A0A087YA39_POEFO Loading...

Vacuolar protein sorting-associated protein 11 homolog

Plays a role in vesicle-mediated protein trafficking to lysosomal compartments including the endocytic membrane transport and autophagic pathways. Believed to act as a core component of the putative HOPS and CORVET endosomal tethering complexes.

AlphaFold DB , UniProt , Accession A0A087YA39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 928 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
1M30.8Very low49.9Very low238 Ų238143.7 Ų143.7100%1.17273%0.726SS**  080.90-158.1-172.3-61.600108.3
2I27.1Very low53.1Low162 Ų162132 Ų13283%0.83167%0.667SS**  trans-126.8100.6166.7-64.1176000103.2A4I2-A4 PolarHBondContact O-N 3.2Å
3M27Very low56Low185 Ų185127.2 Ų127.291%0.91165%0.648SS**  trans-63.293.7167.5-74.7174.683.600106.3A5M3-A5 PolarHBondContact O-N 2.99Å
4A30.8Very low58.5Low81 Ų81118.1 Ų118.167%0.66960%0.602SS**  trans-58.5119.716400000106.3I2 F6I2-A4 PolarHBondContact O-N 3.2Å; A4-F6 PolarHBondContact O-N 2.78Å; A4-F6 VanDerWaalsContact O-N 3.11Å
5A30.1Very low60.8Low87 Ų87110.3 Ų110.372%0.71956%0.562SS**  trans-46.1122.717400000108.8M3 L7M3-A5 PolarHBondContact O-N 2.99Å; A5-L7 PolarHBondContact O-N 3.46Å
6F38.4Very low62.8Low180 Ų180107.8 Ų107.879%0.78955%0.55SS*.  trans-54.890.6170.2-94.7-97.1000107.9A4 Q8 D257A4-F6 PolarHBondContact O-N 2.78Å; A4-F6 VanDerWaalsContact O-N 3.11Å; F6-Q8 VanDerWaalsContact C-N 3.3Å; F6-Q8 PolarHBondContact O-N 3.29Å; F6-D257 WeakPolarHBondContact CZ-OD2 3.43Å
7L46.1Very low64.6Low151 Ų151106 Ų10679%0.79154%0.538SS*.  trans-66.297.4168.7-93.1155.3000105.5A5 W9A5-L7 PolarHBondContact O-N 3.46Å; L7-W9 PolarHBondContact O-N 3.18Å
8Q63.1Low66.1Low185 Ų185105.1 Ų105.186%0.86453%0.534SS*.  trans-61.2110.1176.5-163.4172.215.300108F6 R10F6-Q8 VanDerWaalsContact C-N 3.3Å; F6-Q8 PolarHBondContact O-N 3.29Å; Q8-R10 PolarHBondContact O-N 3.13Å
9W81.2Confident67.5Low57 Ų57102.5 Ų102.522%0.21652%0.524CS..PPolyproline II helixtrans-60.6132.3-179.8-70.955.2000108.9L7 K11 F254 F256 Y301 D302 L303 K306 I308L7-W9 PolarHBondContact O-N 3.18Å; W9-K11 PolarHBondContact O-N 3.32Å; W9-F254 HydrophobicContact CH2-CD1 4.38Å; W9-F254 HydrophobicContact CZ2-CD1 4.19Å; W9-F256 HydrophobicContact CD2-CE1 4.45Å; W9-F256 AromaticContact CE2-CE1 3.87Å; W9-F256 HydrophobicContact CH2-CE1 4.17Å; W9-F256 AromaticContact CH2-CZ 3.83Å; W9-F256 HydrophobicContact CH2-CZ 3.83Å; W9-F256 AromaticContact CZ2-CE1 3.72Å; W9-F256 HydrophobicContact CZ2-CE1 3.72Å; W9-F256 AromaticContact CZ2-CZ 3.7Å; W9-F256 HydrophobicContact CZ2-CZ 3.7Å; W9-Y301 HydrophobicContact CD2-CD1 4.12Å; W9-Y301 HydrophobicContact CD2-CE1 4.36Å; W9-Y301 AromaticContact CE3-CD1 3.57Å; W9-Y301 HydrophobicContact CE3-CD1 3.57Å; W9-Y301 HydrophobicContact CE3-CE1 4.24Å; W9-Y301 HydrophobicContact CH2-CD1 4.46Å; W9-Y301 AromaticContact CZ3-CD1 3.76Å; W9-Y301 HydrophobicContact CZ3-CD1 3.76Å; W9-Y301 HydrophobicContact CZ3-CG 4.41Å; W9-D302 WeakPolarHBondContact CZ3-O 3.35Å; W9-L303 HydrophobicContact CH2-CD2 3.54Å; W9-L303 HydrophobicContact CZ3-CD2 4.08Å; W9-K306 VanDerWaalsContact CE3-C 3.44Å; W9-I308 HydrophobicContact CB-CD1 3.78Å; W9-I308 HydrophobicContact CB-CG1 3.8Å
10R85.9Confident68.6Low148 Ų14898 Ų9856%0.55850%0.501SS*.EExtended strand (participates in β ladder)trans-71.9130.2-178.2-67-177.7-179.5-164.4-0.6109.5Q8 F12 F307 I308Q8-R10 PolarHBondContact O-N 3.13Å; R10-F12 HydrophobicContact CB-CE2 3.65Å; R10-F12 HydrophobicContact CB-CZ 3.85Å; R10-F307 WeakPolarHBondContact O-CB 3.43Å; R10-I308 PolarHBondContact O-N 3.39Å
11K88.2Confident69.5Low107 Ų10799.5 Ų99.547%0.46551%0.505SS..EExtended strand (participates in β ladder)trans-92.7129.3-179.3-175.4170.9175.6166.90112.1W9 I308 S311W9-K11 PolarHBondContact O-N 3.32Å; K11-I308 HydrophobicContact CB-CB 4.4Å; K11-I308 HydrophobicContact CG-CB 4.5Å; K11-I308 HydrophobicContact CG-CG2 4.14Å; K11-S311 VanDerWaalsContact NZ-CB 3.31Å; K11-S311 PolarHBondContact NZ-O 3.22Å; K11-S311 PolarHBondContact NZ-OG 3.46Å; K11-S311 VanDerWaalsContact NZ-OG 3.07Å
12F88.3Confident71.9Confident3 Ų390.8 Ų90.81%0.01346%0.463CS..  trans-119.5170.3171.9-58.9-76.8000110.5R10 F14 F307 I308 A309 L351 K354 L356 M359R10-F12 HydrophobicContact CB-CE2 3.65Å; R10-F12 HydrophobicContact CB-CZ 3.85Å; F12-F14 HydrophobicContact CB-CD1 3.81Å; F12-F14 HydrophobicContact CB-CD2 4.23Å; F12-F14 HydrophobicContact CB-CE1 3.7Å; F12-F14 HydrophobicContact CB-CE2 4.13Å; F12-F14 HydrophobicContact CB-CG 4.08Å; F12-F14 HydrophobicContact CB-CZ 3.87Å; F12-F14 HydrophobicContact CD1-CE1 4.24Å; F12-F14 HydrophobicContact CD1-CZ 4.24Å; F12-F14 HydrophobicContact CD2-CE2 4.5Å; F12-F14 HydrophobicContact CD2-CZ 4.36Å; F12-F14 HydrophobicContact CG-CE1 4.04Å; F12-F14 HydrophobicContact CG-CE2 4.31Å; F12-F14 AromaticContact CG-CZ 3.87Å; F12-F14 HydrophobicContact CG-CZ 3.87Å; F12-F307 HydrophobicContact CD2-CB 3.92Å; F12-F307 AromaticContact CD2-CD2 3.75Å; F12-F307 HydrophobicContact CD2-CD2 3.75Å; F12-F307 AromaticContact CD2-CG 3.92Å; F12-F307 HydrophobicContact CD2-CG 3.92Å; F12-F307 HydrophobicContact CE2-CB 3.76Å; F12-F307 HydrophobicContact CE2-CD2 4.37Å; F12-F307 HydrophobicContact CE2-CG 4.07Å; F12-I308 PolarHBondContact N-O 3.43Å; F12-A309 CarbonylContact C-O 3.51Å; F12-A309 VanDerWaalsContact C-O 3.28Å; F12-A309 CarbonylContact O-C 3.6Å; F12-L351 HydrophobicContact CD1-CD2 3.88Å; F12-L351 HydrophobicContact CE1-CD2 3.53Å; F12-L351 HydrophobicContact CZ-CD2 3.98Å; F12-K354 HydrophobicContact CE1-CD 4.06Å; F12-L356 HydrophobicContact CE1-CD1 3.92Å; F12-L356 HydrophobicContact CZ-CD1 3.67Å; F12-M359 HydrophobicContact CE1-CE 4.03Å; F12-M359 HydrophobicContact CE2-CE 3.66Å; F12-M359 HydrophobicContact CE2-SD 3.69Å; F12-M359 HydrophobicContact CZ-CE 3.31Å; F12-M359 HydrophobicContact CZ-SD 3.97Å
13V90.5Very high74.3Confident70 Ų7087.1 Ų87.142%0.42445%0.449SS..  trans-124.765.5176.8-170.40000107Y310 K342 M350V13-Y310 HydrophobicContact CG1-CD2 4.44Å; V13-K342 PolarHBondContact O-NZ 3.01Å; V13-M350 HydrophobicContact CB-CE 4.43Å
14F91.8Very high76.6Confident0 Ų082.9 Ų82.90%044%0.444CS..  trans-81.9-4.3179.8-69.8-13.5000113.2F12 F307 A309 K342 K347 M350 L351 L363F12-F14 HydrophobicContact CB-CD1 3.81Å; F12-F14 HydrophobicContact CB-CD2 4.23Å; F12-F14 HydrophobicContact CB-CE1 3.7Å; F12-F14 HydrophobicContact CB-CE2 4.13Å; F12-F14 HydrophobicContact CB-CG 4.08Å; F12-F14 HydrophobicContact CB-CZ 3.87Å; F12-F14 HydrophobicContact CD1-CE1 4.24Å; F12-F14 HydrophobicContact CD1-CZ 4.24Å; F12-F14 HydrophobicContact CD2-CE2 4.5Å; F12-F14 HydrophobicContact CD2-CZ 4.36Å; F12-F14 HydrophobicContact CG-CE1 4.04Å; F12-F14 HydrophobicContact CG-CE2 4.31Å; F12-F14 AromaticContact CG-CZ 3.87Å; F12-F14 HydrophobicContact CG-CZ 3.87Å; F14-F307 AromaticContact CD2-CE2 3.66Å; F14-F307 HydrophobicContact CD2-CE2 3.66Å; F14-F307 HydrophobicContact CD2-CZ 4.04Å; F14-F307 HydrophobicContact CE2-CD2 4.24Å; F14-F307 HydrophobicContact CE2-CE1 4.37Å; F14-F307 AromaticContact CE2-CE2 3.46Å; F14-F307 HydrophobicContact CE2-CE2 3.46Å; F14-F307 VanDerWaalsContact CE2-CE2 3.46Å; F14-F307 AromaticContact CE2-CZ 3.56Å; F14-F307 HydrophobicContact CE2-CZ 3.56Å; F14-A309 HydrophobicContact CB-CB 4.44Å; F14-A309 HydrophobicContact CD2-CB 4.28Å; F14-A309 PolarHBondContact N-O 3.41Å; F14-K342 PolarHBondContact O-N 2.89Å; F14-K347 HydrophobicContact CB-CD 4.35Å; F14-K347 HydrophobicContact CB-CG 4.35Å; F14-K347 HydrophobicContact CD1-CB 4.16Å; F14-K347 HydrophobicContact CD1-CD 4.31Å; F14-K347 HydrophobicContact CD1-CG 3.68Å; F14-K347 HydrophobicContact CD2-CD 4.05Å; F14-K347 HydrophobicContact CD2-CG 4.31Å; F14-K347 HydrophobicContact CE1-CB 3.88Å; F14-K347 HydrophobicContact CE1-CG 3.94Å; F14-K347 HydrophobicContact CE2-CD 4.38Å; F14-K347 HydrophobicContact CG-CD 4.01Å; F14-K347 HydrophobicContact CG-CG 3.88Å; F14-K347 HydrophobicContact CZ-CB 4.13Å; F14-K347 HydrophobicContact CZ-CG 4.37Å; F14-M350 HydrophobicContact CD1-SD 4.29Å; F14-M350 HydrophobicContact CE1-SD 4.42Å; F14-L351 HydrophobicContact CZ-CD1 4.44Å; F14-L351 HydrophobicContact CZ-CD2 4.01Å; F14-L351 HydrophobicContact CZ-CG 4.23Å; F14-L363 HydrophobicContact CE2-CD2 4.36Å; F14-L363 HydrophobicContact CZ-CD2 4.4Å
15F93.3Very high78.9Confident0 Ų082.1 Ų82.10%043%0.429CS..EExtended strand (participates in β ladder)trans-120.9133.4174.8-68.1-91.5000109.4Y269 I300 A309 Y310 F327 L339 Q340 E341F15-Y269 HydrophobicContact CE2-CE2 4.34Å; F15-Y269 HydrophobicContact CZ-CD2 4.1Å; F15-Y269 AromaticContact CZ-CE2 3.86Å; F15-Y269 HydrophobicContact CZ-CE2 3.86Å; F15-I300 HydrophobicContact CD1-CD1 4.4Å; F15-I300 HydrophobicContact CD2-CD1 3.89Å; F15-I300 HydrophobicContact CE1-CD1 4.46Å; F15-I300 HydrophobicContact CE2-CD1 3.93Å; F15-I300 HydrophobicContact CE2-CG2 3.98Å; F15-I300 HydrophobicContact CG-CD1 4.12Å; F15-I300 HydrophobicContact CZ-CD1 4.22Å; F15-I300 HydrophobicContact CZ-CG2 4.42Å; F15-A309 HydrophobicContact CD2-CB 4.23Å; F15-A309 HydrophobicContact CE2-CB 3.83Å; F15-Y310 HydrophobicContact CB-CD2 3.8Å; F15-Y310 HydrophobicContact CB-CE2 4.44Å; F15-Y310 HydrophobicContact CB-CG 3.85Å; F15-Y310 HydrophobicContact CD2-CG 4.46Å; F15-Y310 HydrophobicContact CG-CG 4.49Å; F15-Y310 WeakPolarHBondContact O-CD2 3.26Å; F15-F327 HydrophobicContact CD1-CD2 4.26Å; F15-F327 AromaticContact CE1-CD2 3.64Å; F15-F327 HydrophobicContact CE1-CD2 3.64Å; F15-F327 AromaticContact CE1-CE2 3.49Å; F15-F327 HydrophobicContact CE1-CE2 3.49Å; F15-F327 VanDerWaalsContact CE1-CE2 3.49Å; F15-F327 HydrophobicContact CZ-CD2 4.41Å; F15-F327 AromaticContact CZ-CE2 3.94Å; F15-F327 HydrophobicContact CZ-CE2 3.94Å; F15-L339 HydrophobicContact CB-CB 4.39Å; F15-L339 HydrophobicContact CD1-CB 4.11Å; F15-Q340 VanDerWaalsContact CA-O 3.3Å; F15-Q340 WeakPolarHBondContact CA-O 3.46Å; F15-E341 HydrophobicContact CD1-CB 4Å; F15-E341 HydrophobicContact CD1-CG 4.39Å; F15-E341 HydrophobicContact CE1-CB 3.54Å; F15-E341 HydrophobicContact CE1-CG 3.77Å; F15-E341 HydrophobicContact CZ-CB 4.16Å; F15-E341 HydrophobicContact CZ-CG 3.86Å
16D92.5Very high80.5Confident70 Ų7082.9 Ų82.937%0.37443%0.429SS..EExtended strand (participates in β ladder)trans-93.2136.8167.4-66.2-40.2000109L339 Q340 K342D16-L339 WeakPolarHBondContact O-CA 3.25Å; D16-Q340 PolarHBondContact N-O 3.28Å; D16-Q340 PolarHBondContact O-N 3.36Å; D16-K342 WeakPolarHBondContact OD1-CE 3.34Å; D16-K342 IonicContact OD1-NZ 2.83Å; D16-K342 PolarHBondContact OD1-NZ 2.58Å; D16-K342 WeakPolarHBondContact OD2-CE 3.45Å; D16-K342 IonicContact OD2-NZ 3.37Å
17K93.3Very high81.9Confident78 Ų7877.3 Ų77.334%0.33942%0.422SS..EExtended strand (participates in β ladder)trans-106.1120.6-179.4171.8-178.2171.1171.70109.1Y310 F314 L339K17-Y310 WeakPolarHBondContact CB-OH 3.46Å; K17-Y310 WeakPolarHBondContact CD-OH 3.39Å; K17-F314 HydrophobicContact CD-CE1 4.01Å; K17-F314 HydrophobicContact CD-CZ 3.93Å; K17-L339 HydrophobicContact CB-CD2 3.67Å; K17-L339 HydrophobicContact CG-CD2 4.05Å
18D92Very high83.6Confident90 Ų9076.3 Ų76.348%0.48141%0.411SS..EExtended strand (participates in β ladder)trans-125.3150.9171.9-69.5-51.6000111.1F337 I338D18-F337 CarbonylContact O-C 3.6Å; D18-F337 WeakPolarHBondContact O-CA 3.32Å; D18-I338 HydrophobicContact CB-CG2 3.76Å; D18-I338 PolarHBondContact N-O 3.27Å; D18-I338 PolarHBondContact O-N 3.45Å
19T91.7Very high84.5Confident55 Ų5570.6 Ų70.634%0.33739%0.389SS..EExtended strand (participates in β ladder)trans-85.7130.7170.6-51.70000108.5K21 T29 F337T19-K21 PolarHBondContact O-N 3.44Å; T19-T29 HydrophobicContact CG2-CG2 3.77Å; T19-F337 HydrophobicContact CG2-CD1 4.39Å; T19-F337 HydrophobicContact CG2-CE1 4.22Å; T19-F337 WeakPolarHBondContact OG1-CE1 3.47Å
20V89.5Confident84.7Confident12 Ų1268.5 Ų68.57%0.07338%0.382CS..PPolyproline II helixtrans-67.7127179.5-177.30000109.7F30 L62 Y328 M336 I338V20-F30 HydrophobicContact CB-CB 4.37Å; V20-F30 HydrophobicContact CG1-CB 3.94Å; V20-F30 HydrophobicContact CG1-CG 4.41Å; V20-F30 PolarHBondContact O-N 2.86Å; V20-L62 HydrophobicContact CG1-CD1 3.38Å; V20-L62 HydrophobicContact CG1-CD2 4.09Å; V20-L62 HydrophobicContact CG1-CG 4.39Å; V20-Y328 HydrophobicContact CG2-CD1 4.44Å; V20-Y328 HydrophobicContact CG2-CE1 4.32Å; V20-M336 HydrophobicContact CB-CB 4.28Å; V20-M336 HydrophobicContact CB-CE 3.91Å; V20-M336 HydrophobicContact CB-CG 4.45Å; V20-M336 WeakPolarHBondContact CB-O 3.38Å; V20-M336 HydrophobicContact CG1-CE 3.65Å; V20-M336 HydrophobicContact CG2-CB 4.24Å; V20-M336 HydrophobicContact CG2-CE 3.8Å; V20-M336 HydrophobicContact CG2-CG 3.93Å; V20-M336 WeakPolarHBondContact CG2-O 3.38Å; V20-M336 PolarHBondContact N-O 3.28Å; V20-I338 HydrophobicContact CG2-CB 4.06Å; V20-I338 HydrophobicContact CG2-CG2 4.27Å
21K88.2Confident84.8Confident130 Ų13067.1 Ų67.157%0.56538%0.384SS*.BIsolated β-bridgetrans-99.8153.2179.8-61.1-172.8-179.4-178.60111T19 S26 K28T19-K21 PolarHBondContact O-N 3.44Å; K21-S26 WeakPolarHBondContact CD-O 3.02Å; K21-K28 WeakPolarHBondContact CA-O 3.23Å
22D81.2Confident84.8Confident55 Ų5562.3 Ų62.329%0.29436%0.363SS..PPolyproline II helixtrans-67.4128.5176.7-166-41.7000110.4A24 D25 K28D22-A24 PolarHBondContact O-N 3.31Å; D22-A24 WeakPolarHBondContact OD1-CB 3.02Å; D22-A24 PolarHBondContact OD1-N 3.41Å; D22-D25 CarbonylContact O-C 3.39Å; D22-D25 PolarHBondContact O-N 2.91Å; D22-K28 HydrophobicContact CB-CB 4.44Å; D22-K28 PolarHBondContact N-O 3.12Å
23P76.8Confident84.7Confident85 Ų8563 Ų6355%0.55237%0.369SS*.SBendtrans-61.5-29.6176.4-16.725.7000113.9L62P23-L62 HydrophobicContact CG-CB 3.77Å; P23-L62 HydrophobicContact CG-CD1 4.05Å; P23-L62 HydrophobicContact CG-CG 4.39Å
24A75.9Confident84.5Confident97 Ų9768.3 Ų68.380%0.80239%0.386SS*.SBendtrans-84.1-23.3-176.700000112.7D22D22-A24 PolarHBondContact O-N 3.31Å; D22-A24 WeakPolarHBondContact OD1-CB 3.02Å; D22-A24 PolarHBondContact OD1-N 3.41Å
25D78.6Confident84.3Confident65 Ų6576.7 Ų76.735%0.34842%0.417SS..  trans-141.792-178.6-170.6-10.8000110.1D22 G27 K28D22-D25 CarbonylContact O-C 3.39Å; D22-D25 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact O-N 3.08Å; D25-K28 HydrophobicContact CB-CB 4.44Å; D25-K28 HydrophobicContact CB-CD 4.45Å; D25-K28 HydrophobicContact CB-CG 4.49Å; D25-K28 PolarHBondContact O-N 2.98Å; D25-K28 VanDerWaalsContact OD2-CD 3.29Å; D25-K28 WeakPolarHBondContact OD2-CD 3.26Å; D25-K28 VanDerWaalsContact OD2-CE 3.23Å; D25-K28 WeakPolarHBondContact OD2-CE 3.31Å; D25-K28 IonicContact OD2-NZ 2.85Å; D25-K28 PolarHBondContact OD2-NZ 3.35Å
26S63.3Low84.2Confident103 Ų10377.8 Ų77.872%0.7242%0.423SS*.THydrogen-bonded Turntrans-57.2-3.3-173.262.60000116.4K21K21-S26 WeakPolarHBondContact CD-O 3.02Å
27G68.4Low84.2Confident63 Ų6376.5 Ų76.565%0.64942%0.419SS*.THydrogen-bonded Turntrans-102.4-18.9172.800000115.6D25D25-G27 PolarHBondContact O-N 3.08Å
28K81.6Confident84.2Confident129 Ų12973.3 Ų73.356%0.56141%0.407SS*.SBendtrans-94.8145.2-175.8-71.4-175.6-176.2130.30112.2K21 D22 D25K21-K28 WeakPolarHBondContact CA-O 3.23Å; D22-K28 HydrophobicContact CB-CB 4.44Å; D22-K28 PolarHBondContact N-O 3.12Å; D25-K28 HydrophobicContact CB-CB 4.44Å; D25-K28 HydrophobicContact CB-CD 4.45Å; D25-K28 HydrophobicContact CB-CG 4.49Å; D25-K28 PolarHBondContact O-N 2.98Å; D25-K28 VanDerWaalsContact OD2-CD 3.29Å; D25-K28 WeakPolarHBondContact OD2-CD 3.26Å; D25-K28 VanDerWaalsContact OD2-CE 3.23Å; D25-K28 WeakPolarHBondContact OD2-CE 3.31Å; D25-K28 IonicContact OD2-NZ 2.85Å; D25-K28 PolarHBondContact OD2-NZ 3.35Å
29T82.6Confident84.3Confident65 Ų6569.9 Ų69.940%0.39939%0.391SS..BIsolated β-bridgetrans-71.6136.1171.850.20000109.8T19T19-T29 HydrophobicContact CG2-CG2 3.77Å
30F85.5Confident84.5Confident13 Ų1369 Ų696%0.05738%0.384CS..PPolyproline II helixtrans-63.5135.4170.9-177.6-97.9000109.7V20 L32 M58 L62 L64 M336V20-F30 HydrophobicContact CB-CB 4.37Å; V20-F30 HydrophobicContact CG1-CB 3.94Å; V20-F30 HydrophobicContact CG1-CG 4.41Å; V20-F30 PolarHBondContact O-N 2.86Å; F30-L32 HydrophobicContact CE1-CD2 4.09Å; F30-M58 HydrophobicContact CE1-SD 3.64Å; F30-M58 HydrophobicContact CZ-SD 3.63Å; F30-L62 HydrophobicContact CD2-CB 4.35Å; F30-L62 HydrophobicContact CE2-CB 4Å; F30-L62 HydrophobicContact CZ-CB 4.44Å; F30-L64 HydrophobicContact CE1-CD1 4.24Å; F30-L64 HydrophobicContact CE2-CD1 4.07Å; F30-L64 HydrophobicContact CZ-CD1 3.41Å; F30-L64 VanDerWaalsContact CZ-CD1 3.41Å; F30-L64 HydrophobicContact CZ-CG 3.99Å; F30-M336 HydrophobicContact CD1-CE 3.81Å; F30-M336 HydrophobicContact CE1-CE 3.96Å
31I86.8Confident84.7Confident120 Ų12068.9 Ų68.962%0.61538%0.384SS*.  trans-113.7123.8-176.5-57.1177.1000108.7G334I31-G334 WeakPolarHBondContact CA-O 3.25Å
32L88.2Confident84.8Confident5 Ų562.8 Ų62.83%0.02636%0.357CS..PPolyproline II helixtrans-71.2156.2175.4-69.5167.4000111.8F30 I36 L48 L330 G334 K335 M336F30-L32 HydrophobicContact CE1-CD2 4.09Å; L32-I36 HydrophobicContact CB-CD1 3.94Å; L32-I36 HydrophobicContact CD1-CD1 4.29Å; L32-L48 HydrophobicContact CD2-CD1 3.88Å; L32-L330 HydrophobicContact CD1-CB 4.01Å; L32-L330 HydrophobicContact CD1-CD2 3.66Å; L32-L330 HydrophobicContact CD1-CG 4.36Å; L32-L330 HydrophobicContact CD2-CD2 4.05Å; L32-L330 HydrophobicContact CG-CD2 4.5Å; L32-G334 PolarHBondContact N-O 2.94Å; L32-K335 WeakPolarHBondContact CD1-O 3.29Å; L32-M336 HydrophobicContact CD1-CB 4.2Å; L32-M336 HydrophobicContact CD2-SD 4.19Å; L32-M336 HydrophobicContact CG-CB 4.32Å
33P86.6Confident85.1Confident19 Ų1964.9 Ų64.912%0.12336%0.361CS..PPolyproline II helixtrans-51.1143.9167.9-24.734000111.5I36 L48 W56 L64P33-I36 WeakPolarHBondContact O-CG1 3.35Å; P33-L48 HydrophobicContact CG-CD1 4.37Å; P33-W56 HydrophobicContact CB-CD2 4.13Å; P33-W56 HydrophobicContact CB-CG 4.31Å; P33-W56 HydrophobicContact CB-CZ2 4.39Å; P33-W56 HydrophobicContact CG-CB 4.34Å; P33-W56 HydrophobicContact CG-CD2 3.61Å; P33-W56 HydrophobicContact CG-CE3 4.01Å; P33-W56 HydrophobicContact CG-CG 3.75Å; P33-L64 HydrophobicContact CG-CD2 4.44Å
34K85.9Confident85.7Confident180 Ų18062.1 Ų62.178%0.78335%0.348SS*.THydrogen-bonded Turntrans-73150.1178.1-68.7-178.1178.9179.10109.7I36K34-I36 PolarHBondContact O-N 2.84Å
35R88.4Confident86.5Confident177 Ų17760.1 Ų60.167%0.66832%0.322SS*.THydrogen-bonded Turntrans5845.1171.9-60.7174.3166.9-174.5-4.1114.3S37 D50 M51 E52R35-S37 PolarHBondContact O-N 2.93Å; R35-D50 WeakPolarHBondContact O-CA 3.3Å; R35-M51 HydrophobicContact CB-CB 4.09Å; R35-M51 HydrophobicContact CB-CG 4.13Å; R35-M51 WeakPolarHBondContact O-CG 3.25Å; R35-M51 PolarHBondContact O-N 3.43Å; R35-M51 VanDerWaalsContact O-N 3.11Å; R35-E52 WeakPolarHBondContact CD-OE1 3.25Å; R35-E52 IonicContact CZ-OE1 3.72Å; R35-E52 IonicContact NE-OE1 3.99Å; R35-E52 IonicContact NH1-OE1 3.81Å; R35-E52 PolarHBondContact NH1-OE1 2.92Å
36I92.1Very high87.2Confident23 Ų2357 Ų5712%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-60.3127.1169.4-62.3164.3000109L32 P33 K34 A38 L48 G49 I318L32-I36 HydrophobicContact CB-CD1 3.94Å; L32-I36 HydrophobicContact CD1-CD1 4.29Å; P33-I36 WeakPolarHBondContact O-CG1 3.35Å; K34-I36 PolarHBondContact O-N 2.84Å; I36-A38 WeakPolarHBondContact CG2-O 3.17Å; I36-L48 HydrophobicContact CD1-CD1 3.94Å; I36-L48 HydrophobicContact CD1-CD2 4.38Å; I36-L48 HydrophobicContact CG1-CB 4.47Å; I36-L48 HydrophobicContact CG2-CB 4.41Å; I36-L48 HydrophobicContact CG2-CD2 4.42Å; I36-G49 CarbonylContact C-O 3.53Å; I36-G49 WeakPolarHBondContact CA-O 3.32Å; I36-I318 HydrophobicContact CB-CD1 4.18Å; I36-I318 HydrophobicContact CD1-CD1 4.43Å; I36-I318 HydrophobicContact CG2-CG2 4.46Å
37S92.3Very high88.7Confident42 Ų4252.1 Ų52.129%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-109.7-25.9-179.456.10000113R35 G49 D50 M51 V74R35-S37 PolarHBondContact O-N 2.93Å; S37-G49 PolarHBondContact N-O 3.11Å; S37-G49 PolarHBondContact OG-O 3.44Å; S37-G49 VanDerWaalsContact OG-O 3.13Å; S37-D50 PolarHBondContact OG-O 3.14Å; S37-M51 VanDerWaalsContact CB-SD 3.58Å; S37-V74 WeakPolarHBondContact CB-O 3.49Å; S37-V74 PolarHBondContact OG-O 3.02Å
38A92.9Very high90Very high11 Ų1149.1 Ų49.19%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-146.1149.6178.500000110.1I36 G49 V74 L77I36-A38 WeakPolarHBondContact CG2-O 3.17Å; A38-G49 PolarHBondContact N-O 2.85Å; A38-G49 PolarHBondContact O-N 2.65Å; A38-V74 HydrophobicContact CB-CG1 4.37Å; A38-L77 HydrophobicContact CB-CB 4.46Å; A38-L77 HydrophobicContact CB-CD1 4.08Å; A38-L77 HydrophobicContact CB-CG 3.99Å
39S94.8Very high90.7Very high19 Ų1943 Ų4313%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-144.8149.4175.840.20000110.4V47 D319S39-V47 WeakPolarHBondContact CA-O 3.46Å; S39-D319 WeakPolarHBondContact OG-CB 3.4Å; S39-D319 VanDerWaalsContact OG-CG 3.31Å; S39-D319 PolarHBondContact OG-OD2 3.01Å
40D94.3Very high91.2Very high37 Ų3740.2 Ų40.220%0.19820%0.196CC..EExtended strand (participates in β ladder)trans-156.5169.6167.9-161.78.9000109.8V47 L77 F78 Q79D40-V47 PolarHBondContact N-O 3.37Å; D40-V47 PolarHBondContact O-N 2.87Å; D40-L77 HydrophobicContact CB-CB 4.24Å; D40-F78 VanDerWaalsContact OD2-CA 3.24Å; D40-F78 WeakPolarHBondContact OD2-CA 3.49Å; D40-Q79 HydrophobicContact CB-CB 4.45Å; D40-Q79 PolarHBondContact OD2-N 2.66Å
41S93.6Very high91.6Very high9 Ų943.7 Ų43.76%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-139.2146.4174.968.50000113.1H45 A322S41-H45 WeakPolarHBondContact CA-O 3.32Å; S41-A322 PolarHBondContact OG-O 3.09Å
42G90.6Very high91.9Very high1 Ų141.5 Ų41.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans174161.1172.800000112.8G44 H45 E323G42-G44 PolarHBondContact O-N 3.35Å; G42-G44 VanDerWaalsContact O-N 3.12Å; G42-H45 PolarHBondContact N-O 2.68Å; G42-H45 PolarHBondContact O-N 2.97Å; G42-E323 VanDerWaalsContact CA-OE2 3.31Å; G42-E323 WeakPolarHBondContact CA-OE2 3.46Å; G42-E323 PolarHBondContact N-OE2 2.86Å
43R88.9Confident92.1Very high100 Ų10041.2 Ų41.238%0.37720%0.199SC..THydrogen-bonded Turntrans51.735.9176.7-161.9179.9161.4126.9-11.2113.1H45 H83 S84 D106R43-H45 VanDerWaalsContact C-N 3.35Å; R43-H45 PolarHBondContact O-CD2 3.18Å; R43-H83 VanDerWaalsContact NH1-C 3.34Å; R43-S84 PolarHBondContact NE-OG 3.2Å; R43-S84 PolarHBondContact NH2-OG 3.06Å; R43-D106 IonicContact CZ-OD2 3.19Å; R43-D106 IonicContact NH2-OD1 2.7Å; R43-D106 PolarHBondContact NH2-OD1 3.11Å; R43-D106 IonicContact NH2-OD2 3.92Å; R43-D106 PolarHBondContact NH2-OD2 2.9Å
44G89.2Confident92.6Very high26 Ų2642.9 Ų42.927%0.26821%0.205SC..THydrogen-bonded Turntrans80.511178.700000115G42 E323 W324G42-G44 PolarHBondContact O-N 3.35Å; G42-G44 VanDerWaalsContact O-N 3.12Å; G44-E323 WeakPolarHBondContact CA-OE1 3.42Å; G44-E323 PolarHBondContact N-OE1 2.97Å; G44-W324 VanDerWaalsContact C-NE1 3.34Å; G44-W324 PolarHBondContact O-NE1 3.08Å
45H91.7Very high93Very high56 Ų5634.3 Ų34.326%0.25917%0.168SC..EExtended strand (participates in β ladder)trans-122.8143.2176.5-63.6-73.8000111.7S41 G42 R43 V47 M58S41-H45 WeakPolarHBondContact CA-O 3.32Å; G42-H45 PolarHBondContact N-O 2.68Å; G42-H45 PolarHBondContact O-N 2.97Å; R43-H45 VanDerWaalsContact C-N 3.35Å; R43-H45 PolarHBondContact O-CD2 3.18Å; H45-V47 HydrophobicContact CB-CG2 4.41Å; H45-M58 WeakPolarHBondContact CA-O 3.16Å
46V94.2Very high93.3Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-97.9125.9159.8165.10000107L48 M58 L321 E323 W324V46-L48 HydrophobicContact CG1-CD2 3.95Å; V46-L48 HydrophobicContact CG1-CG 4.23Å; V46-M58 HydrophobicContact CB-CB 4.22Å; V46-M58 HydrophobicContact CB-CE 3.8Å; V46-M58 HydrophobicContact CG1-CE 3.78Å; V46-M58 HydrophobicContact CG2-CE 4.14Å; V46-M58 PolarHBondContact N-O 2.95Å; V46-M58 PolarHBondContact O-N 2.83Å; V46-L321 HydrophobicContact CB-CD1 4.45Å; V46-L321 HydrophobicContact CG1-CD1 3.54Å; V46-L321 HydrophobicContact CG2-CD1 4.3Å; V46-E323 HydrophobicContact CG2-CB 4.22Å; V46-W324 HydrophobicContact CB-CH2 4.23Å; V46-W324 HydrophobicContact CG2-CH2 3.73Å; V46-W324 HydrophobicContact CG2-CZ2 4.08Å; V46-W324 HydrophobicContact CG2-CZ3 4.25Å
47V95.2Very high93.4Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-111.8127.3-175-168.60000108.7S39 D40 H45 I55 W56 L57 L77 Q79 L86S39-V47 WeakPolarHBondContact CA-O 3.46Å; D40-V47 PolarHBondContact N-O 3.37Å; D40-V47 PolarHBondContact O-N 2.87Å; H45-V47 HydrophobicContact CB-CG2 4.41Å; V47-I55 HydrophobicContact CG1-CG2 3.6Å; V47-W56 CarbonylContact C-O 3.56Å; V47-W56 WeakPolarHBondContact CA-O 3.42Å; V47-L57 HydrophobicContact CB-CD2 4.29Å; V47-L57 HydrophobicContact CG1-CD2 3.88Å; V47-L57 HydrophobicContact CG2-CD2 3.73Å; V47-L77 HydrophobicContact CB-CD1 4.44Å; V47-L77 HydrophobicContact CG1-CD1 3.85Å; V47-L77 HydrophobicContact CG1-CD2 4.39Å; V47-Q79 HydrophobicContact CG2-CB 4.24Å; V47-Q79 HydrophobicContact CG2-CG 4.24Å; V47-L86 HydrophobicContact CG1-CD1 4.09Å; V47-L86 HydrophobicContact CG1-CD2 3.84Å
48L95.6Very high93.5Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-124.6133.2-179.5-48.6169.3000109.3L32 P33 I36 V46 I55 W56 L330L32-L48 HydrophobicContact CD2-CD1 3.88Å; P33-L48 HydrophobicContact CG-CD1 4.37Å; I36-L48 HydrophobicContact CD1-CD1 3.94Å; I36-L48 HydrophobicContact CD1-CD2 4.38Å; I36-L48 HydrophobicContact CG1-CB 4.47Å; I36-L48 HydrophobicContact CG2-CB 4.41Å; I36-L48 HydrophobicContact CG2-CD2 4.42Å; V46-L48 HydrophobicContact CG1-CD2 3.95Å; V46-L48 HydrophobicContact CG1-CG 4.23Å; L48-I55 CarbonylContact O-C 3.58Å; L48-I55 WeakPolarHBondContact O-CA 3.27Å; L48-W56 HydrophobicContact CB-CB 4.2Å; L48-W56 PolarHBondContact N-O 3.14Å; L48-W56 PolarHBondContact O-N 2.87Å; L48-L330 HydrophobicContact CD2-CD1 3.57Å
49G95.5Very high93.4Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-107.2141.7171.900000109.4I36 S37 A38 Q54 L77I36-G49 CarbonylContact C-O 3.53Å; I36-G49 WeakPolarHBondContact CA-O 3.32Å; S37-G49 PolarHBondContact N-O 3.11Å; S37-G49 PolarHBondContact OG-O 3.44Å; S37-G49 VanDerWaalsContact OG-O 3.13Å; A38-G49 PolarHBondContact N-O 2.85Å; A38-G49 PolarHBondContact O-N 2.65Å; G49-Q54 WeakPolarHBondContact CA-O 3.47Å; G49-L77 VanDerWaalsContact N-CD1 3.28Å
50D93.9Very high93.2Very high6 Ų635.2 Ų35.23%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-113.8171.7177.867.826000113.8R35 S37 E52 G53 Q54 W56 V74R35-D50 WeakPolarHBondContact O-CA 3.3Å; S37-D50 PolarHBondContact OG-O 3.14Å; D50-E52 PolarHBondContact O-N 3.26Å; D50-E52 VanDerWaalsContact OD1-C 3.27Å; D50-E52 WeakPolarHBondContact OD1-CA 3.18Å; D50-E52 PolarHBondContact OD1-N 2.96Å; D50-G53 PolarHBondContact O-N 2.86Å; D50-G53 PolarHBondContact OD1-N 2.83Å; D50-Q54 PolarHBondContact N-O 3.05Å; D50-Q54 VanDerWaalsContact N-O 3.09Å; D50-Q54 PolarHBondContact OD1-N 3.28Å; D50-Q54 WeakPolarHBondContact OD2-CB 3.1Å; D50-W56 PolarHBondContact OD2-NE1 2.81Å; D50-V74 PolarHBondContact O-N 2.73Å
51M92.8Very high92.9Very high87 Ų8736.6 Ų36.643%0.42918%0.176SC..THydrogen-bonded Turntrans-75.9-0.6177.9-67.4-67.1-7800113.5R35 S37 L72 R73R35-M51 HydrophobicContact CB-CB 4.09Å; R35-M51 HydrophobicContact CB-CG 4.13Å; R35-M51 WeakPolarHBondContact O-CG 3.25Å; R35-M51 PolarHBondContact O-N 3.43Å; R35-M51 VanDerWaalsContact O-N 3.11Å; S37-M51 VanDerWaalsContact CB-SD 3.58Å; M51-L72 CarbonylContact C-O 3.53Å; M51-R73 HydrophobicContact SD-CB 4.4Å
52E93.6Very high92.6Very high73 Ų7337.5 Ų37.534%0.34118%0.18SC..THydrogen-bonded Turntrans-1072.9177.5-69.475.4-161.300111.9R35 D50 Q68 L72R35-E52 WeakPolarHBondContact CD-OE1 3.25Å; R35-E52 IonicContact CZ-OE1 3.72Å; R35-E52 IonicContact NE-OE1 3.99Å; R35-E52 IonicContact NH1-OE1 3.81Å; R35-E52 PolarHBondContact NH1-OE1 2.92Å; D50-E52 PolarHBondContact O-N 3.26Å; D50-E52 VanDerWaalsContact OD1-C 3.27Å; D50-E52 WeakPolarHBondContact OD1-CA 3.18Å; D50-E52 PolarHBondContact OD1-N 2.96Å; E52-Q68 PolarHBondContact O-NE2 3.34Å; E52-L72 CarbonylContact C-O 3.58Å; E52-L72 VanDerWaalsContact CA-O 3.3Å; E52-L72 WeakPolarHBondContact CA-O 3.43Å
53G93.2Very high92.5Very high0 Ų043.6 Ų43.60%021%0.208CC..SBendtrans87.111.2172.900000114.7D50 A69 Y70 L72D50-G53 PolarHBondContact O-N 2.86Å; D50-G53 PolarHBondContact OD1-N 2.83Å; G53-A69 PolarHBondContact O-N 3.33Å; G53-Y70 WeakPolarHBondContact CA-O 3.29Å; G53-Y70 PolarHBondContact O-N 3.14Å; G53-L72 PolarHBondContact N-O 2.81Å
54Q95.3Very high92.5Very high53 Ų5341.6 Ų41.625%0.24820%0.204CC..EExtended strand (participates in β ladder)trans-90.9148.5175.4-49.5-169.1-14.300111.6G49 D50 F67G49-Q54 WeakPolarHBondContact CA-O 3.47Å; D50-Q54 PolarHBondContact N-O 3.05Å; D50-Q54 VanDerWaalsContact N-O 3.09Å; D50-Q54 PolarHBondContact OD1-N 3.28Å; D50-Q54 WeakPolarHBondContact OD2-CB 3.1Å; Q54-F67 WeakPolarHBondContact CA-O 3.41Å
55I96.1Very high92.7Very high0 Ų043.8 Ų43.80%021%0.213CC..EExtended strand (participates in β ladder)trans-111.4126.7167.5-65.4176.4000107.6V47 L48 S66 F67 A69 V74 L77 L86V47-I55 HydrophobicContact CG1-CG2 3.6Å; L48-I55 CarbonylContact O-C 3.58Å; L48-I55 WeakPolarHBondContact O-CA 3.27Å; I55-S66 VanDerWaalsContact O-CA 3.22Å; I55-S66 WeakPolarHBondContact O-CA 3.41Å; I55-F67 HydrophobicContact CB-CD1 4.36Å; I55-F67 HydrophobicContact CB-CE1 3.73Å; I55-F67 HydrophobicContact CB-CE2 4.31Å; I55-F67 HydrophobicContact CB-CZ 3.71Å; I55-F67 HydrophobicContact CD1-CE2 4.3Å; I55-F67 HydrophobicContact CD1-CZ 3.95Å; I55-F67 HydrophobicContact CG1-CZ 4.35Å; I55-F67 HydrophobicContact CG2-CE1 3.71Å; I55-F67 HydrophobicContact CG2-CZ 3.87Å; I55-F67 PolarHBondContact N-O 2.86Å; I55-F67 PolarHBondContact O-N 2.79Å; I55-F67 VanDerWaalsContact O-N 3.09Å; I55-A69 HydrophobicContact CB-CB 4.34Å; I55-A69 HydrophobicContact CD1-CB 3.37Å; I55-A69 HydrophobicContact CG1-CB 3.56Å; I55-V74 HydrophobicContact CD1-CG2 4.5Å; I55-V74 HydrophobicContact CG1-CG2 3.81Å; I55-L77 HydrophobicContact CD1-CD2 3.84Å; I55-L77 HydrophobicContact CG1-CD2 4.2Å; I55-L86 HydrophobicContact CD1-CD2 4.16Å; I55-L86 HydrophobicContact CG2-CD2 3.94Å
56W94.8Very high92.7Very high54 Ų5443.6 Ų43.621%0.20522%0.218CC..EExtended strand (participates in β ladder)trans-104.4130.6177.1-57.980.5000109.5P33 V47 L48 D50 L64 T65 S66P33-W56 HydrophobicContact CB-CD2 4.13Å; P33-W56 HydrophobicContact CB-CG 4.31Å; P33-W56 HydrophobicContact CB-CZ2 4.39Å; P33-W56 HydrophobicContact CG-CB 4.34Å; P33-W56 HydrophobicContact CG-CD2 3.61Å; P33-W56 HydrophobicContact CG-CE3 4.01Å; P33-W56 HydrophobicContact CG-CG 3.75Å; V47-W56 CarbonylContact C-O 3.56Å; V47-W56 WeakPolarHBondContact CA-O 3.42Å; L48-W56 HydrophobicContact CB-CB 4.2Å; L48-W56 PolarHBondContact N-O 3.14Å; L48-W56 PolarHBondContact O-N 2.87Å; D50-W56 PolarHBondContact OD2-NE1 2.81Å; W56-L64 HydrophobicContact CB-CD2 4.19Å; W56-L64 HydrophobicContact CE3-CB 4.41Å; W56-L64 HydrophobicContact CE3-CD2 4.24Å; W56-T65 CarbonylContact C-O 3.49Å; W56-T65 VanDerWaalsContact CA-O 3.32Å; W56-T65 WeakPolarHBondContact CA-O 3.24Å; W56-S66 VanDerWaalsContact CE3-CB 3.47Å
57L93.6Very high92.7Very high16 Ų1644.1 Ų44.18%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-111117.3174.1-61.7170.5000108.2V47 T65 F67 L105V47-L57 HydrophobicContact CB-CD2 4.29Å; V47-L57 HydrophobicContact CG1-CD2 3.88Å; V47-L57 HydrophobicContact CG2-CD2 3.73Å; L57-T65 PolarHBondContact N-O 3.14Å; L57-T65 PolarHBondContact O-N 3.49Å; L57-T65 PolarHBondContact O-OG1 3.15Å; L57-F67 HydrophobicContact CD1-CE1 4.24Å; L57-F67 HydrophobicContact CG-CE1 4.49Å; L57-L105 HydrophobicContact CD1-CD2 4.22Å; L57-L105 HydrophobicContact CD2-CD1 4.41Å
58M93.1Very high92.7Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-105.2128.5176-175.1169.869.200110.1F30 H45 V46 L62 Q63 L64 W324 M336F30-M58 HydrophobicContact CE1-SD 3.64Å; F30-M58 HydrophobicContact CZ-SD 3.63Å; H45-M58 WeakPolarHBondContact CA-O 3.16Å; V46-M58 HydrophobicContact CB-CB 4.22Å; V46-M58 HydrophobicContact CB-CE 3.8Å; V46-M58 HydrophobicContact CG1-CE 3.78Å; V46-M58 HydrophobicContact CG2-CE 4.14Å; V46-M58 PolarHBondContact N-O 2.95Å; V46-M58 PolarHBondContact O-N 2.83Å; M58-L62 HydrophobicContact SD-CD2 4.08Å; M58-Q63 WeakPolarHBondContact CA-O 3.44Å; M58-L64 HydrophobicContact CB-CD2 3.92Å; M58-L64 HydrophobicContact CB-CG 4.49Å; M58-L64 HydrophobicContact CG-CD2 4.37Å; M58-L64 HydrophobicContact CG-CG 4.48Å; M58-W324 HydrophobicContact CE-CH2 3.93Å; M58-W324 HydrophobicContact CE-CZ3 4.32Å; M58-W324 HydrophobicContact CG-CH2 4.19Å; M58-M336 HydrophobicContact CE-CE 3.61Å; M58-M336 HydrophobicContact CE-SD 3.51Å; M58-M336 VanDerWaalsContact CE-SD 3.51Å; M58-M336 HydrophobicContact SD-CE 3.95Å; M58-M336 HydrophobicContact SD-SD 4.43Å
59T92.1Very high92.6Very high33 Ų3348.8 Ų48.820%0.20224%0.242CC..  trans-93.1171.5175.966.40000111.6S61 L62 Q63 W324T59-S61 PolarHBondContact O-N 3.29Å; T59-S61 VanDerWaalsContact O-N 3.17Å; T59-S61 PolarHBondContact OG1-OG 2.88Å; T59-L62 WeakPolarHBondContact O-CA 3.48Å; T59-L62 PolarHBondContact O-N 2.92Å; T59-Q63 PolarHBondContact N-O 2.83Å; T59-Q63 VanDerWaalsContact N-O 3.1Å; T59-Q63 PolarHBondContact OG1-N 2.87Å; T59-W324 WeakPolarHBondContact O-CH2 3.34Å; T59-W324 WeakPolarHBondContact O-CZ2 3.41Å
60R89.6Confident92.6Very high189 Ų18949 Ų4971%0.71324%0.243SC*.THydrogen-bonded Turntrans-56.9-29.2175.6-172176.5178.9-179.81.9113.9L62 W324R60-L62 PolarHBondContact O-N 3.26Å; R60-W324 HydrophobicContact CB-CD2 3.97Å; R60-W324 HydrophobicContact CB-CG 3.99Å; R60-W324 HydrophobicContact CG-CB 4.26Å; R60-W324 HydrophobicContact CG-CD2 4.07Å; R60-W324 HydrophobicContact CG-CG 3.85Å; R60-W324 VanDerWaalsContact N-CZ2 3.34Å
