W253 HydrophobicContact CD2-CE3 3.87Å; Y169-W253 HydrophobicContact CD2-CG 4.35Å; Y169-W253 AromaticContact CD2-CH2 3.81Å; Y169-W253 HydrophobicContact CD2-CH2 3.81Å; Y169-W253 AromaticContact CD2-CZ2 3.58Å; Y169-W253 HydrophobicContact CD2-CZ2 3.58Å; Y169-W253 AromaticContact CD2-CZ3 3.93Å; Y169-W253 HydrophobicContact CD2-CZ3 3.93Å; Y169-W253 AromaticContact CD2-NE1 3.98Å; Y169-W253 HydrophobicContact CE2-CH2 4.06Å; Y169-W253 AromaticContact CE2-CZ2 3.76Å; Y169-W253 HydrophobicContact CE2-CZ2 3.76Å; Y169-W253 HydrophobicContact CG-CD2 4.32Å; Y169-W253 HydrophobicContact CG-CE3 4.23Å; Y169-W253 HydrophobicContact CG-CZ3 4.36Å; Y169-W253 CarbonylContact O-C 3.6Å; Y169-L254 WeakPolarHBondContact O-CA 3.32Å; Y169-L254 WeakPolarHBondContact O-CB 3.45Å; Y169-L254 PolarHBondContact O-N 3.4Å
170F98.3Very high95.6Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-123.4107.1179.4-176.9-86.7000109.3M42 L45 L148 T149 D150 L254 R256 I274 I277M42-F170 HydrophobicContact CB-CD1 3.93Å; M42-F170 HydrophobicContact CB-CE1 3.85Å; M42-F170 HydrophobicContact CE-CB 3.85Å; M42-F170 HydrophobicContact CE-CD1 4.03Å; M42-F170 HydrophobicContact CE-CG 4.26Å; M42-F170 HydrophobicContact CG-CD1 4.39Å; L45-F170 HydrophobicContact CD2-CD2 4.08Å; L45-F170 HydrophobicContact CD2-CE2 4.3Å; L148-F170 HydrophobicContact CD1-CB 4.13Å; T149-F170 PolarHBondContact O-N 3.26Å; D150-F170 WeakPolarHBondContact CA-O 3.46Å; D150-F170 VanDerWaalsContact CB-O 3.27Å; D150-F170 WeakPolarHBondContact CB-O 3.26Å; F170-L254 HydrophobicContact CD2-CB 4.14Å; F170-L254 HydrophobicContact CD2-CD1 4.21Å; F170-R256 HydrophobicContact CD1-CG 4.39Å; F170-R256 HydrophobicContact CE1-CG 3.9Å; F170-R256 HydrophobicContact CE2-CG 4.33Å; F170-R256 HydrophobicContact CZ-CG 3.86Å; F170-I274 HydrophobicContact CD2-CD1 3.72Å; F170-I274 HydrophobicContact CE2-CD1 3.33Å; F170-I274 HydrophobicContact CZ-CD1 4.2Å; F170-I277 HydrophobicContact CE2-CD1 3.93Å; F170-I277 HydrophobicContact CZ-CD1 4.33Å; F170-I277 HydrophobicContact CZ-CG2 4.41Å
171L95.9Very high95.4Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-152.7160.1-166.673.6173.1000113P151 L174 D179 W253 L254 L255 R256P151-L171 HydrophobicContact CG-CB 4.38Å; P151-L171 HydrophobicContact CG-CD1 3.85Å; L171-L174 HydrophobicContact CD1-CD2 4.44Å; L171-L174 HydrophobicContact CD1-CG 4.04Å; L171-D179 HydrophobicContact CD1-CB 3.8Å; L171-W253 HydrophobicContact CD1-CE3 3.78Å; L171-W253 HydrophobicContact CD1-CZ3 3.79Å; L171-W253 HydrophobicContact CD2-CE3 3.88Å; L171-L254 PolarHBondContact N-O 2.99Å; L171-L254 VanDerWaalsContact N-O 3.09Å; L171-L255 HydrophobicContact CD2-CD2 3.71Å; L171-L255 HydrophobicContact CG-CD2 4.17Å; L171-L255 CarbonylContact O-C 3.52Å; L171-L255 WeakPolarHBondContact O-CA 3.42Å; L171-R256 PolarHBondContact O-N 3.4Å
172R92.7Very high95.4Very high30 Ų3025.5 Ų25.511%0.11315%0.149CC..SBendtrans-85.9-31.1166.7171.959.5-173100.5-9.1112.3Y257 D262R172-Y257 VanDerWaalsContact O-CD1 3.31Å; R172-Y257 WeakPolarHBondContact O-CD1 3.48Å; R172-Y257 WeakPolarHBondContact O-CE1 3.13Å; R172-D262 IonicContact CZ-OD2 3.81Å; R172-D262 VanDerWaalsContact CZ-OD2 3.32Å; R172-D262 IonicContact NH1-OD2 3.61Å; R172-D262 PolarHBondContact NH1-OD2 3.04Å; R172-D262 IonicContact NH2-OD2 2.7Å; R172-D262 PolarHBondContact NH2-OD2 3.3Å
173G92.2Very high95.4Very high31 Ų3122 Ų2232%0.3213%0.131SC..  trans151.9162.5-173.200000108.5
174L93.6Very high95.3Very high12 Ų1223.9 Ų23.96%0.06314%0.139CC..  trans-111.2150176.1-63179.4000110.2P151 F152 L171 D177 L178 D179 I247P151-L174 HydrophobicContact CB-CD1 4.41Å; P151-L174 HydrophobicContact CG-CD1 4.31Å; P151-L174 HydrophobicContact CG-CD2 4.48Å; F152-L174 HydrophobicContact CB-CD2 4.22Å; L171-L174 HydrophobicContact CD1-CD2 4.44Å; L171-L174 HydrophobicContact CD1-CG 4.04Å; L174-D177 PolarHBondContact O-N 3.44Å; L174-L178 HydrophobicContact CB-CB 3.88Å; L174-L178 HydrophobicContact CD1-CB 4.07Å; L174-L178 HydrophobicContact CD1-CD2 4.22Å; L174-L178 HydrophobicContact CD1-CG 4.4Å; L174-D179 HydrophobicContact CB-CB 4.47Å; L174-D179 HydrophobicContact CD1-CB 4.18Å; L174-D179 HydrophobicContact CG-CB 4.18Å; L174-D179 PolarHBondContact N-OD1 3.16Å; L174-I247 HydrophobicContact CD1-CD1 3.92Å
175P90.9Very high95.3Very high42 Ų4219 Ų1927%0.27311%0.105SC..G310 helixtrans-46.9147.8166.9-28.835.3000111.2L115 D177 L178 L225 Y226L115-P175 HydrophobicContact CD2-CG 4.35Å; P175-D177 PolarHBondContact O-N 3.4Å; P175-L178 PolarHBondContact O-N 2.65Å; P175-L225 HydrophobicContact CB-CD2 3.35Å; P175-L225 HydrophobicContact CG-CD2 3.88Å; P175-Y226 WeakPolarHBondContact CD-OH 3.14Å; P175-Y226 PolarHBondContact O-OH 3.3Å; P175-Y226 VanDerWaalsContact O-OH 3.13Å
176C89.5Confident95.1Very high16 Ų1620.1 Ų20.111%0.10811%0.114CC..G310 helixtrans63.315.4179.3-74.30000117.2L178 K181 E218 C222C176-L178 PolarHBondContact O-N 2.89Å; C176-K181 VanDerWaalsContact O-CE 3.31Å; C176-K181 WeakPolarHBondContact O-CE 3.42Å; C176-K181 PolarHBondContact O-NZ 3.33Å; C176-E218 PolarHBondContact SG-O 3.41Å; C176-E218 VanDerWaalsContact SG-O 3.41Å; C176-C222 HydrophobicContact CB-CB 3.77Å; C176-C222 WeakPolarHBondContact CB-SG 3.09Å; C176-C222 WeakPolarHBondContact SG-CA 3.46Å; C176-C222 WeakPolarHBondContact SG-CB 3.23Å; C176-C222 CovalentContact SG-SG 2.02Å; C176-C222 PolarHBondContact SG-SG 2.89Å
177D91.8Very high94.9Very high27 Ų2720.4 Ų20.414%0.14412%0.117CC..G310 helixtrans54.937.3-170.5-58.1-39.7000111.7L174 P175 D179 I180 K181 K194L174-D177 PolarHBondContact O-N 3.44Å; P175-D177 PolarHBondContact O-N 3.4Å; D177-D179 PolarHBondContact O-N 3.32Å; D177-I180 HydrophobicContact CB-CB 3.96Å; D177-I180 HydrophobicContact CB-CG1 3.97Å; D177-I180 WeakPolarHBondContact O-CB 3.43Å; D177-I180 PolarHBondContact O-N 2.81Å; D177-I180 VanDerWaalsContact O-N 3.13Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 3.45Å; D177-K194 IonicContact OD2-NZ 2.61Å; D177-K194 PolarHBondContact OD2-NZ 3.11Å
178L94.7Very high94.8Very high10 Ų1022.3 Ų22.35%0.05213%0.129CC..Hα-helixtrans-61-35.7-177.2-171.969.5000111.5L174 P175 C176 K181 A182 Y226 Y243 K244 I247L174-L178 HydrophobicContact CB-CB 3.88Å; L174-L178 HydrophobicContact CD1-CB 4.07Å; L174-L178 HydrophobicContact CD1-CD2 4.22Å; L174-L178 HydrophobicContact CD1-CG 4.4Å; P175-L178 PolarHBondContact O-N 2.65Å; C176-L178 PolarHBondContact O-N 2.89Å; L178-K181 PolarHBondContact O-N 3.32Å; L178-A182 WeakPolarHBondContact O-CB 3.2Å; L178-A182 PolarHBondContact O-N 3.33Å; L178-Y226 HydrophobicContact CB-CE2 4.03Å; L178-Y226 HydrophobicContact CD1-CD2 4.47Å; L178-Y226 HydrophobicContact CD1-CE2 4.34Å; L178-Y226 HydrophobicContact CD2-CD1 3.95Å; L178-Y226 HydrophobicContact CD2-CD2 4.02Å; L178-Y226 HydrophobicContact CD2-CE1 3.6Å; L178-Y226 HydrophobicContact CD2-CE2 3.68Å; L178-Y226 HydrophobicContact CD2-CG 4.15Å; L178-Y226 VanDerWaalsContact CD2-CZ 3.45Å; L178-Y226 HydrophobicContact CG-CE2 4.21Å; L178-Y243 HydrophobicContact CD2-CD1 3.86Å; L178-Y243 HydrophobicContact CD2-CE1 3.92Å; L178-K244 HydrophobicContact CD1-CB 3.93Å; L178-K244 HydrophobicContact CD1-CD 4.25Å; L178-K244 HydrophobicContact CD1-CG 3.8Å; L178-I247 HydrophobicContact CD2-CD1 3.7Å; L178-I247 HydrophobicContact CG-CD1 3.91Å
179D95.5Very high94.6Very high4 Ų424.3 Ų24.32%0.02114%0.141CC..Hα-helixtrans-61.8-40.3174.455.4-57.6000112.5L171 L174 D177 N183 W253L171-D179 HydrophobicContact CD1-CB 3.8Å; L174-D179 HydrophobicContact CB-CB 4.47Å; L174-D179 HydrophobicContact CD1-CB 4.18Å; L174-D179 HydrophobicContact CG-CB 4.18Å; L174-D179 PolarHBondContact N-OD1 3.16Å; D177-D179 PolarHBondContact O-N 3.32Å; D179-N183 PolarHBondContact O-N 2.82Å; D179-N183 PolarHBondContact O-ND2 3.06Å; D179-W253 HydrophobicContact CB-CE3 4.01Å; D179-W253 HydrophobicContact CB-CH2 4.23Å; D179-W253 HydrophobicContact CB-CZ3 3.54Å
180I95.4Very high94.4Very high3 Ų327.1 Ų27.12%0.01516%0.161CC..Hα-helixtrans-68.6-47175.9-57.1-62.7000110.3D177 A182 N183 K184 C185 M271D177-I180 HydrophobicContact CB-CB 3.96Å; D177-I180 HydrophobicContact CB-CG1 3.97Å; D177-I180 WeakPolarHBondContact O-CB 3.43Å; D177-I180 PolarHBondContact O-N 2.81Å; D177-I180 VanDerWaalsContact O-N 3.13Å; I180-A182 PolarHBondContact O-N 3.34Å; I180-N183 PolarHBondContact O-N 2.98Å; I180-K184 PolarHBondContact O-N 2.67Å; I180-C185 HydrophobicContact CB-CB 4.47Å; I180-C185 HydrophobicContact CG2-CB 3.79Å; I180-C185 WeakPolarHBondContact CG2-O 3.31Å; I180-C185 PolarHBondContact O-N 2.73Å; I180-M271 HydrophobicContact CD1-CE 3.79Å
181K94.4Very high94.3Very high73 Ų7331.3 Ų31.332%0.31718%0.177SC..Hα-helixtrans-63.8-40.8179.7-71.3169.9178.6163.80111.7C176 D177 L178 N183 K184C176-K181 VanDerWaalsContact O-CE 3.31Å; C176-K181 WeakPolarHBondContact O-CE 3.42Å; C176-K181 PolarHBondContact O-NZ 3.33Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 3.45Å; L178-K181 PolarHBondContact O-N 3.32Å; K181-N183 VanDerWaalsContact C-N 3.34Å; K181-K184 PolarHBondContact O-N 3.23Å
182A95.9Very high94.3Very high2 Ų231.7 Ų31.72%0.01718%0.18CC..Hα-helixtrans-63.2-39.4177.400000111.8L178 I180 K184 K244 I247 S248 W253 H478L178-A182 WeakPolarHBondContact O-CB 3.2Å; L178-A182 PolarHBondContact O-N 3.33Å; I180-A182 PolarHBondContact O-N 3.34Å; A182-K184 VanDerWaalsContact C-N 3.27Å; A182-K184 PolarHBondContact O-N 3.4Å; A182-K244 HydrophobicContact CB-CG 4.48Å; A182-I247 HydrophobicContact CB-CD1 4.02Å; A182-I247 HydrophobicContact CB-CG1 3.67Å; A182-S248 VanDerWaalsContact O-CB 3.23Å; A182-S248 WeakPolarHBondContact O-CB 3.32Å; A182-W253 HydrophobicContact CB-CH2 4.23Å; A182-W253 HydrophobicContact CB-CZ2 4.25Å; A182-H478 PolarHBondContact O-CE1 2.76Å
183N96.3Very high94.4Very high1 Ų131.2 Ų31.21%0.00518%0.18CC..THydrogen-bonded Turntrans-80.72.6176-77.5-72.3000114.7D179 I180 K181 C185 W253 M268 N270 M271D179-N183 PolarHBondContact O-N 2.82Å; D179-N183 PolarHBondContact O-ND2 3.06Å; I180-N183 PolarHBondContact O-N 2.98Å; K181-N183 VanDerWaalsContact C-N 3.34Å; N183-C185 HydrophobicContact CB-CB 4.28Å; N183-C185 PolarHBondContact O-N 3.31Å; N183-C185 VanDerWaalsContact O-N 3.09Å; N183-W253 VanDerWaalsContact ND2-CD2 3.33Å; N183-W253 VanDerWaalsContact ND2-CZ2 3.31Å; N183-W253 WeakPolarHBondContact ND2-CZ2 3.45Å; N183-W253 PolarHBondContact ND2-NE1 2.94Å; N183-W253 VanDerWaalsContact ND2-NE1 3.14Å; N183-W253 PolarHBondContact OD1-NE1 3.09Å; N183-M268 HydrophobicContact CB-CG 4.25Å; N183-M268 WeakPolarHBondContact O-CG 3.33Å; N183-N270 PolarHBondContact OD1-ND2 3.38Å; N183-N270 PolarHBondContact OD1-OD1 2.83Å; N183-M271 HydrophobicContact CB-SD 4.07Å
184K95.3Very high94.4Very high81 Ų8130.4 Ų30.435%0.35217%0.168SC..THydrogen-bonded Turntrans54.326.6-170.4-55.9-70.9-172.3164.20112.9I180 K181 A182 M268 A477I180-K184 PolarHBondContact O-N 2.67Å; K181-K184 PolarHBondContact O-N 3.23Å; A182-K184 VanDerWaalsContact C-N 3.27Å; A182-K184 PolarHBondContact O-N 3.4Å; K184-M268 VanDerWaalsContact O-CE 3.26Å; K184-M268 WeakPolarHBondContact O-CE 3.27Å; K184-A477 HydrophobicContact CB-CB 3.74Å; K184-A477 HydrophobicContact CG-CB 4.15Å
185C96.1Very high94.1Very high8 Ų832.5 Ų32.55%0.05418%0.177CC..  trans-73.3130.8-176.4-173.60000110.8I180 N183 S187 P266 M268 M271I180-C185 HydrophobicContact CB-CB 4.47Å; I180-C185 HydrophobicContact CG2-CB 3.79Å; I180-C185 WeakPolarHBondContact CG2-O 3.31Å; I180-C185 PolarHBondContact O-N 2.73Å; N183-C185 HydrophobicContact CB-CB 4.28Å; N183-C185 PolarHBondContact O-N 3.31Å; N183-C185 VanDerWaalsContact O-N 3.09Å; C185-S187 PolarHBondContact O-N 3.48Å; C185-P266 PolarHBondContact SG-O 3.23Å; C185-M268 HydrophobicContact CB-CE 4.4Å; C185-M268 HydrophobicContact CB-CG 3.8Å; C185-M271 HydrophobicContact CB-SD 4.16Å
186P94.5Very high93.8Very high50 Ų5035.7 Ų35.733%0.32519%0.187SC..  trans-58.4132.3174-26.733.4000111.7P266 M268P186-P266 HydrophobicContact CB-CB 4.12Å; P186-P266 HydrophobicContact CB-CG 4.15Å; P186-M268 VanDerWaalsContact CD-CE 3.41Å; P186-M268 HydrophobicContact CG-CE 4.47Å
187S94.4Very high93.7Very high31 Ų3135 Ų3522%0.21718%0.182CC..  trans-136.377.1171.8171.80000110C185 V189C185-S187 PolarHBondContact O-N 3.48Å; S187-V189 PolarHBondContact O-N 3.35Å
188P95.1Very high93.6Very high45 Ų4535.8 Ų35.829%0.29220%0.196SC..  trans-65.1117.3-176.2-21.235.1000111.8S190 Y191 V192P188-S190 PolarHBondContact O-N 2.75Å; P188-Y191 HydrophobicContact CB-CD1 4Å; P188-Y191 HydrophobicContact CB-CE1 3.61Å; P188-Y191 HydrophobicContact CG-CD1 4.5Å; P188-Y191 HydrophobicContact CG-CE1 3.63Å; P188-Y191 PolarHBondContact O-N 2.84Å; P188-V192 WeakPolarHBondContact O-CB 3.43Å; P188-V192 PolarHBondContact O-N 3.43Å
189V95.2Very high93.6Very high42 Ų4235.7 Ų35.726%0.25520%0.196SC..THydrogen-bonded Turntrans-63.3-8.5178.7-60.10000114S187 Y191 N211 M212S187-V189 PolarHBondContact O-N 3.35Å; V189-Y191 VanDerWaalsContact C-N 3.35Å; V189-N211 PolarHBondContact O-ND2 2.88Å; V189-M212 HydrophobicContact CB-SD 4.42Å; V189-M212 HydrophobicContact CG2-SD 3.51Å; V189-M212 VanDerWaalsContact CG2-SD 3.51Å
190S95.3Very high93.6Very high62 Ų6236.9 Ų36.943%0.43420%0.203SC..THydrogen-bonded Turntrans-72.5-25.3176.751.90000113.7P188 R208P188-S190 PolarHBondContact O-N 2.75Å; S190-R208 VanDerWaalsContact O-CD 3.31Å; S190-R208 WeakPolarHBondContact O-CD 3.29Å
191Y95.8Very high93.6Very high87 Ų8738.2 Ų38.234%0.34121%0.21SC..THydrogen-bonded Turntrans-144.8-14.218074-91.3000114P188 V189 P193 D201 M203 P266P188-Y191 HydrophobicContact CB-CD1 4Å; P188-Y191 HydrophobicContact CB-CE1 3.61Å; P188-Y191 HydrophobicContact CG-CD1 4.5Å; P188-Y191 HydrophobicContact CG-CE1 3.63Å; P188-Y191 PolarHBondContact O-N 2.84Å; V189-Y191 VanDerWaalsContact C-N 3.35Å; Y191-P193 VanDerWaalsContact O-CD 3.23Å; Y191-P193 WeakPolarHBondContact O-CD 3.5Å; Y191-D201 WeakPolarHBondContact O-CA 2.96Å; Y191-M203 VanDerWaalsContact C-CE 3.48Å; Y191-P266 VanDerWaalsContact OH-CD 3.23Å; Y191-P266 WeakPolarHBondContact OH-CD 3.28Å; Y191-P266 WeakPolarHBondContact OH-CG 3.33Å
192V96.3Very high93.7Very high9 Ų942 Ų426%0.05523%0.228CC..SBendtrans-87.1110.1173-177.30000108.3P188 N211 K265P188-V192 WeakPolarHBondContact O-CB 3.43Å; P188-V192 PolarHBondContact O-N 3.43Å; V192-N211 PolarHBondContact O-ND2 2.88Å; V192-K265 HydrophobicContact CG1-CD 4.29Å; V192-K265 HydrophobicContact CG2-CB 3.96Å
193P95Very high93.7Very high19 Ų1943.1 Ų43.112%0.12323%0.234CC..PPolyproline II helixtrans-70.5138.5-177.928.6-33.9000111.1Y191 N199 N211 W263Y191-P193 VanDerWaalsContact O-CD 3.23Å; Y191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-N199 HydrophobicContact CB-CB 4.01Å; P193-N199 WeakPolarHBondContact CB-O 3.22Å; P193-N211 WeakPolarHBondContact CA-OD1 3.4Å; P193-W263 HydrophobicContact CG-CG 4.09Å
194K92.7Very high93.8Very high14 Ų1447 Ų476%0.06126%0.257CS..PPolyproline II helixtrans-78.9152.1175.6-68.7-47.4-167.2166.70111.5D177 S197 N211 M214 E218D177-K194 IonicContact OD2-NZ 2.61Å; D177-K194 PolarHBondContact OD2-NZ 3.11Å; K194-S197 WeakPolarHBondContact O-CB 3.49Å; K194-S197 PolarHBondContact O-N 3.43Å; K194-S197 VanDerWaalsContact O-N 3.08Å; K194-S197 PolarHBondContact O-OG 3.37Å; K194-N211 WeakPolarHBondContact CB-OD1 3.28Å; K194-N211 PolarHBondContact N-OD1 3.46Å; K194-M214 HydrophobicContact CB-CB 3.88Å; K194-M214 HydrophobicContact CG-CB 4.4Å; K194-E218 WeakPolarHBondContact CB-OE1 3.5Å; K194-E218 WeakPolarHBondContact CD-OE2 3.21Å; K194-E218 IonicContact NZ-OE2 3.62Å
195F86.1Confident93.9Very high57 Ų5749.7 Ų49.725%0.2527%0.27CS..THydrogen-bonded Turntrans-63141.8-175.9-143.5-89.8000109.4S197 M214 E218 D395 D398F195-S197 PolarHBondContact O-N 2.95Å; F195-M214 WeakPolarHBondContact O-CE 3.45Å; F195-E218 PolarHBondContact N-OE1 3.46Å; F195-D395 HydrophobicContact CE1-CB 4.29Å; F195-D395 HydrophobicContact CE2-CB 4.3Å; F195-D395 HydrophobicContact CZ-CB 3.52Å; F195-D398 VanDerWaalsContact CD1-OD2 3.3Å; F195-D398 WeakPolarHBondContact CD1-OD2 3.36Å; F195-D398 HydrophobicContact CE1-CB 4.15Å; F195-D398 WeakPolarHBondContact CE1-OD2 3.37Å; F195-D398 HydrophobicContact CE2-CB 3.89Å; F195-D398 HydrophobicContact CZ-CB 3.62Å; F195-D398 WeakPolarHBondContact CZ-OD2 3.41Å
196F83.8Confident93.9Very high109 Ų10953.8 Ų53.848%0.47830%0.296SS..THydrogen-bonded Turntrans62.65.6-174.4-50.2-64.1000115.8L108 G198 M214 D398L108-F196 HydrophobicContact CD1-CD2 3.89Å; L108-F196 HydrophobicContact CD1-CE2 3.98Å; F196-G198 VanDerWaalsContact C-N 3.27Å; F196-G198 PolarHBondContact O-N 2.92Å; F196-M214 HydrophobicContact CB-CE 4.23Å; F196-D398 PolarHBondContact N-OD1 3.1Å; F196-D398 PolarHBondContact N-OD2 3.21Å
197S88.8Confident94.1Very high1 Ų154.6 Ų54.61%0.00730%0.295CS..SBendtrans-70.3-26.3175.667.50000112.2K194 F195 N199 K210K194-S197 WeakPolarHBondContact O-CB 3.49Å; K194-S197 PolarHBondContact O-N 3.43Å; K194-S197 VanDerWaalsContact O-N 3.08Å; K194-S197 PolarHBondContact O-OG 3.37Å; F195-S197 PolarHBondContact O-N 2.95Å; S197-N199 PolarHBondContact O-N 3.25Å; S197-N199 WeakPolarHBondContact OG-CB 3.48Å; S197-N199 PolarHBondContact OG-N 3.25Å; S197-K210 VanDerWaalsContact O-CE 3.22Å; S197-K210 WeakPolarHBondContact O-CE 3.33Å; S197-K210 PolarHBondContact O-NZ 3.28Å
198G89.8Confident94.2Very high43 Ų4358.3 Ų58.344%0.44331%0.305SS..  trans64.617.8-172.200000113.6F196 H401F196-G198 VanDerWaalsContact C-N 3.27Å; F196-G198 PolarHBondContact O-N 2.92Å; G198-H401 PolarHBondContact O-CE1 2.95Å; G198-H401 PolarHBondContact O-NE2 2.77Å
199N94.8Very high94.3Very high9 Ų959.2 Ų59.25%0.04831%0.309CS..  trans-92.3155.5176.2-66.9-14.5000110.6P193 S197 M203 E207P193-N199 HydrophobicContact CB-CB 4.01Å; P193-N199 WeakPolarHBondContact CB-O 3.22Å; S197-N199 PolarHBondContact O-N 3.25Å; S197-N199 WeakPolarHBondContact OG-CB 3.48Å; S197-N199 PolarHBondContact OG-N 3.25Å; N199-M203 HydrophobicContact CB-CG 3.96Å; N199-M203 HydrophobicContact CB-SD 3.77Å; N199-M203 PolarHBondContact ND2-SD 3.28Å; N199-M203 VanDerWaalsContact ND2-SD 3.35Å; N199-E207 PolarHBondContact ND2-O 3.49Å
200T95.4Very high94.3Very high28 Ų2862 Ų6217%0.17232%0.318CS..  trans-91.3-178.5165.574.30000110.6H202 M203 W263T200-H202 PolarHBondContact O-N 3.27Å; T200-H202 PolarHBondContact OG1-N 2.83Å; T200-H202 VanDerWaalsContact OG1-N 3.1Å; T200-H202 PolarHBondContact OG1-O 3.44Å; T200-M203 VanDerWaalsContact O-CG 3.29Å; T200-M203 WeakPolarHBondContact O-CG 3.32Å; T200-W263 HydrophobicContact CG2-CH2 4.06Å; T200-W263 HydrophobicContact CG2-CZ2 3.97Å
201D94.9Very high94.3Very high31 Ų3159 Ų5917%0.16630%0.297CS..SBendtrans-72-13.4169.657.7-18.4000113.9Y191 W263Y191-D201 WeakPolarHBondContact O-CA 2.96Å; D201-W263 HydrophobicContact CB-CB 4.11Å; D201-W263 HydrophobicContact CB-CD2 4.22Å; D201-W263 HydrophobicContact CB-CE3 4.18Å; D201-W263 HydrophobicContact CB-CG 4.21Å; D201-W263 VanDerWaalsContact CG-CE3 3.42Å; D201-W263 VanDerWaalsContact OD1-CE3 3.23Å; D201-W263 WeakPolarHBondContact OD1-CZ3 3.27Å
202H95.9Very high94.3Very high152 Ų15258.6 Ų58.670%0.70430%0.299SS*.SBendtrans-102.8101.4170.3-67.5-86000110.3T200T200-H202 PolarHBondContact O-N 3.27Å; T200-H202 PolarHBondContact OG1-N 2.83Å; T200-H202 VanDerWaalsContact OG1-N 3.1Å; T200-H202 PolarHBondContact OG1-O 3.44Å
203M96.5Very high94.2Very high27 Ų2764.1 Ų64.113%0.13333%0.326CS..  trans-114.6134.6-175.7-69.7179.9-86.600112.8Y191 N199 T200 E207 R208 N211Y191-M203 VanDerWaalsContact C-CE 3.48Å; N199-M203 HydrophobicContact CB-CG 3.96Å; N199-M203 HydrophobicContact CB-SD 3.77Å; N199-M203 PolarHBondContact ND2-SD 3.28Å; N199-M203 VanDerWaalsContact ND2-SD 3.35Å; T200-M203 VanDerWaalsContact O-CG 3.29Å; T200-M203 WeakPolarHBondContact O-CG 3.32Å; M203-E207 HydrophobicContact CB-CB 3.81Å; M203-E207 HydrophobicContact CG-CB 3.97Å; M203-R208 HydrophobicContact CB-CG 3.63Å; M203-R208 HydrophobicContact SD-CG 4.42Å; M203-N211 HydrophobicContact CE-CB 4.48Å; M203-N211 HydrophobicContact SD-CB 3.75Å
204T97.6Very high94Very high81 Ų8164.1 Ų64.150%0.49733%0.325SS..  trans-66.6170162.563.60000111.2E207 R208T204-E207 WeakPolarHBondContact CB-OE2 3.41Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.37Å; T204-E207 PolarHBondContact N-OE2 3.49Å; T204-E207 PolarHBondContact O-N 2.85Å; T204-E207 VanDerWaalsContact OG1-CD 3.29Å; T204-E207 WeakPolarHBondContact OG1-CG 3.38Å; T204-E207 PolarHBondContact OG1-OE2 3.21Å; T204-R208 WeakPolarHBondContact O-CG 3.24Å; T204-R208 PolarHBondContact O-N 3.14Å
205F97.6Very high94Very high139 Ų13964.2 Ų64.261%0.6133%0.327SS*.Hα-helixtrans-58.5-48.1177.9176.8-98.6000113.6E207 R208 V209F205-E207 VanDerWaalsContact C-N 3.31Å; F205-E207 PolarHBondContact O-N 2.81Å; F205-R208 PolarHBondContact O-N 3.45Å; F205-R208 VanDerWaalsContact O-N 3.16Å; F205-V209 HydrophobicContact CD1-CG2 4.26Å; F205-V209 HydrophobicContact CE1-CG2 3.8Å; F205-V209 HydrophobicContact CE2-CG2 4.16Å; F205-V209 HydrophobicContact CZ-CG2 3.74Å; F205-V209 WeakPolarHBondContact O-CG2 3.29Å; F205-V209 PolarHBondContact O-N 2.84Å
206P97.6Very high94.2Very high93 Ų9367.7 Ų67.760%0.60434%0.342SS*.Hα-helixtrans-59.8-38.7175.9-25.135.6000113.4V209 K210P206-V209 PolarHBondContact O-N 3.14Å; P206-K210 PolarHBondContact O-N 3.38Å
207E97.1Very high94.4Very high67 Ų6765.1 Ų65.131%0.31333%0.333SS..Hα-helixtrans-64.9-39.4176.1-71.5165.6144.500111.5N199 M203 T204 F205 K210 N211N199-E207 PolarHBondContact ND2-O 3.49Å; M203-E207 HydrophobicContact CB-CB 3.81Å; M203-E207 HydrophobicContact CG-CB 3.97Å; T204-E207 WeakPolarHBondContact CB-OE2 3.41Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.37Å; T204-E207 PolarHBondContact N-OE2 3.49Å; T204-E207 PolarHBondContact O-N 2.85Å; T204-E207 VanDerWaalsContact OG1-CD 3.29Å; T204-E207 WeakPolarHBondContact OG1-CG 3.38Å; T204-E207 PolarHBondContact OG1-OE2 3.21Å; F205-E207 VanDerWaalsContact C-N 3.31Å; F205-E207 PolarHBondContact O-N 2.81Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.43Å; E207-N211 WeakPolarHBondContact O-CB 3.22Å; E207-N211 PolarHBondContact O-N 2.79Å
208R97.6Very high94.3Very high109 Ų10965.8 Ų65.841%0.41134%0.336SS..Hα-helixtrans-64.9-37.9172.8-71-173.7-65.4167.20.1112.5S190 M203 T204 F205 N211 M212S190-R208 VanDerWaalsContact O-CD 3.31Å; S190-R208 WeakPolarHBondContact O-CD 3.29Å; M203-R208 HydrophobicContact CB-CG 3.63Å; M203-R208 HydrophobicContact SD-CG 4.42Å; T204-R208 WeakPolarHBondContact O-CG 3.24Å; T204-R208 PolarHBondContact O-N 3.14Å; F205-R208 PolarHBondContact O-N 3.45Å; F205-R208 VanDerWaalsContact O-N 3.16Å; R208-N211 PolarHBondContact O-N 3.38Å; R208-M212 WeakPolarHBondContact O-CB 3.2Å; R208-M212 PolarHBondContact O-N 2.93Å
209V97Very high94.1Very high65 Ų6566.5 Ų66.539%0.39433%0.334SS..Hα-helixtrans-62.1-48173.7173.10000110.2F205 P206 N211 M212 M213F205-V209 HydrophobicContact CD1-CG2 4.26Å; F205-V209 HydrophobicContact CE1-CG2 3.8Å; F205-V209 HydrophobicContact CE2-CG2 4.16Å; F205-V209 HydrophobicContact CZ-CG2 3.74Å; F205-V209 WeakPolarHBondContact O-CG2 3.29Å; F205-V209 PolarHBondContact O-N 2.84Å; P206-V209 PolarHBondContact O-N 3.14Å; V209-N211 VanDerWaalsContact C-N 3.32Å; V209-N211 PolarHBondContact O-N 3.16Å; V209-M212 PolarHBondContact O-N 2.84Å; V209-M213 HydrophobicContact CG1-SD 4.28Å; V209-M213 WeakPolarHBondContact O-CG 3.41Å; V209-M213 PolarHBondContact O-N 3.28Å
210K95.3Very high93.6Very high100 Ų10073.4 Ų73.444%0.43536%0.361SS..Hα-helixtrans-57.4-45.6174-177.2-173.9-177.5-173.30111.3S197 P206 E207 M212 M213 M214S197-K210 VanDerWaalsContact O-CE 3.22Å; S197-K210 WeakPolarHBondContact O-CE 3.33Å; S197-K210 PolarHBondContact O-NZ 3.28Å; P206-K210 PolarHBondContact O-N 3.38Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.43Å; K210-M212 PolarHBondContact O-N 3.45Å; K210-M213 PolarHBondContact O-N 2.99Å; K210-M214 WeakPolarHBondContact O-CG 3.35Å; K210-M214 PolarHBondContact O-N 3.12Å
211N95.8Very high93.2Very high0 Ų072.7 Ų72.70%036%0.356CS..Hα-helixtrans-62.2-42.8-179.5-156.751.3000112.3V189 V192 P193 K194 M203 E207 R208 V209 M214 S215V189-N211 PolarHBondContact O-ND2 2.88Å; V192-N211 PolarHBondContact O-ND2 2.88Å; P193-N211 WeakPolarHBondContact CA-OD1 3.4Å; K194-N211 WeakPolarHBondContact CB-OD1 3.28Å; K194-N211 PolarHBondContact N-OD1 3.46Å; M203-N211 HydrophobicContact CE-CB 4.48Å; M203-N211 HydrophobicContact SD-CB 3.75Å; E207-N211 WeakPolarHBondContact O-CB 3.22Å; E207-N211 PolarHBondContact O-N 2.79Å; R208-N211 PolarHBondContact O-N 3.38Å; V209-N211 VanDerWaalsContact C-N 3.32Å; V209-N211 PolarHBondContact O-N 3.16Å; N211-M214 PolarHBondContact O-N 3.35Å; N211-S215 PolarHBondContact O-N 2.8Å
212M95.1Very high92.7Very high78 Ų7871.9 Ų71.938%0.38435%0.353SS..Hα-helixtrans-60.6-47.9174.3-172.379.1-167.300111V189 R208 V209 K210 M214 S215 F216V189-M212 HydrophobicContact CB-SD 4.42Å; V189-M212 HydrophobicContact CG2-SD 3.51Å; V189-M212 VanDerWaalsContact CG2-SD 3.51Å; R208-M212 WeakPolarHBondContact O-CB 3.2Å; R208-M212 PolarHBondContact O-N 2.93Å; V209-M212 PolarHBondContact O-N 2.84Å; K210-M212 PolarHBondContact O-N 3.45Å; M212-M214 VanDerWaalsContact C-N 3.35Å; M212-M214 PolarHBondContact O-N 3.17Å; M212-S215 WeakPolarHBondContact O-CB 3.23Å; M212-S215 PolarHBondContact O-N 3.09Å; M212-S215 VanDerWaalsContact O-N 3.14Å; M212-S215 PolarHBondContact O-OG 2.78Å; M212-F216 HydrophobicContact CE-CE1 4.15Å; M212-F216 HydrophobicContact CE-CE2 3.53Å; M212-F216 HydrophobicContact CE-CZ 3.26Å; M212-F216 HydrophobicContact CG-CD2 4.37Å; M212-F216 HydrophobicContact CG-CE2 3.74Å; M212-F216 HydrophobicContact CG-CZ 4.47Å; M212-F216 VanDerWaalsContact O-CD2 3.25Å; M212-F216 WeakPolarHBondContact O-CD2 3.3Å; M212-F216 PolarHBondContact O-N 2.93Å; M212-F216 HydrophobicContact SD-CE2 4.43Å
213M93.3Very high92.2Very high125 Ų12569.4 Ų69.462%0.61635%0.348SS*.Hα-helixtrans-60-43.6177.2-72.4175.452.700112.3V209 K210 S215 F216 L217V209-M213 HydrophobicContact CG1-SD 4.28Å; V209-M213 WeakPolarHBondContact O-CG 3.41Å; V209-M213 PolarHBondContact O-N 3.28Å; K210-M213 PolarHBondContact O-N 2.99Å; M213-S215 VanDerWaalsContact C-N 3.28Å; M213-S215 PolarHBondContact O-N 2.9Å; M213-F216 PolarHBondContact O-N 3.42Å; M213-L217 PolarHBondContact O-N 2.9Å
214M91.3Very high91.7Very high19 Ų1971.2 Ų71.29%0.09436%0.361CS..Hα-helixtrans-60.4-37.7175.5-71.2-61-66.800111.7K194 F195 F196 K210 N211 M212 F216 L217 E218K194-M214 HydrophobicContact CB-CB 3.88Å; K194-M214 HydrophobicContact CG-CB 4.4Å; F195-M214 WeakPolarHBondContact O-CE 3.45Å; F196-M214 HydrophobicContact CB-CE 4.23Å; K210-M214 WeakPolarHBondContact O-CG 3.35Å; K210-M214 PolarHBondContact O-N 3.12Å; N211-M214 PolarHBondContact O-N 3.35Å; M212-M214 VanDerWaalsContact C-N 3.35Å; M212-M214 PolarHBondContact O-N 3.17Å; M214-F216 VanDerWaalsContact C-N 3.3Å; M214-F216 PolarHBondContact O-N 2.77Å; M214-L217 PolarHBondContact O-N 3.02Å; M214-L217 HydrophobicContact SD-CD2 4.29Å; M214-E218 WeakPolarHBondContact O-CB 3.45Å; M214-E218 WeakPolarHBondContact O-CG 3.38Å; M214-E218 PolarHBondContact O-N 2.65Å
215S92.4Very high91.4Very high15 Ų1568 Ų6811%0.10534%0.34CS..Hα-helixtrans-63.1-34.4177.779.60000113.7N211 M212 M213 S219N211-S215 PolarHBondContact O-N 2.8Å; M212-S215 WeakPolarHBondContact O-CB 3.23Å; M212-S215 PolarHBondContact O-N 3.09Å; M212-S215 VanDerWaalsContact O-N 3.14Å; M212-S215 PolarHBondContact O-OG 2.78Å; M213-S215 VanDerWaalsContact C-N 3.28Å; M213-S215 PolarHBondContact O-N 2.9Å; S215-S219 WeakPolarHBondContact O-CB 3.35Å; S215-S219 PolarHBondContact O-N 3.1Å; S215-S219 PolarHBondContact O-OG 3.23Å
216F90.4Very high91.2Very high130 Ų13062.1 Ų62.157%0.5731%0.314SS*.Hα-helixtrans-72.1-44.7174.3-67.4-59.5000111.3M212 M213 M214 S219 Y220M212-F216 HydrophobicContact CE-CE1 4.15Å; M212-F216 HydrophobicContact CE-CE2 3.53Å; M212-F216 HydrophobicContact CE-CZ 3.26Å; M212-F216 HydrophobicContact CG-CD2 4.37Å; M212-F216 HydrophobicContact CG-CE2 3.74Å; M212-F216 HydrophobicContact CG-CZ 4.47Å; M212-F216 VanDerWaalsContact O-CD2 3.25Å; M212-F216 WeakPolarHBondContact O-CD2 3.3Å; M212-F216 PolarHBondContact O-N 2.93Å; M212-F216 HydrophobicContact SD-CE2 4.43Å; M213-F216 PolarHBondContact O-N 3.42Å; M214-F216 VanDerWaalsContact C-N 3.3Å; M214-F216 PolarHBondContact O-N 2.77Å; F216-S219 PolarHBondContact O-N 3.46Å; F216-Y220 PolarHBondContact O-N 3.17Å
217L87.9Confident91Very high55 Ų5562.6 Ų62.629%0.28831%0.308SS..Hα-helixtrans-60.5-47.1177.4178.360.7000111.5L108 F109 M213 M214 S219 Y220 L221L108-L217 HydrophobicContact CD2-CD2 3.84Å; L108-L217 HydrophobicContact CD2-CG 4.46Å; F109-L217 HydrophobicContact CZ-CD1 4.23Å; M213-L217 PolarHBondContact O-N 2.9Å; M214-L217 PolarHBondContact O-N 3.02Å; M214-L217 HydrophobicContact SD-CD2 4.29Å; L217-S219 VanDerWaalsContact C-N 3.34Å; L217-S219 PolarHBondContact O-N 2.89Å; L217-Y220 PolarHBondContact O-N 3.22Å; L217-L221 HydrophobicContact CD1-CD1 4.35Å; L217-L221 HydrophobicContact CD1-CG 4.42Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 2.79Å; L217-L221 VanDerWaalsContact O-N 3.1Å
218E86.9Confident90.8Very high16 Ų1660.7 Ų60.78%0.07530%0.299CS..Hα-helixtrans-53-54.4174-78.5178.4175.400109.7C176 K194 F195 M214 Y220 L221 C222C176-E218 PolarHBondContact SG-O 3.41Å; C176-E218 VanDerWaalsContact SG-O 3.41Å; K194-E218 WeakPolarHBondContact CB-OE1 3.5Å; K194-E218 WeakPolarHBondContact CD-OE2 3.21Å; K194-E218 IonicContact NZ-OE2 3.62Å; F195-E218 PolarHBondContact N-OE1 3.46Å; M214-E218 WeakPolarHBondContact O-CB 3.45Å; M214-E218 WeakPolarHBondContact O-CG 3.38Å; M214-E218 PolarHBondContact O-N 2.65Å; E218-Y220 PolarHBondContact O-N 3Å; E218-Y220 VanDerWaalsContact O-N 3.11Å; E218-L221 WeakPolarHBondContact O-CA 3.3Å; E218-L221 WeakPolarHBondContact O-CB 3.49Å; E218-L221 PolarHBondContact O-N 2.92Å; E218-C222 PolarHBondContact O-N 2.65Å; E218-C222 PolarHBondContact O-SG 2.82Å
219S85.4Confident90.7Very high58 Ų5855.7 Ų55.741%0.40628%0.28SS..Hα-helixtrans-53.8-36.7-176.9-61.40000113.5S215 F216 L217S215-S219 WeakPolarHBondContact O-CB 3.35Å; S215-S219 PolarHBondContact O-N 3.1Å; S215-S219 PolarHBondContact O-OG 3.23Å; F216-S219 PolarHBondContact O-N 3.46Å; L217-S219 VanDerWaalsContact C-N 3.34Å; L217-S219 PolarHBondContact O-N 2.89Å
220Y85.1Confident90.6Very high153 Ų15354.9 Ų54.960%0.627%0.274SS*.Hα-helixtrans-68.7-46.9172.8175.3-99.2000112.6F216 L217 E218 C222 T223F216-Y220 PolarHBondContact O-N 3.17Å; L217-Y220 PolarHBondContact O-N 3.22Å; E218-Y220 PolarHBondContact O-N 3Å; E218-Y220 VanDerWaalsContact O-N 3.11Å; Y220-C222 PolarHBondContact O-N 2.91Å; Y220-T223 PolarHBondContact O-N 3.13Å