61S87.9Confident92.6Very high65 Ų6556.1 Ų56.146%0.45527%0.274SS..THydrogen-bonded Turntrans-79.29.5175.351.50000113.2T59 Q63T59-S61 PolarHBondContact O-N 3.29Å; T59-S61 VanDerWaalsContact O-N 3.17Å; T59-S61 PolarHBondContact OG1-OG 2.88Å; S61-Q63 PolarHBondContact O-N 2.81Å; S61-Q63 WeakPolarHBondContact OG-CG 3.49Å
62L87.4Confident92.6Very high29 Ų2954.2 Ų54.215%0.15227%0.265CS..  trans58.524.5-175.4-52.3174000113V20 P23 F30 M58 T59 R60 L64 W324 M336V20-L62 HydrophobicContact CG1-CD1 3.38Å; V20-L62 HydrophobicContact CG1-CD2 4.09Å; V20-L62 HydrophobicContact CG1-CG 4.39Å; P23-L62 HydrophobicContact CG-CB 3.77Å; P23-L62 HydrophobicContact CG-CD1 4.05Å; P23-L62 HydrophobicContact CG-CG 4.39Å; F30-L62 HydrophobicContact CD2-CB 4.35Å; F30-L62 HydrophobicContact CE2-CB 4Å; F30-L62 HydrophobicContact CZ-CB 4.44Å; M58-L62 HydrophobicContact SD-CD2 4.08Å; T59-L62 WeakPolarHBondContact O-CA 3.48Å; T59-L62 PolarHBondContact O-N 2.92Å; R60-L62 PolarHBondContact O-N 3.26Å; L62-L64 PolarHBondContact O-N 3.27Å; L62-W324 HydrophobicContact CD2-CZ3 4.46Å; L62-M336 HydrophobicContact CD2-CE 3.77Å
63Q88.9Confident92.6Very high129 Ų12954.2 Ų54.260%0.60326%0.262SS*.  trans-78.6122171.9-67.3176.4-17.800108.9M58 T59 S61M58-Q63 WeakPolarHBondContact CA-O 3.44Å; T59-Q63 PolarHBondContact N-O 2.83Å; T59-Q63 VanDerWaalsContact N-O 3.1Å; T59-Q63 PolarHBondContact OG1-N 2.87Å; S61-Q63 PolarHBondContact O-N 2.81Å; S61-Q63 WeakPolarHBondContact OG-CG 3.49Å
64L89.9Confident92.7Very high57 Ų5754.2 Ų54.230%0.29826%0.262SS..EExtended strand (participates in β ladder)trans-95.2127.7175.5-82.3160.5000110F30 P33 W56 M58 L62F30-L64 HydrophobicContact CE1-CD1 4.24Å; F30-L64 HydrophobicContact CE2-CD1 4.07Å; F30-L64 HydrophobicContact CZ-CD1 3.41Å; F30-L64 VanDerWaalsContact CZ-CD1 3.41Å; F30-L64 HydrophobicContact CZ-CG 3.99Å; P33-L64 HydrophobicContact CG-CD2 4.44Å; W56-L64 HydrophobicContact CB-CD2 4.19Å; W56-L64 HydrophobicContact CE3-CB 4.41Å; W56-L64 HydrophobicContact CE3-CD2 4.24Å; M58-L64 HydrophobicContact CB-CD2 3.92Å; M58-L64 HydrophobicContact CB-CG 4.49Å; M58-L64 HydrophobicContact CG-CD2 4.37Å; M58-L64 HydrophobicContact CG-CG 4.48Å; L62-L64 PolarHBondContact O-N 3.27Å
65T91.7Very high92.7Very high73 Ų7353.3 Ų53.345%0.44826%0.26SS..EExtended strand (participates in β ladder)trans-124145.916855.70000108.8W56 L57W56-T65 CarbonylContact C-O 3.49Å; W56-T65 VanDerWaalsContact CA-O 3.32Å; W56-T65 WeakPolarHBondContact CA-O 3.24Å; L57-T65 PolarHBondContact N-O 3.14Å; L57-T65 PolarHBondContact O-N 3.49Å; L57-T65 PolarHBondContact O-OG1 3.15Å
66S93.1Very high92.7Very high52 Ų5255.1 Ų55.136%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-135.5159.1177.961.80000112.9I55 W56I55-S66 VanDerWaalsContact O-CA 3.22Å; I55-S66 WeakPolarHBondContact O-CA 3.41Å; W56-S66 VanDerWaalsContact CE3-CB 3.47Å
67F94.4Very high92.8Very high10 Ų1053.2 Ų53.24%0.04426%0.262CS..EExtended strand (participates in β ladder)trans-146.1151.7171.865.3-81.2000109.9Q54 I55 L57 A69 W103 N112 P113Q54-F67 WeakPolarHBondContact CA-O 3.41Å; I55-F67 HydrophobicContact CB-CD1 4.36Å; I55-F67 HydrophobicContact CB-CE1 3.73Å; I55-F67 HydrophobicContact CB-CE2 4.31Å; I55-F67 HydrophobicContact CB-CZ 3.71Å; I55-F67 HydrophobicContact CD1-CE2 4.3Å; I55-F67 HydrophobicContact CD1-CZ 3.95Å; I55-F67 HydrophobicContact CG1-CZ 4.35Å; I55-F67 HydrophobicContact CG2-CE1 3.71Å; I55-F67 HydrophobicContact CG2-CZ 3.87Å; I55-F67 PolarHBondContact N-O 2.86Å; I55-F67 PolarHBondContact O-N 2.79Å; I55-F67 VanDerWaalsContact O-N 3.09Å; L57-F67 HydrophobicContact CD1-CE1 4.24Å; L57-F67 HydrophobicContact CG-CE1 4.49Å; F67-A69 HydrophobicContact CD2-CB 4.38Å; F67-A69 HydrophobicContact CE2-CB 3.95Å; F67-A69 PolarHBondContact O-N 2.86Å; F67-W103 HydrophobicContact CD2-CH2 4.42Å; F67-W103 HydrophobicContact CD2-CZ3 4.29Å; F67-W103 AromaticContact CE2-CD2 3.93Å; F67-W103 HydrophobicContact CE2-CD2 3.93Å; F67-W103 AromaticContact CE2-CE3 3.83Å; F67-W103 HydrophobicContact CE2-CE3 3.83Å; F67-W103 AromaticContact CE2-CH2 3.93Å; F67-W103 HydrophobicContact CE2-CH2 3.93Å; F67-W103 HydrophobicContact CE2-CZ2 4.03Å; F67-W103 AromaticContact CE2-CZ3 3.81Å; F67-W103 HydrophobicContact CE2-CZ3 3.81Å; F67-W103 HydrophobicContact CZ-CD2 4.31Å; F67-W103 HydrophobicContact CZ-CE3 4.46Å; F67-N112 HydrophobicContact CB-CB 4.36Å; F67-N112 WeakPolarHBondContact CB-OD1 3.31Å; F67-P113 HydrophobicContact CD1-CG 3.84Å; F67-P113 HydrophobicContact CE1-CG 3.67Å; F67-P113 HydrophobicContact CE2-CG 4.37Å; F67-P113 HydrophobicContact CG-CG 4.28Å; F67-P113 HydrophobicContact CZ-CB 4.44Å; F67-P113 HydrophobicContact CZ-CG 3.94Å
68Q94.2Very high92.9Very high96 Ų9654.5 Ų54.545%0.44927%0.267SS..EExtended strand (participates in β ladder)trans-76.7110.8176.8-164.575.135.800109.4E52 Y70E52-Q68 PolarHBondContact O-NE2 3.34Å; Q68-Y70 PolarHBondContact NE2-O 2.84Å
69A93.9Very high93Very high3 Ų354.6 Ų54.63%0.02527%0.268CS..  trans-94.8-35.7-179.800000112.3G53 I55 F67 K101 W103G53-A69 PolarHBondContact O-N 3.33Å; I55-A69 HydrophobicContact CB-CB 4.34Å; I55-A69 HydrophobicContact CD1-CB 3.37Å; I55-A69 HydrophobicContact CG1-CB 3.56Å; F67-A69 HydrophobicContact CD2-CB 4.38Å; F67-A69 HydrophobicContact CE2-CB 3.95Å; F67-A69 PolarHBondContact O-N 2.86Å; A69-K101 WeakPolarHBondContact O-CD 3.44Å; A69-K101 PolarHBondContact O-NZ 2.76Å; A69-W103 HydrophobicContact CB-CH2 4.33Å; A69-W103 HydrophobicContact CB-CZ2 3.71Å
70Y94.9Very high93Very high3 Ų353 Ų531%0.01226%0.258CS..  trans-137.9160.3-178.8-63.1-89.3000111.2G53 Q68 V74 S88 G90 D92 L99 K101G53-Y70 WeakPolarHBondContact CA-O 3.29Å; G53-Y70 PolarHBondContact O-N 3.14Å; Q68-Y70 PolarHBondContact NE2-O 2.84Å; Y70-V74 HydrophobicContact CD2-CG2 3.82Å; Y70-V74 HydrophobicContact CE2-CG2 4.33Å; Y70-S88 WeakPolarHBondContact CE2-OG 3.49Å; Y70-S88 PolarHBondContact OH-O 3.4Å; Y70-S88 PolarHBondContact OH-OG 3.1Å; Y70-G90 VanDerWaalsContact CE1-CA 3.5Å; Y70-G90 VanDerWaalsContact CZ-N 3.31Å; Y70-D92 WeakPolarHBondContact CA-OD1 3.32Å; Y70-D92 WeakPolarHBondContact CB-OD1 3.48Å; Y70-L99 HydrophobicContact CE1-CB 4.06Å; Y70-L99 PolarHBondContact OH-O 2.82Å; Y70-K101 HydrophobicContact CD1-CD 4.23Å; Y70-K101 HydrophobicContact CE1-CD 3.66Å; Y70-K101 HydrophobicContact CE1-CG 3.86Å; Y70-K101 HydrophobicContact CE2-CD 4.43Å; Y70-K101 WeakPolarHBondContact OH-CB 3.18Å; Y70-K101 WeakPolarHBondContact OH-CG 3.4Å; Y70-K101 PolarHBondContact OH-N 3.37Å
71K93.4Very high93Very high156 Ų15650.5 Ų50.568%0.67825%0.252SS*.SBendtrans-78.5-27.4178.8-62.1178.1-178.2171.10113.8D92K71-D92 HydrophobicContact CB-CB 4.46Å; K71-D92 HydrophobicContact CD-CB 4.32Å; K71-D92 HydrophobicContact CG-CB 4.36Å; K71-D92 PolarHBondContact N-OD1 3.47Å
72L93.4Very high93.1Very high47 Ų4753.9 Ų53.925%0.24626%0.261CS..SBendtrans-111.4-71-176.4-57.6176.6000112.3M51 E52 G53 Q91 E93M51-L72 CarbonylContact C-O 3.53Å; E52-L72 CarbonylContact C-O 3.58Å; E52-L72 VanDerWaalsContact CA-O 3.3Å; E52-L72 WeakPolarHBondContact CA-O 3.43Å; G53-L72 PolarHBondContact N-O 2.81Å; L72-Q91 HydrophobicContact CB-CB 4.33Å; L72-Q91 VanDerWaalsContact CB-O 3.3Å; L72-Q91 WeakPolarHBondContact CB-O 3.1Å; L72-Q91 HydrophobicContact CD1-CB 4.38Å; L72-Q91 PolarHBondContact N-O 3.1Å; L72-E93 VanDerWaalsContact CD1-O 3.28Å; L72-E93 WeakPolarHBondContact CD1-O 3.47Å
73R94.1Very high93.3Very high74 Ų7455.7 Ų55.728%0.27927%0.268SS..EExtended strand (participates in β ladder)trans-150.4150.9-176.262.4178176.9172.74.6112.7M51 T75 G90 Q91M51-R73 HydrophobicContact SD-CB 4.4Å; R73-T75 HydrophobicContact CG-CG2 4.12Å; R73-G90 CarbonylContact O-C 3.57Å; R73-G90 WeakPolarHBondContact O-CA 3.44Å; R73-Q91 HydrophobicContact CG-CB 4.43Å; R73-Q91 VanDerWaalsContact NH2-OE1 3.17Å; R73-Q91 PolarHBondContact O-N 3.35Å
74V95.9Very high93.4Very high0 Ų050 Ų500%024%0.243CC..EExtended strand (participates in β ladder)trans-87.6141162.6-177.50000107.9S37 A38 D50 I55 Y70 L77S37-V74 WeakPolarHBondContact CB-O 3.49Å; S37-V74 PolarHBondContact OG-O 3.02Å; A38-V74 HydrophobicContact CB-CG1 4.37Å; D50-V74 PolarHBondContact O-N 2.73Å; I55-V74 HydrophobicContact CD1-CG2 4.5Å; I55-V74 HydrophobicContact CG1-CG2 3.81Å; Y70-V74 HydrophobicContact CD2-CG2 3.82Å; Y70-V74 HydrophobicContact CE2-CG2 4.33Å; V74-L77 HydrophobicContact CG1-CD1 4.46Å; V74-L77 HydrophobicContact CG1-CD2 3.88Å; V74-L77 HydrophobicContact CG1-CG 3.96Å
75T94.1Very high93.7Very high33 Ų3347.7 Ų47.720%0.20223%0.231CC..EExtended strand (participates in β ladder)trans-121.7-35.5-17958.80000112.9R73 V89R73-T75 HydrophobicContact CG-CG2 4.12Å; T75-V89 PolarHBondContact N-O 3.3Å; T75-V89 PolarHBondContact OG1-O 3.27Å
76H95.9Very high93.9Very high38 Ų3844.2 Ų44.218%0.17621%0.21CC..EExtended strand (participates in β ladder)trans-140.6146179.5-57.173.5000109.5S88 V89 V130 S131 L133H76-S88 CarbonylContact O-C 3.55Å; H76-S88 WeakPolarHBondContact O-CA 3.49Å; H76-V89 HydrophobicContact CB-CB 4.05Å; H76-V89 HydrophobicContact CB-CG2 4.26Å; H76-V89 PolarHBondContact N-O 3.32Å; H76-V89 PolarHBondContact O-N 2.94Å; H76-V130 PolarHBondContact CE1-O 3.19Å; H76-S131 VanDerWaalsContact NE2-C 3.27Å; H76-S131 PolarHBondContact NE2-O 3.39Å; H76-L133 HydrophobicContact CB-CB 4.24Å; H76-L133 HydrophobicContact CB-CD2 4.47Å
77L96.5Very high94Very high15 Ų1541.8 Ų41.88%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-131.1144.2174.1-68.6171.1000108.3A38 D40 V47 G49 I55 V74 L86 V87A38-L77 HydrophobicContact CB-CB 4.46Å; A38-L77 HydrophobicContact CB-CD1 4.08Å; A38-L77 HydrophobicContact CB-CG 3.99Å; D40-L77 HydrophobicContact CB-CB 4.24Å; V47-L77 HydrophobicContact CB-CD1 4.44Å; V47-L77 HydrophobicContact CG1-CD1 3.85Å; V47-L77 HydrophobicContact CG1-CD2 4.39Å; G49-L77 VanDerWaalsContact N-CD1 3.28Å; I55-L77 HydrophobicContact CD1-CD2 3.84Å; I55-L77 HydrophobicContact CG1-CD2 4.2Å; V74-L77 HydrophobicContact CG1-CD1 4.46Å; V74-L77 HydrophobicContact CG1-CD2 3.88Å; V74-L77 HydrophobicContact CG1-CG 3.96Å; L77-L86 HydrophobicContact CD2-CD1 4.2Å; L77-L86 HydrophobicContact CD2-CD2 4.46Å; L77-V87 CarbonylContact C-O 3.54Å
78F95.8Very high94.2Very high43 Ų4341.3 Ų41.319%0.18919%0.19CC..EExtended strand (participates in β ladder)trans-143.1105.4170.7-162.4-78000109.1D40 V87 L133 V135D40-F78 VanDerWaalsContact OD2-CA 3.24Å; D40-F78 WeakPolarHBondContact OD2-CA 3.49Å; F78-V87 PolarHBondContact N-O 2.93Å; F78-V87 PolarHBondContact O-N 3.09Å; F78-L133 HydrophobicContact CB-CD2 3.61Å; F78-L133 HydrophobicContact CB-CG 4.04Å; F78-V135 HydrophobicContact CB-CG2 4.07Å; F78-V135 HydrophobicContact CD1-CB 3.53Å; F78-V135 HydrophobicContact CD1-CG2 3.63Å; F78-V135 HydrophobicContact CE1-CB 3.67Å; F78-V135 HydrophobicContact CE1-CG2 4.25Å; F78-V135 WeakPolarHBondContact CE1-O 3.47Å; F78-V135 HydrophobicContact CG-CB 4.22Å; F78-V135 HydrophobicContact CG-CG2 3.88Å; F78-V135 HydrophobicContact CZ-CB 4.44Å; F78-V135 WeakPolarHBondContact CZ-O 3.5Å
79Q94.8Very high94.3Very high2 Ų236.7 Ų36.71%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-92.8116.9178.4178.656.351.600109.3D40 V47 I85 L86D40-Q79 HydrophobicContact CB-CB 4.45Å; D40-Q79 PolarHBondContact OD2-N 2.66Å; V47-Q79 HydrophobicContact CG2-CB 4.24Å; V47-Q79 HydrophobicContact CG2-CG 4.24Å; Q79-I85 PolarHBondContact NE2-O 3.18Å; Q79-L86 HydrophobicContact CB-CD1 4.13Å
80L92.8Very high94.3Very high0 Ų036.6 Ų36.60%017%0.168CC..  trans-68.9140.3174.4-75.4142.5000110.3H83 I85 V135 L139 I158L80-H83 HydrophobicContact CB-CB 4.27Å; L80-I85 HydrophobicContact CD1-CB 3.61Å; L80-I85 HydrophobicContact CD1-CG2 3.69Å; L80-I85 PolarHBondContact N-O 2.98Å; L80-V135 HydrophobicContact CD1-CG1 4.11Å; L80-V135 HydrophobicContact CD2-CB 4.46Å; L80-V135 HydrophobicContact CD2-CG1 4.1Å; L80-V135 HydrophobicContact CG-CG1 4.39Å; L80-L139 HydrophobicContact CD1-CD2 3.48Å; L80-L139 VanDerWaalsContact CD1-CD2 3.48Å; L80-L139 HydrophobicContact CD2-CD2 4.21Å; L80-L139 HydrophobicContact CG-CD2 4.47Å; L80-I158 HydrophobicContact CD1-CD1 4.46Å
81K89.9Confident94.3Very high135 Ų13537.5 Ų37.559%0.58717%0.172SC*.SBendtrans-83.4-33-177.1-59.8178.1-178.71780111.4E137K81-E137 WeakPolarHBondContact CB-OE1 3.42Å; K81-E137 PolarHBondContact N-OE1 3.17Å; K81-E137 PolarHBondContact N-OE2 2.92Å
82Q90.2Very high94.2Very high137 Ų13731.6 Ų31.664%0.6415%0.148SC*.SBendtrans-93.1-24.9-177.4-59.7-176.9-0.100113.4E137Q82-E137 WeakPolarHBondContact CB-OE2 3.29Å; Q82-E137 PolarHBondContact N-OE2 2.84Å
83H90.9Very high94Very high66 Ų6635.1 Ų35.131%0.30616%0.163SC..SBendtrans-119151.1-174-64.5-74.4000112.3R43 L80 I85 E137 L139R43-H83 VanDerWaalsContact NH1-C 3.34Å; L80-H83 HydrophobicContact CB-CB 4.27Å; H83-I85 HydrophobicContact CB-CB 4.4Å; H83-I85 HydrophobicContact CB-CG1 4.11Å; H83-I85 PolarHBondContact O-N 2.98Å; H83-E137 PolarHBondContact CD2-O 3.32Å; H83-E137 PolarHBondContact NE2-O 3.27Å; H83-E137 VanDerWaalsContact NE2-O 3.12Å; H83-L139 HydrophobicContact CB-CD1 4.48Å; H83-L139 HydrophobicContact CB-CD2 4.33Å
84S92.2Very high93.7Very high11 Ų1139.9 Ų39.98%0.07719%0.188CC..SBendtrans-79.744.1177.4-143.20000111.6R43 N104 L105 D106R43-S84 PolarHBondContact NE-OG 3.2Å; R43-S84 PolarHBondContact NH2-OG 3.06Å; S84-N104 WeakPolarHBondContact O-CA 3.4Å; S84-L105 PolarHBondContact O-N 3.2Å; S84-D106 VanDerWaalsContact CB-OD1 3.29Å; S84-D106 WeakPolarHBondContact CB-OD1 3.5Å; S84-D106 WeakPolarHBondContact CB-OD2 3.42Å; S84-D106 PolarHBondContact OG-OD1 2.72Å; S84-D106 PolarHBondContact OG-OD2 3.18Å
85I94.7Very high93.2Very high8 Ų842.2 Ų42.24%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-119.4125.9-173.6-59.1-64.4000107.8Q79 L80 H83 V87 V102 W103 N104 T159Q79-I85 PolarHBondContact NE2-O 3.18Å; L80-I85 HydrophobicContact CD1-CB 3.61Å; L80-I85 HydrophobicContact CD1-CG2 3.69Å; L80-I85 PolarHBondContact N-O 2.98Å; H83-I85 HydrophobicContact CB-CB 4.4Å; H83-I85 HydrophobicContact CB-CG1 4.11Å; H83-I85 PolarHBondContact O-N 2.98Å; I85-V87 HydrophobicContact CG2-CG2 4.36Å; I85-V102 HydrophobicContact CG2-CG1 3.6Å; I85-W103 VanDerWaalsContact CA-O 3.26Å; I85-W103 WeakPolarHBondContact CA-O 3.37Å; I85-N104 HydrophobicContact CD1-CB 3.98Å; I85-T159 HydrophobicContact CD1-CG2 3.96Å; I85-T159 HydrophobicContact CG1-CG2 4.24Å
86L95.9Very high92.8Very high0 Ų044.4 Ų44.40%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7125.6172.2173.465.1000107.9V47 I55 L77 Q79 W103 L105V47-L86 HydrophobicContact CG1-CD1 4.09Å; V47-L86 HydrophobicContact CG1-CD2 3.84Å; I55-L86 HydrophobicContact CD1-CD2 4.16Å; I55-L86 HydrophobicContact CG2-CD2 3.94Å; L77-L86 HydrophobicContact CD2-CD1 4.2Å; L77-L86 HydrophobicContact CD2-CD2 4.46Å; Q79-L86 HydrophobicContact CB-CD1 4.13Å; L86-W103 HydrophobicContact CB-CB 4.24Å; L86-W103 PolarHBondContact N-O 3.42Å; L86-W103 PolarHBondContact O-N 3.42Å; L86-L105 HydrophobicContact CB-CD1 4.28Å; L86-L105 HydrophobicContact CB-CD2 4.15Å; L86-L105 HydrophobicContact CB-CG 4.29Å; L86-L105 HydrophobicContact CD2-CD2 4.38Å
87V96.7Very high92.5Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-102.6132.6170.1-174.40000108L77 F78 I85 V100 V102 L133 V135 M142 I158L77-V87 CarbonylContact C-O 3.54Å; F78-V87 PolarHBondContact N-O 2.93Å; F78-V87 PolarHBondContact O-N 3.09Å; I85-V87 HydrophobicContact CG2-CG2 4.36Å; V87-V100 HydrophobicContact CG1-CG1 3.66Å; V87-V102 HydrophobicContact CG1-CG2 4.48Å; V87-V102 HydrophobicContact CG2-CG1 4.34Å; V87-V102 HydrophobicContact CG2-CG2 4.29Å; V87-L133 HydrophobicContact CB-CD2 4.27Å; V87-L133 HydrophobicContact CG1-CD1 4.38Å; V87-L133 HydrophobicContact CG1-CD2 3.91Å; V87-V135 HydrophobicContact CB-CG2 3.96Å; V87-V135 HydrophobicContact CG1-CG2 4.35Å; V87-V135 HydrophobicContact CG2-CG2 3.77Å; V87-M142 HydrophobicContact CG1-SD 4.15Å; V87-I158 HydrophobicContact CG2-CD1 4.05Å
88S97Very high92.3Very high0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-130.2151.5179.561.70000109.8Y70 H76 V100 K101 W103Y70-S88 WeakPolarHBondContact CE2-OG 3.49Å; Y70-S88 PolarHBondContact OH-O 3.4Å; Y70-S88 PolarHBondContact OH-OG 3.1Å; H76-S88 CarbonylContact O-C 3.55Å; H76-S88 WeakPolarHBondContact O-CA 3.49Å; S88-V100 WeakPolarHBondContact O-CA 3.48Å; S88-K101 PolarHBondContact N-O 2.69Å; S88-K101 PolarHBondContact O-N 2.69Å; S88-K101 PolarHBondContact OG-O 2.87Å; S88-W103 PolarHBondContact OG-NE1 2.9Å
89V96.8Very high92.2Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-122.9132.1169.2-175.70000108.8T75 H76 P98 L99 V100 V130 L133T75-V89 PolarHBondContact N-O 3.3Å; T75-V89 PolarHBondContact OG1-O 3.27Å; H76-V89 HydrophobicContact CB-CB 4.05Å; H76-V89 HydrophobicContact CB-CG2 4.26Å; H76-V89 PolarHBondContact N-O 3.32Å; H76-V89 PolarHBondContact O-N 2.94Å; V89-P98 HydrophobicContact CG1-CB 3.94Å; V89-L99 WeakPolarHBondContact CA-O 3.18Å; V89-V100 HydrophobicContact CG2-CG2 4.27Å; V89-V130 HydrophobicContact CG1-CB 4.2Å; V89-V130 HydrophobicContact CG1-CG1 4.42Å; V89-V130 HydrophobicContact CG1-CG2 4Å; V89-L133 HydrophobicContact CG2-CD2 4.11Å
90G95.1Very high92.3Very high0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-157.1-172.8179.700000112.8Y70 R73 L99Y70-G90 VanDerWaalsContact CE1-CA 3.5Å; Y70-G90 VanDerWaalsContact CZ-N 3.31Å; R73-G90 CarbonylContact O-C 3.57Å; R73-G90 WeakPolarHBondContact O-CA 3.44Å; G90-L99 PolarHBondContact N-O 2.99Å; G90-L99 PolarHBondContact O-N 2.83Å
91Q93.6Very high92.4Very high23 Ų2345.1 Ų45.111%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-124.7128.9-177.3-67177.9-28.300110.4L72 R73L72-Q91 HydrophobicContact CB-CB 4.33Å; L72-Q91 VanDerWaalsContact CB-O 3.3Å; L72-Q91 WeakPolarHBondContact CB-O 3.1Å; L72-Q91 HydrophobicContact CD1-CB 4.38Å; L72-Q91 PolarHBondContact N-O 3.1Å; R73-Q91 HydrophobicContact CG-CB 4.43Å; R73-Q91 VanDerWaalsContact NH2-OE1 3.17Å; R73-Q91 PolarHBondContact O-N 3.35Å
92D91.6Very high92.7Very high31 Ų3138.7 Ų38.717%0.16620%0.2CC..SBendtrans-101.2-18.2172.6-76.7-23.6000112.6Y70 K71 L99 K101Y70-D92 WeakPolarHBondContact CA-OD1 3.32Å; Y70-D92 WeakPolarHBondContact CB-OD1 3.48Å; K71-D92 HydrophobicContact CB-CB 4.46Å; K71-D92 HydrophobicContact CD-CB 4.32Å; K71-D92 HydrophobicContact CG-CB 4.36Å; K71-D92 PolarHBondContact N-OD1 3.47Å; D92-L99 HydrophobicContact CB-CD1 3.86Å; D92-L99 WeakPolarHBondContact OD2-CD1 3.39Å; D92-K101 IonicContact OD1-NZ 2.79Å; D92-K101 IonicContact OD2-NZ 3.95Å; D92-K101 PolarHBondContact OD2-NZ 3.06Å
93E90.3Very high92.9Very high122 Ų12233 Ų3357%0.5717%0.173SC*.SBendtrans-134155.1-175.6-64.2-178.9171.500110.9L72L72-E93 VanDerWaalsContact CD1-O 3.28Å; L72-E93 WeakPolarHBondContact CD1-O 3.47Å
94H85.9Confident93Very high174 Ų17431 Ų3181%0.80617%0.165SC*.SBendtrans-73.6136.6178.6-67.859.7000109.7
95G86.7Confident92.9Very high49 Ų4931.6 Ų31.651%0.50517%0.167SC..SBendtrans113.9-178-173.700000112.4N97G95-N97 PolarHBondContact O-N 2.9Å
96I86.3Confident92.7Very high79 Ų7936.2 Ų36.241%0.40519%0.192SC..SBendtrans-89.689.4179-57.7173.4000107.8P127 A128 E129I96-P127 HydrophobicContact CB-CB 4.35Å; I96-P127 HydrophobicContact CG2-CB 4.07Å; I96-P127 WeakPolarHBondContact O-CB 2.93Å; I96-A128 VanDerWaalsContact CG2-C 3.47Å; I96-E129 HydrophobicContact CD1-CG 4.12Å; I96-E129 HydrophobicContact CG1-CG 4.09Å; I96-E129 HydrophobicContact CG2-CG 3.95Å
97N89.6Confident92.4Very high59 Ų5942.1 Ų42.132%0.31622%0.218SC..  trans-143.873.9172.9-171.318.9000110.3G95 L99G95-N97 PolarHBondContact O-N 2.9Å; N97-L99 PolarHBondContact O-N 2.87Å
98P91.7Very high91.9Very high6 Ų650.6 Ų50.64%0.03925%0.249CC..  trans-69.2131-177.329.1-34.1000110.8V89 A121 V130V89-P98 HydrophobicContact CG1-CB 3.94Å; P98-A121 HydrophobicContact CB-CB 4.36Å; P98-A121 HydrophobicContact CG-CB 4.1Å; P98-A121 VanDerWaalsContact CG-O 3.29Å; P98-A121 WeakPolarHBondContact CG-O 3.49Å; P98-A121 PolarHBondContact O-N 3.5Å; P98-V130 HydrophobicContact CB-CG2 3.82Å; P98-V130 HydrophobicContact CG-CG2 3.87Å
99L94.4Very high91.2Very high30 Ų3055.2 Ų55.216%0.15727%0.274CS..EExtended strand (participates in β ladder)trans-107.5135.1176.9-69.4173.4000109.9Y70 V89 G90 D92 N97 P120Y70-L99 HydrophobicContact CE1-CB 4.06Å; Y70-L99 PolarHBondContact OH-O 2.82Å; V89-L99 WeakPolarHBondContact CA-O 3.18Å; G90-L99 PolarHBondContact N-O 2.99Å; G90-L99 PolarHBondContact O-N 2.83Å; D92-L99 HydrophobicContact CB-CD1 3.86Å; D92-L99 WeakPolarHBondContact OD2-CD1 3.39Å; N97-L99 PolarHBondContact O-N 2.87Å; L99-P120 HydrophobicContact CD2-CB 4.27Å
100V95.4Very high90.4Very high0 Ų060.7 Ų60.70%031%0.312CS..EExtended strand (participates in β ladder)trans-96.6127.9170.8-169.60000108.6V87 S88 V89 I118 F119 A121 M142 I144V87-V100 HydrophobicContact CG1-CG1 3.66Å; S88-V100 WeakPolarHBondContact O-CA 3.48Å; V89-V100 HydrophobicContact CG2-CG2 4.27Å; V100-I118 WeakPolarHBondContact O-CA 3.48Å; V100-F119 HydrophobicContact CB-CD1 4.44Å; V100-F119 HydrophobicContact CB-CD2 4.27Å; V100-F119 HydrophobicContact CB-CE1 3.97Å; V100-F119 HydrophobicContact CB-CE2 3.78Å; V100-F119 HydrophobicContact CB-CZ 3.59Å; V100-F119 HydrophobicContact CG1-CE1 4.01Å; V100-F119 HydrophobicContact CG1-CE2 4.24Å; V100-F119 HydrophobicContact CG1-CZ 3.62Å; V100-F119 HydrophobicContact CG2-CD2 4.31Å; V100-F119 HydrophobicContact CG2-CE2 3.73Å; V100-F119 HydrophobicContact CG2-CZ 3.99Å; V100-F119 PolarHBondContact N-O 2.77Å; V100-F119 PolarHBondContact O-N 3.26Å; V100-F119 VanDerWaalsContact O-N 3.11Å; V100-A121 HydrophobicContact CG2-CB 3.65Å; V100-M142 HydrophobicContact CG1-SD 4.24Å; V100-I144 HydrophobicContact CG2-CD1 3.74Å
101K95.6Very high89.6Confident17 Ų1762.9 Ų62.97%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-121.1128.5172.5-61-176.8-176.81720109.9A69 Y70 S88 D92 W103 R117 I118A69-K101 WeakPolarHBondContact O-CD 3.44Å; A69-K101 PolarHBondContact O-NZ 2.76Å; Y70-K101 HydrophobicContact CD1-CD 4.23Å; Y70-K101 HydrophobicContact CE1-CD 3.66Å; Y70-K101 HydrophobicContact CE1-CG 3.86Å; Y70-K101 HydrophobicContact CE2-CD 4.43Å; Y70-K101 WeakPolarHBondContact OH-CB 3.18Å; Y70-K101 WeakPolarHBondContact OH-CG 3.4Å; Y70-K101 PolarHBondContact OH-N 3.37Å; S88-K101 PolarHBondContact N-O 2.69Å; S88-K101 PolarHBondContact O-N 2.69Å; S88-K101 PolarHBondContact OG-O 2.87Å; D92-K101 IonicContact OD1-NZ 2.79Å; D92-K101 IonicContact OD2-NZ 3.95Å; D92-K101 PolarHBondContact OD2-NZ 3.06Å; K101-W103 HydrophobicContact CB-CZ2 3.8Å; K101-W103 HydrophobicContact CD-CH2 4.22Å; K101-W103 HydrophobicContact CD-CZ2 3.59Å; K101-W103 HydrophobicContact CG-CZ2 4.3Å; K101-R117 WeakPolarHBondContact CA-O 3.45Å; K101-I118 HydrophobicContact CD-CD1 4.43Å; K101-I118 HydrophobicContact CG-CD1 4.49Å; K101-I118 HydrophobicContact CG-CG1 4.07Å; K101-I118 HydrophobicContact CG-CG2 4.1Å
102V95.3Very high89.3Confident0 Ų065.3 Ų65.30%035%0.349CS..EExtended strand (participates in β ladder)trans-105.4112.2178.5-175.30000108.9I85 V87 C115 T116 R117 F119 T159I85-V102 HydrophobicContact CG2-CG1 3.6Å; V87-V102 HydrophobicContact CG1-CG2 4.48Å; V87-V102 HydrophobicContact CG2-CG1 4.34Å; V87-V102 HydrophobicContact CG2-CG2 4.29Å; V102-C115 CarbonylContact O-C 3.6Å; V102-T116 WeakPolarHBondContact CG1-OG1 3.43Å; V102-T116 PolarHBondContact O-N 2.77Å; V102-T116 PolarHBondContact O-OG1 2.93Å; V102-R117 HydrophobicContact CB-CB 4.11Å; V102-R117 HydrophobicContact CG2-CB 4.21Å; V102-R117 PolarHBondContact N-O 2.98Å; V102-R117 PolarHBondContact O-N 2.75Å; V102-F119 HydrophobicContact CG2-CE1 4.4Å; V102-T159 HydrophobicContact CG1-CG2 4.36Å
103W94.9Very high89.3Confident18 Ų1864.4 Ų64.47%0.06835%0.345CS..EExtended strand (participates in β ladder)trans-104136-174.3-52.592.3000110.7F67 A69 I85 L86 S88 K101 L105 P113 L114 C115F67-W103 HydrophobicContact CD2-CH2 4.42Å; F67-W103 HydrophobicContact CD2-CZ3 4.29Å; F67-W103 AromaticContact CE2-CD2 3.93Å; F67-W103 HydrophobicContact CE2-CD2 3.93Å; F67-W103 AromaticContact CE2-CE3 3.83Å; F67-W103 HydrophobicContact CE2-CE3 3.83Å; F67-W103 AromaticContact CE2-CH2 3.93Å; F67-W103 HydrophobicContact CE2-CH2 3.93Å; F67-W103 HydrophobicContact CE2-CZ2 4.03Å; F67-W103 AromaticContact CE2-CZ3 3.81Å; F67-W103 HydrophobicContact CE2-CZ3 3.81Å; F67-W103 HydrophobicContact CZ-CD2 4.31Å; F67-W103 HydrophobicContact CZ-CE3 4.46Å; A69-W103 HydrophobicContact CB-CH2 4.33Å; A69-W103 HydrophobicContact CB-CZ2 3.71Å; I85-W103 VanDerWaalsContact CA-O 3.26Å; I85-W103 WeakPolarHBondContact CA-O 3.37Å; L86-W103 HydrophobicContact CB-CB 4.24Å; L86-W103 PolarHBondContact N-O 3.42Å; L86-W103 PolarHBondContact O-N 3.42Å; S88-W103 PolarHBondContact OG-NE1 2.9Å; K101-W103 HydrophobicContact CB-CZ2 3.8Å; K101-W103 HydrophobicContact CD-CH2 4.22Å; K101-W103 HydrophobicContact CD-CZ2 3.59Å; K101-W103 HydrophobicContact CG-CZ2 4.3Å; W103-L105 HydrophobicContact CB-CD2 4.4Å; W103-P113 HydrophobicContact CE3-CB 4.36Å; W103-L114 CarbonylContact C-O 3.59Å; W103-L114 WeakPolarHBondContact CA-O 3.35Å; W103-C115 HydrophobicContact CD2-CB 4.34Å; W103-C115 HydrophobicContact CE3-CB 3.66Å; W103-C115 HydrophobicContact CH2-CB 4.1Å; W103-C115 HydrophobicContact CZ3-CB 3.54Å
104N93.4Very high89.4Confident25 Ų2561.2 Ų61.213%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-99115.2165.7-174.3-48000108.6S84 I85 D106 K107 L114 T116S84-N104 WeakPolarHBondContact O-CA 3.4Å; I85-N104 HydrophobicContact CD1-CB 3.98Å; N104-D106 PolarHBondContact OD1-N 2.84Å; N104-D106 VanDerWaalsContact OD1-N 3.07Å; N104-K107 HydrophobicContact CB-CB 4.43Å; N104-K107 PolarHBondContact OD1-N 3.14Å; N104-K107 VanDerWaalsContact OD1-N 3.09Å; N104-L114 PolarHBondContact N-O 2.85Å; N104-L114 PolarHBondContact O-N 3.28Å; N104-T116 HydrophobicContact CB-CG2 3.83Å
105L90.8Very high89.8Confident22 Ų2254.8 Ų54.812%0.11531%0.305CS..EExtended strand (participates in β ladder)trans-79.1-23.4-173.9-56.5-178.9000113L57 S84 L86 W103 P113L57-L105 HydrophobicContact CD1-CD2 4.22Å; L57-L105 HydrophobicContact CD2-CD1 4.41Å; S84-L105 PolarHBondContact O-N 3.2Å; L86-L105 HydrophobicContact CB-CD1 4.28Å; L86-L105 HydrophobicContact CB-CD2 4.15Å; L86-L105 HydrophobicContact CB-CG 4.29Å; L86-L105 HydrophobicContact CD2-CD2 4.38Å; W103-L105 HydrophobicContact CB-CD2 4.4Å; L105-P113 HydrophobicContact CD2-CB 3.91Å; L105-P113 HydrophobicContact CD2-CG 3.99Å
106D89.2Confident90Very high106 Ų10654.8 Ų54.857%0.56730%0.296SS*.EExtended strand (participates in β ladder)trans-76.7-33.9178.3-66-16.9000111.4R43 S84 N104R43-D106 IonicContact CZ-OD2 3.19Å; R43-D106 IonicContact NH2-OD1 2.7Å; R43-D106 PolarHBondContact NH2-OD1 3.11Å; R43-D106 IonicContact NH2-OD2 3.92Å; R43-D106 PolarHBondContact NH2-OD2 2.9Å; S84-D106 VanDerWaalsContact CB-OD1 3.29Å; S84-D106 WeakPolarHBondContact CB-OD1 3.5Å; S84-D106 WeakPolarHBondContact CB-OD2 3.42Å; S84-D106 PolarHBondContact OG-OD1 2.72Å; S84-D106 PolarHBondContact OG-OD2 3.18Å; N104-D106 PolarHBondContact OD1-N 2.84Å; N104-D106 VanDerWaalsContact OD1-N 3.07Å
107K89.3Confident90.2Very high124 Ų12452 Ų5254%0.53928%0.28SS..EExtended strand (participates in β ladder)trans-91.3130.1179.2-65.7-176.7-179.1-177.10109.7N104 L114N104-K107 HydrophobicContact CB-CB 4.43Å; N104-K107 PolarHBondContact OD1-N 3.14Å; N104-K107 VanDerWaalsContact OD1-N 3.09Å; K107-L114 HydrophobicContact CB-CB 3.8Å; K107-L114 HydrophobicContact CB-CD2 3.86Å; K107-L114 HydrophobicContact CD-CD2 3.8Å; K107-L114 HydrophobicContact CG-CD2 4.49Å; K107-L114 WeakPolarHBondContact O-CB 3.43Å; K107-L114 PolarHBondContact O-N 3.07Å
108R87.1Confident90.3Very high178 Ų17853.9 Ų53.967%0.67229%0.289SS*.EExtended strand (participates in β ladder)trans-110.1139.1176.3-65.4-172.7178.6-125.44.5111.4G111 N112R108-G111 PolarHBondContact NH1-O 2.87Å; R108-N112 CarbonylContact C-O 3.09Å; R108-N112 WeakPolarHBondContact CA-O 3.37Å
109D81.8Confident90.3Very high96 Ų9654.8 Ų54.851%0.51329%0.293SS..EExtended strand (participates in β ladder)trans-120119.8166.9-175.96.7000108.2G111 N112 L114D109-G111 PolarHBondContact O-N 2.96Å; D109-G111 VanDerWaalsContact O-N 3.07Å; D109-N112 PolarHBondContact N-O 2.94Å; D109-N112 PolarHBondContact O-N 3.2Å; D109-L114 HydrophobicContact CB-CD1 4.08Å
110S80.4Confident90.2Very high115 Ų11557 Ų5780%0.80431%0.309SS*.THydrogen-bonded Turntrans52.434.3179.2-55.40000114.3N112S110-N112 VanDerWaalsContact C-N 3.34Å; S110-N112 PolarHBondContact O-N 3.12Å
111G78.6Confident89.9Confident46 Ų4657.1 Ų57.147%0.47431%0.31SS..THydrogen-bonded Turntrans90.8-19.5-179.500000115.3R108 D109R108-G111 PolarHBondContact NH1-O 2.87Å; D109-G111 PolarHBondContact O-N 2.96Å; D109-G111 VanDerWaalsContact O-N 3.07Å
112N87.6Confident89.5Confident75 Ų7558.1 Ų58.140%0.40132%0.317SS..EExtended strand (participates in β ladder)trans-93.8159.4179.1-65.4-33.5000111.9F67 R108 D109 S110F67-N112 HydrophobicContact CB-CB 4.36Å; F67-N112 WeakPolarHBondContact CB-OD1 3.31Å; R108-N112 CarbonylContact C-O 3.09Å; R108-N112 WeakPolarHBondContact CA-O 3.37Å; D109-N112 PolarHBondContact N-O 2.94Å; D109-N112 PolarHBondContact O-N 3.2Å; S110-N112 VanDerWaalsContact C-N 3.34Å; S110-N112 PolarHBondContact O-N 3.12Å
113P91.3Very high89.1Confident12 Ų1258.2 Ų58.28%0.07832%0.317CS..EExtended strand (participates in β ladder)trans-57.4140.4169.9-26.137.4000112.6F67 W103 L105 C115F67-P113 HydrophobicContact CD1-CG 3.84Å; F67-P113 HydrophobicContact CE1-CG 3.67Å; F67-P113 HydrophobicContact CE2-CG 4.37Å; F67-P113 HydrophobicContact CG-CG 4.28Å; F67-P113 HydrophobicContact CZ-CB 4.44Å; F67-P113 HydrophobicContact CZ-CG 3.94Å; W103-P113 HydrophobicContact CE3-CB 4.36Å; L105-P113 HydrophobicContact CD2-CB 3.91Å; L105-P113 HydrophobicContact CD2-CG 3.99Å; P113-C115 PolarHBondContact O-N 3.47Å
114L93.1Very high88.4Confident54 Ų5461 Ų6128%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-70.5117.3-179.117668.6000110.5W103 N104 K107 D109 T116W103-L114 CarbonylContact C-O 3.59Å; W103-L114 WeakPolarHBondContact CA-O 3.35Å; N104-L114 PolarHBondContact N-O 2.85Å; N104-L114 PolarHBondContact O-N 3.28Å; K107-L114 HydrophobicContact CB-CB 3.8Å; K107-L114 HydrophobicContact CB-CD2 3.86Å; K107-L114 HydrophobicContact CD-CD2 3.8Å; K107-L114 HydrophobicContact CG-CD2 4.49Å; K107-L114 WeakPolarHBondContact O-CB 3.43Å; K107-L114 PolarHBondContact O-N 3.07Å; D109-L114 HydrophobicContact CB-CD1 4.08Å; L114-T116 HydrophobicContact CD2-CG2 4.29Å; L114-T116 HydrophobicContact CG-CG2 4.38Å; L114-T116 PolarHBondContact O-N 2.85Å
115C92.6Very high87.8Confident40 Ų4067.2 Ų67.227%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-76.7103.9170.1-167.50000110V102 W103 P113 I118V102-C115 CarbonylContact O-C 3.6Å; W103-C115 HydrophobicContact CD2-CB 4.34Å; W103-C115 HydrophobicContact CE3-CB 3.66Å; W103-C115 HydrophobicContact CH2-CB 4.1Å; W103-C115 HydrophobicContact CZ3-CB 3.54Å; P113-C115 PolarHBondContact O-N 3.47Å; C115-I118 WeakPolarHBondContact SG-CG1 3.17Å
116T90.9Very high87.6Confident49 Ų4973.3 Ų73.330%0.30139%0.393SS..EExtended strand (participates in β ladder)trans-76.7-31.9-177.557.30000113.2V102 N104 L114V102-T116 WeakPolarHBondContact CG1-OG1 3.43Å; V102-T116 PolarHBondContact O-N 2.77Å; V102-T116 PolarHBondContact O-OG1 2.93Å; N104-T116 HydrophobicContact CB-CG2 3.83Å; L114-T116 HydrophobicContact CD2-CG2 4.29Å; L114-T116 HydrophobicContact CG-CG2 4.38Å; L114-T116 PolarHBondContact O-N 2.85Å
117R90.7Very high87.5Confident20 Ų2072.2 Ų72.28%0.07539%0.391CS..EExtended strand (participates in β ladder)trans-152.1142.9-175.8-160.2-173.9172.8-169.30111.6K101 V102 F119 I158 D161 S164K101-R117 WeakPolarHBondContact CA-O 3.45Å; V102-R117 HydrophobicContact CB-CB 4.11Å; V102-R117 HydrophobicContact CG2-CB 4.21Å; V102-R117 PolarHBondContact N-O 2.98Å; V102-R117 PolarHBondContact O-N 2.75Å; R117-F119 HydrophobicContact CG-CD1 3.95Å; R117-F119 HydrophobicContact CG-CE1 4.3Å; R117-I158 VanDerWaalsContact CD-O 3.25Å; R117-I158 WeakPolarHBondContact CD-O 3.22Å; R117-D161 IonicContact CZ-OD1 3.14Å; R117-D161 IonicContact NE-OD1 2.68Å; R117-D161 PolarHBondContact NE-OD1 2.83Å; R117-D161 IonicContact NH2-OD1 3.84Å; R117-D161 PolarHBondContact NH2-OD1 2.87Å; R117-S164 PolarHBondContact NH1-OG 3.39Å; R117-S164 PolarHBondContact NH2-OG 3.11Å
118I92.8Very high87.5Confident99 Ų9966.7 Ų66.751%0.50837%0.369SS..EExtended strand (participates in β ladder)trans-136.1130.9174.7-51.4-179.2000108.1V100 K101 C115V100-I118 WeakPolarHBondContact O-CA 3.48Å; K101-I118 HydrophobicContact CD-CD1 4.43Å; K101-I118 HydrophobicContact CG-CD1 4.49Å; K101-I118 HydrophobicContact CG-CG1 4.07Å; K101-I118 HydrophobicContact CG-CG2 4.1Å; C115-I118 WeakPolarHBondContact SG-CG1 3.17Å
119F91.4Very high87.8Confident25 Ų2562.2 Ų62.211%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-157.6155.2174.457.9-82.8000111.2V100 V102 R117 M142V100-F119 HydrophobicContact CB-CD1 4.44Å; V100-F119 HydrophobicContact CB-CD2 4.27Å; V100-F119 HydrophobicContact CB-CE1 3.97Å; V100-F119 HydrophobicContact CB-CE2 3.78Å; V100-F119 HydrophobicContact CB-CZ 3.59Å; V100-F119 HydrophobicContact CG1-CE1 4.01Å; V100-F119 HydrophobicContact CG1-CE2 4.24Å; V100-F119 HydrophobicContact CG1-CZ 3.62Å; V100-F119 HydrophobicContact CG2-CD2 4.31Å; V100-F119 HydrophobicContact CG2-CE2 3.73Å; V100-F119 HydrophobicContact CG2-CZ 3.99Å; V100-F119 PolarHBondContact N-O 2.77Å; V100-F119 PolarHBondContact O-N 3.26Å; V100-F119 VanDerWaalsContact O-N 3.11Å; V102-F119 HydrophobicContact CG2-CE1 4.4Å; R117-F119 HydrophobicContact CG-CD1 3.95Å; R117-F119 HydrophobicContact CG-CE1 4.3Å; F119-M142 HydrophobicContact CE2-CE 3.78Å; F119-M142 HydrophobicContact CZ-CE 3.36Å; F119-M142 HydrophobicContact CZ-SD 4.17Å
120P91.3Very high88.4Confident76 Ų7658.4 Ų58.449%0.49434%0.336SS..EExtended strand (participates in β ladder)trans-74.7138.1177.230.6-35.1000112.1L99 V122L99-P120 HydrophobicContact CD2-CB 4.27Å; P120-V122 HydrophobicContact CB-CG2 4.05Å; P120-V122 PolarHBondContact O-N 2.8Å
121A89.6Confident89.1Confident3 Ų353.6 Ų53.63%0.02530%0.302CS..  trans-9180.5172.400000110P98 V100 V130 I144 F146P98-A121 HydrophobicContact CB-CB 4.36Å; P98-A121 HydrophobicContact CG-CB 4.1Å; P98-A121 VanDerWaalsContact CG-O 3.29Å; P98-A121 WeakPolarHBondContact CG-O 3.49Å; P98-A121 PolarHBondContact O-N 3.5Å; V100-A121 HydrophobicContact CG2-CB 3.65Å; A121-V130 HydrophobicContact CB-CG2 3.95Å; A121-I144 HydrophobicContact CB-CD1 3.98Å; A121-I144 HydrophobicContact CB-CG2 4.41Å; A121-F146 HydrophobicContact CB-CE1 4.34Å; A121-F146 HydrophobicContact CB-CZ 4.08Å; A121-F146 WeakPolarHBondContact O-CE1 3.34Å; A121-F146 WeakPolarHBondContact O-CZ 3.28Å
122V87.4Confident89.8Confident38 Ų3852.1 Ų52.123%0.2329%0.285CS..  trans-122.3117.6-176.4-179.60000110.3P120 K126P120-V122 HydrophobicContact CB-CG2 4.05Å; P120-V122 PolarHBondContact O-N 2.8Å; V122-K126 VanDerWaalsContact CG1-C 3.49Å; V122-K126 WeakPolarHBondContact CG1-O 3.08Å
123P86.8Confident90.2Very high1 Ų149.4 Ų49.41%0.00627%0.27CS..G310 helixtrans-74.4127174.929.5-32.1000110.3N125 K126 A128 F146 V152P123-N125 PolarHBondContact O-N 2.91Å; P123-K126 VanDerWaalsContact CD-O 3.25Å; P123-K126 WeakPolarHBondContact CD-O 3.45Å; P123-K126 PolarHBondContact O-N 3.46Å; P123-K126 VanDerWaalsContact O-O 3.11Å; P123-A128 HydrophobicContact CG-CB 3.81Å; P123-F146 HydrophobicContact CB-CD2 4.09Å; P123-F146 HydrophobicContact CB-CE2 4.13Å; P123-F146 HydrophobicContact CG-CD1 4.03Å; P123-F146 HydrophobicContact CG-CD2 3.97Å; P123-F146 HydrophobicContact CG-CE1 4.2Å; P123-F146 HydrophobicContact CG-CE2 4.16Å; P123-F146 HydrophobicContact CG-CG 3.91Å; P123-F146 HydrophobicContact CG-CZ 4.26Å; P123-V152 HydrophobicContact CB-CG2 3.88Å
124N80.9Confident90.4Very high76 Ų7649.1 Ų49.141%0.40627%0.268SS..G310 helixtrans48.136.5174.8-64.9-27.7000115.7K126 T168 E171N124-K126 PolarHBondContact O-N 3.17Å; N124-K126 VanDerWaalsContact O-N 3.14Å; N124-T168 WeakPolarHBondContact OD1-CB 3.36Å; N124-T168 PolarHBondContact OD1-OG1 3.06Å; N124-E171 PolarHBondContact ND2-OE1 2.8Å
125N80.8Confident90.5Very high156 Ų15646.8 Ų46.883%0.83426%0.256SS*.G310 helixtrans58.717.2-174.7-59-26.7000115P123P123-N125 PolarHBondContact O-N 2.91Å
126K85.8Confident90.6Very high150 Ų15045.5 Ų45.565%0.65225%0.246SC*.  trans-107.8120.4172.2-69.6-177.7-177.8175.50109.5V122 P123 N124 A128V122-K126 VanDerWaalsContact CG1-C 3.49Å; V122-K126 WeakPolarHBondContact CG1-O 3.08Å; P123-K126 VanDerWaalsContact CD-O 3.25Å; P123-K126 WeakPolarHBondContact CD-O 3.45Å; P123-K126 PolarHBondContact O-N 3.46Å; P123-K126 VanDerWaalsContact O-O 3.11Å; N124-K126 PolarHBondContact O-N 3.17Å; N124-K126 VanDerWaalsContact O-N 3.14Å; K126-A128 PolarHBondContact O-N 2.8Å
127P86.5Confident90.6Very high83 Ų8345.1 Ų45.154%0.53924%0.241SC..  trans-67.5123.2180-1224.5000111.2I96I96-P127 HydrophobicContact CB-CB 4.35Å; I96-P127 HydrophobicContact CG2-CB 4.07Å; I96-P127 WeakPolarHBondContact O-CB 2.93Å
128A91.2Very high90.6Very high9 Ų946.3 Ų46.37%0.07425%0.249CC..  trans-133151.9175.200000109.4I96 P123 K126 F146 D148I96-A128 VanDerWaalsContact CG2-C 3.47Å; P123-A128 HydrophobicContact CG-CB 3.81Å; K126-A128 PolarHBondContact O-N 2.8Å; A128-F146 HydrophobicContact CB-CB 4.15Å; A128-F146 HydrophobicContact CB-CD1 3.84Å; A128-F146 HydrophobicContact CB-CG 4.27Å; A128-D148 HydrophobicContact CB-CB 4.35Å
129E91.8Very high90.6Very high84 Ų8442.8 Ų42.839%0.39323%0.231SC..  trans-74.7134.4177.3-64.5-166.3149.700110.7I96 F146 T147I96-E129 HydrophobicContact CD1-CG 4.12Å; I96-E129 HydrophobicContact CG1-CG 4.09Å; I96-E129 HydrophobicContact CG2-CG 3.95Å; E129-F146 WeakPolarHBondContact O-CA 3.36Å; E129-T147 HydrophobicContact CB-CG2 4.09Å; E129-T147 PolarHBondContact O-N 3.03Å; E129-T147 PolarHBondContact O-OG1 2.95Å
130V95.1Very high90.6Very high16 Ų1645.1 Ų45.110%0.09724%0.244CC..EExtended strand (participates in β ladder)trans-69.1135.3172.8176.90000108.7H76 V89 P98 A121 I144 F146H76-V130 PolarHBondContact CE1-O 3.19Å; V89-V130 HydrophobicContact CG1-CB 4.2Å; V89-V130 HydrophobicContact CG1-CG1 4.42Å; V89-V130 HydrophobicContact CG1-CG2 4Å; P98-V130 HydrophobicContact CB-CG2 3.82Å; P98-V130 HydrophobicContact CG-CG2 3.87Å; A121-V130 HydrophobicContact CB-CG2 3.95Å; V130-I144 HydrophobicContact CB-CG2 4.34Å; V130-I144 HydrophobicContact CG1-CG2 3.72Å; V130-I144 HydrophobicContact CG2-CG2 3.72Å; V130-F146 HydrophobicContact CG2-CD1 4.1Å; V130-F146 HydrophobicContact CG2-CE1 3.55Å; V130-F146 HydrophobicContact CG2-CZ 4.18Å
131S94.8Very high90.7Very high14 Ų1442.4 Ų42.410%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-113.4-30.1-177.756.10000112.8H76 G145 F146 V176H76-S131 VanDerWaalsContact NE2-C 3.27Å; H76-S131 PolarHBondContact NE2-O 3.39Å; S131-G145 PolarHBondContact N-O 2.95Å; S131-G145 PolarHBondContact OG-O 3Å; S131-F146 WeakPolarHBondContact OG-CA 3.49Å; S131-F146 PolarHBondContact OG-N 2.93Å; S131-V176 WeakPolarHBondContact CB-O 3.41Å; S131-V176 PolarHBondContact OG-O 2.94Å
132C94.3Very high91Very high15 Ų1542.2 Ų42.210%0.10122%0.224CC..EExtended strand (participates in β ladder)trans-157.4154177.850.90000110.7G145 V176C132-G145 PolarHBondContact N-O 2.86Å; C132-G145 PolarHBondContact O-N 3.23Å; C132-V176 VanDerWaalsContact SG-CG1 3.55Å
133L95.6Very high91.4Very high18 Ų1840.4 Ų40.49%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-133.2136.3-179.4172.369.3000108.5H76 F78 V87 V89 V135 M142 I144H76-L133 HydrophobicContact CB-CB 4.24Å; H76-L133 HydrophobicContact CB-CD2 4.47Å; F78-L133 HydrophobicContact CB-CD2 3.61Å; F78-L133 HydrophobicContact CB-CG 4.04Å; V87-L133 HydrophobicContact CB-CD2 4.27Å; V87-L133 HydrophobicContact CG1-CD1 4.38Å; V87-L133 HydrophobicContact CG1-CD2 3.91Å; V89-L133 HydrophobicContact CG2-CD2 4.11Å; L133-V135 HydrophobicContact CD1-CG2 4.46Å; L133-M142 HydrophobicContact CD1-CG 4.08Å; L133-M142 HydrophobicContact CD1-SD 4.31Å; L133-I144 HydrophobicContact CD1-CG1 3.93Å
134S95.7Very high91.8Very high6 Ų640.5 Ų40.54%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-138.9141.2170.1-164.10000110.1M142 A143 L179 F181S134-M142 WeakPolarHBondContact O-CA 3.17Å; S134-A143 PolarHBondContact N-O 2.99Å; S134-A143 PolarHBondContact O-N 3.1Å; S134-L179 WeakPolarHBondContact CB-O 3.46Å; S134-L179 PolarHBondContact OG-O 3.2Å; S134-F181 WeakPolarHBondContact O-CE2 3.35Å
135V95.3Very high92.5Very high5 Ų536.9 Ų36.93%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-128.3134.6177.5-170.30000108.8F78 L80 V87 L133 M142 I158F78-V135 HydrophobicContact CB-CG2 4.07Å; F78-V135 HydrophobicContact CD1-CB 3.53Å; F78-V135 HydrophobicContact CD1-CG2 3.63Å; F78-V135 HydrophobicContact CE1-CB 3.67Å; F78-V135 HydrophobicContact CE1-CG2 4.25Å; F78-V135 WeakPolarHBondContact CE1-O 3.47Å; F78-V135 HydrophobicContact CG-CB 4.22Å; F78-V135 HydrophobicContact CG-CG2 3.88Å; F78-V135 HydrophobicContact CZ-CB 4.44Å; F78-V135 WeakPolarHBondContact CZ-O 3.5Å; L80-V135 HydrophobicContact CD1-CG1 4.11Å; L80-V135 HydrophobicContact CD2-CB 4.46Å; L80-V135 HydrophobicContact CD2-CG1 4.1Å; L80-V135 HydrophobicContact CG-CG1 4.39Å; V87-V135 HydrophobicContact CB-CG2 3.96Å; V87-V135 HydrophobicContact CG1-CG2 4.35Å; V87-V135 HydrophobicContact CG2-CG2 3.77Å; L133-V135 HydrophobicContact CD1-CG2 4.46Å; V135-M142 HydrophobicContact CG2-CG 4.1Å; V135-I158 HydrophobicContact CG1-CD1 3.48Å; V135-I158 VanDerWaalsContact CG1-CD1 3.48Å
136H94.1Very high93.3Very high12 Ų1229.5 Ų29.56%0.05615%0.154CC..  trans-79.1137.9176.4-165.3-48.1000110.8N138 L139 F141 F181 Q183 T188H136-N138 PolarHBondContact CE1-ND2 2.94Å; H136-N138 PolarHBondContact ND1-N 3.41Å; H136-N138 VanDerWaalsContact ND1-N 3.11Å; H136-N138 PolarHBondContact ND1-ND2 3.05Å; H136-N138 PolarHBondContact ND1-OD1 2.85Å; H136-N138 PolarHBondContact O-N 2.94Å; H136-L139 PolarHBondContact O-N 3.14Å; H136-F141 HydrophobicContact CB-CB 3.95Å; H136-F141 WeakPolarHBondContact CB-O 3.23Å; H136-F141 PolarHBondContact N-O 2.87Å; H136-F181 HydrophobicContact CB-CB 4.26Å; H136-F181 HydrophobicContact CB-CD1 4.34Å; H136-F181 HydrophobicContact CB-CD2 3.97Å; H136-F181 HydrophobicContact CB-CE2 4.38Å; H136-F181 HydrophobicContact CB-CG 3.94Å; H136-F181 AromaticContact CD2-CD1 3.93Å; H136-F181 AromaticContact CD2-CG 3.9Å; H136-Q183 PolarHBondContact CE1-OE1 2.77Å; H136-Q183 PolarHBondContact NE2-OE1 2.81Å; H136-T188 VanDerWaalsContact CD2-CG2 3.48Å; H136-T188 WeakPolarHBondContact CD2-CG2 3.28Å
137E91.3Very high93.7Very high41 Ų4125.2 Ų25.219%0.19214%0.14CC..THydrogen-bonded Turntrans-56.2-19177.1-68.6-69169.300114.8K81 Q82 H83 L139K81-E137 WeakPolarHBondContact CB-OE1 3.42Å; K81-E137 PolarHBondContact N-OE1 3.17Å; K81-E137 PolarHBondContact N-OE2 2.92Å; Q82-E137 WeakPolarHBondContact CB-OE2 3.29Å; Q82-E137 PolarHBondContact N-OE2 2.84Å; H83-E137 PolarHBondContact CD2-O 3.32Å; H83-E137 PolarHBondContact NE2-O 3.27Å; H83-E137 VanDerWaalsContact NE2-O 3.12Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 3Å
138N90.9Very high93.9Very high46 Ų4624 Ų2425%0.24613%0.13CC..THydrogen-bonded Turntrans-85.82.8178.168.114.3000113.2H136 N140H136-N138 PolarHBondContact CE1-ND2 2.94Å; H136-N138 PolarHBondContact ND1-N 3.41Å; H136-N138 VanDerWaalsContact ND1-N 3.11Å; H136-N138 PolarHBondContact ND1-ND2 3.05Å; H136-N138 PolarHBondContact ND1-OD1 2.85Å; H136-N138 PolarHBondContact O-N 2.94Å; N138-N140 PolarHBondContact O-N 3.19Å; N138-N140 PolarHBondContact O-ND2 2.79Å; N138-N140 WeakPolarHBondContact OD1-CB 3.24Å; N138-N140 PolarHBondContact OD1-N 3.02Å
139L91.3Very high94Very high25 Ų2523.6 Ų23.613%0.13113%0.126CC..SBendtrans60.37.3-178.3-52.3176.1000115.3L80 H83 H136 E137 G156 D157 I158L80-L139 HydrophobicContact CD1-CD2 3.48Å; L80-L139 VanDerWaalsContact CD1-CD2 3.48Å; L80-L139 HydrophobicContact CD2-CD2 4.21Å; L80-L139 HydrophobicContact CG-CD2 4.47Å; H83-L139 HydrophobicContact CB-CD1 4.48Å; H83-L139 HydrophobicContact CB-CD2 4.33Å; H136-L139 PolarHBondContact O-N 3.14Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 3Å; L139-G156 VanDerWaalsContact O-O 3.11Å; L139-D157 WeakPolarHBondContact O-CA 3.35Å; L139-I158 HydrophobicContact CB-CG1 4.08Å; L139-I158 HydrophobicContact CD2-CD1 4.03Å; L139-I158 HydrophobicContact CD2-CG1 4.19Å; L139-I158 WeakPolarHBondContact O-CG1 3.31Å; L139-I158 WeakPolarHBondContact O-CG2 3.28Å; L139-I158 PolarHBondContact O-N 2.98Å
140N91.4Very high94.1Very high73 Ų7320 Ų2039%0.3911%0.11SC..SBendtrans-95-11.9-177.2-69.3-43.2000113.5N138 K155 G156N138-N140 PolarHBondContact O-N 3.19Å; N138-N140 PolarHBondContact O-ND2 2.79Å; N138-N140 WeakPolarHBondContact OD1-CB 3.24Å; N138-N140 PolarHBondContact OD1-N 3.02Å; N140-K155 CarbonylContact O-C 3.59Å; N140-K155 WeakPolarHBondContact O-CA 3.46Å; N140-G156 CarbonylContact C-O 3.59Å; N140-G156 WeakPolarHBondContact CA-O 3.47Å; N140-G156 PolarHBondContact O-N 2.68Å
141F93.9Very high94.1Very high19 Ų1919.2 Ų19.28%0.08311%0.106CC..EExtended strand (participates in β ladder)trans-138.4136.5-178.8-61.2-77.5000111H136 L153 T154 K155 F181 T188 L203H136-F141 HydrophobicContact CB-CB 3.95Å; H136-F141 WeakPolarHBondContact CB-O 3.23Å; H136-F141 PolarHBondContact N-O 2.87Å; F141-L153 HydrophobicContact CB-CD1 4.48Å; F141-L153 HydrophobicContact CD1-CD1 4.22Å; F141-L153 HydrophobicContact CD1-CD2 4.47Å; F141-T154 WeakPolarHBondContact CA-O 3.47Å; F141-K155 HydrophobicContact CD1-CB 4.33Å; F141-K155 HydrophobicContact CD1-CG 4.23Å; F141-K155 HydrophobicContact CE1-CB 4.28Å; F141-K155 HydrophobicContact CE1-CD 3.99Å; F141-K155 HydrophobicContact CE1-CG 3.75Å; F141-F181 HydrophobicContact CB-CD1 4.36Å; F141-F181 HydrophobicContact CB-CE1 3.62Å; F141-F181 HydrophobicContact CB-CE2 4.49Å; F141-F181 HydrophobicContact CB-CZ 3.7Å; F141-F181 HydrophobicContact CG-CE1 4.37Å; F141-T188 HydrophobicContact CD2-CG2 4.18Å; F141-T188 HydrophobicContact CE2-CG2 4.27Å; F141-L203 HydrophobicContact CD1-CD1 3.97Å; F141-L203 HydrophobicContact CE1-CB 4.16Å; F141-L203 HydrophobicContact CE1-CD1 4.23Å; F141-L203 HydrophobicContact CG-CD1 4.28Å; F141-L203 HydrophobicContact CZ-CB 4.22Å
142M95.6Very high94.1Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-138.1133168.4171.6-169.870.800108.1V87 V100 F119 L133 S134 V135 I144 L153 T154 I158V87-M142 HydrophobicContact CG1-SD 4.15Å; V100-M142 HydrophobicContact CG1-SD 4.24Å; F119-M142 HydrophobicContact CE2-CE 3.78Å; F119-M142 HydrophobicContact CZ-CE 3.36Å; F119-M142 HydrophobicContact CZ-SD 4.17Å; L133-M142 HydrophobicContact CD1-CG 4.08Å; L133-M142 HydrophobicContact CD1-SD 4.31Å; S134-M142 WeakPolarHBondContact O-CA 3.17Å; V135-M142 HydrophobicContact CG2-CG 4.1Å; M142-I144 HydrophobicContact CE-CD1 3.92Å; M142-I144 HydrophobicContact CE-CG1 4.39Å; M142-I144 HydrophobicContact CG-CG1 4.46Å; M142-I144 HydrophobicContact SD-CD1 4.45Å; M142-L153 CarbonylContact O-C 3.58Å; M142-L153 WeakPolarHBondContact O-CA 3.4Å; M142-T154 HydrophobicContact CE-CG2 4.19Å; M142-T154 VanDerWaalsContact CE-OG1 3.23Å; M142-T154 WeakPolarHBondContact CE-OG1 3.49Å; M142-T154 PolarHBondContact N-O 3.07Å; M142-T154 PolarHBondContact O-N 2.84Å; M142-I158 HydrophobicContact CB-CG2 3.82Å
143A96.2Very high94.1Very high0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-118.5136.3178.500000109.9S134 V152 L153 L179 F181 L190S134-A143 PolarHBondContact N-O 2.99Å; S134-A143 PolarHBondContact O-N 3.1Å; A143-V152 CarbonylContact C-O 3.51Å; A143-V152 WeakPolarHBondContact CA-O 3.41Å; A143-L153 HydrophobicContact CB-CD1 4.34Å; A143-L179 HydrophobicContact CB-CD1 4.03Å; A143-F181 HydrophobicContact CB-CE2 3.94Å; A143-F181 HydrophobicContact CB-CZ 3.65Å; A143-L190 HydrophobicContact CB-CD1 3.93Å; A143-L190 HydrophobicContact CB-CD2 3.75Å
144I96.5Very high94Very high3 Ų317.3 Ų17.32%0.0159%0.094CC..EExtended strand (participates in β ladder)trans-125.2122.1179.1-55.6173.7000107.4V100 A121 V130 L133 M142 F146 V151 V152V100-I144 HydrophobicContact CG2-CD1 3.74Å; A121-I144 HydrophobicContact CB-CD1 3.98Å; A121-I144 HydrophobicContact CB-CG2 4.41Å; V130-I144 HydrophobicContact CB-CG2 4.34Å; V130-I144 HydrophobicContact CG1-CG2 3.72Å; V130-I144 HydrophobicContact CG2-CG2 3.72Å; L133-I144 HydrophobicContact CD1-CG1 3.93Å; M142-I144 HydrophobicContact CE-CD1 3.92Å; M142-I144 HydrophobicContact CE-CG1 4.39Å; M142-I144 HydrophobicContact CG-CG1 4.46Å; M142-I144 HydrophobicContact SD-CD1 4.45Å; I144-F146 HydrophobicContact CB-CE2 4.11Å; I144-F146 HydrophobicContact CB-CZ 4.3Å; I144-F146 HydrophobicContact CG2-CD2 4.46Å; I144-F146 HydrophobicContact CG2-CE1 4.21Å; I144-F146 HydrophobicContact CG2-CE2 3.72Å; I144-F146 HydrophobicContact CG2-CZ 3.58Å; I144-V151 CarbonylContact O-C 3.56Å; I144-V151 WeakPolarHBondContact O-CA 3.29Å; I144-V152 PolarHBondContact N-O 2.86Å; I144-V152 PolarHBondContact O-N 2.87Å
145G95.6Very high93.7Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans-100.5145177.600000110.4S131 C132 L179S131-G145 PolarHBondContact N-O 2.95Å; S131-G145 PolarHBondContact OG-O 3Å; C132-G145 PolarHBondContact N-O 2.86Å; C132-G145 PolarHBondContact O-N 3.23Å; G145-L179 VanDerWaalsContact N-CD1 3.3Å
146F95.6Very high93.4Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-119157.1-176.1-66.2-87.5000112.2A121 P123 A128 E129 V130 S131 I144 D148 G149 S150 V152 V176A121-F146 HydrophobicContact CB-CE1 4.34Å; A121-F146 HydrophobicContact CB-CZ 4.08Å; A121-F146 WeakPolarHBondContact O-CE1 3.34Å; A121-F146 WeakPolarHBondContact O-CZ 3.28Å; P123-F146 HydrophobicContact CB-CD2 4.09Å; P123-F146 HydrophobicContact CB-CE2 4.13Å; P123-F146 HydrophobicContact CG-CD1 4.03Å; P123-F146 HydrophobicContact CG-CD2 3.97Å; P123-F146 HydrophobicContact CG-CE1 4.2Å; P123-F146 HydrophobicContact CG-CE2 4.16Å; P123-F146 HydrophobicContact CG-CG 3.91Å; P123-F146 HydrophobicContact CG-CZ 4.26Å; A128-F146 HydrophobicContact CB-CB 4.15Å; A128-F146 HydrophobicContact CB-CD1 3.84Å; A128-F146 HydrophobicContact CB-CG 4.27Å; E129-F146 WeakPolarHBondContact O-CA 3.36Å; V130-F146 HydrophobicContact CG2-CD1 4.1Å; V130-F146 HydrophobicContact CG2-CE1 3.55Å; V130-F146 HydrophobicContact CG2-CZ 4.18Å; S131-F146 WeakPolarHBondContact OG-CA 3.49Å; S131-F146 PolarHBondContact OG-N 2.93Å; I144-F146 HydrophobicContact CB-CE2 4.11Å; I144-F146 HydrophobicContact CB-CZ 4.3Å; I144-F146 HydrophobicContact CG2-CD2 4.46Å; I144-F146 HydrophobicContact CG2-CE1 4.21Å; I144-F146 HydrophobicContact CG2-CE2 3.72Å; I144-F146 HydrophobicContact CG2-CZ 3.58Å; F146-D148 WeakPolarHBondContact CB-OD1 3.1Å; F146-D148 PolarHBondContact O-N 3.04Å; F146-G149 PolarHBondContact O-N 2.76Å; F146-G149 VanDerWaalsContact O-N 3.08Å; F146-S150 WeakPolarHBondContact CD2-O 3.35Å; F146-S150 PolarHBondContact N-O 2.89Å; F146-V152 HydrophobicContact CD2-CG2 4.31Å; F146-V152 HydrophobicContact CE2-CB 3.89Å; F146-V152 HydrophobicContact CE2-CG2 3.53Å; F146-V152 HydrophobicContact CZ-CG2 4.32Å; F146-V176 PolarHBondContact O-N 3.49Å; F146-V176 VanDerWaalsContact O-N 3.14Å
147T94.1Very high93.1Very high60 Ų6022.6 Ų22.637%0.36812%0.121SC..THydrogen-bonded Turntrans-65.9-22.317748.30000113.3E129 G149 P175E129-T147 HydrophobicContact CB-CG2 4.09Å; E129-T147 PolarHBondContact O-N 3.03Å; E129-T147 PolarHBondContact O-OG1 2.95Å; T147-G149 PolarHBondContact O-N 3.37Å; T147-P175 WeakPolarHBondContact O-CA 3.45Å; T147-P175 WeakPolarHBondContact O-CG 3.31Å
148D92.3Very high93Very high59 Ų5920.7 Ų20.732%0.31611%0.113SC..THydrogen-bonded Turntrans-78.7-4.4173.471.2-15.5000113.1A128 F146 S150 G172A128-D148 HydrophobicContact CB-CB 4.35Å; F146-D148 WeakPolarHBondContact CB-OD1 3.1Å; F146-D148 PolarHBondContact O-N 3.04Å; D148-S150 VanDerWaalsContact CG-OG 3.31Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.31Å; D148-S150 PolarHBondContact OD1-N 3.19Å; D148-S150 PolarHBondContact OD1-OG 3.25Å; D148-S150 VanDerWaalsContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 2.9Å; D148-G172 CarbonylContact O-C 3.52Å
149G91.9Very high92.9Very high0 Ų019.9 Ų19.90%011%0.109CC..SBendtrans91.4-0.2-177.200000114.7F146 T147 H170 G172 S174F146-G149 PolarHBondContact O-N 2.76Å; F146-G149 VanDerWaalsContact O-N 3.08Å; T147-G149 PolarHBondContact O-N 3.37Å; G149-H170 PolarHBondContact O-CD2 2.96Å; G149-H170 VanDerWaalsContact O-CD2 3.31Å; G149-G172 PolarHBondContact O-N 3.5Å; G149-S174 WeakPolarHBondContact CA-O 3.11Å
150S94.6Very high92.6Very high8 Ų826.2 Ų26.26%0.05613%0.131CC..  trans-73.2147176.1-580000111.6F146 D148 H170F146-S150 WeakPolarHBondContact CD2-O 3.35Å; F146-S150 PolarHBondContact N-O 2.89Å; D148-S150 VanDerWaalsContact CG-OG 3.31Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.31Å; D148-S150 PolarHBondContact OD1-N 3.19Å; D148-S150 PolarHBondContact OD1-OG 3.25Å; D148-S150 VanDerWaalsContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 2.9Å; S150-H170 CarbonylContact C-O 3.57Å; S150-H170 VanDerWaalsContact CA-O 3.3Å; S150-H170 WeakPolarHBondContact CA-O 3.33Å
151V95.4Very high91.8Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-123.6121.5168.9-178.60000109.1I144 L169 H170 V176 L179 L190 V192I144-V151 CarbonylContact O-C 3.56Å; I144-V151 WeakPolarHBondContact O-CA 3.29Å; V151-L169 PolarHBondContact O-N 2.81Å; V151-H170 HydrophobicContact CB-CB 3.92Å; V151-H170 HydrophobicContact CG2-CB 4Å; V151-H170 PolarHBondContact N-O 2.85Å; V151-H170 PolarHBondContact O-N 3.07Å; V151-V176 HydrophobicContact CG2-CG1 4.25Å; V151-V176 HydrophobicContact CG2-CG2 3.75Å; V151-L179 HydrophobicContact CG1-CD2 4.18Å; V151-L179 HydrophobicContact CG2-CD2 4.42Å; V151-L190 HydrophobicContact CG1-CD2 4.46Å; V151-V192 HydrophobicContact CG2-CG1 3.79Å; V151-V192 HydrophobicContact CG2-CG2 4.43Å
152V94.7Very high90.7Very high7 Ų738.5 Ų38.54%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-102.3128.6175.5173.40000109.5P123 A143 I144 F146 T166 L167P123-V152 HydrophobicContact CB-CG2 3.88Å; A143-V152 CarbonylContact C-O 3.51Å; A143-V152 WeakPolarHBondContact CA-O 3.41Å; I144-V152 PolarHBondContact N-O 2.86Å; I144-V152 PolarHBondContact O-N 2.87Å; F146-V152 HydrophobicContact CD2-CG2 4.31Å; F146-V152 HydrophobicContact CE2-CB 3.89Å; F146-V152 HydrophobicContact CE2-CG2 3.53Å; F146-V152 HydrophobicContact CZ-CG2 4.32Å; V152-T166 HydrophobicContact CG1-CG2 3.24Å; V152-L167 WeakPolarHBondContact CA-O 3.48Å
153L94Very high89.4Confident0 Ų045.3 Ų45.30%021%0.212CC..EExtended strand (participates in β ladder)trans-110122.4176.7-177.772.8000110F141 M142 A143 T166 L167 L169 F181 L190 L203F141-L153 HydrophobicContact CB-CD1 4.48Å; F141-L153 HydrophobicContact CD1-CD1 4.22Å; F141-L153 HydrophobicContact CD1-CD2 4.47Å; M142-L153 CarbonylContact O-C 3.58Å; M142-L153 WeakPolarHBondContact O-CA 3.4Å; A143-L153 HydrophobicContact CB-CD1 4.34Å; L153-T166 WeakPolarHBondContact O-CA 3.44Å; L153-L167 HydrophobicContact CB-CD1 4.32Å; L153-L167 HydrophobicContact CB-CG 4.46Å; L153-L167 PolarHBondContact N-O 3.43Å; L153-L167 PolarHBondContact O-N 3.11Å; L153-L169 HydrophobicContact CB-CB 4.19Å; L153-L169 HydrophobicContact CB-CD2 4.47Å; L153-L169 HydrophobicContact CD2-CD2 4.46Å; L153-F181 HydrophobicContact CD1-CE1 4.23Å; L153-F181 HydrophobicContact CD1-CZ 4.06Å; L153-L190 HydrophobicContact CD1-CD2 4.43Å; L153-L203 HydrophobicContact CD1-CD1 4.02Å; L153-L203 HydrophobicContact CD2-CD1 4.17Å; L153-L203 HydrophobicContact CD2-CD2 3.82Å
154T92.6Very high88.7Confident0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-96.9121.3166.3-59.40000109.1F141 M142 K165 T166F141-T154 WeakPolarHBondContact CA-O 3.47Å; M142-T154 HydrophobicContact CE-CG2 4.19Å; M142-T154 VanDerWaalsContact CE-OG1 3.23Å; M142-T154 WeakPolarHBondContact CE-OG1 3.49Å; M142-T154 PolarHBondContact N-O 3.07Å; M142-T154 PolarHBondContact O-N 2.84Å; T154-K165 CarbonylContact C-O 3.28Å; T154-K165 WeakPolarHBondContact CA-O 3.33Å; T154-T166 PolarHBondContact OG1-OG1 2.85Å; T154-T166 VanDerWaalsContact OG1-OG1 3.06Å
155K90.5Very high88.2Confident75 Ų7553.9 Ų53.933%0.32625%0.252SS..EExtended strand (participates in β ladder)trans-112137.3-179.9179.8175.3-174.11700111.2N140 F141 S164 K165 Y208N140-K155 CarbonylContact O-C 3.59Å; N140-K155 WeakPolarHBondContact O-CA 3.46Å; F141-K155 HydrophobicContact CD1-CB 4.33Å; F141-K155 HydrophobicContact CD1-CG 4.23Å; F141-K155 HydrophobicContact CE1-CB 4.28Å; F141-K155 HydrophobicContact CE1-CD 3.99Å; F141-K155 HydrophobicContact CE1-CG 3.75Å; K155-S164 CarbonylContact O-C 3.42Å; K155-S164 VanDerWaalsContact O-CA 3.3Å; K155-S164 WeakPolarHBondContact O-CA 3.27Å; K155-K165 PolarHBondContact N-O 3.07Å; K155-K165 PolarHBondContact O-N 2.88Å; K155-Y208 WeakPolarHBondContact CD-OH 3.35Å; K155-Y208 PolarHBondContact NZ-OH 2.88Å; K155-Y208 VanDerWaalsContact NZ-OH 3.17Å
156G88.3Confident87.8Confident15 Ų1557.6 Ų57.616%0.15527%0.274CS..SBendtrans106.3177.2-173.700000111.3L139 N140 I158L139-G156 VanDerWaalsContact O-O 3.11Å; N140-G156 CarbonylContact C-O 3.59Å; N140-G156 WeakPolarHBondContact CA-O 3.47Å; N140-G156 PolarHBondContact O-N 2.68Å; G156-I158 PolarHBondContact O-N 3.2Å
157D88.6Confident87.6Confident43 Ų4360.1 Ų60.123%0.2329%0.287CS..  trans-57.5108.4-178.9-178.8-8.5000110.8L139 T159 R160L139-D157 WeakPolarHBondContact O-CA 3.35Å; D157-T159 PolarHBondContact O-N 3.07Å; D157-T159 VanDerWaalsContact O-N 3.14Å; D157-T159 WeakPolarHBondContact OD1-CB 3.49Å; D157-T159 PolarHBondContact OD1-N 2.8Å; D157-T159 PolarHBondContact OD1-OG1 2.91Å; D157-T159 PolarHBondContact OD2-OG1 2.8Å; D157-R160 HydrophobicContact CB-CB 4.4Å; D157-R160 PolarHBondContact O-N 2.76Å; D157-R160 VanDerWaalsContact O-N 3.09Å; D157-R160 VanDerWaalsContact OD2-CD 3.3Å; D157-R160 WeakPolarHBondContact OD2-CD 3.3Å; D157-R160 WeakPolarHBondContact OD2-CG 3.15Å; D157-R160 IonicContact OD2-NE 3.83Å
158I89.8Confident87.4Confident1 Ų159.1 Ų59.11%0.00528%0.281CS..THydrogen-bonded Turntrans-64.1-20.6-175.758.9154.8000112.9L80 V87 R117 V135 L139 M142 G156 R160L80-I158 HydrophobicContact CD1-CD1 4.46Å; V87-I158 HydrophobicContact CG2-CD1 4.05Å; R117-I158 VanDerWaalsContact CD-O 3.25Å; R117-I158 WeakPolarHBondContact CD-O 3.22Å; V135-I158 HydrophobicContact CG1-CD1 3.48Å; V135-I158 VanDerWaalsContact CG1-CD1 3.48Å; L139-I158 HydrophobicContact CB-CG1 4.08Å; L139-I158 HydrophobicContact CD2-CD1 4.03Å; L139-I158 HydrophobicContact CD2-CG1 4.19Å; L139-I158 WeakPolarHBondContact O-CG1 3.31Å; L139-I158 WeakPolarHBondContact O-CG2 3.28Å; L139-I158 PolarHBondContact O-N 2.98Å; M142-I158 HydrophobicContact CB-CG2 3.82Å; G156-I158 PolarHBondContact O-N 3.2Å; I158-R160 VanDerWaalsContact C-N 3.34Å
159T87.9Confident87.3Confident29 Ų2957.4 Ų57.418%0.17827%0.272CS..THydrogen-bonded Turntrans-82.9-12.4179.873.20000112.8I85 V102 D157I85-T159 HydrophobicContact CD1-CG2 3.96Å; I85-T159 HydrophobicContact CG1-CG2 4.24Å; V102-T159 HydrophobicContact CG1-CG2 4.36Å; D157-T159 PolarHBondContact O-N 3.07Å; D157-T159 VanDerWaalsContact O-N 3.14Å; D157-T159 WeakPolarHBondContact OD1-CB 3.49Å; D157-T159 PolarHBondContact OD1-N 2.8Å; D157-T159 PolarHBondContact OD1-OG1 2.91Å; D157-T159 PolarHBondContact OD2-OG1 2.8Å
160R84.4Confident87.1Confident158 Ų15858.4 Ų58.460%0.59628%0.277SS*.  trans-129.3132.3-174.5-64.9-176.3176.5-169-1.5112.2D157 I158D157-R160 HydrophobicContact CB-CB 4.4Å; D157-R160 PolarHBondContact O-N 2.76Å; D157-R160 VanDerWaalsContact O-N 3.09Å; D157-R160 VanDerWaalsContact OD2-CD 3.3Å; D157-R160 WeakPolarHBondContact OD2-CD 3.3Å; D157-R160 WeakPolarHBondContact OD2-CG 3.15Å; D157-R160 IonicContact OD2-NE 3.83Å; I158-R160 VanDerWaalsContact C-N 3.34Å
161D74.7Confident86.7Confident112 Ų11264.3 Ų64.360%0.59930%0.303SS*.G310 helixtrans-75.2-42.7-175.9-154.238.6000113.2R117 H163 S164R117-D161 IonicContact CZ-OD1 3.14Å; R117-D161 IonicContact NE-OD1 2.68Å; R117-D161 PolarHBondContact NE-OD1 2.83Å; R117-D161 IonicContact NH2-OD1 3.84Å; R117-D161 PolarHBondContact NH2-OD1 2.87Å; D161-H163 PolarHBondContact O-N 3.14Å; D161-S164 PolarHBondContact O-N 3.19Å; D161-S164 VanDerWaalsContact O-N 3.11Å; D161-S164 PolarHBondContact O-OG 2.92Å; D161-S164 VanDerWaalsContact O-OG 3.14Å
162R71.1Confident86.2Confident238 Ų23865.7 Ų65.790%0.89832%0.318SS*.G310 helixtrans-57.9-16.6-170.9-72.2-174.8179.8-178.80.2116.3
163H69.4Low85.8Confident143 Ų14372 Ų7266%0.66236%0.356SS*.G310 helixtrans-125.25-177.4-61.7-62.7000114D161D161-H163 PolarHBondContact O-N 3.14Å
164S80.7Confident85.8Confident20 Ų2072.6 Ų72.614%0.1436%0.361CS..  trans-97.4137.7-178.2720000111.4R117 K155 D161R117-S164 PolarHBondContact NH1-OG 3.39Å; R117-S164 PolarHBondContact NH2-OG 3.11Å; K155-S164 CarbonylContact O-C 3.42Å; K155-S164 VanDerWaalsContact O-CA 3.3Å; K155-S164 WeakPolarHBondContact O-CA 3.27Å; D161-S164 PolarHBondContact O-N 3.19Å; D161-S164 VanDerWaalsContact O-N 3.11Å; D161-S164 PolarHBondContact O-OG 2.92Å; D161-S164 VanDerWaalsContact O-OG 3.14Å
165K85.6Confident85.9Confident164 Ų16474.7 Ų74.771%0.71337%0.374SS*.EExtended strand (participates in β ladder)trans-121.3128.3174.3-67.7-175.5179.1-175.80109T154 K155T154-K165 CarbonylContact C-O 3.28Å; T154-K165 WeakPolarHBondContact CA-O 3.33Å; K155-K165 PolarHBondContact N-O 3.07Å; K155-K165 PolarHBondContact O-N 2.88Å
166T88.2Confident86.2Confident77 Ų7771.1 Ų71.147%0.47236%0.359SS..EExtended strand (participates in β ladder)trans-104.9130.3176.1-590000109.2V152 L153 T154V152-T166 HydrophobicContact CG1-CG2 3.24Å; L153-T166 WeakPolarHBondContact O-CA 3.44Å; T154-T166 PolarHBondContact OG1-OG1 2.85Å; T154-T166 VanDerWaalsContact OG1-OG1 3.06Å
167L90Very high86.5Confident53 Ų5370.6 Ų70.628%0.27735%0.353SS..EExtended strand (participates in β ladder)trans-139.5150.1179.866.392.9000110.7V152 L153 L169 Y208V152-L167 WeakPolarHBondContact CA-O 3.48Å; L153-L167 HydrophobicContact CB-CD1 4.32Å; L153-L167 HydrophobicContact CB-CG 4.46Å; L153-L167 PolarHBondContact N-O 3.43Å; L153-L167 PolarHBondContact O-N 3.11Å; L167-L169 HydrophobicContact CD1-CB 4.17Å; L167-L169 HydrophobicContact CD1-CD1 4.33Å; L167-Y208 HydrophobicContact CD1-CE2 4.27Å; L167-Y208 HydrophobicContact CD2-CE2 3.79Å
168T90.9Very high86.9Confident40 Ų4068.7 Ų68.725%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-81.4116171-50.10000108.7N124 E171N124-T168 WeakPolarHBondContact OD1-CB 3.36Å; N124-T168 PolarHBondContact OD1-OG1 3.06Å; T168-E171 HydrophobicContact CG2-CG 3.97Å
169L90.1Very high87.2Confident23 Ų2369.5 Ų69.512%0.1235%0.347CS..EExtended strand (participates in β ladder)trans-89.9-34.8-175.3-177.468.6000112.4V151 L153 L167 L190 Y201 L203 Y208V151-L169 PolarHBondContact O-N 2.81Å; L153-L169 HydrophobicContact CB-CB 4.19Å; L153-L169 HydrophobicContact CB-CD2 4.47Å; L153-L169 HydrophobicContact CD2-CD2 4.46Å; L167-L169 HydrophobicContact CD1-CB 4.17Å; L167-L169 HydrophobicContact CD1-CD1 4.33Å; L169-L190 HydrophobicContact CD2-CD2 3.67Å; L169-Y201 HydrophobicContact CD1-CD1 3.79Å; L169-Y201 HydrophobicContact CD1-CE1 3.97Å; L169-Y201 HydrophobicContact CD1-CG 4.49Å; L169-Y201 HydrophobicContact CD2-CD1 3.93Å; L169-Y201 HydrophobicContact CD2-CD2 4.14Å; L169-Y201 HydrophobicContact CD2-CE1 4.28Å; L169-Y201 HydrophobicContact CD2-CG 3.82Å; L169-Y201 HydrophobicContact CG-CD1 3.81Å; L169-Y201 HydrophobicContact CG-CE1 3.77Å; L169-Y201 HydrophobicContact CG-CG 4.21Å; L169-Y201 PolarHBondContact O-OH 3.09Å; L169-L203 HydrophobicContact CD2-CD2 4.27Å; L169-Y208 HydrophobicContact CD1-CD2 3.91Å; L169-Y208 HydrophobicContact CD1-CG 3.95Å
170H87.6Confident87.5Confident21 Ų2168.5 Ų68.510%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-138.1142.6180-172.566.6000109.9G149 S150 V151 F199 Y201G149-H170 PolarHBondContact O-CD2 2.96Å; G149-H170 VanDerWaalsContact O-CD2 3.31Å; S150-H170 CarbonylContact C-O 3.57Å; S150-H170 VanDerWaalsContact CA-O 3.3Å; S150-H170 WeakPolarHBondContact CA-O 3.33Å; V151-H170 HydrophobicContact CB-CB 3.92Å; V151-H170 HydrophobicContact CG2-CB 4Å; V151-H170 PolarHBondContact N-O 2.85Å; V151-H170 PolarHBondContact O-N 3.07Å; H170-F199 AromaticContact NE2-CE2 3.94Å; H170-Y201 HydrophobicContact CB-CE2 4.48Å; H170-Y201 VanDerWaalsContact CB-OH 3.31Å; H170-Y201 WeakPolarHBondContact CB-OH 3.32Å; H170-Y201 PolarHBondContact ND1-OH 3.36Å
171E87Confident88Confident131 Ų13161.9 Ų61.961%0.61232%0.318SS*.  trans-123.8125.7165.9-68.3178.1-162.600106.9N124 T168N124-E171 PolarHBondContact ND2-OE1 2.8Å; T168-E171 HydrophobicContact CG2-CG 3.97Å
172G84.5Confident88.9Confident30 Ų3056.9 Ų56.931%0.30929%0.291SS..  trans-135.9-175.9-177.300000111.1D148 G149D148-G172 CarbonylContact O-C 3.52Å; G149-G172 PolarHBondContact O-N 3.5Å
173T87.2Confident89.7Confident138 Ų13850.1 Ų50.185%0.84727%0.269SS*.SBendtrans-117.6-14.2175.153.70000112.8
174S93.1Very high90.5Very high13 Ų1347.7 Ų47.79%0.09126%0.259CS..SBendtrans-102.2135.1179170.50000109.4G149 V176 L195G149-S174 WeakPolarHBondContact CA-O 3.11Å; S174-V176 PolarHBondContact O-N 2.93Å; S174-L195 PolarHBondContact OG-N 2.81Å
175P95Very high90.6Very high44 Ų4451.3 Ų51.329%0.28629%0.29SS..PPolyproline II helixtrans-48.2135.8174.2-25.829.4000112.8T147 T194 L195T147-P175 WeakPolarHBondContact O-CA 3.45Å; T147-P175 WeakPolarHBondContact O-CG 3.31Å; P175-T194 VanDerWaalsContact O-CA 3.24Å; P175-T194 WeakPolarHBondContact O-CA 3.3Å; P175-T194 VanDerWaalsContact O-CB 3.25Å; P175-T194 WeakPolarHBondContact O-CB 3.34Å; P175-L195 HydrophobicContact CB-CD1 4.27Å; P175-L195 HydrophobicContact CB-CG 4.5Å; P175-L195 HydrophobicContact CG-CD1 3.87Å; P175-L195 PolarHBondContact O-N 2.79Å
176V96.6Very high90.6Very high0 Ų052.6 Ų52.60%030%0.296CS..EExtended strand (participates in β ladder)trans-75.6129.6170.7-1700000108.1S131 C132 F146 V151 S174 L179 V192 A193S131-V176 WeakPolarHBondContact CB-O 3.41Å; S131-V176 PolarHBondContact OG-O 2.94Å; C132-V176 VanDerWaalsContact SG-CG1 3.55Å; F146-V176 PolarHBondContact O-N 3.49Å; F146-V176 VanDerWaalsContact O-N 3.14Å; V151-V176 HydrophobicContact CG2-CG1 4.25Å; V151-V176 HydrophobicContact CG2-CG2 3.75Å; S174-V176 PolarHBondContact O-N 2.93Å; V176-L179 HydrophobicContact CG1-CD2 4.11Å; V176-L179 HydrophobicContact CG1-CG 4.16Å; V176-V192 HydrophobicContact CG1-CG1 3.82Å; V176-A193 WeakPolarHBondContact CG1-O 3.23Å
177T95.4Very high90.8Very high5 Ų551.6 Ų51.63%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-115.6-17.8-175.452.60000113.5A193 T194 L195 C218 L220T177-A193 PolarHBondContact N-O 2.97Å; T177-A193 PolarHBondContact OG1-O 3.39Å; T177-T194 VanDerWaalsContact OG1-C 3.31Å; T177-T194 PolarHBondContact OG1-O 3.3Å; T177-L195 HydrophobicContact CG2-CD2 3.65Å; T177-L195 HydrophobicContact CG2-CG 3.88Å; T177-C218 VanDerWaalsContact CB-O 3.25Å; T177-C218 WeakPolarHBondContact CB-O 3.33Å; T177-C218 VanDerWaalsContact CG2-O 3.29Å; T177-C218 WeakPolarHBondContact CG2-O 3.47Å; T177-C218 PolarHBondContact OG1-O 2.74Å; T177-L220 HydrophobicContact CG2-CD2 4.14Å; T177-L220 HydrophobicContact CG2-CG 4.22Å