221L85.8Confident90.6Very high14 Ų1455.4 Ų55.47%0.07328%0.278CS..Hα-helixtrans-62.3-30.7179.4-67.6174.1000112.6L108 F109 V112 L217 E218 T223 V224 L225L108-L221 HydrophobicContact CD2-CD1 3.64Å; L108-L221 HydrophobicContact CG-CD1 3.97Å; F109-L221 HydrophobicContact CD1-CD2 3.78Å; F109-L221 HydrophobicContact CE1-CD2 3.59Å; F109-L221 HydrophobicContact CZ-CD2 4.39Å; V112-L221 HydrophobicContact CG2-CD1 4.33Å; V112-L221 HydrophobicContact CG2-CD2 4.39Å; L217-L221 HydrophobicContact CD1-CD1 4.35Å; L217-L221 HydrophobicContact CD1-CG 4.42Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 2.79Å; L217-L221 VanDerWaalsContact O-N 3.1Å; E218-L221 WeakPolarHBondContact O-CA 3.3Å; E218-L221 WeakPolarHBondContact O-CB 3.49Å; E218-L221 PolarHBondContact O-N 2.92Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.43Å; L221-V224 PolarHBondContact O-N 2.88Å; L221-L225 WeakPolarHBondContact O-CB 3.19Å; L221-L225 PolarHBondContact O-N 3.44Å
222C86.1Confident90.5Very high14 Ų1456 Ų5610%0.09528%0.281CS..Hα-helixtrans-63.3-38.2179.9-40.90000112.8C176 E218 Y220 V224 L225 Y226C176-C222 HydrophobicContact CB-CB 3.77Å; C176-C222 WeakPolarHBondContact CB-SG 3.09Å; C176-C222 WeakPolarHBondContact SG-CA 3.46Å; C176-C222 WeakPolarHBondContact SG-CB 3.23Å; C176-C222 CovalentContact SG-SG 2.02Å; C176-C222 PolarHBondContact SG-SG 2.89Å; E218-C222 PolarHBondContact O-N 2.65Å; E218-C222 PolarHBondContact O-SG 2.82Å; Y220-C222 PolarHBondContact O-N 2.91Å; C222-V224 VanDerWaalsContact C-N 3.26Å; C222-V224 PolarHBondContact O-N 3.25Å; C222-L225 PolarHBondContact O-N 3.23Å; C222-Y226 HydrophobicContact CB-CD2 4.19Å; C222-Y226 HydrophobicContact CB-CE2 4.49Å; C222-Y226 WeakPolarHBondContact O-CD2 3.25Å; C222-Y226 PolarHBondContact O-N 3.39Å
223T85.3Confident90.6Very high99 Ų9952.3 Ų52.361%0.60726%0.263SS*.Hα-helixtrans-59.3-43.8179.7-54.30000110Y220 L221 Q227Y220-T223 PolarHBondContact O-N 3.13Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.43Å; T223-Q227 WeakPolarHBondContact O-CB 3.33Å; T223-Q227 PolarHBondContact O-N 2.76Å; T223-Q227 VanDerWaalsContact O-N 3.14Å
224V85.4Confident90.7Very high66 Ų6649.3 Ų49.340%0.426%0.255SS..Hα-helixtrans-67.5-43176.2-178.60000111.2L221 C222 Y226L221-V224 PolarHBondContact O-N 2.88Å; C222-V224 VanDerWaalsContact C-N 3.26Å; C222-V224 PolarHBondContact O-N 3.25Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; V224-Y226 PolarHBondContact O-N 3.29Å
225L90.2Very high90.8Very high12 Ų1254.3 Ų54.36%0.06328%0.276CS..Hα-helixtrans-62.7-40.4-176.2-175.264000112.4L115 V116 P175 L221 C222 H228L115-L225 HydrophobicContact CB-CD1 4.48Å; L115-L225 HydrophobicContact CD2-CD1 3.8Å; L115-L225 HydrophobicContact CD2-CD2 4.47Å; L115-L225 HydrophobicContact CG-CD1 4.01Å; V116-L225 HydrophobicContact CG2-CD1 3.72Å; P175-L225 HydrophobicContact CB-CD2 3.35Å; P175-L225 HydrophobicContact CG-CD2 3.88Å; L221-L225 WeakPolarHBondContact O-CB 3.19Å; L221-L225 PolarHBondContact O-N 3.44Å; C222-L225 PolarHBondContact O-N 3.23Å; L225-H228 PolarHBondContact O-CE1 3.26Å; L225-H228 PolarHBondContact O-ND1 3.06Å
226Y93.8Very high90.9Very high16 Ų1656.5 Ų56.56%0.06328%0.282CS..Hα-helixtrans-102.2-5.5-171.6-66.2-64.3000114.8P175 L178 C222 V224 H228 F229 D230 Y243P175-Y226 WeakPolarHBondContact CD-OH 3.14Å; P175-Y226 PolarHBondContact O-OH 3.3Å; P175-Y226 VanDerWaalsContact O-OH 3.13Å; L178-Y226 HydrophobicContact CB-CE2 4.03Å; L178-Y226 HydrophobicContact CD1-CD2 4.47Å; L178-Y226 HydrophobicContact CD1-CE2 4.34Å; L178-Y226 HydrophobicContact CD2-CD1 3.95Å; L178-Y226 HydrophobicContact CD2-CD2 4.02Å; L178-Y226 HydrophobicContact CD2-CE1 3.6Å; L178-Y226 HydrophobicContact CD2-CE2 3.68Å; L178-Y226 HydrophobicContact CD2-CG 4.15Å; L178-Y226 VanDerWaalsContact CD2-CZ 3.45Å; L178-Y226 HydrophobicContact CG-CE2 4.21Å; C222-Y226 HydrophobicContact CB-CD2 4.19Å; C222-Y226 HydrophobicContact CB-CE2 4.49Å; C222-Y226 WeakPolarHBondContact O-CD2 3.25Å; C222-Y226 PolarHBondContact O-N 3.39Å; V224-Y226 VanDerWaalsContact C-N 3.34Å; V224-Y226 PolarHBondContact O-N 3.29Å; Y226-H228 VanDerWaalsContact C-N 3.3Å; Y226-H228 PolarHBondContact O-N 3.18Å; Y226-F229 AromaticContact CD1-CD2 3.51Å; Y226-F229 HydrophobicContact CD1-CD2 3.51Å; Y226-F229 AromaticContact CD1-CE2 3.84Å; Y226-F229 HydrophobicContact CD1-CE2 3.84Å; Y226-F229 HydrophobicContact CD1-CG 4.45Å; Y226-F229 HydrophobicContact CE1-CD2 4.02Å; Y226-F229 AromaticContact CE1-CE2 3.92Å; Y226-F229 HydrophobicContact CE1-CE2 3.92Å; Y226-F229 WeakPolarHBondContact O-CA 3.25Å; Y226-F229 WeakPolarHBondContact O-CB 3.46Å; Y226-F229 PolarHBondContact O-N 3.19Å; Y226-D230 PolarHBondContact O-N 3.26Å; Y226-Y243 AromaticContact CD1-CD1 3.98Å; Y226-Y243 HydrophobicContact CD1-CD1 3.98Å; Y226-Y243 HydrophobicContact CD1-CE1 4.27Å; Y226-Y243 HydrophobicContact CE1-CD1 4.42Å; Y226-Y243 HydrophobicContact CE1-CE1 4.29Å
227Q93.1Very high91Very high104 Ų10451 Ų5149%0.48626%0.258SS..Hα-helixtrans-51.1-47.5179.6-179.7-179-12.100112.9T223 F229 D230 E231T223-Q227 WeakPolarHBondContact O-CB 3.33Å; T223-Q227 PolarHBondContact O-N 2.76Å; T223-Q227 VanDerWaalsContact O-N 3.14Å; Q227-F229 PolarHBondContact O-N 3.49Å; Q227-D230 WeakPolarHBondContact O-CB 3.31Å; Q227-D230 PolarHBondContact O-N 3.29Å; Q227-D230 VanDerWaalsContact O-N 3.11Å; Q227-E231 PolarHBondContact NE2-OE1 3.38Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 3.12Å
228H92.8Very high90.7Very high26 Ų2657.3 Ų57.312%0.1229%0.286CS..Hα-helixtrans-68-21.5179.871.1-71.6000113.6T119 S120 L225 Y226 L232T119-H228 PolarHBondContact OG1-CE1 3.42Å; T119-H228 PolarHBondContact OG1-NE2 3.36Å; S120-H228 PolarHBondContact N-NE2 3.34Å; L225-H228 PolarHBondContact O-CE1 3.26Å; L225-H228 PolarHBondContact O-ND1 3.06Å; Y226-H228 VanDerWaalsContact C-N 3.3Å; Y226-H228 PolarHBondContact O-N 3.18Å; H228-L232 PolarHBondContact O-N 3.34Å
229F95.9Very high90.8Very high4 Ų460.3 Ų60.32%0.01830%0.302CS..Hα-helixtrans-78.3-41.4169.5-64.5-9.1000110.5T119 S123 L153 P154 Y226 Q227 E231 L232 V233 Y243T119-F229 HydrophobicContact CG2-CZ 4.33Å; S123-F229 WeakPolarHBondContact OG-CD1 3.34Å; S123-F229 WeakPolarHBondContact OG-CE1 3.43Å; L153-F229 HydrophobicContact CD2-CE1 4.49Å; L153-F229 HydrophobicContact CD2-CZ 4.11Å; P154-F229 HydrophobicContact CB-CB 4.4Å; P154-F229 HydrophobicContact CB-CG 4.28Å; P154-F229 HydrophobicContact CG-CB 4.37Å; P154-F229 HydrophobicContact CG-CD1 3.72Å; P154-F229 HydrophobicContact CG-CD2 4.41Å; P154-F229 HydrophobicContact CG-CE1 4.07Å; P154-F229 HydrophobicContact CG-CG 3.94Å; Y226-F229 AromaticContact CD1-CD2 3.51Å; Y226-F229 HydrophobicContact CD1-CD2 3.51Å; Y226-F229 AromaticContact CD1-CE2 3.84Å; Y226-F229 HydrophobicContact CD1-CE2 3.84Å; Y226-F229 HydrophobicContact CD1-CG 4.45Å; Y226-F229 HydrophobicContact CE1-CD2 4.02Å; Y226-F229 AromaticContact CE1-CE2 3.92Å; Y226-F229 HydrophobicContact CE1-CE2 3.92Å; Y226-F229 WeakPolarHBondContact O-CA 3.25Å; Y226-F229 WeakPolarHBondContact O-CB 3.46Å; Y226-F229 PolarHBondContact O-N 3.19Å; Q227-F229 PolarHBondContact O-N 3.49Å; F229-E231 VanDerWaalsContact C-N 3.28Å; F229-E231 PolarHBondContact O-N 3.29Å; F229-L232 PolarHBondContact O-N 3.37Å; F229-V233 VanDerWaalsContact O-CG2 3.32Å; F229-V233 WeakPolarHBondContact O-CG2 3.26Å; F229-V233 PolarHBondContact O-N 3.49Å; F229-Y243 HydrophobicContact CB-CD1 4.01Å; F229-Y243 HydrophobicContact CB-CD2 4.25Å; F229-Y243 HydrophobicContact CB-CG 3.77Å; F229-Y243 AromaticContact CD2-CD1 3.6Å; F229-Y243 HydrophobicContact CD2-CD1 3.6Å; F229-Y243 AromaticContact CD2-CE1 3.53Å; F229-Y243 HydrophobicContact CD2-CE1 3.53Å; F229-Y243 HydrophobicContact CD2-CG 4.16Å; F229-Y243 HydrophobicContact CE2-CE1 4.11Å; F229-Y243 HydrophobicContact CG-CD1 4.31Å; F229-Y243 HydrophobicContact CG-CG 4.47Å
230D95.4Very high91Very high49 Ų4960.8 Ų60.826%0.26232%0.317SS..Hα-helixtrans-59-40.1174.7-66.3-34000111.6Y226 Q227 V233 S234 Y243Y226-D230 PolarHBondContact O-N 3.26Å; Q227-D230 WeakPolarHBondContact O-CB 3.31Å; Q227-D230 PolarHBondContact O-N 3.29Å; Q227-D230 VanDerWaalsContact O-N 3.11Å; D230-V233 PolarHBondContact O-N 2.93Å; D230-S234 WeakPolarHBondContact O-CB 3.37Å; D230-S234 PolarHBondContact O-N 2.74Å; D230-S234 PolarHBondContact O-OG 2.64Å; D230-Y243 VanDerWaalsContact OD1-CB 3.29Å; D230-Y243 WeakPolarHBondContact OD1-CB 3.49Å; D230-Y243 PolarHBondContact OD1-N 3.47Å
231E94.5Very high91.4Very high111 Ų11154.8 Ų54.852%0.51929%0.294SS..Hα-helixtrans-61.7-46174.5-73.5171.1-16900111.9Q227 F229 S234 K235Q227-E231 PolarHBondContact NE2-OE1 3.38Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 3.12Å; F229-E231 VanDerWaalsContact C-N 3.28Å; F229-E231 PolarHBondContact O-N 3.29Å; E231-S234 PolarHBondContact O-N 2.85Å; E231-K235 WeakPolarHBondContact O-CB 3.37Å; E231-K235 PolarHBondContact O-N 2.97Å
232L95.3Very high91.8Very high12 Ų1255.4 Ų55.46%0.06330%0.3CS..Hα-helixtrans-65.2-42.2177.5-179.761.6000111.9C126 E127 P154 I158 H228 F229 K235 R236C126-L232 HydrophobicContact CB-CD2 4.31Å; E127-L232 HydrophobicContact CB-CD1 4.21Å; E127-L232 HydrophobicContact CG-CD1 4.13Å; P154-L232 HydrophobicContact CG-CD2 3.89Å; I158-L232 HydrophobicContact CD1-CD2 3.91Å; I158-L232 HydrophobicContact CD1-CG 3.84Å; H228-L232 PolarHBondContact O-N 3.34Å; F229-L232 PolarHBondContact O-N 3.37Å; L232-K235 PolarHBondContact O-N 3.08Å; L232-R236 HydrophobicContact CD1-CG 4.14Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 2.95Å
233V96.5Very high92.3Very high0 Ų054.8 Ų54.80%030%0.295CS..Hα-helixtrans-61.2-50.4175.9171.10000110I158 F229 D230 K235 R236 I237 M241 Y243 L246I158-V233 HydrophobicContact CD1-CG2 4.2Å; I158-V233 HydrophobicContact CG1-CG2 4.25Å; F229-V233 VanDerWaalsContact O-CG2 3.32Å; F229-V233 WeakPolarHBondContact O-CG2 3.26Å; F229-V233 PolarHBondContact O-N 3.49Å; D230-V233 PolarHBondContact O-N 2.93Å; V233-K235 VanDerWaalsContact C-N 3.26Å; V233-K235 PolarHBondContact O-N 3.34Å; V233-R236 PolarHBondContact O-N 3.28Å; V233-I237 HydrophobicContact CG1-CB 4.49Å; V233-I237 HydrophobicContact CG1-CD1 4.19Å; V233-I237 WeakPolarHBondContact O-CB 3.34Å; V233-I237 PolarHBondContact O-N 2.9Å; V233-M241 VanDerWaalsContact CG1-O 3.22Å; V233-M241 WeakPolarHBondContact CG1-O 3.43Å; V233-Y243 HydrophobicContact CG2-CD2 3.98Å; V233-L246 HydrophobicContact CG1-CD2 4.32Å; V233-L246 HydrophobicContact CG2-CD2 3.66Å
234S94.8Very high92.8Very high63 Ų6354.7 Ų54.744%0.44129%0.287SS..Hα-helixtrans-60.1-35.7179.9-58.80000112.6D230 E231 R236D230-S234 WeakPolarHBondContact O-CB 3.37Å; D230-S234 PolarHBondContact O-N 2.74Å; D230-S234 PolarHBondContact O-OG 2.64Å; E231-S234 PolarHBondContact O-N 2.85Å; S234-R236 VanDerWaalsContact C-N 3.34Å
235K94.3Very high93.3Very high123 Ų12355.8 Ų55.854%0.53529%0.287SS..Hα-helixtrans-66.7-34.8176.5-177.5173.6179.6177.20112.6E127 E231 L232 V233E127-K235 WeakPolarHBondContact OE1-CD 3.5Å; E127-K235 WeakPolarHBondContact OE1-CE 3.39Å; E127-K235 IonicContact OE1-NZ 2.7Å; E127-K235 PolarHBondContact OE1-NZ 3.41Å; E231-K235 WeakPolarHBondContact O-CB 3.37Å; E231-K235 PolarHBondContact O-N 2.97Å; L232-K235 PolarHBondContact O-N 3.08Å; V233-K235 VanDerWaalsContact C-N 3.26Å; V233-K235 PolarHBondContact O-N 3.34Å
236R94.1Very high93.7Very high61 Ų6155.3 Ų55.323%0.2329%0.285CS..Hα-helixtrans-99.5-28-171.8-61-66.7174.3-172.6-3.3113.3E127 L130 D131 I158 L232 V233 S234E127-R236 IonicContact OE1-NH2 2.82Å; L130-R236 HydrophobicContact CD1-CG 3.85Å; D131-R236 IonicContact OD1-CZ 3.81Å; D131-R236 IonicContact OD1-NH1 3.4Å; D131-R236 PolarHBondContact OD1-NH1 2.83Å; D131-R236 IonicContact OD1-NH2 3.32Å; D131-R236 PolarHBondContact OD1-NH2 2.95Å; D131-R236 IonicContact OD2-NH2 2.97Å; D131-R236 PolarHBondContact OD2-NH2 3.2Å; I158-R236 HydrophobicContact CG2-CB 4.18Å; L232-R236 HydrophobicContact CD1-CG 4.14Å; L232-R236 VanDerWaalsContact O-CG 3.28Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 2.95Å; V233-R236 PolarHBondContact O-N 3.28Å; S234-R236 VanDerWaalsContact C-N 3.34Å
237I91.9Very high93.8Very high14 Ų1454.5 Ų54.57%0.07228%0.282CS..  trans-125.9104-175.8-54.4168.3000106.7I158 R161 V233 D239 L246I158-I237 HydrophobicContact CG1-CD1 4.45Å; R161-I237 HydrophobicContact CB-CD1 4.03Å; R161-I237 HydrophobicContact CG-CD1 3.78Å; R161-I237 HydrophobicContact CG-CG1 4.31Å; R161-I237 HydrophobicContact CG-CG2 4.44Å; V233-I237 HydrophobicContact CG1-CB 4.49Å; V233-I237 HydrophobicContact CG1-CD1 4.19Å; V233-I237 WeakPolarHBondContact O-CB 3.34Å; V233-I237 PolarHBondContact O-N 2.9Å; I237-D239 VanDerWaalsContact CG2-CG 3.49Å; I237-D239 VanDerWaalsContact CG2-OD1 3.26Å; I237-D239 WeakPolarHBondContact CG2-OD1 3.16Å; I237-D239 WeakPolarHBondContact CG2-OD2 3.26Å; I237-D239 PolarHBondContact O-N 3.27Å; I237-D239 VanDerWaalsContact O-N 3.15Å; I237-L246 HydrophobicContact CD1-CD1 3.83Å; I237-L246 HydrophobicContact CD1-CD2 4.1Å
238Q83.2Confident94Very high188 Ų18850.3 Ų50.388%0.87926%0.264SS*.THydrogen-bonded Turntrans-86.934-171.5-61.7-177.80.100113.3
239D89.1Confident94.2Very high79 Ų7952.8 Ų52.842%0.42228%0.276SS..THydrogen-bonded Turntrans-1043.8177.862.88.4000113.2R161 I237 M241R161-D239 IonicContact CZ-OD2 2.65Å; R161-D239 IonicContact NH2-OD2 2.62Å; R161-D239 PolarHBondContact NH2-OD2 2.95Å; I237-D239 VanDerWaalsContact CG2-CG 3.49Å; I237-D239 VanDerWaalsContact CG2-OD1 3.26Å; I237-D239 WeakPolarHBondContact CG2-OD1 3.16Å; I237-D239 WeakPolarHBondContact CG2-OD2 3.26Å; I237-D239 PolarHBondContact O-N 3.27Å; I237-D239 VanDerWaalsContact O-N 3.15Å; D239-M241 VanDerWaalsContact C-N 3.3Å; D239-M241 WeakPolarHBondContact OD1-CB 3.28Å; D239-M241 PolarHBondContact OD1-N 3.37Å
240G88.2Confident94.2Very high68 Ų6852.8 Ų52.870%0.70128%0.277SS*.  trans78.111.6178.200000114.4
241M93.4Very high94.4Very high27 Ų2751 Ų5113%0.13327%0.269CS..  trans-72.6139.2-178.5-172.3-179.2-72.700112.8V233 D239 E245 L246V233-M241 VanDerWaalsContact CG1-O 3.22Å; V233-M241 WeakPolarHBondContact CG1-O 3.43Å; D239-M241 VanDerWaalsContact C-N 3.3Å; D239-M241 WeakPolarHBondContact OD1-CB 3.28Å; D239-M241 PolarHBondContact OD1-N 3.37Å; M241-E245 HydrophobicContact CG-CB 3.34Å; M241-E245 HydrophobicContact SD-CB 4.09Å; M241-L246 HydrophobicContact CG-CB 4.47Å; M241-L246 WeakPolarHBondContact SD-CA 3.39Å; M241-L246 HydrophobicContact SD-CB 3.81Å; M241-L246 HydrophobicContact SD-CD1 4.3Å; M241-L246 PolarHBondContact SD-N 3.37Å
242S95.2Very high94.6Very high27 Ų2745.7 Ų45.719%0.18924%0.244CC..  trans-80162168.7630000112.3K244 E245 L246S242-K244 VanDerWaalsContact C-N 3.25Å; S242-K244 PolarHBondContact O-N 2.94Å; S242-E245 WeakPolarHBondContact CB-OE2 3.3Å; S242-E245 PolarHBondContact N-OE2 3.31Å; S242-E245 PolarHBondContact O-N 3.45Å; S242-E245 VanDerWaalsContact OG-CD 3.23Å; S242-E245 WeakPolarHBondContact OG-CG 3.39Å; S242-E245 PolarHBondContact OG-N 3.35Å; S242-E245 PolarHBondContact OG-OE2 3.35Å; S242-L246 PolarHBondContact O-N 3.45Å
243Y96.6Very high94.7Very high1 Ų145.1 Ų45.10%0.00424%0.241CC..Hα-helixtrans-57.2-39.7175.2-178.8-119.9000112.8P151 L153 P154 L178 Y226 F229 D230 V233 E245 L246 I247P151-Y243 PolarHBondContact O-OH 2.97Å; L153-Y243 PolarHBondContact O-OH 2.89Å; P154-Y243 VanDerWaalsContact CA-CE2 3.42Å; P154-Y243 HydrophobicContact CB-CD2 3.76Å; P154-Y243 HydrophobicContact CB-CE2 3.37Å; L178-Y243 HydrophobicContact CD2-CD1 3.86Å; L178-Y243 HydrophobicContact CD2-CE1 3.92Å; Y226-Y243 AromaticContact CD1-CD1 3.98Å; Y226-Y243 HydrophobicContact CD1-CD1 3.98Å; Y226-Y243 HydrophobicContact CD1-CE1 4.27Å; Y226-Y243 HydrophobicContact CE1-CD1 4.42Å; Y226-Y243 HydrophobicContact CE1-CE1 4.29Å; F229-Y243 HydrophobicContact CB-CD1 4.01Å; F229-Y243 HydrophobicContact CB-CD2 4.25Å; F229-Y243 HydrophobicContact CB-CG 3.77Å; F229-Y243 AromaticContact CD2-CD1 3.6Å; F229-Y243 HydrophobicContact CD2-CD1 3.6Å; F229-Y243 AromaticContact CD2-CE1 3.53Å; F229-Y243 HydrophobicContact CD2-CE1 3.53Å; F229-Y243 HydrophobicContact CD2-CG 4.16Å; F229-Y243 HydrophobicContact CE2-CE1 4.11Å; F229-Y243 HydrophobicContact CG-CD1 4.31Å; F229-Y243 HydrophobicContact CG-CG 4.47Å; D230-Y243 VanDerWaalsContact OD1-CB 3.29Å; D230-Y243 WeakPolarHBondContact OD1-CB 3.49Å; D230-Y243 PolarHBondContact OD1-N 3.47Å; V233-Y243 HydrophobicContact CG2-CD2 3.98Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 2.96Å; Y243-L246 HydrophobicContact CD2-CD2 4.32Å; Y243-L246 PolarHBondContact O-N 3.46Å; Y243-I247 HydrophobicContact CD2-CG2 4.09Å; Y243-I247 HydrophobicContact CE1-CD1 4.19Å; Y243-I247 HydrophobicContact CE1-CG2 4.16Å; Y243-I247 HydrophobicContact CE2-CG2 3.4Å; Y243-I247 VanDerWaalsContact CE2-CG2 3.4Å; Y243-I247 VanDerWaalsContact CZ-CG2 3.48Å; Y243-I247 WeakPolarHBondContact O-CG1 3.45Å; Y243-I247 PolarHBondContact O-N 3.32Å
244K96.1Very high94.8Very high97 Ų9745.1 Ų45.142%0.42224%0.241SC..Hα-helixtrans-59.3-42175.2-178.2-171.568.6-167.90112L178 A182 S242 I247 S248L178-K244 HydrophobicContact CD1-CB 3.93Å; L178-K244 HydrophobicContact CD1-CD 4.25Å; L178-K244 HydrophobicContact CD1-CG 3.8Å; A182-K244 HydrophobicContact CB-CG 4.48Å; S242-K244 VanDerWaalsContact C-N 3.25Å; S242-K244 PolarHBondContact O-N 2.94Å; K244-I247 WeakPolarHBondContact O-CG1 3.35Å; K244-S248 PolarHBondContact O-N 3.38Å; K244-S248 VanDerWaalsContact O-N 3.15Å
245E95.8Very high95Very high89 Ų8942.1 Ų42.142%0.41622%0.22SC..Hα-helixtrans-71.3-39.4178.8-73.1159.9152.900110.9M241 S242 Y243 I247 S248M241-E245 HydrophobicContact CG-CB 3.34Å; M241-E245 HydrophobicContact SD-CB 4.09Å; S242-E245 WeakPolarHBondContact CB-OE2 3.3Å; S242-E245 PolarHBondContact N-OE2 3.31Å; S242-E245 PolarHBondContact O-N 3.45Å; S242-E245 VanDerWaalsContact OG-CD 3.23Å; S242-E245 WeakPolarHBondContact OG-CG 3.39Å; S242-E245 PolarHBondContact OG-N 3.35Å; S242-E245 PolarHBondContact OG-OE2 3.35Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 2.96Å; E245-I247 PolarHBondContact O-N 3.01Å; E245-S248 VanDerWaalsContact O-CB 3.24Å; E245-S248 WeakPolarHBondContact O-CB 3.11Å; E245-S248 PolarHBondContact O-N 3.42Å; E245-S248 PolarHBondContact O-OG 3.25Å
246L97.4Very high95.1Very high2 Ų236.9 Ų36.91%0.0120%0.197CC..Hα-helixtrans-57.1-52.2175.1175.664.2000111.3I158 R161 V233 I237 M241 S242 Y243 S248 E249I158-L246 HydrophobicContact CG1-CD2 3.69Å; R161-L246 HydrophobicContact CB-CD1 3.89Å; R161-L246 HydrophobicContact CG-CD1 4.26Å; V233-L246 HydrophobicContact CG1-CD2 4.32Å; V233-L246 HydrophobicContact CG2-CD2 3.66Å; I237-L246 HydrophobicContact CD1-CD1 3.83Å; I237-L246 HydrophobicContact CD1-CD2 4.1Å; M241-L246 HydrophobicContact CG-CB 4.47Å; M241-L246 WeakPolarHBondContact SD-CA 3.39Å; M241-L246 HydrophobicContact SD-CB 3.81Å; M241-L246 HydrophobicContact SD-CD1 4.3Å; M241-L246 PolarHBondContact SD-N 3.37Å; S242-L246 PolarHBondContact O-N 3.45Å; Y243-L246 HydrophobicContact CD2-CD2 4.32Å; Y243-L246 PolarHBondContact O-N 3.46Å; L246-S248 PolarHBondContact O-N 2.91Å; L246-E249 WeakPolarHBondContact O-CB 3.42Å; L246-E249 PolarHBondContact O-N 2.75Å; L246-E249 VanDerWaalsContact O-N 3.12Å
247I97.5Very high95.2Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-70.9-17.1179.669.8-179.2000112.5P151 Y169 L174 L178 A182 Y243 K244 E245 E249 G250 W253P151-I247 HydrophobicContact CB-CG2 4.36Å; Y169-I247 HydrophobicContact CE2-CB 4.18Å; Y169-I247 WeakPolarHBondContact CE2-O 3.29Å; Y169-I247 WeakPolarHBondContact OH-CA 3.41Å; L174-I247 HydrophobicContact CD1-CD1 3.92Å; L178-I247 HydrophobicContact CD2-CD1 3.7Å; L178-I247 HydrophobicContact CG-CD1 3.91Å; A182-I247 HydrophobicContact CB-CD1 4.02Å; A182-I247 HydrophobicContact CB-CG1 3.67Å; Y243-I247 HydrophobicContact CD2-CG2 4.09Å; Y243-I247 HydrophobicContact CE1-CD1 4.19Å; Y243-I247 HydrophobicContact CE1-CG2 4.16Å; Y243-I247 HydrophobicContact CE2-CG2 3.4Å; Y243-I247 VanDerWaalsContact CE2-CG2 3.4Å; Y243-I247 VanDerWaalsContact CZ-CG2 3.48Å; Y243-I247 WeakPolarHBondContact O-CG1 3.45Å; Y243-I247 PolarHBondContact O-N 3.32Å; K244-I247 WeakPolarHBondContact O-CG1 3.35Å; E245-I247 PolarHBondContact O-N 3.01Å; I247-E249 PolarHBondContact O-N 2.89Å; I247-E249 VanDerWaalsContact O-N 3.17Å; I247-G250 PolarHBondContact O-N 2.84Å; I247-G250 VanDerWaalsContact O-N 3.17Å; I247-W253 HydrophobicContact CB-CH2 4.13Å; I247-W253 HydrophobicContact CB-CZ2 4.49Å; I247-W253 HydrophobicContact CD1-CH2 4.06Å; I247-W253 HydrophobicContact CG1-CH2 4.09Å; I247-W253 WeakPolarHBondContact O-CZ2 3.29Å
248S96.9Very high95.4Very high16 Ų1634.3 Ų34.311%0.11219%0.188CC..THydrogen-bonded Turntrans-63.8-17.3172.387.50000112.7A182 K244 E245 L246 G250 R474A182-S248 VanDerWaalsContact O-CB 3.23Å; A182-S248 WeakPolarHBondContact O-CB 3.32Å; K244-S248 PolarHBondContact O-N 3.38Å; K244-S248 VanDerWaalsContact O-N 3.15Å; E245-S248 VanDerWaalsContact O-CB 3.24Å; E245-S248 WeakPolarHBondContact O-CB 3.11Å; E245-S248 PolarHBondContact O-N 3.42Å; E245-S248 PolarHBondContact O-OG 3.25Å; L246-S248 PolarHBondContact O-N 2.91Å; S248-G250 VanDerWaalsContact C-N 3.27Å; S248-G250 PolarHBondContact O-N 2.9Å; S248-R474 PolarHBondContact O-NH1 2.78Å
249E95.7Very high96Very high78 Ų7828.7 Ų28.736%0.36416%0.161SC..THydrogen-bonded Turntrans-79.6-3177-57.2-167.5154.100113.7R161 L246 I247 A251R161-E249 WeakPolarHBondContact CD-OE2 3.42Å; R161-E249 IonicContact CZ-OE1 2.89Å; R161-E249 IonicContact CZ-OE2 3.5Å; R161-E249 IonicContact NE-OE2 3.05Å; R161-E249 IonicContact NH1-OE1 3.98Å; R161-E249 PolarHBondContact NH1-OE1 3.24Å; R161-E249 IonicContact NH1-OE2 3.13Å; R161-E249 PolarHBondContact NH1-OE2 3.41Å; R161-E249 IonicContact NH2-OE1 2.72Å; L246-E249 WeakPolarHBondContact O-CB 3.42Å; L246-E249 PolarHBondContact O-N 2.75Å; L246-E249 VanDerWaalsContact O-N 3.12Å; I247-E249 PolarHBondContact O-N 2.89Å; I247-E249 VanDerWaalsContact O-N 3.17Å; E249-A251 PolarHBondContact O-N 2.86Å
250G97.5Very high96.2Very high4 Ų425.9 Ų25.94%0.04115%0.146CC..  trans-56129.7177.700000113.5I247 S248I247-G250 PolarHBondContact O-N 2.84Å; I247-G250 VanDerWaalsContact O-N 3.17Å; S248-G250 VanDerWaalsContact C-N 3.27Å; S248-G250 PolarHBondContact O-N 2.9Å
251A98.3Very high96.5Very high11 Ų1122.6 Ų22.69%0.09111%0.113CC..SBendtrans-72.1-48-177.900000111.7P166 A167 E249 N270 V464 A470P166-A251 HydrophobicContact CB-CB 4.08Å; A167-A251 WeakPolarHBondContact O-CB 3.37Å; A167-A251 PolarHBondContact O-N 3.29Å; E249-A251 PolarHBondContact O-N 2.86Å; A251-N270 WeakPolarHBondContact O-CB 3.43Å; A251-V464 HydrophobicContact CB-CG1 4.11Å; A251-V464 HydrophobicContact CB-CG2 3.89Å; A251-A470 HydrophobicContact CB-CB 4.24Å
252I98.7Very high96.6Very high0 Ų021.6 Ų21.60%011%0.108CC..EExtended strand (participates in β ladder)trans-137.5141.8177.8-65.3-66.5000109.8V168 Y169 L254 N270 V272 W460 V464 A470 L473V168-I252 WeakPolarHBondContact CA-O 3.34Å; V168-I252 HydrophobicContact CG1-CB 4.45Å; V168-I252 HydrophobicContact CG2-CB 4.46Å; Y169-I252 PolarHBondContact N-O 2.99Å; I252-L254 HydrophobicContact CG2-CD2 3.77Å; I252-L254 HydrophobicContact CG2-CG 4.17Å; I252-N270 WeakPolarHBondContact CA-O 3.28Å; I252-N270 HydrophobicContact CD1-CB 4.22Å; I252-V272 HydrophobicContact CG2-CG2 3.93Å; I252-W460 HydrophobicContact CD1-CD2 4.13Å; I252-W460 HydrophobicContact CD1-CE3 3.43Å; I252-W460 VanDerWaalsContact CD1-CE3 3.43Å; I252-W460 HydrophobicContact CD1-CH2 4.49Å; I252-W460 HydrophobicContact CD1-CZ3 3.65Å; I252-W460 HydrophobicContact CG1-CE3 3.9Å; I252-W460 HydrophobicContact CG2-CB 4.13Å; I252-W460 HydrophobicContact CG2-CG 4.43Å; I252-V464 HydrophobicContact CB-CG2 4.28Å; I252-V464 HydrophobicContact CG1-CG2 3.56Å; I252-A470 HydrophobicContact CD1-CB 4.19Å; I252-A470 HydrophobicContact CG1-CB 4.41Å; I252-L473 HydrophobicContact CD1-CD1 3.69Å
253W98.6Very high96.6Very high0 Ų021.3 Ų21.30%010%0.102CC..EExtended strand (participates in β ladder)trans-111.9102.7173.4-62.373.5000109.6P151 Y169 L171 D179 A182 N183 I247 L255 N270 M271 V272P151-W253 HydrophobicContact CG-CZ3 3.92Å; Y169-W253 AromaticContact CD2-CD2 3.65Å; Y169-W253 HydrophobicContact CD2-CD2 3.65Å; Y169-W253 AromaticContact CD2-CE2 3.45Å; Y169-W253 VanDerWaalsContact CD2-CE2 3.45Å; Y169-W253 AromaticContact CD2-CE3 3.87Å; Y169-W253 HydrophobicContact CD2-CE3 3.87Å; Y169-W253 HydrophobicContact CD2-CG 4.35Å; Y169-W253 AromaticContact CD2-CH2 3.81Å; Y169-W253 HydrophobicContact CD2-CH2 3.81Å; Y169-W253 AromaticContact CD2-CZ2 3.58Å; Y169-W253 HydrophobicContact CD2-CZ2 3.58Å; Y169-W253 AromaticContact CD2-CZ3 3.93Å; Y169-W253 HydrophobicContact CD2-CZ3 3.93Å; Y169-W253 AromaticContact CD2-NE1 3.98Å; Y169-W253 HydrophobicContact CE2-CH2 4.06Å; Y169-W253 AromaticContact CE2-CZ2 3.76Å; Y169-W253 HydrophobicContact CE2-CZ2 3.76Å; Y169-W253 HydrophobicContact CG-CD2 4.32Å; Y169-W253 HydrophobicContact CG-CE3 4.23Å; Y169-W253 HydrophobicContact CG-CZ3 4.36Å; Y169-W253 CarbonylContact O-C 3.6Å; L171-W253 HydrophobicContact CD1-CE3 3.78Å; L171-W253 HydrophobicContact CD1-CZ3 3.79Å; L171-W253 HydrophobicContact CD2-CE3 3.88Å; D179-W253 HydrophobicContact CB-CE3 4.01Å; D179-W253 HydrophobicContact CB-CH2 4.23Å; D179-W253 HydrophobicContact CB-CZ3 3.54Å; A182-W253 HydrophobicContact CB-CH2 4.23Å; A182-W253 HydrophobicContact CB-CZ2 4.25Å; N183-W253 VanDerWaalsContact ND2-CD2 3.33Å; N183-W253 VanDerWaalsContact ND2-CZ2 3.31Å; N183-W253 WeakPolarHBondContact ND2-CZ2 3.45Å; N183-W253 PolarHBondContact ND2-NE1 2.94Å; N183-W253 VanDerWaalsContact ND2-NE1 3.14Å; N183-W253 PolarHBondContact OD1-NE1 3.09Å; I247-W253 HydrophobicContact CB-CH2 4.13Å; I247-W253 HydrophobicContact CB-CZ2 4.49Å; I247-W253 HydrophobicContact CD1-CH2 4.06Å; I247-W253 HydrophobicContact CG1-CH2 4.09Å; I247-W253 WeakPolarHBondContact O-CZ2 3.29Å; W253-L255 HydrophobicContact CB-CD2 4.44Å; W253-L255 PolarHBondContact O-N 2.89Å; W253-N270 PolarHBondContact N-O 3.31Å; W253-M271 HydrophobicContact CB-CG 4.2Å; W253-M271 HydrophobicContact CG-CG 4.5Å; W253-V272 PolarHBondContact O-N 2.79Å
254L98.7Very high96.5Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-80.896.3172.6-57.8179.2000109.6L45 V168 Y169 F170 L171 I252 V272 I274 A457 W460L45-L254 HydrophobicContact CD2-CD1 3.86Å; V168-L254 HydrophobicContact CG1-CD1 3.6Å; V168-L254 HydrophobicContact CG1-CG 3.8Å; Y169-L254 WeakPolarHBondContact O-CA 3.32Å; Y169-L254 WeakPolarHBondContact O-CB 3.45Å; Y169-L254 PolarHBondContact O-N 3.4Å; F170-L254 HydrophobicContact CD2-CB 4.14Å; F170-L254 HydrophobicContact CD2-CD1 4.21Å; L171-L254 PolarHBondContact N-O 2.99Å; L171-L254 VanDerWaalsContact N-O 3.09Å; I252-L254 HydrophobicContact CG2-CD2 3.77Å; I252-L254 HydrophobicContact CG2-CG 4.17Å; L254-V272 HydrophobicContact CD2-CB 4.09Å; L254-V272 HydrophobicContact CD2-CG1 4.34Å; L254-I274 HydrophobicContact CB-CD1 3.68Å; L254-I274 HydrophobicContact CB-CG1 4.09Å; L254-I274 HydrophobicContact CD2-CG2 4.34Å; L254-A457 HydrophobicContact CD1-CB 4.04Å; L254-W460 HydrophobicContact CD2-CB 4.11Å
255L97.9Very high96.5Very high0 Ų021.6 Ų21.60%011%0.11CC..EExtended strand (participates in β ladder)trans-84.3116.8-177.9-59.2176.5000110.4L171 W253 Y257 L267 M271 V272 L273 I274L171-L255 HydrophobicContact CD2-CD2 3.71Å; L171-L255 HydrophobicContact CG-CD2 4.17Å; L171-L255 CarbonylContact O-C 3.52Å; L171-L255 WeakPolarHBondContact O-CA 3.42Å; W253-L255 HydrophobicContact CB-CD2 4.44Å; W253-L255 PolarHBondContact O-N 2.89Å; L255-Y257 HydrophobicContact CB-CD1 4Å; L255-Y257 HydrophobicContact CB-CE1 3.77Å; L255-Y257 HydrophobicContact CD1-CE1 4.04Å; L255-Y257 HydrophobicContact CD2-CE1 4.13Å; L255-Y257 HydrophobicContact CG-CE1 4.21Å; L255-Y257 PolarHBondContact O-N 2.97Å; L255-L267 HydrophobicContact CD1-CD2 3.99Å; L255-M271 HydrophobicContact CD1-CB 3.92Å; L255-M271 HydrophobicContact CD1-CE 3.8Å; L255-M271 HydrophobicContact CD2-CE 4.14Å; L255-M271 HydrophobicContact CG-CE 4.48Å; L255-V272 PolarHBondContact N-O 2.71Å; L255-L273 HydrophobicContact CB-CD2 4.04Å; L255-L273 HydrophobicContact CD1-CD2 3.78Å; L255-I274 WeakPolarHBondContact O-CG1 3.4Å; L255-I274 PolarHBondContact O-N 3.28Å
256R96.1Very high96.5Very high12 Ų1219.2 Ų19.25%0.04510%0.103CC..SBendtrans-71.734.2178.5-67.6-168.7-81.2128.60.4114.1F170 L171 I274 H375 Y378F170-R256 HydrophobicContact CD1-CG 4.39Å; F170-R256 HydrophobicContact CE1-CG 3.9Å; F170-R256 HydrophobicContact CE2-CG 4.33Å; F170-R256 HydrophobicContact CZ-CG 3.86Å; L171-R256 PolarHBondContact O-N 3.4Å; R256-I274 HydrophobicContact CG-CD1 4.23Å; R256-H375 PolarHBondContact NH1-NE2 2.99Å; R256-Y378 WeakPolarHBondContact O-CE2 3.41Å
257Y96Very high96.5Very high1 Ų121.6 Ų21.60%0.00412%0.115CC..  trans-143.9167.3172.167.9-89.4000112.4R172 L255 D262 K265 L273 G275 Y378R172-Y257 VanDerWaalsContact O-CD1 3.31Å; R172-Y257 WeakPolarHBondContact O-CD1 3.48Å; R172-Y257 WeakPolarHBondContact O-CE1 3.13Å; L255-Y257 HydrophobicContact CB-CD1 4Å; L255-Y257 HydrophobicContact CB-CE1 3.77Å; L255-Y257 HydrophobicContact CD1-CE1 4.04Å; L255-Y257 HydrophobicContact CD2-CE1 4.13Å; L255-Y257 HydrophobicContact CG-CE1 4.21Å; L255-Y257 PolarHBondContact O-N 2.97Å; Y257-D262 HydrophobicContact CD2-CB 3.55Å; Y257-D262 HydrophobicContact CE2-CB 4.06Å; Y257-D262 HydrophobicContact CG-CB 4.26Å; Y257-K265 WeakPolarHBondContact OH-CE 3.33Å; Y257-K265 PolarHBondContact OH-NZ 2.96Å; Y257-L273 HydrophobicContact CD2-CD2 4.17Å; Y257-L273 HydrophobicContact CE2-CD2 3.93Å; Y257-L273 WeakPolarHBondContact O-CB 3.2Å; Y257-L273 WeakPolarHBondContact O-CD2 3.38Å; Y257-G275 PolarHBondContact O-N 3.09Å; Y257-Y378 WeakPolarHBondContact CA-OH 3.18Å
258D95.9Very high96.5Very high21 Ų2122.8 Ų22.811%0.11212%0.121CC..  trans-135.9-172.1164.163.430.3000109.7V260 F261 D262 Y378 H446D258-V260 WeakPolarHBondContact OD1-CA 3.36Å; D258-V260 VanDerWaalsContact OD1-CB 3.29Å; D258-V260 WeakPolarHBondContact OD1-CB 3.46Å; D258-V260 PolarHBondContact OD1-N 2.85Å; D258-F261 PolarHBondContact OD1-N 2.82Å; D258-F261 VanDerWaalsContact OD1-N 3.17Å; D258-D262 WeakPolarHBondContact O-CB 3.3Å; D258-D262 PolarHBondContact O-N 3.2Å; D258-Y378 PolarHBondContact N-OH 2.66Å; D258-Y378 PolarHBondContact OD1-OH 3.26Å; D258-H446 IonicContact OD2-CE1 3.76Å; D258-H446 PolarHBondContact OD2-CE1 2.81Å; D258-H446 IonicContact OD2-ND1 3.33Å; D258-H446 PolarHBondContact OD2-ND1 3.09Å
259F95.7Very high96.5Very high70 Ų7025.4 Ų25.431%0.30714%0.138SC..THydrogen-bonded Turntrans-89-5.8-177.6-56.9-51.2000114.9D262 W263 P264 K265 L267 L273 R406F259-D262 CarbonylContact C-O 3.52Å; F259-D262 WeakPolarHBondContact CA-O 3.43Å; F259-D262 VanDerWaalsContact O-O 3.07Å; F259-W263 WeakPolarHBondContact CD1-O 3.45Å; F259-W263 WeakPolarHBondContact CE1-O 3.37Å; F259-P264 HydrophobicContact CB-CG 4.39Å; F259-K265 HydrophobicContact CE1-CG 4.27Å; F259-L267 HydrophobicContact CE2-CD1 4.19Å; F259-L267 HydrophobicContact CZ-CD1 3.72Å; F259-L267 HydrophobicContact CZ-CG 4.2Å; F259-L273 HydrophobicContact CD2-CD1 4.15Å; F259-L273 HydrophobicContact CE2-CD1 3.8Å; F259-L273 HydrophobicContact CZ-CD1 4.15Å; F259-R406 PolarHBondContact O-NH2 3.32Å; F259-R406 VanDerWaalsContact O-NH2 3.11Å