178G95.1Very high90.9Very high3 Ų349.4 Ų49.43%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-152.4139.3-177.700000113.4A193 S223G178-A193 PolarHBondContact N-O 2.62Å; G178-A193 VanDerWaalsContact N-O 3.14Å; G178-A193 PolarHBondContact O-N 2.68Å; G178-S223 VanDerWaalsContact CA-OG 3.23Å; G178-S223 WeakPolarHBondContact CA-OG 3.37Å
179L96.4Very high91.1Very high17 Ų1748.3 Ų48.39%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-136.9131.5174.8-70173.2000109.8S134 A143 G145 V151 V176 L190 F191 V192S134-L179 WeakPolarHBondContact CB-O 3.46Å; S134-L179 PolarHBondContact OG-O 3.2Å; A143-L179 HydrophobicContact CB-CD1 4.03Å; G145-L179 VanDerWaalsContact N-CD1 3.3Å; V151-L179 HydrophobicContact CG1-CD2 4.18Å; V151-L179 HydrophobicContact CG2-CD2 4.42Å; V176-L179 HydrophobicContact CG1-CD2 4.11Å; V176-L179 HydrophobicContact CG1-CG 4.16Å; L179-L190 HydrophobicContact CD2-CD1 4.27Å; L179-F191 WeakPolarHBondContact CA-O 3.45Å; L179-V192 HydrophobicContact CD2-CB 4.16Å; L179-V192 HydrophobicContact CD2-CG1 4.01Å; L179-V192 HydrophobicContact CD2-CG2 3.74Å
180A95.6Very high91.4Very high9 Ų947.2 Ų47.27%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-145.6131.1175.700000112F191 L225 F234A180-F191 PolarHBondContact N-O 3.32Å; A180-F191 VanDerWaalsContact N-O 3.12Å; A180-F191 PolarHBondContact O-N 3.11Å; A180-L225 HydrophobicContact CB-CB 4.24Å; A180-L225 HydrophobicContact CB-CD1 4.26Å; A180-F234 HydrophobicContact CB-CD2 3.67Å; A180-F234 HydrophobicContact CB-CE2 3.57Å
181F94.8Very high91.8Very high19 Ų1946.2 Ų46.28%0.08326%0.26CS..EExtended strand (participates in β ladder)trans-86.9134.3170.1-71.1-77000111S134 H136 F141 A143 L153 T188 H189 L190 L203 L225S134-F181 WeakPolarHBondContact O-CE2 3.35Å; H136-F181 HydrophobicContact CB-CB 4.26Å; H136-F181 HydrophobicContact CB-CD1 4.34Å; H136-F181 HydrophobicContact CB-CD2 3.97Å; H136-F181 HydrophobicContact CB-CE2 4.38Å; H136-F181 HydrophobicContact CB-CG 3.94Å; H136-F181 AromaticContact CD2-CD1 3.93Å; H136-F181 AromaticContact CD2-CG 3.9Å; F141-F181 HydrophobicContact CB-CD1 4.36Å; F141-F181 HydrophobicContact CB-CE1 3.62Å; F141-F181 HydrophobicContact CB-CE2 4.49Å; F141-F181 HydrophobicContact CB-CZ 3.7Å; F141-F181 HydrophobicContact CG-CE1 4.37Å; A143-F181 HydrophobicContact CB-CE2 3.94Å; A143-F181 HydrophobicContact CB-CZ 3.65Å; L153-F181 HydrophobicContact CD1-CE1 4.23Å; L153-F181 HydrophobicContact CD1-CZ 4.06Å; F181-T188 HydrophobicContact CD1-CG2 4.12Å; F181-H189 WeakPolarHBondContact CA-O 3.36Å; F181-L190 HydrophobicContact CD1-CB 4.2Å; F181-L190 HydrophobicContact CD1-CD1 3.99Å; F181-L190 HydrophobicContact CD2-CD1 4.41Å; F181-L190 HydrophobicContact CE1-CB 4.11Å; F181-L190 HydrophobicContact CE1-CD1 3.84Å; F181-L190 HydrophobicContact CE1-CD2 4.42Å; F181-L190 HydrophobicContact CE1-CG 4.35Å; F181-L190 HydrophobicContact CE2-CD1 4.26Å; F181-L190 HydrophobicContact CG-CD1 4.29Å; F181-L190 HydrophobicContact CZ-CD1 3.98Å; F181-L203 HydrophobicContact CD1-CD1 4.11Å; F181-L203 HydrophobicContact CE1-CD1 3.54Å; F181-L225 VanDerWaalsContact O-CD2 3.28Å; F181-L225 WeakPolarHBondContact O-CD2 3.46Å
182R92.4Very high92.2Very high7 Ų740 Ų403%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-122127.3169.9-178.7-178.1-177.1-128.817109.2M184 H189 F191 L225 D231 S232 Q246R182-M184 PolarHBondContact NH1-SD 2.78Å; R182-M184 PolarHBondContact NH2-SD 2.81Å; R182-H189 PolarHBondContact N-O 3.07Å; R182-H189 PolarHBondContact O-N 2.89Å; R182-F191 HydrophobicContact CB-CD2 4.32Å; R182-F191 HydrophobicContact CB-CE2 3.81Å; R182-F191 HydrophobicContact CG-CE2 4.46Å; R182-L225 HydrophobicContact CB-CD1 4.34Å; R182-D231 VanDerWaalsContact CZ-O 3.24Å; R182-D231 PolarHBondContact NE-O 2.82Å; R182-D231 PolarHBondContact NH2-O 2.9Å; R182-S232 WeakPolarHBondContact CD-O 3.35Å; R182-S232 PolarHBondContact NE-O 2.9Å; R182-Q246 VanDerWaalsContact CZ-OE1 3.26Å
183Q89.2Confident92.8Very high95 Ų9538.5 Ų38.544%0.44422%0.216SC..EExtended strand (participates in β ladder)trans-112.1119.3172.6-171.3174.4-6.900110.1H136 A185 V187H136-Q183 PolarHBondContact CE1-OE1 2.77Å; H136-Q183 PolarHBondContact NE2-OE1 2.81Å; Q183-A185 PolarHBondContact NE2-O 3.24Å; Q183-A185 VanDerWaalsContact NE2-O 3.11Å; Q183-V187 WeakPolarHBondContact CA-O 3.34Å
184M85Confident93.2Very high92 Ų9232.2 Ų32.245%0.45318%0.178SC..EExtended strand (participates in β ladder)trans-115.8116.6167.8-71.3-166.790.900109R182 K186 V187R182-M184 PolarHBondContact NH1-SD 2.78Å; R182-M184 PolarHBondContact NH2-SD 2.81Å; M184-K186 PolarHBondContact O-N 3.22Å; M184-V187 PolarHBondContact N-O 2.85Å; M184-V187 PolarHBondContact O-N 2.87Å
185A83.8Confident93.2Very high96 Ų9635.9 Ų35.979%0.79320%0.195SC*.THydrogen-bonded Turntrans51.2-111.1-17400000112.1Q183Q183-A185 PolarHBondContact NE2-O 3.24Å; Q183-A185 VanDerWaalsContact NE2-O 3.11Å
186K85.7Confident93.1Very high191 Ų19139.4 Ų39.483%0.8321%0.208SC*.THydrogen-bonded Turntrans-101-0.4179.5-63.1-174.4-179.4179.20113.6M184 S204M184-K186 PolarHBondContact O-N 3.22Å; K186-S204 PolarHBondContact O-OG 2.97Å; K186-S204 VanDerWaalsContact O-OG 3.07Å
187V90.8Very high93Very high57 Ų5742.7 Ų42.735%0.34522%0.222SC..EExtended strand (participates in β ladder)trans-100.4124.5-178.4-168.20000109.8Q183 M184 H189 T202 S204Q183-V187 WeakPolarHBondContact CA-O 3.34Å; M184-V187 PolarHBondContact N-O 2.85Å; M184-V187 PolarHBondContact O-N 2.87Å; V187-H189 VanDerWaalsContact CG1-NE2 3.31Å; V187-H189 WeakPolarHBondContact CG1-NE2 3.37Å; V187-T202 HydrophobicContact CG1-CG2 3.72Å; V187-S204 VanDerWaalsContact CA-OG 3.31Å; V187-S204 WeakPolarHBondContact CA-OG 3.31Å
188T93.2Very high93Very high6 Ų642.4 Ų42.44%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-106.6125.7174.4-61.20000109H136 F141 F181 L203 S204H136-T188 VanDerWaalsContact CD2-CG2 3.48Å; H136-T188 WeakPolarHBondContact CD2-CG2 3.28Å; F141-T188 HydrophobicContact CD2-CG2 4.18Å; F141-T188 HydrophobicContact CE2-CG2 4.27Å; F181-T188 HydrophobicContact CD1-CG2 4.12Å; T188-L203 HydrophobicContact CG2-CB 4.35Å; T188-L203 HydrophobicContact CG2-CD1 4.23Å; T188-L203 WeakPolarHBondContact O-CB 3.38Å; T188-L203 PolarHBondContact O-N 3.28Å; T188-S204 PolarHBondContact N-OG 3.22Å; T188-S204 VanDerWaalsContact N-OG 3.07Å
189H94.6Very high92.9Very high17 Ų1742.7 Ų42.78%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-110.4146.7173-59.4-81.5000110.2F181 R182 V187 Y201 T202F181-H189 WeakPolarHBondContact CA-O 3.36Å; R182-H189 PolarHBondContact N-O 3.07Å; R182-H189 PolarHBondContact O-N 2.89Å; V187-H189 VanDerWaalsContact CG1-NE2 3.31Å; V187-H189 WeakPolarHBondContact CG1-NE2 3.37Å; H189-Y201 CarbonylContact C-O 3.59Å; H189-Y201 VanDerWaalsContact CA-O 3.24Å; H189-Y201 WeakPolarHBondContact CA-O 3.45Å; H189-T202 PolarHBondContact CE1-OG1 3.46Å; H189-T202 VanDerWaalsContact CE1-OG1 3.28Å; H189-T202 PolarHBondContact ND1-OG1 2.81Å
190L96Very high92.9Very high0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-117.3115.6169.4173.765.2000108.5A143 V151 L153 L169 L179 F181 V192 C200 Y201 L203A143-L190 HydrophobicContact CB-CD1 3.93Å; A143-L190 HydrophobicContact CB-CD2 3.75Å; V151-L190 HydrophobicContact CG1-CD2 4.46Å; L153-L190 HydrophobicContact CD1-CD2 4.43Å; L169-L190 HydrophobicContact CD2-CD2 3.67Å; L179-L190 HydrophobicContact CD2-CD1 4.27Å; F181-L190 HydrophobicContact CD1-CB 4.2Å; F181-L190 HydrophobicContact CD1-CD1 3.99Å; F181-L190 HydrophobicContact CD2-CD1 4.41Å; F181-L190 HydrophobicContact CE1-CB 4.11Å; F181-L190 HydrophobicContact CE1-CD1 3.84Å; F181-L190 HydrophobicContact CE1-CD2 4.42Å; F181-L190 HydrophobicContact CE1-CG 4.35Å; F181-L190 HydrophobicContact CE2-CD1 4.26Å; F181-L190 HydrophobicContact CG-CD1 4.29Å; F181-L190 HydrophobicContact CZ-CD1 3.98Å; L190-V192 HydrophobicContact CD2-CG2 4.35Å; L190-V192 HydrophobicContact CG-CG2 4.13Å; L190-C200 WeakPolarHBondContact O-CA 3.48Å; L190-Y201 PolarHBondContact N-O 3.32Å; L190-Y201 PolarHBondContact O-N 3.4Å; L190-L203 HydrophobicContact CB-CD1 3.93Å; L190-L203 HydrophobicContact CB-CD2 4.47Å; L190-L203 HydrophobicContact CB-CG 4.21Å
191F96.4Very high92.9Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-84.3138.1169.2-66.5-83.2000109.9L179 A180 R182 F199 C200 L213 L225 F234 P247L179-F191 WeakPolarHBondContact CA-O 3.45Å; A180-F191 PolarHBondContact N-O 3.32Å; A180-F191 VanDerWaalsContact N-O 3.12Å; A180-F191 PolarHBondContact O-N 3.11Å; R182-F191 HydrophobicContact CB-CD2 4.32Å; R182-F191 HydrophobicContact CB-CE2 3.81Å; R182-F191 HydrophobicContact CG-CE2 4.46Å; F191-F199 WeakPolarHBondContact CA-O 3.31Å; F191-C200 HydrophobicContact CD1-CB 4.03Å; F191-C200 HydrophobicContact CE1-CB 4.01Å; F191-L213 HydrophobicContact CD1-CD1 3.93Å; F191-L213 HydrophobicContact CE1-CD1 3.75Å; F191-L225 HydrophobicContact CD2-CD1 4.48Å; F191-F234 HydrophobicContact CB-CB 4.17Å; F191-F234 HydrophobicContact CB-CD1 3.6Å; F191-F234 HydrophobicContact CB-CD2 3.84Å; F191-F234 HydrophobicContact CB-CE1 3.82Å; F191-F234 HydrophobicContact CB-CE2 4.07Å; F191-F234 HydrophobicContact CB-CG 3.59Å; F191-F234 HydrophobicContact CB-CZ 4.04Å; F191-F234 HydrophobicContact CD1-CB 3.75Å; F191-F234 AromaticContact CD1-CD1 3.88Å; F191-F234 HydrophobicContact CD1-CD1 3.88Å; F191-F234 AromaticContact CD1-CG 3.97Å; F191-F234 HydrophobicContact CD1-CG 3.97Å; F191-F234 HydrophobicContact CD2-CB 3.71Å; F191-F234 HydrophobicContact CD2-CD2 4.42Å; F191-F234 HydrophobicContact CD2-CG 4.05Å; F191-F234 HydrophobicContact CE1-CB 3.98Å; F191-F234 HydrophobicContact CE2-CB 3.94Å; F191-F234 HydrophobicContact CG-CB 3.6Å; F191-F234 AromaticContact CG-CD1 3.83Å; F191-F234 HydrophobicContact CG-CD1 3.83Å; F191-F234 HydrophobicContact CG-CD2 4.18Å; F191-F234 AromaticContact CG-CG 3.61Å; F191-F234 HydrophobicContact CG-CG 3.61Å; F191-F234 HydrophobicContact CZ-CB 4.07Å; F191-P247 HydrophobicContact CZ-CG 4.12Å
192V96.4Very high92.8Very high0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-129117178.9-175.80000107.8V151 V176 L179 L190 V198 F199 Y201V151-V192 HydrophobicContact CG2-CG1 3.79Å; V151-V192 HydrophobicContact CG2-CG2 4.43Å; V176-V192 HydrophobicContact CG1-CG1 3.82Å; L179-V192 HydrophobicContact CD2-CB 4.16Å; L179-V192 HydrophobicContact CD2-CG1 4.01Å; L179-V192 HydrophobicContact CD2-CG2 3.74Å; L190-V192 HydrophobicContact CD2-CG2 4.35Å; L190-V192 HydrophobicContact CG-CG2 4.13Å; V192-V198 CarbonylContact O-C 3.59Å; V192-V198 WeakPolarHBondContact O-CA 3.36Å; V192-F199 HydrophobicContact CB-CB 4.35Å; V192-F199 HydrophobicContact CB-CD2 4.45Å; V192-F199 HydrophobicContact CG1-CD2 4.48Å; V192-F199 PolarHBondContact N-O 2.98Å; V192-F199 PolarHBondContact O-N 3Å; V192-Y201 HydrophobicContact CG2-CD2 3.96Å; V192-Y201 HydrophobicContact CG2-CE2 4.11Å
193A96.1Very high92.8Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-103.6136169.700000109.3V176 T177 G178 F234V176-A193 WeakPolarHBondContact CG1-O 3.23Å; T177-A193 PolarHBondContact N-O 2.97Å; T177-A193 PolarHBondContact OG1-O 3.39Å; G178-A193 PolarHBondContact N-O 2.62Å; G178-A193 VanDerWaalsContact N-O 3.14Å; G178-A193 PolarHBondContact O-N 2.68Å; A193-F234 HydrophobicContact CB-CE1 4.11Å; A193-F234 HydrophobicContact CB-CZ 4.1Å
194T95.8Very high92.6Very high6 Ų639.8 Ų39.84%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-112.6-177.316772.70000109.1P175 T177 E196 K197 F199 G217 C218P175-T194 VanDerWaalsContact O-CA 3.24Å; P175-T194 WeakPolarHBondContact O-CA 3.3Å; P175-T194 VanDerWaalsContact O-CB 3.25Å; P175-T194 WeakPolarHBondContact O-CB 3.34Å; T177-T194 VanDerWaalsContact OG1-C 3.31Å; T177-T194 PolarHBondContact OG1-O 3.3Å; T194-E196 PolarHBondContact O-N 2.6Å; T194-E196 PolarHBondContact OG1-N 3.36Å; T194-K197 PolarHBondContact N-O 2.88Å; T194-K197 PolarHBondContact OG1-N 2.79Å; T194-K197 PolarHBondContact OG1-O 3.13Å; T194-F199 HydrophobicContact CG2-CE2 4.22Å; T194-G217 CarbonylContact O-C 3.59Å; T194-G217 WeakPolarHBondContact O-CA 3.4Å; T194-C218 PolarHBondContact O-N 3.27Å
195L93.8Very high92.3Very high89 Ų8939.5 Ų39.547%0.46621%0.214SC..SBendtrans-61.3-27.9170.4-66.9173.8000112.7S174 P175 T177 G217S174-L195 PolarHBondContact OG-N 2.81Å; P175-L195 HydrophobicContact CB-CD1 4.27Å; P175-L195 HydrophobicContact CB-CG 4.5Å; P175-L195 HydrophobicContact CG-CD1 3.87Å; P175-L195 PolarHBondContact O-N 2.79Å; T177-L195 HydrophobicContact CG2-CD2 3.65Å; T177-L195 HydrophobicContact CG2-CG 3.88Å; L195-G217 WeakPolarHBondContact O-CA 3.43Å
196E92.6Very high92.1Very high119 Ų11944.4 Ų44.456%0.55622%0.217SC*.SBendtrans-113.8-29-171.6-63.9-178.5175.100114T194 T215 H216 G217T194-E196 PolarHBondContact O-N 2.6Å; T194-E196 PolarHBondContact OG1-N 3.36Å; E196-T215 CarbonylContact O-C 3.51Å; E196-H216 CarbonylContact O-C 3.59Å; E196-H216 WeakPolarHBondContact O-CA 3.44Å; E196-H216 PolarHBondContact O-N 2.88Å; E196-G217 VanDerWaalsContact C-N 3.25Å; E196-G217 PolarHBondContact O-N 2.95Å; E196-G217 VanDerWaalsContact O-N 3.13Å
197K93.8Very high92Very high68 Ų6843.9 Ų43.930%0.29622%0.218SC..  trans-139.3158.8-167.7-64.6-172171.6-142.50113T194 F199 E212 D214T194-K197 PolarHBondContact N-O 2.88Å; T194-K197 PolarHBondContact OG1-N 2.79Å; T194-K197 PolarHBondContact OG1-O 3.13Å; K197-F199 HydrophobicContact CB-CE1 4.24Å; K197-F199 HydrophobicContact CB-CE2 3.81Å; K197-F199 HydrophobicContact CB-CZ 3.61Å; K197-F199 HydrophobicContact CD-CE1 4.05Å; K197-F199 HydrophobicContact CD-CE2 4.5Å; K197-F199 HydrophobicContact CD-CZ 3.57Å; K197-F199 HydrophobicContact CG-CZ 4.24Å; K197-E212 IonicContact NZ-OE1 2.61Å; K197-E212 PolarHBondContact NZ-OE1 2.81Å; K197-E212 IonicContact NZ-OE2 2.78Å; K197-E212 PolarHBondContact NZ-OE2 2.91Å; K197-D214 WeakPolarHBondContact CA-O 3.42Å
198V95Very high91.9Very high0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans-124.3128.3172.6-175.70000109.6V192 L213 D214 H216 F234 V236 Y245V192-V198 CarbonylContact O-C 3.59Å; V192-V198 WeakPolarHBondContact O-CA 3.36Å; V198-L213 HydrophobicContact CG1-CB 4.35Å; V198-L213 HydrophobicContact CG1-CD1 4.33Å; V198-L213 PolarHBondContact O-N 2.81Å; V198-D214 PolarHBondContact N-O 3.2Å; V198-D214 PolarHBondContact O-N 2.86Å; V198-H216 WeakPolarHBondContact CG2-O 3.13Å; V198-F234 HydrophobicContact CG1-CD1 4.23Å; V198-F234 HydrophobicContact CG1-CE1 4.1Å; V198-V236 HydrophobicContact CG1-CG2 4.49Å; V198-V236 HydrophobicContact CG2-CG1 4.29Å; V198-V236 HydrophobicContact CG2-CG2 3.98Å; V198-Y245 HydrophobicContact CB-CE2 4.45Å; V198-Y245 HydrophobicContact CG1-CD2 4.17Å; V198-Y245 HydrophobicContact CG1-CE2 4.18Å; V198-Y245 HydrophobicContact CG1-CG 4.43Å; V198-Y245 HydrophobicContact CG2-CE2 4.09Å
199F94.6Very high91.9Very high8 Ų845.3 Ų45.34%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-122.6154.7178.9-49.8-76.7000111.4H170 F191 V192 T194 K197 Y201 K210 V211 E212H170-F199 AromaticContact NE2-CE2 3.94Å; F191-F199 WeakPolarHBondContact CA-O 3.31Å; V192-F199 HydrophobicContact CB-CB 4.35Å; V192-F199 HydrophobicContact CB-CD2 4.45Å; V192-F199 HydrophobicContact CG1-CD2 4.48Å; V192-F199 PolarHBondContact N-O 2.98Å; V192-F199 PolarHBondContact O-N 3Å; T194-F199 HydrophobicContact CG2-CE2 4.22Å; K197-F199 HydrophobicContact CB-CE1 4.24Å; K197-F199 HydrophobicContact CB-CE2 3.81Å; K197-F199 HydrophobicContact CB-CZ 3.61Å; K197-F199 HydrophobicContact CD-CE1 4.05Å; K197-F199 HydrophobicContact CD-CE2 4.5Å; K197-F199 HydrophobicContact CD-CZ 3.57Å; K197-F199 HydrophobicContact CG-CZ 4.24Å; F199-Y201 HydrophobicContact CB-CD2 4.49Å; F199-Y201 HydrophobicContact CB-CE2 4.13Å; F199-K210 HydrophobicContact CB-CG 4.37Å; F199-K210 HydrophobicContact CD1-CD 3.98Å; F199-K210 HydrophobicContact CD1-CG 4.37Å; F199-K210 HydrophobicContact CE1-CD 4.49Å; F199-K210 HydrophobicContact CG-CD 4.39Å; F199-V211 CarbonylContact C-O 3.57Å; F199-V211 VanDerWaalsContact CA-O 3.31Å; F199-V211 WeakPolarHBondContact CA-O 3.13Å; F199-E212 HydrophobicContact CD1-CB 4.04Å; F199-E212 HydrophobicContact CD1-CG 4.11Å; F199-E212 HydrophobicContact CE1-CB 4.18Å; F199-E212 HydrophobicContact CE1-CG 3.9Å
200C95.4Very high91.8Very high1 Ų149.1 Ų49.11%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-125.5132.6167.6177.80000110.1L190 F191 K210 V211 L213 P247L190-C200 WeakPolarHBondContact O-CA 3.48Å; F191-C200 HydrophobicContact CD1-CB 4.03Å; F191-C200 HydrophobicContact CE1-CB 4.01Å; C200-K210 WeakPolarHBondContact O-CA 3.46Å; C200-V211 PolarHBondContact N-O 2.69Å; C200-V211 PolarHBondContact O-N 2.87Å; C200-L213 HydrophobicContact CB-CD1 3.65Å; C200-L213 HydrophobicContact CB-CG 4.2Å; C200-P247 WeakPolarHBondContact CB-O 3.25Å; C200-P247 PolarHBondContact SG-O 3.05Å
201Y95Very high91.7Very high11 Ų1151.4 Ų51.44%0.04325%0.254CS..EExtended strand (participates in β ladder)trans-114.5129.8175.7-76.2-94.7000110.5L169 H170 H189 L190 V192 F199 Y208 P209 K210L169-Y201 HydrophobicContact CD1-CD1 3.79Å; L169-Y201 HydrophobicContact CD1-CE1 3.97Å; L169-Y201 HydrophobicContact CD1-CG 4.49Å; L169-Y201 HydrophobicContact CD2-CD1 3.93Å; L169-Y201 HydrophobicContact CD2-CD2 4.14Å; L169-Y201 HydrophobicContact CD2-CE1 4.28Å; L169-Y201 HydrophobicContact CD2-CG 3.82Å; L169-Y201 HydrophobicContact CG-CD1 3.81Å; L169-Y201 HydrophobicContact CG-CE1 3.77Å; L169-Y201 HydrophobicContact CG-CG 4.21Å; L169-Y201 PolarHBondContact O-OH 3.09Å; H170-Y201 HydrophobicContact CB-CE2 4.48Å; H170-Y201 VanDerWaalsContact CB-OH 3.31Å; H170-Y201 WeakPolarHBondContact CB-OH 3.32Å; H170-Y201 PolarHBondContact ND1-OH 3.36Å; H189-Y201 CarbonylContact C-O 3.59Å; H189-Y201 VanDerWaalsContact CA-O 3.24Å; H189-Y201 WeakPolarHBondContact CA-O 3.45Å; L190-Y201 PolarHBondContact N-O 3.32Å; L190-Y201 PolarHBondContact O-N 3.4Å; V192-Y201 HydrophobicContact CG2-CD2 3.96Å; V192-Y201 HydrophobicContact CG2-CE2 4.11Å; F199-Y201 HydrophobicContact CB-CD2 4.49Å; F199-Y201 HydrophobicContact CB-CE2 4.13Å; Y201-Y208 WeakPolarHBondContact CD1-O 3.39Å; Y201-P209 WeakPolarHBondContact CA-O 3.3Å; Y201-K210 HydrophobicContact CD1-CB 4.06Å; Y201-K210 HydrophobicContact CD1-CG 4.34Å; Y201-K210 HydrophobicContact CD2-CG 4.39Å; Y201-K210 HydrophobicContact CE1-CB 3.71Å; Y201-K210 HydrophobicContact CE1-CD 4.14Å; Y201-K210 HydrophobicContact CE1-CG 3.84Å; Y201-K210 HydrophobicContact CE2-CD 4.08Å; Y201-K210 HydrophobicContact CE2-CG 3.87Å; Y201-K210 VanDerWaalsContact OH-CD 3.26Å; Y201-K210 WeakPolarHBondContact OH-CD 3.47Å
202T94.1Very high91.6Very high17 Ų1755.5 Ų55.510%0.10427%0.273CS..EExtended strand (participates in β ladder)trans-92.7105.8175.4-58.20000110.9V187 H189 S204 Y208 P209V187-T202 HydrophobicContact CG1-CG2 3.72Å; H189-T202 PolarHBondContact CE1-OG1 3.46Å; H189-T202 VanDerWaalsContact CE1-OG1 3.28Å; H189-T202 PolarHBondContact ND1-OG1 2.81Å; T202-S204 PolarHBondContact O-N 2.96Å; T202-Y208 WeakPolarHBondContact O-CA 3.46Å; T202-P209 PolarHBondContact N-O 2.94Å; T202-P209 VanDerWaalsContact N-O 3.1Å; T202-P209 WeakPolarHBondContact O-CD 3.47Å
203L91.8Very high91.4Very high1 Ų156.3 Ų56.31%0.00528%0.277CS..THydrogen-bonded Turntrans-82.4-12.8-170.5-58.2-171.7000115.1F141 L153 L169 F181 T188 L190 N205 Y208F141-L203 HydrophobicContact CD1-CD1 3.97Å; F141-L203 HydrophobicContact CE1-CB 4.16Å; F141-L203 HydrophobicContact CE1-CD1 4.23Å; F141-L203 HydrophobicContact CG-CD1 4.28Å; F141-L203 HydrophobicContact CZ-CB 4.22Å; L153-L203 HydrophobicContact CD1-CD1 4.02Å; L153-L203 HydrophobicContact CD2-CD1 4.17Å; L153-L203 HydrophobicContact CD2-CD2 3.82Å; L169-L203 HydrophobicContact CD2-CD2 4.27Å; F181-L203 HydrophobicContact CD1-CD1 4.11Å; F181-L203 HydrophobicContact CE1-CD1 3.54Å; T188-L203 HydrophobicContact CG2-CB 4.35Å; T188-L203 HydrophobicContact CG2-CD1 4.23Å; T188-L203 WeakPolarHBondContact O-CB 3.38Å; T188-L203 PolarHBondContact O-N 3.28Å; L190-L203 HydrophobicContact CB-CD1 3.93Å; L190-L203 HydrophobicContact CB-CD2 4.47Å; L190-L203 HydrophobicContact CB-CG 4.21Å; L203-N205 VanDerWaalsContact C-N 3.25Å; L203-N205 PolarHBondContact O-N 3.1Å; L203-Y208 HydrophobicContact CD2-CD1 3.95Å; L203-Y208 HydrophobicContact CD2-CE1 4.48Å; L203-Y208 HydrophobicContact CD2-CG 4.44Å
204S84.9Confident91.2Very high57 Ų5757 Ų5740%0.39928%0.281SS..THydrogen-bonded Turntrans-73.4-19.1176.7-61.20000113.1K186 V187 T188 T202K186-S204 PolarHBondContact O-OG 2.97Å; K186-S204 VanDerWaalsContact O-OG 3.07Å; V187-S204 VanDerWaalsContact CA-OG 3.31Å; V187-S204 WeakPolarHBondContact CA-OG 3.31Å; T188-S204 PolarHBondContact N-OG 3.22Å; T188-S204 VanDerWaalsContact N-OG 3.07Å; T202-S204 PolarHBondContact O-N 2.96Å
205N79.8Confident91Very high85 Ų8560.8 Ų60.846%0.45530%0.304SS..SBendtrans-92147178.9-66.4-0.7000110.4L203 E207 Y208 P209L203-N205 VanDerWaalsContact C-N 3.25Å; L203-N205 PolarHBondContact O-N 3.1Å; N205-E207 PolarHBondContact O-N 3.14Å; N205-Y208 WeakPolarHBondContact O-CD1 3.39Å; N205-Y208 WeakPolarHBondContact O-CE1 3.48Å; N205-Y208 PolarHBondContact O-N 2.72Å; N205-P209 HydrophobicContact CB-CG 4.34Å
206K79.1Confident90.7Very high199 Ų19961.3 Ų61.387%0.86530%0.304SS*.THydrogen-bonded Turntrans-63.9-28.8-178.7-73.2-174.2179.7177.80113.6
207E82.7Confident90.6Very high181 Ų18156.3 Ų56.385%0.84629%0.285SS*.THydrogen-bonded Turntrans-93.9-4.6-176.6-64-177.2173.500113.8N205N205-E207 PolarHBondContact O-N 3.14Å
208Y89.6Confident90.6Very high38 Ų3853.4 Ų53.415%0.14927%0.272CS..  trans48.861.6-178.8-48.2-52.5000113.7K155 L167 L169 Y201 T202 L203 N205 K210K155-Y208 WeakPolarHBondContact CD-OH 3.35Å; K155-Y208 PolarHBondContact NZ-OH 2.88Å; K155-Y208 VanDerWaalsContact NZ-OH 3.17Å; L167-Y208 HydrophobicContact CD1-CE2 4.27Å; L167-Y208 HydrophobicContact CD2-CE2 3.79Å; L169-Y208 HydrophobicContact CD1-CD2 3.91Å; L169-Y208 HydrophobicContact CD1-CG 3.95Å; Y201-Y208 WeakPolarHBondContact CD1-O 3.39Å; T202-Y208 WeakPolarHBondContact O-CA 3.46Å; L203-Y208 HydrophobicContact CD2-CD1 3.95Å; L203-Y208 HydrophobicContact CD2-CE1 4.48Å; L203-Y208 HydrophobicContact CD2-CG 4.44Å; N205-Y208 WeakPolarHBondContact O-CD1 3.39Å; N205-Y208 WeakPolarHBondContact O-CE1 3.48Å; N205-Y208 PolarHBondContact O-N 2.72Å; Y208-K210 PolarHBondContact O-N 2.93Å
209P91.8Very high90.5Very high55 Ų5555.4 Ų55.436%0.35729%0.289SS..  trans-58.4136.4-175.826.8-34.5000110.7Y201 T202 N205Y201-P209 WeakPolarHBondContact CA-O 3.3Å; T202-P209 PolarHBondContact N-O 2.94Å; T202-P209 VanDerWaalsContact N-O 3.1Å; T202-P209 WeakPolarHBondContact O-CD 3.47Å; N205-P209 HydrophobicContact CB-CG 4.34Å
210K92.6Very high90.3Very high97 Ų9759.6 Ų59.642%0.42231%0.311SS..EExtended strand (participates in β ladder)trans-104.1131-178.4-172.8-171.684.9167.40110.3F199 C200 Y201 Y208F199-K210 HydrophobicContact CB-CG 4.37Å; F199-K210 HydrophobicContact CD1-CD 3.98Å; F199-K210 HydrophobicContact CD1-CG 4.37Å; F199-K210 HydrophobicContact CE1-CD 4.49Å; F199-K210 HydrophobicContact CG-CD 4.39Å; C200-K210 WeakPolarHBondContact O-CA 3.46Å; Y201-K210 HydrophobicContact CD1-CB 4.06Å; Y201-K210 HydrophobicContact CD1-CG 4.34Å; Y201-K210 HydrophobicContact CD2-CG 4.39Å; Y201-K210 HydrophobicContact CE1-CB 3.71Å; Y201-K210 HydrophobicContact CE1-CD 4.14Å; Y201-K210 HydrophobicContact CE1-CG 3.84Å; Y201-K210 HydrophobicContact CE2-CD 4.08Å; Y201-K210 HydrophobicContact CE2-CG 3.87Å; Y201-K210 VanDerWaalsContact OH-CD 3.26Å; Y201-K210 WeakPolarHBondContact OH-CD 3.47Å; Y208-K210 PolarHBondContact O-N 2.93Å
211V94.3Very high90.1Very high48 Ų4863.4 Ų63.429%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-114129.6169-1770000108.5F199 C200 L213F199-V211 CarbonylContact C-O 3.57Å; F199-V211 VanDerWaalsContact CA-O 3.31Å; F199-V211 WeakPolarHBondContact CA-O 3.13Å; C200-V211 PolarHBondContact N-O 2.69Å; C200-V211 PolarHBondContact O-N 2.87Å; V211-L213 HydrophobicContact CG1-CD2 3.93Å
212E94.5Very high90.1Very high85 Ų8563 Ų6340%0.39734%0.336SS..EExtended strand (participates in β ladder)trans-87.6116169.7-176166.8150.300108.1K197 F199K197-E212 IonicContact NZ-OE1 2.61Å; K197-E212 PolarHBondContact NZ-OE1 2.81Å; K197-E212 IonicContact NZ-OE2 2.78Å; K197-E212 PolarHBondContact NZ-OE2 2.91Å; F199-E212 HydrophobicContact CD1-CB 4.04Å; F199-E212 HydrophobicContact CD1-CG 4.11Å; F199-E212 HydrophobicContact CE1-CB 4.18Å; F199-E212 HydrophobicContact CE1-CG 3.9Å
213L93.1Very high90.2Very high17 Ų1763.2 Ų63.29%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-94.3-34.2-171.8-66.9173.7000112.6F191 V198 C200 V211 Y245 Q246F191-L213 HydrophobicContact CD1-CD1 3.93Å; F191-L213 HydrophobicContact CE1-CD1 3.75Å; V198-L213 HydrophobicContact CG1-CB 4.35Å; V198-L213 HydrophobicContact CG1-CD1 4.33Å; V198-L213 PolarHBondContact O-N 2.81Å; C200-L213 HydrophobicContact CB-CD1 3.65Å; C200-L213 HydrophobicContact CB-CG 4.2Å; V211-L213 HydrophobicContact CG1-CD2 3.93Å; L213-Y245 HydrophobicContact CB-CD1 3.88Å; L213-Y245 HydrophobicContact CB-CE1 4.21Å; L213-Y245 HydrophobicContact CD1-CD1 4.33Å; L213-Y245 HydrophobicContact CD1-CG 4.41Å; L213-Q246 WeakPolarHBondContact CD1-O 3.39Å
214D91.5Very high90.3Very high14 Ų1464.2 Ų64.28%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-157.7158.8175.6-149.6-13.6000112K197 V198 H216 Y245 R250K197-D214 WeakPolarHBondContact CA-O 3.42Å; V198-D214 PolarHBondContact N-O 3.2Å; V198-D214 PolarHBondContact O-N 2.86Å; D214-H216 VanDerWaalsContact C-N 3.34Å; D214-H216 IonicContact OD1-CD2 3.29Å; D214-H216 PolarHBondContact OD1-CD2 2.96Å; D214-H216 IonicContact OD2-CD2 2.99Å; D214-Y245 HydrophobicContact CB-CE1 3.73Å; D214-Y245 WeakPolarHBondContact CB-OH 3.45Å; D214-Y245 PolarHBondContact OD2-OH 3.37Å; D214-R250 IonicContact OD1-CZ 2.83Å; D214-R250 IonicContact OD1-NH1 2.78Å; D214-R250 PolarHBondContact OD1-NH1 2.87Å; D214-R250 IonicContact OD2-CZ 3.85Å; D214-R250 IonicContact OD2-NE 2.84Å; D214-R250 PolarHBondContact OD2-NE 2.95Å; D214-R250 IonicContact OD2-NH1 3.2Å; D214-R250 PolarHBondContact OD2-NH1 3Å; D214-R250 IonicContact OD2-NH2 3.94Å; D214-R250 PolarHBondContact OD2-NH2 3.07Å
215T90.9Very high90.6Very high87 Ų8763.7 Ų63.753%0.53434%0.338SS..SBendtrans-99.621.6172.660.60000112.1E196E196-T215 CarbonylContact O-C 3.51Å
216H87.9Confident91.1Very high100 Ų10059.8 Ų59.846%0.46332%0.318SS..  trans-126.5109.6174.2-64.4-70.9000109.5E196 V198 D214E196-H216 CarbonylContact O-C 3.59Å; E196-H216 WeakPolarHBondContact O-CA 3.44Å; E196-H216 PolarHBondContact O-N 2.88Å; V198-H216 WeakPolarHBondContact CG2-O 3.13Å; D214-H216 VanDerWaalsContact C-N 3.34Å; D214-H216 IonicContact OD1-CD2 3.29Å; D214-H216 PolarHBondContact OD1-CD2 2.96Å; D214-H216 IonicContact OD2-CD2 2.99Å
217G89.7Confident91.4Very high14 Ų1452 Ų5214%0.14429%0.285CS..  trans-87.9-161.6177.800000113.5T194 L195 E196T194-G217 CarbonylContact O-C 3.59Å; T194-G217 WeakPolarHBondContact O-CA 3.4Å; L195-G217 WeakPolarHBondContact O-CA 3.43Å; E196-G217 VanDerWaalsContact C-N 3.25Å; E196-G217 PolarHBondContact O-N 2.95Å; E196-G217 VanDerWaalsContact O-N 3.13Å
218C93.5Very high91.4Very high6 Ų648.4 Ų48.44%0.04128%0.278CS..  trans-144.9162.9173.965.10000112.4T177 T194 C222 V236 A237T177-C218 VanDerWaalsContact CB-O 3.25Å; T177-C218 WeakPolarHBondContact CB-O 3.33Å; T177-C218 VanDerWaalsContact CG2-O 3.29Å; T177-C218 WeakPolarHBondContact CG2-O 3.47Å; T177-C218 PolarHBondContact OG1-O 2.74Å; T194-C218 PolarHBondContact O-N 3.27Å; C218-C222 HydrophobicContact CB-CB 3.89Å; C218-V236 HydrophobicContact CB-CG1 3.51Å; C218-A237 WeakPolarHBondContact CB-O 3.39Å
219A93.4Very high90.8Very high43 Ų4350.9 Ų50.936%0.35530%0.3SS..  trans-66.4169.9168.900000112.1C222A219-C222 WeakPolarHBondContact O-CB 3.39Å; A219-C222 PolarHBondContact O-N 2.97Å
220L91.3Very high90Very high95 Ų9550.5 Ų50.550%0.49729%0.294SS..THydrogen-bonded Turntrans-56.5147.2172.5-69.7166000110.7T177 C222T177-L220 HydrophobicContact CG2-CD2 4.14Å; T177-L220 HydrophobicContact CG2-CG 4.22Å; L220-C222 PolarHBondContact O-N 3.43Å; L220-C222 PolarHBondContact O-SG 2.99Å
221C91.6Very high89.5Confident82 Ų8250.2 Ų50.255%0.55430%0.297SS*.THydrogen-bonded Turntrans60.46.4-177.9-55.40000115L262 T263C221-L262 HydrophobicContact CB-CG 4.49Å; C221-L262 CarbonylContact O-C 3.35Å; C221-L262 WeakPolarHBondContact O-CA 3.44Å; C221-T263 PolarHBondContact O-N 2.71Å
222C94.4Very high89.1Confident1 Ų148.9 Ų48.91%0.00729%0.29CS..  trans-102.423.7-179.9-64.30000113.1C218 A219 L220 A237 T263C218-C222 HydrophobicContact CB-CB 3.89Å; A219-C222 WeakPolarHBondContact O-CB 3.39Å; A219-C222 PolarHBondContact O-N 2.97Å; L220-C222 PolarHBondContact O-N 3.43Å; L220-C222 PolarHBondContact O-SG 2.99Å; C222-A237 HydrophobicContact CB-CB 4.28Å; C222-A237 WeakPolarHBondContact CB-O 3.38Å; C222-A237 PolarHBondContact O-N 3.43Å; C222-T263 WeakPolarHBondContact O-CG2 3.3Å
223S94.9Very high89Confident22 Ų2246.1 Ų46.115%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-130.5145.6168.768.30000111.9G178 I235 T263G178-S223 VanDerWaalsContact CA-OG 3.23Å; G178-S223 WeakPolarHBondContact CA-OG 3.37Å; S223-I235 CarbonylContact C-O 3.35Å; S223-I235 WeakPolarHBondContact CA-O 3.45Å; S223-T263 VanDerWaalsContact N-CG2 3.34Å
224S93.9Very high89.1Confident22 Ų2245.3 Ų45.315%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-152.6163.3176.2-163.70000111.1I235 W265S224-I235 PolarHBondContact N-O 3.01Å; S224-I235 WeakPolarHBondContact O-CB 3.21Å; S224-I235 PolarHBondContact O-N 2.92Å; S224-W265 PolarHBondContact OG-N 3.17Å
225L92.5Very high89.3Confident46 Ų4644.7 Ų44.724%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-101.4131.2174-165.775.5000109.3A180 F181 R182 F191 S232 F234A180-L225 HydrophobicContact CB-CB 4.24Å; A180-L225 HydrophobicContact CB-CD1 4.26Å; F181-L225 VanDerWaalsContact O-CD2 3.28Å; F181-L225 WeakPolarHBondContact O-CD2 3.46Å; R182-L225 HydrophobicContact CB-CD1 4.34Å; F191-L225 HydrophobicContact CD2-CD1 4.48Å; L225-S232 VanDerWaalsContact CD1-O 3.31Å; L225-S232 WeakPolarHBondContact CD1-O 3.47Å; L225-F234 HydrophobicContact CD1-CB 4.22Å; L225-F234 HydrophobicContact CD1-CD2 4.33Å
226A90.3Very high89.5Confident4 Ų440.5 Ų40.53%0.03324%0.244CC..PPolyproline II helixtrans-66.3161.6174.900000111.9Q230 S232 Q233 I235 W265A226-Q230 HydrophobicContact CB-CB 4.22Å; A226-S232 WeakPolarHBondContact O-CA 3.24Å; A226-Q233 HydrophobicContact CB-CB 4.3Å; A226-Q233 VanDerWaalsContact CB-O 3.27Å; A226-Q233 WeakPolarHBondContact CB-O 3.46Å; A226-Q233 PolarHBondContact N-O 3.11Å; A226-I235 HydrophobicContact CB-CD1 3.95Å; A226-W265 VanDerWaalsContact CA-CD1 3.47Å; A226-W265 HydrophobicContact CB-CD2 4.07Å; A226-W265 HydrophobicContact CB-CG 4.16Å
227D85.2Confident89.7Confident35 Ų3535.9 Ų35.919%0.18722%0.223CC..PPolyproline II helixtrans-65.5157.9175.8-63-52.1000111.7S229 Q230 S232 W265 R267 G268D227-S229 PolarHBondContact O-N 3.36Å; D227-S229 VanDerWaalsContact O-N 3.14Å; D227-Q230 CarbonylContact O-C 3.58Å; D227-Q230 PolarHBondContact O-N 3.33Å; D227-S232 PolarHBondContact O-N 3.11Å; D227-S232 VanDerWaalsContact O-N 3.1Å; D227-W265 PolarHBondContact OD2-NE1 2.98Å; D227-R267 VanDerWaalsContact OD2-CA 3.24Å; D227-R267 WeakPolarHBondContact OD2-CA 3.25Å; D227-R267 PolarHBondContact OD2-N 2.87Å; D227-G268 PolarHBondContact OD2-N 2.87Å
228P81.8Confident89.8Confident106 Ų10636 Ų3669%0.68822%0.224SC*.G310 helixtrans-57-25.8174.5-26.135.2000114.9Q230 D231 S232P228-Q230 PolarHBondContact O-N 3.47Å; P228-D231 PolarHBondContact O-N 2.96Å; P228-S232 WeakPolarHBondContact CA-OG 3.48Å
229S77.3Confident89.5Confident89 Ų8939.2 Ų39.262%0.62224%0.241SC*.G310 helixtrans-66.5-17.8175.354.30000113.5D227D227-S229 PolarHBondContact O-N 3.36Å; D227-S229 VanDerWaalsContact O-N 3.14Å
230Q75.9Confident89.2Confident47 Ų4743.2 Ų43.222%0.2225%0.252CS..G310 helixtrans-117.239.4179.7-64-67.9-27.400110.2A226 D227 P228 S232 Q233 W265 D304A226-Q230 HydrophobicContact CB-CB 4.22Å; D227-Q230 CarbonylContact O-C 3.58Å; D227-Q230 PolarHBondContact O-N 3.33Å; P228-Q230 PolarHBondContact O-N 3.47Å; Q230-S232 PolarHBondContact O-N 2.99Å; Q230-Q233 WeakPolarHBondContact O-CG 3.34Å; Q230-Q233 PolarHBondContact O-N 2.93Å; Q230-W265 HydrophobicContact CB-CZ2 4.37Å; Q230-W265 HydrophobicContact CG-CZ2 3.91Å; Q230-D304 PolarHBondContact NE2-OD2 3.5Å
231D82.4Confident89.1Confident92 Ų9239.8 Ų39.849%0.49224%0.236SC..THydrogen-bonded Turntrans55.317.7-179.3-58.1-40.4000114.9R182 P228 Q233R182-D231 VanDerWaalsContact CZ-O 3.24Å; R182-D231 PolarHBondContact NE-O 2.82Å; R182-D231 PolarHBondContact NH2-O 2.9Å; P228-D231 PolarHBondContact O-N 2.96Å; D231-Q233 VanDerWaalsContact C-N 3.26Å; D231-Q233 HydrophobicContact CB-CG 4.42Å; D231-Q233 PolarHBondContact O-N 3.04Å
232S86Confident89.2Confident20 Ų2035.9 Ų35.914%0.1421%0.21CC..THydrogen-bonded Turntrans5043.6-174.3-60.20000113.8R182 L225 A226 D227 P228 Q230R182-S232 WeakPolarHBondContact CD-O 3.35Å; R182-S232 PolarHBondContact NE-O 2.9Å; L225-S232 VanDerWaalsContact CD1-O 3.31Å; L225-S232 WeakPolarHBondContact CD1-O 3.47Å; A226-S232 WeakPolarHBondContact O-CA 3.24Å; D227-S232 PolarHBondContact O-N 3.11Å; D227-S232 VanDerWaalsContact O-N 3.1Å; P228-S232 WeakPolarHBondContact CA-OG 3.48Å; Q230-S232 PolarHBondContact O-N 2.99Å
233Q91.9Very high89.1Confident26 Ų2637.7 Ų37.712%0.12122%0.217CC..  trans-61.9140.4176.1-71.1175.48.400111.6A226 Q230 D231 L244 Y245 Q246A226-Q233 HydrophobicContact CB-CB 4.3Å; A226-Q233 VanDerWaalsContact CB-O 3.27Å; A226-Q233 WeakPolarHBondContact CB-O 3.46Å; A226-Q233 PolarHBondContact N-O 3.11Å; Q230-Q233 WeakPolarHBondContact O-CG 3.34Å; Q230-Q233 PolarHBondContact O-N 2.93Å; D231-Q233 VanDerWaalsContact C-N 3.26Å; D231-Q233 HydrophobicContact CB-CG 4.42Å; D231-Q233 PolarHBondContact O-N 3.04Å; Q233-L244 HydrophobicContact CB-CB 4.32Å; Q233-L244 HydrophobicContact CB-CD2 4.33Å; Q233-Y245 WeakPolarHBondContact CA-O 3.4Å; Q233-Q246 HydrophobicContact CG-CG 4.43Å; Q233-Q246 VanDerWaalsContact NE2-NE2 3.18Å
234F94.8Very high89Confident0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-85.5125.5176.2-178.3-115.5000110.4A180 F191 A193 V198 L225 V236 L244 Y245A180-F234 HydrophobicContact CB-CD2 3.67Å; A180-F234 HydrophobicContact CB-CE2 3.57Å; F191-F234 HydrophobicContact CB-CB 4.17Å; F191-F234 HydrophobicContact CB-CD1 3.6Å; F191-F234 HydrophobicContact CB-CD2 3.84Å; F191-F234 HydrophobicContact CB-CE1 3.82Å; F191-F234 HydrophobicContact CB-CE2 4.07Å; F191-F234 HydrophobicContact CB-CG 3.59Å; F191-F234 HydrophobicContact CB-CZ 4.04Å; F191-F234 HydrophobicContact CD1-CB 3.75Å; F191-F234 AromaticContact CD1-CD1 3.88Å; F191-F234 HydrophobicContact CD1-CD1 3.88Å; F191-F234 AromaticContact CD1-CG 3.97Å; F191-F234 HydrophobicContact CD1-CG 3.97Å; F191-F234 HydrophobicContact CD2-CB 3.71Å; F191-F234 HydrophobicContact CD2-CD2 4.42Å; F191-F234 HydrophobicContact CD2-CG 4.05Å; F191-F234 HydrophobicContact CE1-CB 3.98Å; F191-F234 HydrophobicContact CE2-CB 3.94Å; F191-F234 HydrophobicContact CG-CB 3.6Å; F191-F234 AromaticContact CG-CD1 3.83Å; F191-F234 HydrophobicContact CG-CD1 3.83Å; F191-F234 HydrophobicContact CG-CD2 4.18Å; F191-F234 AromaticContact CG-CG 3.61Å; F191-F234 HydrophobicContact CG-CG 3.61Å; F191-F234 HydrophobicContact CZ-CB 4.07Å; A193-F234 HydrophobicContact CB-CE1 4.11Å; A193-F234 HydrophobicContact CB-CZ 4.1Å; V198-F234 HydrophobicContact CG1-CD1 4.23Å; V198-F234 HydrophobicContact CG1-CE1 4.1Å; L225-F234 HydrophobicContact CD1-CB 4.22Å; L225-F234 HydrophobicContact CD1-CD2 4.33Å; F234-V236 HydrophobicContact CD1-CG2 3.85Å; F234-V236 HydrophobicContact CE1-CG2 3.48Å; F234-V236 VanDerWaalsContact CE1-CG2 3.48Å; F234-V236 HydrophobicContact CZ-CG2 4.23Å; F234-L244 CarbonylContact O-C 3.59Å; F234-L244 WeakPolarHBondContact O-CA 3.32Å; F234-Y245 HydrophobicContact CD1-CD2 4.25Å; F234-Y245 PolarHBondContact N-O 2.53Å; F234-Y245 WeakPolarHBondContact O-CD2 3.45Å; F234-Y245 PolarHBondContact O-N 3.2Å
235I94.7Very high89Confident1 Ų136 Ų361%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-106.2133.2-172-58.8156.2000109S223 S224 A226 V242 Y243 L244 W265 L270S223-I235 CarbonylContact C-O 3.35Å; S223-I235 WeakPolarHBondContact CA-O 3.45Å; S224-I235 PolarHBondContact N-O 3.01Å; S224-I235 WeakPolarHBondContact O-CB 3.21Å; S224-I235 PolarHBondContact O-N 2.92Å; A226-I235 HydrophobicContact CB-CD1 3.95Å; I235-V242 HydrophobicContact CG2-CG1 3.41Å; I235-V242 VanDerWaalsContact CG2-CG1 3.41Å; I235-Y243 WeakPolarHBondContact CA-O 3.45Å; I235-L244 HydrophobicContact CG1-CD2 4.4Å; I235-L244 HydrophobicContact CG1-CG 4.17Å; I235-W265 HydrophobicContact CD1-CB 3.8Å; I235-W265 HydrophobicContact CD1-CD2 3.62Å; I235-W265 HydrophobicContact CD1-CE3 3.19Å; I235-W265 HydrophobicContact CD1-CG 3.9Å; I235-W265 HydrophobicContact CD1-CZ3 3.91Å; I235-W265 HydrophobicContact CG1-CE3 4.48Å; I235-L270 HydrophobicContact CG2-CD1 4.18Å
236V95Very high89Confident0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-129.5115.5176.4178.20000107.9V198 C218 F234 V242 Y243 Y245V198-V236 HydrophobicContact CG1-CG2 4.49Å; V198-V236 HydrophobicContact CG2-CG1 4.29Å; V198-V236 HydrophobicContact CG2-CG2 3.98Å; C218-V236 HydrophobicContact CB-CG1 3.51Å; F234-V236 HydrophobicContact CD1-CG2 3.85Å; F234-V236 HydrophobicContact CE1-CG2 3.48Å; F234-V236 VanDerWaalsContact CE1-CG2 3.48Å; F234-V236 HydrophobicContact CZ-CG2 4.23Å; V236-V242 WeakPolarHBondContact O-CA 3.45Å; V236-Y243 PolarHBondContact N-O 2.91Å; V236-Y243 PolarHBondContact O-N 2.7Å; V236-Y245 HydrophobicContact CB-CD2 4.38Å; V236-Y245 HydrophobicContact CB-CE2 3.74Å; V236-Y245 HydrophobicContact CG2-CD2 3.81Å; V236-Y245 HydrophobicContact CG2-CE2 3.51Å
237A94Very high89Confident2 Ų235.5 Ų35.52%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-95.8109.1-18000000110C218 C222 V242 K260 T263 L272C218-A237 WeakPolarHBondContact CB-O 3.39Å; C222-A237 HydrophobicContact CB-CB 4.28Å; C222-A237 WeakPolarHBondContact CB-O 3.38Å; C222-A237 PolarHBondContact O-N 3.43Å; A237-V242 HydrophobicContact CB-CG2 3.87Å; A237-K260 HydrophobicContact CB-CG 4.34Å; A237-T263 HydrophobicContact CB-CG2 4.19Å; A237-L272 HydrophobicContact CB-CD2 4.1Å
238G90.6Very high89.2Confident18 Ų1839.8 Ų39.819%0.18622%0.224CC..  trans-94.4174.8165.200000111.5E240 C241 K260G238-E240 VanDerWaalsContact C-N 3.32Å; G238-E240 PolarHBondContact O-N 3.14Å; G238-C241 CarbonylContact C-O 2.87Å; G238-C241 WeakPolarHBondContact CA-O 3.48Å; G238-C241 PolarHBondContact N-O 3.09Å; G238-K260 WeakPolarHBondContact O-CG 3.27Å
239D87.5Confident89.5Confident73 Ų7340.8 Ų40.839%0.3922%0.219SC..SBendtrans-64.8-34.4-175.8-72.5-15.9000113.6D257 G258 H259 K260D239-D257 CarbonylContact O-C 3.39Å; D239-G258 WeakPolarHBondContact CA-O 3.42Å; D239-G258 PolarHBondContact O-N 2.79Å; D239-H259 VanDerWaalsContact OD1-CA 3.32Å; D239-H259 WeakPolarHBondContact OD1-CA 3.32Å; D239-H259 IonicContact OD2-CD2 2.68Å; D239-K260 PolarHBondContact O-NZ 2.92Å; D239-K260 VanDerWaalsContact O-NZ 3.14Å; D239-K260 PolarHBondContact OD1-N 2.99Å; D239-K260 VanDerWaalsContact OD1-N 3.11Å
240E86.2Confident90Very high126 Ų12641.4 Ų41.459%0.58921%0.208SC*.SBendtrans-97.8-31.9-178.2-59-64.813100112.8G238 A255 F256G238-E240 VanDerWaalsContact C-N 3.32Å; G238-E240 PolarHBondContact O-N 3.14Å; E240-A255 WeakPolarHBondContact O-CA 3.43Å; E240-F256 CarbonylContact C-O 3.54Å; E240-F256 CarbonylContact O-C 3.52Å; E240-F256 PolarHBondContact O-N 2.96Å
241C90.6Very high90.5Very high24 Ų2440.3 Ų40.316%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-145.2149.1-170.1-70.20000112.1G238 Y243 F254G238-C241 CarbonylContact C-O 2.87Å; G238-C241 WeakPolarHBondContact CA-O 3.48Å; G238-C241 PolarHBondContact N-O 3.09Å; C241-Y243 HydrophobicContact CB-CD2 4.4Å; C241-Y243 HydrophobicContact CB-CE1 3.9Å; C241-Y243 HydrophobicContact CB-CE2 3.71Å; C241-Y243 VanDerWaalsContact CB-CZ 3.42Å; C241-F254 CarbonylContact C-O 3.4Å; C241-F254 VanDerWaalsContact CA-O 3.27Å; C241-F254 WeakPolarHBondContact CA-O 3.48Å
242V92.7Very high90.8Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-104.1123.6164.6175.90000108.7I235 V236 A237 C253 F254 F256 L270 L272I235-V242 HydrophobicContact CG2-CG1 3.41Å; I235-V242 VanDerWaalsContact CG2-CG1 3.41Å; V236-V242 WeakPolarHBondContact O-CA 3.45Å; A237-V242 HydrophobicContact CB-CG2 3.87Å; V242-C253 WeakPolarHBondContact O-CA 3.12Å; V242-F254 PolarHBondContact N-O 2.79Å; V242-F254 PolarHBondContact O-N 3.5Å; V242-F256 HydrophobicContact CB-CD2 3.99Å; V242-F256 HydrophobicContact CB-CE2 4.25Å; V242-F256 HydrophobicContact CG2-CD2 3.62Å; V242-F256 HydrophobicContact CG2-CE2 4.2Å; V242-L270 HydrophobicContact CG1-CD2 4.1Å; V242-L270 HydrophobicContact CG2-CD2 4.34Å; V242-L272 HydrophobicContact CG2-CD1 3.97Å; V242-L272 HydrophobicContact CG2-CD2 4.02Å
243Y92.9Very high90.9Very high38 Ų3841.8 Ų41.815%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-105.7138.5-179.8-61.6-69.1000110.7I235 V236 C241 Y245 R250 C253I235-Y243 WeakPolarHBondContact CA-O 3.45Å; V236-Y243 PolarHBondContact N-O 2.91Å; V236-Y243 PolarHBondContact O-N 2.7Å; C241-Y243 HydrophobicContact CB-CD2 4.4Å; C241-Y243 HydrophobicContact CB-CE1 3.9Å; C241-Y243 HydrophobicContact CB-CE2 3.71Å; C241-Y243 VanDerWaalsContact CB-CZ 3.42Å; Y243-Y245 WeakPolarHBondContact CB-OH 3.42Å; Y243-R250 PolarHBondContact OH-NH2 2.81Å; Y243-C253 HydrophobicContact CD1-CB 3.35Å; Y243-C253 HydrophobicContact CE1-CB 3.38Å
244L93Very high90.9Very high9 Ų942.6 Ų42.65%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-109.9134.1173.8-66.184.5000108.8Q233 F234 I235 G251 P252 F254Q233-L244 HydrophobicContact CB-CB 4.32Å; Q233-L244 HydrophobicContact CB-CD2 4.33Å; F234-L244 CarbonylContact O-C 3.59Å; F234-L244 WeakPolarHBondContact O-CA 3.32Å; I235-L244 HydrophobicContact CG1-CD2 4.4Å; I235-L244 HydrophobicContact CG1-CG 4.17Å; L244-G251 CarbonylContact O-C 3.56Å; L244-G251 WeakPolarHBondContact O-CA 3.47Å; L244-G251 PolarHBondContact O-N 2.86Å; L244-P252 HydrophobicContact CB-CG 4.25Å; L244-P252 HydrophobicContact CD1-CG 4.41Å; L244-P252 WeakPolarHBondContact CD1-O 3.42Å; L244-P252 PolarHBondContact N-O 2.97Å; L244-F254 HydrophobicContact CD1-CD2 3.57Å; L244-F254 HydrophobicContact CD1-CE2 3.56Å
245Y93.1Very high90.6Very high0 Ų046 Ų460%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6141.5-174.6-64.2-77.3000111.9V198 L213 D214 Q233 F234 V236 Y243 R250V198-Y245 HydrophobicContact CB-CE2 4.45Å; V198-Y245 HydrophobicContact CG1-CD2 4.17Å; V198-Y245 HydrophobicContact CG1-CE2 4.18Å; V198-Y245 HydrophobicContact CG1-CG 4.43Å; V198-Y245 HydrophobicContact CG2-CE2 4.09Å; L213-Y245 HydrophobicContact CB-CD1 3.88Å; L213-Y245 HydrophobicContact CB-CE1 4.21Å; L213-Y245 HydrophobicContact CD1-CD1 4.33Å; L213-Y245 HydrophobicContact CD1-CG 4.41Å; D214-Y245 HydrophobicContact CB-CE1 3.73Å; D214-Y245 WeakPolarHBondContact CB-OH 3.45Å; D214-Y245 PolarHBondContact OD2-OH 3.37Å; Q233-Y245 WeakPolarHBondContact CA-O 3.4Å; F234-Y245 HydrophobicContact CD1-CD2 4.25Å; F234-Y245 PolarHBondContact N-O 2.53Å; F234-Y245 WeakPolarHBondContact O-CD2 3.45Å; F234-Y245 PolarHBondContact O-N 3.2Å; V236-Y245 HydrophobicContact CB-CD2 4.38Å; V236-Y245 HydrophobicContact CB-CE2 3.74Å; V236-Y245 HydrophobicContact CG2-CD2 3.81Å; V236-Y245 HydrophobicContact CG2-CE2 3.51Å; Y243-Y245 WeakPolarHBondContact CB-OH 3.42Å; Y245-R250 HydrophobicContact CD1-CB 4.2Å; Y245-R250 HydrophobicContact CD1-CG 4.19Å; Y245-R250 HydrophobicContact CE1-CB 4.11Å; Y245-R250 HydrophobicContact CE1-CG 3.77Å
246Q92.7Very high90.3Very high31 Ų3146.5 Ų46.515%0.14526%0.258CS..  trans-104.7167.1165.2-68.9-72.8-200108.7R182 L213 Q233 D248 E249R182-Q246 VanDerWaalsContact CZ-OE1 3.26Å; L213-Q246 WeakPolarHBondContact CD1-O 3.39Å; Q233-Q246 HydrophobicContact CG-CG 4.43Å; Q233-Q246 VanDerWaalsContact NE2-NE2 3.18Å; Q246-D248 PolarHBondContact O-N 3.35Å; Q246-E249 HydrophobicContact CB-CG 4.07Å; Q246-E249 PolarHBondContact N-O 3.06Å; Q246-E249 VanDerWaalsContact O-O 3.08Å
247P90.6Very high89.8Confident8 Ų850.6 Ų50.65%0.05228%0.28CS..SBendtrans-59.8-31.1-175.6-27.435.6000114.7F191 C200F191-P247 HydrophobicContact CZ-CG 4.12Å; C200-P247 WeakPolarHBondContact CB-O 3.25Å; C200-P247 PolarHBondContact SG-O 3.05Å
248D89.1Confident89.4Confident126 Ų12651.8 Ų51.867%0.67429%0.292SS*.SBendtrans-111-15.6-171.9-56.2-43.5000112.7Q246Q246-D248 PolarHBondContact O-N 3.35Å
249E89.3Confident89.3Confident127 Ų12754.9 Ų54.959%0.59330%0.302SS*.SBendtrans-149.4160.7-173.667.5177.5-175.900113.8Q246Q246-E249 HydrophobicContact CB-CG 4.07Å; Q246-E249 PolarHBondContact N-O 3.06Å; Q246-E249 VanDerWaalsContact O-O 3.08Å
250R87.8Confident89.5Confident102 Ų10251.5 Ų51.539%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-81122.5168.6-179.3177-178.7171.19.3109.5D214 Y243 Y245D214-R250 IonicContact OD1-CZ 2.83Å; D214-R250 IonicContact OD1-NH1 2.78Å; D214-R250 PolarHBondContact OD1-NH1 2.87Å; D214-R250 IonicContact OD2-CZ 3.85Å; D214-R250 IonicContact OD2-NE 2.84Å; D214-R250 PolarHBondContact OD2-NE 2.95Å; D214-R250 IonicContact OD2-NH1 3.2Å; D214-R250 PolarHBondContact OD2-NH1 3Å; D214-R250 IonicContact OD2-NH2 3.94Å; D214-R250 PolarHBondContact OD2-NH2 3.07Å; Y243-R250 PolarHBondContact OH-NH2 2.81Å; Y245-R250 HydrophobicContact CD1-CB 4.2Å; Y245-R250 HydrophobicContact CD1-CG 4.19Å; Y245-R250 HydrophobicContact CE1-CB 4.11Å; Y245-R250 HydrophobicContact CE1-CG 3.77Å
251G85.6Confident89.8Confident24 Ų2448 Ų4825%0.24727%0.268CS..EExtended strand (participates in β ladder)trans-86.5-157.2176.700000113.1L244L244-G251 CarbonylContact O-C 3.56Å; L244-G251 WeakPolarHBondContact O-CA 3.47Å; L244-G251 PolarHBondContact O-N 2.86Å
252P87.8Confident89.9Confident66 Ų6647.2 Ų47.243%0.42926%0.263SS..EExtended strand (participates in β ladder)trans-65.8154.3-175.126.5-33.1000112.8L244 F254L244-P252 HydrophobicContact CB-CG 4.25Å; L244-P252 HydrophobicContact CD1-CG 4.41Å; L244-P252 WeakPolarHBondContact CD1-O 3.42Å; L244-P252 PolarHBondContact N-O 2.97Å; P252-F254 HydrophobicContact CB-CE2 4.28Å; P252-F254 HydrophobicContact CG-CE2 4.39Å
253C89.6Confident90Very high76 Ų7647.5 Ų47.551%0.51427%0.265SS..EExtended strand (participates in β ladder)trans-121.5141.417471.10000111.7V242 Y243V242-C253 WeakPolarHBondContact O-CA 3.12Å; Y243-C253 HydrophobicContact CD1-CB 3.35Å; Y243-C253 HydrophobicContact CE1-CB 3.38Å
254F90.6Very high89.9Confident43 Ų4347.8 Ų47.819%0.18927%0.267CS..EExtended strand (participates in β ladder)trans-120.8122.5177.4-62.7-88.8000110W9 C241 V242 L244 P252 F256 L303W9-F254 HydrophobicContact CH2-CD1 4.38Å; W9-F254 HydrophobicContact CZ2-CD1 4.19Å; C241-F254 CarbonylContact C-O 3.4Å; C241-F254 VanDerWaalsContact CA-O 3.27Å; C241-F254 WeakPolarHBondContact CA-O 3.48Å; V242-F254 PolarHBondContact N-O 2.79Å; V242-F254 PolarHBondContact O-N 3.5Å; L244-F254 HydrophobicContact CD1-CD2 3.57Å; L244-F254 HydrophobicContact CD1-CE2 3.56Å; P252-F254 HydrophobicContact CB-CE2 4.28Å; P252-F254 HydrophobicContact CG-CE2 4.39Å; F254-F256 HydrophobicContact CB-CD2 3.93Å; F254-F256 HydrophobicContact CB-CE2 3.34Å; F254-F256 HydrophobicContact CB-CZ 3.8Å; F254-F256 HydrophobicContact CG-CE2 4.24Å; F254-F256 HydrophobicContact CG-CZ 4.48Å; F254-F256 PolarHBondContact O-N 3.34Å; F254-L303 HydrophobicContact CD1-CD2 4.32Å; F254-L303 HydrophobicContact CD2-CD1 3.94Å; F254-L303 HydrophobicContact CD2-CD2 4.44Å; F254-L303 HydrophobicContact CE1-CB 4.35Å; F254-L303 HydrophobicContact CE1-CD2 4.45Å; F254-L303 HydrophobicContact CE2-CB 4.45Å; F254-L303 HydrophobicContact CE2-CD1 3.69Å; F254-L303 HydrophobicContact CE2-CG 4.48Å; F254-L303 HydrophobicContact CG-CD2 4.31Å; F254-L303 HydrophobicContact CZ-CB 4.04Å; F254-L303 HydrophobicContact CZ-CD1 4.13Å; F254-L303 HydrophobicContact CZ-CG 4.49Å
255A89.3Confident89.8Confident73 Ų7347.9 Ų47.960%0.60327%0.267SS*.EExtended strand (participates in β ladder)trans-74.6118.9176.900000110E240E240-A255 WeakPolarHBondContact O-CA 3.43Å
256F88.4Confident89.6Confident11 Ų1149.7 Ų49.75%0.04828%0.275CS..  trans-140.7108.7175.9-62.9-61.2000107.6W9 E240 V242 F254 K260 L270 L272 Y301 L303W9-F256 HydrophobicContact CD2-CE1 4.45Å; W9-F256 AromaticContact CE2-CE1 3.87Å; W9-F256 HydrophobicContact CH2-CE1 4.17Å; W9-F256 AromaticContact CH2-CZ 3.83Å; W9-F256 HydrophobicContact CH2-CZ 3.83Å; W9-F256 AromaticContact CZ2-CE1 3.72Å; W9-F256 HydrophobicContact CZ2-CE1 3.72Å; W9-F256 AromaticContact CZ2-CZ 3.7Å; W9-F256 HydrophobicContact CZ2-CZ 3.7Å; E240-F256 CarbonylContact C-O 3.54Å; E240-F256 CarbonylContact O-C 3.52Å; E240-F256 PolarHBondContact O-N 2.96Å; V242-F256 HydrophobicContact CB-CD2 3.99Å; V242-F256 HydrophobicContact CB-CE2 4.25Å; V242-F256 HydrophobicContact CG2-CD2 3.62Å; V242-F256 HydrophobicContact CG2-CE2 4.2Å; F254-F256 HydrophobicContact CB-CD2 3.93Å; F254-F256 HydrophobicContact CB-CE2 3.34Å; F254-F256 HydrophobicContact CB-CZ 3.8Å; F254-F256 HydrophobicContact CG-CE2 4.24Å; F254-F256 HydrophobicContact CG-CZ 4.48Å; F254-F256 PolarHBondContact O-N 3.34Å; F256-K260 WeakPolarHBondContact O-CE 3.37Å; F256-K260 PolarHBondContact O-NZ 3.35Å; F256-L270 HydrophobicContact CE2-CD2 3.97Å; F256-L272 HydrophobicContact CB-CD1 4.22Å; F256-L272 HydrophobicContact CD2-CD1 3.73Å; F256-L272 HydrophobicContact CE2-CD1 4.17Å; F256-L272 HydrophobicContact CG-CD1 3.98Å; F256-Y301 AromaticContact CD1-CE1 3.97Å; F256-Y301 HydrophobicContact CD1-CE1 3.97Å; F256-Y301 HydrophobicContact CD1-CE2 4.47Å; F256-Y301 AromaticContact CD1-CZ 3.9Å; F256-Y301 AromaticContact CE1-CD1 3.72Å; F256-Y301 HydrophobicContact CE1-CD1 3.72Å; F256-Y301 AromaticContact CE1-CE1 3.49Å; F256-Y301 HydrophobicContact CE1-CE1 3.49Å; F256-Y301 VanDerWaalsContact CE1-CE1 3.49Å; F256-Y301 HydrophobicContact CE1-CE2 4.38Å; F256-Y301 HydrophobicContact CE1-CG 4.26Å; F256-Y301 AromaticContact CE1-CZ 3.84Å; F256-Y301 HydrophobicContact CZ-CD1 4.06Å; F256-Y301 HydrophobicContact CZ-CE1 4.25Å; F256-Y301 HydrophobicContact CZ-CG 4.21Å; F256-L303 HydrophobicContact CE2-CD2 4.18Å; F256-L303 HydrophobicContact CZ-CD2 3.82Å
257D83.8Confident89.3Confident85 Ų8554.9 Ų54.946%0.45529%0.293SS..  trans-76.9151.5-176.7-57.6-11.8000112.4F6 D239 K260F6-D257 WeakPolarHBondContact CZ-OD2 3.43Å; D239-D257 CarbonylContact O-C 3.39Å; D257-K260 VanDerWaalsContact C-NZ 3.27Å; D257-K260 PolarHBondContact O-NZ 3Å
258G85.4Confident89.1Confident27 Ų2755.2 Ų55.228%0.27830%0.299SS..SBendtrans114.1154.4168.500000113.9D239 K260D239-G258 WeakPolarHBondContact CA-O 3.42Å; D239-G258 PolarHBondContact O-N 2.79Å; G258-K260 PolarHBondContact O-N 2.87Å; G258-K260 VanDerWaalsContact O-N 3.1Å; G258-K260 PolarHBondContact O-NZ 3.26Å
259H89.1Confident89.2Confident84 Ų8449.6 Ų49.639%0.38927%0.268SS..  trans-65.7113.1-175.3-174.3-72.4000111.4D239 K275D239-H259 VanDerWaalsContact OD1-CA 3.32Å; D239-H259 WeakPolarHBondContact OD1-CA 3.32Å; D239-H259 IonicContact OD2-CD2 2.68Å; H259-K275 HydrophobicContact CB-CB 4.24Å; H259-K275 PolarHBondContact O-N 2.94Å
260K91.9Very high89.4Confident2 Ų243.6 Ų43.61%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-80.7134.6-177.3-55.4-58.1-177.4-88.50109.9A237 G238 D239 F256 D257 G258 I274A237-K260 HydrophobicContact CB-CG 4.34Å; G238-K260 WeakPolarHBondContact O-CG 3.27Å; D239-K260 PolarHBondContact O-NZ 2.92Å; D239-K260 VanDerWaalsContact O-NZ 3.14Å; D239-K260 PolarHBondContact OD1-N 2.99Å; D239-K260 VanDerWaalsContact OD1-N 3.11Å; F256-K260 WeakPolarHBondContact O-CE 3.37Å; F256-K260 PolarHBondContact O-NZ 3.35Å; D257-K260 VanDerWaalsContact C-NZ 3.27Å; D257-K260 PolarHBondContact O-NZ 3Å; G258-K260 PolarHBondContact O-N 2.87Å; G258-K260 VanDerWaalsContact O-N 3.1Å; G258-K260 PolarHBondContact O-NZ 3.26Å; K260-I274 HydrophobicContact CD-CD1 4.09Å; K260-I274 HydrophobicContact CD-CG1 3.78Å
261L92.1Very high89.7Confident51 Ų5138.7 Ų38.727%0.26722%0.222SC..EExtended strand (participates in β ladder)trans-109.6-34.6178.6-63.6177.8000111.9L273 K275 Q296L261-L273 HydrophobicContact CB-CD2 4.04Å; L261-L273 HydrophobicContact CB-CG 4.3Å; L261-L273 HydrophobicContact CD1-CD2 4.43Å; L261-L273 PolarHBondContact N-O 2.86Å; L261-K275 HydrophobicContact CD1-CB 3.96Å; L261-K275 HydrophobicContact CD2-CB 4.46Å; L261-K275 HydrophobicContact CG-CB 4.17Å; L261-Q296 HydrophobicContact CD1-CG 3.81Å
262L92.7Very high90.1Very high9 Ų937.6 Ų37.65%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-153.2139-177.8-178.4151.2000109.7C221 H264 L273 D319 V320C221-L262 HydrophobicContact CB-CG 4.49Å; C221-L262 CarbonylContact O-C 3.35Å; C221-L262 WeakPolarHBondContact O-CA 3.44Å; L262-H264 HydrophobicContact CD2-CB 4.23Å; L262-L273 HydrophobicContact CB-CB 3.89Å; L262-L273 HydrophobicContact CB-CD2 4.1Å; L262-L273 PolarHBondContact O-N 3Å; L262-D319 WeakPolarHBondContact CD1-OD1 3.24Å; L262-V320 HydrophobicContact CD2-CB 4.27Å; L262-V320 HydrophobicContact CD2-CG2 4.18Å
263T94.3Very high90.4Very high6 Ų634.6 Ų34.64%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-124.1137.5167.7-159.40000110.1C221 C222 S223 A237 L270 F271 L272C221-T263 PolarHBondContact O-N 2.71Å; C222-T263 WeakPolarHBondContact O-CG2 3.3Å; S223-T263 VanDerWaalsContact N-CG2 3.34Å; A237-T263 HydrophobicContact CB-CG2 4.19Å; T263-L270 WeakPolarHBondContact OG1-CD1 3.42Å; T263-F271 VanDerWaalsContact CA-O 3.29Å; T263-F271 WeakPolarHBondContact CA-O 3.49Å; T263-F271 PolarHBondContact OG1-O 2.94Å; T263-L272 WeakPolarHBondContact OG1-CD2 3.09Å
264H92.1Very high90.5Very high43 Ų4332.1 Ų32.120%0.19917%0.172CC..EExtended strand (participates in β ladder)trans-139147.5172.6-167.281.5000109.6L262 F271L262-H264 HydrophobicContact CD2-CB 4.23Å; H264-F271 HydrophobicContact CB-CB 4.05Å; H264-F271 PolarHBondContact N-O 3.3Å; H264-F271 WeakPolarHBondContact O-CB 3.38Å; H264-F271 PolarHBondContact O-N 3.09Å
265W91.4Very high90.4Very high11 Ų1132.8 Ų32.84%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-120.3129173.7-172.6-77.6000110.2S224 A226 D227 Q230 I235 Y269 L270 L303S224-W265 PolarHBondContact OG-N 3.17Å; A226-W265 VanDerWaalsContact CA-CD1 3.47Å; A226-W265 HydrophobicContact CB-CD2 4.07Å; A226-W265 HydrophobicContact CB-CG 4.16Å; D227-W265 PolarHBondContact OD2-NE1 2.98Å; Q230-W265 HydrophobicContact CB-CZ2 4.37Å; Q230-W265 HydrophobicContact CG-CZ2 3.91Å; I235-W265 HydrophobicContact CD1-CB 3.8Å; I235-W265 HydrophobicContact CD1-CD2 3.62Å; I235-W265 HydrophobicContact CD1-CE3 3.19Å; I235-W265 HydrophobicContact CD1-CG 3.9Å; I235-W265 HydrophobicContact CD1-CZ3 3.91Å; I235-W265 HydrophobicContact CG1-CE3 4.48Å; W265-Y269 WeakPolarHBondContact CA-O 3.4Å; W265-L270 HydrophobicContact CE3-CB 3.8Å; W265-L270 HydrophobicContact CE3-CD1 3.92Å; W265-L270 HydrophobicContact CE3-CG 4.46Å; W265-L270 HydrophobicContact CZ3-CB 3.74Å; W265-L270 HydrophobicContact CZ3-CD1 4.36Å; W265-L303 HydrophobicContact CH2-CD1 3.92Å; W265-L303 HydrophobicContact CH2-CG 4.3Å; W265-L303 HydrophobicContact CZ3-CD1 3.61Å; W265-L303 HydrophobicContact CZ3-CG 4.2Å
266H88.4Confident89.8Confident38 Ų3832.6 Ų32.618%0.17616%0.163CC..EExtended strand (participates in β ladder)trans-158.3136.3175-165.277.8000112.4G268 Y269 F271 A322 F327H266-G268 PolarHBondContact O-N 2.83Å; H266-Y269 PolarHBondContact N-O 3.29Å; H266-Y269 PolarHBondContact O-N 2.75Å; H266-F271 HydrophobicContact CB-CE2 4.42Å; H266-A322 HydrophobicContact CB-CB 4.24Å; H266-F327 HydrophobicContact CB-CE1 3.65Å; H266-F327 HydrophobicContact CB-CZ 4.13Å; H266-F327 AromaticContact CD2-CE1 3.41Å; H266-F327 VanDerWaalsContact CD2-CE1 3.41Å; H266-F327 WeakPolarHBondContact CD2-CE1 3.38Å; H266-F327 AromaticContact CD2-CZ 3.57Å; H266-F327 AromaticContact CG-CE1 3.74Å
267R85.4Confident88.6Confident140 Ų14037.5 Ų37.553%0.52819%0.194SC..THydrogen-bonded Turntrans5041.6178.8-70.9174.5179.6-155.9-4.2113.4D227 Y269D227-R267 VanDerWaalsContact OD2-CA 3.24Å; D227-R267 WeakPolarHBondContact OD2-CA 3.25Å; D227-R267 PolarHBondContact OD2-N 2.87Å; R267-Y269 PolarHBondContact O-N 3.01Å
268G86.9Confident87.1Confident16 Ų1642.4 Ų42.417%0.16521%0.211CC..THydrogen-bonded Turntrans76.53.2179.900000115.2D227 H266D227-G268 PolarHBondContact OD2-N 2.87Å; H266-G268 PolarHBondContact O-N 2.83Å
269Y91.4Very high84.8Confident7 Ų746 Ų463%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-101.8138.4174.8-63.1-69.9000111.9F15 W265 H266 R267 I300 Y301 D302 A309 E341F15-Y269 HydrophobicContact CE2-CE2 4.34Å; F15-Y269 HydrophobicContact CZ-CD2 4.1Å; F15-Y269 AromaticContact CZ-CE2 3.86Å; F15-Y269 HydrophobicContact CZ-CE2 3.86Å; W265-Y269 WeakPolarHBondContact CA-O 3.4Å; H266-Y269 PolarHBondContact N-O 3.29Å; H266-Y269 PolarHBondContact O-N 2.75Å; R267-Y269 PolarHBondContact O-N 3.01Å; Y269-I300 HydrophobicContact CD1-CG2 3.86Å; Y269-I300 HydrophobicContact CG-CG2 3.82Å; Y269-Y301 WeakPolarHBondContact CA-O 3.4Å; Y269-D302 HydrophobicContact CD1-CB 4.13Å; Y269-D302 HydrophobicContact CE1-CB 4.08Å; Y269-A309 HydrophobicContact CD1-CB 4.09Å; Y269-A309 HydrophobicContact CE1-CB 3.72Å; Y269-E341 VanDerWaalsContact CE2-OE1 3.25Å; Y269-E341 WeakPolarHBondContact CE2-OE1 3.26Å; Y269-E341 PolarHBondContact OH-OE1 3.44Å
270L93.3Very high82.5Confident1 Ų147.6 Ų47.61%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-94.5119.4168.3177.869.9000109.7I235 V242 F256 T263 W265 L272 I300 Y301 L303I235-L270 HydrophobicContact CG2-CD1 4.18Å; V242-L270 HydrophobicContact CG1-CD2 4.1Å; V242-L270 HydrophobicContact CG2-CD2 4.34Å; F256-L270 HydrophobicContact CE2-CD2 3.97Å; T263-L270 WeakPolarHBondContact OG1-CD1 3.42Å; W265-L270 HydrophobicContact CE3-CB 3.8Å; W265-L270 HydrophobicContact CE3-CD1 3.92Å; W265-L270 HydrophobicContact CE3-CG 4.46Å; W265-L270 HydrophobicContact CZ3-CB 3.74Å; W265-L270 HydrophobicContact CZ3-CD1 4.36Å; L270-L272 HydrophobicContact CD1-CD2 4.27Å; L270-L272 HydrophobicContact CD2-CD1 3.95Å; L270-L272 HydrophobicContact CD2-CD2 4.23Å; L270-L272 HydrophobicContact CD2-CG 4Å; L270-L272 HydrophobicContact CG-CD1 4.49Å; L270-L272 HydrophobicContact CG-CD2 4.2Å; L270-L272 HydrophobicContact CG-CG 4.01Å; L270-I300 WeakPolarHBondContact O-CA 3.36Å; L270-Y301 PolarHBondContact N-O 2.9Å; L270-Y301 PolarHBondContact O-N 3.39Å; L270-L303 HydrophobicContact CB-CD1 4.48Å; L270-L303 HydrophobicContact CB-CG 4.37Å; L270-L303 HydrophobicContact CD2-CD1 4.25Å; L270-L303 HydrophobicContact CD2-CD2 4.1Å
271F94.4Very high80Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-94.4123.5172.6-68.1-108.7000108.7T263 H264 H266 L298 I300 V320 F327T263-F271 VanDerWaalsContact CA-O 3.29Å; T263-F271 WeakPolarHBondContact CA-O 3.49Å; T263-F271 PolarHBondContact OG1-O 2.94Å; H264-F271 HydrophobicContact CB-CB 4.05Å; H264-F271 PolarHBondContact N-O 3.3Å; H264-F271 WeakPolarHBondContact O-CB 3.38Å; H264-F271 PolarHBondContact O-N 3.09Å; H266-F271 HydrophobicContact CB-CE2 4.42Å; F271-L298 HydrophobicContact CB-CD1 4.4Å; F271-L298 HydrophobicContact CD1-CD1 4.3Å; F271-I300 HydrophobicContact CD1-CD1 3.97Å; F271-I300 HydrophobicContact CD1-CG1 3.74Å; F271-I300 HydrophobicContact CE1-CD1 3.27Å; F271-I300 HydrophobicContact CE1-CG1 3.58Å; F271-I300 HydrophobicContact CE1-CG2 4.33Å; F271-I300 HydrophobicContact CE2-CG2 4.24Å; F271-I300 HydrophobicContact CG-CG1 4.46Å; F271-I300 HydrophobicContact CZ-CD1 3.75Å; F271-I300 HydrophobicContact CZ-CG1 4.14Å; F271-I300 HydrophobicContact CZ-CG2 4.04Å; F271-V320 HydrophobicContact CD1-CG1 3.99Å; F271-V320 HydrophobicContact CE1-CG1 4.33Å; F271-F327 HydrophobicContact CE1-CB 4.35Å; F271-F327 AromaticContact CE1-CD1 3.93Å; F271-F327 HydrophobicContact CE1-CD1 3.93Å; F271-F327 HydrophobicContact CE1-CD2 4.11Å; F271-F327 HydrophobicContact CE1-CE1 4.24Å; F271-F327 HydrophobicContact CE1-CE2 4.42Å; F271-F327 AromaticContact CE1-CG 3.85Å; F271-F327 HydrophobicContact CE1-CG 3.85Å; F271-F327 HydrophobicContact CE1-CZ 4.46Å; F271-F327 HydrophobicContact CE2-CD1 4.17Å; F271-F327 AromaticContact CE2-CE1 3.67Å; F271-F327 HydrophobicContact CE2-CE1 3.67Å; F271-F327 HydrophobicContact CE2-CE2 4.33Å; F271-F327 AromaticContact CE2-CZ 3.74Å; F271-F327 HydrophobicContact CE2-CZ 3.74Å; F271-F327 AromaticContact CZ-CD1 3.52Å; F271-F327 HydrophobicContact CZ-CD1 3.52Å; F271-F327 AromaticContact CZ-CD2 3.67Å; F271-F327 HydrophobicContact CZ-CD2 3.67Å; F271-F327 AromaticContact CZ-CE1 3.38Å; F271-F327 HydrophobicContact CZ-CE1 3.38Å; F271-F327 AromaticContact CZ-CE2 3.54Å; F271-F327 HydrophobicContact CZ-CE2 3.54Å; F271-F327 AromaticContact CZ-CG 3.65Å; F271-F327 HydrophobicContact CZ-CG 3.65Å; F271-F327 AromaticContact CZ-CZ 3.37Å; F271-F327 HydrophobicContact CZ-CZ 3.37Å
272L94.4Very high77.4Confident0 Ų062.6 Ų62.60%032%0.32CS..EExtended strand (participates in β ladder)trans-122.6121.3172.1-64.8177.5000109.5A237 V242 F256 T263 L270 I274 T299 Y301A237-L272 HydrophobicContact CB-CD2 4.1Å; V242-L272 HydrophobicContact CG2-CD1 3.97Å; V242-L272 HydrophobicContact CG2-CD2 4.02Å; F256-L272 HydrophobicContact CB-CD1 4.22Å; F256-L272 HydrophobicContact CD2-CD1 3.73Å; F256-L272 HydrophobicContact CE2-CD1 4.17Å; F256-L272 HydrophobicContact CG-CD1 3.98Å; T263-L272 WeakPolarHBondContact OG1-CD2 3.09Å; L270-L272 HydrophobicContact CD1-CD2 4.27Å; L270-L272 HydrophobicContact CD2-CD1 3.95Å; L270-L272 HydrophobicContact CD2-CD2 4.23Å; L270-L272 HydrophobicContact CD2-CG 4Å; L270-L272 HydrophobicContact CG-CD1 4.49Å; L270-L272 HydrophobicContact CG-CD2 4.2Å; L270-L272 HydrophobicContact CG-CG 4.01Å; L272-I274 HydrophobicContact CB-CG1 4.28Å; L272-T299 PolarHBondContact N-O 2.92Å; L272-T299 PolarHBondContact O-N 3.19Å; L272-Y301 HydrophobicContact CB-CE2 4.15Å; L272-Y301 HydrophobicContact CD1-CD2 3.99Å; L272-Y301 HydrophobicContact CD1-CE2 3.7Å; L272-Y301 HydrophobicContact CG-CD2 4.27Å; L272-Y301 HydrophobicContact CG-CE2 4.2Å
273L93.9Very high75.2Confident4 Ų468.1 Ų68.12%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-95.4115.3167.6-171.770.4000108.5L261 L262 Q296 L298 V317L261-L273 HydrophobicContact CB-CD2 4.04Å; L261-L273 HydrophobicContact CB-CG 4.3Å; L261-L273 HydrophobicContact CD1-CD2 4.43Å; L261-L273 PolarHBondContact N-O 2.86Å; L262-L273 HydrophobicContact CB-CB 3.89Å; L262-L273 HydrophobicContact CB-CD2 4.1Å; L262-L273 PolarHBondContact O-N 3Å; L273-Q296 HydrophobicContact CD1-CB 3.85Å; L273-Q296 HydrophobicContact CG-CB 4.28Å; L273-L298 HydrophobicContact CB-CD1 4.41Å; L273-L298 HydrophobicContact CD1-CB 4.02Å; L273-L298 HydrophobicContact CD1-CD1 4.39Å; L273-V317 HydrophobicContact CD1-CB 4.32Å; L273-V317 HydrophobicContact CD1-CG2 4.09Å; L273-V317 HydrophobicContact CD2-CB 3.81Å; L273-V317 HydrophobicContact CD2-CG1 4.08Å; L273-V317 HydrophobicContact CD2-CG2 4.48Å
274I92.3Very high72.3Confident23 Ų2371.1 Ų71.112%0.11839%0.392CS..EExtended strand (participates in β ladder)trans-113.8133.9-176.7-49.9-173.8000108.7K260 L272 D276 V297K260-I274 HydrophobicContact CD-CD1 4.09Å; K260-I274 HydrophobicContact CD-CG1 3.78Å; L272-I274 HydrophobicContact CB-CG1 4.28Å; I274-D276 PolarHBondContact O-N 2.78Å; I274-V297 PolarHBondContact N-O 3.38Å; I274-V297 PolarHBondContact O-N 3.19Å
275K87.8Confident70Confident58 Ų5880.1 Ų80.125%0.25243%0.431SS..EExtended strand (participates in β ladder)trans-70.4122.6171.9-171.6174.2172.5170.10109.5H259 L261 V277 E294H259-K275 HydrophobicContact CB-CB 4.24Å; H259-K275 PolarHBondContact O-N 2.94Å; L261-K275 HydrophobicContact CD1-CB 3.96Å; L261-K275 HydrophobicContact CD2-CB 4.46Å; L261-K275 HydrophobicContact CG-CB 4.17Å; K275-V277 PolarHBondContact O-N 3.43Å; K275-E294 WeakPolarHBondContact CE-OE1 3.24Å; K275-E294 WeakPolarHBondContact CE-OE2 3.25Å; K275-E294 IonicContact NZ-OE1 3.46Å; K275-E294 PolarHBondContact NZ-OE1 2.8Å; K275-E294 IonicContact NZ-OE2 3.98Å; K275-E294 PolarHBondContact NZ-OE2 2.8Å
276D76Confident67.5Low68 Ų6883 Ų8336%0.36446%0.464SS..  trans-80.4102.4179.3-166.1-2.3000110.4I274 K278 K295 V297I274-D276 PolarHBondContact O-N 2.78Å; D276-K278 VanDerWaalsContact C-N 3.34Å; D276-K278 WeakPolarHBondContact OD1-CB 3.34Å; D276-K278 PolarHBondContact OD1-N 3.08Å; D276-K295 VanDerWaalsContact CB-O 3.28Å; D276-K295 WeakPolarHBondContact CB-O 3.41Å; D276-K295 PolarHBondContact N-O 3.48Å; D276-K295 VanDerWaalsContact N-O 3.09Å; D276-V297 HydrophobicContact CB-CG2 4.14Å
277V63.6Low65.3Low115 Ų11587.4 Ų87.470%0.69750%0.499SS*.  trans-88.7-5.3175.9-168.70000111.1K275 S279K275-V277 PolarHBondContact O-N 3.43Å; V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.12Å
278K51.6Low62.9Low188 Ų18883.9 Ų83.982%0.81751%0.506SS*.  trans-90.645.7-173.3-67-173.9179.3175.70113.8D276 P280D276-K278 VanDerWaalsContact C-N 3.34Å; D276-K278 WeakPolarHBondContact OD1-CB 3.34Å; D276-K278 PolarHBondContact OD1-N 3.08Å; K278-P280 VanDerWaalsContact O-CD 3.32Å; K278-P280 WeakPolarHBondContact O-CD 3.43Å
279S38Very low60.7Low101 Ų10193.2 Ų93.271%0.70655%0.545SS*.  trans-107.485.9158.172.50000110.7V277 N281V277-S279 VanDerWaalsContact C-N 3.34Å; V277-S279 PolarHBondContact O-N 3.12Å; S279-N281 PolarHBondContact O-N 2.63Å
280P41.3Very low58.2Low118 Ų11897.6 Ų97.677%0.76658%0.577SS**  trans-75120.4167.530.3-27.9000108.8K278 K282K278-P280 VanDerWaalsContact O-CD 3.32Å; K278-P280 WeakPolarHBondContact O-CD 3.43Å; P280-K282 PolarHBondContact O-N 3.42Å
281N37.9Very low55.8Low158 Ų158103.3 Ų103.385%0.84562%0.617SS**  trans-15.2113.2160-68-28.6000115.1S279S279-N281 PolarHBondContact O-N 2.63Å
282K39.1Very low53.4Low211 Ų211111.4 Ų111.492%0.91766%0.659SS**  trans-81.1107.2140.6-90.9-174.1176.2179.60106.7P280 G284P280-K282 PolarHBondContact O-N 3.42Å; K282-G284 PolarHBondContact O-N 3.44Å; K282-G284 VanDerWaalsContact O-N 3.09Å
283S45.3Very low51.5Low124 Ų124115.3 Ų115.387%0.86769%0.687SS**  trans-52109.7167.750.40000110.5
284G34.7Very low50.4Low69 Ų69120.9 Ų120.971%0.71171%0.713SS**  trans-145.6106.2168.700000108K282 G286K282-G284 PolarHBondContact O-N 3.44Å; K282-G284 VanDerWaalsContact O-N 3.09Å; G284-G286 PolarHBondContact O-N 3.19Å
285F43.6Very low50Low233 Ų233125 Ų125100%1.02273%0.73SS**  trans-53120.4173.5-114.8-103000110.1
286G37.3Very low50.2Low71 Ų71123.4 Ų123.473%0.73272%0.723SS**  trans-174.3106175.500000110.6G284G284-G286 PolarHBondContact O-N 3.19Å
287S43.4Very low51Low131 Ų131121.7 Ų121.792%0.91672%0.715SS**  trans-59.3129.1177.550.50000112.9
288G35.6Very low52.4Low66 Ų66116.2 Ų116.268%0.6868%0.682SS**  trans167.2103.1166.900000110.8S290G288-S290 PolarHBondContact O-N 3.22Å
289E40.9Very low54.4Low211 Ų211107.7 Ų107.799%0.98665%0.646SS**  trans-61.795.5170.5-71.3177.1154.400109.7
290S38.7Very low57.1Low99 Ų99102.9 Ų102.969%0.69261%0.612SS**  trans-127.9120.7156.561.70000107.3G288 L292G288-S290 PolarHBondContact O-N 3.22Å; S290-L292 PolarHBondContact O-N 3.11Å
291S41.3Very low59.6Low121 Ų12198.3 Ų98.385%0.84658%0.58SS**  trans-50.5109.3178.749.30000110S293S291-S293 PolarHBondContact O-N 3.04Å
292L44.8Very low62.1Low170 Ų17091.4 Ų91.489%0.8954%0.543SS*.  trans-56.7102.8173-76.1140.1000108.3S290 E294S290-L292 PolarHBondContact O-N 3.11Å; L292-E294 PolarHBondContact O-N 2.93Å