260V94.4Very high96.6Very high19 Ų1922.1 Ų22.112%0.11512%0.122CC..THydrogen-bonded Turntrans-64.9-38.9164.5171.40000108.4D258 I381 R406 L442 I445 H446D258-V260 WeakPolarHBondContact OD1-CA 3.36Å; D258-V260 VanDerWaalsContact OD1-CB 3.29Å; D258-V260 WeakPolarHBondContact OD1-CB 3.46Å; D258-V260 PolarHBondContact OD1-N 2.85Å; V260-I381 HydrophobicContact CG1-CG2 4.11Å; V260-R406 PolarHBondContact O-NE 3.04Å; V260-R406 PolarHBondContact O-NH2 3.49Å; V260-L442 HydrophobicContact CB-CD1 4.31Å; V260-L442 HydrophobicContact CG1-CD1 3.32Å; V260-L442 HydrophobicContact CG1-CD2 4.09Å; V260-L442 HydrophobicContact CG1-CG 3.36Å; V260-I445 HydrophobicContact CG2-CB 4.39Å; V260-I445 HydrophobicContact CG2-CG2 3.75Å; V260-H446 HydrophobicContact CB-CB 4.3Å; V260-H446 HydrophobicContact CG1-CB 3.91Å; V260-H446 HydrophobicContact CG2-CB 4.08Å
261F94.8Very high96.7Very high0 Ų022.4 Ų22.40%012%0.123CC..THydrogen-bonded Turntrans-91-52.3175.7175.6-142.3000113.9D258 I377 Y378 I381 N399 R402 M403 R406D258-F261 PolarHBondContact OD1-N 2.82Å; D258-F261 VanDerWaalsContact OD1-N 3.17Å; F261-I377 HydrophobicContact CD2-CG2 3.79Å; F261-I377 HydrophobicContact CE2-CD1 3.73Å; F261-I377 HydrophobicContact CE2-CG2 3.78Å; F261-I377 HydrophobicContact CG-CG2 4.35Å; F261-I377 HydrophobicContact CZ-CD1 3.92Å; F261-I377 HydrophobicContact CZ-CG2 4.29Å; F261-Y378 HydrophobicContact CB-CE1 4.2Å; F261-Y378 HydrophobicContact CB-CE2 4.47Å; F261-Y378 WeakPolarHBondContact CB-OH 3.48Å; F261-Y378 AromaticContact CD1-CE2 3.72Å; F261-Y378 HydrophobicContact CD1-CE2 3.72Å; F261-Y378 AromaticContact CD1-CZ 3.82Å; F261-Y378 WeakPolarHBondContact CD1-OH 3.38Å; F261-Y378 HydrophobicContact CE1-CE2 4.34Å; F261-Y378 HydrophobicContact CG-CE2 4.41Å; F261-I381 HydrophobicContact CB-CD1 4.36Å; F261-N399 HydrophobicContact CE2-CB 4.09Å; F261-N399 HydrophobicContact CZ-CB 3.8Å; F261-N399 VanDerWaalsContact CZ-CG 3.5Å; F261-N399 VanDerWaalsContact CZ-OD1 3.28Å; F261-N399 WeakPolarHBondContact CZ-OD1 3.41Å; F261-R402 WeakPolarHBondContact O-CD 3.46Å; F261-M403 HydrophobicContact CD2-SD 3.96Å; F261-M403 HydrophobicContact CE2-CG 4.47Å; F261-M403 HydrophobicContact CE2-SD 4.38Å; F261-R406 VanDerWaalsContact O-CZ 3.31Å; F261-R406 PolarHBondContact O-NH1 2.93Å; F261-R406 PolarHBondContact O-NH2 2.85Å
262D94.9Very high96.7Very high5 Ų522.4 Ų22.43%0.02712%0.122CC..SBendtrans-91.3172.5-173.2-141.6-32.4000112.6R172 Y257 D258 F259 R402 R406R172-D262 IonicContact CZ-OD2 3.81Å; R172-D262 VanDerWaalsContact CZ-OD2 3.32Å; R172-D262 IonicContact NH1-OD2 3.61Å; R172-D262 PolarHBondContact NH1-OD2 3.04Å; R172-D262 IonicContact NH2-OD2 2.7Å; R172-D262 PolarHBondContact NH2-OD2 3.3Å; Y257-D262 HydrophobicContact CD2-CB 3.55Å; Y257-D262 HydrophobicContact CE2-CB 4.06Å; Y257-D262 HydrophobicContact CG-CB 4.26Å; D258-D262 WeakPolarHBondContact O-CB 3.3Å; D258-D262 PolarHBondContact O-N 3.2Å; F259-D262 CarbonylContact C-O 3.52Å; F259-D262 WeakPolarHBondContact CA-O 3.43Å; F259-D262 VanDerWaalsContact O-O 3.07Å; D262-R402 IonicContact OD1-CZ 3.2Å; D262-R402 VanDerWaalsContact OD1-CZ 3.24Å; D262-R402 IonicContact OD1-NE 2.82Å; D262-R402 PolarHBondContact OD1-NE 2.95Å; D262-R402 IonicContact OD1-NH2 3.72Å; D262-R402 PolarHBondContact OD1-NH2 2.72Å; D262-R402 IonicContact OD2-NH2 3.97Å; D262-R406 PolarHBondContact O-NH2 2.7Å
263W95.6Very high96.6Very high21 Ų2124.6 Ų24.68%0.0813%0.133CC..PPolyproline II helixtrans-79135.9175.4-60.3122000111.1P193 T200 D201 F259 K265 R402P193-W263 HydrophobicContact CG-CG 4.09Å; T200-W263 HydrophobicContact CG2-CH2 4.06Å; T200-W263 HydrophobicContact CG2-CZ2 3.97Å; D201-W263 HydrophobicContact CB-CB 4.11Å; D201-W263 HydrophobicContact CB-CD2 4.22Å; D201-W263 HydrophobicContact CB-CE3 4.18Å; D201-W263 HydrophobicContact CB-CG 4.21Å; D201-W263 VanDerWaalsContact CG-CE3 3.42Å; D201-W263 VanDerWaalsContact OD1-CE3 3.23Å; D201-W263 WeakPolarHBondContact OD1-CZ3 3.27Å; F259-W263 WeakPolarHBondContact CD1-O 3.45Å; F259-W263 WeakPolarHBondContact CE1-O 3.37Å; W263-K265 PolarHBondContact O-N 3.08Å; W263-R402 HydrophobicContact CD2-CG 4.48Å; W263-R402 HydrophobicContact CZ2-CB 4.47Å; W263-R402 HydrophobicContact CZ2-CG 3.95Å
264P95.1Very high96.6Very high65 Ų6524.6 Ų24.642%0.42213%0.133SC..PPolyproline II helixtrans-53.2127.9173.1-26.735000112.4F259F259-P264 HydrophobicContact CB-CG 4.39Å
265K95.3Very high96.4Very high39 Ų3924.7 Ų24.717%0.1713%0.134CC..  trans-153.8163.9178.867.5-178.1-179.5-177.50111.6V192 Y257 F259 W263V192-K265 HydrophobicContact CG1-CD 4.29Å; V192-K265 HydrophobicContact CG2-CB 3.96Å; Y257-K265 WeakPolarHBondContact OH-CE 3.33Å; Y257-K265 PolarHBondContact OH-NZ 2.96Å; F259-K265 HydrophobicContact CE1-CG 4.27Å; W263-K265 PolarHBondContact O-N 3.08Å
266P96.3Very high96.2Very high39 Ų3924.9 Ų24.925%0.25314%0.136SC..  trans-61.6148.3176.3-2135.7000111C185 P186 Y191C185-P266 PolarHBondContact SG-O 3.23Å; P186-P266 HydrophobicContact CB-CB 4.12Å; P186-P266 HydrophobicContact CB-CG 4.15Å; Y191-P266 VanDerWaalsContact OH-CD 3.23Å; Y191-P266 WeakPolarHBondContact OH-CD 3.28Å; Y191-P266 WeakPolarHBondContact OH-CG 3.33Å
267L96.8Very high96.1Very high52 Ų5224.5 Ų24.527%0.27214%0.135SC..  trans-135149.8175.9-66174.9000109.6L255 F259 M271 L273L255-L267 HydrophobicContact CD1-CD2 3.99Å; F259-L267 HydrophobicContact CE2-CD1 4.19Å; F259-L267 HydrophobicContact CZ-CD1 3.72Å; F259-L267 HydrophobicContact CZ-CG 4.2Å; L267-M271 HydrophobicContact CB-CB 4.47Å; L267-M271 HydrophobicContact CD2-CB 4.5Å; L267-M271 HydrophobicContact CD2-CE 4.41Å; L267-M271 HydrophobicContact CD2-SD 4.45Å; L267-L273 HydrophobicContact CD1-CD1 3.8Å; L267-L273 HydrophobicContact CD1-CD2 3.72Å; L267-L273 HydrophobicContact CD1-CG 3.83Å
268M97.2Very high95.8Very high25 Ų2525.2 Ų25.212%0.12314%0.139CC..  trans-83.8155.6172.4-73.8-65.5165.800111.7N183 K184 C185 P186 N270 M271 V475N183-M268 HydrophobicContact CB-CG 4.25Å; N183-M268 WeakPolarHBondContact O-CG 3.33Å; K184-M268 VanDerWaalsContact O-CE 3.26Å; K184-M268 WeakPolarHBondContact O-CE 3.27Å; C185-M268 HydrophobicContact CB-CE 4.4Å; C185-M268 HydrophobicContact CB-CG 3.8Å; P186-M268 VanDerWaalsContact CD-CE 3.41Å; P186-M268 HydrophobicContact CG-CE 4.47Å; M268-N270 VanDerWaalsContact CB-OD1 3.27Å; M268-N270 WeakPolarHBondContact CB-OD1 3.41Å; M268-N270 PolarHBondContact O-N 3.03Å; M268-N270 VanDerWaalsContact O-N 3.1Å; M268-M271 HydrophobicContact CB-CG 3.98Å; M268-M271 HydrophobicContact CB-SD 3.94Å; M268-M271 HydrophobicContact CG-SD 4.43Å; M268-M271 WeakPolarHBondContact O-CB 2.87Å; M268-M271 PolarHBondContact O-N 3.05Å; M268-V475 HydrophobicContact CE-CG1 4.36Å; M268-V475 HydrophobicContact CE-CG2 3.91Å; M268-V475 HydrophobicContact SD-CB 4.12Å; M268-V475 HydrophobicContact SD-CG1 3.41Å; M268-V475 WeakPolarHBondContact SD-CG1 3.3Å; M268-V475 HydrophobicContact SD-CG2 3.61Å
269P97.8Very high95.4Very high71 Ų7125 Ų2546%0.46114%0.138SC..THydrogen-bonded Turntrans-58.8-25.3-177.3-25.735.4000114.9M271 L473P269-M271 VanDerWaalsContact C-N 3.35Å; P269-L473 HydrophobicContact CB-CB 4.16Å; P269-L473 HydrophobicContact CB-CD2 3.98Å
270N98.1Very high94.1Very high9 Ų924.4 Ų24.45%0.04815%0.147CC..THydrogen-bonded Turntrans-87.62.4176.169.3-30000113.8N183 A251 I252 W253 M268 L473N183-N270 PolarHBondContact OD1-ND2 3.38Å; N183-N270 PolarHBondContact OD1-OD1 2.83Å; A251-N270 WeakPolarHBondContact O-CB 3.43Å; I252-N270 WeakPolarHBondContact CA-O 3.28Å; I252-N270 HydrophobicContact CD1-CB 4.22Å; W253-N270 PolarHBondContact N-O 3.31Å; M268-N270 VanDerWaalsContact CB-OD1 3.27Å; M268-N270 WeakPolarHBondContact CB-OD1 3.41Å; M268-N270 PolarHBondContact O-N 3.03Å; M268-N270 VanDerWaalsContact O-N 3.1Å; N270-L473 HydrophobicContact CB-CB 3.96Å; N270-L473 HydrophobicContact CB-CD1 4.38Å
271M98.3Very high92.6Very high11 Ų1129.6 Ų29.65%0.05417%0.168CC..EExtended strand (participates in β ladder)trans-102.2109.3179.4-60.1-17980.900110.1I180 N183 C185 W253 L255 L267 M268 P269I180-M271 HydrophobicContact CD1-CE 3.79Å; N183-M271 HydrophobicContact CB-SD 4.07Å; C185-M271 HydrophobicContact CB-SD 4.16Å; W253-M271 HydrophobicContact CB-CG 4.2Å; W253-M271 HydrophobicContact CG-CG 4.5Å; L255-M271 HydrophobicContact CD1-CB 3.92Å; L255-M271 HydrophobicContact CD1-CE 3.8Å; L255-M271 HydrophobicContact CD2-CE 4.14Å; L255-M271 HydrophobicContact CG-CE 4.48Å; L267-M271 HydrophobicContact CB-CB 4.47Å; L267-M271 HydrophobicContact CD2-CB 4.5Å; L267-M271 HydrophobicContact CD2-CE 4.41Å; L267-M271 HydrophobicContact CD2-SD 4.45Å; M268-M271 HydrophobicContact CB-CG 3.98Å; M268-M271 HydrophobicContact CB-SD 3.94Å; M268-M271 HydrophobicContact CG-SD 4.43Å; M268-M271 WeakPolarHBondContact O-CB 2.87Å; M268-M271 PolarHBondContact O-N 3.05Å; P269-M271 VanDerWaalsContact C-N 3.35Å
272V98.3Very high91.3Very high11 Ų1134.8 Ų34.87%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-110.5124.3-170.9-178.30000109.8I252 W253 L254 L255 I274 L456 W460I252-V272 HydrophobicContact CG2-CG2 3.93Å; W253-V272 PolarHBondContact O-N 2.79Å; L254-V272 HydrophobicContact CD2-CB 4.09Å; L254-V272 HydrophobicContact CD2-CG1 4.34Å; L255-V272 PolarHBondContact N-O 2.71Å; V272-I274 HydrophobicContact CG1-CG2 4.23Å; V272-L456 HydrophobicContact CG1-CD1 4.34Å; V272-L456 HydrophobicContact CG1-CD2 3.7Å; V272-L456 HydrophobicContact CG1-CG 3.81Å; V272-W460 HydrophobicContact CG1-CG 4.43Å; V272-W460 HydrophobicContact CG2-CD2 3.93Å; V272-W460 HydrophobicContact CG2-CG 3.94Å; V272-W460 HydrophobicContact CG2-CZ2 4.21Å
273L97.8Very high90.8Very high45 Ų4537.1 Ų37.124%0.23622%0.22CC..EExtended strand (participates in β ladder)trans-80.1120.6178.2-57.7179000110.5L255 Y257 F259 L267 L456L255-L273 HydrophobicContact CB-CD2 4.04Å; L255-L273 HydrophobicContact CD1-CD2 3.78Å; Y257-L273 HydrophobicContact CD2-CD2 4.17Å; Y257-L273 HydrophobicContact CE2-CD2 3.93Å; Y257-L273 WeakPolarHBondContact O-CB 3.2Å; Y257-L273 WeakPolarHBondContact O-CD2 3.38Å; F259-L273 HydrophobicContact CD2-CD1 4.15Å; F259-L273 HydrophobicContact CE2-CD1 3.8Å; F259-L273 HydrophobicContact CZ-CD1 4.15Å; L267-L273 HydrophobicContact CD1-CD1 3.8Å; L267-L273 HydrophobicContact CD1-CD2 3.72Å; L267-L273 HydrophobicContact CD1-CG 3.83Å; L273-L456 WeakPolarHBondContact O-CD2 3.13Å
274I97.4Very high90.4Very high1 Ų142 Ų421%0.00525%0.254CS..  trans-127.235.3177.758.4152.3000110.8F170 L254 L255 R256 V272 I277 P453 L456 A457F170-I274 HydrophobicContact CD2-CD1 3.72Å; F170-I274 HydrophobicContact CE2-CD1 3.33Å; F170-I274 HydrophobicContact CZ-CD1 4.2Å; L254-I274 HydrophobicContact CB-CD1 3.68Å; L254-I274 HydrophobicContact CB-CG1 4.09Å; L254-I274 HydrophobicContact CD2-CG2 4.34Å; L255-I274 WeakPolarHBondContact O-CG1 3.4Å; L255-I274 PolarHBondContact O-N 3.28Å; R256-I274 HydrophobicContact CG-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG2 4.23Å; I274-I277 HydrophobicContact CD1-CD1 4Å; I274-I277 PolarHBondContact O-N 3.49Å; I274-P453 HydrophobicContact CB-CB 4.21Å; I274-L456 HydrophobicContact CG2-CD2 4.35Å; I274-L456 HydrophobicContact CG2-CG 4.46Å; I274-A457 HydrophobicContact CD1-CB 4.36Å; I274-A457 HydrophobicContact CG2-CB 4.08Å
275G95.8Very high90.2Very high2 Ų239.9 Ų39.92%0.02124%0.239CC..THydrogen-bonded Turntrans-54.7136.9172.600000111.6Y257 H446 R449 P453Y257-G275 PolarHBondContact O-N 3.09Å; G275-H446 PolarHBondContact O-CE1 3.2Å; G275-R449 PolarHBondContact O-NH1 3.27Å; G275-P453 WeakPolarHBondContact O-CG 3.34Å
276G93.8Very high90.1Very high3 Ų341.7 Ų41.73%0.03126%0.255CS..THydrogen-bonded Turntrans77.419.318000000115.5N278 C279 Y378G276-N278 PolarHBondContact O-N 2.82Å; G276-C279 VanDerWaalsContact CA-SG 3.53Å; G276-C279 WeakPolarHBondContact O-CB 3.4Å; G276-C279 PolarHBondContact O-N 3.15Å; G276-C279 PolarHBondContact O-SG 2.66Å; G276-Y378 VanDerWaalsContact CA-CD1 3.46Å; G276-Y378 VanDerWaalsContact N-CD1 3.26Å
277I93.4Very high90Very high5 Ų543.7 Ų43.73%0.02628%0.275CS..THydrogen-bonded Turntrans-55.4-23.3175.8-163.9168.9000114.1F170 I274 P453 L454 A457F170-I277 HydrophobicContact CE2-CD1 3.93Å; F170-I277 HydrophobicContact CZ-CD1 4.33Å; F170-I277 HydrophobicContact CZ-CG2 4.41Å; I274-I277 HydrophobicContact CD1-CD1 4Å; I274-I277 PolarHBondContact O-N 3.49Å; I277-P453 HydrophobicContact CB-CB 4.16Å; I277-L454 HydrophobicContact CD1-CD1 4.11Å; I277-L454 HydrophobicContact CG1-CB 4.1Å; I277-L454 HydrophobicContact CG1-CD1 4.27Å; I277-A457 HydrophobicContact CD1-CB 4.09Å
278N89.3Confident89.8Confident15 Ų1547.4 Ų47.48%0.0829%0.291CS..THydrogen-bonded Turntrans-92.12.2176.761.5-52.4000114.6I44 G276 H375 E379I44-N278 HydrophobicContact CD1-CB 3.76Å; G276-N278 PolarHBondContact O-N 2.82Å; N278-H375 PolarHBondContact ND2-O 3.3Å; N278-E379 WeakPolarHBondContact ND2-CG 3.44Å; N278-E379 PolarHBondContact ND2-OE1 3.14Å
279C86.9Confident89.7Confident16 Ų1646.4 Ų46.411%0.10829%0.286CS..  trans-72.4-33.9179.9-65.80000113G276 K281 N357 Y378 C382G276-C279 VanDerWaalsContact CA-SG 3.53Å; G276-C279 WeakPolarHBondContact O-CB 3.4Å; G276-C279 PolarHBondContact O-N 3.15Å; G276-C279 PolarHBondContact O-SG 2.66Å; C279-K281 PolarHBondContact O-N 2.89Å; C279-N357 PolarHBondContact O-ND2 2.77Å; C279-N357 VanDerWaalsContact O-ND2 3.11Å; C279-Y378 PolarHBondContact SG-O 2.92Å; C279-C382 HydrophobicContact CB-CB 3.49Å; C279-C382 VanDerWaalsContact CB-CB 3.49Å; C279-C382 WeakPolarHBondContact CB-SG 3.49Å; C279-C382 WeakPolarHBondContact SG-CB 3.4Å; C279-C382 CovalentContact SG-SG 2Å; C279-C382 PolarHBondContact SG-SG 3.23Å
280A68.8Low89.5Confident59 Ų5947.9 Ų47.949%0.48829%0.285SS..  trans-79.991.4-179.100000110.6
281K63.3Low89.4Confident127 Ų12754.3 Ų54.355%0.55232%0.315SS*.  trans179.1114.3154.9-98.8156.7-151.8-175.10109.4C279 N357C279-K281 PolarHBondContact O-N 2.89Å; K281-N357 PolarHBondContact O-ND2 3.39Å
282T67.4Low89.3Confident109 Ų10955.1 Ų55.167%0.66932%0.318SS*.  trans-114.493.1166.355.20000108.3D358 A361T282-D358 WeakPolarHBondContact CA-OD1 3.47Å; T282-A361 HydrophobicContact CG2-CB 3.91Å
283A83.4Confident89.1Confident54 Ų5454.6 Ų54.645%0.44632%0.315SS..PPolyproline II helixtrans-80.1147.316400000109L285 D358A283-L285 PolarHBondContact O-N 3.05Å; A283-D358 PolarHBondContact N-OD1 3.12Å
284P87.3Confident89Confident123 Ų12355 Ų5580%0.79932%0.317SS*.PPolyproline II helixtrans-61.1137.5171.326.1-32.8000109.9
285L92.3Very high88.9Confident21 Ų2157.7 Ų57.711%0.1134%0.34CS..PPolyproline II helixtrans-60.9143175.1-66.6176.6000110.3A283 A287 L289 K290 V293 P355 D358 L359A283-L285 PolarHBondContact O-N 3.05Å; L285-A287 PolarHBondContact O-N 2.64Å; L285-L289 HydrophobicContact CD2-CD2 4.23Å; L285-K290 HydrophobicContact CB-CB 4.18Å; L285-V293 HydrophobicContact CD1-CG2 3.93Å; L285-P355 HydrophobicContact CD2-CG 4.16Å; L285-D358 HydrophobicContact CD2-CB 3.64Å; L285-L359 HydrophobicContact CD1-CD2 3.98Å; L285-L359 HydrophobicContact CD2-CD2 3.81Å; L285-L359 HydrophobicContact CD2-CG 3.98Å
286P93.4Very high88.8Confident77 Ų7758 Ų5850%0.534%0.342SS..PPolyproline II helixtrans-52.5141.8169.6-25.334.1000111E288 L289 K290P286-E288 VanDerWaalsContact C-N 3.28Å; P286-E288 PolarHBondContact O-N 3.24Å; P286-E288 VanDerWaalsContact O-N 3.15Å; P286-L289 HydrophobicContact CB-CB 4.44Å; P286-L289 WeakPolarHBondContact O-CA 3.46Å; P286-L289 WeakPolarHBondContact O-CB 3.42Å; P286-L289 PolarHBondContact O-N 3.49Å; P286-K290 PolarHBondContact O-N 3.13Å
287A93.3Very high88.8Confident82 Ų8259.6 Ų59.668%0.67836%0.358SS*.Hα-helixtrans-51.3-44.8-171.500000113.4L285 L289 K290 E291L285-A287 PolarHBondContact O-N 2.64Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.03Å; A287-K290 WeakPolarHBondContact O-CB 3.45Å; A287-K290 PolarHBondContact O-N 2.91Å; A287-E291 WeakPolarHBondContact O-CB 3.26Å; A287-E291 PolarHBondContact O-N 3.37Å
288E93.1Very high88.9Confident130 Ų13066.8 Ų66.861%0.60740%0.397SS*.Hα-helixtrans-63.2-35.2178.3-166.7-160.315400113P286 F292 K349P286-E288 VanDerWaalsContact C-N 3.28Å; P286-E288 PolarHBondContact O-N 3.24Å; P286-E288 VanDerWaalsContact O-N 3.15Å; E288-F292 WeakPolarHBondContact O-CB 3.29Å; E288-F292 PolarHBondContact O-N 3.37Å; E288-K349 VanDerWaalsContact CD-NZ 3.32Å; E288-K349 IonicContact OE1-NZ 2.68Å; E288-K349 PolarHBondContact OE1-NZ 3.32Å
289L94.6Very high89.3Confident4 Ų469.5 Ų69.52%0.02141%0.411CS..Hα-helixtrans-77.3-39.3178.7-159.363.2000110.4L285 P286 A287 F292 V293 I333 K349 M351 P355 L359L285-L289 HydrophobicContact CD2-CD2 4.23Å; P286-L289 HydrophobicContact CB-CB 4.44Å; P286-L289 WeakPolarHBondContact O-CA 3.46Å; P286-L289 WeakPolarHBondContact O-CB 3.42Å; P286-L289 PolarHBondContact O-N 3.49Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 PolarHBondContact O-N 3.03Å; L289-F292 PolarHBondContact O-N 3.12Å; L289-V293 WeakPolarHBondContact O-CG2 3.43Å; L289-V293 PolarHBondContact O-N 3.23Å; L289-I333 HydrophobicContact CD1-CD1 3.78Å; L289-I333 HydrophobicContact CD1-CG1 4.41Å; L289-I333 HydrophobicContact CD1-CG2 4.4Å; L289-I333 HydrophobicContact CG-CD1 4.2Å; L289-K349 HydrophobicContact CD1-CD 3.9Å; L289-M351 HydrophobicContact CD1-CE 4.33Å; L289-M351 HydrophobicContact CD1-SD 3.63Å; L289-M351 HydrophobicContact CD2-CE 4.29Å; L289-M351 HydrophobicContact CD2-SD 4.19Å; L289-P355 HydrophobicContact CD2-CG 3.53Å; L289-L359 HydrophobicContact CD2-CD1 4.27Å; L289-L359 HydrophobicContact CD2-CD2 3.8Å; L289-L359 HydrophobicContact CD2-CG 4.21Å; L289-L359 HydrophobicContact CG-CD2 4.06Å
290K94.2Very high89.8Confident102 Ų10268.7 Ų68.744%0.44341%0.406SS..Hα-helixtrans-59.3-50.4173.9-171.1-179.3-175.4-59.20111.3L285 P286 A287 F292 V293 D294L285-K290 HydrophobicContact CB-CB 4.18Å; P286-K290 PolarHBondContact O-N 3.13Å; A287-K290 WeakPolarHBondContact O-CB 3.45Å; A287-K290 PolarHBondContact O-N 2.91Å; K290-F292 VanDerWaalsContact C-N 3.27Å; K290-F292 PolarHBondContact O-N 3.03Å; K290-V293 VanDerWaalsContact O-CG2 3.26Å; K290-V293 WeakPolarHBondContact O-CG2 3.36Å; K290-V293 PolarHBondContact O-N 3.37Å; K290-D294 WeakPolarHBondContact CG-OD2 3.33Å; K290-D294 IonicContact NZ-OD2 3.39Å; K290-D294 PolarHBondContact NZ-OD2 3.3Å; K290-D294 WeakPolarHBondContact O-CB 3.44Å; K290-D294 VanDerWaalsContact O-CG 3.31Å; K290-D294 PolarHBondContact O-N 3.39Å
291E95.4Very high91.2Very high144 Ų14465.9 Ų65.967%0.67338%0.383SS*.Hα-helixtrans-58-42.5176.3-175-178.1176.600111.3A287 A295A287-E291 WeakPolarHBondContact O-CB 3.26Å; A287-E291 PolarHBondContact O-N 3.37Å; E291-A295 WeakPolarHBondContact O-CB 3.27Å; E291-A295 PolarHBondContact O-N 3.23Å; E291-A295 VanDerWaalsContact O-N 3.17Å
292F95.8Very high92.9Very high28 Ų2859.9 Ų59.912%0.12336%0.356CS..Hα-helixtrans-63.5-44.5176.9-174.6-97000112.4E288 L289 K290 R331 I333 K349E288-F292 WeakPolarHBondContact O-CB 3.29Å; E288-F292 PolarHBondContact O-N 3.37Å; L289-F292 PolarHBondContact O-N 3.12Å; K290-F292 VanDerWaalsContact C-N 3.27Å; K290-F292 PolarHBondContact O-N 3.03Å; F292-R331 HydrophobicContact CE1-CB 3.77Å; F292-R331 HydrophobicContact CE1-CG 4.33Å; F292-R331 HydrophobicContact CZ-CB 3.97Å; F292-R331 HydrophobicContact CZ-CG 4.17Å; F292-R331 WeakPolarHBondContact O-CD 3.47Å; F292-R331 PolarHBondContact O-NE 3.34Å; F292-R331 PolarHBondContact O-NH1 2.8Å; F292-I333 HydrophobicContact CD1-CD1 4.21Å; F292-I333 HydrophobicContact CD1-CG1 3.93Å; F292-I333 HydrophobicContact CE1-CG1 3.86Å; F292-K349 HydrophobicContact CB-CD 4.15Å; F292-K349 HydrophobicContact CD1-CB 4.03Å; F292-K349 HydrophobicContact CD1-CD 3.96Å; F292-K349 HydrophobicContact CD2-CB 4.4Å; F292-K349 HydrophobicContact CD2-CD 4.18Å; F292-K349 HydrophobicContact CE1-CB 3.6Å; F292-K349 HydrophobicContact CE1-CD 4.39Å; F292-K349 HydrophobicContact CE2-CB 4.02Å; F292-K349 HydrophobicContact CG-CB 4.41Å; F292-K349 HydrophobicContact CG-CD 3.82Å; F292-K349 HydrophobicContact CZ-CB 3.59Å
293V95.7Very high94.4Very high0 Ų054.7 Ų54.70%032%0.324CS..Hα-helixtrans-74.5-32.5179.2-61.60000112.8L285 L289 K290 S296 F301 I333 L359L285-V293 HydrophobicContact CD1-CG2 3.93Å; L289-V293 WeakPolarHBondContact O-CG2 3.43Å; L289-V293 PolarHBondContact O-N 3.23Å; K290-V293 VanDerWaalsContact O-CG2 3.26Å; K290-V293 WeakPolarHBondContact O-CG2 3.36Å; K290-V293 PolarHBondContact O-N 3.37Å; V293-S296 VanDerWaalsContact O-CB 3.24Å; V293-S296 WeakPolarHBondContact O-CB 3.3Å; V293-S296 PolarHBondContact O-N 3.13Å; V293-S296 PolarHBondContact O-OG 2.94Å; V293-F301 HydrophobicContact CB-CD1 3.73Å; V293-F301 HydrophobicContact CB-CE1 3.7Å; V293-F301 HydrophobicContact CB-CG 4.2Å; V293-F301 HydrophobicContact CB-CZ 4.15Å; V293-F301 HydrophobicContact CG1-CD1 3.88Å; V293-F301 HydrophobicContact CG1-CD2 3.89Å; V293-F301 HydrophobicContact CG1-CE1 3.82Å; V293-F301 HydrophobicContact CG1-CE2 3.82Å; V293-F301 HydrophobicContact CG1-CG 3.91Å; V293-F301 HydrophobicContact CG1-CZ 3.77Å; V293-F301 HydrophobicContact CG2-CE1 4.4Å; V293-I333 HydrophobicContact CG1-CD1 3.31Å; V293-I333 HydrophobicContact CG1-CG1 4.5Å; V293-L359 HydrophobicContact CG1-CD2 4.12Å
294D94.4Very high95.1Very high53 Ų5352.1 Ų52.128%0.28330%0.303SS..Hα-helixtrans-69.4-39-178.2-79.2-23.8000112.3K290 S296 G297 H362 K364K290-D294 WeakPolarHBondContact CG-OD2 3.33Å; K290-D294 IonicContact NZ-OD2 3.39Å; K290-D294 PolarHBondContact NZ-OD2 3.3Å; K290-D294 WeakPolarHBondContact O-CB 3.44Å; K290-D294 VanDerWaalsContact O-CG 3.31Å; K290-D294 PolarHBondContact O-N 3.39Å; D294-S296 PolarHBondContact O-N 2.99Å; D294-G297 PolarHBondContact O-N 3.01Å; D294-H362 IonicContact OD1-CE1 3.41Å; D294-H362 PolarHBondContact OD1-CE1 2.9Å; D294-H362 IonicContact OD1-NE2 3.71Å; D294-H362 PolarHBondContact OD1-NE2 3.29Å; D294-K364 PolarHBondContact O-NZ 3.36Å
295A94.9Very high95.6Very high58 Ų5846.3 Ų46.348%0.47927%0.266SS..THydrogen-bonded Turntrans-74.611.1177.500000113.6E291 G297 R331E291-A295 WeakPolarHBondContact O-CB 3.27Å; E291-A295 PolarHBondContact O-N 3.23Å; E291-A295 VanDerWaalsContact O-N 3.17Å; A295-G297 PolarHBondContact O-N 3.3Å; A295-R331 VanDerWaalsContact C-CZ 3.41Å; A295-R331 VanDerWaalsContact CB-CZ 3.43Å; A295-R331 VanDerWaalsContact O-CZ 3.23Å; A295-R331 PolarHBondContact O-NE 2.64Å; A295-R331 VanDerWaalsContact O-NE 3.16Å; A295-R331 PolarHBondContact O-NH2 3.36Å
296S95.6Very high95.7Very high8 Ų845.5 Ų45.56%0.05626%0.262CS..THydrogen-bonded Turntrans-76.1-2.316866.30000114.6V293 D294 D299 G300V293-S296 VanDerWaalsContact O-CB 3.24Å; V293-S296 WeakPolarHBondContact O-CB 3.3Å; V293-S296 PolarHBondContact O-N 3.13Å; V293-S296 PolarHBondContact O-OG 2.94Å; D294-S296 PolarHBondContact O-N 2.99Å; S296-D299 PolarHBondContact O-N 2.78Å; S296-G300 VanDerWaalsContact CB-O 3.29Å; S296-G300 WeakPolarHBondContact CB-O 3.18Å; S296-G300 PolarHBondContact O-N 3.27Å; S296-G300 WeakPolarHBondContact OG-CA 3.41Å
297G93.8Very high95.6Very high37 Ų3742.2 Ų42.238%0.38124%0.242SC..THydrogen-bonded Turntrans60.4-140.7178.600000112.6D294 A295 K364D294-G297 PolarHBondContact O-N 3.01Å; A295-G297 PolarHBondContact O-N 3.3Å; G297-K364 PolarHBondContact O-NZ 3.37Å
298D94.8Very high95.2Very high156 Ų15639.7 Ų39.783%0.83422%0.219SC*.THydrogen-bonded Turntrans-84.3-22.6178.3-65.3-29.9000112.7G300 K366D298-G300 PolarHBondContact O-N 3.03Å; D298-K366 PolarHBondContact O-NZ 3.35Å
299D96.8Very high94.8Very high71 Ų7135.4 Ų35.438%0.3820%0.2SC..THydrogen-bonded Turntrans-61.7-32.9177.1-66.6-54.5000111.5S296 P329 Q330 K366S296-D299 PolarHBondContact O-N 2.78Å; D299-P329 HydrophobicContact CB-CB 4.21Å; D299-P329 HydrophobicContact CB-CG 4.24Å; D299-Q330 WeakPolarHBondContact O-CG 3.26Å; D299-Q330 PolarHBondContact O-NE2 3.23Å; D299-K366 WeakPolarHBondContact O-CE 3.33Å; D299-K366 WeakPolarHBondContact O-CG 3.32Å
300G97.9Very high94.4Very high0 Ų035.3 Ų35.30%020%0.199CC..  trans72.4-163.7179.600000113S296 D298 Q330 R331 K364S296-G300 VanDerWaalsContact CB-O 3.29Å; S296-G300 WeakPolarHBondContact CB-O 3.18Å; S296-G300 PolarHBondContact O-N 3.27Å; S296-G300 WeakPolarHBondContact OG-CA 3.41Å; D298-G300 PolarHBondContact O-N 3.03Å; G300-Q330 WeakPolarHBondContact O-CA 3.27Å; G300-R331 PolarHBondContact O-N 2.94Å; G300-K364 WeakPolarHBondContact CA-O 3.44Å
301F98.6Very high94.1Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-137.1161.8-17574.9-83.5000114V293 V303 R331 I333 L359 H362 K364 A365 K366V293-F301 HydrophobicContact CB-CD1 3.73Å; V293-F301 HydrophobicContact CB-CE1 3.7Å; V293-F301 HydrophobicContact CB-CG 4.2Å; V293-F301 HydrophobicContact CB-CZ 4.15Å; V293-F301 HydrophobicContact CG1-CD1 3.88Å; V293-F301 HydrophobicContact CG1-CD2 3.89Å; V293-F301 HydrophobicContact CG1-CE1 3.82Å; V293-F301 HydrophobicContact CG1-CE2 3.82Å; V293-F301 HydrophobicContact CG1-CG 3.91Å; V293-F301 HydrophobicContact CG1-CZ 3.77Å; V293-F301 HydrophobicContact CG2-CE1 4.4Å; F301-V303 HydrophobicContact CD2-CG2 4.12Å; F301-V303 HydrophobicContact CE2-CG2 3.59Å; F301-R331 CarbonylContact C-O 3.59Å; F301-R331 WeakPolarHBondContact CA-O 3.48Å; F301-R331 HydrophobicContact CB-CB 4Å; F301-R331 VanDerWaalsContact CB-O 3.3Å; F301-R331 WeakPolarHBondContact CB-O 3.16Å; F301-I333 HydrophobicContact CD2-CD1 4.14Å; F301-I333 HydrophobicContact CE2-CD1 4.22Å; F301-L359 HydrophobicContact CE2-CB 4.35Å; F301-L359 HydrophobicContact CE2-CD2 4.06Å; F301-L359 HydrophobicContact CZ-CD2 4.35Å; F301-L359 VanDerWaalsContact CZ-O 3.32Å; F301-L359 WeakPolarHBondContact CZ-O 3.42Å; F301-H362 HydrophobicContact CE1-CB 3.9Å; F301-H362 AromaticContact CE1-CG 3.93Å; F301-H362 AromaticContact CE1-ND1 3.59Å; F301-H362 HydrophobicContact CZ-CB 3.77Å; F301-K364 HydrophobicContact CD1-CB 3.81Å; F301-K364 WeakPolarHBondContact CD1-O 3.45Å; F301-K364 VanDerWaalsContact CE1-C 3.49Å; F301-K364 HydrophobicContact CE1-CB 3.88Å; F301-K364 PolarHBondContact N-O 2.85Å; F301-A365 HydrophobicContact CE1-CB 4.16Å; F301-A365 HydrophobicContact CE2-CB 4.34Å; F301-A365 HydrophobicContact CZ-CB 3.88Å; F301-K366 PolarHBondContact O-N 3.01Å
302I98.8Very high93.8Very high0 Ų027.8 Ų27.80%017%0.17CC..EExtended strand (participates in β ladder)trans-112.9136.7-179.3-62.1163.6000108.6I328 Q330 R331 V332 I333 V367 M369 L426 I430I302-I328 HydrophobicContact CD1-CD1 3.5Å; I302-I328 VanDerWaalsContact CD1-CD1 3.5Å; I302-Q330 HydrophobicContact CD1-CB 3.77Å; I302-Q330 HydrophobicContact CD1-CG 4.19Å; I302-Q330 HydrophobicContact CG1-CB 4.03Å; I302-Q330 HydrophobicContact CG1-CG 4.3Å; I302-R331 PolarHBondContact N-O 3.42Å; I302-V332 HydrophobicContact CB-CG2 4.34Å; I302-V332 HydrophobicContact CD1-CG2 4.27Å; I302-V332 WeakPolarHBondContact O-CA 3.44Å; I302-I333 PolarHBondContact O-N 3.48Å; I302-V367 WeakPolarHBondContact CA-O 3.45Å; I302-V367 HydrophobicContact CG1-CB 4.3Å; I302-V367 HydrophobicContact CG2-CB 4.48Å; I302-M369 HydrophobicContact CG2-CB 4.46Å; I302-M369 HydrophobicContact CG2-CG 3.73Å; I302-M369 HydrophobicContact CG2-SD 3.58Å; I302-M369 VanDerWaalsContact CG2-SD 3.58Å; I302-L426 HydrophobicContact CD1-CD1 4.35Å; I302-L426 HydrophobicContact CD1-CD2 3.88Å; I302-I430 HydrophobicContact CD1-CD1 4.36Å
303V98.6Very high93.7Very high0 Ų027.1 Ų27.10%017%0.168CC..EExtended strand (participates in β ladder)trans-102.5126169.9-177.60000107.9F301 L354 Q356 L359 L360 V367 F368 M369F301-V303 HydrophobicContact CD2-CG2 4.12Å; F301-V303 HydrophobicContact CE2-CG2 3.59Å; V303-L354 HydrophobicContact CG1-CD1 4.01Å; V303-Q356 HydrophobicContact CG1-CG 4.48Å; V303-L359 HydrophobicContact CG1-CD1 4.42Å; V303-L359 HydrophobicContact CG2-CB 3.78Å; V303-L359 HydrophobicContact CG2-CD1 4.44Å; V303-L360 HydrophobicContact CB-CD2 4.1Å; V303-L360 HydrophobicContact CG2-CD2 4.01Å; V303-V367 PolarHBondContact N-O 3.05Å; V303-V367 VanDerWaalsContact N-O 3.11Å; V303-F368 HydrophobicContact CB-CD2 4.08Å; V303-F368 HydrophobicContact CG1-CD2 4.1Å; V303-F368 HydrophobicContact CG1-CE2 4.16Å; V303-F368 WeakPolarHBondContact O-CD2 3.48Å; V303-M369 PolarHBondContact O-N 2.86Å
304F98.4Very high93.5Very high0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-125.8125.1179.7-177.6-153.8000112.6L306 M313 F321 F325 V332 I333 W334 R335 M369 F390F304-L306 HydrophobicContact CE2-CD2 3.87Å; F304-L306 HydrophobicContact CE2-CG 4.12Å; F304-L306 HydrophobicContact CZ-CD2 4.37Å; F304-L306 HydrophobicContact CZ-CG 4.37Å; F304-M313 HydrophobicContact CZ-CE 4.26Å; F304-F321 HydrophobicContact CD1-CD1 4.36Å; F304-F321 AromaticContact CE1-CD1 3.47Å; F304-F321 HydrophobicContact CE1-CD1 3.47Å; F304-F321 VanDerWaalsContact CE1-CD1 3.47Å; F304-F321 AromaticContact CE1-CE1 3.68Å; F304-F321 HydrophobicContact CE1-CE1 3.68Å; F304-F321 AromaticContact CE1-CG 3.94Å; F304-F321 HydrophobicContact CE1-CG 3.94Å; F304-F321 HydrophobicContact CE1-CZ 4.29Å; F304-F321 HydrophobicContact CE2-CE1 4.33Å; F304-F321 AromaticContact CZ-CD1 3.79Å; F304-F321 HydrophobicContact CZ-CD1 3.79Å; F304-F321 AromaticContact CZ-CE1 3.46Å; F304-F321 HydrophobicContact CZ-CE1 3.46Å; F304-F321 VanDerWaalsContact CZ-CE1 3.46Å; F304-F321 HydrophobicContact CZ-CE2 4.39Å; F304-F321 HydrophobicContact CZ-CG 4.4Å; F304-F321 AromaticContact CZ-CZ 3.8Å; F304-F321 HydrophobicContact CZ-CZ 3.8Å; F304-F325 HydrophobicContact CD1-CE2 4.08Å; F304-F325 AromaticContact CD1-CZ 3.74Å; F304-F325 HydrophobicContact CD1-CZ 3.74Å; F304-F325 HydrophobicContact CE1-CZ 4.2Å; F304-V332 HydrophobicContact CB-CG1 4.48Å; F304-I333 PolarHBondContact N-O 3.35Å; F304-W334 HydrophobicContact CB-CB 4.27Å; F304-W334 HydrophobicContact CB-CG 4.23Å; F304-W334 HydrophobicContact CD1-CB 4.29Å; F304-W334 AromaticContact CD1-CD1 3.28Å; F304-W334 AromaticContact CD1-CD2 3.57Å; F304-W334 HydrophobicContact CD1-CD2 3.57Å; F304-W334 AromaticContact CD1-CE2 3.5Å; F304-W334 VanDerWaalsContact CD1-CE2 3.5Å; F304-W334 HydrophobicContact CD1-CE3 4.34Å; F304-W334 AromaticContact CD1-CG 3.5Å; F304-W334 HydrophobicContact CD1-CG 3.5Å; F304-W334 VanDerWaalsContact CD1-CG 3.5Å; F304-W334 HydrophobicContact CD1-CZ2 4.22Å; F304-W334 AromaticContact CD1-NE1 3.33Å; F304-W334 VanDerWaalsContact CD1-NE1 3.33Å; F304-W334 AromaticContact CE1-CD1 3.82Å; F304-W334 AromaticContact CE1-CD2 3.88Å; F304-W334 HydrophobicContact CE1-CD2 3.88Å; F304-W334 AromaticContact CE1-CE2 3.33Å; F304-W334 HydrophobicContact CE1-CG 4.2Å; F304-W334 HydrophobicContact CE1-CH2 4.34Å; F304-W334 AromaticContact CE1-CZ2 3.62Å; F304-W334 HydrophobicContact CE1-CZ2 3.62Å; F304-W334 AromaticContact CE1-NE1 3.33Å; F304-W334 VanDerWaalsContact CE1-NE1 3.33Å; F304-W334 AromaticContact CG-CD1 3.72Å; F304-W334 HydrophobicContact CG-CG 4.15Å; F304-W334 HydrophobicContact CZ-CZ2 4.49Å; F304-W334 WeakPolarHBondContact O-CA 3.21Å; F304-R335 PolarHBondContact O-N 2.86Å; F304-M369 WeakPolarHBondContact CA-O 3.33Å; F304-M369 HydrophobicContact CB-CB 3.86Å; F304-M369 HydrophobicContact CB-SD 4.26Å; F304-M369 HydrophobicContact CD1-CE 4.13Å; F304-M369 HydrophobicContact CD2-CB 3.35Å; F304-M369 HydrophobicContact CD2-CE 4.08Å; F304-M369 HydrophobicContact CD2-CG 4.49Å; F304-M369 WeakPolarHBondContact CD2-O 3.23Å; F304-M369 HydrophobicContact CE1-CE 4.23Å; F304-M369 HydrophobicContact CE2-CB 4.14Å; F304-M369 HydrophobicContact CE2-CE 4.19Å; F304-M369 HydrophobicContact CG-CB 3.81Å; F304-M369 HydrophobicContact CG-CE 4.08Å; F304-M369 HydrophobicContact CG-SD 4.22Å; F304-M369 HydrophobicContact CZ-CE 4.27Å; F304-F390 HydrophobicContact CE2-CD2 4.42Å; F304-F390 HydrophobicContact CE2-CE2 4.41Å
305T97.3Very high93.4Very high2 Ų233.2 Ų33.21%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-155.9146.5171.8-175.30000112.5G307 L354 F368 M369 T370T305-G307 VanDerWaalsContact C-N 3.34Å; T305-G307 PolarHBondContact OG1-N 2.9Å; T305-L354 HydrophobicContact CG2-CD1 4.49Å; T305-F368 HydrophobicContact CG2-CE2 3.69Å; T305-F368 HydrophobicContact CG2-CZ 3.94Å; T305-M369 PolarHBondContact N-O 3.02Å; T305-M369 VanDerWaalsContact N-O 3.09Å; T305-T370 WeakPolarHBondContact O-CA 3.25Å
306L94.9Very high93.3Very high4 Ų434.1 Ų34.12%0.02121%0.207CC..  trans-98.621.1172-61.5177.1000112.6F99 F304 V310 M313 H371 F390 L392F99-L306 HydrophobicContact CE1-CD1 4.27Å; F99-L306 HydrophobicContact CZ-CD1 4.31Å; F304-L306 HydrophobicContact CE2-CD2 3.87Å; F304-L306 HydrophobicContact CE2-CG 4.12Å; F304-L306 HydrophobicContact CZ-CD2 4.37Å; F304-L306 HydrophobicContact CZ-CG 4.37Å; L306-V310 CarbonylContact C-O 3.49Å; L306-V310 HydrophobicContact CB-CB 3.95Å; L306-V310 HydrophobicContact CB-CG1 3.93Å; L306-V310 WeakPolarHBondContact CB-O 3.46Å; L306-V310 HydrophobicContact CD1-CG1 4.02Å; L306-M313 HydrophobicContact CD1-CE 3.51Å; L306-H371 HydrophobicContact CB-CB 4.33Å; L306-H371 HydrophobicContact CD2-CB 3.99Å; L306-H371 PolarHBondContact O-CD2 3.33Å; L306-H371 VanDerWaalsContact O-CD2 3.3Å; L306-H371 VanDerWaalsContact O-CG 3.27Å; L306-F390 HydrophobicContact CD2-CB 4.35Å; L306-L392 HydrophobicContact CB-CD1 4.18Å; L306-L392 HydrophobicContact CD1-CD1 4.2Å; L306-L392 HydrophobicContact CD2-CD1 4.33Å; L306-L392 HydrophobicContact CG-CD1 4.47Å
307G91.1Very high93.1Very high8 Ų835.1 Ų35.18%0.08221%0.21CC..  trans83.9174175.700000113.9T305 M309 V310 R335 H371T305-G307 VanDerWaalsContact C-N 3.34Å; T305-G307 PolarHBondContact OG1-N 2.9Å; G307-M309 PolarHBondContact O-N 3.29Å; G307-M309 VanDerWaalsContact O-N 3.12Å; G307-V310 PolarHBondContact O-N 3.13Å; G307-R335 PolarHBondContact O-NH1 3.25Å; G307-H371 VanDerWaalsContact CA-CE1 3.43Å; G307-H371 WeakPolarHBondContact CA-CE1 3.29Å
308S84.7Confident93.2Very high29 Ų2933.5 Ų33.520%0.20319%0.193CC..THydrogen-bonded Turntrans-58.5-31.9-173.357.80000113.5R335S308-R335 PolarHBondContact O-NH2 2.96Å
309M84.6Confident93.2Very high40 Ų4031.6 Ų31.620%0.19718%0.177CC..THydrogen-bonded Turntrans-91.5-11.7-169.5-62.7-38.5-80.900114.3L65 F91 R95 G307 F393L65-M309 HydrophobicContact CD1-CE 4.43Å; F91-M309 HydrophobicContact CD1-CE 4.44Å; F91-M309 HydrophobicContact CD2-CE 3.81Å; F91-M309 HydrophobicContact CE1-CE 3.85Å; F91-M309 HydrophobicContact CE2-CB 4.48Å; F91-M309 HydrophobicContact CE2-CE 3.15Å; F91-M309 HydrophobicContact CG-CE 4.44Å; F91-M309 HydrophobicContact CZ-CB 3.84Å; F91-M309 HydrophobicContact CZ-CE 3.21Å; F91-M309 HydrophobicContact CZ-CG 4.26Å; F91-M309 HydrophobicContact CZ-SD 4.39Å; R95-M309 WeakPolarHBondContact CD-O 3.29Å; R95-M309 PolarHBondContact NE-O 3.34Å; R95-M309 PolarHBondContact NH1-O 3.24Å; G307-M309 PolarHBondContact O-N 3.29Å; G307-M309 VanDerWaalsContact O-N 3.12Å; M309-F393 HydrophobicContact CB-CZ 4.31Å
310V87.1Confident93.1Very high1 Ų130.5 Ų30.51%0.00617%0.17CC..  trans-134.8107.9175.7-178.40000108.2L98 F99 L306 G307 D312 R335 L392 F393L98-V310 HydrophobicContact CD1-CG2 4.11Å; F99-V310 HydrophobicContact CE2-CG1 4.46Å; F99-V310 HydrophobicContact CZ-CG1 3.93Å; L306-V310 CarbonylContact C-O 3.49Å; L306-V310 HydrophobicContact CB-CB 3.95Å; L306-V310 HydrophobicContact CB-CG1 3.93Å; L306-V310 WeakPolarHBondContact CB-O 3.46Å; L306-V310 HydrophobicContact CD1-CG1 4.02Å; G307-V310 PolarHBondContact O-N 3.13Å; V310-D312 WeakPolarHBondContact CG1-O 3.21Å; V310-R335 PolarHBondContact O-NH1 3.46Å; V310-L392 HydrophobicContact CB-CD1 4.17Å; V310-L392 HydrophobicContact CG1-CD1 4Å; V310-L392 HydrophobicContact CG2-CD1 3.98Å; V310-F393 HydrophobicContact CG2-CE1 3.81Å
311S86.6Confident93.1Very high26 Ų2630.5 Ų30.518%0.18217%0.17CC..  trans-115-6.9-177.158.20000113.5Y336 T337S311-Y336 CarbonylContact O-C 3.55Å; S311-Y336 VanDerWaalsContact O-CA 3.29Å; S311-Y336 WeakPolarHBondContact O-CA 3.43Å; S311-T337 WeakPolarHBondContact CB-OG1 3.19Å; S311-T337 PolarHBondContact O-N 3.37Å; S311-T337 PolarHBondContact O-OG1 3.06Å; S311-T337 PolarHBondContact OG-OG1 3.01Å
312D90.1Very high93Very high62 Ų6230.6 Ų30.633%0.33217%0.17SC..  trans-141168.6-176.859.4-13.6000110.4R95 V310R95-D312 IonicContact CZ-OD1 2.65Å; R95-D312 IonicContact NH2-OD1 2.64Å; R95-D312 PolarHBondContact NH2-OD1 3.19Å; V310-D312 WeakPolarHBondContact CG1-O 3.21Å
313M92.7Very high93Very high15 Ų1532.4 Ų32.47%0.07418%0.18CC..  trans-154.3163.4177.365.8-173.563.900109F99 F304 L306 K317 A318 F321 W334 Y336F99-M313 HydrophobicContact CD1-CB 4.27Å; F99-M313 HydrophobicContact CE1-CB 3.66Å; F99-M313 HydrophobicContact CE2-CB 4.08Å; F99-M313 HydrophobicContact CZ-CB 3.56Å; F304-M313 HydrophobicContact CZ-CE 4.26Å; L306-M313 HydrophobicContact CD1-CE 3.51Å; M313-K317 HydrophobicContact CG-CB 4.32Å; M313-K317 HydrophobicContact SD-CB 4.16Å; M313-A318 HydrophobicContact CG-CB 3.77Å; M313-A318 HydrophobicContact SD-CB 4.11Å; M313-F321 HydrophobicContact CE-CD2 4.24Å; M313-F321 HydrophobicContact CE-CE2 4.01Å; M313-F321 HydrophobicContact SD-CD2 3.57Å; M313-F321 VanDerWaalsContact SD-CD2 3.57Å; M313-F321 HydrophobicContact SD-CE2 3.61Å; M313-W334 HydrophobicContact CE-CZ2 3.8Å; M313-W334 HydrophobicContact SD-CZ2 4.2Å; M313-Y336 HydrophobicContact CG-CE2 4.18Å
314P92.2Very high92.9Very high59 Ų5932.4 Ų32.438%0.38318%0.18SC..  trans-53.5141.7175.3-26.735.5000112.1F99 A316 K317 A318F99-P314 HydrophobicContact CB-CG 4.12Å; F99-P314 HydrophobicContact CD2-CG 4.26Å; F99-P314 HydrophobicContact CG-CG 4.32Å; P314-A316 VanDerWaalsContact C-N 3.26Å; P314-A316 PolarHBondContact O-N 2.92Å; P314-K317 WeakPolarHBondContact O-CA 3.32Å; P314-K317 WeakPolarHBondContact O-CB 2.94Å; P314-K317 PolarHBondContact O-N 2.99Å; P314-A318 PolarHBondContact O-N 3.31Å
315E92.9Very high92.9Very high122 Ų12232.4 Ų32.457%0.5718%0.18SC*.Hα-helixtrans-53.7-43.2-174.9-169.7-168.4173.300112.1K317 A318 K319E315-K317 VanDerWaalsContact C-N 3.26Å; E315-K317 PolarHBondContact O-N 2.63Å; E315-A318 PolarHBondContact O-N 3.14Å; E315-K319 WeakPolarHBondContact O-CB 3.46Å; E315-K319 PolarHBondContact O-N 3.21Å
316A91.2Very high92.9Very high76 Ų7636.8 Ų36.863%0.62820%0.196SC*.Hα-helixtrans-58.4-36.9177.500000112.8P314P314-A316 VanDerWaalsContact C-N 3.26Å; P314-A316 PolarHBondContact O-N 2.92Å
317K92.7Very high93Very high30 Ų3041.6 Ų41.613%0.1322%0.219CC..Hα-helixtrans-75.3-45176-68.9-67.1-178.2173.20111.1M313 P314 E315 K319 Q320 F321 I414 F415M313-K317 HydrophobicContact CG-CB 4.32Å; M313-K317 HydrophobicContact SD-CB 4.16Å; P314-K317 WeakPolarHBondContact O-CA 3.32Å; P314-K317 WeakPolarHBondContact O-CB 2.94Å; P314-K317 PolarHBondContact O-N 2.99Å; E315-K317 VanDerWaalsContact C-N 3.26Å; E315-K317 PolarHBondContact O-N 2.63Å; K317-K319 PolarHBondContact O-N 3.19Å; K317-Q320 WeakPolarHBondContact O-CB 3.44Å; K317-Q320 PolarHBondContact O-N 3.38Å; K317-Q320 VanDerWaalsContact O-N 3.11Å; K317-F321 VanDerWaalsContact O-CD2 3.32Å; K317-F321 WeakPolarHBondContact O-CD2 3.48Å; K317-F321 PolarHBondContact O-N 2.82Å; K317-I414 PolarHBondContact NZ-O 3.12Å; K317-F415 PolarHBondContact NZ-O 2.63Å
318A95Very high93.4Very high2 Ų241.8 Ų41.82%0.01722%0.218CC..Hα-helixtrans-57-40.1175.900000111.5M313 P314 E315 Q320 F321 F322 W334 Y336M313-A318 HydrophobicContact CG-CB 3.77Å; M313-A318 HydrophobicContact SD-CB 4.11Å; P314-A318 PolarHBondContact O-N 3.31Å; E315-A318 PolarHBondContact O-N 3.14Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 3.44Å; A318-F321 WeakPolarHBondContact O-CB 3.36Å; A318-F321 PolarHBondContact O-N 3.35Å; A318-F321 VanDerWaalsContact O-N 3.12Å; A318-F322 HydrophobicContact CB-CD2 4.46Å; A318-F322 HydrophobicContact CB-CE2 4.21Å; A318-F322 WeakPolarHBondContact O-CD2 3.48Å; A318-F322 PolarHBondContact O-N 3.11Å; A318-W334 HydrophobicContact CB-CH2 4.28Å; A318-Y336 HydrophobicContact CB-CE2 4.1Å; A318-Y336 WeakPolarHBondContact CB-OH 3.2Å
319K94.8Very high94Very high116 Ų11643.7 Ų43.750%0.50423%0.229SC..Hα-helixtrans-57.4-42.1176.7-171-179.3-175.6-60.30112.5E315 K317 F321 F322 D323E315-K319 WeakPolarHBondContact O-CB 3.46Å; E315-K319 PolarHBondContact O-N 3.21Å; K317-K319 PolarHBondContact O-N 3.19Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.24Å; K319-F322 PolarHBondContact O-N 2.75Å; K319-D323 IonicContact NZ-OD1 3.07Å; K319-D323 IonicContact NZ-OD2 2.96Å; K319-D323 PolarHBondContact NZ-OD2 3.34Å; K319-D323 WeakPolarHBondContact O-CB 3.42Å; K319-D323 PolarHBondContact O-N 3.17Å
320Q95.5Very high94.6Very high48 Ų4841.9 Ų41.922%0.22422%0.22CC..Hα-helixtrans-60.4-40176.7-66.5175.6-29.700112K317 A318 D323 A324 M417K317-Q320 WeakPolarHBondContact O-CB 3.44Å; K317-Q320 PolarHBondContact O-N 3.38Å; K317-Q320 VanDerWaalsContact O-N 3.11Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 3.44Å; Q320-D323 PolarHBondContact O-N 3.38Å; Q320-A324 WeakPolarHBondContact O-CB 3.09Å; Q320-A324 PolarHBondContact O-N 3.03Å; Q320-M417 PolarHBondContact NE2-O 3.26Å; Q320-M417 PolarHBondContact OE1-O 3.06Å
321F97.1Very high95.2Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-65-47.4174.2-73.8-84.5000111.8F304 M313 K317 A318 K319 D323 A324 F325 W334 M369 F390 M417 L422F304-F321 HydrophobicContact CD1-CD1 4.36Å; F304-F321 AromaticContact CE1-CD1 3.47Å; F304-F321 HydrophobicContact CE1-CD1 3.47Å; F304-F321 VanDerWaalsContact CE1-CD1 3.47Å; F304-F321 AromaticContact CE1-CE1 3.68Å; F304-F321 HydrophobicContact CE1-CE1 3.68Å; F304-F321 AromaticContact CE1-CG 3.94Å; F304-F321 HydrophobicContact CE1-CG 3.94Å; F304-F321 HydrophobicContact CE1-CZ 4.29Å; F304-F321 HydrophobicContact CE2-CE1 4.33Å; F304-F321 AromaticContact CZ-CD1 3.79Å; F304-F321 HydrophobicContact CZ-CD1 3.79Å; F304-F321 AromaticContact CZ-CE1 3.46Å; F304-F321 HydrophobicContact CZ-CE1 3.46Å; F304-F321 VanDerWaalsContact CZ-CE1 3.46Å; F304-F321 HydrophobicContact CZ-CE2 4.39Å; F304-F321 HydrophobicContact CZ-CG 4.4Å; F304-F321 AromaticContact CZ-CZ 3.8Å; F304-F321 HydrophobicContact CZ-CZ 3.8Å; M313-F321 HydrophobicContact CE-CD2 4.24Å; M313-F321 HydrophobicContact CE-CE2 4.01Å; M313-F321 HydrophobicContact SD-CD2 3.57Å; M313-F321 VanDerWaalsContact SD-CD2 3.57Å; M313-F321 HydrophobicContact SD-CE2 3.61Å; K317-F321 VanDerWaalsContact O-CD2 3.32Å; K317-F321 WeakPolarHBondContact O-CD2 3.48Å; K317-F321 PolarHBondContact O-N 2.82Å; A318-F321 WeakPolarHBondContact O-CB 3.36Å; A318-F321 PolarHBondContact O-N 3.35Å; A318-F321 VanDerWaalsContact O-N 3.12Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.24Å; F321-D323 VanDerWaalsContact C-N 3.32Å; F321-D323 PolarHBondContact O-N 3.07Å; F321-A324 PolarHBondContact O-N 3.42Å; F321-F325 HydrophobicContact CB-CD2 4.49Å; F321-F325 HydrophobicContact CB-CE2 3.89Å; F321-F325 HydrophobicContact CB-CZ 4.14Å; F321-F325 AromaticContact CD1-CZ 3.95Å; F321-F325 HydrophobicContact CD1-CZ 3.95Å; F321-F325 WeakPolarHBondContact O-CD2 3.45Å; F321-F325 WeakPolarHBondContact O-CG 3.36Å; F321-F325 PolarHBondContact O-N 2.98Å; F321-W334 HydrophobicContact CB-CH2 3.7Å; F321-W334 HydrophobicContact CB-CZ2 4.45Å; F321-W334 HydrophobicContact CB-CZ3 3.94Å; F321-W334 HydrophobicContact CG-CH2 4.3Å; F321-M369 HydrophobicContact CD1-CE 3.86Å; F321-M369 HydrophobicContact CE1-CE 3.69Å; F321-F390 HydrophobicContact CE1-CE1 4.2Å; F321-F390 HydrophobicContact CE1-CE2 4.36Å; F321-F390 AromaticContact CE1-CZ 3.95Å; F321-F390 HydrophobicContact CE1-CZ 3.95Å; F321-F390 HydrophobicContact CZ-CD1 4.48Å; F321-F390 HydrophobicContact CZ-CE1 4.21Å; F321-F390 HydrophobicContact CZ-CZ 4.38Å; F321-M417 HydrophobicContact CD2-CE 4.07Å; F321-M417 HydrophobicContact CE1-CE 4.01Å; F321-M417 HydrophobicContact CE1-SD 4.23Å; F321-M417 HydrophobicContact CE2-CE 3.35Å; F321-M417 HydrophobicContact CZ-CE 3.31Å; F321-M417 HydrophobicContact CZ-SD 3.96Å; F321-L422 HydrophobicContact CB-CD2 4.38Å; F321-L422 HydrophobicContact CD1-CD1 4.49Å; F321-L422 HydrophobicContact CD1-CD2 3.34Å; F321-L422 HydrophobicContact CE1-CD1 4.24Å; F321-L422 HydrophobicContact CE1-CD2 3.75Å; F321-L422 HydrophobicContact CG-CD2 3.98Å
322F97.6Very high95.7Very high2 Ų243.6 Ų43.61%0.00922%0.223CC..Hα-helixtrans-59.3-42.9176.1-72.6-65000112.1A318 K319 A324 F325 R326 W334 Y336 P341 V344 P345 V348 L350A318-F322 HydrophobicContact CB-CD2 4.46Å; A318-F322 HydrophobicContact CB-CE2 4.21Å; A318-F322 WeakPolarHBondContact O-CD2 3.48Å; A318-F322 PolarHBondContact O-N 3.11Å; K319-F322 PolarHBondContact O-N 2.75Å; F322-A324 VanDerWaalsContact C-N 3.33Å; F322-A324 PolarHBondContact O-N 3.36Å; F322-F325 PolarHBondContact O-N 3.26Å; F322-R326 WeakPolarHBondContact O-CG 3.25Å; F322-R326 PolarHBondContact O-N 3.35Å; F322-R326 VanDerWaalsContact O-N 3.16Å; F322-R326 PolarHBondContact O-NH1 3.27Å; F322-R326 VanDerWaalsContact O-NH1 3.09Å; F322-W334 HydrophobicContact CD1-CE3 4.5Å; F322-W334 AromaticContact CD1-CZ3 3.92Å; F322-W334 HydrophobicContact CD1-CZ3 3.92Å; F322-W334 HydrophobicContact CD2-CH2 4.41Å; F322-W334 HydrophobicContact CD2-CZ3 4.04Å; F322-W334 AromaticContact CE1-CE3 3.98Å; F322-W334 HydrophobicContact CE1-CE3 3.98Å; F322-W334 AromaticContact CE1-CZ3 3.61Å; F322-W334 HydrophobicContact CE1-CZ3 3.61Å; F322-W334 HydrophobicContact CE2-CH2 4.03Å; F322-W334 AromaticContact CE2-CZ3 3.71Å; F322-W334 HydrophobicContact CE2-CZ3 3.71Å; F322-W334 HydrophobicContact CG-CZ3 4.13Å; F322-W334 HydrophobicContact CZ-CE3 4.09Å; F322-W334 HydrophobicContact CZ-CH2 4.16Å; F322-W334 AromaticContact CZ-CZ3 3.48Å; F322-W334 HydrophobicContact CZ-CZ3 3.48Å; F322-W334 VanDerWaalsContact CZ-CZ3 3.48Å; F322-Y336 HydrophobicContact CE2-CE1 4.48Å; F322-Y336 HydrophobicContact CZ-CE1 4.42Å; F322-P341 HydrophobicContact CD1-CG 4.42Å; F322-P341 HydrophobicContact CD2-CG 3.67Å; F322-P341 HydrophobicContact CE1-CG 4.35Å; F322-P341 HydrophobicContact CE2-CG 3.62Å; F322-P341 HydrophobicContact CG-CG 4.1Å; F322-P341 HydrophobicContact CZ-CG 3.97Å; F322-V344 HydrophobicContact CE1-CG1 4.13Å; F322-P345 HydrophobicContact CB-CG 4.34Å; F322-P345 HydrophobicContact CD1-CG 4.18Å; F322-P345 WeakPolarHBondContact O-CG 3.38Å; F322-V348 HydrophobicContact CE1-CG1 4.2Å; F322-L350 HydrophobicContact CE1-CD1 4.3Å; F322-L350 HydrophobicContact CE1-CD2 4.05Å; F322-L350 HydrophobicContact CZ-CD1 4.09Å; F322-L350 HydrophobicContact CZ-CD2 4.18Å
323D97.1Very high96.1Very high39 Ų3940.6 Ų40.621%0.20921%0.207CC..Hα-helixtrans-64.8-37.4178.6-68.1-12.6000111.6K319 Q320 F321 R326 Q327 T419K319-D323 IonicContact NZ-OD1 3.07Å; K319-D323 IonicContact NZ-OD2 2.96Å; K319-D323 PolarHBondContact NZ-OD2 3.34Å; K319-D323 WeakPolarHBondContact O-CB 3.42Å; K319-D323 PolarHBondContact O-N 3.17Å; Q320-D323 PolarHBondContact O-N 3.38Å; F321-D323 VanDerWaalsContact C-N 3.32Å; F321-D323 PolarHBondContact O-N 3.07Å; D323-R326 PolarHBondContact O-N 2.89Å; D323-R326 IonicContact OD1-CZ 3.65Å; D323-R326 IonicContact OD1-NH1 2.62Å; D323-R326 PolarHBondContact OD1-NH1 3.33Å; D323-Q327 PolarHBondContact O-NE2 3.31Å; D323-T419 HydrophobicContact CB-CG2 3.81Å
324A97.9Very high96.4Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-69-42.3175.600000111.3Q320 F321 F322 R326 Q327 T419 L422 V423Q320-A324 WeakPolarHBondContact O-CB 3.09Å; Q320-A324 PolarHBondContact O-N 3.03Å; F321-A324 PolarHBondContact O-N 3.42Å; F322-A324 VanDerWaalsContact C-N 3.33Å; F322-A324 PolarHBondContact O-N 3.36Å; A324-R326 PolarHBondContact O-N 3.01Å; A324-Q327 WeakPolarHBondContact O-CB 3.44Å; A324-Q327 PolarHBondContact O-N 2.9Å; A324-T419 HydrophobicContact CB-CG2 4Å; A324-L422 HydrophobicContact CB-CB 4.13Å; A324-L422 HydrophobicContact CB-CD2 3.46Å; A324-L422 VanDerWaalsContact CB-CD2 3.46Å; A324-L422 HydrophobicContact CB-CG 3.77Å; A324-V423 HydrophobicContact CB-CG2 3.76Å
325F98.3Very high96.6Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-65.2-25.5179.5-59.7-28.6000112.8F304 F321 F322 Q327 I328 V332 W334 N347 V348 M369 L426F304-F325 HydrophobicContact CD1-CE2 4.08Å; F304-F325 AromaticContact CD1-CZ 3.74Å; F304-F325 HydrophobicContact CD1-CZ 3.74Å; F304-F325 HydrophobicContact CE1-CZ 4.2Å; F321-F325 HydrophobicContact CB-CD2 4.49Å; F321-F325 HydrophobicContact CB-CE2 3.89Å; F321-F325 HydrophobicContact CB-CZ 4.14Å; F321-F325 AromaticContact CD1-CZ 3.95Å; F321-F325 HydrophobicContact CD1-CZ 3.95Å; F321-F325 WeakPolarHBondContact O-CD2 3.45Å; F321-F325 WeakPolarHBondContact O-CG 3.36Å; F321-F325 PolarHBondContact O-N 2.98Å; F322-F325 PolarHBondContact O-N 3.26Å; F325-Q327 PolarHBondContact O-N 2.88Å; F325-I328 HydrophobicContact CD1-CD1 3.98Å; F325-I328 WeakPolarHBondContact O-CG1 3.5Å; F325-V332 HydrophobicContact CB-CG2 4.21Å; F325-V332 HydrophobicContact CD1-CG1 4.45Å; F325-V332 HydrophobicContact CD1-CG2 3.86Å; F325-V332 HydrophobicContact CD2-CB 4.47Å; F325-V332 HydrophobicContact CD2-CG1 4.1Å; F325-V332 HydrophobicContact CD2-CG2 4.37Å; F325-V332 HydrophobicContact CE1-CG1 4.24Å; F325-V332 HydrophobicContact CE1-CG2 4.32Å; F325-V332 HydrophobicContact CE2-CG1 3.87Å; F325-V332 HydrophobicContact CG-CB 4.47Å; F325-V332 HydrophobicContact CG-CG1 4.4Å; F325-V332 HydrophobicContact CG-CG2 3.89Å; F325-V332 HydrophobicContact CZ-CG1 3.94Å; F325-W334 HydrophobicContact CD2-CE3 4.29Å; F325-W334 HydrophobicContact CD2-CZ3 4.43Å; F325-W334 HydrophobicContact CE2-CD2 4.32Å; F325-W334 AromaticContact CE2-CE3 3.68Å; F325-W334 HydrophobicContact CE2-CE3 3.68Å; F325-W334 AromaticContact CE2-CZ3 3.92Å; F325-W334 HydrophobicContact CE2-CZ3 3.92Å; F325-N347 PolarHBondContact O-ND2 3.44Å; F325-N347 PolarHBondContact O-OD1 3.19Å; F325-V348 HydrophobicContact CB-CG2 3.63Å; F325-V348 HydrophobicContact CD2-CG2 3.8Å; F325-V348 HydrophobicContact CG-CG2 4.09Å; F325-M369 HydrophobicContact CE1-CE 3.96Å; F325-M369 HydrophobicContact CE1-SD 3.78Å; F325-M369 HydrophobicContact CZ-CE 3.88Å; F325-M369 HydrophobicContact CZ-SD 3.97Å; F325-L426 HydrophobicContact CD1-CD1 4.46Å; F325-L426 HydrophobicContact CE1-CD1 4.26Å
326R97Very high96.8Very high94 Ų9432.7 Ų32.736%0.35516%0.163SC..THydrogen-bonded Turntrans-65.3-23.1171-69.5-176.6-170.788.5-15.6113.5F322 D323 A324 D343 P345F322-R326 WeakPolarHBondContact O-CG 3.25Å; F322-R326 PolarHBondContact O-N 3.35Å; F322-R326 VanDerWaalsContact O-N 3.16Å; F322-R326 PolarHBondContact O-NH1 3.27Å; F322-R326 VanDerWaalsContact O-NH1 3.09Å; D323-R326 PolarHBondContact O-N 2.89Å; D323-R326 IonicContact OD1-CZ 3.65Å; D323-R326 IonicContact OD1-NH1 2.62Å; D323-R326 PolarHBondContact OD1-NH1 3.33Å; A324-R326 PolarHBondContact O-N 3.01Å; R326-D343 IonicContact CZ-OD2 2.64Å; R326-D343 VanDerWaalsContact NH2-CG 3.33Å; R326-D343 PolarHBondContact NH2-O 3.16Å; R326-D343 IonicContact NH2-OD1 3.86Å; R326-D343 IonicContact NH2-OD2 3.68Å; R326-D343 PolarHBondContact NH2-OD2 2.99Å; R326-P345 HydrophobicContact CG-CB 3.76Å; R326-P345 HydrophobicContact CG-CG 3.52Å
327Q97.9Very high96.9Very high104 Ų10432.1 Ų32.149%0.48615%0.152SC..THydrogen-bonded Turntrans-95.61-172.4-60.2-178.842.300113.6D323 A324 F325 T419 V423D323-Q327 PolarHBondContact O-NE2 3.31Å; A324-Q327 WeakPolarHBondContact O-CB 3.44Å; A324-Q327 PolarHBondContact O-N 2.9Å; F325-Q327 PolarHBondContact O-N 2.88Å; Q327-T419 VanDerWaalsContact NE2-CG2 3.29Å; Q327-V423 HydrophobicContact CB-CG2 4.01Å
328I97.8Very high96.9Very high12 Ų1231.6 Ų31.66%0.06216%0.155CC..  trans-119.9145.8-178.666.9179.6000110.4I302 F325 Q330 V332 N347 V423 L426I302-I328 HydrophobicContact CD1-CD1 3.5Å; I302-I328 VanDerWaalsContact CD1-CD1 3.5Å; F325-I328 HydrophobicContact CD1-CD1 3.98Å; F325-I328 WeakPolarHBondContact O-CG1 3.5Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 HydrophobicContact CD1-CB 4.31Å; I328-V332 HydrophobicContact CD1-CG2 4.17Å; I328-N347 PolarHBondContact O-ND2 3Å; I328-V423 HydrophobicContact CG2-CG1 4.48Å; I328-L426 HydrophobicContact CD1-CD1 3.9Å
329P97.1Very high96.8Very high69 Ų6938 Ų3845%0.44818%0.184SC..SBendtrans-78.4-17.3178.932.9-36.9000112.8D299D299-P329 HydrophobicContact CB-CB 4.21Å; D299-P329 HydrophobicContact CB-CG 4.24Å
330Q98.4Very high96.7Very high2 Ų237.5 Ų37.51%0.00919%0.186CC..SBendtrans-62143.3179.2-71.871.43400111.5D299 G300 I302 I328 N347 I430D299-Q330 WeakPolarHBondContact O-CG 3.26Å; D299-Q330 PolarHBondContact O-NE2 3.23Å; G300-Q330 WeakPolarHBondContact O-CA 3.27Å; I302-Q330 HydrophobicContact CD1-CB 3.77Å; I302-Q330 HydrophobicContact CD1-CG 4.19Å; I302-Q330 HydrophobicContact CG1-CB 4.03Å; I302-Q330 HydrophobicContact CG1-CG 4.3Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 HydrophobicContact CD1-CB 4.31Å; Q330-N347 PolarHBondContact O-ND2 3.05Å; Q330-I430 HydrophobicContact CG-CD1 4.08Å
331R98.4Very high96.5Very high63 Ų6336.8 Ų36.824%0.23819%0.186CC..EExtended strand (participates in β ladder)trans-73.8149.3162.8-67.7-173.6-177.9-153.3-3.1109.9F292 A295 G300 F301 I302 N347F292-R331 HydrophobicContact CE1-CB 3.77Å; F292-R331 HydrophobicContact CE1-CG 4.33Å; F292-R331 HydrophobicContact CZ-CB 3.97Å; F292-R331 HydrophobicContact CZ-CG 4.17Å; F292-R331 WeakPolarHBondContact O-CD 3.47Å; F292-R331 PolarHBondContact O-NE 3.34Å; F292-R331 PolarHBondContact O-NH1 2.8Å; A295-R331 VanDerWaalsContact C-CZ 3.41Å; A295-R331 VanDerWaalsContact CB-CZ 3.43Å; A295-R331 VanDerWaalsContact O-CZ 3.23Å; A295-R331 PolarHBondContact O-NE 2.64Å; A295-R331 VanDerWaalsContact O-NE 3.16Å; A295-R331 PolarHBondContact O-NH2 3.36Å; G300-R331 PolarHBondContact O-N 2.94Å; F301-R331 CarbonylContact C-O 3.59Å; F301-R331 WeakPolarHBondContact CA-O 3.48Å; F301-R331 HydrophobicContact CB-CB 4Å; F301-R331 VanDerWaalsContact CB-O 3.3Å; F301-R331 WeakPolarHBondContact CB-O 3.16Å; I302-R331 PolarHBondContact N-O 3.42Å; R331-N347 CarbonylContact C-O 3.6Å; R331-N347 VanDerWaalsContact CA-O 3.3Å; R331-N347 WeakPolarHBondContact CA-O 3.47Å
332V98.6Very high96.1Very high0 Ų047.3 Ų47.30%023%0.232CC..EExtended strand (participates in β ladder)trans-127.3123.8-178.3-174.70000108.7I302 F304 F325 I328 W334 N347 V348 K349I302-V332 HydrophobicContact CB-CG2 4.34Å; I302-V332 HydrophobicContact CD1-CG2 4.27Å; I302-V332 WeakPolarHBondContact O-CA 3.44Å; F304-V332 HydrophobicContact CB-CG1 4.48Å; F325-V332 HydrophobicContact CB-CG2 4.21Å; F325-V332 HydrophobicContact CD1-CG1 4.45Å; F325-V332 HydrophobicContact CD1-CG2 3.86Å; F325-V332 HydrophobicContact CD2-CB 4.47Å; F325-V332 HydrophobicContact CD2-CG1 4.1Å; F325-V332 HydrophobicContact CD2-CG2 4.37Å; F325-V332 HydrophobicContact CE1-CG1 4.24Å; F325-V332 HydrophobicContact CE1-CG2 4.32Å; F325-V332 HydrophobicContact CE2-CG1 3.87Å; F325-V332 HydrophobicContact CG-CB 4.47Å; F325-V332 HydrophobicContact CG-CG1 4.4Å; F325-V332 HydrophobicContact CG-CG2 3.89Å; F325-V332 HydrophobicContact CZ-CG1 3.94Å; I328-V332 HydrophobicContact CD1-CG2 4.17Å; V332-W334 HydrophobicContact CG1-CB 4.38Å; V332-N347 PolarHBondContact N-O 2.69Å; V332-V348 HydrophobicContact CB-CG2 4.13Å; V332-V348 HydrophobicContact CG2-CG2 4.47Å; V332-V348 CarbonylContact O-C 3.46Å; V332-V348 WeakPolarHBondContact O-CA 3.47Å; V332-K349 PolarHBondContact O-N 3.04Å
333I98.3Very high95.8Very high0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-104115.9169.3-61.3172000107.3L289 F292 V293 F301 I302 F304 K349 M351 L354 L359L289-I333 HydrophobicContact CD1-CD1 3.78Å; L289-I333 HydrophobicContact CD1-CG1 4.41Å; L289-I333 HydrophobicContact CD1-CG2 4.4Å; L289-I333 HydrophobicContact CG-CD1 4.2Å; F292-I333 HydrophobicContact CD1-CD1 4.21Å; F292-I333 HydrophobicContact CD1-CG1 3.93Å; F292-I333 HydrophobicContact CE1-CG1 3.86Å; V293-I333 HydrophobicContact CG1-CD1 3.31Å; V293-I333 HydrophobicContact CG1-CG1 4.5Å; F301-I333 HydrophobicContact CD2-CD1 4.14Å; F301-I333 HydrophobicContact CE2-CD1 4.22Å; I302-I333 PolarHBondContact O-N 3.48Å; F304-I333 PolarHBondContact N-O 3.35Å; I333-K349 WeakPolarHBondContact CA-O 3.35Å; I333-M351 HydrophobicContact CG2-CG 4.44Å; I333-M351 HydrophobicContact CG2-SD 3.83Å; I333-L354 HydrophobicContact CG2-CD2 3.48Å; I333-L354 VanDerWaalsContact CG2-CD2 3.48Å; I333-L359 HydrophobicContact CD1-CD1 4.21Å; I333-L359 HydrophobicContact CD1-CD2 3.48Å; I333-L359 VanDerWaalsContact CD1-CD2 3.48Å; I333-L359 HydrophobicContact CD1-CG 4.49Å; I333-L359 HydrophobicContact CG2-CD1 3.96Å
334W98Very high95.6Very high2 Ų252.5 Ų52.51%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-122.7122.3-171.8-178.912000111.5F304 M313 A318 F321 F322 F325 V332 Y336 V348 K349 L350 M351F304-W334 HydrophobicContact CB-CB 4.27Å; F304-W334 HydrophobicContact CB-CG 4.23Å; F304-W334 HydrophobicContact CD1-CB 4.29Å; F304-W334 AromaticContact CD1-CD1 3.28Å; F304-W334 AromaticContact CD1-CD2 3.57Å; F304-W334 HydrophobicContact CD1-CD2 3.57Å; F304-W334 AromaticContact CD1-CE2 3.5Å; F304-W334 VanDerWaalsContact CD1-CE2 3.5Å; F304-W334 HydrophobicContact CD1-CE3 4.34Å; F304-W334 AromaticContact CD1-CG 3.5Å; F304-W334 HydrophobicContact CD1-CG 3.5Å; F304-W334 VanDerWaalsContact CD1-CG 3.5Å; F304-W334 HydrophobicContact CD1-CZ2 4.22Å; F304-W334 AromaticContact CD1-NE1 3.33Å; F304-W334 VanDerWaalsContact CD1-NE1 3.33Å; F304-W334 AromaticContact CE1-CD1 3.82Å; F304-W334 AromaticContact CE1-CD2 3.88Å; F304-W334 HydrophobicContact CE1-CD2 3.88Å; F304-W334 AromaticContact CE1-CE2 3.33Å; F304-W334 HydrophobicContact CE1-CG 4.2Å; F304-W334 HydrophobicContact CE1-CH2 4.34Å; F304-W334 AromaticContact CE1-CZ2 3.62Å; F304-W334 HydrophobicContact CE1-CZ2 3.62Å; F304-W334 AromaticContact CE1-NE1 3.33Å; F304-W334 VanDerWaalsContact CE1-NE1 3.33Å; F304-W334 AromaticContact CG-CD1 3.72Å; F304-W334 HydrophobicContact CG-CG 4.15Å; F304-W334 HydrophobicContact CZ-CZ2 4.49Å; F304-W334 WeakPolarHBondContact O-CA 3.21Å; M313-W334 HydrophobicContact CE-CZ2 3.8Å; M313-W334 HydrophobicContact SD-CZ2 4.2Å; A318-W334 HydrophobicContact CB-CH2 4.28Å; F321-W334 HydrophobicContact CB-CH2 3.7Å; F321-W334 HydrophobicContact CB-CZ2 4.45Å; F321-W334 HydrophobicContact CB-CZ3 3.94Å; F321-W334 HydrophobicContact CG-CH2 4.3Å; F322-W334 HydrophobicContact CD1-CE3 4.5Å; F322-W334 AromaticContact CD1-CZ3 3.92Å; F322-W334 HydrophobicContact CD1-CZ3 3.92Å; F322-W334 HydrophobicContact CD2-CH2 4.41Å; F322-W334 HydrophobicContact CD2-CZ3 4.04Å; F322-W334 AromaticContact CE1-CE3 3.98Å; F322-W334 HydrophobicContact CE1-CE3 3.98Å; F322-W334 AromaticContact CE1-CZ3 3.61Å; F322-W334 HydrophobicContact CE1-CZ3 3.61Å; F322-W334 HydrophobicContact CE2-CH2 4.03Å; F322-W334 AromaticContact CE2-CZ3 3.71Å; F322-W334 HydrophobicContact CE2-CZ3 3.71Å; F322-W334 HydrophobicContact CG-CZ3 4.13Å; F322-W334 HydrophobicContact CZ-CE3 4.09Å; F322-W334 HydrophobicContact CZ-CH2 4.16Å; F322-W334 AromaticContact CZ-CZ3 3.48Å; F322-W334 HydrophobicContact CZ-CZ3 3.48Å; F322-W334 VanDerWaalsContact CZ-CZ3 3.48Å; F325-W334 HydrophobicContact CD2-CE3 4.29Å; F325-W334 HydrophobicContact CD2-CZ3 4.43Å; F325-W334 HydrophobicContact CE2-CD2 4.32Å; F325-W334 AromaticContact CE2-CE3 3.68Å; F325-W334 HydrophobicContact CE2-CE3 3.68Å; F325-W334 AromaticContact CE2-CZ3 3.92Å; F325-W334 HydrophobicContact CE2-CZ3 3.92Å; V332-W334 HydrophobicContact CG1-CB 4.38Å; W334-Y336 HydrophobicContact CD2-CG 4.47Å; W334-Y336 AromaticContact CE2-CD2 3.9Å; W334-Y336 HydrophobicContact CH2-CD2 4.27Å; W334-Y336 HydrophobicContact CH2-CE2 4.49Å; W334-Y336 AromaticContact CZ2-CD2 3.62Å; W334-Y336 HydrophobicContact CZ2-CD2 3.62Å; W334-Y336 HydrophobicContact CZ2-CE2 4.12Å; W334-Y336 HydrophobicContact CZ2-CG 4.06Å; W334-Y336 PolarHBondContact O-N 3.32Å; W334-V348 HydrophobicContact CE3-CG1 4.47Å; W334-K349 PolarHBondContact N-O 2.95Å; W334-L350 HydrophobicContact CB-CD2 4.01Å; W334-L350 HydrophobicContact CD2-CD2 4.1Å; W334-L350 HydrophobicContact CE3-CD2 3.78Å; W334-L350 HydrophobicContact CG-CD2 4.24Å; W334-L350 CarbonylContact O-C 3.49Å; W334-L350 WeakPolarHBondContact O-CA 3.46Å; W334-M351 PolarHBondContact O-N 3.24Å
335R97Very high95.5Very high21 Ų2152.9 Ų52.98%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-71.4106.9164.2-170.5171.4164.4-96.813.7110.4F304 G307 S308 V310 M351 K352 L354F304-R335 PolarHBondContact O-N 2.86Å; G307-R335 PolarHBondContact O-NH1 3.25Å; S308-R335 PolarHBondContact O-NH2 2.96Å; V310-R335 PolarHBondContact O-NH1 3.46Å; R335-M351 VanDerWaalsContact CA-O 3.26Å; R335-M351 WeakPolarHBondContact CA-O 3.42Å; R335-K352 PolarHBondContact NE-O 3.18Å; R335-K352 VanDerWaalsContact NE-O 3.12Å; R335-L354 HydrophobicContact CB-CD1 3.81Å; R335-L354 HydrophobicContact CB-CG 3.84Å
336Y96.6Very high95.3Very high7 Ų763 Ų633%0.02731%0.308CS..  trans-147.3131.8-178.8-175.8-111.2000111.3S311 M313 A318 F322 W334 G338 E339 I340 L350 M351S311-Y336 CarbonylContact O-C 3.55Å; S311-Y336 VanDerWaalsContact O-CA 3.29Å; S311-Y336 WeakPolarHBondContact O-CA 3.43Å; M313-Y336 HydrophobicContact CG-CE2 4.18Å; A318-Y336 HydrophobicContact CB-CE2 4.1Å; A318-Y336 WeakPolarHBondContact CB-OH 3.2Å; F322-Y336 HydrophobicContact CE2-CE1 4.48Å; F322-Y336 HydrophobicContact CZ-CE1 4.42Å; W334-Y336 HydrophobicContact CD2-CG 4.47Å; W334-Y336 AromaticContact CE2-CD2 3.9Å; W334-Y336 HydrophobicContact CH2-CD2 4.27Å; W334-Y336 HydrophobicContact CH2-CE2 4.49Å; W334-Y336 AromaticContact CZ2-CD2 3.62Å; W334-Y336 HydrophobicContact CZ2-CD2 3.62Å; W334-Y336 HydrophobicContact CZ2-CE2 4.12Å; W334-Y336 HydrophobicContact CZ2-CG 4.06Å; W334-Y336 PolarHBondContact O-N 3.32Å; Y336-G338 VanDerWaalsContact CE1-C 3.47Å; Y336-G338 WeakPolarHBondContact CE1-O 3.45Å; Y336-G338 VanDerWaalsContact CZ-CA 3.46Å; Y336-E339 WeakPolarHBondContact CE1-O 3.36Å; Y336-E339 PolarHBondContact OH-N 3.35Å; Y336-E339 PolarHBondContact OH-O 3.07Å; Y336-I340 HydrophobicContact CD1-CG1 4.48Å; Y336-I340 HydrophobicContact CE1-CG1 4.36Å; Y336-L350 HydrophobicContact CD1-CD1 4.25Å; Y336-M351 PolarHBondContact N-O 2.89Å