293S55.3Low64.3Low83 Ų8381.8 Ų81.858%0.5850%0.501SS*.  trans-67.3107.3175.360.80000108.5S291 K295S291-S293 PolarHBondContact O-N 3.04Å; S293-K295 PolarHBondContact O-N 3.05Å
294E69.8Low66.2Low121 Ų12180.1 Ų80.157%0.56548%0.483SS*.  trans-58.4118.6172.7-63.6175139.200108.7K275 L292K275-E294 WeakPolarHBondContact CE-OE1 3.24Å; K275-E294 WeakPolarHBondContact CE-OE2 3.25Å; K275-E294 IonicContact NZ-OE1 3.46Å; K275-E294 PolarHBondContact NZ-OE1 2.8Å; K275-E294 IonicContact NZ-OE2 3.98Å; K275-E294 PolarHBondContact NZ-OE2 2.8Å; L292-E294 PolarHBondContact O-N 2.93Å
295K83.8Confident68.6Low109 Ų10977.8 Ų77.847%0.47445%0.454SS..EExtended strand (participates in β ladder)trans-74.4142.9180-70.1-172.2175-1770110.3D276 S293D276-K295 VanDerWaalsContact CB-O 3.28Å; D276-K295 WeakPolarHBondContact CB-O 3.41Å; D276-K295 PolarHBondContact N-O 3.48Å; D276-K295 VanDerWaalsContact N-O 3.09Å; S293-K295 PolarHBondContact O-N 3.05Å
296Q91.6Very high70.6Confident24 Ų2473.5 Ų73.511%0.11244%0.435CS..EExtended strand (participates in β ladder)trans-111.7135.1175.8-60.5171.6-7.200108.7L261 L273 S313 F314L261-Q296 HydrophobicContact CD1-CG 3.81Å; L273-Q296 HydrophobicContact CD1-CB 3.85Å; L273-Q296 HydrophobicContact CG-CB 4.28Å; Q296-S313 CarbonylContact O-C 3.53Å; Q296-S313 WeakPolarHBondContact O-CA 3.3Å; Q296-F314 PolarHBondContact N-O 3.34Å; Q296-F314 PolarHBondContact O-N 3.5Å
297V92.9Very high73.1Confident32 Ų3270.1 Ų70.119%0.19440%0.4CS..EExtended strand (participates in β ladder)trans-106.6114.7-179.4179.50000108.7I274 D276I274-V297 PolarHBondContact N-O 3.38Å; I274-V297 PolarHBondContact O-N 3.19Å; D276-V297 HydrophobicContact CB-CG2 4.14Å
298L93.8Very high75.4Confident0 Ų065 Ų650%036%0.362CS..EExtended strand (participates in β ladder)trans-86.7124.5170.1-17966.4000108.7F271 L273 S311 A312 F314 V320 I329 L339F271-L298 HydrophobicContact CB-CD1 4.4Å; F271-L298 HydrophobicContact CD1-CD1 4.3Å; L273-L298 HydrophobicContact CB-CD1 4.41Å; L273-L298 HydrophobicContact CD1-CB 4.02Å; L273-L298 HydrophobicContact CD1-CD1 4.39Å; L298-S311 VanDerWaalsContact O-CA 3.31Å; L298-S311 WeakPolarHBondContact O-CA 3.4Å; L298-A312 PolarHBondContact N-O 3.03Å; L298-A312 PolarHBondContact O-N 3.34Å; L298-F314 HydrophobicContact CB-CD2 3.88Å; L298-F314 HydrophobicContact CB-CE2 3.86Å; L298-F314 HydrophobicContact CD2-CE2 4.15Å; L298-V320 HydrophobicContact CD1-CG2 4.21Å; L298-V320 HydrophobicContact CD2-CG2 4.34Å; L298-I329 HydrophobicContact CD2-CD1 3.4Å; L298-I329 VanDerWaalsContact CD2-CD1 3.4Å; L298-I329 HydrophobicContact CD2-CG1 4.06Å; L298-L339 HydrophobicContact CD2-CD1 4.13Å
299T93.9Very high78.1Confident9 Ų961.9 Ų61.96%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-124131.4175.1-540000110.3L272 Y301 I308L272-T299 PolarHBondContact N-O 2.92Å; L272-T299 PolarHBondContact O-N 3.19Å; T299-Y301 HydrophobicContact CG2-CD1 4.36Å; T299-Y301 HydrophobicContact CG2-CD2 3.87Å; T299-Y301 HydrophobicContact CG2-CE1 3.85Å; T299-Y301 HydrophobicContact CG2-CE2 3.28Å; T299-Y301 HydrophobicContact CG2-CG 4.37Å; T299-I308 HydrophobicContact CG2-CB 4.5Å; T299-I308 HydrophobicContact CG2-CD1 4.43Å; T299-I308 HydrophobicContact CG2-CG1 4.11Å; T299-I308 HydrophobicContact CG2-CG2 3.64Å
300I94.8Very high80.7Confident0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-105.3118.4177.9-52.4-177.5000107.7F15 Y269 L270 F271 I308 A309 Y310 L339F15-I300 HydrophobicContact CD1-CD1 4.4Å; F15-I300 HydrophobicContact CD2-CD1 3.89Å; F15-I300 HydrophobicContact CE1-CD1 4.46Å; F15-I300 HydrophobicContact CE2-CD1 3.93Å; F15-I300 HydrophobicContact CE2-CG2 3.98Å; F15-I300 HydrophobicContact CG-CD1 4.12Å; F15-I300 HydrophobicContact CZ-CD1 4.22Å; F15-I300 HydrophobicContact CZ-CG2 4.42Å; Y269-I300 HydrophobicContact CD1-CG2 3.86Å; Y269-I300 HydrophobicContact CG-CG2 3.82Å; L270-I300 WeakPolarHBondContact O-CA 3.36Å; F271-I300 HydrophobicContact CD1-CD1 3.97Å; F271-I300 HydrophobicContact CD1-CG1 3.74Å; F271-I300 HydrophobicContact CE1-CD1 3.27Å; F271-I300 HydrophobicContact CE1-CG1 3.58Å; F271-I300 HydrophobicContact CE1-CG2 4.33Å; F271-I300 HydrophobicContact CE2-CG2 4.24Å; F271-I300 HydrophobicContact CG-CG1 4.46Å; F271-I300 HydrophobicContact CZ-CD1 3.75Å; F271-I300 HydrophobicContact CZ-CG1 4.14Å; F271-I300 HydrophobicContact CZ-CG2 4.04Å; I300-I308 CarbonylContact O-C 3.47Å; I300-A309 HydrophobicContact CB-CB 4.34Å; I300-A309 HydrophobicContact CG2-CB 4.09Å; I300-A309 PolarHBondContact O-N 3.37Å; I300-Y310 HydrophobicContact CD1-CD1 4.05Å; I300-Y310 HydrophobicContact CD1-CG 4.44Å; I300-Y310 HydrophobicContact CG1-CD1 4.34Å; I300-Y310 PolarHBondContact N-O 3.03Å; I300-L339 HydrophobicContact CD1-CD1 3.83Å
301Y92.4Very high83.3Confident23 Ų2349.4 Ų49.49%0.0926%0.263CS..EExtended strand (participates in β ladder)trans-108.6140.1-178.2-64.6-88000111.1W9 F256 Y269 L270 L272 T299 I308W9-Y301 HydrophobicContact CD2-CD1 4.12Å; W9-Y301 HydrophobicContact CD2-CE1 4.36Å; W9-Y301 AromaticContact CE3-CD1 3.57Å; W9-Y301 HydrophobicContact CE3-CD1 3.57Å; W9-Y301 HydrophobicContact CE3-CE1 4.24Å; W9-Y301 HydrophobicContact CH2-CD1 4.46Å; W9-Y301 AromaticContact CZ3-CD1 3.76Å; W9-Y301 HydrophobicContact CZ3-CD1 3.76Å; W9-Y301 HydrophobicContact CZ3-CG 4.41Å; F256-Y301 AromaticContact CD1-CE1 3.97Å; F256-Y301 HydrophobicContact CD1-CE1 3.97Å; F256-Y301 HydrophobicContact CD1-CE2 4.47Å; F256-Y301 AromaticContact CD1-CZ 3.9Å; F256-Y301 AromaticContact CE1-CD1 3.72Å; F256-Y301 HydrophobicContact CE1-CD1 3.72Å; F256-Y301 AromaticContact CE1-CE1 3.49Å; F256-Y301 HydrophobicContact CE1-CE1 3.49Å; F256-Y301 VanDerWaalsContact CE1-CE1 3.49Å; F256-Y301 HydrophobicContact CE1-CE2 4.38Å; F256-Y301 HydrophobicContact CE1-CG 4.26Å; F256-Y301 AromaticContact CE1-CZ 3.84Å; F256-Y301 HydrophobicContact CZ-CD1 4.06Å; F256-Y301 HydrophobicContact CZ-CE1 4.25Å; F256-Y301 HydrophobicContact CZ-CG 4.21Å; Y269-Y301 WeakPolarHBondContact CA-O 3.4Å; L270-Y301 PolarHBondContact N-O 2.9Å; L270-Y301 PolarHBondContact O-N 3.39Å; L272-Y301 HydrophobicContact CB-CE2 4.15Å; L272-Y301 HydrophobicContact CD1-CD2 3.99Å; L272-Y301 HydrophobicContact CD1-CE2 3.7Å; L272-Y301 HydrophobicContact CG-CD2 4.27Å; L272-Y301 HydrophobicContact CG-CE2 4.2Å; T299-Y301 HydrophobicContact CG2-CD1 4.36Å; T299-Y301 HydrophobicContact CG2-CD2 3.87Å; T299-Y301 HydrophobicContact CG2-CE1 3.85Å; T299-Y301 HydrophobicContact CG2-CE2 3.28Å; T299-Y301 HydrophobicContact CG2-CG 4.37Å; Y301-I308 HydrophobicContact CD1-CG1 3.73Å; Y301-I308 HydrophobicContact CE1-CD1 4.05Å; Y301-I308 HydrophobicContact CE1-CG1 3.52Å
302D90.3Very high85.7Confident12 Ų1244.7 Ų44.76%0.06423%0.232CC..EExtended strand (participates in β ladder)trans-104.6105.7163.2-178.1-36.3000107.2W9 Y269 D304 N305 K306 F307W9-D302 WeakPolarHBondContact CZ3-O 3.35Å; Y269-D302 HydrophobicContact CD1-CB 4.13Å; Y269-D302 HydrophobicContact CE1-CB 4.08Å; D302-D304 PolarHBondContact OD1-N 3.14Å; D302-N305 HydrophobicContact CB-CB 4.48Å; D302-N305 WeakPolarHBondContact OD1-CB 3.39Å; D302-N305 PolarHBondContact OD1-N 3.17Å; D302-N305 PolarHBondContact OD1-ND2 3.18Å; D302-N305 PolarHBondContact OD2-ND2 3.04Å; D302-K306 VanDerWaalsContact O-CA 3.32Å; D302-K306 WeakPolarHBondContact O-CA 3.43Å; D302-K306 PolarHBondContact O-N 3.45Å; D302-F307 HydrophobicContact CB-CD1 4.32Å; D302-F307 HydrophobicContact CB-CD2 4.12Å; D302-F307 HydrophobicContact CB-CE1 3.96Å; D302-F307 HydrophobicContact CB-CE2 3.7Å; D302-F307 HydrophobicContact CB-CG 4.38Å; D302-F307 HydrophobicContact CB-CZ 3.58Å; D302-F307 PolarHBondContact N-O 3.05Å; D302-F307 PolarHBondContact O-N 3.42Å; D302-F307 VanDerWaalsContact OD2-CZ 3.26Å; D302-F307 WeakPolarHBondContact OD2-CZ 3.33Å
303L87.3Confident87.9Confident9 Ų939.5 Ų39.55%0.04721%0.21CC..THydrogen-bonded Turntrans-72.5-34-173.7-59.1-173.6000112.4W9 F254 F256 W265 L270 K306W9-L303 HydrophobicContact CH2-CD2 3.54Å; W9-L303 HydrophobicContact CZ3-CD2 4.08Å; F254-L303 HydrophobicContact CD1-CD2 4.32Å; F254-L303 HydrophobicContact CD2-CD1 3.94Å; F254-L303 HydrophobicContact CD2-CD2 4.44Å; F254-L303 HydrophobicContact CE1-CB 4.35Å; F254-L303 HydrophobicContact CE1-CD2 4.45Å; F254-L303 HydrophobicContact CE2-CB 4.45Å; F254-L303 HydrophobicContact CE2-CD1 3.69Å; F254-L303 HydrophobicContact CE2-CG 4.48Å; F254-L303 HydrophobicContact CG-CD2 4.31Å; F254-L303 HydrophobicContact CZ-CB 4.04Å; F254-L303 HydrophobicContact CZ-CD1 4.13Å; F254-L303 HydrophobicContact CZ-CG 4.49Å; F256-L303 HydrophobicContact CE2-CD2 4.18Å; F256-L303 HydrophobicContact CZ-CD2 3.82Å; W265-L303 HydrophobicContact CH2-CD1 3.92Å; W265-L303 HydrophobicContact CH2-CG 4.3Å; W265-L303 HydrophobicContact CZ3-CD1 3.61Å; W265-L303 HydrophobicContact CZ3-CG 4.2Å; L270-L303 HydrophobicContact CB-CD1 4.48Å; L270-L303 HydrophobicContact CB-CG 4.37Å; L270-L303 HydrophobicContact CD2-CD1 4.25Å; L270-L303 HydrophobicContact CD2-CD2 4.1Å; L303-K306 WeakPolarHBondContact O-CG 3.22Å
304D84.1Confident89.6Confident89 Ų8935.8 Ų35.848%0.47618%0.183SC..THydrogen-bonded Turntrans-68.6-46.9-178.8-71.1-15000111Q230 D302Q230-D304 PolarHBondContact NE2-OD2 3.5Å; D302-D304 PolarHBondContact OD1-N 3.14Å
305N84.4Confident90.5Very high20 Ų2033.7 Ų33.711%0.10718%0.176CC..THydrogen-bonded Turntrans-88.2-5.7-179.6-64.7-56.4000113.1D302 F307 N362 S366D302-N305 HydrophobicContact CB-CB 4.48Å; D302-N305 WeakPolarHBondContact OD1-CB 3.39Å; D302-N305 PolarHBondContact OD1-N 3.17Å; D302-N305 PolarHBondContact OD1-ND2 3.18Å; D302-N305 PolarHBondContact OD2-ND2 3.04Å; N305-F307 HydrophobicContact CB-CD1 3.34Å; N305-F307 HydrophobicContact CB-CE1 3.19Å; N305-F307 HydrophobicContact CB-CZ 4.29Å; N305-F307 PolarHBondContact O-N 3.16Å; N305-N362 WeakPolarHBondContact OD1-CB 3.34Å; N305-S366 PolarHBondContact ND2-OG 2.82Å
306K87.3Confident90.6Very high144 Ų14431.5 Ų31.563%0.62617%0.169SC*.THydrogen-bonded Turntrans56.247.1176.4-56.4-177.4-178.3-176.50113.7W9 D302 L303W9-K306 VanDerWaalsContact CE3-C 3.44Å; D302-K306 VanDerWaalsContact O-CA 3.32Å; D302-K306 WeakPolarHBondContact O-CA 3.43Å; D302-K306 PolarHBondContact O-N 3.45Å; L303-K306 WeakPolarHBondContact O-CG 3.22Å
307F89.4Confident90.7Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-134.9161.4176.269.4-107.2000113.2R10 F12 F14 D302 N305 A309 M359 L363R10-F307 WeakPolarHBondContact O-CB 3.43Å; F12-F307 HydrophobicContact CD2-CB 3.92Å; F12-F307 AromaticContact CD2-CD2 3.75Å; F12-F307 HydrophobicContact CD2-CD2 3.75Å; F12-F307 AromaticContact CD2-CG 3.92Å; F12-F307 HydrophobicContact CD2-CG 3.92Å; F12-F307 HydrophobicContact CE2-CB 3.76Å; F12-F307 HydrophobicContact CE2-CD2 4.37Å; F12-F307 HydrophobicContact CE2-CG 4.07Å; F14-F307 AromaticContact CD2-CE2 3.66Å; F14-F307 HydrophobicContact CD2-CE2 3.66Å; F14-F307 HydrophobicContact CD2-CZ 4.04Å; F14-F307 HydrophobicContact CE2-CD2 4.24Å; F14-F307 HydrophobicContact CE2-CE1 4.37Å; F14-F307 AromaticContact CE2-CE2 3.46Å; F14-F307 HydrophobicContact CE2-CE2 3.46Å; F14-F307 VanDerWaalsContact CE2-CE2 3.46Å; F14-F307 AromaticContact CE2-CZ 3.56Å; F14-F307 HydrophobicContact CE2-CZ 3.56Å; D302-F307 HydrophobicContact CB-CD1 4.32Å; D302-F307 HydrophobicContact CB-CD2 4.12Å; D302-F307 HydrophobicContact CB-CE1 3.96Å; D302-F307 HydrophobicContact CB-CE2 3.7Å; D302-F307 HydrophobicContact CB-CG 4.38Å; D302-F307 HydrophobicContact CB-CZ 3.58Å; D302-F307 PolarHBondContact N-O 3.05Å; D302-F307 PolarHBondContact O-N 3.42Å; D302-F307 VanDerWaalsContact OD2-CZ 3.26Å; D302-F307 WeakPolarHBondContact OD2-CZ 3.33Å; N305-F307 HydrophobicContact CB-CD1 3.34Å; N305-F307 HydrophobicContact CB-CE1 3.19Å; N305-F307 HydrophobicContact CB-CZ 4.29Å; N305-F307 PolarHBondContact O-N 3.16Å; F307-A309 HydrophobicContact CD2-CB 4.35Å; F307-A309 HydrophobicContact CE2-CB 3.82Å; F307-M359 HydrophobicContact CB-SD 4.17Å; F307-M359 HydrophobicContact CD1-CG 4.1Å; F307-M359 HydrophobicContact CD1-SD 3.66Å; F307-M359 HydrophobicContact CE1-CG 4.46Å; F307-M359 HydrophobicContact CE1-SD 4.44Å; F307-M359 HydrophobicContact CG-SD 4.17Å; F307-L363 HydrophobicContact CE1-CD1 4.44Å; F307-L363 HydrophobicContact CZ-CD1 4.23Å
308I92Very high90.6Very high24 Ų2431.5 Ų31.512%0.12317%0.168CC..EExtended strand (participates in β ladder)trans-91.6111.8172.3-66.7161.7000107.8W9 R10 K11 F12 T299 I300 Y301 Y310W9-I308 HydrophobicContact CB-CD1 3.78Å; W9-I308 HydrophobicContact CB-CG1 3.8Å; R10-I308 PolarHBondContact O-N 3.39Å; K11-I308 HydrophobicContact CB-CB 4.4Å; K11-I308 HydrophobicContact CG-CB 4.5Å; K11-I308 HydrophobicContact CG-CG2 4.14Å; F12-I308 PolarHBondContact N-O 3.43Å; T299-I308 HydrophobicContact CG2-CB 4.5Å; T299-I308 HydrophobicContact CG2-CD1 4.43Å; T299-I308 HydrophobicContact CG2-CG1 4.11Å; T299-I308 HydrophobicContact CG2-CG2 3.64Å; I300-I308 CarbonylContact O-C 3.47Å; Y301-I308 HydrophobicContact CD1-CG1 3.73Å; Y301-I308 HydrophobicContact CE1-CD1 4.05Å; Y301-I308 HydrophobicContact CE1-CG1 3.52Å; I308-Y310 WeakPolarHBondContact CG2-O 3.39Å
309A91.8Very high90.4Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-71.8-34.1-179.200000111.8F12 F14 F15 Y269 I300 F307F12-A309 CarbonylContact C-O 3.51Å; F12-A309 VanDerWaalsContact C-O 3.28Å; F12-A309 CarbonylContact O-C 3.6Å; F14-A309 HydrophobicContact CB-CB 4.44Å; F14-A309 HydrophobicContact CD2-CB 4.28Å; F14-A309 PolarHBondContact N-O 3.41Å; F15-A309 HydrophobicContact CD2-CB 4.23Å; F15-A309 HydrophobicContact CE2-CB 3.83Å; Y269-A309 HydrophobicContact CD1-CB 4.09Å; Y269-A309 HydrophobicContact CE1-CB 3.72Å; I300-A309 HydrophobicContact CB-CB 4.34Å; I300-A309 HydrophobicContact CG2-CB 4.09Å; I300-A309 PolarHBondContact O-N 3.37Å; F307-A309 HydrophobicContact CD2-CB 4.35Å; F307-A309 HydrophobicContact CE2-CB 3.82Å
310Y94.2Very high90.4Very high19 Ų1932.5 Ų32.58%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-162.4151.3178.7177.6-98.9000111.2V13 F15 K17 I300 I308 A312 L339V13-Y310 HydrophobicContact CG1-CD2 4.44Å; F15-Y310 HydrophobicContact CB-CD2 3.8Å; F15-Y310 HydrophobicContact CB-CE2 4.44Å; F15-Y310 HydrophobicContact CB-CG 3.85Å; F15-Y310 HydrophobicContact CD2-CG 4.46Å; F15-Y310 HydrophobicContact CG-CG 4.49Å; F15-Y310 WeakPolarHBondContact O-CD2 3.26Å; K17-Y310 WeakPolarHBondContact CB-OH 3.46Å; K17-Y310 WeakPolarHBondContact CD-OH 3.39Å; I300-Y310 HydrophobicContact CD1-CD1 4.05Å; I300-Y310 HydrophobicContact CD1-CG 4.44Å; I300-Y310 HydrophobicContact CG1-CD1 4.34Å; I300-Y310 PolarHBondContact N-O 3.03Å; I308-Y310 WeakPolarHBondContact CG2-O 3.39Å; Y310-A312 HydrophobicContact CE1-CB 3.64Å; Y310-A312 HydrophobicContact CE2-CB 4.47Å; Y310-A312 WeakPolarHBondContact OH-CB 3.49Å; Y310-L339 HydrophobicContact CD1-CD1 4Å; Y310-L339 HydrophobicContact CE1-CD1 3.85Å; Y310-L339 HydrophobicContact CE1-CD2 3.79Å
311S93.4Very high90.3Very high29 Ų2932.7 Ų32.720%0.20318%0.175CC..EExtended strand (participates in β ladder)trans-156.8126173.5149.90000110.6K11 L298K11-S311 VanDerWaalsContact NZ-CB 3.31Å; K11-S311 PolarHBondContact NZ-O 3.22Å; K11-S311 PolarHBondContact NZ-OG 3.46Å; K11-S311 VanDerWaalsContact NZ-OG 3.07Å; L298-S311 VanDerWaalsContact O-CA 3.31Å; L298-S311 WeakPolarHBondContact O-CA 3.4Å
312A92.1Very high90.3Very high22 Ų2232 Ų3218%0.18217%0.174CC..EExtended strand (participates in β ladder)trans-150155.6178.900000112.2L298 Y310 F314L298-A312 PolarHBondContact N-O 3.03Å; L298-A312 PolarHBondContact O-N 3.34Å; Y310-A312 HydrophobicContact CE1-CB 3.64Å; Y310-A312 HydrophobicContact CE2-CB 4.47Å; Y310-A312 WeakPolarHBondContact OH-CB 3.49Å; A312-F314 HydrophobicContact CB-CE2 3.88Å; A312-F314 HydrophobicContact CB-CZ 4.34Å; A312-F314 WeakPolarHBondContact O-CD2 3.47Å
313S91.7Very high90.3Very high61 Ų6133.1 Ų33.143%0.42718%0.179SC..EExtended strand (participates in β ladder)trans-86.9141.617458.80000111.6Q296Q296-S313 CarbonylContact O-C 3.53Å; Q296-S313 WeakPolarHBondContact O-CA 3.3Å
314F90.4Very high90.5Very high4 Ų434.6 Ų34.62%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-132.5157175.6-65.2-93000109.9K17 Q296 L298 A312 V317 I329 F337K17-F314 HydrophobicContact CD-CE1 4.01Å; K17-F314 HydrophobicContact CD-CZ 3.93Å; Q296-F314 PolarHBondContact N-O 3.34Å; Q296-F314 PolarHBondContact O-N 3.5Å; L298-F314 HydrophobicContact CB-CD2 3.88Å; L298-F314 HydrophobicContact CB-CE2 3.86Å; L298-F314 HydrophobicContact CD2-CE2 4.15Å; A312-F314 HydrophobicContact CB-CE2 3.88Å; A312-F314 HydrophobicContact CB-CZ 4.34Å; A312-F314 WeakPolarHBondContact O-CD2 3.47Å; F314-V317 HydrophobicContact CB-CG2 3.46Å; F314-V317 VanDerWaalsContact CB-CG2 3.46Å; F314-V317 HydrophobicContact CG-CG2 4.16Å; F314-I329 HydrophobicContact CD1-CD1 4.27Å; F314-I329 HydrophobicContact CD1-CG2 4.09Å; F314-I329 HydrophobicContact CD2-CD1 4.47Å; F314-I329 HydrophobicContact CE1-CB 4.49Å; F314-I329 HydrophobicContact CE1-CD1 3.5Å; F314-I329 HydrophobicContact CE1-CG2 4.27Å; F314-I329 HydrophobicContact CE2-CD1 3.76Å; F314-I329 HydrophobicContact CG-CG2 4.46Å; F314-I329 HydrophobicContact CZ-CD1 3.21Å; F314-F337 AromaticContact CD1-CD2 3.96Å; F314-F337 HydrophobicContact CD1-CD2 3.96Å; F314-F337 HydrophobicContact CD1-CE2 4.21Å; F314-F337 HydrophobicContact CD1-CG 4.45Å; F314-F337 HydrophobicContact CE1-CB 4.18Å; F314-F337 AromaticContact CE1-CD2 3.96Å; F314-F337 HydrophobicContact CE1-CD2 3.96Å; F314-F337 AromaticContact CE1-CG 4Å; F314-F337 HydrophobicContact CE1-CG 4Å
315D88.3Confident90.6Very high78 Ų7832.2 Ų32.242%0.41718%0.18SC..EExtended strand (participates in β ladder)trans-99.6118.1177-56.3-44.4000108.2V317 T331D315-V317 PolarHBondContact O-N 3.04Å; D315-T331 WeakPolarHBondContact O-CB 3.48Å; D315-T331 VanDerWaalsContact O-CG2 3.3Å; D315-T331 WeakPolarHBondContact O-CG2 3.49Å
316D87.5Confident91Very high63 Ų6331.9 Ų31.934%0.33718%0.179SC..SBendtrans41.571.6173.9-161.110000115.1T331 R332D316-T331 CarbonylContact O-C 3.49Å; D316-T331 WeakPolarHBondContact O-CA 3.47Å; D316-R332 HydrophobicContact CB-CB 4.11Å; D316-R332 PolarHBondContact O-N 3.36Å; D316-R332 IonicContact OD1-NE 3.99Å; D316-R332 VanDerWaalsContact OD2-CB 3.31Å; D316-R332 WeakPolarHBondContact OD2-CB 3.32Å; D316-R332 WeakPolarHBondContact OD2-CD 3.32Å; D316-R332 IonicContact OD2-CZ 3.05Å; D316-R332 IonicContact OD2-NE 3.26Å; D316-R332 PolarHBondContact OD2-NE 3.04Å; D316-R332 VanDerWaalsContact OD2-NE 3.14Å
317V91.9Very high91.2Very high10 Ų1025.3 Ų25.36%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-72129.5176.8179.50000109.8L273 F314 D315 V320 I329 L330 T331L273-V317 HydrophobicContact CD1-CB 4.32Å; L273-V317 HydrophobicContact CD1-CG2 4.09Å; L273-V317 HydrophobicContact CD2-CB 3.81Å; L273-V317 HydrophobicContact CD2-CG1 4.08Å; L273-V317 HydrophobicContact CD2-CG2 4.48Å; F314-V317 HydrophobicContact CB-CG2 3.46Å; F314-V317 VanDerWaalsContact CB-CG2 3.46Å; F314-V317 HydrophobicContact CG-CG2 4.16Å; D315-V317 PolarHBondContact O-N 3.04Å; V317-V320 HydrophobicContact CG1-CG2 4.23Å; V317-I329 HydrophobicContact CB-CG2 4.47Å; V317-I329 HydrophobicContact CG1-CG2 3.79Å; V317-I329 HydrophobicContact CG2-CG2 3.88Å; V317-L330 CarbonylContact C-O 3.38Å; V317-L330 WeakPolarHBondContact CA-O 3.42Å; V317-T331 HydrophobicContact CG2-CG2 4.32Å
318I90.8Very high91.4Very high45 Ų4526.2 Ų26.223%0.23115%0.154CC..EExtended strand (participates in β ladder)trans-80.5-53.8172.4-54.3177.1000109.4I36 L330 R332I36-I318 HydrophobicContact CB-CD1 4.18Å; I36-I318 HydrophobicContact CD1-CD1 4.43Å; I36-I318 HydrophobicContact CG2-CG2 4.46Å; I318-L330 HydrophobicContact CB-CB 4.3Å; I318-L330 PolarHBondContact N-O 2.86Å; I318-R332 HydrophobicContact CG1-CB 4.24Å
319D91.3Very high91.5Very high30 Ų3025.1 Ų25.116%0.1615%0.148CC..EExtended strand (participates in β ladder)trans-159.9162.3-173.9-158-1.4000111.8S39 L262 L321 L330S39-D319 WeakPolarHBondContact OG-CB 3.4Å; S39-D319 VanDerWaalsContact OG-CG 3.31Å; S39-D319 PolarHBondContact OG-OD2 3.01Å; L262-D319 WeakPolarHBondContact CD1-OD1 3.24Å; D319-L321 WeakPolarHBondContact OD2-CD2 3.36Å; D319-L330 PolarHBondContact O-N 2.92Å
320V93.5Very high91.5Very high0 Ų025.1 Ų25.10%015%0.148CC..EExtended strand (participates in β ladder)trans-122.5109.2174.6-1770000108.9L262 F271 L298 V317 Y328 I329L262-V320 HydrophobicContact CD2-CB 4.27Å; L262-V320 HydrophobicContact CD2-CG2 4.18Å; F271-V320 HydrophobicContact CD1-CG1 3.99Å; F271-V320 HydrophobicContact CE1-CG1 4.33Å; L298-V320 HydrophobicContact CD1-CG2 4.21Å; L298-V320 HydrophobicContact CD2-CG2 4.34Å; V317-V320 HydrophobicContact CG1-CG2 4.23Å; V320-Y328 WeakPolarHBondContact CA-O 3.4Å; V320-I329 HydrophobicContact CG1-CG1 4.49Å; V320-I329 HydrophobicContact CG2-CG1 4.41Å
321L92.8Very high91.4Very high5 Ų524.2 Ų24.23%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-105.2146.8-176.3-58.9178.1000111.3V46 D319 F327 Y328 L330V46-L321 HydrophobicContact CB-CD1 4.45Å; V46-L321 HydrophobicContact CG1-CD1 3.54Å; V46-L321 HydrophobicContact CG2-CD1 4.3Å; D319-L321 WeakPolarHBondContact OD2-CD2 3.36Å; L321-F327 CarbonylContact O-C 3.51Å; L321-F327 WeakPolarHBondContact O-CA 3.37Å; L321-Y328 PolarHBondContact N-O 3.32Å; L321-Y328 PolarHBondContact O-N 2.92Å; L321-L330 HydrophobicContact CD1-CD1 3.81Å; L321-L330 HydrophobicContact CG-CD1 4.42Å
322A91.7Very high91.2Very high9 Ų931 Ų317%0.07417%0.166CC..EExtended strand (participates in β ladder)trans-117.2106.1178.400000110S41 H266 F327S41-A322 PolarHBondContact OG-O 3.09Å; H266-A322 HydrophobicContact CB-CB 4.24Å; A322-F327 HydrophobicContact CB-CD1 3.72Å; A322-F327 HydrophobicContact CB-CE1 3.66Å
323E90.4Very high90.8Very high35 Ų3534 Ų3416%0.16418%0.179CC..EExtended strand (participates in β ladder)trans-150.8159.3-179.4-15858.9-138.600110.4G42 G44 V46 G325 S326 Y328G42-E323 VanDerWaalsContact CA-OE2 3.31Å; G42-E323 WeakPolarHBondContact CA-OE2 3.46Å; G42-E323 PolarHBondContact N-OE2 2.86Å; G44-E323 WeakPolarHBondContact CA-OE1 3.42Å; G44-E323 PolarHBondContact N-OE1 2.97Å; V46-E323 HydrophobicContact CG2-CB 4.22Å; E323-G325 PolarHBondContact O-N 3.01Å; E323-S326 PolarHBondContact N-O 2.74Å; E323-S326 PolarHBondContact O-N 3.34Å; E323-Y328 WeakPolarHBondContact O-CE2 3.45Å
324W91.1Very high90.5Very high40 Ų4031.7 Ų31.715%0.15217%0.165CC..THydrogen-bonded Turntrans55.220.6178-44.7-44000115.6G44 V46 M58 T59 R60 L62 Y328G44-W324 VanDerWaalsContact C-NE1 3.34Å; G44-W324 PolarHBondContact O-NE1 3.08Å; V46-W324 HydrophobicContact CB-CH2 4.23Å; V46-W324 HydrophobicContact CG2-CH2 3.73Å; V46-W324 HydrophobicContact CG2-CZ2 4.08Å; V46-W324 HydrophobicContact CG2-CZ3 4.25Å; M58-W324 HydrophobicContact CE-CH2 3.93Å; M58-W324 HydrophobicContact CE-CZ3 4.32Å; M58-W324 HydrophobicContact CG-CH2 4.19Å; T59-W324 WeakPolarHBondContact O-CH2 3.34Å; T59-W324 WeakPolarHBondContact O-CZ2 3.41Å; R60-W324 HydrophobicContact CB-CD2 3.97Å; R60-W324 HydrophobicContact CB-CG 3.99Å; R60-W324 HydrophobicContact CG-CB 4.26Å; R60-W324 HydrophobicContact CG-CD2 4.07Å; R60-W324 HydrophobicContact CG-CG 3.85Å; R60-W324 VanDerWaalsContact N-CZ2 3.34Å; L62-W324 HydrophobicContact CD2-CZ3 4.46Å; W324-Y328 HydrophobicContact CD2-CE2 4.33Å; W324-Y328 HydrophobicContact CE3-CD2 4.29Å; W324-Y328 HydrophobicContact CE3-CE1 4.19Å; W324-Y328 AromaticContact CE3-CE2 3.39Å; W324-Y328 HydrophobicContact CE3-CE2 3.39Å; W324-Y328 AromaticContact CE3-CZ 3.35Å; W324-Y328 VanDerWaalsContact CE3-OH 3.29Å; W324-Y328 HydrophobicContact CZ3-CD2 4.38Å; W324-Y328 HydrophobicContact CZ3-CE1 4.04Å; W324-Y328 AromaticContact CZ3-CE2 3.82Å; W324-Y328 HydrophobicContact CZ3-CE2 3.82Å; W324-Y328 AromaticContact CZ3-CZ 3.65Å
325G87.3Confident90.5Very high39 Ų3935.5 Ų35.540%0.40218%0.182SC..THydrogen-bonded Turntrans77.917.6-178.800000114.5E323E323-G325 PolarHBondContact O-N 3.01Å
326S91.6Very high90.6Very high13 Ų1331.9 Ų31.99%0.09116%0.162CC..EExtended strand (participates in β ladder)trans-140.9168.5175.5-64.60000110.6E323E323-S326 PolarHBondContact N-O 2.74Å; E323-S326 PolarHBondContact O-N 3.34Å
327F93Very high90.9Very high6 Ų630.1 Ų30.13%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-103.7131.8176.6-56-78.4000110.4F15 H266 F271 L321 A322 I338 L339F15-F327 HydrophobicContact CD1-CD2 4.26Å; F15-F327 AromaticContact CE1-CD2 3.64Å; F15-F327 HydrophobicContact CE1-CD2 3.64Å; F15-F327 AromaticContact CE1-CE2 3.49Å; F15-F327 HydrophobicContact CE1-CE2 3.49Å; F15-F327 VanDerWaalsContact CE1-CE2 3.49Å; F15-F327 HydrophobicContact CZ-CD2 4.41Å; F15-F327 AromaticContact CZ-CE2 3.94Å; F15-F327 HydrophobicContact CZ-CE2 3.94Å; H266-F327 HydrophobicContact CB-CE1 3.65Å; H266-F327 HydrophobicContact CB-CZ 4.13Å; H266-F327 AromaticContact CD2-CE1 3.41Å; H266-F327 VanDerWaalsContact CD2-CE1 3.41Å; H266-F327 WeakPolarHBondContact CD2-CE1 3.38Å; H266-F327 AromaticContact CD2-CZ 3.57Å; H266-F327 AromaticContact CG-CE1 3.74Å; F271-F327 HydrophobicContact CE1-CB 4.35Å; F271-F327 AromaticContact CE1-CD1 3.93Å; F271-F327 HydrophobicContact CE1-CD1 3.93Å; F271-F327 HydrophobicContact CE1-CD2 4.11Å; F271-F327 HydrophobicContact CE1-CE1 4.24Å; F271-F327 HydrophobicContact CE1-CE2 4.42Å; F271-F327 AromaticContact CE1-CG 3.85Å; F271-F327 HydrophobicContact CE1-CG 3.85Å; F271-F327 HydrophobicContact CE1-CZ 4.46Å; F271-F327 HydrophobicContact CE2-CD1 4.17Å; F271-F327 AromaticContact CE2-CE1 3.67Å; F271-F327 HydrophobicContact CE2-CE1 3.67Å; F271-F327 HydrophobicContact CE2-CE2 4.33Å; F271-F327 AromaticContact CE2-CZ 3.74Å; F271-F327 HydrophobicContact CE2-CZ 3.74Å; F271-F327 AromaticContact CZ-CD1 3.52Å; F271-F327 HydrophobicContact CZ-CD1 3.52Å; F271-F327 AromaticContact CZ-CD2 3.67Å; F271-F327 HydrophobicContact CZ-CD2 3.67Å; F271-F327 AromaticContact CZ-CE1 3.38Å; F271-F327 HydrophobicContact CZ-CE1 3.38Å; F271-F327 AromaticContact CZ-CE2 3.54Å; F271-F327 HydrophobicContact CZ-CE2 3.54Å; F271-F327 AromaticContact CZ-CG 3.65Å; F271-F327 HydrophobicContact CZ-CG 3.65Å; F271-F327 AromaticContact CZ-CZ 3.37Å; F271-F327 HydrophobicContact CZ-CZ 3.37Å; L321-F327 CarbonylContact O-C 3.51Å; L321-F327 WeakPolarHBondContact O-CA 3.37Å; A322-F327 HydrophobicContact CB-CD1 3.72Å; A322-F327 HydrophobicContact CB-CE1 3.66Å; F327-I338 CarbonylContact O-C 3.51Å; F327-I338 WeakPolarHBondContact O-CA 3.48Å; F327-L339 HydrophobicContact CB-CB 4.16Å; F327-L339 PolarHBondContact N-O 3.04Å; F327-L339 PolarHBondContact O-N 3.49Å
328Y93Very high90.9Very high19 Ų1931 Ų318%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-108.7122.1179.6-67.8-86.3000109.4V20 V320 L321 E323 W324 M336 F337 I338V20-Y328 HydrophobicContact CG2-CD1 4.44Å; V20-Y328 HydrophobicContact CG2-CE1 4.32Å; V320-Y328 WeakPolarHBondContact CA-O 3.4Å; L321-Y328 PolarHBondContact N-O 3.32Å; L321-Y328 PolarHBondContact O-N 2.92Å; E323-Y328 WeakPolarHBondContact O-CE2 3.45Å; W324-Y328 HydrophobicContact CD2-CE2 4.33Å; W324-Y328 HydrophobicContact CE3-CD2 4.29Å; W324-Y328 HydrophobicContact CE3-CE1 4.19Å; W324-Y328 AromaticContact CE3-CE2 3.39Å; W324-Y328 HydrophobicContact CE3-CE2 3.39Å; W324-Y328 AromaticContact CE3-CZ 3.35Å; W324-Y328 VanDerWaalsContact CE3-OH 3.29Å; W324-Y328 HydrophobicContact CZ3-CD2 4.38Å; W324-Y328 HydrophobicContact CZ3-CE1 4.04Å; W324-Y328 AromaticContact CZ3-CE2 3.82Å; W324-Y328 HydrophobicContact CZ3-CE2 3.82Å; W324-Y328 AromaticContact CZ3-CZ 3.65Å; Y328-M336 HydrophobicContact CD1-CE 4.17Å; Y328-M336 HydrophobicContact CD1-CG 4.1Å; Y328-M336 HydrophobicContact CD1-SD 3.86Å; Y328-M336 HydrophobicContact CE1-CE 4.48Å; Y328-F337 CarbonylContact C-O 3.58Å; Y328-F337 WeakPolarHBondContact CA-O 3.35Å; Y328-I338 HydrophobicContact CD1-CB 4.43Å; Y328-I338 HydrophobicContact CD1-CG1 4.49Å; Y328-I338 HydrophobicContact CE1-CB 4.07Å; Y328-I338 HydrophobicContact CE1-CD1 3.89Å; Y328-I338 HydrophobicContact CE1-CG1 3.9Å; Y328-I338 VanDerWaalsContact OH-CD1 3.22Å; Y328-I338 WeakPolarHBondContact OH-CD1 3.44Å
329I93.7Very high91.1Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-104.8118.4177.7-56.3168.7000107.3L298 F314 V317 V320 T331 M336 F337 L339L298-I329 HydrophobicContact CD2-CD1 3.4Å; L298-I329 VanDerWaalsContact CD2-CD1 3.4Å; L298-I329 HydrophobicContact CD2-CG1 4.06Å; F314-I329 HydrophobicContact CD1-CD1 4.27Å; F314-I329 HydrophobicContact CD1-CG2 4.09Å; F314-I329 HydrophobicContact CD2-CD1 4.47Å; F314-I329 HydrophobicContact CE1-CB 4.49Å; F314-I329 HydrophobicContact CE1-CD1 3.5Å; F314-I329 HydrophobicContact CE1-CG2 4.27Å; F314-I329 HydrophobicContact CE2-CD1 3.76Å; F314-I329 HydrophobicContact CG-CG2 4.46Å; F314-I329 HydrophobicContact CZ-CD1 3.21Å; V317-I329 HydrophobicContact CB-CG2 4.47Å; V317-I329 HydrophobicContact CG1-CG2 3.79Å; V317-I329 HydrophobicContact CG2-CG2 3.88Å; V320-I329 HydrophobicContact CG1-CG1 4.49Å; V320-I329 HydrophobicContact CG2-CG1 4.41Å; I329-T331 HydrophobicContact CG2-CG2 4.48Å; I329-M336 WeakPolarHBondContact O-CA 3.3Å; I329-F337 HydrophobicContact CB-CB 4.28Å; I329-F337 PolarHBondContact N-O 2.88Å; I329-F337 PolarHBondContact O-N 3.15Å; I329-L339 HydrophobicContact CD1-CD1 3.71Å; I329-L339 HydrophobicContact CD1-CD2 4.32Å; I329-L339 HydrophobicContact CD1-CG 3.82Å
330L92.6Very high91.2Very high0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-97127.9179.2-50.8179.9000108.8L32 L48 V317 I318 D319 L321 M336L32-L330 HydrophobicContact CD1-CB 4.01Å; L32-L330 HydrophobicContact CD1-CD2 3.66Å; L32-L330 HydrophobicContact CD1-CG 4.36Å; L32-L330 HydrophobicContact CD2-CD2 4.05Å; L32-L330 HydrophobicContact CG-CD2 4.5Å; L48-L330 HydrophobicContact CD2-CD1 3.57Å; V317-L330 CarbonylContact C-O 3.38Å; V317-L330 WeakPolarHBondContact CA-O 3.42Å; I318-L330 HydrophobicContact CB-CB 4.3Å; I318-L330 PolarHBondContact N-O 2.86Å; D319-L330 PolarHBondContact O-N 2.92Å; L321-L330 HydrophobicContact CD1-CD1 3.81Å; L321-L330 HydrophobicContact CG-CD1 4.42Å; L330-M336 HydrophobicContact CD2-CB 4.45Å; L330-M336 HydrophobicContact CD2-CG 3.85Å; L330-M336 HydrophobicContact CD2-SD 3.7Å
331T91.6Very high91.1Very high1 Ų134.8 Ų34.81%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-113.9152177.752.30000111.5D315 D316 V317 I329 D333 G334 K335 F337D315-T331 WeakPolarHBondContact O-CB 3.48Å; D315-T331 VanDerWaalsContact O-CG2 3.3Å; D315-T331 WeakPolarHBondContact O-CG2 3.49Å; D316-T331 CarbonylContact O-C 3.49Å; D316-T331 WeakPolarHBondContact O-CA 3.47Å; V317-T331 HydrophobicContact CG2-CG2 4.32Å; I329-T331 HydrophobicContact CG2-CG2 4.48Å; T331-D333 VanDerWaalsContact CB-OD1 3.25Å; T331-D333 WeakPolarHBondContact CB-OD1 3.4Å; T331-D333 PolarHBondContact O-N 2.78Å; T331-D333 PolarHBondContact OG1-OD1 2.92Å; T331-G334 PolarHBondContact O-N 2.9Å; T331-K335 PolarHBondContact N-O 3.37Å; T331-K335 WeakPolarHBondContact OG1-CB 3.48Å; T331-K335 PolarHBondContact OG1-O 3.04Å; T331-F337 HydrophobicContact CG2-CD2 4.22Å; T331-F337 HydrophobicContact CG2-CE2 3.92Å
332R87.9Confident91.1Very high172 Ų17236.4 Ų36.465%0.64918%0.178SC*.THydrogen-bonded Turntrans-66.3-22.4-175.1-164.9170.7-60.8-157.1-6.2113.8D316 I318 G334D316-R332 HydrophobicContact CB-CB 4.11Å; D316-R332 PolarHBondContact O-N 3.36Å; D316-R332 IonicContact OD1-NE 3.99Å; D316-R332 VanDerWaalsContact OD2-CB 3.31Å; D316-R332 WeakPolarHBondContact OD2-CB 3.32Å; D316-R332 WeakPolarHBondContact OD2-CD 3.32Å; D316-R332 IonicContact OD2-CZ 3.05Å; D316-R332 IonicContact OD2-NE 3.26Å; D316-R332 PolarHBondContact OD2-NE 3.04Å; D316-R332 VanDerWaalsContact OD2-NE 3.14Å; I318-R332 HydrophobicContact CG1-CB 4.24Å; R332-G334 PolarHBondContact O-N 2.83Å
333D85Confident91Very high85 Ų8540.1 Ų40.146%0.45520%0.197SC..THydrogen-bonded Turntrans-72.81.5171.973.3-18.2000113.6T331 K335T331-D333 VanDerWaalsContact CB-OD1 3.25Å; T331-D333 WeakPolarHBondContact CB-OD1 3.4Å; T331-D333 PolarHBondContact O-N 2.78Å; T331-D333 PolarHBondContact OG1-OD1 2.92Å; D333-K335 PolarHBondContact OD1-N 3.36Å; D333-K335 VanDerWaalsContact OD2-CD 3.27Å; D333-K335 WeakPolarHBondContact OD2-CD 3.01Å; D333-K335 VanDerWaalsContact OD2-CE 3.24Å; D333-K335 WeakPolarHBondContact OD2-CE 3.3Å; D333-K335 IonicContact OD2-NZ 2.94Å; D333-K335 PolarHBondContact OD2-NZ 3.4Å
334G84.9Confident90.8Very high12 Ų1240.3 Ų40.312%0.12420%0.201CC..SBendtrans85.95.7176.300000114I31 L32 T331 R332I31-G334 WeakPolarHBondContact CA-O 3.25Å; L32-G334 PolarHBondContact N-O 2.94Å; T331-G334 PolarHBondContact O-N 2.9Å; R332-G334 PolarHBondContact O-N 2.83Å
335K89.8Confident90.6Very high84 Ų8444.6 Ų44.637%0.36522%0.222SC..  trans-82.6154174.5-61.2179-171.2128.40111.1L32 T331 D333 F337L32-K335 WeakPolarHBondContact CD1-O 3.29Å; T331-K335 PolarHBondContact N-O 3.37Å; T331-K335 WeakPolarHBondContact OG1-CB 3.48Å; T331-K335 PolarHBondContact OG1-O 3.04Å; D333-K335 PolarHBondContact OD1-N 3.36Å; D333-K335 VanDerWaalsContact OD2-CD 3.27Å; D333-K335 WeakPolarHBondContact OD2-CD 3.01Å; D333-K335 VanDerWaalsContact OD2-CE 3.24Å; D333-K335 WeakPolarHBondContact OD2-CE 3.3Å; D333-K335 IonicContact OD2-NZ 2.94Å; D333-K335 PolarHBondContact OD2-NZ 3.4Å; K335-F337 HydrophobicContact CB-CE2 4.14Å; K335-F337 HydrophobicContact CB-CZ 4.34Å; K335-F337 HydrophobicContact CD-CZ 4.25Å
336M91.5Very high90.7Very high1 Ų145 Ų451%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.5130172.3-174.3165.970.500109.2V20 F30 L32 M58 L62 Y328 I329 L330V20-M336 HydrophobicContact CB-CB 4.28Å; V20-M336 HydrophobicContact CB-CE 3.91Å; V20-M336 HydrophobicContact CB-CG 4.45Å; V20-M336 WeakPolarHBondContact CB-O 3.38Å; V20-M336 HydrophobicContact CG1-CE 3.65Å; V20-M336 HydrophobicContact CG2-CB 4.24Å; V20-M336 HydrophobicContact CG2-CE 3.8Å; V20-M336 HydrophobicContact CG2-CG 3.93Å; V20-M336 WeakPolarHBondContact CG2-O 3.38Å; V20-M336 PolarHBondContact N-O 3.28Å; F30-M336 HydrophobicContact CD1-CE 3.81Å; F30-M336 HydrophobicContact CE1-CE 3.96Å; L32-M336 HydrophobicContact CD1-CB 4.2Å; L32-M336 HydrophobicContact CD2-SD 4.19Å; L32-M336 HydrophobicContact CG-CB 4.32Å; M58-M336 HydrophobicContact CE-CE 3.61Å; M58-M336 HydrophobicContact CE-SD 3.51Å; M58-M336 VanDerWaalsContact CE-SD 3.51Å; M58-M336 HydrophobicContact SD-CE 3.95Å; M58-M336 HydrophobicContact SD-SD 4.43Å; L62-M336 HydrophobicContact CD2-CE 3.77Å; Y328-M336 HydrophobicContact CD1-CE 4.17Å; Y328-M336 HydrophobicContact CD1-CG 4.1Å; Y328-M336 HydrophobicContact CD1-SD 3.86Å; Y328-M336 HydrophobicContact CE1-CE 4.48Å; I329-M336 WeakPolarHBondContact O-CA 3.3Å; L330-M336 HydrophobicContact CD2-CB 4.45Å; L330-M336 HydrophobicContact CD2-CG 3.85Å; L330-M336 HydrophobicContact CD2-SD 3.7Å
337F93Very high90.6Very high26 Ų2644.5 Ų44.511%0.11421%0.213CC..EExtended strand (participates in β ladder)trans-110.3144.3174.2-57.9-86000109.9D18 T19 F314 Y328 I329 T331 K335D18-F337 CarbonylContact O-C 3.6Å; D18-F337 WeakPolarHBondContact O-CA 3.32Å; T19-F337 HydrophobicContact CG2-CD1 4.39Å; T19-F337 HydrophobicContact CG2-CE1 4.22Å; T19-F337 WeakPolarHBondContact OG1-CE1 3.47Å; F314-F337 AromaticContact CD1-CD2 3.96Å; F314-F337 HydrophobicContact CD1-CD2 3.96Å; F314-F337 HydrophobicContact CD1-CE2 4.21Å; F314-F337 HydrophobicContact CD1-CG 4.45Å; F314-F337 HydrophobicContact CE1-CB 4.18Å; F314-F337 AromaticContact CE1-CD2 3.96Å; F314-F337 HydrophobicContact CE1-CD2 3.96Å; F314-F337 AromaticContact CE1-CG 4Å; F314-F337 HydrophobicContact CE1-CG 4Å; Y328-F337 CarbonylContact C-O 3.58Å; Y328-F337 WeakPolarHBondContact CA-O 3.35Å; I329-F337 HydrophobicContact CB-CB 4.28Å; I329-F337 PolarHBondContact N-O 2.88Å; I329-F337 PolarHBondContact O-N 3.15Å; T331-F337 HydrophobicContact CG2-CD2 4.22Å; T331-F337 HydrophobicContact CG2-CE2 3.92Å; K335-F337 HydrophobicContact CB-CE2 4.14Å; K335-F337 HydrophobicContact CB-CZ 4.34Å; K335-F337 HydrophobicContact CD-CZ 4.25Å
338I93.4Very high90.4Very high29 Ų2944.9 Ų44.915%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-106.9130.7171.5-170.9175.3000108.8D18 V20 F327 Y328D18-I338 HydrophobicContact CB-CG2 3.76Å; D18-I338 PolarHBondContact N-O 3.27Å; D18-I338 PolarHBondContact O-N 3.45Å; V20-I338 HydrophobicContact CG2-CB 4.06Å; V20-I338 HydrophobicContact CG2-CG2 4.27Å; F327-I338 CarbonylContact O-C 3.51Å; F327-I338 WeakPolarHBondContact O-CA 3.48Å; Y328-I338 HydrophobicContact CD1-CB 4.43Å; Y328-I338 HydrophobicContact CD1-CG1 4.49Å; Y328-I338 HydrophobicContact CE1-CB 4.07Å; Y328-I338 HydrophobicContact CE1-CD1 3.89Å; Y328-I338 HydrophobicContact CE1-CG1 3.9Å; Y328-I338 VanDerWaalsContact OH-CD1 3.22Å; Y328-I338 WeakPolarHBondContact OH-CD1 3.44Å
339L94.3Very high90.1Very high0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-104.6111.1165.2-58.3-176.8000108.5F15 D16 K17 L298 I300 Y310 F327 I329F15-L339 HydrophobicContact CB-CB 4.39Å; F15-L339 HydrophobicContact CD1-CB 4.11Å; D16-L339 WeakPolarHBondContact O-CA 3.25Å; K17-L339 HydrophobicContact CB-CD2 3.67Å; K17-L339 HydrophobicContact CG-CD2 4.05Å; L298-L339 HydrophobicContact CD2-CD1 4.13Å; I300-L339 HydrophobicContact CD1-CD1 3.83Å; Y310-L339 HydrophobicContact CD1-CD1 4Å; Y310-L339 HydrophobicContact CE1-CD1 3.85Å; Y310-L339 HydrophobicContact CE1-CD2 3.79Å; F327-L339 HydrophobicContact CB-CB 4.16Å; F327-L339 PolarHBondContact N-O 3.04Å; F327-L339 PolarHBondContact O-N 3.49Å; I329-L339 HydrophobicContact CD1-CD1 3.71Å; I329-L339 HydrophobicContact CD1-CD2 4.32Å; I329-L339 HydrophobicContact CD1-CG 3.82Å
340Q92.7Very high89.8Confident108 Ų10850 Ų5051%0.50524%0.24SC..EExtended strand (participates in β ladder)trans-98.3124.6176.7-171.4170.6-8.300109.5F15 D16F15-Q340 VanDerWaalsContact CA-O 3.3Å; F15-Q340 WeakPolarHBondContact CA-O 3.46Å; D16-Q340 PolarHBondContact N-O 3.28Å; D16-Q340 PolarHBondContact O-N 3.36Å
341E91.8Very high89.5Confident46 Ų4650 Ų5022%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-71.3132.3176.1-164.9176.8-178.500110.3F15 Y269 K347F15-E341 HydrophobicContact CD1-CB 4Å; F15-E341 HydrophobicContact CD1-CG 4.39Å; F15-E341 HydrophobicContact CE1-CB 3.54Å; F15-E341 HydrophobicContact CE1-CG 3.77Å; F15-E341 HydrophobicContact CZ-CB 4.16Å; F15-E341 HydrophobicContact CZ-CG 3.86Å; Y269-E341 VanDerWaalsContact CE2-OE1 3.25Å; Y269-E341 WeakPolarHBondContact CE2-OE1 3.26Å; Y269-E341 PolarHBondContact OH-OE1 3.44Å; E341-K347 VanDerWaalsContact CG-NZ 3.29Å; E341-K347 IonicContact OE1-NZ 2.84Å; E341-K347 PolarHBondContact OE1-NZ 2.84Å
342K91.9Very high89.3Confident39 Ų3951.7 Ų51.717%0.1725%0.248CC..PPolyproline II helixtrans-64.8149.9172.8-70.8179.9176.6159.70110.9V13 F14 D16 T346 K347 M350V13-K342 PolarHBondContact O-NZ 3.01Å; F14-K342 PolarHBondContact O-N 2.89Å; D16-K342 WeakPolarHBondContact OD1-CE 3.34Å; D16-K342 IonicContact OD1-NZ 2.83Å; D16-K342 PolarHBondContact OD1-NZ 2.58Å; D16-K342 WeakPolarHBondContact OD2-CE 3.45Å; D16-K342 IonicContact OD2-NZ 3.37Å; K342-T346 HydrophobicContact CD-CG2 4.05Å; K342-K347 HydrophobicContact CB-CG 4.16Å; K342-K347 WeakPolarHBondContact O-CE 3.24Å; K342-K347 PolarHBondContact O-NZ 2.86Å; K342-M350 HydrophobicContact CD-SD 4.12Å
343D89.8Confident89.2Confident88 Ų8851.5 Ų51.547%0.47125%0.252SS..PPolyproline II helixtrans-62.2154.4171.866.9-75.8000111.3Q345 T346 K347D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 2.65Å; D343-Q345 WeakPolarHBondContact OD2-CB 3.45Å; D343-Q345 PolarHBondContact OD2-N 3.01Å; D343-T346 VanDerWaalsContact CG-OG1 3.23Å; D343-T346 PolarHBondContact O-N 3.18Å; D343-T346 WeakPolarHBondContact OD1-CB 3.47Å; D343-T346 PolarHBondContact OD1-OG1 3.19Å; D343-T346 PolarHBondContact OD2-N 2.58Å; D343-T346 PolarHBondContact OD2-OG1 3.45Å; D343-K347 WeakPolarHBondContact O-CG 3.42Å; D343-K347 PolarHBondContact O-N 2.93Å; D343-K347 VanDerWaalsContact O-N 3.1Å
344T86.8Confident89.2Confident39 Ų3953 Ų5324%0.23925%0.254CS..Hα-helixtrans-58.8-37.8-176.4-51.90000112.7K347 L348 Q367 L369T344-K347 PolarHBondContact O-N 2.84Å; T344-L348 HydrophobicContact CG2-CD1 4.12Å; T344-L348 HydrophobicContact CG2-CG 4.38Å; T344-L348 VanDerWaalsContact O-CG 3.31Å; T344-L348 WeakPolarHBondContact O-CG 3.4Å; T344-L348 PolarHBondContact O-N 2.98Å; T344-Q367 VanDerWaalsContact CB-OE1 3.24Å; T344-Q367 PolarHBondContact OG1-OE1 3.38Å; T344-L369 HydrophobicContact CG2-CD1 3.48Å; T344-L369 VanDerWaalsContact CG2-CD1 3.48Å
345Q87.4Confident89.2Confident129 Ų12956.6 Ų56.660%0.60327%0.27SS*.Hα-helixtrans-66.1-47.8-179-177.6177.4-17.400110.8D343 K347 L348 E349D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 2.65Å; D343-Q345 WeakPolarHBondContact OD2-CB 3.45Å; D343-Q345 PolarHBondContact OD2-N 3.01Å; Q345-K347 VanDerWaalsContact C-N 3.28Å; Q345-K347 PolarHBondContact O-N 3.2Å; Q345-L348 PolarHBondContact O-N 2.98Å; Q345-L348 VanDerWaalsContact O-N 3.13Å; Q345-E349 PolarHBondContact NE2-OE1 3.41Å; Q345-E349 WeakPolarHBondContact O-CG 3.31Å; Q345-E349 PolarHBondContact O-N 3.35Å
346T89.4Confident89Confident48 Ų4854 Ų5429%0.29426%0.261SS..Hα-helixtrans-58.3-41.2174.8-60.80000111.5K342 D343 E349 M350K342-T346 HydrophobicContact CD-CG2 4.05Å; D343-T346 VanDerWaalsContact CG-OG1 3.23Å; D343-T346 PolarHBondContact O-N 3.18Å; D343-T346 WeakPolarHBondContact OD1-CB 3.47Å; D343-T346 PolarHBondContact OD1-OG1 3.19Å; D343-T346 PolarHBondContact OD2-N 2.58Å; D343-T346 PolarHBondContact OD2-OG1 3.45Å; T346-E349 PolarHBondContact O-N 2.76Å; T346-M350 HydrophobicContact CG2-SD 4.46Å; T346-M350 VanDerWaalsContact O-CG 3.26Å; T346-M350 WeakPolarHBondContact O-CG 3.32Å; T346-M350 PolarHBondContact O-N 2.61Å
347K89.1Confident88.7Confident3 Ų354.6 Ų54.61%0.01326%0.263CS..Hα-helixtrans-61.4-47.3174.7-66.1176.3-173.8145.30111.6F14 E341 K342 D343 T344 Q345 E349 M350 L351 L363F14-K347 HydrophobicContact CB-CD 4.35Å; F14-K347 HydrophobicContact CB-CG 4.35Å; F14-K347 HydrophobicContact CD1-CB 4.16Å; F14-K347 HydrophobicContact CD1-CD 4.31Å; F14-K347 HydrophobicContact CD1-CG 3.68Å; F14-K347 HydrophobicContact CD2-CD 4.05Å; F14-K347 HydrophobicContact CD2-CG 4.31Å; F14-K347 HydrophobicContact CE1-CB 3.88Å; F14-K347 HydrophobicContact CE1-CG 3.94Å; F14-K347 HydrophobicContact CE2-CD 4.38Å; F14-K347 HydrophobicContact CG-CD 4.01Å; F14-K347 HydrophobicContact CG-CG 3.88Å; F14-K347 HydrophobicContact CZ-CB 4.13Å; F14-K347 HydrophobicContact CZ-CG 4.37Å; E341-K347 VanDerWaalsContact CG-NZ 3.29Å; E341-K347 IonicContact OE1-NZ 2.84Å; E341-K347 PolarHBondContact OE1-NZ 2.84Å; K342-K347 HydrophobicContact CB-CG 4.16Å; K342-K347 WeakPolarHBondContact O-CE 3.24Å; K342-K347 PolarHBondContact O-NZ 2.86Å; D343-K347 WeakPolarHBondContact O-CG 3.42Å; D343-K347 PolarHBondContact O-N 2.93Å; D343-K347 VanDerWaalsContact O-N 3.1Å; T344-K347 PolarHBondContact O-N 2.84Å; Q345-K347 VanDerWaalsContact C-N 3.28Å; Q345-K347 PolarHBondContact O-N 3.2Å; K347-E349 PolarHBondContact O-N 3.36Å; K347-M350 WeakPolarHBondContact O-CB 3.2Å; K347-M350 PolarHBondContact O-N 3.47Å; K347-L351 WeakPolarHBondContact O-CG 3.12Å; K347-L351 PolarHBondContact O-N 3.37Å; K347-L363 HydrophobicContact CB-CD2 3.95Å; K347-L363 HydrophobicContact CD-CD2 4.35Å
348L88.1Confident88.4Confident13 Ų1357.4 Ų57.47%0.06828%0.282CS..Hα-helixtrans-60.8-43.6177.9-71172000111.4T344 Q345 M350 L351 F352 A360 L363 A364 L369 I377T344-L348 HydrophobicContact CG2-CD1 4.12Å; T344-L348 HydrophobicContact CG2-CG 4.38Å; T344-L348 VanDerWaalsContact O-CG 3.31Å; T344-L348 WeakPolarHBondContact O-CG 3.4Å; T344-L348 PolarHBondContact O-N 2.98Å; Q345-L348 PolarHBondContact O-N 2.98Å; Q345-L348 VanDerWaalsContact O-N 3.13Å; L348-M350 VanDerWaalsContact C-N 3.33Å; L348-M350 PolarHBondContact O-N 3.12Å; L348-L351 CarbonylContact O-C 3.59Å; L348-L351 WeakPolarHBondContact O-CA 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.39Å; L348-L351 PolarHBondContact O-N 2.82Å; L348-F352 HydrophobicContact CB-CD2 4.46Å; L348-F352 HydrophobicContact CB-CE2 3.95Å; L348-F352 HydrophobicContact CB-CZ 4.34Å; L348-F352 WeakPolarHBondContact O-CD2 3.39Å; L348-F352 VanDerWaalsContact O-CG 3.22Å; L348-F352 WeakPolarHBondContact O-CG 3.29Å; L348-F352 PolarHBondContact O-N 3.21Å; L348-A360 HydrophobicContact CD2-CB 3.82Å; L348-A360 WeakPolarHBondContact CD2-O 3.29Å; L348-L363 HydrophobicContact CD2-CD2 4.47Å; L348-A364 HydrophobicContact CD2-CB 4.5Å; L348-L369 HydrophobicContact CD1-CD2 4.06Å; L348-I377 HydrophobicContact CD1-CD1 4.22Å; L348-I377 HydrophobicContact CD2-CD1 4.16Å
349E87.3Confident87.9Confident80 Ų8057.2 Ų57.237%0.37428%0.281SS..Hα-helixtrans-59.8-41.1174.7-72.5179.8-165.200112.6Q345 T346 K347 L351 F352 K353Q345-E349 PolarHBondContact NE2-OE1 3.41Å; Q345-E349 WeakPolarHBondContact O-CG 3.31Å; Q345-E349 PolarHBondContact O-N 3.35Å; T346-E349 PolarHBondContact O-N 2.76Å; K347-E349 PolarHBondContact O-N 3.36Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.88Å; E349-F352 PolarHBondContact O-N 2.91Å; E349-K353 WeakPolarHBondContact O-CB 3.17Å; E349-K353 WeakPolarHBondContact O-CG 3.37Å; E349-K353 PolarHBondContact O-N 2.85Å
350M87.8Confident87.6Confident47 Ų4757.2 Ų57.223%0.23228%0.281CS..Hα-helixtrans-61.7-36.1173.5-70.4175.572.400112V13 F14 K342 T346 K347 L348 K354V13-M350 HydrophobicContact CB-CE 4.43Å; F14-M350 HydrophobicContact CD1-SD 4.29Å; F14-M350 HydrophobicContact CE1-SD 4.42Å; K342-M350 HydrophobicContact CD-SD 4.12Å; T346-M350 HydrophobicContact CG2-SD 4.46Å; T346-M350 VanDerWaalsContact O-CG 3.26Å; T346-M350 WeakPolarHBondContact O-CG 3.32Å; T346-M350 PolarHBondContact O-N 2.61Å; K347-M350 WeakPolarHBondContact O-CB 3.2Å; K347-M350 PolarHBondContact O-N 3.47Å; L348-M350 VanDerWaalsContact C-N 3.33Å; L348-M350 PolarHBondContact O-N 3.12Å; M350-K354 PolarHBondContact O-N 3.2Å
351L87.1Confident87.2Confident0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-73.1-40.8176.4-64.4-173.8000112.2F12 F14 K347 L348 E349 K354 N355 L356 M359 A360 L363F12-L351 HydrophobicContact CD1-CD2 3.88Å; F12-L351 HydrophobicContact CE1-CD2 3.53Å; F12-L351 HydrophobicContact CZ-CD2 3.98Å; F14-L351 HydrophobicContact CZ-CD1 4.44Å; F14-L351 HydrophobicContact CZ-CD2 4.01Å; F14-L351 HydrophobicContact CZ-CG 4.23Å; K347-L351 WeakPolarHBondContact O-CG 3.12Å; K347-L351 PolarHBondContact O-N 3.37Å; L348-L351 CarbonylContact O-C 3.59Å; L348-L351 WeakPolarHBondContact O-CA 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.39Å; L348-L351 PolarHBondContact O-N 2.82Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.88Å; L351-K354 CarbonylContact O-C 3.54Å; L351-K354 PolarHBondContact O-N 3.28Å; L351-K354 VanDerWaalsContact O-N 3.17Å; L351-N355 PolarHBondContact O-N 3.07Å; L351-N355 VanDerWaalsContact O-N 3.14Å; L351-L356 PolarHBondContact O-N 3.42Å; L351-M359 HydrophobicContact CD1-CE 4.07Å; L351-M359 HydrophobicContact CD1-CG 4.45Å; L351-M359 HydrophobicContact CD2-CE 3.2Å; L351-M359 HydrophobicContact CG-CE 4.2Å; L351-A360 HydrophobicContact CB-CB 4.09Å; L351-A360 HydrophobicContact CD1-CB 3.97Å; L351-L363 HydrophobicContact CD1-CD2 3.83Å
352F86.6Confident86.9Confident36 Ų3653.8 Ų53.816%0.15827%0.267CS..Hα-helixtrans-63.3-43.4176.2-63.2-39000112L348 E349 K354 N355 F357 A360 I377L348-F352 HydrophobicContact CB-CD2 4.46Å; L348-F352 HydrophobicContact CB-CE2 3.95Å; L348-F352 HydrophobicContact CB-CZ 4.34Å; L348-F352 WeakPolarHBondContact O-CD2 3.39Å; L348-F352 VanDerWaalsContact O-CG 3.22Å; L348-F352 WeakPolarHBondContact O-CG 3.29Å; L348-F352 PolarHBondContact O-N 3.21Å; E349-F352 PolarHBondContact O-N 2.91Å; F352-K354 PolarHBondContact O-N 2.83Å; F352-K354 VanDerWaalsContact O-N 3.16Å; F352-N355 PolarHBondContact O-N 2.97Å; F352-F357 AromaticContact CD1-CD1 3.71Å; F352-F357 HydrophobicContact CD1-CD1 3.71Å; F352-F357 AromaticContact CD1-CE1 3.51Å; F352-F357 HydrophobicContact CD1-CE1 3.51Å; F352-F357 HydrophobicContact CD1-CZ 4.44Å; F352-F357 AromaticContact CE1-CD1 3.85Å; F352-F357 HydrophobicContact CE1-CD1 3.85Å; F352-F357 AromaticContact CE1-CE1 3.95Å; F352-F357 HydrophobicContact CE1-CE1 3.95Å; F352-F357 HydrophobicContact CG-CE1 4.44Å; F352-A360 HydrophobicContact CD1-CB 4.46Å; F352-A360 HydrophobicContact CE1-CB 4.04Å; F352-I377 HydrophobicContact CE1-CG1 4.29Å; F352-I377 HydrophobicContact CE1-CG2 4.19Å; F352-I377 HydrophobicContact CZ-CB 4.4Å; F352-I377 HydrophobicContact CZ-CG1 3.75Å; F352-I377 HydrophobicContact CZ-CG2 4.46Å
353K85.9Confident86.6Confident169 Ų16951.9 Ų51.974%0.73526%0.259SS*.Hα-helixtrans-58.5-28.5174.5-74.9175.1-176171.60112.9E349E349-K353 WeakPolarHBondContact O-CB 3.17Å; E349-K353 WeakPolarHBondContact O-CG 3.37Å; E349-K353 PolarHBondContact O-N 2.85Å
354K85.3Confident86.4Confident115 Ų11547.7 Ų47.750%0.524%0.237SC..THydrogen-bonded Turntrans-94.55.2176.2-67.8-175176.3-173.60113.6F12 M350 L351 F352 L356F12-K354 HydrophobicContact CE1-CD 4.06Å; M350-K354 PolarHBondContact O-N 3.2Å; L351-K354 CarbonylContact O-C 3.54Å; L351-K354 PolarHBondContact O-N 3.28Å; L351-K354 VanDerWaalsContact O-N 3.17Å; F352-K354 PolarHBondContact O-N 2.83Å; F352-K354 VanDerWaalsContact O-N 3.16Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 HydrophobicContact CB-CD1 4.08Å; K354-L356 HydrophobicContact CB-CG 3.88Å; K354-L356 WeakPolarHBondContact O-CG 3.28Å; K354-L356 PolarHBondContact O-N 3.04Å
355N84.3Confident86.2Confident88 Ų8851.2 Ų51.247%0.47125%0.249SC..THydrogen-bonded Turntrans57.433.2-176.1-56-54.5000114.3L351 F352 F357 H384L351-N355 PolarHBondContact O-N 3.07Å; L351-N355 VanDerWaalsContact O-N 3.14Å; F352-N355 PolarHBondContact O-N 2.97Å; N355-F357 HydrophobicContact CB-CE2 4.18Å; N355-F357 PolarHBondContact O-N 3.46Å; N355-H384 VanDerWaalsContact CG-CE1 3.43Å; N355-H384 PolarHBondContact OD1-CE1 3.39Å; N355-H384 PolarHBondContact OD1-ND1 2.95Å
356L85.3Confident85.7Confident31 Ų3147.4 Ų47.416%0.16224%0.237CC..  trans-99.456.9-175.6-56.8-173.2000113F12 L351 K354 V358 M359 A360F12-L356 HydrophobicContact CE1-CD1 3.92Å; F12-L356 HydrophobicContact CZ-CD1 3.67Å; L351-L356 PolarHBondContact O-N 3.42Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 HydrophobicContact CB-CD1 4.08Å; K354-L356 HydrophobicContact CB-CG 3.88Å; K354-L356 WeakPolarHBondContact O-CG 3.28Å; K354-L356 PolarHBondContact O-N 3.04Å; L356-V358 PolarHBondContact O-N 3.35Å; L356-M359 HydrophobicContact CB-CE 3.69Å; L356-M359 HydrophobicContact CD1-CE 3.47Å; L356-M359 VanDerWaalsContact CD1-CE 3.47Å; L356-M359 HydrophobicContact CG-CE 4.21Å; L356-M359 PolarHBondContact O-N 3.18Å; L356-A360 PolarHBondContact O-N 3.46Å
357F85.9Confident85.2Confident13 Ų1347.8 Ų47.86%0.05724%0.235CC..Hα-helixtrans-62.8-38.8-172.4-64.3-82.5000114.7F352 N355 M359 A360 I361 Q380 Y381 H384F352-F357 AromaticContact CD1-CD1 3.71Å; F352-F357 HydrophobicContact CD1-CD1 3.71Å; F352-F357 AromaticContact CD1-CE1 3.51Å; F352-F357 HydrophobicContact CD1-CE1 3.51Å; F352-F357 HydrophobicContact CD1-CZ 4.44Å; F352-F357 AromaticContact CE1-CD1 3.85Å; F352-F357 HydrophobicContact CE1-CD1 3.85Å; F352-F357 AromaticContact CE1-CE1 3.95Å; F352-F357 HydrophobicContact CE1-CE1 3.95Å; F352-F357 HydrophobicContact CG-CE1 4.44Å; N355-F357 HydrophobicContact CB-CE2 4.18Å; N355-F357 PolarHBondContact O-N 3.46Å; F357-M359 VanDerWaalsContact C-N 3.3Å; F357-M359 PolarHBondContact O-N 2.92Å; F357-A360 WeakPolarHBondContact O-CB 3.31Å; F357-A360 PolarHBondContact O-N 3.41Å; F357-A360 VanDerWaalsContact O-N 3.15Å; F357-I361 WeakPolarHBondContact O-CG1 3.48Å; F357-I361 PolarHBondContact O-N 3.01Å; F357-Q380 HydrophobicContact CE1-CB 4.02Å; F357-Y381 HydrophobicContact CB-CD1 4.15Å; F357-Y381 HydrophobicContact CB-CD2 3.34Å; F357-Y381 HydrophobicContact CB-CE2 3.87Å; F357-Y381 HydrophobicContact CB-CG 3.52Å; F357-Y381 HydrophobicContact CD1-CD2 4.21Å; F357-Y381 HydrophobicContact CD1-CG 4.27Å; F357-Y381 AromaticContact CD2-CD2 3.6Å; F357-Y381 HydrophobicContact CD2-CD2 3.6Å; F357-Y381 HydrophobicContact CD2-CE2 4.19Å; F357-Y381 HydrophobicContact CD2-CG 4.43Å; F357-Y381 HydrophobicContact CE2-CD2 4.47Å; F357-Y381 AromaticContact CG-CD2 3.45Å; F357-Y381 HydrophobicContact CG-CD2 3.45Å; F357-Y381 VanDerWaalsContact CG-CD2 3.45Å; F357-Y381 HydrophobicContact CG-CE2 4.26Å; F357-Y381 AromaticContact CG-CG 3.83Å; F357-Y381 HydrophobicContact CG-CG 3.83Å; F357-H384 HydrophobicContact CE2-CB 3.66Å; F357-H384 AromaticContact CE2-CD2 3.87Å; F357-H384 AromaticContact CE2-CG 3.51Å; F357-H384 AromaticContact CE2-ND1 3.86Å; F357-H384 HydrophobicContact CZ-CB 3.79Å
358V85.6Confident84.6Confident85 Ų8555.5 Ų55.552%0.51527%0.271SS..Hα-helixtrans-60.8-42.4179.5177.80000111.4L356 I361 N362L356-V358 PolarHBondContact O-N 3.35Å; V358-I361 PolarHBondContact O-N 2.93Å; V358-N362 PolarHBondContact O-N 3.16Å
359M83.8Confident84.1Confident24 Ų2457.3 Ų57.312%0.11828%0.28CS..Hα-helixtrans-75.2-30.2178-174.9-178.452.700111.5F12 F307 L351 L356 F357 I361 N362 L363F12-M359 HydrophobicContact CE1-CE 4.03Å; F12-M359 HydrophobicContact CE2-CE 3.66Å; F12-M359 HydrophobicContact CE2-SD 3.69Å; F12-M359 HydrophobicContact CZ-CE 3.31Å; F12-M359 HydrophobicContact CZ-SD 3.97Å; F307-M359 HydrophobicContact CB-SD 4.17Å; F307-M359 HydrophobicContact CD1-CG 4.1Å; F307-M359 HydrophobicContact CD1-SD 3.66Å; F307-M359 HydrophobicContact CE1-CG 4.46Å; F307-M359 HydrophobicContact CE1-SD 4.44Å; F307-M359 HydrophobicContact CG-SD 4.17Å; L351-M359 HydrophobicContact CD1-CE 4.07Å; L351-M359 HydrophobicContact CD1-CG 4.45Å; L351-M359 HydrophobicContact CD2-CE 3.2Å; L351-M359 HydrophobicContact CG-CE 4.2Å; L356-M359 HydrophobicContact CB-CE 3.69Å; L356-M359 HydrophobicContact CD1-CE 3.47Å; L356-M359 VanDerWaalsContact CD1-CE 3.47Å; L356-M359 HydrophobicContact CG-CE 4.21Å; L356-M359 PolarHBondContact O-N 3.18Å; F357-M359 VanDerWaalsContact C-N 3.3Å; F357-M359 PolarHBondContact O-N 2.92Å; M359-I361 VanDerWaalsContact C-N 3.33Å; M359-N362 PolarHBondContact O-N 3.14Å; M359-L363 VanDerWaalsContact O-CB 3.25Å; M359-L363 WeakPolarHBondContact O-CB 3.28Å; M359-L363 PolarHBondContact O-N 3.46Å
360A86.9Confident83.7Confident0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-62.4-39.9169.500000111.8L348 L351 F352 L356 F357 A364 I377L348-A360 HydrophobicContact CD2-CB 3.82Å; L348-A360 WeakPolarHBondContact CD2-O 3.29Å; L351-A360 HydrophobicContact CB-CB 4.09Å; L351-A360 HydrophobicContact CD1-CB 3.97Å; F352-A360 HydrophobicContact CD1-CB 4.46Å; F352-A360 HydrophobicContact CE1-CB 4.04Å; L356-A360 PolarHBondContact O-N 3.46Å; F357-A360 WeakPolarHBondContact O-CB 3.31Å; F357-A360 PolarHBondContact O-N 3.41Å; F357-A360 VanDerWaalsContact O-N 3.15Å; A360-A364 VanDerWaalsContact O-CB 3.29Å; A360-A364 WeakPolarHBondContact O-CB 3.44Å; A360-A364 PolarHBondContact O-N 3.34Å; A360-I377 HydrophobicContact CB-CG2 4.48Å
361I86.3Confident83.2Confident11 Ų1160.7 Ų60.76%0.05631%0.308CS..Hα-helixtrans-63.8-46.4174-66.2160.1000110.6F357 V358 M359 A364 K365 I377 F378 Y381F357-I361 WeakPolarHBondContact O-CG1 3.48Å; F357-I361 PolarHBondContact O-N 3.01Å; V358-I361 PolarHBondContact O-N 2.93Å; M359-I361 VanDerWaalsContact C-N 3.33Å; I361-A364 PolarHBondContact O-N 3.47Å; I361-K365 HydrophobicContact CG2-CD 4.2Å; I361-K365 WeakPolarHBondContact O-CG 3.22Å; I361-K365 PolarHBondContact O-N 3.4Å; I361-I377 HydrophobicContact CD1-CG2 4.39Å; I361-I377 HydrophobicContact CG1-CG2 3.46Å; I361-I377 VanDerWaalsContact CG1-CG2 3.46Å; I361-F378 HydrophobicContact CD1-CD1 3.94Å; I361-F378 HydrophobicContact CD1-CE1 3.53Å; I361-F378 HydrophobicContact CD1-CZ 4.31Å; I361-F378 HydrophobicContact CG1-CE1 4.09Å; I361-F378 HydrophobicContact CG1-CZ 4.46Å; I361-F378 HydrophobicContact CG2-CE1 4.37Å; I361-F378 HydrophobicContact CG2-CZ 4.1Å; I361-Y381 HydrophobicContact CD1-CD1 4.1Å
362N85.2Confident82.9Confident71 Ų7164.8 Ų64.838%0.3833%0.329SS..Hα-helixtrans-65.7-41.3180-64.9-16.9000111.7N305 V358 M359 A364 K365 S366N305-N362 WeakPolarHBondContact OD1-CB 3.34Å; V358-N362 PolarHBondContact O-N 3.16Å; M359-N362 PolarHBondContact O-N 3.14Å; N362-A364 PolarHBondContact O-N 3.35Å; N362-K365 PolarHBondContact O-N 2.94Å; N362-S366 WeakPolarHBondContact O-CB 3.49Å; N362-S366 PolarHBondContact O-N 2.86Å; N362-S366 PolarHBondContact O-OG 3.36Å
363L84.3Confident82.6Confident0 Ų064.3 Ų64.30%034%0.335CS..Hα-helixtrans-62-42.1174.6-174.167.8000112.1F14 F307 K347 L348 L351 M359 S366 Q367F14-L363 HydrophobicContact CE2-CD2 4.36Å; F14-L363 HydrophobicContact CZ-CD2 4.4Å; F307-L363 HydrophobicContact CE1-CD1 4.44Å; F307-L363 HydrophobicContact CZ-CD1 4.23Å; K347-L363 HydrophobicContact CB-CD2 3.95Å; K347-L363 HydrophobicContact CD-CD2 4.35Å; L348-L363 HydrophobicContact CD2-CD2 4.47Å; L351-L363 HydrophobicContact CD1-CD2 3.83Å; M359-L363 VanDerWaalsContact O-CB 3.25Å; M359-L363 WeakPolarHBondContact O-CB 3.28Å; M359-L363 PolarHBondContact O-N 3.46Å; L363-S366 PolarHBondContact O-N 3.35Å; L363-S366 PolarHBondContact O-OG 3.41Å; L363-Q367 VanDerWaalsContact CD1-NE2 3.33Å; L363-Q367 WeakPolarHBondContact O-CB 3.4Å; L363-Q367 WeakPolarHBondContact O-CG 3.31Å; L363-Q367 PolarHBondContact O-N 3Å
364A86Confident82.5Confident0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-66.4-39176.700000111.9L348 A360 I361 N362 H368 L369 L374 I377L348-A364 HydrophobicContact CD2-CB 4.5Å; A360-A364 VanDerWaalsContact O-CB 3.29Å; A360-A364 WeakPolarHBondContact O-CB 3.44Å; A360-A364 PolarHBondContact O-N 3.34Å; I361-A364 PolarHBondContact O-N 3.47Å; N362-A364 PolarHBondContact O-N 3.35Å; A364-H368 PolarHBondContact O-N 2.98Å; A364-L369 HydrophobicContact CB-CB 4.12Å; A364-L369 HydrophobicContact CB-CD2 4.27Å; A364-L369 WeakPolarHBondContact O-CB 3.46Å; A364-L369 PolarHBondContact O-N 3.48Å; A364-L374 HydrophobicContact CB-CD2 3.59Å; A364-I377 HydrophobicContact CB-CD1 3.35Å
365K82.3Confident82.5Confident112 Ų11253.2 Ų53.249%0.48729%0.291SS..Hα-helixtrans-65.7-43.4174.2-74.3178.2177.3-174.20112.3I361 N362 Q367 H368 L374I361-K365 HydrophobicContact CG2-CD 4.2Å; I361-K365 WeakPolarHBondContact O-CG 3.22Å; I361-K365 PolarHBondContact O-N 3.4Å; N362-K365 PolarHBondContact O-N 2.94Å; K365-Q367 VanDerWaalsContact C-N 3.29Å; K365-Q367 PolarHBondContact O-N 3.43Å; K365-H368 PolarHBondContact O-N 3.04Å; K365-L374 HydrophobicContact CG-CD1 4.44Å; K365-L374 HydrophobicContact CG-CD2 4.17Å
366S78.2Confident82.5Confident50 Ų5052.4 Ų52.435%0.3528%0.284SS..Hα-helixtrans-68.7-29.8-178.870.40000112.4N305 N362 L363 H368N305-S366 PolarHBondContact ND2-OG 2.82Å; N362-S366 WeakPolarHBondContact O-CB 3.49Å; N362-S366 PolarHBondContact O-N 2.86Å; N362-S366 PolarHBondContact O-OG 3.36Å; L363-S366 PolarHBondContact O-N 3.35Å; L363-S366 PolarHBondContact O-OG 3.41Å; S366-H368 VanDerWaalsContact C-N 3.31Å
367Q77.5Confident82.7Confident55 Ų5551.1 Ų51.126%0.25728%0.277SS..THydrogen-bonded Turntrans-91.312175.3-64.8-177.412.300113.5T344 L363 K365 L369T344-Q367 VanDerWaalsContact CB-OE1 3.24Å; T344-Q367 PolarHBondContact OG1-OE1 3.38Å; L363-Q367 VanDerWaalsContact CD1-NE2 3.33Å; L363-Q367 WeakPolarHBondContact O-CB 3.4Å; L363-Q367 WeakPolarHBondContact O-CG 3.31Å; L363-Q367 PolarHBondContact O-N 3Å; K365-Q367 VanDerWaalsContact C-N 3.29Å; K365-Q367 PolarHBondContact O-N 3.43Å; Q367-L369 VanDerWaalsContact C-N 3.27Å; Q367-L369 PolarHBondContact O-N 3.28Å
368H76.6Confident82.8Confident165 Ų16551.3 Ų51.376%0.76428%0.278SS*.THydrogen-bonded Turntrans51.741.5178.5-57.7-65.6000113.9A364 K365 S366A364-H368 PolarHBondContact O-N 2.98Å; K365-H368 PolarHBondContact O-N 3.04Å; S366-H368 VanDerWaalsContact C-N 3.31Å
369L78Confident83Confident52 Ų5250.1 Ų50.127%0.27226%0.264SS..  trans-60.3142.2173.1-122.480.8000110.4T344 L348 A364 Q367T344-L369 HydrophobicContact CG2-CD1 3.48Å; T344-L369 VanDerWaalsContact CG2-CD1 3.48Å; L348-L369 HydrophobicContact CD1-CD2 4.06Å; A364-L369 HydrophobicContact CB-CB 4.12Å; A364-L369 HydrophobicContact CB-CD2 4.27Å; A364-L369 WeakPolarHBondContact O-CB 3.46Å; A364-L369 PolarHBondContact O-N 3.48Å; Q367-L369 VanDerWaalsContact C-N 3.27Å; Q367-L369 PolarHBondContact O-N 3.28Å
370D79.5Confident83.2Confident124 Ų12451.7 Ų51.766%0.66327%0.271SS*.  trans-56.3153.8176.7-65.6-37.2000111.7D372 G373 L374D370-D372 PolarHBondContact O-N 2.92Å; D370-G373 PolarHBondContact O-N 3.34Å; D370-L374 PolarHBondContact O-N 3.5Å; D370-L374 VanDerWaalsContact O-N 3.13Å
371S77.7Confident83.4Confident74 Ų7453.9 Ų53.952%0.51728%0.28SS..Hα-helixtrans-52.2-29.6176.564.30000113.2L374 S375S371-L374 PolarHBondContact O-N 3.45Å; S371-S375 WeakPolarHBondContact O-CB 3.33Å; S371-S375 PolarHBondContact O-N 3.13Å
372D79Confident83.5Confident85 Ų8553.3 Ų53.346%0.45528%0.277SS..Hα-helixtrans-67.6-47.2177.2-67.8-11.2000111.6D370 L374 S375 E376 K404D370-D372 PolarHBondContact O-N 2.92Å; D372-L374 VanDerWaalsContact C-N 3.31Å; D372-L374 PolarHBondContact O-N 3Å; D372-S375 PolarHBondContact O-N 2.65Å; D372-S375 PolarHBondContact O-OG 2.85Å; D372-E376 PolarHBondContact O-N 3.42Å; D372-E376 VanDerWaalsContact O-N 3.14Å; D372-K404 WeakPolarHBondContact OD1-CD 3.38Å; D372-K404 WeakPolarHBondContact OD1-CE 3.09Å; D372-K404 IonicContact OD1-NZ 3.19Å; D372-K404 PolarHBondContact OD1-NZ 3.37Å; D372-K404 IonicContact OD2-NZ 2.68Å
373G80.3Confident83.7Confident26 Ų2651.1 Ų51.127%0.26827%0.265SS..Hα-helixtrans-65.2-34.8176.700000112.7D370 E376 I377D370-G373 PolarHBondContact O-N 3.34Å; G373-E376 PolarHBondContact O-N 3.17Å; G373-I377 WeakPolarHBondContact O-CD1 3.2Å; G373-I377 WeakPolarHBondContact O-CG1 3.22Å; G373-I377 PolarHBondContact O-N 3.1Å
374L84.9Confident84Confident31 Ų3153.8 Ų53.816%0.16228%0.278CS..Hα-helixtrans-66.1-40.3172-76.2171.6000112.4A364 K365 D370 S371 D372 E376 I377 F378A364-L374 HydrophobicContact CB-CD2 3.59Å; K365-L374 HydrophobicContact CG-CD1 4.44Å; K365-L374 HydrophobicContact CG-CD2 4.17Å; D370-L374 PolarHBondContact O-N 3.5Å; D370-L374 VanDerWaalsContact O-N 3.13Å; S371-L374 PolarHBondContact O-N 3.45Å; D372-L374 VanDerWaalsContact C-N 3.31Å; D372-L374 PolarHBondContact O-N 3Å; L374-E376 VanDerWaalsContact C-N 3.27Å; L374-E376 PolarHBondContact O-N 3.4Å; L374-I377 HydrophobicContact CD2-CD1 4.28Å; L374-I377 PolarHBondContact O-N 3.28Å; L374-F378 HydrophobicContact CB-CE2 4.45Å; L374-F378 WeakPolarHBondContact O-CD2 3.26Å; L374-F378 PolarHBondContact O-N 2.88Å
375S84.7Confident84.1Confident21 Ų2154.4 Ų54.415%0.14728%0.281CS..Hα-helixtrans-62.1-37.1177.978.20000112S371 D372 F378 R379 T401S371-S375 WeakPolarHBondContact O-CB 3.33Å; S371-S375 PolarHBondContact O-N 3.13Å; D372-S375 PolarHBondContact O-N 2.65Å; D372-S375 PolarHBondContact O-OG 2.85Å; S375-F378 PolarHBondContact O-N 3.43Å; S375-R379 WeakPolarHBondContact O-CB 3.42Å; S375-R379 PolarHBondContact O-N 2.85Å; S375-T401 VanDerWaalsContact O-CG2 3.29Å; S375-T401 WeakPolarHBondContact O-CG2 3.41Å
376E85.5Confident84.3Confident71 Ų7151.5 Ų51.533%0.33227%0.267SS..Hα-helixtrans-67.6-40.5176.2179.456-158.800112D372 G373 L374 F378 R379 Q380D372-E376 PolarHBondContact O-N 3.42Å; D372-E376 VanDerWaalsContact O-N 3.14Å; G373-E376 PolarHBondContact O-N 3.17Å; L374-E376 VanDerWaalsContact C-N 3.27Å; L374-E376 PolarHBondContact O-N 3.4Å; E376-F378 PolarHBondContact O-N 3.28Å; E376-R379 WeakPolarHBondContact O-CB 3.22Å; E376-R379 PolarHBondContact O-N 3.43Å; E376-R379 IonicContact OE1-CZ 2.58Å; E376-R379 IonicContact OE1-NE 3.77Å; E376-R379 PolarHBondContact OE1-NE 3.43Å; E376-R379 IonicContact OE1-NH2 3.89Å; E376-R379 PolarHBondContact OE1-NH2 3.04Å; E376-R379 IonicContact OE2-CZ 2.74Å; E376-R379 IonicContact OE2-NE 2.58Å; E376-R379 PolarHBondContact OE2-NE 2.91Å; E376-R379 IonicContact OE2-NH2 3.87Å; E376-R379 PolarHBondContact OE2-NH2 2.82Å; E376-Q380 WeakPolarHBondContact O-CG 2.89Å; E376-Q380 PolarHBondContact O-N 2.87Å; E376-Q380 PolarHBondContact OE1-NE2 3.42Å
377I88.3Confident84.9Confident3 Ų356.4 Ų56.42%0.01529%0.288CS..Hα-helixtrans-59.9-45.9172.6-66.7158000110.6L348 F352 A360 I361 A364 G373 L374 R379 Q380 Y381L348-I377 HydrophobicContact CD1-CD1 4.22Å; L348-I377 HydrophobicContact CD2-CD1 4.16Å; F352-I377 HydrophobicContact CE1-CG1 4.29Å; F352-I377 HydrophobicContact CE1-CG2 4.19Å; F352-I377 HydrophobicContact CZ-CB 4.4Å; F352-I377 HydrophobicContact CZ-CG1 3.75Å; F352-I377 HydrophobicContact CZ-CG2 4.46Å; A360-I377 HydrophobicContact CB-CG2 4.48Å; I361-I377 HydrophobicContact CD1-CG2 4.39Å; I361-I377 HydrophobicContact CG1-CG2 3.46Å; I361-I377 VanDerWaalsContact CG1-CG2 3.46Å; A364-I377 HydrophobicContact CB-CD1 3.35Å; G373-I377 WeakPolarHBondContact O-CD1 3.2Å; G373-I377 WeakPolarHBondContact O-CG1 3.22Å; G373-I377 PolarHBondContact O-N 3.1Å; L374-I377 HydrophobicContact CD2-CD1 4.28Å; L374-I377 PolarHBondContact O-N 3.28Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-Q380 PolarHBondContact O-N 3.48Å; I377-Y381 WeakPolarHBondContact O-CB 2.88Å; I377-Y381 PolarHBondContact O-N 3.4Å
378F88.8Confident85.4Confident18 Ų1861.2 Ų61.28%0.07931%0.309CS..Hα-helixtrans-65.4-36.6177.9-74.4-58.3000112.4I361 L374 S375 E376 Y381 G382 Q397 R400 T401I361-F378 HydrophobicContact CD1-CD1 3.94Å; I361-F378 HydrophobicContact CD1-CE1 3.53Å; I361-F378 HydrophobicContact CD1-CZ 4.31Å; I361-F378 HydrophobicContact CG1-CE1 4.09Å; I361-F378 HydrophobicContact CG1-CZ 4.46Å; I361-F378 HydrophobicContact CG2-CE1 4.37Å; I361-F378 HydrophobicContact CG2-CZ 4.1Å; L374-F378 HydrophobicContact CB-CE2 4.45Å; L374-F378 WeakPolarHBondContact O-CD2 3.26Å; L374-F378 PolarHBondContact O-N 2.88Å; S375-F378 PolarHBondContact O-N 3.43Å; E376-F378 PolarHBondContact O-N 3.28Å; F378-Y381 PolarHBondContact O-N 3.22Å; F378-G382 PolarHBondContact O-N 2.85Å; F378-Q397 VanDerWaalsContact CD1-OE1 3.27Å; F378-R400 HydrophobicContact CD1-CB 4.37Å; F378-R400 HydrophobicContact CD2-CB 4.17Å; F378-R400 HydrophobicContact CE2-CB 4.35Å; F378-R400 HydrophobicContact CG-CB 4.21Å; F378-T401 HydrophobicContact CB-CG2 3.38Å; F378-T401 HydrophobicContact CG-CG2 4.49Å
379R89.9Confident85.8Confident60 Ų6055.4 Ų55.423%0.22629%0.293CS..Hα-helixtrans-61.5-50.9174-173.4-169.870.777.8-8.6111.2S375 E376 I377 Y381 G382 D383 L405S375-R379 WeakPolarHBondContact O-CB 3.42Å; S375-R379 PolarHBondContact O-N 2.85Å; E376-R379 WeakPolarHBondContact O-CB 3.22Å; E376-R379 PolarHBondContact O-N 3.43Å; E376-R379 IonicContact OE1-CZ 2.58Å; E376-R379 IonicContact OE1-NE 3.77Å; E376-R379 PolarHBondContact OE1-NE 3.43Å; E376-R379 IonicContact OE1-NH2 3.89Å; E376-R379 PolarHBondContact OE1-NH2 3.04Å; E376-R379 IonicContact OE2-CZ 2.74Å; E376-R379 IonicContact OE2-NE 2.58Å; E376-R379 PolarHBondContact OE2-NE 2.91Å; E376-R379 IonicContact OE2-NH2 3.87Å; E376-R379 PolarHBondContact OE2-NH2 2.82Å; I377-R379 VanDerWaalsContact C-N 3.35Å; R379-Y381 VanDerWaalsContact C-N 3.31Å; R379-Y381 PolarHBondContact O-N 2.98Å; R379-G382 PolarHBondContact O-N 3.34Å; R379-D383 IonicContact NH1-OD2 3.92Å; R379-D383 PolarHBondContact NH1-OD2 3.03Å; R379-D383 VanDerWaalsContact O-CG 3.29Å; R379-D383 PolarHBondContact O-N 2.87Å; R379-L405 HydrophobicContact CG-CD1 4.27Å; R379-L405 HydrophobicContact CG-CD2 4.15Å