337T94.3Very high95.3Very high64 Ų6460 Ų6039%0.39330%0.298SS..  trans-125.67.717965.60000113S311 K352S311-T337 WeakPolarHBondContact CB-OG1 3.19Å; S311-T337 PolarHBondContact O-N 3.37Å; S311-T337 PolarHBondContact O-OG1 3.06Å; S311-T337 PolarHBondContact OG-OG1 3.01Å; T337-K352 HydrophobicContact CG2-CB 4.46Å; T337-K352 HydrophobicContact CG2-CG 4.39Å
338G93Very high95.3Very high18 Ų1855.6 Ų55.619%0.18628%0.279CS..SBendtrans-80.4-167.3175.900000112.3Y336 I340Y336-G338 VanDerWaalsContact CE1-C 3.47Å; Y336-G338 WeakPolarHBondContact CE1-O 3.45Å; Y336-G338 VanDerWaalsContact CZ-CA 3.46Å; G338-I340 PolarHBondContact O-N 3.26Å
339E92.7Very high95.3Very high136 Ų13656.9 Ų56.964%0.63628%0.284SS*.PPolyproline II helixtrans-65.8127.8178.2-64.7-168.7170.300111.4Y336Y336-E339 WeakPolarHBondContact CE1-O 3.36Å; Y336-E339 PolarHBondContact OH-N 3.35Å; Y336-E339 PolarHBondContact OH-O 3.07Å
340I92.7Very high95.3Very high106 Ų10655.6 Ų55.654%0.54427%0.273SS..PPolyproline II helixtrans-95.1122.6-176.2-59.3173.9000108.2Y336 G338 V344 L350Y336-I340 HydrophobicContact CD1-CG1 4.48Å; Y336-I340 HydrophobicContact CE1-CG1 4.36Å; G338-I340 PolarHBondContact O-N 3.26Å; I340-V344 HydrophobicContact CG2-CG2 3.44Å; I340-V344 VanDerWaalsContact CG2-CG2 3.44Å; I340-L350 HydrophobicContact CD1-CD1 4.12Å; I340-L350 HydrophobicContact CG1-CD1 3.97Å; I340-L350 HydrophobicContact CG2-CD1 3.87Å
341P90Very high95.2Very high33 Ų3357.7 Ų57.721%0.21428%0.284CS..PPolyproline II helixtrans-65.6152.2176.528.7-34.8000110.5F322 D343 V344F322-P341 HydrophobicContact CD1-CG 4.42Å; F322-P341 HydrophobicContact CD2-CG 3.67Å; F322-P341 HydrophobicContact CE1-CG 4.35Å; F322-P341 HydrophobicContact CE2-CG 3.62Å; F322-P341 HydrophobicContact CG-CG 4.1Å; F322-P341 HydrophobicContact CZ-CG 3.97Å; P341-D343 PolarHBondContact O-N 3.29Å; P341-V344 HydrophobicContact CG-CG2 4.25Å; P341-V344 WeakPolarHBondContact O-CG2 3.38Å
342K89.4Confident95Very high222 Ų22263 Ų6397%0.96531%0.308SS*.THydrogen-bonded Turntrans-62.6-25.5-179.5-67.6-176.6-179.2177.60112.9
343D90.4Very high94.7Very high100 Ų10069.3 Ų69.354%0.53533%0.332SS..THydrogen-bonded Turntrans-115.152.5-171.968.4-45000112.1R326 P341R326-D343 IonicContact CZ-OD2 2.64Å; R326-D343 VanDerWaalsContact NH2-CG 3.33Å; R326-D343 PolarHBondContact NH2-O 3.16Å; R326-D343 IonicContact NH2-OD1 3.86Å; R326-D343 IonicContact NH2-OD2 3.68Å; R326-D343 PolarHBondContact NH2-OD2 2.99Å; P341-D343 PolarHBondContact O-N 3.29Å
344V94.4Very high94.5Very high50 Ų5069.8 Ų69.830%0.30334%0.335SS..  trans-54.2131.5175.4-177.60000110.6F322 I340 P341 V348 L350F322-V344 HydrophobicContact CE1-CG1 4.13Å; I340-V344 HydrophobicContact CG2-CG2 3.44Å; I340-V344 VanDerWaalsContact CG2-CG2 3.44Å; P341-V344 HydrophobicContact CG-CG2 4.25Å; P341-V344 WeakPolarHBondContact O-CG2 3.38Å; V344-V348 HydrophobicContact CG1-CB 4.16Å; V344-V348 HydrophobicContact CG1-CG1 4.27Å; V344-L350 HydrophobicContact CG2-CD1 4.39Å
345P95.8Very high94.3Very high8 Ų871.1 Ų71.15%0.05234%0.344CS..  trans-58.3138.9177.9-22.933.6000112F322 R326 N347 V348F322-P345 HydrophobicContact CB-CG 4.34Å; F322-P345 HydrophobicContact CD1-CG 4.18Å; F322-P345 WeakPolarHBondContact O-CG 3.38Å; R326-P345 HydrophobicContact CG-CB 3.76Å; R326-P345 HydrophobicContact CG-CG 3.52Å; P345-N347 VanDerWaalsContact CB-OD1 3.22Å; P345-N347 WeakPolarHBondContact CB-OD1 3.44Å; P345-N347 PolarHBondContact O-N 3.09Å; P345-N347 VanDerWaalsContact O-N 3.12Å; P345-V348 HydrophobicContact CB-CB 4.34Å; P345-V348 HydrophobicContact CB-CG2 3.8Å; P345-V348 HydrophobicContact CG-CG2 3.98Å; P345-V348 PolarHBondContact O-N 3.46Å
346K94.3Very high94.2Very high212 Ų21271.8 Ų71.892%0.92235%0.348SS*.THydrogen-bonded Turntrans-61.5-24.6-176.9-63.8-174.6-178.3179.90113.9V348K346-V348 VanDerWaalsContact C-N 3.31Å
347N97.2Very high94Very high30 Ų3072.2 Ų72.216%0.1635%0.351CS..THydrogen-bonded Turntrans-85.60.6177.266.3-44.3000113.1F325 I328 Q330 R331 V332 P345F325-N347 PolarHBondContact O-ND2 3.44Å; F325-N347 PolarHBondContact O-OD1 3.19Å; I328-N347 PolarHBondContact O-ND2 3Å; Q330-N347 PolarHBondContact O-ND2 3.05Å; R331-N347 CarbonylContact C-O 3.6Å; R331-N347 VanDerWaalsContact CA-O 3.3Å; R331-N347 WeakPolarHBondContact CA-O 3.47Å; V332-N347 PolarHBondContact N-O 2.69Å; P345-N347 VanDerWaalsContact CB-OD1 3.22Å; P345-N347 WeakPolarHBondContact CB-OD1 3.44Å; P345-N347 PolarHBondContact O-N 3.09Å; P345-N347 VanDerWaalsContact O-N 3.12Å
348V97.9Very high94Very high13 Ų1370.7 Ų70.78%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-107.4129.1-179.6177.90000110.4F322 F325 V332 W334 V344 P345 K346 L350F322-V348 HydrophobicContact CE1-CG1 4.2Å; F325-V348 HydrophobicContact CB-CG2 3.63Å; F325-V348 HydrophobicContact CD2-CG2 3.8Å; F325-V348 HydrophobicContact CG-CG2 4.09Å; V332-V348 HydrophobicContact CB-CG2 4.13Å; V332-V348 HydrophobicContact CG2-CG2 4.47Å; V332-V348 CarbonylContact O-C 3.46Å; V332-V348 WeakPolarHBondContact O-CA 3.47Å; W334-V348 HydrophobicContact CE3-CG1 4.47Å; V344-V348 HydrophobicContact CG1-CB 4.16Å; V344-V348 HydrophobicContact CG1-CG1 4.27Å; P345-V348 HydrophobicContact CB-CB 4.34Å; P345-V348 HydrophobicContact CB-CG2 3.8Å; P345-V348 HydrophobicContact CG-CG2 3.98Å; P345-V348 PolarHBondContact O-N 3.46Å; K346-V348 VanDerWaalsContact C-N 3.31Å; V348-L350 HydrophobicContact CG1-CD2 3.7Å; V348-L350 HydrophobicContact CG1-CG 4.31Å
349K97.1Very high94.1Very high39 Ų3969.8 Ų69.817%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-115.6116.1170.8-173.4172.2-173.8118.70109.8E288 L289 F292 V332 I333 W334E288-K349 VanDerWaalsContact CD-NZ 3.32Å; E288-K349 IonicContact OE1-NZ 2.68Å; E288-K349 PolarHBondContact OE1-NZ 3.32Å; L289-K349 HydrophobicContact CD1-CD 3.9Å; F292-K349 HydrophobicContact CB-CD 4.15Å; F292-K349 HydrophobicContact CD1-CB 4.03Å; F292-K349 HydrophobicContact CD1-CD 3.96Å; F292-K349 HydrophobicContact CD2-CB 4.4Å; F292-K349 HydrophobicContact CD2-CD 4.18Å; F292-K349 HydrophobicContact CE1-CB 3.6Å; F292-K349 HydrophobicContact CE1-CD 4.39Å; F292-K349 HydrophobicContact CE2-CB 4.02Å; F292-K349 HydrophobicContact CG-CB 4.41Å; F292-K349 HydrophobicContact CG-CD 3.82Å; F292-K349 HydrophobicContact CZ-CB 3.59Å; V332-K349 PolarHBondContact O-N 3.04Å; I333-K349 WeakPolarHBondContact CA-O 3.35Å; W334-K349 PolarHBondContact N-O 2.95Å
350L96.9Very high94.3Very high41 Ų4163.4 Ų63.422%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-88.8139.9178.8-56.7-179.5000110.8F322 W334 Y336 I340 V344 V348F322-L350 HydrophobicContact CE1-CD1 4.3Å; F322-L350 HydrophobicContact CE1-CD2 4.05Å; F322-L350 HydrophobicContact CZ-CD1 4.09Å; F322-L350 HydrophobicContact CZ-CD2 4.18Å; W334-L350 HydrophobicContact CB-CD2 4.01Å; W334-L350 HydrophobicContact CD2-CD2 4.1Å; W334-L350 HydrophobicContact CE3-CD2 3.78Å; W334-L350 HydrophobicContact CG-CD2 4.24Å; W334-L350 CarbonylContact O-C 3.49Å; W334-L350 WeakPolarHBondContact O-CA 3.46Å; Y336-L350 HydrophobicContact CD1-CD1 4.25Å; I340-L350 HydrophobicContact CD1-CD1 4.12Å; I340-L350 HydrophobicContact CG1-CD1 3.97Å; I340-L350 HydrophobicContact CG2-CD1 3.87Å; V344-L350 HydrophobicContact CG2-CD1 4.39Å; V348-L350 HydrophobicContact CG1-CD2 3.7Å; V348-L350 HydrophobicContact CG1-CG 4.31Å
351M95.6Very high94.4Very high47 Ų4760 Ų6023%0.23229%0.289CS..EExtended strand (participates in β ladder)trans-139.5149.5178.2-62.3-174.176.600111.2L289 I333 W334 R335 Y336 L354L289-M351 HydrophobicContact CD1-CE 4.33Å; L289-M351 HydrophobicContact CD1-SD 3.63Å; L289-M351 HydrophobicContact CD2-CE 4.29Å; L289-M351 HydrophobicContact CD2-SD 4.19Å; I333-M351 HydrophobicContact CG2-CG 4.44Å; I333-M351 HydrophobicContact CG2-SD 3.83Å; W334-M351 PolarHBondContact O-N 3.24Å; R335-M351 VanDerWaalsContact CA-O 3.26Å; R335-M351 WeakPolarHBondContact CA-O 3.42Å; Y336-M351 PolarHBondContact N-O 2.89Å; M351-L354 HydrophobicContact CB-CD2 3.73Å; M351-L354 HydrophobicContact CG-CD2 4.07Å; M351-L354 HydrophobicContact SD-CD2 3.59Å; M351-L354 VanDerWaalsContact SD-CD2 3.59Å
352K94.1Very high94.7Very high174 Ų17459.8 Ų59.876%0.75729%0.285SS*.SBendtrans-76.4-31.1173.2-64.5-175.1177.7-178.60112.5R335 T337R335-K352 PolarHBondContact NE-O 3.18Å; R335-K352 VanDerWaalsContact NE-O 3.12Å; T337-K352 HydrophobicContact CG2-CB 4.46Å; T337-K352 HydrophobicContact CG2-CG 4.39Å
353W93.9Very high94.9Very high133 Ų13355 Ų5550%0.50428%0.276SS..SBendtrans-145.7144.8177.1-163.6-95.3000110.1L40L40-W353 HydrophobicContact CD1-CH2 4.31Å; L40-W353 HydrophobicContact CD1-CZ2 4.47Å
354L93.9Very high95.2Very high9 Ų952.9 Ų52.95%0.04726%0.262CS..  trans-109.2138.9-178.6-61.3179.2000110.8V303 T305 I333 R335 M351 Q356 L359V303-L354 HydrophobicContact CG1-CD1 4.01Å; T305-L354 HydrophobicContact CG2-CD1 4.49Å; I333-L354 HydrophobicContact CG2-CD2 3.48Å; I333-L354 VanDerWaalsContact CG2-CD2 3.48Å; R335-L354 HydrophobicContact CB-CD1 3.81Å; R335-L354 HydrophobicContact CB-CG 3.84Å; M351-L354 HydrophobicContact CB-CD2 3.73Å; M351-L354 HydrophobicContact CG-CD2 4.07Å; M351-L354 HydrophobicContact SD-CD2 3.59Å; M351-L354 VanDerWaalsContact SD-CD2 3.59Å; L354-Q356 HydrophobicContact CB-CB 4.23Å; L354-Q356 PolarHBondContact O-N 3.24Å; L354-L359 HydrophobicContact CB-CD1 4.32Å; L354-L359 HydrophobicContact CD2-CD1 4.28Å
355P93.3Very high95.4Very high31 Ų3150.8 Ų50.820%0.20125%0.25CC..  trans-73.267.7155.733-31.3000108.4L285 L289 N357 D358 L359L285-P355 HydrophobicContact CD2-CG 4.16Å; L289-P355 HydrophobicContact CD2-CG 3.53Å; P355-N357 PolarHBondContact O-N 3.08Å; P355-D358 HydrophobicContact CB-CB 4.19Å; P355-D358 WeakPolarHBondContact CB-OD2 3.39Å; P355-D358 PolarHBondContact O-N 3.43Å; P355-L359 HydrophobicContact CG-CD1 4.32Å; P355-L359 HydrophobicContact CG-CG 4.24Å; P355-L359 WeakPolarHBondContact O-CG 3.49Å; P355-L359 PolarHBondContact O-N 2.87Å
356Q94.5Very high95.5Very high35 Ų3554.1 Ų54.116%0.16426%0.264CS..Hα-helixtrans-58.8-51-165.1-175.2-178.8-62.800112.4V303 L354 D358 L359 L360 F368 E379V303-Q356 HydrophobicContact CG1-CG 4.48Å; L354-Q356 HydrophobicContact CB-CB 4.23Å; L354-Q356 PolarHBondContact O-N 3.24Å; Q356-D358 PolarHBondContact O-N 3.49Å; Q356-L359 PolarHBondContact O-N 2.92Å; Q356-L360 HydrophobicContact CG-CD1 4.08Å; Q356-L360 WeakPolarHBondContact O-CG 3.45Å; Q356-L360 PolarHBondContact O-N 3.38Å; Q356-F368 HydrophobicContact CG-CE2 4.25Å; Q356-F368 HydrophobicContact CG-CZ 4.28Å; Q356-E379 VanDerWaalsContact CD-OE2 3.24Å; Q356-E379 VanDerWaalsContact CG-OE2 3.25Å; Q356-E379 WeakPolarHBondContact CG-OE2 3.42Å; Q356-E379 PolarHBondContact NE2-OE2 2.89Å
357N93.5Very high95.7Very high16 Ų1644 Ų449%0.08622%0.22CC..Hα-helixtrans-62.2-42.3179.3-164.446.1000111.9C279 K281 P355 L359 L360 A361 E379 N383C279-N357 PolarHBondContact O-ND2 2.77Å; C279-N357 VanDerWaalsContact O-ND2 3.11Å; K281-N357 PolarHBondContact O-ND2 3.39Å; P355-N357 PolarHBondContact O-N 3.08Å; N357-L359 VanDerWaalsContact C-N 3.32Å; N357-L359 PolarHBondContact O-N 3.14Å; N357-L360 PolarHBondContact O-N 3.42Å; N357-A361 WeakPolarHBondContact O-CB 3.45Å; N357-A361 PolarHBondContact O-N 3.13Å; N357-E379 HydrophobicContact CB-CG 4.06Å; N357-E379 WeakPolarHBondContact OD1-CG 3.28Å; N357-N383 PolarHBondContact OD1-ND2 3.13Å
358D93.8Very high95.7Very high31 Ų3142.6 Ų42.617%0.16621%0.212CC..Hα-helixtrans-64.3-36.8178.3-54.4-43.3000111.9T282 A283 L285 P355 Q356 H362T282-D358 WeakPolarHBondContact CA-OD1 3.47Å; A283-D358 PolarHBondContact N-OD1 3.12Å; L285-D358 HydrophobicContact CD2-CB 3.64Å; P355-D358 HydrophobicContact CB-CB 4.19Å; P355-D358 WeakPolarHBondContact CB-OD2 3.39Å; P355-D358 PolarHBondContact O-N 3.43Å; Q356-D358 PolarHBondContact O-N 3.49Å; D358-H362 PolarHBondContact O-N 3.14Å
359L95.9Very high95.8Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-66.8-43.9174.1-76170.4000111.5L285 L289 V293 F301 V303 I333 L354 P355 Q356 N357 A361 H362L285-L359 HydrophobicContact CD1-CD2 3.98Å; L285-L359 HydrophobicContact CD2-CD2 3.81Å; L285-L359 HydrophobicContact CD2-CG 3.98Å; L289-L359 HydrophobicContact CD2-CD1 4.27Å; L289-L359 HydrophobicContact CD2-CD2 3.8Å; L289-L359 HydrophobicContact CD2-CG 4.21Å; L289-L359 HydrophobicContact CG-CD2 4.06Å; V293-L359 HydrophobicContact CG1-CD2 4.12Å; F301-L359 HydrophobicContact CE2-CB 4.35Å; F301-L359 HydrophobicContact CE2-CD2 4.06Å; F301-L359 HydrophobicContact CZ-CD2 4.35Å; F301-L359 VanDerWaalsContact CZ-O 3.32Å; F301-L359 WeakPolarHBondContact CZ-O 3.42Å; V303-L359 HydrophobicContact CG1-CD1 4.42Å; V303-L359 HydrophobicContact CG2-CB 3.78Å; V303-L359 HydrophobicContact CG2-CD1 4.44Å; I333-L359 HydrophobicContact CD1-CD1 4.21Å; I333-L359 HydrophobicContact CD1-CD2 3.48Å; I333-L359 VanDerWaalsContact CD1-CD2 3.48Å; I333-L359 HydrophobicContact CD1-CG 4.49Å; I333-L359 HydrophobicContact CG2-CD1 3.96Å; L354-L359 HydrophobicContact CB-CD1 4.32Å; L354-L359 HydrophobicContact CD2-CD1 4.28Å; P355-L359 HydrophobicContact CG-CD1 4.32Å; P355-L359 HydrophobicContact CG-CG 4.24Å; P355-L359 WeakPolarHBondContact O-CG 3.49Å; P355-L359 PolarHBondContact O-N 2.87Å; Q356-L359 PolarHBondContact O-N 2.92Å; N357-L359 VanDerWaalsContact C-N 3.32Å; N357-L359 PolarHBondContact O-N 3.14Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 2.97Å; L359-H362 VanDerWaalsContact O-CB 3.26Å; L359-H362 WeakPolarHBondContact O-CB 3.39Å; L359-H362 PolarHBondContact O-N 3.12Å; L359-H362 VanDerWaalsContact O-N 3.16Å
360L96.6Very high95.8Very high2 Ų240.2 Ų40.21%0.0120%0.201CC..Hα-helixtrans-67.4-31.9179-68173.7000112.1V303 Q356 N357 H362 F368 E379 N383 V385V303-L360 HydrophobicContact CB-CD2 4.1Å; V303-L360 HydrophobicContact CG2-CD2 4.01Å; Q356-L360 HydrophobicContact CG-CD1 4.08Å; Q356-L360 WeakPolarHBondContact O-CG 3.45Å; Q356-L360 PolarHBondContact O-N 3.38Å; N357-L360 PolarHBondContact O-N 3.42Å; L360-H362 PolarHBondContact O-N 2.81Å; L360-F368 HydrophobicContact CD1-CD1 4.15Å; L360-F368 HydrophobicContact CD1-CD2 4.33Å; L360-F368 HydrophobicContact CD1-CE1 4.33Å; L360-F368 HydrophobicContact CD1-CG 4.16Å; L360-F368 HydrophobicContact CD2-CB 3.72Å; L360-F368 HydrophobicContact CD2-CD2 3.99Å; L360-F368 HydrophobicContact CD2-CG 3.86Å; L360-E379 HydrophobicContact CD1-CB 3.7Å; L360-N383 HydrophobicContact CB-CB 4.1Å; L360-N383 VanDerWaalsContact O-CB 3.31Å; L360-N383 WeakPolarHBondContact O-CB 3.47Å; L360-V385 HydrophobicContact CB-CG2 4.45Å; L360-V385 HydrophobicContact CD2-CB 4.25Å; L360-V385 HydrophobicContact CD2-CG1 4.09Å; L360-V385 HydrophobicContact CD2-CG2 4.24Å; L360-V385 WeakPolarHBondContact O-CG2 3.39Å
361A94.8Very high95.8Very high34 Ų3439.5 Ų39.528%0.28120%0.196SC..THydrogen-bonded Turntrans-68.7-14.4173.700000113.9T282 N357 L359 N383T282-A361 HydrophobicContact CG2-CB 3.91Å; N357-A361 WeakPolarHBondContact O-CB 3.45Å; N357-A361 PolarHBondContact O-N 3.13Å; L359-A361 VanDerWaalsContact C-N 3.29Å; L359-A361 PolarHBondContact O-N 2.97Å; A361-N383 WeakPolarHBondContact CA-OD1 3.42Å; A361-N383 VanDerWaalsContact CB-OD1 3.27Å; A361-N383 WeakPolarHBondContact CB-OD1 3.05Å
362H94.9Very high95.8Very high28 Ų2837.2 Ų37.213%0.1319%0.185CC..SBendtrans-70.3134179.7-162.8-87.5000111.1D294 F301 D358 L359 L360 K364 A365D294-H362 IonicContact OD1-CE1 3.41Å; D294-H362 PolarHBondContact OD1-CE1 2.9Å; D294-H362 IonicContact OD1-NE2 3.71Å; D294-H362 PolarHBondContact OD1-NE2 3.29Å; F301-H362 HydrophobicContact CE1-CB 3.9Å; F301-H362 AromaticContact CE1-CG 3.93Å; F301-H362 AromaticContact CE1-ND1 3.59Å; F301-H362 HydrophobicContact CZ-CB 3.77Å; D358-H362 PolarHBondContact O-N 3.14Å; L359-H362 VanDerWaalsContact O-CB 3.26Å; L359-H362 WeakPolarHBondContact O-CB 3.39Å; L359-H362 PolarHBondContact O-N 3.12Å; L359-H362 VanDerWaalsContact O-N 3.16Å; L360-H362 PolarHBondContact O-N 2.81Å; H362-K364 PolarHBondContact ND1-N 3.04Å; H362-K364 PolarHBondContact O-N 2.86Å; H362-A365 VanDerWaalsContact O-CB 3.31Å; H362-A365 WeakPolarHBondContact O-CB 3.43Å; H362-A365 PolarHBondContact O-N 3.41Å
363P94.1Very high95.8Very high121 Ų12129.4 Ų29.479%0.78615%0.154SC*.THydrogen-bonded Turntrans-62.5-18.8-175.224-35.7000114.5
364K96.9Very high95.8Very high57 Ų5723.6 Ų23.625%0.24813%0.134CC..THydrogen-bonded Turntrans-88.4-2.2176.7-61-166.5176.8-159.60114.4D294 G297 G300 F301 H362 K366D294-K364 PolarHBondContact O-NZ 3.36Å; G297-K364 PolarHBondContact O-NZ 3.37Å; G300-K364 WeakPolarHBondContact CA-O 3.44Å; F301-K364 HydrophobicContact CD1-CB 3.81Å; F301-K364 WeakPolarHBondContact CD1-O 3.45Å; F301-K364 VanDerWaalsContact CE1-C 3.49Å; F301-K364 HydrophobicContact CE1-CB 3.88Å; F301-K364 PolarHBondContact N-O 2.85Å; H362-K364 PolarHBondContact ND1-N 3.04Å; H362-K364 PolarHBondContact O-N 2.86Å; K364-K366 PolarHBondContact O-N 3.17Å
365A97.7Very high95.7Very high5 Ų524.6 Ų24.64%0.04114%0.138CC..EExtended strand (participates in β ladder)trans-67.5120.8175.400000109.9F301 H362 V385F301-A365 HydrophobicContact CE1-CB 4.16Å; F301-A365 HydrophobicContact CE2-CB 4.34Å; F301-A365 HydrophobicContact CZ-CB 3.88Å; H362-A365 VanDerWaalsContact O-CB 3.31Å; H362-A365 WeakPolarHBondContact O-CB 3.43Å; H362-A365 PolarHBondContact O-N 3.41Å; A365-V385 HydrophobicContact CB-CG2 4.1Å
366K98.1Very high95.8Very high78 Ų7823.4 Ų23.434%0.33913%0.131SC..EExtended strand (participates in β ladder)trans-101.7-44.6-176.4-62-60.6-172.4172.60112.9D298 D299 F301 K364 P386D298-K366 PolarHBondContact O-NZ 3.35Å; D299-K366 WeakPolarHBondContact O-CE 3.33Å; D299-K366 WeakPolarHBondContact O-CG 3.32Å; F301-K366 PolarHBondContact O-N 3.01Å; K364-K366 PolarHBondContact O-N 3.17Å; K366-P386 WeakPolarHBondContact O-CD 3.27Å; K366-P386 WeakPolarHBondContact O-CG 3.37Å
367V98.4Very high95.9Very high1 Ų121.7 Ų21.71%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-141138.6-176.2-178.40000109.8I302 V303 M369 P386 L388 L426 V429 I430I302-V367 WeakPolarHBondContact CA-O 3.45Å; I302-V367 HydrophobicContact CG1-CB 4.3Å; I302-V367 HydrophobicContact CG2-CB 4.48Å; V303-V367 PolarHBondContact N-O 3.05Å; V303-V367 VanDerWaalsContact N-O 3.11Å; V367-M369 HydrophobicContact CG1-CG 4.29Å; V367-P386 WeakPolarHBondContact CA-O 3.39Å; V367-L388 HydrophobicContact CG1-CB 4.01Å; V367-L426 HydrophobicContact CG1-CD2 4.27Å; V367-V429 HydrophobicContact CG1-CG1 4.16Å; V367-V429 HydrophobicContact CG2-CB 4.24Å; V367-V429 HydrophobicContact CG2-CG1 3.84Å; V367-I430 HydrophobicContact CG2-CD1 4.09Å; V367-I430 HydrophobicContact CG2-CG1 3.35Å
368F98.8Very high96.1Very high0 Ų021.1 Ų21.10%012%0.12CC..EExtended strand (participates in β ladder)trans-100.7109.8165.5-176.5-144.7000110.2V303 T305 Q356 L360 T370 G376 V385 P386 M387 L388V303-F368 HydrophobicContact CB-CD2 4.08Å; V303-F368 HydrophobicContact CG1-CD2 4.1Å; V303-F368 HydrophobicContact CG1-CE2 4.16Å; V303-F368 WeakPolarHBondContact O-CD2 3.48Å; T305-F368 HydrophobicContact CG2-CE2 3.69Å; T305-F368 HydrophobicContact CG2-CZ 3.94Å; Q356-F368 HydrophobicContact CG-CE2 4.25Å; Q356-F368 HydrophobicContact CG-CZ 4.28Å; L360-F368 HydrophobicContact CD1-CD1 4.15Å; L360-F368 HydrophobicContact CD1-CD2 4.33Å; L360-F368 HydrophobicContact CD1-CE1 4.33Å; L360-F368 HydrophobicContact CD1-CG 4.16Å; L360-F368 HydrophobicContact CD2-CB 3.72Å; L360-F368 HydrophobicContact CD2-CD2 3.99Å; L360-F368 HydrophobicContact CD2-CG 3.86Å; F368-T370 HydrophobicContact CD1-CG2 3.84Å; F368-T370 VanDerWaalsContact CE1-CB 3.49Å; F368-T370 HydrophobicContact CE1-CG2 3.74Å; F368-T370 HydrophobicContact CG-CG2 4.46Å; F368-T370 HydrophobicContact CZ-CG2 4.3Å; F368-G376 VanDerWaalsContact CE1-O 3.25Å; F368-G376 WeakPolarHBondContact CE1-O 3.31Å; F368-V385 HydrophobicContact CB-CG1 4.04Å; F368-P386 PolarHBondContact N-O 3.3Å; F368-M387 HydrophobicContact CB-CG 4.26Å; F368-M387 HydrophobicContact CD1-CG 4.43Å; F368-M387 HydrophobicContact CD1-SD 3.97Å; F368-M387 VanDerWaalsContact O-CA 3.24Å; F368-M387 WeakPolarHBondContact O-CA 3.28Å; F368-L388 PolarHBondContact O-N 2.94Å
369M98.6Very high96.2Very high0 Ų020.8 Ų20.80%012%0.117CC..EExtended strand (participates in β ladder)trans-85.6119.1171.4-68.1176.866.500109.3I302 V303 F304 T305 F321 F325 V367 L388 F390 L422 L426I302-M369 HydrophobicContact CG2-CB 4.46Å; I302-M369 HydrophobicContact CG2-CG 3.73Å; I302-M369 HydrophobicContact CG2-SD 3.58Å; I302-M369 VanDerWaalsContact CG2-SD 3.58Å; V303-M369 PolarHBondContact O-N 2.86Å; F304-M369 WeakPolarHBondContact CA-O 3.33Å; F304-M369 HydrophobicContact CB-CB 3.86Å; F304-M369 HydrophobicContact CB-SD 4.26Å; F304-M369 HydrophobicContact CD1-CE 4.13Å; F304-M369 HydrophobicContact CD2-CB 3.35Å; F304-M369 HydrophobicContact CD2-CE 4.08Å; F304-M369 HydrophobicContact CD2-CG 4.49Å; F304-M369 WeakPolarHBondContact CD2-O 3.23Å; F304-M369 HydrophobicContact CE1-CE 4.23Å; F304-M369 HydrophobicContact CE2-CB 4.14Å; F304-M369 HydrophobicContact CE2-CE 4.19Å; F304-M369 HydrophobicContact CG-CB 3.81Å; F304-M369 HydrophobicContact CG-CE 4.08Å; F304-M369 HydrophobicContact CG-SD 4.22Å; F304-M369 HydrophobicContact CZ-CE 4.27Å; T305-M369 PolarHBondContact N-O 3.02Å; T305-M369 VanDerWaalsContact N-O 3.09Å; F321-M369 HydrophobicContact CD1-CE 3.86Å; F321-M369 HydrophobicContact CE1-CE 3.69Å; F325-M369 HydrophobicContact CE1-CE 3.96Å; F325-M369 HydrophobicContact CE1-SD 3.78Å; F325-M369 HydrophobicContact CZ-CE 3.88Å; F325-M369 HydrophobicContact CZ-SD 3.97Å; V367-M369 HydrophobicContact CG1-CG 4.29Å; M369-L388 CarbonylContact C-O 3.55Å; M369-L388 VanDerWaalsContact CA-O 3.26Å; M369-L388 WeakPolarHBondContact CA-O 3.46Å; M369-L388 HydrophobicContact CE-CD2 4.48Å; M369-L388 HydrophobicContact CG-CB 4.16Å; M369-L388 HydrophobicContact CG-CD2 4.38Å; M369-F390 HydrophobicContact CB-CE2 4.23Å; M369-F390 HydrophobicContact CE-CE2 3.73Å; M369-F390 HydrophobicContact CE-CZ 3.8Å; M369-F390 HydrophobicContact CG-CE2 4.49Å; M369-L422 HydrophobicContact CE-CD1 3.83Å; M369-L426 HydrophobicContact CG-CD2 4.16Å; M369-L426 HydrophobicContact SD-CD1 4.46Å; M369-L426 HydrophobicContact SD-CD2 3.87Å
370T97.8Very high96.2Very high1 Ų120.8 Ų20.81%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-148.1151.7-170.5-175.50000114.4T305 F368 G372 M387 L388 M389 F390T305-T370 WeakPolarHBondContact O-CA 3.25Å; F368-T370 HydrophobicContact CD1-CG2 3.84Å; F368-T370 VanDerWaalsContact CE1-CB 3.49Å; F368-T370 HydrophobicContact CE1-CG2 3.74Å; F368-T370 HydrophobicContact CG-CG2 4.46Å; F368-T370 HydrophobicContact CZ-CG2 4.3Å; T370-G372 PolarHBondContact O-N 3.05Å; T370-G372 PolarHBondContact OG1-N 3.48Å; T370-M387 HydrophobicContact CG2-SD 4.25Å; T370-L388 PolarHBondContact N-O 2.92Å; T370-M389 HydrophobicContact CG2-CE 4.2Å; T370-M389 HydrophobicContact CG2-CG 3.98Å; T370-M389 CarbonylContact O-C 3.53Å; T370-M389 WeakPolarHBondContact O-CA 3.42Å; T370-F390 PolarHBondContact O-N 3.11Å
371H95.9Very high96.3Very high26 Ų2620.7 Ų20.712%0.1212%0.117CC..  trans-66.4-11.1167.869.5-45.4000114.9L306 G307 G373 F390 P391 L392 Q396L306-H371 HydrophobicContact CB-CB 4.33Å; L306-H371 HydrophobicContact CD2-CB 3.99Å; L306-H371 PolarHBondContact O-CD2 3.33Å; L306-H371 VanDerWaalsContact O-CD2 3.3Å; L306-H371 VanDerWaalsContact O-CG 3.27Å; G307-H371 VanDerWaalsContact CA-CE1 3.43Å; G307-H371 WeakPolarHBondContact CA-CE1 3.29Å; H371-G373 PolarHBondContact CE1-N 3.09Å; H371-F390 VanDerWaalsContact CA-O 3.29Å; H371-F390 WeakPolarHBondContact CA-O 3.43Å; H371-P391 WeakPolarHBondContact O-CA 3.36Å; H371-L392 HydrophobicContact CB-CD1 4.18Å; H371-L392 HydrophobicContact CB-CG 4.29Å; H371-Q396 PolarHBondContact CD2-NE2 3.12Å; H371-Q396 WeakPolarHBondContact O-CB 3.35Å; H371-Q396 PolarHBondContact O-OE1 3.3Å
372G96Very high96.3Very high0 Ų019.7 Ų19.70%011%0.107CC..  trans85.722.2179.900000115T370 I377 N399T370-G372 PolarHBondContact O-N 3.05Å; T370-G372 PolarHBondContact OG1-N 3.48Å; G372-I377 WeakPolarHBondContact O-CD1 3.16Å; G372-N399 VanDerWaalsContact O-CB 3.26Å; G372-N399 WeakPolarHBondContact O-CB 3.27Å; G372-N399 PolarHBondContact O-ND2 3.09Å; G372-N399 VanDerWaalsContact O-ND2 3.13Å
373G95.1Very high96.4Very high9 Ų920.4 Ų20.49%0.09311%0.112CC..  trans-65.9140.6167.600000112.1H371 H375 G376 I377H371-G373 PolarHBondContact CE1-N 3.09Å; G373-H375 VanDerWaalsContact C-N 3.35Å; G373-H375 PolarHBondContact O-N 2.98Å; G373-G376 PolarHBondContact O-N 2.68Å; G373-G376 VanDerWaalsContact O-N 3.17Å; G373-I377 PolarHBondContact O-N 2.95Å; G373-I377 VanDerWaalsContact O-N 3.09Å
374S93.8Very high96.6Very high12 Ų1214.7 Ų14.78%0.0848%0.076CC..Hα-helixtrans-55.3-39.2-172.2510000114.9I377 Y378S374-I377 PolarHBondContact O-N 3.26Å; S374-Y378 WeakPolarHBondContact O-CD2 3.21Å; S374-Y378 PolarHBondContact O-N 3.21Å
375H92Very high96.6Very high30 Ų3012 Ų1214%0.1396%0.064CC..Hα-helixtrans-60.8-49.7176.6-73.6174.9000112.9S37 S41 R256 N278 G373 I377 Y378 E379S37-H375 PolarHBondContact O-CE1 3.14Å; S41-H375 WeakPolarHBondContact CB-CE1 3.41Å; S41-H375 WeakPolarHBondContact CB-NE2 3.37Å; S41-H375 PolarHBondContact OG-CD2 3.48Å; S41-H375 VanDerWaalsContact OG-CD2 3.3Å; S41-H375 PolarHBondContact OG-CE1 2.82Å; S41-H375 PolarHBondContact OG-ND1 2.56Å; S41-H375 PolarHBondContact OG-NE2 3.31Å; R256-H375 PolarHBondContact NH1-NE2 2.99Å; N278-H375 PolarHBondContact ND2-O 3.3Å; G373-H375 VanDerWaalsContact C-N 3.35Å; G373-H375 PolarHBondContact O-N 2.98Å; H375-I377 VanDerWaalsContact C-N 3.27Å; H375-I377 PolarHBondContact O-N 3.39Å; H375-Y378 PolarHBondContact O-N 2.8Å; H375-E379 WeakPolarHBondContact O-CG 3.31Å; H375-E379 PolarHBondContact O-N 2.78Å; H375-E379 VanDerWaalsContact O-N 3.07Å
376G94.7Very high96.7Very high5 Ų511.9 Ų11.95%0.0526%0.062CC..Hα-helixtrans-65.8-34.3179.500000111.8F368 G373 Y378 E379 G380F368-G376 VanDerWaalsContact CE1-O 3.25Å; F368-G376 WeakPolarHBondContact CE1-O 3.31Å; G373-G376 PolarHBondContact O-N 2.68Å; G373-G376 VanDerWaalsContact O-N 3.17Å; G376-Y378 VanDerWaalsContact C-N 3.35Å; G376-E379 PolarHBondContact O-N 3.38Å; G376-G380 PolarHBondContact O-N 3.26Å
377I97.2Very high96.7Very high0 Ų08.1 Ų8.10%05%0.046CC..Hα-helixtrans-59.8-46.4173.5-72.7175.7000110.8F261 G372 G373 S374 H375 E379 G380 I381 M387 M389 N399 M403F261-I377 HydrophobicContact CD2-CG2 3.79Å; F261-I377 HydrophobicContact CE2-CD1 3.73Å; F261-I377 HydrophobicContact CE2-CG2 3.78Å; F261-I377 HydrophobicContact CG-CG2 4.35Å; F261-I377 HydrophobicContact CZ-CD1 3.92Å; F261-I377 HydrophobicContact CZ-CG2 4.29Å; G372-I377 WeakPolarHBondContact O-CD1 3.16Å; G373-I377 PolarHBondContact O-N 2.95Å; G373-I377 VanDerWaalsContact O-N 3.09Å; S374-I377 PolarHBondContact O-N 3.26Å; H375-I377 VanDerWaalsContact C-N 3.27Å; H375-I377 PolarHBondContact O-N 3.39Å; I377-E379 PolarHBondContact O-N 2.72Å; I377-G380 PolarHBondContact O-N 3.2Å; I377-I381 HydrophobicContact CG2-CD1 3.67Å; I377-I381 HydrophobicContact CG2-CG1 4.29Å; I377-I381 VanDerWaalsContact O-CG1 3.32Å; I377-I381 WeakPolarHBondContact O-CG1 2.7Å; I377-I381 PolarHBondContact O-N 3.06Å; I377-M387 HydrophobicContact CG1-SD 4.38Å; I377-M387 WeakPolarHBondContact O-CE 3.34Å; I377-M389 HydrophobicContact CD1-CE 4.22Å; I377-M389 HydrophobicContact CG1-CE 3.95Å; I377-N399 HydrophobicContact CD1-CB 3.72Å; I377-M403 HydrophobicContact CD1-CG 4.13Å; I377-M403 HydrophobicContact CG2-CE 3.96Å; I377-M403 HydrophobicContact CG2-CG 4.19Å; I377-M403 HydrophobicContact CG2-SD 3.81Å
378Y96.6Very high96.7Very high3 Ų38.1 Ų8.11%0.0125%0.046CC..Hα-helixtrans-63.3-40.4176.5-85.3-65.6000112.9R256 Y257 D258 F261 G276 C279 S374 H375 G376 G380 I381 C382 H446R256-Y378 WeakPolarHBondContact O-CE2 3.41Å; Y257-Y378 WeakPolarHBondContact CA-OH 3.18Å; D258-Y378 PolarHBondContact N-OH 2.66Å; D258-Y378 PolarHBondContact OD1-OH 3.26Å; F261-Y378 HydrophobicContact CB-CE1 4.2Å; F261-Y378 HydrophobicContact CB-CE2 4.47Å; F261-Y378 WeakPolarHBondContact CB-OH 3.48Å; F261-Y378 AromaticContact CD1-CE2 3.72Å; F261-Y378 HydrophobicContact CD1-CE2 3.72Å; F261-Y378 AromaticContact CD1-CZ 3.82Å; F261-Y378 WeakPolarHBondContact CD1-OH 3.38Å; F261-Y378 HydrophobicContact CE1-CE2 4.34Å; F261-Y378 HydrophobicContact CG-CE2 4.41Å; G276-Y378 VanDerWaalsContact CA-CD1 3.46Å; G276-Y378 VanDerWaalsContact N-CD1 3.26Å; C279-Y378 PolarHBondContact SG-O 2.92Å; S374-Y378 WeakPolarHBondContact O-CD2 3.21Å; S374-Y378 PolarHBondContact O-N 3.21Å; H375-Y378 PolarHBondContact O-N 2.8Å; G376-Y378 VanDerWaalsContact C-N 3.35Å; Y378-G380 VanDerWaalsContact C-N 3.3Å; Y378-G380 PolarHBondContact O-N 3.37Å; Y378-I381 PolarHBondContact O-N 3.31Å; Y378-C382 VanDerWaalsContact O-CB 3.28Å; Y378-C382 WeakPolarHBondContact O-CB 3.42Å; Y378-C382 PolarHBondContact O-N 3.32Å; Y378-C382 PolarHBondContact O-SG 3.21Å; Y378-H446 AromaticContact CD1-CE1 3.62Å; Y378-H446 AromaticContact CD1-NE2 3.92Å; Y378-H446 AromaticContact CE1-CE1 3.45Å; Y378-H446 VanDerWaalsContact CE1-CE1 3.45Å; Y378-H446 WeakPolarHBondContact CE1-CE1 3.26Å; Y378-H446 AromaticContact CE1-ND1 3.93Å
379E95.9Very high96.7Very high25 Ų258.1 Ų8.112%0.1175%0.046CC..Hα-helixtrans-62.1-39.3176-64.9168.8-16400111.5N278 Q356 N357 L360 H375 G376 I377 N383N278-E379 WeakPolarHBondContact ND2-CG 3.44Å; N278-E379 PolarHBondContact ND2-OE1 3.14Å; Q356-E379 VanDerWaalsContact CD-OE2 3.24Å; Q356-E379 VanDerWaalsContact CG-OE2 3.25Å; Q356-E379 WeakPolarHBondContact CG-OE2 3.42Å; Q356-E379 PolarHBondContact NE2-OE2 2.89Å; N357-E379 HydrophobicContact CB-CG 4.06Å; N357-E379 WeakPolarHBondContact OD1-CG 3.28Å; L360-E379 HydrophobicContact CD1-CB 3.7Å; H375-E379 WeakPolarHBondContact O-CG 3.31Å; H375-E379 PolarHBondContact O-N 2.78Å; H375-E379 VanDerWaalsContact O-N 3.07Å; G376-E379 PolarHBondContact O-N 3.38Å; I377-E379 PolarHBondContact O-N 2.72Å; E379-N383 WeakPolarHBondContact O-CB 3.48Å; E379-N383 PolarHBondContact O-N 3.27Å; E379-N383 PolarHBondContact O-ND2 2.7Å
380G97.1Very high96.5Very high0 Ų08.1 Ų8.10%05%0.046CC..Hα-helixtrans-70-38.6174.900000113.4G376 I377 Y378 G384 V385 M387G376-G380 PolarHBondContact O-N 3.26Å; I377-G380 PolarHBondContact O-N 3.2Å; Y378-G380 VanDerWaalsContact C-N 3.3Å; Y378-G380 PolarHBondContact O-N 3.37Å; G380-G384 PolarHBondContact O-N 2.81Å; G380-V385 PolarHBondContact O-N 2.83Å; G380-M387 VanDerWaalsContact CA-CE 3.46Å
381I97.8Very high96.3Very high0 Ų08.8 Ų8.80%05%0.05CC..Hα-helixtrans-62.5-52.4173.7-70.2168.9000110.1V260 F261 I377 Y378 N383 G384 M387 M403 I439 L442 S443 H446V260-I381 HydrophobicContact CG1-CG2 4.11Å; F261-I381 HydrophobicContact CB-CD1 4.36Å; I377-I381 HydrophobicContact CG2-CD1 3.67Å; I377-I381 HydrophobicContact CG2-CG1 4.29Å; I377-I381 VanDerWaalsContact O-CG1 3.32Å; I377-I381 WeakPolarHBondContact O-CG1 2.7Å; I377-I381 PolarHBondContact O-N 3.06Å; Y378-I381 PolarHBondContact O-N 3.31Å; I381-N383 PolarHBondContact O-N 2.88Å; I381-G384 PolarHBondContact O-N 3.3Å; I381-M387 HydrophobicContact CG1-CE 4.34Å; I381-M403 HydrophobicContact CD1-CE 3.82Å; I381-M403 HydrophobicContact CD1-SD 4.19Å; I381-M403 HydrophobicContact CG1-CE 3.71Å; I381-I439 HydrophobicContact CG1-CD1 4.14Å; I381-L442 HydrophobicContact CG1-CD2 4.35Å; I381-S443 WeakPolarHBondContact O-CA 3.42Å; I381-S443 WeakPolarHBondContact O-CB 3.33Å; I381-S443 PolarHBondContact O-OG 2.93Å; I381-H446 HydrophobicContact CG2-CB 3.85Å
382C95.8Very high96Very high12 Ų128 Ų88%0.0815%0.047CC..Hα-helixtrans-62.3-29.8-176.3-71.70000113.4C279 Y378 S443 H446C279-C382 HydrophobicContact CB-CB 3.49Å; C279-C382 VanDerWaalsContact CB-CB 3.49Å; C279-C382 WeakPolarHBondContact CB-SG 3.49Å; C279-C382 WeakPolarHBondContact SG-CB 3.4Å; C279-C382 CovalentContact SG-SG 2Å; C279-C382 PolarHBondContact SG-SG 3.23Å; Y378-C382 VanDerWaalsContact O-CB 3.28Å; Y378-C382 WeakPolarHBondContact O-CB 3.42Å; Y378-C382 PolarHBondContact O-N 3.32Å; Y378-C382 PolarHBondContact O-SG 3.21Å; C382-S443 PolarHBondContact O-OG 2.84Å; C382-H446 PolarHBondContact SG-CD2 2.91Å; C382-H446 PolarHBondContact SG-NE2 2.55Å
383N96.7Very high95.6Very high43 Ų4311 Ų1123%0.236%0.06CC..THydrogen-bonded Turntrans-97.74176.5-63.2-65.9000113.5N357 L360 A361 E379 I381 V385N357-N383 PolarHBondContact OD1-ND2 3.13Å; L360-N383 HydrophobicContact CB-CB 4.1Å; L360-N383 VanDerWaalsContact O-CB 3.31Å; L360-N383 WeakPolarHBondContact O-CB 3.47Å; A361-N383 WeakPolarHBondContact CA-OD1 3.42Å; A361-N383 VanDerWaalsContact CB-OD1 3.27Å; A361-N383 WeakPolarHBondContact CB-OD1 3.05Å; E379-N383 WeakPolarHBondContact O-CB 3.48Å; E379-N383 PolarHBondContact O-N 3.27Å; E379-N383 PolarHBondContact O-ND2 2.7Å; I381-N383 PolarHBondContact O-N 2.88Å; N383-V385 VanDerWaalsContact C-N 3.3Å; N383-V385 HydrophobicContact CB-CG2 4.06Å; N383-V385 PolarHBondContact O-N 2.84Å
384G97.4Very high95.2Very high2 Ų212.7 Ų12.72%0.0218%0.078CC..THydrogen-bonded Turntrans60.835.7178.800000113.1G380 I381 K436 I439G380-G384 PolarHBondContact O-N 2.81Å; I381-G384 PolarHBondContact O-N 3.3Å; G384-K436 PolarHBondContact O-NZ 3.29Å; G384-I439 VanDerWaalsContact O-CG2 3.27Å; G384-I439 WeakPolarHBondContact O-CG2 3.31Å
385V98.4Very high95Very high1 Ų114.6 Ų14.61%0.0069%0.087CC..  trans-102117.6-177.9-176.40000109.7L360 A365 F368 G380 N383L360-V385 HydrophobicContact CB-CG2 4.45Å; L360-V385 HydrophobicContact CD2-CB 4.25Å; L360-V385 HydrophobicContact CD2-CG1 4.09Å; L360-V385 HydrophobicContact CD2-CG2 4.24Å; L360-V385 WeakPolarHBondContact O-CG2 3.39Å; A365-V385 HydrophobicContact CB-CG2 4.1Å; F368-V385 HydrophobicContact CB-CG1 4.04Å; G380-V385 PolarHBondContact O-N 2.83Å; N383-V385 VanDerWaalsContact C-N 3.3Å; N383-V385 HydrophobicContact CB-CG2 4.06Å; N383-V385 PolarHBondContact O-N 2.84Å
386P98.5Very high95Very high1 Ų113.4 Ų13.41%0.0068%0.081CC..  trans-70.6159.8-179.932.4-35.9000110.9K366 V367 F368 V429 I439K366-P386 WeakPolarHBondContact O-CD 3.27Å; K366-P386 WeakPolarHBondContact O-CG 3.37Å; V367-P386 WeakPolarHBondContact CA-O 3.39Å; F368-P386 PolarHBondContact N-O 3.3Å; P386-V429 HydrophobicContact CB-CG1 3.72Å; P386-V429 HydrophobicContact CG-CG1 3.82Å; P386-I439 HydrophobicContact CB-CG2 4.05Å; P386-I439 HydrophobicContact CG-CG2 4.42Å
387M98.6Very high94.9Very high0 Ų014.4 Ų14.40%09%0.092CC..EExtended strand (participates in β ladder)trans-125144-163.4-48.2-168.9-158.300114.1F368 T370 I377 G380 I381 M389 M403 V408 A409 V410 I439F368-M387 HydrophobicContact CB-CG 4.26Å; F368-M387 HydrophobicContact CD1-CG 4.43Å; F368-M387 HydrophobicContact CD1-SD 3.97Å; F368-M387 VanDerWaalsContact O-CA 3.24Å; F368-M387 WeakPolarHBondContact O-CA 3.28Å; T370-M387 HydrophobicContact CG2-SD 4.25Å; I377-M387 HydrophobicContact CG1-SD 4.38Å; I377-M387 WeakPolarHBondContact O-CE 3.34Å; G380-M387 VanDerWaalsContact CA-CE 3.46Å; I381-M387 HydrophobicContact CG1-CE 4.34Å; M387-M389 HydrophobicContact CB-CE 3.5Å; M387-M389 VanDerWaalsContact CB-CE 3.5Å; M387-M389 HydrophobicContact CB-CG 3.91Å; M387-M389 HydrophobicContact CB-SD 4.4Å; M387-M389 HydrophobicContact CG-CE 3.83Å; M387-M389 HydrophobicContact SD-CE 3.15Å; M387-M389 WeakPolarHBondContact SD-CE 3.21Å; M387-M403 HydrophobicContact CE-CE 3.95Å; M387-V408 PolarHBondContact N-O 3.17Å; M387-A409 HydrophobicContact CB-CB 4.06Å; M387-A409 CarbonylContact O-C 3.57Å; M387-A409 WeakPolarHBondContact O-CA 3.23Å; M387-V410 PolarHBondContact O-N 2.02Å; M387-I439 HydrophobicContact CE-CD1 4.45Å
388L98.5Very high94.8Very high0 Ų015.1 Ų15.10%010%0.096CC..EExtended strand (participates in β ladder)trans-113.5118.5165.9-17566.1000108.1V367 F368 M369 T370 F390 V410 L412 L422 L426 V429V367-L388 HydrophobicContact CG1-CB 4.01Å; F368-L388 PolarHBondContact O-N 2.94Å; M369-L388 CarbonylContact C-O 3.55Å; M369-L388 VanDerWaalsContact CA-O 3.26Å; M369-L388 WeakPolarHBondContact CA-O 3.46Å; M369-L388 HydrophobicContact CE-CD2 4.48Å; M369-L388 HydrophobicContact CG-CB 4.16Å; M369-L388 HydrophobicContact CG-CD2 4.38Å; T370-L388 PolarHBondContact N-O 2.92Å; L388-F390 HydrophobicContact CD2-CE2 4.42Å; L388-F390 HydrophobicContact CD2-CZ 3.9Å; L388-F390 HydrophobicContact CG-CE2 4.12Å; L388-F390 HydrophobicContact CG-CZ 3.85Å; L388-V410 WeakPolarHBondContact CA-O 3.35Å; L388-V410 HydrophobicContact CD1-CB 3.69Å; L388-V410 HydrophobicContact CD1-CG1 3.66Å; L388-L412 HydrophobicContact CD1-CD1 3.79Å; L388-L412 HydrophobicContact CD1-CG 3.8Å; L388-L412 HydrophobicContact CD2-CD1 4.03Å; L388-L412 HydrophobicContact CG-CD1 4.16Å; L388-L422 HydrophobicContact CD2-CD1 3.73Å; L388-L426 HydrophobicContact CD2-CD2 3.67Å; L388-L426 HydrophobicContact CD2-CG 3.71Å; L388-V429 HydrophobicContact CD1-CG2 4.47Å
389M97.9Very high94.7Very high0 Ų015 Ų150%010%0.095CC..EExtended strand (participates in β ladder)trans-119.1139.3-160.1-64.3-175.4164.500113.9T370 I377 M387 V400 M403 A409 V410 L412T370-M389 HydrophobicContact CG2-CE 4.2Å; T370-M389 HydrophobicContact CG2-CG 3.98Å; T370-M389 CarbonylContact O-C 3.53Å; T370-M389 WeakPolarHBondContact O-CA 3.42Å; I377-M389 HydrophobicContact CD1-CE 4.22Å; I377-M389 HydrophobicContact CG1-CE 3.95Å; M387-M389 HydrophobicContact CB-CE 3.5Å; M387-M389 VanDerWaalsContact CB-CE 3.5Å; M387-M389 HydrophobicContact CB-CG 3.91Å; M387-M389 HydrophobicContact CB-SD 4.4Å; M387-M389 HydrophobicContact CG-CE 3.83Å; M387-M389 HydrophobicContact SD-CE 3.15Å; M387-M389 WeakPolarHBondContact SD-CE 3.21Å; M389-V400 HydrophobicContact CB-CB 4.4Å; M389-V400 HydrophobicContact CB-CG1 3.78Å; M389-V400 HydrophobicContact CB-CG2 3.73Å; M389-V400 HydrophobicContact CG-CG2 4.27Å; M389-V400 HydrophobicContact SD-CB 4.04Å; M389-V400 HydrophobicContact SD-CG1 3.92Å; M389-V400 HydrophobicContact SD-CG2 3.69Å; M389-M403 HydrophobicContact CE-CB 3.78Å; M389-M403 HydrophobicContact CE-CG 3.74Å; M389-M403 HydrophobicContact SD-CB 3.97Å; M389-M403 HydrophobicContact SD-CG 4.34Å; M389-A409 HydrophobicContact CE-CB 3.99Å; M389-A409 HydrophobicContact CG-CB 4.2Å; M389-A409 HydrophobicContact SD-CB 3.73Å; M389-V410 PolarHBondContact N-O 3.07Å; M389-L412 PolarHBondContact O-N 2.91Å; M389-L412 VanDerWaalsContact O-O 3.12Å
390F95.6Very high94.8Very high0 Ų013.8 Ų13.80%09%0.09CC..  trans-130.176.8-176.1-51-87.1000110.4F304 L306 F321 M369 T370 H371 L388 L392 L412 I414 M417 L422F304-F390 HydrophobicContact CE2-CD2 4.42Å; F304-F390 HydrophobicContact CE2-CE2 4.41Å; L306-F390 HydrophobicContact CD2-CB 4.35Å; F321-F390 HydrophobicContact CE1-CE1 4.2Å; F321-F390 HydrophobicContact CE1-CE2 4.36Å; F321-F390 AromaticContact CE1-CZ 3.95Å; F321-F390 HydrophobicContact CE1-CZ 3.95Å; F321-F390 HydrophobicContact CZ-CD1 4.48Å; F321-F390 HydrophobicContact CZ-CE1 4.21Å; F321-F390 HydrophobicContact CZ-CZ 4.38Å; M369-F390 HydrophobicContact CB-CE2 4.23Å; M369-F390 HydrophobicContact CE-CE2 3.73Å; M369-F390 HydrophobicContact CE-CZ 3.8Å; M369-F390 HydrophobicContact CG-CE2 4.49Å; T370-F390 PolarHBondContact O-N 3.11Å; H371-F390 VanDerWaalsContact CA-O 3.29Å; H371-F390 WeakPolarHBondContact CA-O 3.43Å; L388-F390 HydrophobicContact CD2-CE2 4.42Å; L388-F390 HydrophobicContact CD2-CZ 3.9Å; L388-F390 HydrophobicContact CG-CE2 4.12Å; L388-F390 HydrophobicContact CG-CZ 3.85Å; F390-L392 WeakPolarHBondContact O-CG 3.41Å; F390-L392 PolarHBondContact O-N 3.41Å; F390-L412 HydrophobicContact CD1-CB 3.92Å; F390-L412 HydrophobicContact CE1-CB 3.61Å; F390-L412 HydrophobicContact CE1-CD1 3.87Å; F390-L412 HydrophobicContact CE1-CG 4.3Å; F390-L412 HydrophobicContact CZ-CB 4.48Å; F390-L412 HydrophobicContact CZ-CD1 4.2Å; F390-I414 HydrophobicContact CB-CD1 4.29Å; F390-M417 HydrophobicContact CD1-SD 4.34Å; F390-M417 HydrophobicContact CE1-SD 3.62Å; F390-M417 HydrophobicContact CZ-SD 4.47Å; F390-L422 HydrophobicContact CE1-CD1 4.27Å; F390-L422 HydrophobicContact CZ-CD1 3.78Å
391P93.4Very high94.7Very high15 Ų1516.4 Ų16.410%0.09710%0.102CC..  trans-62.7132.6-177.526.6-31.9000110.9H371 Q396 V400 K411H371-P391 WeakPolarHBondContact O-CA 3.36Å; P391-Q396 HydrophobicContact CB-CB 4.04Å; P391-V400 HydrophobicContact CB-CB 4.47Å; P391-V400 HydrophobicContact CB-CG2 3.94Å; P391-V400 HydrophobicContact CG-CB 4.41Å; P391-V400 HydrophobicContact CG-CG1 4.46Å; P391-V400 HydrophobicContact CG-CG2 4.19Å; P391-K411 HydrophobicContact CG-CD 4.36Å; P391-K411 HydrophobicContact CG-CG 4.44Å
392L89.6Confident94.7Very high11 Ų1117.4 Ų17.46%0.05811%0.106CC..  trans-110.8-52.3-176.7-55.1177.7000112.1L98 F99 L306 V310 H371 F390 I414L98-L392 HydrophobicContact CD2-CB 4.24Å; L98-L392 WeakPolarHBondContact CD2-O 3.47Å; F99-L392 HydrophobicContact CE1-CD2 4.33Å; L306-L392 HydrophobicContact CB-CD1 4.18Å; L306-L392 HydrophobicContact CD1-CD1 4.2Å; L306-L392 HydrophobicContact CD2-CD1 4.33Å; L306-L392 HydrophobicContact CG-CD1 4.47Å; V310-L392 HydrophobicContact CB-CD1 4.17Å; V310-L392 HydrophobicContact CG1-CD1 4Å; V310-L392 HydrophobicContact CG2-CD1 3.98Å; H371-L392 HydrophobicContact CB-CD1 4.18Å; H371-L392 HydrophobicContact CB-CG 4.29Å; F390-L392 WeakPolarHBondContact O-CG 3.41Å; F390-L392 PolarHBondContact O-N 3.41Å; L392-I414 HydrophobicContact CD2-CB 4.48Å; L392-I414 HydrophobicContact CD2-CD1 3.8Å; L392-I414 HydrophobicContact CD2-CG2 3.87Å
393F86.4Confident94.8Very high62 Ų6216.9 Ų16.927%0.27210%0.102SC..SBendtrans-160.1177.6-17664.3-82.7000113.1L98 M309 V310 D395 Q396L98-F393 HydrophobicContact CD1-CD1 3.75Å; L98-F393 HydrophobicContact CD1-CE1 4.09Å; L98-F393 HydrophobicContact CD2-CB 3.64Å; L98-F393 HydrophobicContact CD2-CD1 3.68Å; L98-F393 HydrophobicContact CD2-CG 4.01Å; L98-F393 HydrophobicContact CG-CD1 4.39Å; M309-F393 HydrophobicContact CB-CZ 4.31Å; V310-F393 HydrophobicContact CG2-CE1 3.81Å; F393-D395 PolarHBondContact O-N 2.9Å; F393-Q396 VanDerWaalsContact O-CB 3.3Å; F393-Q396 WeakPolarHBondContact O-CB 3.37Å; F393-Q396 WeakPolarHBondContact O-CG 3.33Å; F393-Q396 PolarHBondContact O-N 3.39Å; F393-Q396 PolarHBondContact O-NE2 3.46Å; F393-Q396 VanDerWaalsContact O-NE2 3.13Å
394G87.1Confident94.9Very high44 Ų4417.5 Ų17.545%0.45411%0.107SC..THydrogen-bonded Turntrans61.1-129.317500000110.9Q396G394-Q396 VanDerWaalsContact C-N 3.32Å; G394-Q396 PolarHBondContact O-N 2.97Å
395D89.4Confident94.9Very high52 Ų5220.3 Ų20.328%0.27813%0.126SC..THydrogen-bonded Turntrans-84.1-5.6-175.266.4-43.4000115.1F195 F393 G397 D398 N399F195-D395 HydrophobicContact CE1-CB 4.29Å; F195-D395 HydrophobicContact CE2-CB 4.3Å; F195-D395 HydrophobicContact CZ-CB 3.52Å; F393-D395 PolarHBondContact O-N 2.9Å; D395-G397 PolarHBondContact O-N 3.32Å; D395-D398 PolarHBondContact O-N 3.28Å; D395-N399 PolarHBondContact O-N 3.42Å; D395-N399 PolarHBondContact O-ND2 3.25Å; D395-N399 PolarHBondContact OD2-ND2 3.25Å
396Q92.9Very high94.8Very high5 Ų522.5 Ų22.52%0.02314%0.135CC..Hα-helixtrans-62.8-40-168.6-67162.334.200112.8H371 P391 F393 G394 D398 N399 V400H371-Q396 PolarHBondContact CD2-NE2 3.12Å; H371-Q396 WeakPolarHBondContact O-CB 3.35Å; H371-Q396 PolarHBondContact O-OE1 3.3Å; P391-Q396 HydrophobicContact CB-CB 4.04Å; F393-Q396 VanDerWaalsContact O-CB 3.3Å; F393-Q396 WeakPolarHBondContact O-CB 3.37Å; F393-Q396 WeakPolarHBondContact O-CG 3.33Å; F393-Q396 PolarHBondContact O-N 3.39Å; F393-Q396 PolarHBondContact O-NE2 3.46Å; F393-Q396 VanDerWaalsContact O-NE2 3.13Å; G394-Q396 VanDerWaalsContact C-N 3.32Å; G394-Q396 PolarHBondContact O-N 2.97Å; Q396-D398 PolarHBondContact O-N 3.21Å; Q396-N399 PolarHBondContact O-N 3.4Å; Q396-V400 WeakPolarHBondContact O-CB 3.29Å; Q396-V400 WeakPolarHBondContact O-CG2 3.42Å; Q396-V400 PolarHBondContact O-N 2.83Å
397G92.9Very high94.7Very high27 Ų2723.3 Ų23.328%0.27814%0.143SC..Hα-helixtrans-57.3-48.818000000112.5D395 V400 H401D395-G397 PolarHBondContact O-N 3.32Å; G397-V400 PolarHBondContact O-N 3.29Å; G397-H401 WeakPolarHBondContact O-CB 3.34Å; G397-H401 PolarHBondContact O-N 2.99Å
398D93.3Very high94.7Very high15 Ų1523.3 Ų23.38%0.0814%0.143CC..Hα-helixtrans-69.9-36.2178.1-63.1-94.1000112F195 F196 D395 Q396 H401 R402F195-D398 VanDerWaalsContact CD1-OD2 3.3Å; F195-D398 WeakPolarHBondContact CD1-OD2 3.36Å; F195-D398 HydrophobicContact CE1-CB 4.15Å; F195-D398 WeakPolarHBondContact CE1-OD2 3.37Å; F195-D398 HydrophobicContact CE2-CB 3.89Å; F195-D398 HydrophobicContact CZ-CB 3.62Å; F195-D398 WeakPolarHBondContact CZ-OD2 3.41Å; F196-D398 PolarHBondContact N-OD1 3.1Å; F196-D398 PolarHBondContact N-OD2 3.21Å; D395-D398 PolarHBondContact O-N 3.28Å; Q396-D398 PolarHBondContact O-N 3.21Å; D398-H401 PolarHBondContact O-N 3.44Å; D398-R402 VanDerWaalsContact CB-NH1 3.3Å; D398-R402 WeakPolarHBondContact O-CG 3.41Å; D398-R402 PolarHBondContact O-N 3.35Å; D398-R402 PolarHBondContact O-NH1 3.27Å
399N96.2Very high94.7Very high0 Ų023.4 Ų23.40%014%0.144CC..Hα-helixtrans-62.1-46.6174.1-69.2-18.6000111.5F261 G372 I377 D395 Q396 H401 R402 M403F261-N399 HydrophobicContact CE2-CB 4.09Å; F261-N399 HydrophobicContact CZ-CB 3.8Å; F261-N399 VanDerWaalsContact CZ-CG 3.5Å; F261-N399 VanDerWaalsContact CZ-OD1 3.28Å; F261-N399 WeakPolarHBondContact CZ-OD1 3.41Å; G372-N399 VanDerWaalsContact O-CB 3.26Å; G372-N399 WeakPolarHBondContact O-CB 3.27Å; G372-N399 PolarHBondContact O-ND2 3.09Å; G372-N399 VanDerWaalsContact O-ND2 3.13Å; I377-N399 HydrophobicContact CD1-CB 3.72Å; D395-N399 PolarHBondContact O-N 3.42Å; D395-N399 PolarHBondContact O-ND2 3.25Å; D395-N399 PolarHBondContact OD2-ND2 3.25Å; Q396-N399 PolarHBondContact O-N 3.4Å; N399-H401 VanDerWaalsContact C-N 3.32Å; N399-H401 PolarHBondContact O-N 3.44Å; N399-R402 PolarHBondContact O-N 3.49Å; N399-M403 WeakPolarHBondContact O-CG 3.44Å; N399-M403 PolarHBondContact O-N 2.64Å
400V96.8Very high94.7Very high0 Ų024.2 Ų24.20%015%0.148CC..Hα-helixtrans-62.1-41.8177171.60000110.7M389 P391 Q396 G397 R402 M403 V404 K411M389-V400 HydrophobicContact CB-CB 4.4Å; M389-V400 HydrophobicContact CB-CG1 3.78Å; M389-V400 HydrophobicContact CB-CG2 3.73Å; M389-V400 HydrophobicContact CG-CG2 4.27Å; M389-V400 HydrophobicContact SD-CB 4.04Å; M389-V400 HydrophobicContact SD-CG1 3.92Å; M389-V400 HydrophobicContact SD-CG2 3.69Å; P391-V400 HydrophobicContact CB-CB 4.47Å; P391-V400 HydrophobicContact CB-CG2 3.94Å; P391-V400 HydrophobicContact CG-CB 4.41Å; P391-V400 HydrophobicContact CG-CG1 4.46Å; P391-V400 HydrophobicContact CG-CG2 4.19Å; Q396-V400 WeakPolarHBondContact O-CB 3.29Å; Q396-V400 WeakPolarHBondContact O-CG2 3.42Å; Q396-V400 PolarHBondContact O-N 2.83Å; G397-V400 PolarHBondContact O-N 3.29Å; V400-R402 VanDerWaalsContact C-N 3.31Å; V400-R402 PolarHBondContact O-N 3.06Å; V400-M403 PolarHBondContact O-N 2.98Å; V400-V404 HydrophobicContact CG1-CG2 4.12Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 3.48Å; V400-K411 HydrophobicContact CG1-CB 3.7Å; V400-K411 HydrophobicContact CG1-CD 3.94Å; V400-K411 HydrophobicContact CG1-CG 3.82Å
401H96.4Very high94.8Very high55 Ų5528.9 Ų28.926%0.25517%0.169SC..Hα-helixtrans-56.9-43.4177.6-177.862.5000112.5G198 G397 D398 N399 M403 V404 S405G198-H401 PolarHBondContact O-CE1 2.95Å; G198-H401 PolarHBondContact O-NE2 2.77Å; G397-H401 WeakPolarHBondContact O-CB 3.34Å; G397-H401 PolarHBondContact O-N 2.99Å; D398-H401 PolarHBondContact O-N 3.44Å; N399-H401 VanDerWaalsContact C-N 3.32Å; N399-H401 PolarHBondContact O-N 3.44Å; H401-M403 PolarHBondContact O-N 3.34Å; H401-V404 PolarHBondContact O-N 2.88Å; H401-S405 WeakPolarHBondContact O-CB 3.35Å; H401-S405 PolarHBondContact O-N 3.34Å
402R97Very high94.9Very high21 Ų2129.4 Ų29.48%0.07917%0.17CC..Hα-helixtrans-60.9-40.9176.6-70.7172.2179.491.7-9.8113.2F261 D262 W263 D398 N399 V400 R406F261-R402 WeakPolarHBondContact O-CD 3.46Å; D262-R402 IonicContact OD1-CZ 3.2Å; D262-R402 VanDerWaalsContact OD1-CZ 3.24Å; D262-R402 IonicContact OD1-NE 2.82Å; D262-R402 PolarHBondContact OD1-NE 2.95Å; D262-R402 IonicContact OD1-NH2 3.72Å; D262-R402 PolarHBondContact OD1-NH2 2.72Å; D262-R402 IonicContact OD2-NH2 3.97Å; W263-R402 HydrophobicContact CD2-CG 4.48Å; W263-R402 HydrophobicContact CZ2-CB 4.47Å; W263-R402 HydrophobicContact CZ2-CG 3.95Å; D398-R402 VanDerWaalsContact CB-NH1 3.3Å; D398-R402 WeakPolarHBondContact O-CG 3.41Å; D398-R402 PolarHBondContact O-N 3.35Å; D398-R402 PolarHBondContact O-NH1 3.27Å; N399-R402 PolarHBondContact O-N 3.49Å; V400-R402 VanDerWaalsContact C-N 3.31Å; V400-R402 PolarHBondContact O-N 3.06Å; R402-R406 WeakPolarHBondContact O-CD 3.27Å; R402-R406 WeakPolarHBondContact O-CG 3.46Å; R402-R406 PolarHBondContact O-N 3.09Å; R402-R406 PolarHBondContact O-NH1 3.03Å
403M98.1Very high94.8Very high0 Ų030.4 Ų30.40%018%0.176CC..Hα-helixtrans-73.5-37.7-179.7-61.3-55.5-73.700112.1F261 I377 I381 M387 M389 N399 V400 H401 R406 G407 V408 A409 I439 L442F261-M403 HydrophobicContact CD2-SD 3.96Å; F261-M403 HydrophobicContact CE2-CG 4.47Å; F261-M403 HydrophobicContact CE2-SD 4.38Å; I377-M403 HydrophobicContact CD1-CG 4.13Å; I377-M403 HydrophobicContact CG2-CE 3.96Å; I377-M403 HydrophobicContact CG2-CG 4.19Å; I377-M403 HydrophobicContact CG2-SD 3.81Å; I381-M403 HydrophobicContact CD1-CE 3.82Å; I381-M403 HydrophobicContact CD1-SD 4.19Å; I381-M403 HydrophobicContact CG1-CE 3.71Å; M387-M403 HydrophobicContact CE-CE 3.95Å; M389-M403 HydrophobicContact CE-CB 3.78Å; M389-M403 HydrophobicContact CE-CG 3.74Å; M389-M403 HydrophobicContact SD-CB 3.97Å; M389-M403 HydrophobicContact SD-CG 4.34Å; N399-M403 WeakPolarHBondContact O-CG 3.44Å; N399-M403 PolarHBondContact O-N 2.64Å; V400-M403 PolarHBondContact O-N 2.98Å; H401-M403 PolarHBondContact O-N 3.34Å; M403-R406 PolarHBondContact O-N 2.87Å; M403-G407 PolarHBondContact O-N 3.46Å; M403-V408 HydrophobicContact CB-CG2 4.24Å; M403-V408 HydrophobicContact CE-CG2 3.49Å; M403-V408 VanDerWaalsContact CE-CG2 3.49Å; M403-V408 VanDerWaalsContact O-CG2 3.28Å; M403-V408 WeakPolarHBondContact O-CG2 3.3Å; M403-V408 PolarHBondContact O-N 3.47Å; M403-V408 HydrophobicContact SD-CG2 4.35Å; M403-A409 HydrophobicContact CB-CB 3.81Å; M403-I439 HydrophobicContact CE-CD1 4.3Å; M403-L442 HydrophobicContact CE-CD2 4.34Å
404V97.8Very high94.9Very high56 Ų5627.4 Ų27.434%0.33916%0.163SC..Hα-helixtrans-65.2-44173.2172.10000110.8V400 H401 R406 G407 A409 K411V400-V404 HydrophobicContact CG1-CG2 4.12Å; V400-V404 WeakPolarHBondContact O-CG2 3.44Å; V400-V404 PolarHBondContact O-N 3.48Å; H401-V404 PolarHBondContact O-N 2.88Å; V404-R406 PolarHBondContact O-N 3.2Å; V404-G407 WeakPolarHBondContact O-CA 3.42Å; V404-G407 PolarHBondContact O-N 3.39Å; V404-A409 HydrophobicContact CG2-CB 4.38Å; V404-K411 HydrophobicContact CG2-CB 3.82Å
405S96.9Very high94.7Very high61 Ų6127 Ų2743%0.42715%0.148SC..Hα-helixtrans-63.6-25.1178.6-172.70000113.3H401 G407H401-S405 WeakPolarHBondContact O-CB 3.35Å; H401-S405 PolarHBondContact O-N 3.34Å; S405-G407 VanDerWaalsContact C-N 3.28Å
406R97.1Very high94.4Very high48 Ų4829.4 Ų29.418%0.18116%0.162CC..THydrogen-bonded Turntrans-83.4-3.9172.9-72.4165.3171.772-2.8113F259 V260 F261 D262 R402 M403 V404 V408F259-R406 PolarHBondContact O-NH2 3.32Å; F259-R406 VanDerWaalsContact O-NH2 3.11Å; V260-R406 PolarHBondContact O-NE 3.04Å; V260-R406 PolarHBondContact O-NH2 3.49Å; F261-R406 VanDerWaalsContact O-CZ 3.31Å; F261-R406 PolarHBondContact O-NH1 2.93Å; F261-R406 PolarHBondContact O-NH2 2.85Å; D262-R406 PolarHBondContact O-NH2 2.7Å; R402-R406 WeakPolarHBondContact O-CD 3.27Å; R402-R406 WeakPolarHBondContact O-CG 3.46Å; R402-R406 PolarHBondContact O-N 3.09Å; R402-R406 PolarHBondContact O-NH1 3.03Å; M403-R406 PolarHBondContact O-N 2.87Å; V404-R406 PolarHBondContact O-N 3.2Å; R406-V408 VanDerWaalsContact C-N 3.27Å; R406-V408 HydrophobicContact CB-CG2 4.11Å; R406-V408 PolarHBondContact O-N 2.81Å
407G97.6Very high94.3Very high17 Ų1729.5 Ų29.518%0.17516%0.162CC..THydrogen-bonded Turntrans70.319.9179.100000114.3M403 V404 S405 Y435 R438M403-G407 PolarHBondContact O-N 3.46Å; V404-G407 WeakPolarHBondContact O-CA 3.42Å; V404-G407 PolarHBondContact O-N 3.39Å; S405-G407 VanDerWaalsContact C-N 3.28Å; G407-Y435 WeakPolarHBondContact O-CD1 3.22Å; G407-Y435 WeakPolarHBondContact O-CE1 3.46Å; G407-R438 PolarHBondContact O-NE 2.83Å; G407-R438 PolarHBondContact O-NH2 2.87Å
408V98.4Very high94.4Very high1 Ų130.7 Ų30.71%0.00616%0.164CC..SBendtrans-106.2-0.8-178.3-61.80000113.3M387 M403 R406 R438 I439 L442M387-V408 PolarHBondContact N-O 3.17Å; M403-V408 HydrophobicContact CB-CG2 4.24Å; M403-V408 HydrophobicContact CE-CG2 3.49Å; M403-V408 VanDerWaalsContact CE-CG2 3.49Å; M403-V408 VanDerWaalsContact O-CG2 3.28Å; M403-V408 WeakPolarHBondContact O-CG2 3.3Å; M403-V408 PolarHBondContact O-N 3.47Å; M403-V408 HydrophobicContact SD-CG2 4.35Å; R406-V408 VanDerWaalsContact C-N 3.27Å; R406-V408 HydrophobicContact CB-CG2 4.11Å; R406-V408 PolarHBondContact O-N 2.81Å; V408-R438 HydrophobicContact CG1-CB 3.69Å; V408-I439 HydrophobicContact CB-CB 4.02Å; V408-I439 HydrophobicContact CB-CD1 3.83Å; V408-I439 HydrophobicContact CB-CG1 4.44Å; V408-I439 HydrophobicContact CG1-CB 3.93Å; V408-I439 HydrophobicContact CG1-CD1 4.12Å; V408-I439 HydrophobicContact CG2-CD1 4.04Å; V408-L442 HydrophobicContact CG1-CD2 4.25Å; V408-L442 HydrophobicContact CG2-CD2 4.14Å
409A98.3Very high94.6Very high2 Ų230.8 Ų30.82%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-143.5155178.800000112.8M387 M389 M403 V404M387-A409 HydrophobicContact CB-CB 4.06Å; M387-A409 CarbonylContact O-C 3.57Å; M387-A409 WeakPolarHBondContact O-CA 3.23Å; M389-A409 HydrophobicContact CE-CB 3.99Å; M389-A409 HydrophobicContact CG-CB 4.2Å; M389-A409 HydrophobicContact SD-CB 3.73Å; M403-A409 HydrophobicContact CB-CB 3.81Å; V404-A409 HydrophobicContact CG2-CB 4.38Å
410V98.3Very high94.7Very high16 Ų1636 Ų3610%0.09719%0.189CC..EExtended strand (participates in β ladder)trans-109.1130.8165171.80000108.2M387 L388 M389 L412 K428 V429 Y435M387-V410 PolarHBondContact O-N 2.02Å; L388-V410 WeakPolarHBondContact CA-O 3.35Å; L388-V410 HydrophobicContact CD1-CB 3.69Å; L388-V410 HydrophobicContact CD1-CG1 3.66Å; M389-V410 PolarHBondContact N-O 3.07Å; V410-L412 HydrophobicContact CG1-CD2 4.39Å; V410-L412 HydrophobicContact CG1-CG 4.49Å; V410-K428 HydrophobicContact CG2-CD 4.21Å; V410-V429 HydrophobicContact CB-CG2 3.83Å; V410-V429 HydrophobicContact CG2-CG2 3.51Å; V410-Y435 HydrophobicContact CG2-CE1 3.84Å; V410-Y435 HydrophobicContact CG2-CE2 4.35Å; V410-Y435 VanDerWaalsContact CG2-OH 3.29Å; V410-Y435 WeakPolarHBondContact CG2-OH 3.42Å
411K96.8Very high94.7Very high99 Ų9938.6 Ų38.643%0.4321%0.206SC..EExtended strand (participates in β ladder)trans-90.6127.5170175.1-179.3172.8-177.80109P391 V400 V404P391-K411 HydrophobicContact CG-CD 4.36Å; P391-K411 HydrophobicContact CG-CG 4.44Å; V400-K411 HydrophobicContact CG1-CB 3.7Å; V400-K411 HydrophobicContact CG1-CD 3.94Å; V400-K411 HydrophobicContact CG1-CG 3.82Å; V404-K411 HydrophobicContact CG2-CB 3.82Å
412L95.3Very high94.8Very high25 Ų2536 Ų3613%0.13119%0.193CC..  trans-112145.6162.7-67-178.3000109L388 M389 F390 V410 M417 L422L388-L412 HydrophobicContact CD1-CD1 3.79Å; L388-L412 HydrophobicContact CD1-CG 3.8Å; L388-L412 HydrophobicContact CD2-CD1 4.03Å; L388-L412 HydrophobicContact CG-CD1 4.16Å; M389-L412 PolarHBondContact O-N 2.91Å; M389-L412 VanDerWaalsContact O-O 3.12Å; F390-L412 HydrophobicContact CD1-CB 3.92Å; F390-L412 HydrophobicContact CE1-CB 3.61Å; F390-L412 HydrophobicContact CE1-CD1 3.87Å; F390-L412 HydrophobicContact CE1-CG 4.3Å; F390-L412 HydrophobicContact CZ-CB 4.48Å; F390-L412 HydrophobicContact CZ-CD1 4.2Å; V410-L412 HydrophobicContact CG1-CD2 4.39Å; V410-L412 HydrophobicContact CG1-CG 4.49Å; L412-M417 HydrophobicContact CD1-SD 4.48Å; L412-L422 HydrophobicContact CD1-CD1 4.07Å
413N88.7Confident94.8Very high32 Ų3235.1 Ų35.117%0.17119%0.19CC..  trans-94.4121.9177.6-172.717.3000108.9Q102 F415 D416 M417Q102-N413 PolarHBondContact OE1-ND2 2.92Å; N413-F415 PolarHBondContact O-N 2.66Å; N413-F415 WeakPolarHBondContact OD1-CD2 3.42Å; N413-F415 VanDerWaalsContact OD1-CE2 3.28Å; N413-F415 WeakPolarHBondContact OD1-CE2 3.17Å; N413-D416 WeakPolarHBondContact CB-OD1 3.43Å; N413-D416 PolarHBondContact ND2-OD1 2.7Å; N413-D416 PolarHBondContact ND2-OD2 3.17Å; N413-M417 WeakPolarHBondContact O-CB 3.23Å; N413-M417 PolarHBondContact O-N 3.14Å
414I87.3Confident94.8Very high0 Ų039.8 Ų39.80%022%0.215CC..THydrogen-bonded Turntrans-72.3-20.4-168.4-158.7162.3000112.6F99 K317 F390 L392F99-I414 HydrophobicContact CD1-CD1 3.72Å; F99-I414 HydrophobicContact CD1-CG1 4.13Å; F99-I414 HydrophobicContact CD1-CG2 4.41Å; F99-I414 HydrophobicContact CE1-CD1 3.51Å; F99-I414 HydrophobicContact CE1-CG1 4.4Å; K317-I414 PolarHBondContact NZ-O 3.12Å; F390-I414 HydrophobicContact CB-CD1 4.29Å; L392-I414 HydrophobicContact CD2-CB 4.48Å; L392-I414 HydrophobicContact CD2-CD1 3.8Å; L392-I414 HydrophobicContact CD2-CG2 3.87Å
415F83.1Confident94.8Very high34 Ų3437.4 Ų37.415%0.14920%0.202CC..THydrogen-bonded Turntrans-71.9-40.3-177.3-50.1-64.4000112.4L98 Q101 Q102 K317 N413L98-F415 WeakPolarHBondContact O-CE1 3.48Å; Q101-F415 VanDerWaalsContact C-CD1 3.5Å; Q101-F415 WeakPolarHBondContact O-CE1 3.31Å; Q101-F415 VanDerWaalsContact O-CZ 3.27Å; Q101-F415 WeakPolarHBondContact O-CZ 3.24Å; Q102-F415 VanDerWaalsContact CA-CE2 3.46Å; Q102-F415 HydrophobicContact CB-CD2 3.76Å; Q102-F415 HydrophobicContact CB-CE2 3.99Å; Q102-F415 HydrophobicContact CG-CD2 4.37Å; Q102-F415 HydrophobicContact CG-CE2 4.27Å; K317-F415 PolarHBondContact NZ-O 2.63Å; N413-F415 PolarHBondContact O-N 2.66Å; N413-F415 WeakPolarHBondContact OD1-CD2 3.42Å; N413-F415 VanDerWaalsContact OD1-CE2 3.28Å; N413-F415 WeakPolarHBondContact OD1-CE2 3.17Å
416D83.4Confident94.9Very high104 Ų10434.5 Ų34.556%0.55618%0.182SC*.THydrogen-bonded Turntrans-118.3-0.3-167.546-17.4000112.8N413N413-D416 WeakPolarHBondContact CB-OD1 3.43Å; N413-D416 PolarHBondContact ND2-OD1 2.7Å; N413-D416 PolarHBondContact ND2-OD2 3.17Å
417M91.1Very high95Very high7 Ų736.9 Ų36.93%0.03419%0.193CC..  trans-59.8137.6169.7173.4-17171.800112Q320 F321 F390 L412 N413 T421 L422Q320-M417 PolarHBondContact NE2-O 3.26Å; Q320-M417 PolarHBondContact OE1-O 3.06Å; F321-M417 HydrophobicContact CD2-CE 4.07Å; F321-M417 HydrophobicContact CE1-CE 4.01Å; F321-M417 HydrophobicContact CE1-SD 4.23Å; F321-M417 HydrophobicContact CE2-CE 3.35Å; F321-M417 HydrophobicContact CZ-CE 3.31Å; F321-M417 HydrophobicContact CZ-SD 3.96Å; F390-M417 HydrophobicContact CD1-SD 4.34Å; F390-M417 HydrophobicContact CE1-SD 3.62Å; F390-M417 HydrophobicContact CZ-SD 4.47Å; L412-M417 HydrophobicContact CD1-SD 4.48Å; N413-M417 WeakPolarHBondContact O-CB 3.23Å; N413-M417 PolarHBondContact O-N 3.14Å; M417-T421 WeakPolarHBondContact CG-OG1 3.33Å; M417-L422 HydrophobicContact CG-CB 4.16Å; M417-L422 HydrophobicContact SD-CB 3.91Å; M417-L422 HydrophobicContact SD-CD1 4.11Å; M417-L422 HydrophobicContact SD-CD2 4.13Å; M417-L422 HydrophobicContact SD-CG 4.28Å
418T95.1Very high95Very high52 Ų5241.1 Ų41.132%0.31921%0.207SC..  trans-110.8167.5164.7800000111E420 T421 L422T418-E420 VanDerWaalsContact CB-OE2 3.31Å; T418-E420 WeakPolarHBondContact CB-OE2 3.45Å; T418-E420 PolarHBondContact O-N 3.15Å; T418-E420 PolarHBondContact OG1-N 2.91Å; T418-E420 PolarHBondContact OG1-OE2 2.98Å; T418-T421 PolarHBondContact N-OG1 3.42Å; T418-T421 PolarHBondContact O-N 3.01Å; T418-T421 PolarHBondContact O-OG1 3.48Å; T418-T421 PolarHBondContact OG1-N 2.62Å; T418-L422 PolarHBondContact O-N 2.98Å
419T97.3Very high95Very high16 Ų1641.1 Ų41.110%0.09821%0.207CC..Hα-helixtrans-49.4-45.2171.8-58.90000112D323 A324 Q327 L422 V423D323-T419 HydrophobicContact CB-CG2 3.81Å; A324-T419 HydrophobicContact CB-CG2 4Å; Q327-T419 VanDerWaalsContact NE2-CG2 3.29Å; T419-L422 WeakPolarHBondContact O-CB 3.38Å; T419-L422 PolarHBondContact O-N 2.88Å; T419-V423 WeakPolarHBondContact O-CG2 3.46Å; T419-V423 PolarHBondContact O-N 3.16Å
420E97.7Very high94.9Very high109 Ų10942.7 Ų42.751%0.50922%0.215SC..Hα-helixtrans-67.5-47.7-177.7-6068.1-147.300110.8T418 L422 V423 D424T418-E420 VanDerWaalsContact CB-OE2 3.31Å; T418-E420 WeakPolarHBondContact CB-OE2 3.45Å; T418-E420 PolarHBondContact O-N 3.15Å; T418-E420 PolarHBondContact OG1-N 2.91Å; T418-E420 PolarHBondContact OG1-OE2 2.98Å; E420-L422 PolarHBondContact O-N 3.45Å; E420-V423 PolarHBondContact O-N 3.09Å; E420-V423 VanDerWaalsContact O-N 3.14Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.97Å
421T97.1Very high94.9Very high56 Ų5648.2 Ų48.234%0.34424%0.235SC..Hα-helixtrans-61-32.7177.662.30000112.4M417 T418 G425M417-T421 WeakPolarHBondContact CG-OG1 3.33Å; T418-T421 PolarHBondContact N-OG1 3.42Å; T418-T421 PolarHBondContact O-N 3.01Å; T418-T421 PolarHBondContact O-OG1 3.48Å; T418-T421 PolarHBondContact OG1-N 2.62Å; T421-G425 PolarHBondContact O-N 3.27Å
422L98Very high95Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-69.7-46.4174.9177.357.1000111.6F321 A324 M369 L388 F390 L412 M417 T418 T419 E420 D424 G425 L426F321-L422 HydrophobicContact CB-CD2 4.38Å; F321-L422 HydrophobicContact CD1-CD1 4.49Å; F321-L422 HydrophobicContact CD1-CD2 3.34Å; F321-L422 HydrophobicContact CE1-CD1 4.24Å; F321-L422 HydrophobicContact CE1-CD2 3.75Å; F321-L422 HydrophobicContact CG-CD2 3.98Å; A324-L422 HydrophobicContact CB-CB 4.13Å; A324-L422 HydrophobicContact CB-CD2 3.46Å; A324-L422 VanDerWaalsContact CB-CD2 3.46Å; A324-L422 HydrophobicContact CB-CG 3.77Å; M369-L422 HydrophobicContact CE-CD1 3.83Å; L388-L422 HydrophobicContact CD2-CD1 3.73Å; F390-L422 HydrophobicContact CE1-CD1 4.27Å; F390-L422 HydrophobicContact CZ-CD1 3.78Å; L412-L422 HydrophobicContact CD1-CD1 4.07Å; M417-L422 HydrophobicContact CG-CB 4.16Å; M417-L422 HydrophobicContact SD-CB 3.91Å; M417-L422 HydrophobicContact SD-CD1 4.11Å; M417-L422 HydrophobicContact SD-CD2 4.13Å; M417-L422 HydrophobicContact SD-CG 4.28Å; T418-L422 PolarHBondContact O-N 2.98Å; T419-L422 WeakPolarHBondContact O-CB 3.38Å; T419-L422 PolarHBondContact O-N 2.88Å; E420-L422 PolarHBondContact O-N 3.45Å; L422-D424 VanDerWaalsContact C-N 3.33Å; L422-D424 PolarHBondContact O-N 3.16Å; L422-G425 PolarHBondContact O-N 3.4Å; L422-L426 HydrophobicContact CD1-CD1 4.29Å; L422-L426 HydrophobicContact CD1-CG 4.4Å; L422-L426 HydrophobicContact CG-CD1 4.33Å; L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 WeakPolarHBondContact O-CG 3.33Å; L422-L426 PolarHBondContact O-N 3.47Å
423V98.4Very high95.1Very high2 Ų253.2 Ų53.21%0.01226%0.259CS..Hα-helixtrans-60.1-44.8175.8171.10000110.7A324 Q327 I328 T419 E420 L426 K427A324-V423 HydrophobicContact CB-CG2 3.76Å; Q327-V423 HydrophobicContact CB-CG2 4.01Å; I328-V423 HydrophobicContact CG2-CG1 4.48Å; T419-V423 WeakPolarHBondContact O-CG2 3.46Å; T419-V423 PolarHBondContact O-N 3.16Å; E420-V423 PolarHBondContact O-N 3.09Å; E420-V423 VanDerWaalsContact O-N 3.14Å; V423-L426 PolarHBondContact O-N 2.78Å; V423-K427 HydrophobicContact CG1-CD 3.99Å; V423-K427 HydrophobicContact CG1-CG 4.35Å; V423-K427 WeakPolarHBondContact O-CB 3.45Å; V423-K427 VanDerWaalsContact O-CG 3.31Å; V423-K427 WeakPolarHBondContact O-CG 3.37Å; V423-K427 PolarHBondContact O-N 3.32Å
424D98.1Very high95.5Very high98 Ų9852 Ų5252%0.52426%0.255SS..Hα-helixtrans-65.8-42.1179-71.1-18.1000111.7E420 L422 L426 K427 K428E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.97Å; L422-D424 VanDerWaalsContact C-N 3.33Å; L422-D424 PolarHBondContact O-N 3.16Å; D424-L426 PolarHBondContact O-N 3.27Å; D424-K427 PolarHBondContact O-N 3.42Å; D424-K428 VanDerWaalsContact O-CB 3.26Å; D424-K428 WeakPolarHBondContact O-CB 3.32Å; D424-K428 PolarHBondContact O-N 2.96Å
425G97.9Very high96.1Very high6 Ų653.1 Ų53.16%0.06226%0.259CS..Hα-helixtrans-58.9-44.4173.300000112.4T421 L422 K428 V429T421-G425 PolarHBondContact O-N 3.27Å; L422-G425 PolarHBondContact O-N 3.4Å; G425-K428 PolarHBondContact O-N 3.39Å; G425-V429 WeakPolarHBondContact O-CG2 3.46Å; G425-V429 PolarHBondContact O-N 3.3Å; G425-V429 VanDerWaalsContact O-N 3.08Å
426L98.4Very high96.8Very high0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-64.2-50.4175.8-76.4170.3000111.9I302 F325 I328 V367 M369 L388 L422 V423 D424 K428 V429 I430I302-L426 HydrophobicContact CD1-CD1 4.35Å; I302-L426 HydrophobicContact CD1-CD2 3.88Å; F325-L426 HydrophobicContact CD1-CD1 4.46Å; F325-L426 HydrophobicContact CE1-CD1 4.26Å; I328-L426 HydrophobicContact CD1-CD1 3.9Å; V367-L426 HydrophobicContact CG1-CD2 4.27Å; M369-L426 HydrophobicContact CG-CD2 4.16Å; M369-L426 HydrophobicContact SD-CD1 4.46Å; M369-L426 HydrophobicContact SD-CD2 3.87Å; L388-L426 HydrophobicContact CD2-CD2 3.67Å; L388-L426 HydrophobicContact CD2-CG 3.71Å; L422-L426 HydrophobicContact CD1-CD1 4.29Å; L422-L426 HydrophobicContact CD1-CG 4.4Å; L422-L426 HydrophobicContact CG-CD1 4.33Å; L422-L426 WeakPolarHBondContact O-CB 3.43Å; L422-L426 WeakPolarHBondContact O-CG 3.33Å; L422-L426 PolarHBondContact O-N 3.47Å; V423-L426 PolarHBondContact O-N 2.78Å; D424-L426 PolarHBondContact O-N 3.27Å; L426-K428 PolarHBondContact O-N 3.18Å; L426-V429 PolarHBondContact O-N 2.97Å; L426-I430 HydrophobicContact CB-CD1 4.39Å; L426-I430 WeakPolarHBondContact O-CB 3.49Å; L426-I430 WeakPolarHBondContact O-CD1 3.35Å; L426-I430 WeakPolarHBondContact O-CG1 3.34Å; L426-I430 PolarHBondContact O-N 3.3Å
427K98.1Very high97.5Very high98 Ų9856.6 Ų56.643%0.42627%0.271SS..Hα-helixtrans-56.1-42.8177.1-75.1178.4177.4170.80111V423 D424 I430 Y431V423-K427 HydrophobicContact CG1-CD 3.99Å; V423-K427 HydrophobicContact CG1-CG 4.35Å; V423-K427 WeakPolarHBondContact O-CB 3.45Å; V423-K427 VanDerWaalsContact O-CG 3.31Å; V423-K427 WeakPolarHBondContact O-CG 3.37Å; V423-K427 PolarHBondContact O-N 3.32Å; D424-K427 PolarHBondContact O-N 3.42Å; K427-I430 PolarHBondContact O-N 2.85Å; K427-Y431 HydrophobicContact CB-CD2 3.98Å; K427-Y431 HydrophobicContact CB-CE2 4.25Å; K427-Y431 HydrophobicContact CG-CD2 4.26Å; K427-Y431 HydrophobicContact CG-CE2 4.03Å; K427-Y431 WeakPolarHBondContact O-CB 3.3Å; K427-Y431 WeakPolarHBondContact O-CD2 3.3Å; K427-Y431 PolarHBondContact O-N 3.45Å
428K98.1Very high97.9Very high106 Ų10660.8 Ų60.846%0.46129%0.286SS..Hα-helixtrans-58.9-54.7176.9-175.2174.1-176.9-178.90111.3V410 D424 G425 L426 I430 D432 Y435V410-K428 HydrophobicContact CG2-CD 4.21Å; D424-K428 VanDerWaalsContact O-CB 3.26Å; D424-K428 WeakPolarHBondContact O-CB 3.32Å; D424-K428 PolarHBondContact O-N 2.96Å; G425-K428 PolarHBondContact O-N 3.39Å; L426-K428 PolarHBondContact O-N 3.18Å; K428-I430 VanDerWaalsContact C-N 3.3Å; K428-I430 PolarHBondContact O-N 3.21Å; K428-D432 WeakPolarHBondContact O-CB 3.34Å; K428-D432 PolarHBondContact O-N 2.92Å; K428-Y435 HydrophobicContact CD-CE2 4.44Å; K428-Y435 VanDerWaalsContact CE-OH 3.27Å; K428-Y435 WeakPolarHBondContact CE-OH 3.46Å; K428-Y435 HydrophobicContact CG-CE2 3.92Å
429V98Very high98Very high2 Ų258.3 Ų58.31%0.01227%0.271CS..Hα-helixtrans-65.3-33.7-178-178.60000112.3V367 P386 L388 V410 G425 L426V367-V429 HydrophobicContact CG1-CG1 4.16Å; V367-V429 HydrophobicContact CG2-CB 4.24Å; V367-V429 HydrophobicContact CG2-CG1 3.84Å; P386-V429 HydrophobicContact CB-CG1 3.72Å; P386-V429 HydrophobicContact CG-CG1 3.82Å; L388-V429 HydrophobicContact CD1-CG2 4.47Å; V410-V429 HydrophobicContact CB-CG2 3.83Å; V410-V429 HydrophobicContact CG2-CG2 3.51Å; G425-V429 WeakPolarHBondContact O-CG2 3.46Å; G425-V429 PolarHBondContact O-N 3.3Å; G425-V429 VanDerWaalsContact O-N 3.08Å; L426-V429 PolarHBondContact O-N 2.97Å
430I97.8Very high98.1Very high34 Ų3459.9 Ų59.917%0.17428%0.281CS..Hα-helixtrans-76.1-45.8-178.3-67.4167.3000112.1I302 Q330 V367 L426 K427 K428I302-I430 HydrophobicContact CD1-CD1 4.36Å; Q330-I430 HydrophobicContact CG-CD1 4.08Å; V367-I430 HydrophobicContact CG2-CD1 4.09Å; V367-I430 HydrophobicContact CG2-CG1 3.35Å; L426-I430 HydrophobicContact CB-CD1 4.39Å; L426-I430 WeakPolarHBondContact O-CB 3.49Å; L426-I430 WeakPolarHBondContact O-CD1 3.35Å; L426-I430 WeakPolarHBondContact O-CG1 3.34Å; L426-I430 PolarHBondContact O-N 3.3Å; K427-I430 PolarHBondContact O-N 2.85Å; K428-I430 VanDerWaalsContact C-N 3.3Å; K428-I430 PolarHBondContact O-N 3.21Å
431Y97.6Very high98.1Very high133 Ų13360 Ų6052%0.52228%0.282SS..Hα-helixtrans-100.6-22.4-167.6-59.5-60.8000114K427 K433K427-Y431 HydrophobicContact CB-CD2 3.98Å; K427-Y431 HydrophobicContact CB-CE2 4.25Å; K427-Y431 HydrophobicContact CG-CD2 4.26Å; K427-Y431 HydrophobicContact CG-CE2 4.03Å; K427-Y431 WeakPolarHBondContact O-CB 3.3Å; K427-Y431 WeakPolarHBondContact O-CD2 3.3Å; K427-Y431 PolarHBondContact O-N 3.45Å; Y431-K433 PolarHBondContact O-N 3.43Å
432D98.1Very high98.2Very high73 Ų7358.4 Ų58.439%0.3927%0.271SS..  trans-78.6101168.7-179.4-8.5000109.4K428 G434 Y435K428-D432 WeakPolarHBondContact O-CB 3.34Å; K428-D432 PolarHBondContact O-N 2.92Å; D432-G434 PolarHBondContact O-N 2.88Å; D432-G434 PolarHBondContact OD1-N 3.41Å; D432-Y435 HydrophobicContact CB-CD2 3.91Å; D432-Y435 HydrophobicContact CB-CE2 4.21Å; D432-Y435 PolarHBondContact O-N 2.9Å; D432-Y435 VanDerWaalsContact O-N 3.17Å
433K97Very high98.2Very high155 Ų15559 Ų5967%0.67427%0.274SS*.Hα-helixtrans-55.5-26.3-178-66.1-175.7179.1-179.40113.2Y431 Y435 K436 E437Y431-K433 PolarHBondContact O-N 3.43Å; K433-Y435 PolarHBondContact O-N 3.35Å; K433-K436 PolarHBondContact O-N 3.21Å; K433-E437 WeakPolarHBondContact O-CG 3.33Å; K433-E437 PolarHBondContact O-N 3.07Å
434G98.4Very high98.1Very high8 Ų864.9 Ų64.98%0.08230%0.302CS..Hα-helixtrans-59.4-31.8-179.400000113D432 R438D432-G434 PolarHBondContact O-N 2.88Å; D432-G434 PolarHBondContact OD1-N 3.41Å; G434-R438 VanDerWaalsContact C-CZ 3.47Å; G434-R438 VanDerWaalsContact C-NH2 3.34Å; G434-R438 WeakPolarHBondContact O-CB 3.37Å; G434-R438 WeakPolarHBondContact O-CG 3.28Å; G434-R438 PolarHBondContact O-N 2.86Å; G434-R438 VanDerWaalsContact O-N 3.09Å; G434-R438 PolarHBondContact O-NE 3.08Å; G434-R438 PolarHBondContact O-NH2 3.36Å
435Y98.6Very high98.1Very high22 Ų2264.9 Ų64.99%0.08630%0.301CS..Hα-helixtrans-66.2-45.3174.4-74.8-79.7000111.9G407 V410 K428 D432 K433 I439G407-Y435 WeakPolarHBondContact O-CD1 3.22Å; G407-Y435 WeakPolarHBondContact O-CE1 3.46Å; V410-Y435 HydrophobicContact CG2-CE1 3.84Å; V410-Y435 HydrophobicContact CG2-CE2 4.35Å; V410-Y435 VanDerWaalsContact CG2-OH 3.29Å; V410-Y435 WeakPolarHBondContact CG2-OH 3.42Å; K428-Y435 HydrophobicContact CD-CE2 4.44Å; K428-Y435 VanDerWaalsContact CE-OH 3.27Å; K428-Y435 WeakPolarHBondContact CE-OH 3.46Å; K428-Y435 HydrophobicContact CG-CE2 3.92Å; D432-Y435 HydrophobicContact CB-CD2 3.91Å; D432-Y435 HydrophobicContact CB-CE2 4.21Å; D432-Y435 PolarHBondContact O-N 2.9Å; D432-Y435 VanDerWaalsContact O-N 3.17Å; K433-Y435 PolarHBondContact O-N 3.35Å; Y435-I439 VanDerWaalsContact O-CG2 3.29Å; Y435-I439 WeakPolarHBondContact O-CG2 3.46Å; Y435-I439 PolarHBondContact O-N 2.81Å; Y435-I439 VanDerWaalsContact O-N 3.11Å
436K98.2Very high98Very high88 Ų8864.8 Ų64.838%0.38330%0.299SS..Hα-helixtrans-68.6-41.9179.4-177.561178.4-1770111.6G384 K433 I439 V440G384-K436 PolarHBondContact O-NZ 3.29Å; K433-K436 PolarHBondContact O-N 3.21Å; K436-I439 HydrophobicContact CD-CG2 4.28Å; K436-I439 VanDerWaalsContact O-CG2 3.29Å; K436-I439 WeakPolarHBondContact O-CG2 3.17Å; K436-V440 HydrophobicContact CD-CG2 4.14Å; K436-V440 WeakPolarHBondContact O-CB 3.43Å; K436-V440 VanDerWaalsContact O-CG2 3.31Å; K436-V440 WeakPolarHBondContact O-CG2 3.4Å; K436-V440 PolarHBondContact O-N 2.97Å
437E98.6Very high97.9Very high123 Ų12368.5 Ų68.558%0.57532%0.318SS*.Hα-helixtrans-60.8-51.3178.1-72.1165.8-175.700110.9K433 I439 V440 E441K433-E437 WeakPolarHBondContact O-CG 3.33Å; K433-E437 PolarHBondContact O-N 3.07Å; E437-I439 PolarHBondContact O-N 2.85Å; E437-V440 PolarHBondContact O-N 2.61Å; E437-E441 PolarHBondContact O-N 2.81Å
438R98.7Very high97.8Very high95 Ų9570.8 Ų70.836%0.35834%0.335SS..Hα-helixtrans-65.3-37.3-179.8-72.3-175.9-67.2-92.9-0.1113.5G407 V408 G434 L442G407-R438 PolarHBondContact O-NE 2.83Å; G407-R438 PolarHBondContact O-NH2 2.87Å; V408-R438 HydrophobicContact CG1-CB 3.69Å; G434-R438 VanDerWaalsContact C-CZ 3.47Å; G434-R438 VanDerWaalsContact C-NH2 3.34Å; G434-R438 WeakPolarHBondContact O-CB 3.37Å; G434-R438 WeakPolarHBondContact O-CG 3.28Å; G434-R438 PolarHBondContact O-N 2.86Å; G434-R438 VanDerWaalsContact O-N 3.09Å; G434-R438 PolarHBondContact O-NE 3.08Å; G434-R438 PolarHBondContact O-NH2 3.36Å; R438-L442 VanDerWaalsContact O-CB 3.25Å; R438-L442 WeakPolarHBondContact O-CB 3.48Å; R438-L442 PolarHBondContact O-N 2.81Å
439I98.6Very high97.5Very high0 Ų068 Ų680%032%0.322CS..Hα-helixtrans-72.9-31.7178.2-168.366.4000111.7I381 G384 P386 M387 M403 V408 Y435 K436 E437 L442 S443I381-I439 HydrophobicContact CG1-CD1 4.14Å; G384-I439 VanDerWaalsContact O-CG2 3.27Å; G384-I439 WeakPolarHBondContact O-CG2 3.31Å; P386-I439 HydrophobicContact CB-CG2 4.05Å; P386-I439 HydrophobicContact CG-CG2 4.42Å; M387-I439 HydrophobicContact CE-CD1 4.45Å; M403-I439 HydrophobicContact CE-CD1 4.3Å; V408-I439 HydrophobicContact CB-CB 4.02Å; V408-I439 HydrophobicContact CB-CD1 3.83Å; V408-I439 HydrophobicContact CB-CG1 4.44Å; V408-I439 HydrophobicContact CG1-CB 3.93Å; V408-I439 HydrophobicContact CG1-CD1 4.12Å; V408-I439 HydrophobicContact CG2-CD1 4.04Å; Y435-I439 VanDerWaalsContact O-CG2 3.29Å; Y435-I439 WeakPolarHBondContact O-CG2 3.46Å; Y435-I439 PolarHBondContact O-N 2.81Å; Y435-I439 VanDerWaalsContact O-N 3.11Å; K436-I439 HydrophobicContact CD-CG2 4.28Å; K436-I439 VanDerWaalsContact O-CG2 3.29Å; K436-I439 WeakPolarHBondContact O-CG2 3.17Å; E437-I439 PolarHBondContact O-N 2.85Å; I439-L442 HydrophobicContact CD1-CD2 4.15Å; I439-L442 PolarHBondContact O-N 3.41Å; I439-S443 VanDerWaalsContact O-CB 3.27Å; I439-S443 WeakPolarHBondContact O-CB 3.32Å; I439-S443 PolarHBondContact O-N 2.95Å
440V98.5Very high97.4Very high50 Ų5074.5 Ų74.530%0.30336%0.364SS..Hα-helixtrans-68.5-43173.3169.10000110.5K436 E437 L442 S443 Q444K436-V440 HydrophobicContact CD-CG2 4.14Å; K436-V440 WeakPolarHBondContact O-CB 3.43Å; K436-V440 VanDerWaalsContact O-CG2 3.31Å; K436-V440 WeakPolarHBondContact O-CG2 3.4Å; K436-V440 PolarHBondContact O-N 2.97Å; E437-V440 PolarHBondContact O-N 2.61Å; V440-L442 VanDerWaalsContact C-N 3.35Å; V440-L442 PolarHBondContact O-N 2.91Å; V440-S443 VanDerWaalsContact O-CB 3.32Å; V440-S443 WeakPolarHBondContact O-CB 3.31Å; V440-S443 PolarHBondContact O-N 2.97Å; V440-Q444 WeakPolarHBondContact O-CG 3.09Å; V440-Q444 PolarHBondContact O-N 3.45Å
441E98.4Very high97.3Very high112 Ų11276.1 Ų76.152%0.52338%0.375SS..Hα-helixtrans-57.9-48.5172.3-178.2-176.7179.300111.1E437 S443 Q444 I445E437-E441 PolarHBondContact O-N 2.81Å; E441-S443 VanDerWaalsContact C-N 3.28Å; E441-S443 PolarHBondContact O-N 2.94Å; E441-Q444 WeakPolarHBondContact O-CB 3.27Å; E441-Q444 PolarHBondContact O-N 3.44Å; E441-I445 HydrophobicContact CG-CD1 4.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.34Å; E441-I445 PolarHBondContact O-N 3.38Å
442L98Very high97.2Very high22 Ų2273.3 Ų73.312%0.11537%0.367CS..Hα-helixtrans-61.2-37.7178.4-166.667.9000112.2V260 I381 M403 V408 R438 I439 V440 H446V260-L442 HydrophobicContact CB-CD1 4.31Å; V260-L442 HydrophobicContact CG1-CD1 3.32Å; V260-L442 HydrophobicContact CG1-CD2 4.09Å; V260-L442 HydrophobicContact CG1-CG 3.36Å; I381-L442 HydrophobicContact CG1-CD2 4.35Å; M403-L442 HydrophobicContact CE-CD2 4.34Å; V408-L442 HydrophobicContact CG1-CD2 4.25Å; V408-L442 HydrophobicContact CG2-CD2 4.14Å; R438-L442 VanDerWaalsContact O-CB 3.25Å; R438-L442 WeakPolarHBondContact O-CB 3.48Å; R438-L442 PolarHBondContact O-N 2.81Å; I439-L442 HydrophobicContact CD1-CD2 4.15Å; I439-L442 PolarHBondContact O-N 3.41Å; V440-L442 VanDerWaalsContact C-N 3.35Å; V440-L442 PolarHBondContact O-N 2.91Å; L442-H446 WeakPolarHBondContact O-CB 3.49Å; L442-H446 PolarHBondContact O-N 3.4Å
443S97.7Very high97.1Very high11 Ų1170.1 Ų70.18%0.07735%0.35CS..Hα-helixtrans-62.2-47.6173.9-1700000111.8I381 C382 I439 V440 E441 I445 H446 L447I381-S443 WeakPolarHBondContact O-CA 3.42Å; I381-S443 WeakPolarHBondContact O-CB 3.33Å; I381-S443 PolarHBondContact O-OG 2.93Å; C382-S443 PolarHBondContact O-OG 2.84Å; I439-S443 VanDerWaalsContact O-CB 3.27Å; I439-S443 WeakPolarHBondContact O-CB 3.32Å; I439-S443 PolarHBondContact O-N 2.95Å; V440-S443 VanDerWaalsContact O-CB 3.32Å; V440-S443 WeakPolarHBondContact O-CB 3.31Å; V440-S443 PolarHBondContact O-N 2.97Å; E441-S443 VanDerWaalsContact C-N 3.28Å; E441-S443 PolarHBondContact O-N 2.94Å; S443-I445 VanDerWaalsContact C-N 3.33Å; S443-I445 PolarHBondContact O-N 3.21Å; S443-H446 PolarHBondContact O-N 3.37Å; S443-H446 VanDerWaalsContact O-N 3.15Å; S443-L447 WeakPolarHBondContact O-CB 3.45Å; S443-L447 VanDerWaalsContact O-CG 3.29Å; S443-L447 WeakPolarHBondContact O-CG 2.88Å; S443-L447 PolarHBondContact O-N 3.06Å
444Q97.7Very high97.1Very high126 Ų12664.1 Ų64.159%0.58933%0.325SS*.Hα-helixtrans-59.1-45178.5-72.4169.1-10.800111.1V440 E441 H446 L447 D448V440-Q444 WeakPolarHBondContact O-CG 3.09Å; V440-Q444 PolarHBondContact O-N 3.45Å; E441-Q444 WeakPolarHBondContact O-CB 3.27Å; E441-Q444 PolarHBondContact O-N 3.44Å; Q444-H446 VanDerWaalsContact C-N 3.34Å; Q444-H446 PolarHBondContact O-N 2.93Å; Q444-L447 PolarHBondContact O-N 3.17Å; Q444-D448 VanDerWaalsContact O-CB 3.31Å; Q444-D448 WeakPolarHBondContact O-CB 3.4Å; Q444-D448 PolarHBondContact O-N 3.33Å
445I97.6Very high97Very high98 Ų9866.8 Ų66.850%0.50334%0.338SS..Hα-helixtrans-62.5-41176.5-63.3166.9000111.3V260 E441 S443V260-I445 HydrophobicContact CG2-CB 4.39Å; V260-I445 HydrophobicContact CG2-CG2 3.75Å; E441-I445 HydrophobicContact CG-CD1 4.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.34Å; E441-I445 PolarHBondContact O-N 3.38Å; S443-I445 VanDerWaalsContact C-N 3.33Å; S443-I445 PolarHBondContact O-N 3.21Å
446H96.6Very high97Very high4 Ų467.7 Ų67.72%0.01934%0.344CS..Hα-helixtrans-67.8-38.4179.9-179.469.7000113.4D258 V260 G275 Y378 I381 C382 L442 S443 Q444 R449D258-H446 IonicContact OD2-CE1 3.76Å; D258-H446 PolarHBondContact OD2-CE1 2.81Å; D258-H446 IonicContact OD2-ND1 3.33Å; D258-H446 PolarHBondContact OD2-ND1 3.09Å; V260-H446 HydrophobicContact CB-CB 4.3Å; V260-H446 HydrophobicContact CG1-CB 3.91Å; V260-H446 HydrophobicContact CG2-CB 4.08Å; G275-H446 PolarHBondContact O-CE1 3.2Å; Y378-H446 AromaticContact CD1-CE1 3.62Å; Y378-H446 AromaticContact CD1-NE2 3.92Å; Y378-H446 AromaticContact CE1-CE1 3.45Å; Y378-H446 VanDerWaalsContact CE1-CE1 3.45Å; Y378-H446 WeakPolarHBondContact CE1-CE1 3.26Å; Y378-H446 AromaticContact CE1-ND1 3.93Å; I381-H446 HydrophobicContact CG2-CB 3.85Å; C382-H446 PolarHBondContact SG-CD2 2.91Å; C382-H446 PolarHBondContact SG-NE2 2.55Å; L442-H446 WeakPolarHBondContact O-CB 3.49Å; L442-H446 PolarHBondContact O-N 3.4Å; S443-H446 PolarHBondContact O-N 3.37Å; S443-H446 VanDerWaalsContact O-N 3.15Å; Q444-H446 VanDerWaalsContact C-N 3.34Å; Q444-H446 PolarHBondContact O-N 2.93Å; H446-R449 PolarHBondContact CD2-NH2 2.9Å; H446-R449 PolarHBondContact CE1-NH1 2.75Å; H446-R449 PolarHBondContact NE2-NH1 3.07Å; H446-R449 VanDerWaalsContact NE2-NH1 3.18Å; H446-R449 PolarHBondContact NE2-NH2 2.7Å; H446-R449 PolarHBondContact O-NE 3.05Å; H446-R449 PolarHBondContact O-NH1 3.48Å
447L95.3Very high97Very high78 Ų7863.5 Ų63.541%0.40833%0.325SS..Hα-helixtrans-82.1-20.4-178-64.6175.4000112.6S443 Q444 R449S443-L447 WeakPolarHBondContact O-CB 3.45Å; S443-L447 VanDerWaalsContact O-CG 3.29Å; S443-L447 WeakPolarHBondContact O-CG 2.88Å; S443-L447 PolarHBondContact O-N 3.06Å; Q444-L447 PolarHBondContact O-N 3.17Å; L447-R449 PolarHBondContact O-N 3.29Å
448D96.1Very high96.9Very high146 Ų14657.6 Ų57.678%0.78130%0.298SS*.  trans-78.283.6176.3-169.814.2000111.3Q444Q444-D448 VanDerWaalsContact O-CB 3.31Å; Q444-D448 WeakPolarHBondContact O-CB 3.4Å; Q444-D448 PolarHBondContact O-N 3.33Å
449R93.1Very high96.9Very high49 Ų4957.7 Ų57.719%0.18530%0.301CS..  trans-141150.8-177.658.7-174.8147-145.9-7.5111.9G275 H446 L447 V451 E452G275-R449 PolarHBondContact O-NH1 3.27Å; H446-R449 PolarHBondContact CD2-NH2 2.9Å; H446-R449 PolarHBondContact CE1-NH1 2.75Å; H446-R449 PolarHBondContact NE2-NH1 3.07Å; H446-R449 VanDerWaalsContact NE2-NH1 3.18Å; H446-R449 PolarHBondContact NE2-NH2 2.7Å; H446-R449 PolarHBondContact O-NE 3.05Å; H446-R449 PolarHBondContact O-NH1 3.48Å; L447-R449 PolarHBondContact O-N 3.29Å; R449-V451 WeakPolarHBondContact CD-O 3.4Å; R449-E452 IonicContact NE-OE1 3.92Å; R449-E452 IonicContact NE-OE2 2.66Å; R449-E452 IonicContact NH2-OE2 2.99Å
450P94.7Very high96.9Very high137 Ų13759.8 Ų59.889%0.8931%0.309SS*.SBendtrans-74.4-26.9-178.528.7-35.4000113.6
451V95.7Very high96.9Very high69 Ų6957.4 Ų57.442%0.41830%0.295SS..SBendtrans-138.5132.5-176.8-173.20000108.9R449 D455 L456R449-V451 WeakPolarHBondContact CD-O 3.4Å; V451-D455 HydrophobicContact CG1-CB 4.06Å; V451-L456 HydrophobicContact CG1-CB 3.98Å
452E94.9Very high96.9Very high74 Ų7453.6 Ų53.635%0.34628%0.277SS..  trans-66.3145.2176.4-74.5-58.3132.100111.6R449 L454 D455 L456R449-E452 IonicContact NE-OE1 3.92Å; R449-E452 IonicContact NE-OE2 2.66Å; R449-E452 IonicContact NH2-OE2 2.99Å; E452-L454 VanDerWaalsContact C-N 3.26Å; E452-L454 PolarHBondContact O-N 2.78Å; E452-L454 VanDerWaalsContact O-N 3.17Å; E452-D455 PolarHBondContact O-N 2.93Å; E452-D455 VanDerWaalsContact O-N 3.09Å; E452-L456 WeakPolarHBondContact O-CB 3.36Å; E452-L456 PolarHBondContact O-N 3.27Å
453P96.3Very high96.9Very high6 Ų653.9 Ų53.94%0.03928%0.277CS..Hα-helixtrans-59.5-34.2-173-25.834.6000114.1I274 G275 I277 A457I274-P453 HydrophobicContact CB-CB 4.21Å; G275-P453 WeakPolarHBondContact O-CG 3.34Å; I277-P453 HydrophobicContact CB-CB 4.16Å; P453-A457 VanDerWaalsContact O-CB 3.3Å; P453-A457 WeakPolarHBondContact O-CB 3.29Å; P453-A457 PolarHBondContact O-N 3.3Å
454L96.6Very high97Very high28 Ų2853.4 Ų53.415%0.14727%0.274CS..Hα-helixtrans-67.7-46.5176.8179.257.5000111.2I44 L45 E48 I277 E452 L456 A457 V458I44-L454 HydrophobicContact CG2-CD1 3.92Å; I44-L454 HydrophobicContact CG2-CD2 3.92Å; I44-L454 HydrophobicContact CG2-CG 4.49Å; L45-L454 HydrophobicContact CB-CD1 4.42Å; L45-L454 HydrophobicContact CD1-CD1 4.32Å; E48-L454 HydrophobicContact CB-CD1 3.9Å; E48-L454 HydrophobicContact CB-CD2 4.13Å; E48-L454 HydrophobicContact CB-CG 4.25Å; E48-L454 HydrophobicContact CG-CD1 4.12Å; E48-L454 HydrophobicContact CG-CD2 4.02Å; E48-L454 HydrophobicContact CG-CG 4.01Å; I277-L454 HydrophobicContact CD1-CD1 4.11Å; I277-L454 HydrophobicContact CG1-CB 4.1Å; I277-L454 HydrophobicContact CG1-CD1 4.27Å; E452-L454 VanDerWaalsContact C-N 3.26Å; E452-L454 PolarHBondContact O-N 2.78Å; E452-L454 VanDerWaalsContact O-N 3.17Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 PolarHBondContact O-N 2.71Å; L454-A457 PolarHBondContact O-N 3.05Å; L454-V458 HydrophobicContact CD1-CG2 4.47Å; L454-V458 VanDerWaalsContact O-CG2 3.29Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 3.18Å
455D96.9Very high97Very high65 Ų6547.4 Ų47.435%0.34825%0.245SC..Hα-helixtrans-65.6-36.5177.7-70.1-46.6000111.5R52 V451 E452 V458 F459R52-D455 IonicContact CZ-OD1 3.65Å; R52-D455 IonicContact NH2-OD1 2.96Å; R52-D455 PolarHBondContact NH2-OD1 2.86Å; V451-D455 HydrophobicContact CG1-CB 4.06Å; E452-D455 PolarHBondContact O-N 2.93Å; E452-D455 VanDerWaalsContact O-N 3.09Å; D455-V458 PolarHBondContact O-N 3.4Å; D455-F459 WeakPolarHBondContact O-CB 3.39Å; D455-F459 PolarHBondContact O-N 3.42Å
456L98.1Very high96.9Very high40 Ų4047.9 Ų47.921%0.20924%0.241CC..Hα-helixtrans-64.6-45174.2-175.961.2000111.7V272 L273 I274 V451 E452 L454 V458 F459 W460V272-L456 HydrophobicContact CG1-CD1 4.34Å; V272-L456 HydrophobicContact CG1-CD2 3.7Å; V272-L456 HydrophobicContact CG1-CG 3.81Å; L273-L456 WeakPolarHBondContact O-CD2 3.13Å; I274-L456 HydrophobicContact CG2-CD2 4.35Å; I274-L456 HydrophobicContact CG2-CG 4.46Å; V451-L456 HydrophobicContact CG1-CB 3.98Å; E452-L456 WeakPolarHBondContact O-CB 3.36Å; E452-L456 PolarHBondContact O-N 3.27Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 PolarHBondContact O-N 2.71Å; L456-V458 VanDerWaalsContact C-N 3.34Å; L456-V458 PolarHBondContact O-N 2.85Å; L456-F459 PolarHBondContact O-N 3.22Å; L456-W460 VanDerWaalsContact O-CD1 3.27Å; L456-W460 PolarHBondContact O-N 3Å; L456-W460 VanDerWaalsContact O-N 3.09Å
457A98.4Very high96.9Very high0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-60.8-43.7176.200000111.8L45 L254 I274 I277 P453 L454 S461L45-A457 HydrophobicContact CD1-CB 3.93Å; L45-A457 HydrophobicContact CD2-CB 4.11Å; L254-A457 HydrophobicContact CD1-CB 4.04Å; I274-A457 HydrophobicContact CD1-CB 4.36Å; I274-A457 HydrophobicContact CG2-CB 4.08Å; I277-A457 HydrophobicContact CD1-CB 4.09Å; P453-A457 VanDerWaalsContact O-CB 3.3Å; P453-A457 WeakPolarHBondContact O-CB 3.29Å; P453-A457 PolarHBondContact O-N 3.3Å; L454-A457 PolarHBondContact O-N 3.05Å; A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.22Å; A457-S461 PolarHBondContact O-OG 2.82Å
458V98.1Very high97Very high0 Ų055.6 Ų55.60%027%0.273CS..Hα-helixtrans-61.8-49.9174.1170.90000110.9L45 E48 L49 L454 D455 L456 W460 S461 E462L45-V458 HydrophobicContact CD1-CB 4.44Å; L45-V458 HydrophobicContact CD1-CG2 3.57Å; E48-V458 HydrophobicContact CB-CG2 4.29Å; E48-V458 HydrophobicContact CG-CG2 3.66Å; L49-V458 HydrophobicContact CD2-CG1 4.2Å; L49-V458 HydrophobicContact CD2-CG2 4.36Å; L454-V458 HydrophobicContact CD1-CG2 4.47Å; L454-V458 VanDerWaalsContact O-CG2 3.29Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 3.18Å; D455-V458 PolarHBondContact O-N 3.4Å; L456-V458 VanDerWaalsContact C-N 3.34Å; L456-V458 PolarHBondContact O-N 2.85Å; V458-W460 VanDerWaalsContact C-N 3.28Å; V458-W460 PolarHBondContact O-N 3.44Å; V458-S461 WeakPolarHBondContact O-CB 3.47Å; V458-S461 PolarHBondContact O-N 3.06Å; V458-E462 HydrophobicContact CG1-CG 4.04Å; V458-E462 WeakPolarHBondContact CG1-OE1 3.48Å; V458-E462 WeakPolarHBondContact O-CG 3.45Å; V458-E462 PolarHBondContact O-N 2.89Å
459F98.4Very high97Very high97 Ų9749.3 Ų49.343%0.42524%0.242SC..Hα-helixtrans-52.6-47.7-179.4168.6-94.2000111.7D455 L456 F463D455-F459 WeakPolarHBondContact O-CB 3.39Å; D455-F459 PolarHBondContact O-N 3.42Å; L456-F459 PolarHBondContact O-N 3.22Å; F459-F463 HydrophobicContact CZ-CD2 4.43Å; F459-F463 VanDerWaalsContact O-CB 3.26Å; F459-F463 WeakPolarHBondContact O-CB 3.27Å; F459-F463 PolarHBondContact O-N 2.95Å
460W98.6Very high97.2Very high44 Ų4447.4 Ų47.417%0.16724%0.237CC..Hα-helixtrans-71.7-31.8179.7-79.7109.1000113.4I252 L254 V272 L456 V458 F463 V464 L473I252-W460 HydrophobicContact CD1-CD2 4.13Å; I252-W460 HydrophobicContact CD1-CE3 3.43Å; I252-W460 VanDerWaalsContact CD1-CE3 3.43Å; I252-W460 HydrophobicContact CD1-CH2 4.49Å; I252-W460 HydrophobicContact CD1-CZ3 3.65Å; I252-W460 HydrophobicContact CG1-CE3 3.9Å; I252-W460 HydrophobicContact CG2-CB 4.13Å; I252-W460 HydrophobicContact CG2-CG 4.43Å; L254-W460 HydrophobicContact CD2-CB 4.11Å; V272-W460 HydrophobicContact CG1-CG 4.43Å; V272-W460 HydrophobicContact CG2-CD2 3.93Å; V272-W460 HydrophobicContact CG2-CG 3.94Å; V272-W460 HydrophobicContact CG2-CZ2 4.21Å; L456-W460 VanDerWaalsContact O-CD1 3.27Å; L456-W460 PolarHBondContact O-N 3Å; L456-W460 VanDerWaalsContact O-N 3.09Å; V458-W460 VanDerWaalsContact C-N 3.28Å; V458-W460 PolarHBondContact O-N 3.44Å; W460-F463 HydrophobicContact CE3-CB 4.2Å; W460-F463 AromaticContact CE3-CD1 3.97Å; W460-F463 HydrophobicContact CE3-CD1 3.97Å; W460-F463 HydrophobicContact CE3-CG 4.06Å; W460-F463 AromaticContact CZ3-CD1 3.93Å; W460-F463 HydrophobicContact CZ3-CD1 3.93Å; W460-F463 HydrophobicContact CZ3-CE1 4.11Å; W460-F463 HydrophobicContact CZ3-CG 4.16Å; W460-F463 HydrophobicContact CZ3-CZ 4.48Å; W460-F463 WeakPolarHBondContact O-CB 3.39Å; W460-F463 PolarHBondContact O-N 3.2Å; W460-V464 WeakPolarHBondContact O-CG2 3.42Å; W460-V464 PolarHBondContact O-N 3.5Å; W460-V464 VanDerWaalsContact O-N 3.08Å; W460-L473 HydrophobicContact CH2-CD1 3.84Å; W460-L473 HydrophobicContact CZ3-CD1 3.68Å
461S98.6Very high97.2Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-65.1-50.1173.5-56.20000110.1A457 V458 F463 V464 M465A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.22Å; A457-S461 PolarHBondContact O-OG 2.82Å; V458-S461 WeakPolarHBondContact O-CB 3.47Å; V458-S461 PolarHBondContact O-N 3.06Å; S461-F463 VanDerWaalsContact C-N 3.3Å; S461-F463 PolarHBondContact O-N 3.45Å; S461-V464 PolarHBondContact O-N 3.05Å; S461-M465 WeakPolarHBondContact O-CG 3.07Å; S461-M465 PolarHBondContact O-N 3.26Å; S461-M465 VanDerWaalsContact O-N 3.13Å
462E98.2Very high97.3Very high31 Ų3148.5 Ų48.515%0.14524%0.237CC..Hα-helixtrans-63.4-35174.7-61.8173.2-177.100112.4R52 H54 V458 V464 M465 R466R52-E462 IonicContact NH1-OE1 2.64Å; R52-E462 PolarHBondContact NH1-OE1 2.8Å; H54-E462 IonicContact NE2-OE1 3.94Å; V458-E462 HydrophobicContact CG1-CG 4.04Å; V458-E462 WeakPolarHBondContact CG1-OE1 3.48Å; V458-E462 WeakPolarHBondContact O-CG 3.45Å; V458-E462 PolarHBondContact O-N 2.89Å; E462-V464 VanDerWaalsContact C-N 3.34Å; E462-V464 PolarHBondContact O-N 2.89Å; E462-M465 HydrophobicContact CB-CE 4.25Å; E462-M465 HydrophobicContact CG-CE 4.07Å; E462-M465 PolarHBondContact O-N 3.11Å; E462-R466 WeakPolarHBondContact O-CB 3.35Å; E462-R466 VanDerWaalsContact O-CG 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.3Å; E462-R466 PolarHBondContact O-N 2.88Å; E462-R466 IonicContact OE2-NH1 2.69Å; E462-R466 PolarHBondContact OE2-NH1 3.35Å
463F98.4Very high97.4Very high29 Ų2946.3 Ų46.313%0.12723%0.227CC..Hα-helixtrans-57.8-48.3174.5179.7-84.6000111F459 W460 S461 M465 R466 H467 A470 H472F459-F463 HydrophobicContact CZ-CD2 4.43Å; F459-F463 VanDerWaalsContact O-CB 3.26Å; F459-F463 WeakPolarHBondContact O-CB 3.27Å; F459-F463 PolarHBondContact O-N 2.95Å; W460-F463 HydrophobicContact CE3-CB 4.2Å; W460-F463 AromaticContact CE3-CD1 3.97Å; W460-F463 HydrophobicContact CE3-CD1 3.97Å; W460-F463 HydrophobicContact CE3-CG 4.06Å; W460-F463 AromaticContact CZ3-CD1 3.93Å; W460-F463 HydrophobicContact CZ3-CD1 3.93Å; W460-F463 HydrophobicContact CZ3-CE1 4.11Å; W460-F463 HydrophobicContact CZ3-CG 4.16Å; W460-F463 HydrophobicContact CZ3-CZ 4.48Å; W460-F463 WeakPolarHBondContact O-CB 3.39Å; W460-F463 PolarHBondContact O-N 3.2Å; S461-F463 VanDerWaalsContact C-N 3.3Å; S461-F463 PolarHBondContact O-N 3.45Å; F463-M465 VanDerWaalsContact C-N 3.31Å; F463-M465 PolarHBondContact O-N 3.46Å; F463-R466 PolarHBondContact O-N 3.36Å; F463-H467 AromaticContact CD2-CD2 3.49Å; F463-H467 VanDerWaalsContact CD2-CD2 3.49Å; F463-H467 WeakPolarHBondContact CD2-CD2 3.37Å; F463-H467 AromaticContact CD2-NE2 3.84Å; F463-H467 HydrophobicContact CE1-CB 4.47Å; F463-H467 AromaticContact CE1-CD2 3.94Å; F463-H467 AromaticContact CE2-CD2 3.4Å; F463-H467 VanDerWaalsContact CE2-CD2 3.4Å; F463-H467 WeakPolarHBondContact CE2-CD2 3.06Å; F463-H467 AromaticContact CE2-NE2 3.67Å; F463-H467 AromaticContact CG-CD2 3.79Å; F463-H467 AromaticContact CZ-CD2 3.63Å; F463-H467 WeakPolarHBondContact O-CB 3.23Å; F463-H467 PolarHBondContact O-CD2 3.1Å; F463-H467 PolarHBondContact O-N 3.19Å; F463-A470 HydrophobicContact CE1-CB 4.22Å; F463-H472 AromaticContact CE1-CE1 3.66Å; F463-H472 AromaticContact CZ-CE1 3.44Å; F463-H472 VanDerWaalsContact CZ-CE1 3.44Å; F463-H472 WeakPolarHBondContact CZ-CE1 3.39Å; F463-H472 AromaticContact CZ-NE2 3.59Å
464V98.5Very high97.3Very high0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-62.1-40.2178.1168.80000111.4M146 P166 V168 A251 I252 W460 S461 E462 K468 G469M146-V464 HydrophobicContact CB-CG1 4.32Å; P166-V464 HydrophobicContact CB-CG1 3.54Å; P166-V464 HydrophobicContact CG-CG1 3.46Å; P166-V464 VanDerWaalsContact CG-CG1 3.46Å; V168-V464 HydrophobicContact CG2-CB 3.93Å; V168-V464 HydrophobicContact CG2-CG1 3.95Å; V168-V464 HydrophobicContact CG2-CG2 3.82Å; A251-V464 HydrophobicContact CB-CG1 4.11Å; A251-V464 HydrophobicContact CB-CG2 3.89Å; I252-V464 HydrophobicContact CB-CG2 4.28Å; I252-V464 HydrophobicContact CG1-CG2 3.56Å; W460-V464 WeakPolarHBondContact O-CG2 3.42Å; W460-V464 PolarHBondContact O-N 3.5Å; W460-V464 VanDerWaalsContact O-N 3.08Å; S461-V464 PolarHBondContact O-N 3.05Å; E462-V464 VanDerWaalsContact C-N 3.34Å; E462-V464 PolarHBondContact O-N 2.89Å; V464-K468 VanDerWaalsContact O-CA 3.29Å; V464-K468 WeakPolarHBondContact O-CA 3.39Å; V464-K468 PolarHBondContact O-N 3.2Å; V464-G469 PolarHBondContact O-N 3.14Å; V464-G469 VanDerWaalsContact O-N 3.09Å
465M97.4Very high97.3Very high0 Ų051.2 Ų51.20%025%0.248CC..Hα-helixtrans-65.5-43.3176.7-65.1-172.4-68.700112.8E27 V29 D145 M146 S461 E462 F463 K468E27-M465 HydrophobicContact CB-CB 4.15Å; E27-M465 HydrophobicContact CB-CE 4.1Å; E27-M465 HydrophobicContact CB-CG 4.27Å; E27-M465 HydrophobicContact CB-SD 3.37Å; E27-M465 WeakPolarHBondContact CB-SD 3.33Å; E27-M465 HydrophobicContact CG-CB 3.98Å; E27-M465 HydrophobicContact CG-SD 4.23Å; V29-M465 HydrophobicContact CG2-CE 4.29Å; V29-M465 HydrophobicContact CG2-SD 3.6Å; D145-M465 HydrophobicContact CB-CB 4.23Å; D145-M465 HydrophobicContact CB-CG 4Å; D145-M465 HydrophobicContact CB-SD 4.33Å; M146-M465 HydrophobicContact CB-CG 4.06Å; M146-M465 HydrophobicContact CG-CG 3.51Å; M146-M465 HydrophobicContact CG-SD 3.76Å; M146-M465 HydrophobicContact SD-CE 4.3Å; M146-M465 HydrophobicContact SD-CG 3.42Å; M146-M465 WeakPolarHBondContact SD-CG 3.45Å; M146-M465 HydrophobicContact SD-SD 3.7Å; S461-M465 WeakPolarHBondContact O-CG 3.07Å; S461-M465 PolarHBondContact O-N 3.26Å; S461-M465 VanDerWaalsContact O-N 3.13Å; E462-M465 HydrophobicContact CB-CE 4.25Å; E462-M465 HydrophobicContact CG-CE 4.07Å; E462-M465 PolarHBondContact O-N 3.11Å; F463-M465 VanDerWaalsContact C-N 3.31Å; F463-M465 PolarHBondContact O-N 3.46Å; M465-K468 WeakPolarHBondContact O-CD 3.27Å; M465-K468 PolarHBondContact O-NZ 2.94Å
466R96.3Very high97.2Very high109 Ų10951.4 Ų51.441%0.41126%0.258SS..Hα-helixtrans-65.7-38.5178.5-74.3-173-61.9-100-1.9112.6E462 F463E462-R466 WeakPolarHBondContact O-CB 3.35Å; E462-R466 VanDerWaalsContact O-CG 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.3Å; E462-R466 PolarHBondContact O-N 2.88Å; E462-R466 IonicContact OE2-NH1 2.69Å; E462-R466 PolarHBondContact OE2-NH1 3.35Å; F463-R466 PolarHBondContact O-N 3.36Å
467H96.9Very high97.1Very high113 Ų11350.1 Ų50.152%0.52325%0.253SS..Hα-helixtrans-104.52.4-173.1-62.1-65.5000114.2F463 G469F463-H467 AromaticContact CD2-CD2 3.49Å; F463-H467 VanDerWaalsContact CD2-CD2 3.49Å; F463-H467 WeakPolarHBondContact CD2-CD2 3.37Å; F463-H467 AromaticContact CD2-NE2 3.84Å; F463-H467 HydrophobicContact CE1-CB 4.47Å; F463-H467 AromaticContact CE1-CD2 3.94Å; F463-H467 AromaticContact CE2-CD2 3.4Å; F463-H467 VanDerWaalsContact CE2-CD2 3.4Å; F463-H467 WeakPolarHBondContact CE2-CD2 3.06Å; F463-H467 AromaticContact CE2-NE2 3.67Å; F463-H467 AromaticContact CG-CD2 3.79Å; F463-H467 AromaticContact CZ-CD2 3.63Å; F463-H467 WeakPolarHBondContact O-CB 3.23Å; F463-H467 PolarHBondContact O-CD2 3.1Å; F463-H467 PolarHBondContact O-N 3.19Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 3.35Å
468K95.8Very high96.9Very high130 Ų13051.5 Ų51.557%0.56526%0.26SS*.THydrogen-bonded Turntrans53.542.4-178.5-52.9-57179.8-157.60112.3D145 V464 M465D145-K468 IonicContact OD1-NZ 3.56Å; D145-K468 PolarHBondContact OD1-NZ 3.49Å; V464-K468 VanDerWaalsContact O-CA 3.29Å; V464-K468 WeakPolarHBondContact O-CA 3.39Å; V464-K468 PolarHBondContact O-N 3.2Å; M465-K468 WeakPolarHBondContact O-CD 3.27Å; M465-K468 PolarHBondContact O-NZ 2.94Å
469G96.7Very high96.8Very high14 Ų1457.7 Ų57.714%0.14429%0.293CS..SBendtrans124-166.6-177.500000113.6V464 H467V464-G469 PolarHBondContact O-N 3.14Å; V464-G469 VanDerWaalsContact O-N 3.09Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 3.35Å
470A97.6Very high96.6Very high9 Ų956.4 Ų56.47%0.07429%0.29CS..  trans-148.141.8-176.100000112.8A251 I252 F463 H472 L473A251-A470 HydrophobicContact CB-CB 4.24Å; I252-A470 HydrophobicContact CD1-CB 4.19Å; I252-A470 HydrophobicContact CG1-CB 4.41Å; F463-A470 HydrophobicContact CE1-CB 4.22Å; A470-H472 PolarHBondContact O-N 3.49Å; A470-H472 VanDerWaalsContact O-N 3.14Å; A470-L473 HydrophobicContact CB-CD1 4.07Å; A470-L473 HydrophobicContact CB-CG 4.41Å; A470-L473 WeakPolarHBondContact O-CB 3.38Å; A470-L473 PolarHBondContact O-N 3.05Å
471S95.8Very high96.4Very high103 Ų10358.2 Ų58.272%0.7230%0.303SS*.G310 helixtrans-56.7-31.7-173.855.70000114.6L473 R474S471-L473 PolarHBondContact O-N 3.4Å; S471-R474 VanDerWaalsContact O-CB 3.25Å; S471-R474 WeakPolarHBondContact O-CB 3.41Å; S471-R474 PolarHBondContact O-N 3.42Å
472H96.4Very high96.2Very high127 Ų12765.7 Ų65.759%0.58833%0.331SS*.G310 helixtrans-66.2-15.1176.362-79.3000114.1F463 A470F463-H472 AromaticContact CE1-CE1 3.66Å; F463-H472 AromaticContact CZ-CE1 3.44Å; F463-H472 VanDerWaalsContact CZ-CE1 3.44Å; F463-H472 WeakPolarHBondContact CZ-CE1 3.39Å; F463-H472 AromaticContact CZ-NE2 3.59Å; A470-H472 PolarHBondContact O-N 3.49Å; A470-H472 VanDerWaalsContact O-N 3.14Å
473L97.4Very high96.1Very high27 Ų2770.2 Ų70.214%0.14135%0.351CS..G310 helixtrans-91.1-9.6173.3-58.7-178.4000112.7I252 P269 N270 W460 A470 S471I252-L473 HydrophobicContact CD1-CD1 3.69Å; P269-L473 HydrophobicContact CB-CB 4.16Å; P269-L473 HydrophobicContact CB-CD2 3.98Å; N270-L473 HydrophobicContact CB-CB 3.96Å; N270-L473 HydrophobicContact CB-CD1 4.38Å; W460-L473 HydrophobicContact CH2-CD1 3.84Å; W460-L473 HydrophobicContact CZ3-CD1 3.68Å; A470-L473 HydrophobicContact CB-CD1 4.07Å; A470-L473 HydrophobicContact CB-CG 4.41Å; A470-L473 WeakPolarHBondContact O-CB 3.38Å; A470-L473 PolarHBondContact O-N 3.05Å; S471-L473 PolarHBondContact O-N 3.4Å
474R95.1Very high96Very high98 Ų9872.6 Ų72.637%0.3736%0.362SS..SBendtrans-76.3126.4178.2-171.8-179.4-175.380.6-13.3109.8S248 S471 H478S248-R474 PolarHBondContact O-NH1 2.78Å; S471-R474 VanDerWaalsContact O-CB 3.25Å; S471-R474 WeakPolarHBondContact O-CB 3.41Å; S471-R474 PolarHBondContact O-N 3.42Å; R474-H478 PolarHBondContact NH1-CE1 3.35Å; R474-H478 VanDerWaalsContact NH1-CE1 3.33Å; R474-H478 PolarHBondContact NH1-ND1 2.95Å; R474-H478 PolarHBondContact NH2-ND1 3.38Å
475V95.2Very high95.8Very high40 Ų4076.8 Ų76.824%0.24238%0.379CS..  trans-79.1150.9179.1-67.20000112.5M268 A477 H478M268-V475 HydrophobicContact CE-CG1 4.36Å; M268-V475 HydrophobicContact CE-CG2 3.91Å; M268-V475 HydrophobicContact SD-CB 4.12Å; M268-V475 HydrophobicContact SD-CG1 3.41Å; M268-V475 WeakPolarHBondContact SD-CG1 3.3Å; M268-V475 HydrophobicContact SD-CG2 3.61Å; V475-A477 HydrophobicContact CG2-CB 3.93Å; V475-A477 PolarHBondContact O-N 2.64Å; V475-H478 PolarHBondContact O-CD2 3.32Å; V475-H478 VanDerWaalsContact O-CD2 3.3Å; V475-H478 PolarHBondContact O-N 2.89Å
476A95.8Very high95.7Very high68 Ų6881.1 Ų81.156%0.56240%0.399SS*.G310 helixtrans-61.5-15.317800000113.9H478 D479A476-H478 PolarHBondContact O-N 3.07Å; A476-D479 PolarHBondContact O-N 2.77Å
477A95.4Very high95.7Very high14 Ų1478.7 Ų78.712%0.11640%0.399CS..G310 helixtrans-58.5-18.5176.700000114.1K184 V475 D479 Y485K184-A477 HydrophobicContact CB-CB 3.74Å; K184-A477 HydrophobicContact CG-CB 4.15Å; V475-A477 HydrophobicContact CG2-CB 3.93Å; V475-A477 PolarHBondContact O-N 2.64Å; A477-D479 VanDerWaalsContact C-N 3.27Å; A477-Y485 HydrophobicContact CB-CD2 3.82Å; A477-Y485 HydrophobicContact CB-CE2 3.63Å
478H94.8Very high95.7Very high29 Ų2976.3 Ų76.313%0.13439%0.389CS..G310 helixtrans-70.1-24.9173.2-72.4-88.4000113.2A182 R474 V475 A476A182-H478 PolarHBondContact O-CE1 2.76Å; R474-H478 PolarHBondContact NH1-CE1 3.35Å; R474-H478 VanDerWaalsContact NH1-CE1 3.33Å; R474-H478 PolarHBondContact NH1-ND1 2.95Å; R474-H478 PolarHBondContact NH2-ND1 3.38Å; V475-H478 PolarHBondContact O-CD2 3.32Å; V475-H478 VanDerWaalsContact O-CD2 3.3Å; V475-H478 PolarHBondContact O-N 2.89Å; A476-H478 PolarHBondContact O-N 3.07Å
479D94.8Very high95.8Very high130 Ų13073.8 Ų73.870%0.69538%0.382SS*.SBendtrans-100.4-2.7-175.2-51-44.2000112.7A476 A477A476-D479 PolarHBondContact O-N 2.77Å; A477-D479 VanDerWaalsContact C-N 3.27Å
480L95.4Very high95.9Very high70 Ų7076.8 Ų76.837%0.36640%0.397SS..  trans-93.6139.2-179.6-59.6-177.4000111.8Q484L480-Q484 HydrophobicContact CB-CB 4.12Å; L480-Q484 HydrophobicContact CD2-CB 4.16Å
481N94.8Very high95.9Very high82 Ų8280.5 Ų80.544%0.43942%0.415SS..  trans-75170.4165.87353.7000111.3F483 Q484 Y485N481-F483 VanDerWaalsContact C-N 3.32Å; N481-F483 PolarHBondContact O-N 2.9Å; N481-F483 WeakPolarHBondContact OD1-CB 3.26Å; N481-F483 PolarHBondContact OD1-N 3.39Å; N481-Q484 VanDerWaalsContact N-OE1 3.14Å; N481-Q484 VanDerWaalsContact ND2-CD 3.34Å; N481-Q484 PolarHBondContact ND2-OE1 3.09Å; N481-Q484 VanDerWaalsContact ND2-OE1 3.09Å; N481-Q484 PolarHBondContact O-N 2.94Å; N481-Q484 PolarHBondContact OD1-N 2.91Å; N481-Y485 WeakPolarHBondContact O-CB 3.44Å; N481-Y485 PolarHBondContact O-N 3.05Å
482W93.3Very high96Very high157 Ų15777.4 Ų77.460%0.59540%0.399SS*.Hα-helixtrans-60.1-37.3-175.1-175.182.8000113.9H486 L488W482-H486 AromaticContact CD1-CD2 3.62Å; W482-H486 AromaticContact CD1-NE2 3.81Å; W482-H486 AromaticContact CE2-CD2 3.53Å; W482-H486 AromaticContact NE1-CD2 3.24Å; W482-H486 PolarHBondContact NE1-CD2 2.97Å; W482-H486 AromaticContact NE1-NE2 3.34Å; W482-H486 PolarHBondContact NE1-NE2 3.17Å; W482-H486 PolarHBondContact O-CD2 3.14Å; W482-H486 PolarHBondContact O-N 3.2Å; W482-L488 HydrophobicContact CE3-CD1 3.8Å; W482-L488 HydrophobicContact CH2-CD1 3.33Å; W482-L488 HydrophobicContact CZ2-CD1 4.2Å; W482-L488 HydrophobicContact CZ3-CD1 3.09Å
483F95.8Very high96.1Very high125 Ų12577.6 Ų77.655%0.54840%0.399SS..Hα-helixtrans-67.6-45.4178.2-65.9-83.4000111.5N481 H486 S487 L488N481-F483 VanDerWaalsContact C-N 3.32Å; N481-F483 PolarHBondContact O-N 2.9Å; N481-F483 WeakPolarHBondContact OD1-CB 3.26Å; N481-F483 PolarHBondContact OD1-N 3.39Å; F483-H486 CarbonylContact O-C 3.41Å; F483-S487 PolarHBondContact O-N 3.41Å; F483-L488 HydrophobicContact CD1-CB 4.11Å; F483-L488 HydrophobicContact CD1-CD1 4.13Å; F483-L488 PolarHBondContact O-N 3.22Å
484Q96.8Very high96.2Very high80 Ų8081.3 Ų81.337%0.37442%0.418SS..Hα-helixtrans-65-45.7178.2-69.1171.9-40.500111.5L480 N481 H486 S487L480-Q484 HydrophobicContact CB-CB 4.12Å; L480-Q484 HydrophobicContact CD2-CB 4.16Å; N481-Q484 VanDerWaalsContact N-OE1 3.14Å; N481-Q484 VanDerWaalsContact ND2-CD 3.34Å; N481-Q484 PolarHBondContact ND2-OE1 3.09Å; N481-Q484 VanDerWaalsContact ND2-OE1 3.09Å; N481-Q484 PolarHBondContact O-N 2.94Å; N481-Q484 PolarHBondContact OD1-N 2.91Å; Q484-H486 VanDerWaalsContact C-N 3.27Å; Q484-H486 PolarHBondContact O-N 2.03Å; Q484-S487 PolarHBondContact O-N 3.09Å
485Y94.6Very high96.3Very high88 Ų8881.5 Ų81.535%0.34543%0.426SS..Hα-helixtrans-59-38.4-179.5179.8-96000112.4A477 N481A477-Y485 HydrophobicContact CB-CD2 3.82Å; A477-Y485 HydrophobicContact CB-CE2 3.63Å; N481-Y485 WeakPolarHBondContact O-CB 3.44Å; N481-Y485 PolarHBondContact O-N 3.05Å
486H94.6Very high96.5Very high90 Ų9086.5 Ų86.542%0.41745%0.445SS..THydrogen-bonded Turntrans-93.97.3176.2-68.9-65000113.9W482 F483 Q484 L488W482-H486 AromaticContact CD1-CD2 3.62Å; W482-H486 AromaticContact CD1-NE2 3.81Å; W482-H486 AromaticContact CE2-CD2 3.53Å; W482-H486 AromaticContact NE1-CD2 3.24Å; W482-H486 PolarHBondContact NE1-CD2 2.97Å; W482-H486 AromaticContact NE1-NE2 3.34Å; W482-H486 PolarHBondContact NE1-NE2 3.17Å; W482-H486 PolarHBondContact O-CD2 3.14Å; W482-H486 PolarHBondContact O-N 3.2Å; F483-H486 CarbonylContact O-C 3.41Å; Q484-H486 VanDerWaalsContact C-N 3.27Å; Q484-H486 PolarHBondContact O-N 2.03Å; H486-L488 HydrophobicContact CB-CD1 4.22Å; H486-L488 HydrophobicContact CB-CD2 4.36Å; H486-L488 HydrophobicContact CB-CG 3.84Å; H486-L488 PolarHBondContact O-N 3.45Å; H486-L488 VanDerWaalsContact O-N 3.13Å
487S97.3Very high96.6Very high59 Ų5986.2 Ų86.241%0.41344%0.436SS..THydrogen-bonded Turntrans52.730.5-178.8-55.50000114.1F483 Q484 D489 V490 I491F483-S487 PolarHBondContact O-N 3.41Å; Q484-S487 PolarHBondContact O-N 3.09Å; S487-D489 VanDerWaalsContact C-N 3.31Å; S487-V490 PolarHBondContact O-N 2.88Å; S487-I491 VanDerWaalsContact O-CG1 3.29Å; S487-I491 WeakPolarHBondContact O-CG1 3Å; S487-I491 PolarHBondContact O-N 3.44Å
488L97.6Very high96.7Very high63 Ų6391.4 Ų91.433%0.3346%0.456SS..Hα-helixtrans-72.1-29.4-177.8-62.9179.3000112.2W482 F483 H486 I491 G492W482-L488 HydrophobicContact CE3-CD1 3.8Å; W482-L488 HydrophobicContact CH2-CD1 3.33Å; W482-L488 HydrophobicContact CZ2-CD1 4.2Å; W482-L488 HydrophobicContact CZ3-CD1 3.09Å; F483-L488 HydrophobicContact CD1-CB 4.11Å; F483-L488 HydrophobicContact CD1-CD1 4.13Å; F483-L488 PolarHBondContact O-N 3.22Å; H486-L488 HydrophobicContact CB-CD1 4.22Å; H486-L488 HydrophobicContact CB-CD2 4.36Å; H486-L488 HydrophobicContact CB-CG 3.84Å; H486-L488 PolarHBondContact O-N 3.45Å; H486-L488 VanDerWaalsContact O-N 3.13Å; L488-I491 HydrophobicContact CD2-CD1 4.4Å; L488-G492 PolarHBondContact O-N 3.49Å
489D97.3Very high96.9Very high77 Ų7794.3 Ų94.341%0.41248%0.476SS..Hα-helixtrans-61.7-46.516954-10.9000111.5S487 G492 F493S487-D489 VanDerWaalsContact C-N 3.31Å; D489-G492 PolarHBondContact O-N 3.01Å; D489-F493 WeakPolarHBondContact O-CB 3.48Å; D489-F493 PolarHBondContact O-N 3.33Å
490V98.2Very high97Very high76 Ų7690 Ų9046%0.46146%0.458SS..Hα-helixtrans-66.5-47.9176.6-179.80000111.2S487 G492 F493 L494S487-V490 PolarHBondContact O-N 2.88Å; V490-G492 VanDerWaalsContact C-N 3.31Å; V490-G492 PolarHBondContact O-N 2.88Å; V490-F493 PolarHBondContact O-N 3.41Å; V490-L494 HydrophobicContact CG1-CD1 4.13Å; V490-L494 HydrophobicContact CG1-CG 4.44Å; V490-L494 WeakPolarHBondContact O-CG 3.4Å; V490-L494 PolarHBondContact O-N 3.19Å
491I98.3Very high97.1Very high87 Ų8790.7 Ų90.745%0.44647%0.465SS..Hα-helixtrans-59.4-45177.2-69164.7000110.1S487 L488 F493 L494 L495S487-I491 VanDerWaalsContact O-CG1 3.29Å; S487-I491 WeakPolarHBondContact O-CG1 3Å; S487-I491 PolarHBondContact O-N 3.44Å; L488-I491 HydrophobicContact CD2-CD1 4.4Å; I491-F493 PolarHBondContact O-N 3.4Å; I491-L494 PolarHBondContact O-N 3.21Å; I491-L495 HydrophobicContact CG2-CD1 3.89Å; I491-L495 HydrophobicContact CG2-CG 4.34Å; I491-L495 WeakPolarHBondContact O-CB 3.07Å; I491-L495 WeakPolarHBondContact O-CG 3.49Å; I491-L495 PolarHBondContact O-N 3.38Å
492G98.2Very high97.3Very high38 Ų3890.5 Ų90.539%0.39246%0.463SS..Hα-helixtrans-58.7-45.9176.100000112.4L488 D489 V490 L495 F496L488-G492 PolarHBondContact O-N 3.49Å; D489-G492 PolarHBondContact O-N 3.01Å; V490-G492 VanDerWaalsContact C-N 3.31Å; V490-G492 PolarHBondContact O-N 2.88Å; G492-L495 PolarHBondContact O-N 3.38Å; G492-F496 WeakPolarHBondContact O-CB 3.22Å; G492-F496 PolarHBondContact O-N 3.39Å
493F98.4Very high97.5Very high132 Ų13290.6 Ų90.658%0.57946%0.464SS*.Hα-helixtrans-61-46.2176.1175.8-105.9000112.4D489 V490 I491 F496 V497D489-F493 WeakPolarHBondContact O-CB 3.48Å; D489-F493 PolarHBondContact O-N 3.33Å; V490-F493 PolarHBondContact O-N 3.41Å; I491-F493 PolarHBondContact O-N 3.4Å; F493-F496 WeakPolarHBondContact O-CB 3.33Å; F493-F496 PolarHBondContact O-N 3.2Å; F493-V497 HydrophobicContact CE1-CG2 4.2Å; F493-V497 HydrophobicContact CE2-CG2 4.17Å; F493-V497 HydrophobicContact CZ-CG2 3.96Å; F493-V497 WeakPolarHBondContact O-CG2 3.32Å; F493-V497 PolarHBondContact O-N 3.06Å
494L98.4Very high97.5Very high105 Ų10588.3 Ų88.355%0.5546%0.46SS..Hα-helixtrans-64.6-41.2179-68.2176000112.4V490 I491 F496 V497 F498V490-L494 HydrophobicContact CG1-CD1 4.13Å; V490-L494 HydrophobicContact CG1-CG 4.44Å; V490-L494 WeakPolarHBondContact O-CG 3.4Å; V490-L494 PolarHBondContact O-N 3.19Å; I491-L494 PolarHBondContact O-N 3.21Å; L494-F496 VanDerWaalsContact C-N 3.34Å; L494-V497 PolarHBondContact O-N 3.18Å; L494-F498 WeakPolarHBondContact O-CB 3.44Å; L494-F498 PolarHBondContact O-N 3.16Å
495L98.3Very high97.4Very high101 Ų10187.9 Ų87.953%0.52946%0.463SS..Hα-helixtrans-63.2-41.2175.2-74.3173.5000111.7I491 G492 F498 V499I491-L495 HydrophobicContact CG2-CD1 3.89Å; I491-L495 HydrophobicContact CG2-CG 4.34Å; I491-L495 WeakPolarHBondContact O-CB 3.07Å; I491-L495 WeakPolarHBondContact O-CG 3.49Å; I491-L495 PolarHBondContact O-N 3.38Å; G492-L495 PolarHBondContact O-N 3.38Å; L495-F498 PolarHBondContact O-N 3.31Å; L495-V499 WeakPolarHBondContact O-CG2 3.37Å; L495-V499 PolarHBondContact O-N 3.11Å
496F98.3Very high97.5Very high146 Ų14688.9 Ų88.964%0.6447%0.473SS*.Hα-helixtrans-59.5-48.2174.9172.6-97.1000111.6G492 F493 L494 F498 V499 A500G492-F496 WeakPolarHBondContact O-CB 3.22Å; G492-F496 PolarHBondContact O-N 3.39Å; F493-F496 WeakPolarHBondContact O-CB 3.33Å; F493-F496 PolarHBondContact O-N 3.2Å; L494-F496 VanDerWaalsContact C-N 3.34Å; F496-F498 VanDerWaalsContact C-N 3.35Å; F496-F498 PolarHBondContact O-N 3.29Å; F496-V499 PolarHBondContact O-N 3.29Å; F496-A500 WeakPolarHBondContact O-CB 3.47Å; F496-A500 PolarHBondContact O-N 3.21Å
497V98.4Very high97.5Very high61 Ų6189.9 Ų89.937%0.3748%0.477SS..Hα-helixtrans-59.3-45.8176.9172.60000111F493 L494 A500 V501F493-V497 HydrophobicContact CE1-CG2 4.2Å; F493-V497 HydrophobicContact CE2-CG2 4.17Å; F493-V497 HydrophobicContact CZ-CG2 3.96Å; F493-V497 WeakPolarHBondContact O-CG2 3.32Å; F493-V497 PolarHBondContact O-N 3.06Å; L494-V497 PolarHBondContact O-N 3.18Å; V497-A500 PolarHBondContact O-N 3.38Å; V497-V501 HydrophobicContact CG1-CG2 4.46Å; V497-V501 WeakPolarHBondContact O-CG2 3.42Å; V497-V501 PolarHBondContact O-N 3.03Å
498F98.1Very high97.3Very high123 Ų12389.9 Ų89.954%0.53948%0.477SS..Hα-helixtrans-59.5-48.4178.4176.4-105.6000112.4L494 L495 F496 A500 V501 L502L494-F498 WeakPolarHBondContact O-CB 3.44Å; L494-F498 PolarHBondContact O-N 3.16Å; L495-F498 PolarHBondContact O-N 3.31Å; F496-F498 VanDerWaalsContact C-N 3.35Å; F496-F498 PolarHBondContact O-N 3.29Å; F498-A500 VanDerWaalsContact C-N 3.35Å; F498-A500 PolarHBondContact O-N 2.79Å; F498-V501 PolarHBondContact O-N 3.02Å; F498-L502 HydrophobicContact CD1-CD1 3.9Å; F498-L502 HydrophobicContact CE1-CD1 3.31Å; F498-L502 HydrophobicContact CE1-CG 4.25Å; F498-L502 HydrophobicContact CE2-CD1 4.11Å; F498-L502 HydrophobicContact CE2-CG 4.26Å; F498-L502 HydrophobicContact CZ-CD1 3.44Å; F498-L502 VanDerWaalsContact CZ-CD1 3.44Å; F498-L502 HydrophobicContact CZ-CG 4.08Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 2.91Å
499V98.1Very high96.9Very high91 Ų9190.3 Ų90.355%0.55248%0.484SS*.Hα-helixtrans-63.3-41177.8171.80000111.2L495 F496 L502 W503L495-V499 WeakPolarHBondContact O-CG2 3.37Å; L495-V499 PolarHBondContact O-N 3.11Å; F496-V499 PolarHBondContact O-N 3.29Å; V499-L502 PolarHBondContact O-N 3.07Å; V499-W503 VanDerWaalsContact O-CB 3.27Å; V499-W503 WeakPolarHBondContact O-CB 3.3Å; V499-W503 PolarHBondContact O-N 3.39Å
500A97.8Very high96.5Very high38 Ų3891 Ų9131%0.31449%0.487SS..Hα-helixtrans-62-46.1177.100000111.8F496 V497 F498 W503 V504F496-A500 WeakPolarHBondContact O-CB 3.47Å; F496-A500 PolarHBondContact O-N 3.21Å; V497-A500 PolarHBondContact O-N 3.38Å; F498-A500 VanDerWaalsContact C-N 3.35Å; F498-A500 PolarHBondContact O-N 2.79Å; A500-W503 PolarHBondContact O-N 2.95Å; A500-V504 WeakPolarHBondContact O-CG2 3.4Å; A500-V504 PolarHBondContact O-N 2.85Å
501V97.6Very high95.9Very high85 Ų8593.7 Ų93.752%0.51549%0.493SS..Hα-helixtrans-62.8-45.2177171.10000111.4V497 F498 W503 V504 T505V497-V501 HydrophobicContact CG1-CG2 4.46Å; V497-V501 WeakPolarHBondContact O-CG2 3.42Å; V497-V501 PolarHBondContact O-N 3.03Å; F498-V501 PolarHBondContact O-N 3.02Å; V501-W503 VanDerWaalsContact C-N 3.33Å; V501-W503 PolarHBondContact O-N 3.15Å; V501-V504 PolarHBondContact O-N 3.19Å; V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.49Å; V501-T505 PolarHBondContact O-OG1 2.97Å
502L97.5Very high95.2Very high79 Ų7992.9 Ų92.941%0.41450%0.495SS..Hα-helixtrans-59.8-44.7175.3-77.7-179.8000111.4F498 V499 T505 L506F498-L502 HydrophobicContact CD1-CD1 3.9Å; F498-L502 HydrophobicContact CE1-CD1 3.31Å; F498-L502 HydrophobicContact CE1-CG 4.25Å; F498-L502 HydrophobicContact CE2-CD1 4.11Å; F498-L502 HydrophobicContact CE2-CG 4.26Å; F498-L502 HydrophobicContact CZ-CD1 3.44Å; F498-L502 VanDerWaalsContact CZ-CD1 3.44Å; F498-L502 HydrophobicContact CZ-CG 4.08Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 2.91Å; V499-L502 PolarHBondContact O-N 3.07Å; L502-T505 PolarHBondContact O-N 2.86Å; L502-L506 WeakPolarHBondContact O-CB 3.33Å; L502-L506 VanDerWaalsContact O-CG 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.44Å; L502-L506 PolarHBondContact O-N 3.17Å
503W97.3Very high94.3Very high158 Ų15894.7 Ų94.760%0.59850%0.498SS*.Hα-helixtrans-63.1-47179.4-177.890.2000111.9V499 A500 V501 T505 L506 K507V499-W503 VanDerWaalsContact O-CB 3.27Å; V499-W503 WeakPolarHBondContact O-CB 3.3Å; V499-W503 PolarHBondContact O-N 3.39Å; A500-W503 PolarHBondContact O-N 2.95Å; V501-W503 VanDerWaalsContact C-N 3.33Å; V501-W503 PolarHBondContact O-N 3.15Å; W503-T505 VanDerWaalsContact C-N 3.34Å; W503-T505 PolarHBondContact O-N 3.36Å; W503-L506 PolarHBondContact O-N 3.13Å; W503-K507 HydrophobicContact CD2-CG 4.04Å; W503-K507 HydrophobicContact CE3-CG 4.34Å; W503-K507 HydrophobicContact CH2-CG 4.33Å; W503-K507 HydrophobicContact CZ2-CD 4.41Å; W503-K507 HydrophobicContact CZ2-CG 4.03Å; W503-K507 WeakPolarHBondContact O-CB 3.48Å; W503-K507 HydrophobicContact CZ3-CG 4.48Å; W503-K507 PolarHBondContact O-N 3.41Å; W503-K507 VanDerWaalsContact O-CG 3.28Å; W503-K507 WeakPolarHBondContact O-CG 3.33Å
504V96.5Very high93.3Very high77 Ų7798 Ų9847%0.46751%0.506SS..Hα-helixtrans-60.8-44.1175.7171.40000110.8A500 V501 K507 S508A500-V504 WeakPolarHBondContact O-CG2 3.4Å; A500-V504 PolarHBondContact O-N 2.85Å; V501-V504 PolarHBondContact O-N 3.19Å; V504-K507 PolarHBondContact O-N 3Å; V504-S508 VanDerWaalsContact O-CB 3.27Å; V504-S508 WeakPolarHBondContact O-CB 3.37Å; V504-S508 PolarHBondContact O-N 3.12Å; V504-S508 PolarHBondContact O-OG 2.72Å
505T95.6Very high92.1Very high71 Ų71100.7 Ų100.744%0.43651%0.514SS..Hα-helixtrans-61.9-48.8178-56.60000110.8V501 L502 W503 K507 S508 C509V501-T505 WeakPolarHBondContact O-CB 3.42Å; V501-T505 PolarHBondContact O-N 3.49Å; V501-T505 PolarHBondContact O-OG1 2.97Å; L502-T505 PolarHBondContact O-N 2.86Å; W503-T505 VanDerWaalsContact C-N 3.34Å; W503-T505 PolarHBondContact O-N 3.36Å; T505-K507 PolarHBondContact O-N 3.14Å; T505-S508 PolarHBondContact O-N 3.27Å; T505-C509 WeakPolarHBondContact O-CB 3.45Å; T505-C509 PolarHBondContact O-N 2.96Å; T505-C509 PolarHBondContact O-SG 3.39Å
506L95.8Very high90.8Very high109 Ų109101 Ų10157%0.57152%0.524SS*.Hα-helixtrans-61.1-44.3177.7-72.9170.9000111.7L502 W503 S508 C509 L510L502-L506 WeakPolarHBondContact O-CB 3.33Å; L502-L506 VanDerWaalsContact O-CG 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.44Å; L502-L506 PolarHBondContact O-N 3.17Å; W503-L506 PolarHBondContact O-N 3.13Å; L506-S508 VanDerWaalsContact C-N 3.33Å; L506-S508 PolarHBondContact O-N 2.76Å; L506-C509 PolarHBondContact O-N 2.89Å; L506-L510 VanDerWaalsContact O-CB 3.29Å; L506-L510 PolarHBondContact O-N 3.05Å; L506-L510 WeakPolarHBondContact O-CG 3.36Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å
507K94.7Very high89.1Confident111 Ų11199.2 Ų99.248%0.48353%0.528SS..Hα-helixtrans-63-40.5175.9-71.8-66.7-176.8-178.90111.8W503 V504 T505 L510 F511W503-K507 HydrophobicContact CD2-CG 4.04Å; W503-K507 HydrophobicContact CE3-CG 4.34Å; W503-K507 HydrophobicContact CH2-CG 4.33Å; W503-K507 HydrophobicContact CZ2-CD 4.41Å; W503-K507 HydrophobicContact CZ2-CG 4.03Å; W503-K507 WeakPolarHBondContact O-CB 3.48Å; W503-K507 HydrophobicContact CZ3-CG 4.48Å; W503-K507 PolarHBondContact O-N 3.41Å; W503-K507 VanDerWaalsContact O-CG 3.28Å; W503-K507 WeakPolarHBondContact O-CG 3.33Å; V504-K507 PolarHBondContact O-N 3Å; T505-K507 PolarHBondContact O-N 3.14Å; K507-L510 PolarHBondContact O-N 2.87Å; K507-F511 WeakPolarHBondContact O-CB 3.34Å; K507-F511 PolarHBondContact O-N 3.28Å
508S92.1Very high87.3Confident59 Ų5999 Ų9941%0.41354%0.538SS..Hα-helixtrans-66.3-45.9176.8-58.50000111.4V504 T505 L506 F511 C512V504-S508 VanDerWaalsContact O-CB 3.27Å; V504-S508 WeakPolarHBondContact O-CB 3.37Å; V504-S508 PolarHBondContact O-N 3.12Å; V504-S508 PolarHBondContact O-OG 2.72Å; T505-S508 PolarHBondContact O-N 3.27Å; L506-S508 VanDerWaalsContact C-N 3.33Å; L506-S508 PolarHBondContact O-N 2.76Å; S508-F511 PolarHBondContact O-N 3.12Å; S508-C512 WeakPolarHBondContact O-CB 3.41Å; S508-C512 PolarHBondContact O-N 3.05Å; S508-C512 PolarHBondContact O-SG 3.4Å
509C90.9Very high85.2Confident72 Ų72102.6 Ų102.649%0.48655%0.553SS.*Hα-helixtrans-60.9-46.6174.2-70.10000111.7T505 L506 F511 C512 T513T505-C509 WeakPolarHBondContact O-CB 3.45Å; T505-C509 PolarHBondContact O-N 2.96Å; T505-C509 PolarHBondContact O-SG 3.39Å; L506-C509 PolarHBondContact O-N 2.89Å; C509-F511 VanDerWaalsContact C-N 3.31Å; C509-F511 PolarHBondContact O-N 3.15Å; C509-C512 PolarHBondContact O-N 3.2Å; C509-T513 VanDerWaalsContact O-OG1 3.14Å; C509-T513 PolarHBondContact O-OG1 3.14Å; C509-T513 WeakPolarHBondContact O-CG2 3.28Å; C509-T513 PolarHBondContact O-N 3.41Å
510L88.6Confident82.9Confident91 Ų91110.3 Ų110.348%0.47657%0.572SS.*Hα-helixtrans-63-36.7176.3-74170.2000112.4L506 K507 T513 R514L506-L510 VanDerWaalsContact O-CB 3.29Å; L506-L510 PolarHBondContact O-N 3.05Å; L506-L510 WeakPolarHBondContact O-CG 3.36Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; K507-L510 PolarHBondContact O-N 2.87Å; L510-T513 WeakPolarHBondContact CA-OG1 3.4Å; L510-T513 PolarHBondContact O-OG1 2.62Å; L510-T513 VanDerWaalsContact O-OG1 3.12Å; L510-R514 PolarHBondContact O-N 2.8Å; L510-R514 WeakPolarHBondContact O-CG 3.22Å; L510-R514 VanDerWaalsContact O-CG 3.23Å; L510-R514 WeakPolarHBondContact O-CB 3.47Å; L510-R514 VanDerWaalsContact O-CB 3.3Å
511F86.2Confident80.6Confident133 Ų133112.2 Ų112.258%0.58360%0.596SS**Hα-helixtrans-66.6-47.1174179.5-99000111.1K507 S508 C509 R514 K515K507-F511 WeakPolarHBondContact O-CB 3.34Å; K507-F511 PolarHBondContact O-N 3.28Å; S508-F511 PolarHBondContact O-N 3.12Å; C509-F511 VanDerWaalsContact C-N 3.31Å; C509-F511 PolarHBondContact O-N 3.15Å; F511-R514 PolarHBondContact O-N 2.81Å; F511-K515 HydrophobicContact CE1-CD 4.19Å; F511-K515 HydrophobicContact CZ-CD 4.34Å; F511-K515 WeakPolarHBondContact O-CB 3.4Å; F511-K515 PolarHBondContact O-N 2.87Å
512C82.6Confident78.2Confident71 Ų71113.3 Ų113.348%0.4861%0.614SS.*Hα-helixtrans-61.8-43.6176.3-71.50000112.1S508 C509 K515 C516S508-C512 WeakPolarHBondContact O-CB 3.41Å; S508-C512 PolarHBondContact O-N 3.05Å; S508-C512 PolarHBondContact O-SG 3.4Å; C509-C512 PolarHBondContact O-N 3.2Å; C512-K515 PolarHBondContact O-N 3.27Å; C512-C516 WeakPolarHBondContact O-CB 3.44Å; C512-C516 VanDerWaalsContact O-SG 3.34Å; C512-C516 PolarHBondContact O-SG 3.19Å; C512-C516 PolarHBondContact O-N 3.46Å; C512-C516 VanDerWaalsContact O-CB 3.25Å
513T78.8Confident76Confident76 Ų76119.3 Ų119.347%0.46664%0.637SS.*Hα-helixtrans-67.5-40.1176.755.90000112.1C509 L510 K515 C517C509-T513 VanDerWaalsContact O-OG1 3.14Å; C509-T513 PolarHBondContact O-OG1 3.14Å; C509-T513 WeakPolarHBondContact O-CG2 3.28Å; C509-T513 PolarHBondContact O-N 3.41Å; L510-T513 WeakPolarHBondContact CA-OG1 3.4Å; L510-T513 PolarHBondContact O-OG1 2.62Å; L510-T513 VanDerWaalsContact O-OG1 3.12Å; T513-K515 VanDerWaalsContact C-N 3.3Å; T513-K515 PolarHBondContact O-N 2.99Å; T513-C517 WeakPolarHBondContact O-CA 3.34Å; T513-C517 VanDerWaalsContact O-CB 3.26Å; T513-C517 WeakPolarHBondContact O-CB 3.43Å; T513-C517 PolarHBondContact O-N 3.11Å
514R77Confident73.9Confident200 Ų200121.9 Ų121.976%0.75565%0.652SS**Hα-helixtrans-60.9-38.2172.3-78.7176.9174.3-176.8-2112.2L510 F511 G518L510-R514 PolarHBondContact O-N 2.8Å; L510-R514 WeakPolarHBondContact O-CG 3.22Å; L510-R514 VanDerWaalsContact O-CG 3.23Å; L510-R514 WeakPolarHBondContact O-CB 3.47Å; L510-R514 VanDerWaalsContact O-CB 3.3Å; F511-R514 PolarHBondContact O-N 2.81Å; R514-G518 VanDerWaalsContact O-CA 3.28Å; R514-G518 WeakPolarHBondContact O-CA 3.37Å; R514-G518 PolarHBondContact O-N 2.76Å; R514-G518 VanDerWaalsContact O-N 3.14Å
515K74.1Confident71.7Confident162 Ų162128.3 Ų128.370%0.70467%0.674SS**Hα-helixtrans-78.9-37.3-178.7-158.7-179.8-178.9-176.60112.9F511 C512 T513F511-K515 HydrophobicContact CE1-CD 4.19Å; F511-K515 HydrophobicContact CZ-CD 4.34Å; F511-K515 WeakPolarHBondContact O-CB 3.4Å; F511-K515 PolarHBondContact O-N 2.87Å; C512-K515 PolarHBondContact O-N 3.27Å; T513-K515 VanDerWaalsContact C-N 3.3Å; T513-K515 PolarHBondContact O-N 2.99Å
516C70.8Confident69.5Low109 Ų109130.4 Ų130.474%0.73669%0.691SS**Hα-helixtrans-87.4-32.2-177.8-65.40000113.7C512C512-C516 WeakPolarHBondContact O-CB 3.44Å; C512-C516 VanDerWaalsContact O-SG 3.34Å; C512-C516 PolarHBondContact O-SG 3.19Å; C512-C516 PolarHBondContact O-N 3.46Å; C512-C516 VanDerWaalsContact O-CB 3.25Å
517C63.3Low67.1Low107 Ų107138.2 Ų138.272%0.72373%0.725SS**Hα-helixtrans-104.3-8.9-179.6-58.90000113.8T513 K519T513-C517 WeakPolarHBondContact O-CA 3.34Å; T513-C517 VanDerWaalsContact O-CB 3.26Å; T513-C517 WeakPolarHBondContact O-CB 3.43Å; T513-C517 PolarHBondContact O-N 3.11Å; C517-K519 VanDerWaalsContact C-N 3.34Å; C517-K519 PolarHBondContact O-N 2.94Å
518G59.1Low65.7Low56 Ų56139.6 Ų139.658%0.57774%0.737SS**SBendtrans-82.68.9-176.700000116.7R514R514-G518 VanDerWaalsContact O-CA 3.28Å; R514-G518 WeakPolarHBondContact O-CA 3.37Å; R514-G518 PolarHBondContact O-N 2.76Å; R514-G518 VanDerWaalsContact O-N 3.14Å
519K54.3Low64.4Low199 Ų199143.8 Ų143.887%0.86575%0.754SS**  trans-138.166174.7-75.1-170.7178.3-178.80112.4C517C517-K519 VanDerWaalsContact C-N 3.34Å; C517-K519 PolarHBondContact O-N 2.94Å
520R51.3Low62.9Low253 Ų253147.8 Ų147.896%0.95577%0.769SS**  trans-140.794.7157.4-94.6-176.2176.1175.2-1.5110.9
521G49.4Very low61.4Low78 Ų78151.1 Ų151.180%0.80479%0.786SS**  trans111.592.8140.800000118.9
522A47.1Very low59.8Low109 Ų109152.3 Ų152.390%0.90180%0.799SS**  -139.996.1127.100000108.3
523K51.7Low58.3Low205 Ų205157.7 Ų157.789%0.89182%0.82SS**PPolyproline II helixtrans-66.2131.8172-91176.9169.6179.30109K525K523-K525 PolarHBondContact O-N 2.7Å
524K51.6Low56.9Low211 Ų211163.5 Ų163.592%0.91785%0.845SS**PPolyproline II helixtrans-53.7130.5158.3-95.8177.8168.9-179.50109.3
525K50.4Low55.3Low212 Ų212160.7 Ų160.792%0.92285%0.852SS**PPolyproline II helixtrans-101.7121154-88.8-171.7172-173.30107.4K523K523-K525 PolarHBondContact O-N 2.7Å
526S50.9Low53.7Low115 Ų115160.6 Ų160.680%0.80486%0.864SS**PPolyproline II helixtrans-89.7131.5157.459.90000108
527E45Very low52.2Low273 Ų273165.3 Ų165.3100%1.27688%0.876SS**  trans-152.80130.6-110.1174.5-177.200107.4

Retrieved 527 of 527 residues in 1038.9 ms (Link to these results)

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