380Q87.9Confident86.3Confident57 Ų5756.4 Ų56.427%0.26630%0.299SS..Hα-helixtrans-64.1-37178.5-67.8-174.621.300112.1F357 E376 I377 D383 H384F357-Q380 HydrophobicContact CE1-CB 4.02Å; E376-Q380 WeakPolarHBondContact O-CG 2.89Å; E376-Q380 PolarHBondContact O-N 2.87Å; E376-Q380 PolarHBondContact OE1-NE2 3.42Å; I377-Q380 PolarHBondContact O-N 3.48Å; Q380-D383 PolarHBondContact O-N 3.2Å; Q380-H384 WeakPolarHBondContact O-CB 3.29Å; Q380-H384 PolarHBondContact O-N 2.88Å
381Y90.2Very high86.8Confident45 Ų4552.2 Ų52.218%0.17628%0.275CS..Hα-helixtrans-66-43.9175.3-174.9-151.4000111.8F357 I361 I377 F378 R379 H384 L385 Q397F357-Y381 HydrophobicContact CB-CD1 4.15Å; F357-Y381 HydrophobicContact CB-CD2 3.34Å; F357-Y381 HydrophobicContact CB-CE2 3.87Å; F357-Y381 HydrophobicContact CB-CG 3.52Å; F357-Y381 HydrophobicContact CD1-CD2 4.21Å; F357-Y381 HydrophobicContact CD1-CG 4.27Å; F357-Y381 AromaticContact CD2-CD2 3.6Å; F357-Y381 HydrophobicContact CD2-CD2 3.6Å; F357-Y381 HydrophobicContact CD2-CE2 4.19Å; F357-Y381 HydrophobicContact CD2-CG 4.43Å; F357-Y381 HydrophobicContact CE2-CD2 4.47Å; F357-Y381 AromaticContact CG-CD2 3.45Å; F357-Y381 HydrophobicContact CG-CD2 3.45Å; F357-Y381 VanDerWaalsContact CG-CD2 3.45Å; F357-Y381 HydrophobicContact CG-CE2 4.26Å; F357-Y381 AromaticContact CG-CG 3.83Å; F357-Y381 HydrophobicContact CG-CG 3.83Å; I361-Y381 HydrophobicContact CD1-CD1 4.1Å; I377-Y381 WeakPolarHBondContact O-CB 2.88Å; I377-Y381 PolarHBondContact O-N 3.4Å; F378-Y381 PolarHBondContact O-N 3.22Å; R379-Y381 VanDerWaalsContact C-N 3.31Å; R379-Y381 PolarHBondContact O-N 2.98Å; Y381-H384 PolarHBondContact O-N 3.33Å; Y381-L385 HydrophobicContact CD2-CD1 4.08Å; Y381-L385 HydrophobicContact CD2-CG 4.01Å; Y381-L385 HydrophobicContact CE1-CD1 4.21Å; Y381-L385 HydrophobicContact CE2-CD1 3.67Å; Y381-L385 HydrophobicContact CE2-CD2 3.94Å; Y381-L385 HydrophobicContact CE2-CG 3.7Å; Y381-L385 WeakPolarHBondContact O-CG 3.42Å; Y381-L385 PolarHBondContact O-N 3.41Å; Y381-Q397 HydrophobicContact CD1-CB 4.44Å; Y381-Q397 VanDerWaalsContact CD1-CD 3.46Å; Y381-Q397 HydrophobicContact CD1-CG 3.47Å; Y381-Q397 VanDerWaalsContact CD1-CG 3.47Å; Y381-Q397 VanDerWaalsContact CE1-CD 3.46Å; Y381-Q397 HydrophobicContact CE1-CG 3.75Å; Y381-Q397 HydrophobicContact CG-CG 4.16Å
382G89.4Confident87.2Confident0 Ų053.6 Ų53.60%028%0.277CS..Hα-helixtrans-59.9-43.7173.500000112.4F378 R379 H384 L385 Y386 A394F378-G382 PolarHBondContact O-N 2.85Å; R379-G382 PolarHBondContact O-N 3.34Å; G382-H384 PolarHBondContact O-N 3.39Å; G382-L385 PolarHBondContact O-N 3.13Å; G382-Y386 VanDerWaalsContact O-CB 3.29Å; G382-Y386 WeakPolarHBondContact O-CB 3.47Å; G382-Y386 PolarHBondContact O-N 2.88Å; G382-A394 WeakPolarHBondContact O-CB 3.5Å
383D89.1Confident87.6Confident24 Ų2450.3 Ų50.313%0.12826%0.263CS..Hα-helixtrans-62-43.1176.9-72.5-19.3000112.1R379 Q380 Y386 L387 Y398 Y409 K413R379-D383 IonicContact NH1-OD2 3.92Å; R379-D383 PolarHBondContact NH1-OD2 3.03Å; R379-D383 VanDerWaalsContact O-CG 3.29Å; R379-D383 PolarHBondContact O-N 2.87Å; Q380-D383 PolarHBondContact O-N 3.2Å; D383-Y386 PolarHBondContact O-N 3.38Å; D383-L387 WeakPolarHBondContact O-CG 3.26Å; D383-L387 PolarHBondContact O-N 2.94Å; D383-Y398 WeakPolarHBondContact CA-OH 3.36Å; D383-Y398 PolarHBondContact N-OH 3.43Å; D383-Y398 PolarHBondContact OD1-OH 3.42Å; D383-Y409 PolarHBondContact OD1-OH 3.44Å; D383-Y409 VanDerWaalsContact OD1-OH 3.09Å; D383-Y409 PolarHBondContact OD2-OH 3.3Å; D383-Y409 VanDerWaalsContact OD2-OH 3.05Å; D383-K413 IonicContact OD1-NZ 3.76Å; D383-K413 PolarHBondContact OD1-NZ 3.26Å
384H89.7Confident88.2Confident57 Ų5749.1 Ų49.126%0.26425%0.25SS..Hα-helixtrans-63-46.7176.2-179.188.2000112N355 F357 Q380 Y381 G382 Y386 L387 K388N355-H384 VanDerWaalsContact CG-CE1 3.43Å; N355-H384 PolarHBondContact OD1-CE1 3.39Å; N355-H384 PolarHBondContact OD1-ND1 2.95Å; F357-H384 HydrophobicContact CE2-CB 3.66Å; F357-H384 AromaticContact CE2-CD2 3.87Å; F357-H384 AromaticContact CE2-CG 3.51Å; F357-H384 AromaticContact CE2-ND1 3.86Å; F357-H384 HydrophobicContact CZ-CB 3.79Å; Q380-H384 WeakPolarHBondContact O-CB 3.29Å; Q380-H384 PolarHBondContact O-N 2.88Å; Y381-H384 PolarHBondContact O-N 3.33Å; G382-H384 PolarHBondContact O-N 3.39Å; H384-Y386 VanDerWaalsContact C-N 3.31Å; H384-Y386 PolarHBondContact O-N 2.65Å; H384-L387 PolarHBondContact O-N 3.21Å; H384-K388 WeakPolarHBondContact O-CB 3.39Å; H384-K388 PolarHBondContact O-N 3.2Å
385L88.2Confident88.4Confident13 Ų1347.7 Ų47.77%0.06824%0.243CC..Hα-helixtrans-63-39.5177.2-71176.7000111.7Y381 G382 L387 K388 G389 D390 A394 Q397Y381-L385 HydrophobicContact CD2-CD1 4.08Å; Y381-L385 HydrophobicContact CD2-CG 4.01Å; Y381-L385 HydrophobicContact CE1-CD1 4.21Å; Y381-L385 HydrophobicContact CE2-CD1 3.67Å; Y381-L385 HydrophobicContact CE2-CD2 3.94Å; Y381-L385 HydrophobicContact CE2-CG 3.7Å; Y381-L385 WeakPolarHBondContact O-CG 3.42Å; Y381-L385 PolarHBondContact O-N 3.41Å; G382-L385 PolarHBondContact O-N 3.13Å; L385-L387 PolarHBondContact O-N 3.32Å; L385-K388 WeakPolarHBondContact O-CB 3.44Å; L385-K388 PolarHBondContact O-N 3.01Å; L385-G389 PolarHBondContact O-N 2.89Å; L385-D390 HydrophobicContact CD2-CB 4.43Å; L385-D390 PolarHBondContact O-N 3.21Å; L385-A394 HydrophobicContact CB-CB 3.85Å; L385-Q397 HydrophobicContact CD1-CG 3.99Å
386Y88Confident88.7Confident51 Ų5151.9 Ų51.920%0.226%0.26CS..Hα-helixtrans-61.7-44.3176.6-174.2-87000112G382 D383 H384 K388 G389 H391 K413 F414 R419G382-Y386 VanDerWaalsContact O-CB 3.29Å; G382-Y386 WeakPolarHBondContact O-CB 3.47Å; G382-Y386 PolarHBondContact O-N 2.88Å; D383-Y386 PolarHBondContact O-N 3.38Å; H384-Y386 VanDerWaalsContact C-N 3.31Å; H384-Y386 PolarHBondContact O-N 2.65Å; Y386-K388 VanDerWaalsContact C-N 3.29Å; Y386-K388 PolarHBondContact O-N 3.28Å; Y386-G389 PolarHBondContact O-N 3.48Å; Y386-H391 AromaticContact CD2-ND1 3.58Å; Y386-H391 AromaticContact CE2-ND1 3.74Å; Y386-H391 PolarHBondContact O-CE1 3.33Å; Y386-K413 HydrophobicContact CE2-CB 4Å; Y386-K413 PolarHBondContact OH-O 3.3Å; Y386-F414 HydrophobicContact CD2-CE1 4.16Å; Y386-F414 AromaticContact CD2-CE2 3.87Å; Y386-F414 HydrophobicContact CD2-CE2 3.87Å; Y386-F414 AromaticContact CD2-CZ 3.55Å; Y386-F414 HydrophobicContact CD2-CZ 3.55Å; Y386-F414 HydrophobicContact CE2-CD1 4.47Å; Y386-F414 HydrophobicContact CE2-CD2 4.39Å; Y386-F414 HydrophobicContact CE2-CE1 4.06Å; Y386-F414 AromaticContact CE2-CE2 3.95Å; Y386-F414 HydrophobicContact CE2-CE2 3.95Å; Y386-F414 AromaticContact CE2-CZ 3.79Å; Y386-F414 HydrophobicContact CE2-CZ 3.79Å; Y386-R419 VanDerWaalsContact CZ-NH1 3.31Å; Y386-R419 PolarHBondContact OH-NH1 2.84Å
387L88.9Confident88.9Confident152 Ų15249.5 Ų49.580%0.79625%0.249SC*.Hα-helixtrans-66.1-31175.7-71.9172.9000112.7D383 H384 L385 G389D383-L387 WeakPolarHBondContact O-CG 3.26Å; D383-L387 PolarHBondContact O-N 2.94Å; H384-L387 PolarHBondContact O-N 3.21Å; L385-L387 PolarHBondContact O-N 3.32Å; L387-G389 PolarHBondContact O-N 3.33Å
388K89.1Confident89Confident157 Ų15749.4 Ų49.468%0.68325%0.249SC*.Hα-helixtrans-74.1-14176.4-164.2179.4176.7-171.90113.1H384 L385 Y386H384-K388 WeakPolarHBondContact O-CB 3.39Å; H384-K388 PolarHBondContact O-N 3.2Å; L385-K388 WeakPolarHBondContact O-CB 3.44Å; L385-K388 PolarHBondContact O-N 3.01Å; Y386-K388 VanDerWaalsContact C-N 3.29Å; Y386-K388 PolarHBondContact O-N 3.28Å
389G85Confident89Confident42 Ų4250 Ų5043%0.43325%0.252SS..THydrogen-bonded Turntrans90.21.6-176.800000114.5L385 Y386 L387 H391L385-G389 PolarHBondContact O-N 2.89Å; Y386-G389 PolarHBondContact O-N 3.48Å; L387-G389 PolarHBondContact O-N 3.33Å; G389-H391 VanDerWaalsContact C-N 3.34Å; G389-H391 PolarHBondContact O-CD2 3.01Å; G389-H391 PolarHBondContact O-N 2.92Å; G389-H391 VanDerWaalsContact O-N 3.11Å
390D88.6Confident88.8Confident73 Ų7354.3 Ų54.339%0.3927%0.269SS..  trans-85.179.2173.4-1774.8000109.7L385 G393 A394L385-D390 HydrophobicContact CD2-CB 4.43Å; L385-D390 PolarHBondContact O-N 3.21Å; D390-G393 PolarHBondContact OD1-N 3.13Å; D390-A394 WeakPolarHBondContact O-CB 3.26Å; D390-A394 PolarHBondContact O-N 3.25Å
391H88.9Confident88.7Confident36 Ų3651.7 Ų51.717%0.16726%0.256CS..Hα-helixtrans-71.6-32.3-175-62.4-48.7000113.1Y386 G389 A394 I395 F414 R419Y386-H391 AromaticContact CD2-ND1 3.58Å; Y386-H391 AromaticContact CE2-ND1 3.74Å; Y386-H391 PolarHBondContact O-CE1 3.33Å; G389-H391 VanDerWaalsContact C-N 3.34Å; G389-H391 PolarHBondContact O-CD2 3.01Å; G389-H391 PolarHBondContact O-N 2.92Å; G389-H391 VanDerWaalsContact O-N 3.11Å; H391-A394 PolarHBondContact O-N 2.93Å; H391-I395 PolarHBondContact O-N 3.34Å; H391-F414 HydrophobicContact CB-CE1 4.14Å; H391-R419 VanDerWaalsContact CE1-CZ 3.47Å; H391-R419 PolarHBondContact CE1-NH1 2.93Å; H391-R419 PolarHBondContact CE1-NH2 2.86Å; H391-R419 PolarHBondContact ND1-NH1 3.48Å; H391-R419 PolarHBondContact NE2-NH1 3.1Å; H391-R419 PolarHBondContact NE2-NH2 3.19Å
392D87.2Confident88.3Confident103 Ų10350.6 Ų50.655%0.55126%0.255SS*.Hα-helixtrans-73.7-41.1179.6-58.8-15000110.3I395 Q396 N422D392-I395 WeakPolarHBondContact O-CG2 3.4Å; D392-Q396 WeakPolarHBondContact O-CG 3.4Å; D392-Q396 PolarHBondContact O-N 3.34Å; D392-N422 PolarHBondContact OD1-ND2 2.89Å; D392-N422 PolarHBondContact OD1-OD1 2.88Å
393G87.7Confident87.7Confident17 Ų1753.2 Ų53.218%0.17528%0.282CS..Hα-helixtrans-62.9-42.1170.800000112.1D390 Q396 Q397D390-G393 PolarHBondContact OD1-N 3.13Å; G393-Q396 PolarHBondContact O-N 3.3Å; G393-Q397 PolarHBondContact O-N 3Å
394A91.6Very high87.3Confident0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-61.7-45.2179.900000112.5G382 L385 D390 H391 Q396 Q397 Y398 F414G382-A394 WeakPolarHBondContact O-CB 3.5Å; L385-A394 HydrophobicContact CB-CB 3.85Å; D390-A394 WeakPolarHBondContact O-CB 3.26Å; D390-A394 PolarHBondContact O-N 3.25Å; H391-A394 PolarHBondContact O-N 2.93Å; A394-Q396 VanDerWaalsContact C-N 3.31Å; A394-Q396 PolarHBondContact O-N 2.93Å; A394-Q397 PolarHBondContact O-N 2.88Å; A394-Q397 VanDerWaalsContact O-N 3.1Å; A394-Y398 HydrophobicContact CB-CE2 4.2Å; A394-Y398 VanDerWaalsContact O-CD2 3.22Å; A394-Y398 WeakPolarHBondContact O-CD2 3.44Å; A394-Y398 PolarHBondContact O-N 2.82Å; A394-F414 HydrophobicContact CB-CZ 4.38Å
395I90.4Very high87Confident2 Ų256.6 Ų56.61%0.0130%0.296CS..Hα-helixtrans-65.8-35.8-177.7-155.265000112.1H391 D392 Q397 Y398 I399 V410 F414 N422 Y426H391-I395 PolarHBondContact O-N 3.34Å; D392-I395 WeakPolarHBondContact O-CG2 3.4Å; I395-Q397 PolarHBondContact O-N 3.2Å; I395-Y398 HydrophobicContact CD1-CD2 4.25Å; I395-Y398 PolarHBondContact O-N 3.42Å; I395-I399 VanDerWaalsContact O-CG1 3.26Å; I395-I399 WeakPolarHBondContact O-CG1 3.2Å; I395-I399 PolarHBondContact O-N 3.13Å; I395-V410 HydrophobicContact CD1-CG1 3.75Å; I395-F414 HydrophobicContact CB-CZ 4.4Å; I395-F414 HydrophobicContact CD1-CD2 4Å; I395-F414 HydrophobicContact CD1-CE1 4.29Å; I395-F414 HydrophobicContact CD1-CE2 3.79Å; I395-F414 HydrophobicContact CD1-CG 4.36Å; I395-F414 HydrophobicContact CD1-CZ 3.92Å; I395-N422 HydrophobicContact CB-CB 4.47Å; I395-N422 HydrophobicContact CG1-CB 4.46Å; I395-N422 WeakPolarHBondContact CG1-O 3.35Å; I395-N422 HydrophobicContact CG2-CB 4.43Å; I395-Y426 HydrophobicContact CD1-CD2 4.13Å; I395-Y426 HydrophobicContact CD1-CG 4.11Å
396Q90.1Very high86.8Confident108 Ų10862.8 Ų62.851%0.50532%0.324SS..Hα-helixtrans-61.9-32.8174.6-67.4-65-20.900112.4D392 G393 A394D392-Q396 WeakPolarHBondContact O-CG 3.4Å; D392-Q396 PolarHBondContact O-N 3.34Å; G393-Q396 PolarHBondContact O-N 3.3Å; A394-Q396 VanDerWaalsContact C-N 3.31Å; A394-Q396 PolarHBondContact O-N 2.93Å
397Q89.5Confident86.7Confident22 Ų2261.9 Ų61.910%0.10333%0.325CS..Hα-helixtrans-74.6-42.1173.8-54.9-48.2-46.300111.7F378 Y381 L385 G393 A394 I395 I399 R400F378-Q397 VanDerWaalsContact CD1-OE1 3.27Å; Y381-Q397 HydrophobicContact CD1-CB 4.44Å; Y381-Q397 VanDerWaalsContact CD1-CD 3.46Å; Y381-Q397 HydrophobicContact CD1-CG 3.47Å; Y381-Q397 VanDerWaalsContact CD1-CG 3.47Å; Y381-Q397 VanDerWaalsContact CE1-CD 3.46Å; Y381-Q397 HydrophobicContact CE1-CG 3.75Å; Y381-Q397 HydrophobicContact CG-CG 4.16Å; L385-Q397 HydrophobicContact CD1-CG 3.99Å; G393-Q397 PolarHBondContact O-N 3Å; A394-Q397 PolarHBondContact O-N 2.88Å; A394-Q397 VanDerWaalsContact O-N 3.1Å; I395-Q397 PolarHBondContact O-N 3.2Å; Q397-I399 VanDerWaalsContact C-N 3.29Å; Q397-I399 PolarHBondContact O-N 3.49Å; Q397-R400 WeakPolarHBondContact O-CB 3.31Å; Q397-R400 PolarHBondContact O-N 3.08Å
398Y90.2Very high86.6Confident0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-62.7-35.3175.9-67.2-52000112.7D383 A394 I395 R400 T401 L405 Y409 V410 F414D383-Y398 WeakPolarHBondContact CA-OH 3.36Å; D383-Y398 PolarHBondContact N-OH 3.43Å; D383-Y398 PolarHBondContact OD1-OH 3.42Å; A394-Y398 HydrophobicContact CB-CE2 4.2Å; A394-Y398 VanDerWaalsContact O-CD2 3.22Å; A394-Y398 WeakPolarHBondContact O-CD2 3.44Å; A394-Y398 PolarHBondContact O-N 2.82Å; I395-Y398 HydrophobicContact CD1-CD2 4.25Å; I395-Y398 PolarHBondContact O-N 3.42Å; Y398-R400 PolarHBondContact O-N 3Å; Y398-T401 PolarHBondContact O-N 2.9Å; Y398-T401 PolarHBondContact O-OG1 3.48Å; Y398-L405 HydrophobicContact CD1-CD2 4.17Å; Y398-Y409 HydrophobicContact CE1-CE1 4.28Å; Y398-V410 HydrophobicContact CD1-CG2 3.95Å; Y398-V410 HydrophobicContact CD2-CG1 4.01Å; Y398-V410 HydrophobicContact CD2-CG2 4.44Å; Y398-V410 HydrophobicContact CG-CG1 4.12Å; Y398-V410 HydrophobicContact CG-CG2 3.87Å; Y398-F414 AromaticContact CD2-CE2 3.86Å; Y398-F414 HydrophobicContact CD2-CE2 3.86Å; Y398-F414 HydrophobicContact CD2-CZ 4.33Å; Y398-F414 AromaticContact CE2-CE2 3.7Å; Y398-F414 HydrophobicContact CE2-CE2 3.7Å; Y398-F414 HydrophobicContact CE2-CZ 4.18Å
399I89.1Confident86.6Confident30 Ų3053.4 Ų53.415%0.15429%0.286CS..Hα-helixtrans-58.8-29.4173.1-71.4166.8000111.6I395 Q397 T401 T402 Y426 A429I395-I399 VanDerWaalsContact O-CG1 3.26Å; I395-I399 WeakPolarHBondContact O-CG1 3.2Å; I395-I399 PolarHBondContact O-N 3.13Å; Q397-I399 VanDerWaalsContact C-N 3.29Å; Q397-I399 PolarHBondContact O-N 3.49Å; I399-T401 VanDerWaalsContact C-N 3.28Å; I399-T401 PolarHBondContact O-N 2.95Å; I399-T402 WeakPolarHBondContact O-CG2 3.29Å; I399-T402 PolarHBondContact O-OG1 3.29Å; I399-Y426 HydrophobicContact CG1-CD2 3.97Å; I399-A429 HydrophobicContact CB-CB 4.43Å; I399-A429 HydrophobicContact CD1-CB 4.25Å; I399-A429 HydrophobicContact CG1-CB 3.96Å; I399-A429 HydrophobicContact CG2-CB 3.69Å
400R85.3Confident86.7Confident151 Ų15151.4 Ų51.457%0.5727%0.266SS*.THydrogen-bonded Turntrans-79.3-10176.2-64.2176.8177.5-168.5-2113.7F378 Q397 Y398F378-R400 HydrophobicContact CD1-CB 4.37Å; F378-R400 HydrophobicContact CD2-CB 4.17Å; F378-R400 HydrophobicContact CE2-CB 4.35Å; F378-R400 HydrophobicContact CG-CB 4.21Å; Q397-R400 WeakPolarHBondContact O-CB 3.31Å; Q397-R400 PolarHBondContact O-N 3.08Å; Y398-R400 PolarHBondContact O-N 3Å
401T86.5Confident86.6Confident2 Ų248.7 Ų48.71%0.01225%0.251CS..THydrogen-bonded Turntrans-96.53177.3640000113.6S375 F378 Y398 I399 G403 K404 L405S375-T401 VanDerWaalsContact O-CG2 3.29Å; S375-T401 WeakPolarHBondContact O-CG2 3.41Å; F378-T401 HydrophobicContact CB-CG2 3.38Å; F378-T401 HydrophobicContact CG-CG2 4.49Å; Y398-T401 PolarHBondContact O-N 2.9Å; Y398-T401 PolarHBondContact O-OG1 3.48Å; I399-T401 VanDerWaalsContact C-N 3.28Å; I399-T401 PolarHBondContact O-N 2.95Å; T401-G403 PolarHBondContact O-N 2.9Å; T401-K404 PolarHBondContact O-N 2.6Å; T401-L405 PolarHBondContact O-N 3.48Å; T401-L405 WeakPolarHBondContact OG1-CD2 3.47Å
402T81.9Confident86.6Confident23 Ų2356.6 Ų56.614%0.14128%0.279CS..THydrogen-bonded Turntrans-60.9134.9-178.749.10000111.2I399 Y426 Q433I399-T402 WeakPolarHBondContact O-CG2 3.29Å; I399-T402 PolarHBondContact O-OG1 3.29Å; T402-Y426 HydrophobicContact CG2-CE2 4.06Å; T402-Q433 PolarHBondContact OG1-NE2 3.35Å; T402-Q433 PolarHBondContact OG1-OE1 3.39Å
403G76.4Confident86.5Confident55 Ų5554.1 Ų54.157%0.56726%0.264SS*.THydrogen-bonded Turntrans92.8-15-176.700000115.2T401T401-G403 PolarHBondContact O-N 2.9Å
404K81.3Confident86.4Confident120 Ų12053.3 Ų53.352%0.52226%0.256SS..THydrogen-bonded Turntrans-117.9-41.5175.8-62-63.1-174.6158.30112.6D372 T401D372-K404 WeakPolarHBondContact OD1-CD 3.38Å; D372-K404 WeakPolarHBondContact OD1-CE 3.09Å; D372-K404 IonicContact OD1-NZ 3.19Å; D372-K404 PolarHBondContact OD1-NZ 3.37Å; D372-K404 IonicContact OD2-NZ 2.68Å; T401-K404 PolarHBondContact O-N 2.6Å
405L83.7Confident86.1Confident31 Ų3158.2 Ų58.216%0.16228%0.281CS..SBendtrans-86137.2174.9-17565.2000110.9R379 Y398 T401 P407 Y409 V410R379-L405 HydrophobicContact CG-CD1 4.27Å; R379-L405 HydrophobicContact CG-CD2 4.15Å; Y398-L405 HydrophobicContact CD1-CD2 4.17Å; T401-L405 PolarHBondContact O-N 3.48Å; T401-L405 WeakPolarHBondContact OG1-CD2 3.47Å; L405-P407 WeakPolarHBondContact O-CD 3.22Å; L405-Y409 HydrophobicContact CD1-CD1 4.44Å; L405-Y409 HydrophobicContact CD1-CG 4.45Å; L405-Y409 HydrophobicContact CD2-CD1 4.01Å; L405-V410 HydrophobicContact CD2-CG2 3.88Å
406E84.4Confident85.5Confident143 Ų14361.8 Ų61.867%0.66830%0.3SS*.  trans-63.1125.6174.5-74.4-163.216500111.6S408 Y409E406-S408 PolarHBondContact O-N 2.73Å; E406-S408 VanDerWaalsContact O-N 3.12Å; E406-Y409 WeakPolarHBondContact O-CB 3.4Å; E406-Y409 PolarHBondContact O-N 3.23Å
407P85.9Confident84.5Confident32 Ų3260.1 Ų60.121%0.20831%0.305CS..Hα-helixtrans-55.5-32.9179.8-29.337.1000114.4L405 Y409 V410 I411 Y426 L430L405-P407 WeakPolarHBondContact O-CD 3.22Å; P407-Y409 PolarHBondContact O-N 2.87Å; P407-V410 PolarHBondContact O-N 2.87Å; P407-V410 VanDerWaalsContact O-N 3.14Å; P407-I411 HydrophobicContact CB-CD1 4.11Å; P407-I411 VanDerWaalsContact O-CG1 3.27Å; P407-I411 WeakPolarHBondContact O-CG1 3.46Å; P407-I411 PolarHBondContact O-N 3.42Å; P407-Y426 HydrophobicContact CB-CE1 4.31Å; P407-L430 HydrophobicContact CB-CD1 3.68Å; P407-L430 HydrophobicContact CG-CD1 3.69Å
408S86.8Confident84Confident52 Ų5267.1 Ų67.136%0.36434%0.338SS..Hα-helixtrans-54.5-34.2176.7-62.10000113.2E406 R412E406-S408 PolarHBondContact O-N 2.73Å; E406-S408 VanDerWaalsContact O-N 3.12Å; S408-R412 WeakPolarHBondContact O-CB 3.08Å; S408-R412 VanDerWaalsContact O-CG 3.22Å; S408-R412 WeakPolarHBondContact O-CG 3.28Å; S408-R412 PolarHBondContact O-N 2.95Å
409Y87.7Confident83.6Confident80 Ų8069.8 Ų69.831%0.31435%0.348SS..Hα-helixtrans-62-47.2178.4-177.5-93.9000111.6D383 Y398 L405 E406 P407 K413D383-Y409 PolarHBondContact OD1-OH 3.44Å; D383-Y409 VanDerWaalsContact OD1-OH 3.09Å; D383-Y409 PolarHBondContact OD2-OH 3.3Å; D383-Y409 VanDerWaalsContact OD2-OH 3.05Å; Y398-Y409 HydrophobicContact CE1-CE1 4.28Å; L405-Y409 HydrophobicContact CD1-CD1 4.44Å; L405-Y409 HydrophobicContact CD1-CG 4.45Å; L405-Y409 HydrophobicContact CD2-CD1 4.01Å; E406-Y409 WeakPolarHBondContact O-CB 3.4Å; E406-Y409 PolarHBondContact O-N 3.23Å; P407-Y409 PolarHBondContact O-N 2.87Å; Y409-K413 HydrophobicContact CE1-CD 4.21Å; Y409-K413 VanDerWaalsContact CE1-CE 3.49Å; Y409-K413 VanDerWaalsContact CZ-CE 3.44Å; Y409-K413 WeakPolarHBondContact OH-CE 3.33Å; Y409-K413 PolarHBondContact OH-NZ 2.82Å
410V87.5Confident83.4Confident0 Ų069.5 Ų69.50%035%0.346CS..Hα-helixtrans-74.2-45.5-178.9-175.10000110I395 Y398 L405 P407 R412 K413 F414 Y426I395-V410 HydrophobicContact CD1-CG1 3.75Å; Y398-V410 HydrophobicContact CD1-CG2 3.95Å; Y398-V410 HydrophobicContact CD2-CG1 4.01Å; Y398-V410 HydrophobicContact CD2-CG2 4.44Å; Y398-V410 HydrophobicContact CG-CG1 4.12Å; Y398-V410 HydrophobicContact CG-CG2 3.87Å; L405-V410 HydrophobicContact CD2-CG2 3.88Å; P407-V410 PolarHBondContact O-N 2.87Å; P407-V410 VanDerWaalsContact O-N 3.14Å; V410-R412 VanDerWaalsContact C-N 3.3Å; V410-R412 PolarHBondContact O-N 3.23Å; V410-K413 PolarHBondContact O-N 3.16Å; V410-F414 HydrophobicContact CG1-CD2 3.89Å; V410-F414 HydrophobicContact CG1-CE2 4.1Å; V410-F414 WeakPolarHBondContact O-CD2 3.23Å; V410-F414 PolarHBondContact O-N 2.88Å; V410-Y426 HydrophobicContact CB-CD1 4.32Å; V410-Y426 HydrophobicContact CB-CE1 3.86Å; V410-Y426 HydrophobicContact CB-CE2 4.17Å; V410-Y426 HydrophobicContact CG1-CD1 4.02Å; V410-Y426 HydrophobicContact CG1-CD2 3.95Å; V410-Y426 HydrophobicContact CG1-CE1 4.05Å; V410-Y426 HydrophobicContact CG1-CE2 3.98Å; V410-Y426 HydrophobicContact CG1-CG 3.98Å; V410-Y426 HydrophobicContact CG2-CE1 4.39Å; V410-Y426 HydrophobicContact CG2-CE2 4.02Å
411I87.6Confident83.4Confident16 Ų1668.6 Ų68.68%0.08235%0.348CS..Hα-helixtrans-57.6-43.1-179.2-65.8165.8000111P407 K413 F414 L415 L423 Y426 L427 L443P407-I411 HydrophobicContact CB-CD1 4.11Å; P407-I411 VanDerWaalsContact O-CG1 3.27Å; P407-I411 WeakPolarHBondContact O-CG1 3.46Å; P407-I411 PolarHBondContact O-N 3.42Å; I411-K413 VanDerWaalsContact C-N 3.26Å; I411-K413 PolarHBondContact O-N 3.33Å; I411-F414 PolarHBondContact O-N 3.28Å; I411-L415 HydrophobicContact CG2-CD1 4.25Å; I411-L415 HydrophobicContact CG2-CG 4.18Å; I411-L415 WeakPolarHBondContact O-CG 3.41Å; I411-L415 PolarHBondContact O-N 2.96Å; I411-L415 VanDerWaalsContact O-N 3.12Å; I411-L423 HydrophobicContact CB-CD1 4.35Å; I411-L423 HydrophobicContact CG1-CD1 4.05Å; I411-L423 HydrophobicContact CG2-CD1 4.28Å; I411-Y426 HydrophobicContact CG1-CE1 4.48Å; I411-L427 HydrophobicContact CD1-CD2 4.13Å; I411-L427 HydrophobicContact CG1-CD2 4.43Å; I411-L443 HydrophobicContact CG2-CD2 3.62Å
412R86.9Confident83.4Confident201 Ų20169.6 Ų69.676%0.75835%0.353SS*.Hα-helixtrans-59.2-33.7176.7-76.4176.3-176.9178.83.4113.5S408 V410S408-R412 WeakPolarHBondContact O-CB 3.08Å; S408-R412 VanDerWaalsContact O-CG 3.22Å; S408-R412 WeakPolarHBondContact O-CG 3.28Å; S408-R412 PolarHBondContact O-N 2.95Å; V410-R412 VanDerWaalsContact C-N 3.3Å; V410-R412 PolarHBondContact O-N 3.23Å
413K85.9Confident83.8Confident52 Ų5268.8 Ų68.823%0.22635%0.348CS..Hα-helixtrans-76.4-29.8178.1-68.2-172179.8-160.50113.2D383 Y386 Y409 V410 I411D383-K413 IonicContact OD1-NZ 3.76Å; D383-K413 PolarHBondContact OD1-NZ 3.26Å; Y386-K413 HydrophobicContact CE2-CB 4Å; Y386-K413 PolarHBondContact OH-O 3.3Å; Y409-K413 HydrophobicContact CE1-CD 4.21Å; Y409-K413 VanDerWaalsContact CE1-CE 3.49Å; Y409-K413 VanDerWaalsContact CZ-CE 3.44Å; Y409-K413 WeakPolarHBondContact OH-CE 3.33Å; Y409-K413 PolarHBondContact OH-NZ 2.82Å; V410-K413 PolarHBondContact O-N 3.16Å; I411-K413 VanDerWaalsContact C-N 3.26Å; I411-K413 PolarHBondContact O-N 3.33Å
414F86.4Confident84.3Confident0 Ų066.5 Ų66.50%032%0.323CS..Hα-helixtrans-110.614-172.2-69.8-92.3000114.6Y386 H391 A394 I395 Y398 V410 I411 D416 R419 N422 L423Y386-F414 HydrophobicContact CD2-CE1 4.16Å; Y386-F414 AromaticContact CD2-CE2 3.87Å; Y386-F414 HydrophobicContact CD2-CE2 3.87Å; Y386-F414 AromaticContact CD2-CZ 3.55Å; Y386-F414 HydrophobicContact CD2-CZ 3.55Å; Y386-F414 HydrophobicContact CE2-CD1 4.47Å; Y386-F414 HydrophobicContact CE2-CD2 4.39Å; Y386-F414 HydrophobicContact CE2-CE1 4.06Å; Y386-F414 AromaticContact CE2-CE2 3.95Å; Y386-F414 HydrophobicContact CE2-CE2 3.95Å; Y386-F414 AromaticContact CE2-CZ 3.79Å; Y386-F414 HydrophobicContact CE2-CZ 3.79Å; H391-F414 HydrophobicContact CB-CE1 4.14Å; A394-F414 HydrophobicContact CB-CZ 4.38Å; I395-F414 HydrophobicContact CB-CZ 4.4Å; I395-F414 HydrophobicContact CD1-CD2 4Å; I395-F414 HydrophobicContact CD1-CE1 4.29Å; I395-F414 HydrophobicContact CD1-CE2 3.79Å; I395-F414 HydrophobicContact CD1-CG 4.36Å; I395-F414 HydrophobicContact CD1-CZ 3.92Å; Y398-F414 AromaticContact CD2-CE2 3.86Å; Y398-F414 HydrophobicContact CD2-CE2 3.86Å; Y398-F414 HydrophobicContact CD2-CZ 4.33Å; Y398-F414 AromaticContact CE2-CE2 3.7Å; Y398-F414 HydrophobicContact CE2-CE2 3.7Å; Y398-F414 HydrophobicContact CE2-CZ 4.18Å; V410-F414 HydrophobicContact CG1-CD2 3.89Å; V410-F414 HydrophobicContact CG1-CE2 4.1Å; V410-F414 WeakPolarHBondContact O-CD2 3.23Å; V410-F414 PolarHBondContact O-N 2.88Å; I411-F414 PolarHBondContact O-N 3.28Å; F414-D416 PolarHBondContact O-N 3.44Å; F414-R419 HydrophobicContact CD1-CB 4.43Å; F414-N422 HydrophobicContact CD1-CB 3.82Å; F414-N422 HydrophobicContact CE1-CB 4.02Å; F414-L423 HydrophobicContact CB-CB 4.16Å; F414-L423 HydrophobicContact CB-CD1 4.36Å
415L83.9Confident84.6Confident103 Ų10362.2 Ų62.254%0.53931%0.31SS..  trans-68-10.8178.1-98162.4000114.9I411I411-L415 HydrophobicContact CG2-CD1 4.25Å; I411-L415 HydrophobicContact CG2-CG 4.18Å; I411-L415 WeakPolarHBondContact O-CG 3.41Å; I411-L415 PolarHBondContact O-N 2.96Å; I411-L415 VanDerWaalsContact O-N 3.12Å
416D79.4Confident84.8Confident76 Ų7660.8 Ų60.841%0.40630%0.302SS..SBendtrans-62.3135.2178.2-170.4-13.8000111.6F414 Q418 R419F414-D416 PolarHBondContact O-N 3.44Å; D416-Q418 PolarHBondContact O-N 2.99Å; D416-Q418 VanDerWaalsContact O-N 3.16Å; D416-Q418 PolarHBondContact OD1-N 3.17Å; D416-R419 HydrophobicContact CB-CG 4.46Å; D416-R419 PolarHBondContact O-N 2.95Å
417A68.3Low84.9Confident73 Ų7354 Ų5460%0.60327%0.271SS*.G310 helixtrans-59.2-26.5-18000000113.1R419 I420A417-R419 PolarHBondContact O-N 3.1Å; A417-I420 HydrophobicContact CB-CD1 4.36Å; A417-I420 VanDerWaalsContact O-CD1 3.28Å; A417-I420 WeakPolarHBondContact O-CD1 3.49Å; A417-I420 VanDerWaalsContact O-CG1 3.31Å; A417-I420 WeakPolarHBondContact O-CG1 3.43Å
418Q78.4Confident84.9Confident170 Ų17054.7 Ų54.779%0.79427%0.271SS*.G310 helixtrans-71.5-15.6175.6-63.1-174.41.100113.2D416D416-Q418 PolarHBondContact O-N 2.99Å; D416-Q418 VanDerWaalsContact O-N 3.16Å; D416-Q418 PolarHBondContact OD1-N 3.17Å
419R82.9Confident84.8Confident55 Ų5552.7 Ų52.721%0.20826%0.258CS..G310 helixtrans-120.217.4-169.1-56.5178.1-172.2-167.8-6.3113.2Y386 H391 F414 D416 A417 H421 N422 L423Y386-R419 VanDerWaalsContact CZ-NH1 3.31Å; Y386-R419 PolarHBondContact OH-NH1 2.84Å; H391-R419 VanDerWaalsContact CE1-CZ 3.47Å; H391-R419 PolarHBondContact CE1-NH1 2.93Å; H391-R419 PolarHBondContact CE1-NH2 2.86Å; H391-R419 PolarHBondContact ND1-NH1 3.48Å; H391-R419 PolarHBondContact NE2-NH1 3.1Å; H391-R419 PolarHBondContact NE2-NH2 3.19Å; F414-R419 HydrophobicContact CD1-CB 4.43Å; D416-R419 HydrophobicContact CB-CG 4.46Å; D416-R419 PolarHBondContact O-N 2.95Å; A417-R419 PolarHBondContact O-N 3.1Å; R419-H421 PolarHBondContact O-N 3.19Å; R419-H421 VanDerWaalsContact O-N 3.13Å; R419-N422 PolarHBondContact O-N 3.23Å; R419-L423 PolarHBondContact O-N 3.49Å; R419-L423 VanDerWaalsContact O-N 3.17Å
420I83.9Confident84.8Confident25 Ų2549 Ų4913%0.12824%0.244CC..Hα-helixtrans-55.4-34.6-178.3-63168000111.2A417 N422 L423 T424 C447 K450 L451A417-I420 HydrophobicContact CB-CD1 4.36Å; A417-I420 VanDerWaalsContact O-CD1 3.28Å; A417-I420 WeakPolarHBondContact O-CD1 3.49Å; A417-I420 VanDerWaalsContact O-CG1 3.31Å; A417-I420 WeakPolarHBondContact O-CG1 3.43Å; I420-N422 PolarHBondContact O-N 3.12Å; I420-L423 PolarHBondContact O-N 3.07Å; I420-T424 VanDerWaalsContact O-CB 3.31Å; I420-T424 WeakPolarHBondContact O-CB 3.43Å; I420-T424 PolarHBondContact O-N 3.09Å; I420-T424 PolarHBondContact O-OG1 3.5Å; I420-C447 HydrophobicContact CG2-CB 3.81Å; I420-K450 HydrophobicContact CD1-CB 4.48Å; I420-K450 HydrophobicContact CD1-CD 4.34Å; I420-L451 HydrophobicContact CB-CD2 4.25Å; I420-L451 HydrophobicContact CG2-CD1 3.89Å; I420-L451 HydrophobicContact CG2-CD2 3.94Å; I420-L451 HydrophobicContact CG2-CG 3.75Å
421H85.6Confident84.4Confident132 Ų13250.6 Ų50.661%0.61125%0.251SS*.Hα-helixtrans-60.5-42.5176.4-64-66.6000113.1R419 T424 A425 L451R419-H421 PolarHBondContact O-N 3.19Å; R419-H421 VanDerWaalsContact O-N 3.13Å; H421-T424 PolarHBondContact O-N 3.47Å; H421-A425 PolarHBondContact O-N 3Å; H421-L451 VanDerWaalsContact CE1-CD2 3.42Å; H421-L451 WeakPolarHBondContact CE1-CD2 3.34Å
422N87.5Confident84.1Confident22 Ų2259.8 Ų59.812%0.11829%0.285CS..Hα-helixtrans-70.9-42.4179-72.9-26.6000111.5D392 I395 F414 R419 I420 T424 A425 Y426D392-N422 PolarHBondContact OD1-ND2 2.89Å; D392-N422 PolarHBondContact OD1-OD1 2.88Å; I395-N422 HydrophobicContact CB-CB 4.47Å; I395-N422 HydrophobicContact CG1-CB 4.46Å; I395-N422 WeakPolarHBondContact CG1-O 3.35Å; I395-N422 HydrophobicContact CG2-CB 4.43Å; F414-N422 HydrophobicContact CD1-CB 3.82Å; F414-N422 HydrophobicContact CE1-CB 4.02Å; R419-N422 PolarHBondContact O-N 3.23Å; I420-N422 PolarHBondContact O-N 3.12Å; N422-T424 VanDerWaalsContact C-N 3.29Å; N422-T424 PolarHBondContact O-N 3.17Å; N422-A425 PolarHBondContact O-N 3.29Å; N422-Y426 PolarHBondContact O-N 2.55Å; N422-Y426 VanDerWaalsContact O-N 3.13Å
423L89Confident83.8Confident6 Ų654.2 Ų54.23%0.03127%0.267CS..Hα-helixtrans-60.1-41.6173.1-178.460000111.7I411 F414 R419 I420 Y426 L427 L443I411-L423 HydrophobicContact CB-CD1 4.35Å; I411-L423 HydrophobicContact CG1-CD1 4.05Å; I411-L423 HydrophobicContact CG2-CD1 4.28Å; F414-L423 HydrophobicContact CB-CB 4.16Å; F414-L423 HydrophobicContact CB-CD1 4.36Å; R419-L423 PolarHBondContact O-N 3.49Å; R419-L423 VanDerWaalsContact O-N 3.17Å; I420-L423 PolarHBondContact O-N 3.07Å; L423-Y426 PolarHBondContact O-N 3.09Å; L423-L427 HydrophobicContact CD1-CD1 4.2Å; L423-L427 HydrophobicContact CD1-CG 4.27Å; L423-L427 HydrophobicContact CG-CD1 3.97Å; L423-L427 HydrophobicContact CG-CG 4.46Å; L423-L427 WeakPolarHBondContact O-CG 3.43Å; L423-L427 PolarHBondContact O-N 2.68Å; L423-L443 HydrophobicContact CD2-CD2 4.22Å
424T86.9Confident83.3Confident8 Ų857.1 Ų57.15%0.04929%0.294CS..Hα-helixtrans-61.3-46177.7-56.60000110.9I420 H421 N422 Y426 L427 Q428 L444 C447 Y448I420-T424 VanDerWaalsContact O-CB 3.31Å; I420-T424 WeakPolarHBondContact O-CB 3.43Å; I420-T424 PolarHBondContact O-N 3.09Å; I420-T424 PolarHBondContact O-OG1 3.5Å; H421-T424 PolarHBondContact O-N 3.47Å; N422-T424 VanDerWaalsContact C-N 3.29Å; N422-T424 PolarHBondContact O-N 3.17Å; T424-Y426 VanDerWaalsContact C-N 3.32Å; T424-Y426 PolarHBondContact O-N 3.04Å; T424-L427 PolarHBondContact O-N 3.17Å; T424-Q428 HydrophobicContact CG2-CG 4.34Å; T424-Q428 WeakPolarHBondContact O-CB 3.37Å; T424-Q428 VanDerWaalsContact O-CG 3.26Å; T424-Q428 WeakPolarHBondContact O-CG 3.36Å; T424-Q428 PolarHBondContact O-N 3.19Å; T424-L444 HydrophobicContact CG2-CD1 3.88Å; T424-C447 WeakPolarHBondContact OG1-CB 3.42Å; T424-Y448 HydrophobicContact CG2-CD1 4.45Å; T424-Y448 HydrophobicContact CG2-CE1 3.91Å
425A86.9Confident82.9Confident29 Ų2961 Ų6124%0.2432%0.315CS..Hα-helixtrans-60.5-40.3178.300000112.5H421 N422 A429H421-A425 PolarHBondContact O-N 3Å; N422-A425 PolarHBondContact O-N 3.29Å; A425-A429 PolarHBondContact O-N 3.45Å; A425-A429 VanDerWaalsContact O-N 3.08Å
426Y88.6Confident82.5Confident1 Ų157.2 Ų57.20%0.00430%0.298CS..Hα-helixtrans-66.1-48.3176-177.7-101.9000112.4I395 I399 T402 P407 V410 I411 N422 L423 T424 Q428 A429 L430I395-Y426 HydrophobicContact CD1-CD2 4.13Å; I395-Y426 HydrophobicContact CD1-CG 4.11Å; I399-Y426 HydrophobicContact CG1-CD2 3.97Å; T402-Y426 HydrophobicContact CG2-CE2 4.06Å; P407-Y426 HydrophobicContact CB-CE1 4.31Å; V410-Y426 HydrophobicContact CB-CD1 4.32Å; V410-Y426 HydrophobicContact CB-CE1 3.86Å; V410-Y426 HydrophobicContact CB-CE2 4.17Å; V410-Y426 HydrophobicContact CG1-CD1 4.02Å; V410-Y426 HydrophobicContact CG1-CD2 3.95Å; V410-Y426 HydrophobicContact CG1-CE1 4.05Å; V410-Y426 HydrophobicContact CG1-CE2 3.98Å; V410-Y426 HydrophobicContact CG1-CG 3.98Å; V410-Y426 HydrophobicContact CG2-CE1 4.39Å; V410-Y426 HydrophobicContact CG2-CE2 4.02Å; I411-Y426 HydrophobicContact CG1-CE1 4.48Å; N422-Y426 PolarHBondContact O-N 2.55Å; N422-Y426 VanDerWaalsContact O-N 3.13Å; L423-Y426 PolarHBondContact O-N 3.09Å; T424-Y426 VanDerWaalsContact C-N 3.32Å; T424-Y426 PolarHBondContact O-N 3.04Å; Y426-Q428 VanDerWaalsContact C-N 3.32Å; Y426-Q428 PolarHBondContact O-N 3.42Å; Y426-A429 PolarHBondContact O-N 2.88Å; Y426-L430 HydrophobicContact CD1-CD1 4.36Å; Y426-L430 HydrophobicContact CE1-CD1 3.69Å; Y426-L430 WeakPolarHBondContact O-CB 3.38Å; Y426-L430 PolarHBondContact O-N 2.89Å
427L87.5Confident82.6Confident0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-62.7-37.8178.2-69.3172.4000112.1I411 L423 T424 L430 H431 H440 L443 L444I411-L427 HydrophobicContact CD1-CD2 4.13Å; I411-L427 HydrophobicContact CG1-CD2 4.43Å; L423-L427 HydrophobicContact CD1-CD1 4.2Å; L423-L427 HydrophobicContact CD1-CG 4.27Å; L423-L427 HydrophobicContact CG-CD1 3.97Å; L423-L427 HydrophobicContact CG-CG 4.46Å; L423-L427 WeakPolarHBondContact O-CG 3.43Å; L423-L427 PolarHBondContact O-N 2.68Å; T424-L427 PolarHBondContact O-N 3.17Å; L427-L430 WeakPolarHBondContact O-CB 3.44Å; L427-L430 PolarHBondContact O-N 3.05Å; L427-H431 PolarHBondContact O-CD2 3.14Å; L427-H431 PolarHBondContact O-N 2.97Å; L427-H440 HydrophobicContact CD2-CB 4.02Å; L427-L443 HydrophobicContact CD1-CB 4.2Å; L427-L443 HydrophobicContact CD1-CD2 4.07Å; L427-L443 HydrophobicContact CD1-CG 3.97Å; L427-L444 HydrophobicContact CB-CB 4.25Å; L427-L444 HydrophobicContact CB-CD1 3.99Å; L427-L444 HydrophobicContact CD1-CB 4.15Å
428Q85.3Confident82.8Confident47 Ų4756.6 Ų56.622%0.2229%0.289CS..Hα-helixtrans-62-44.7173.1-76.7175.6-17.200112.3T424 Y426 L430 H431 R432 L444 Y448T424-Q428 HydrophobicContact CG2-CG 4.34Å; T424-Q428 WeakPolarHBondContact O-CB 3.37Å; T424-Q428 VanDerWaalsContact O-CG 3.26Å; T424-Q428 WeakPolarHBondContact O-CG 3.36Å; T424-Q428 PolarHBondContact O-N 3.19Å; Y426-Q428 VanDerWaalsContact C-N 3.32Å; Y426-Q428 PolarHBondContact O-N 3.42Å; Q428-L430 VanDerWaalsContact C-N 3.26Å; Q428-L430 PolarHBondContact O-N 2.64Å; Q428-H431 PolarHBondContact O-N 2.78Å; Q428-R432 WeakPolarHBondContact O-CG 3.39Å; Q428-R432 PolarHBondContact O-N 2.73Å; Q428-L444 HydrophobicContact CG-CD1 4.22Å; Q428-Y448 PolarHBondContact NE2-OH 2.94Å
429A85.3Confident82.8Confident10 Ų1054.3 Ų54.38%0.08328%0.282CS..Hα-helixtrans-62.3-38.5177.100000111.6I399 A425 Y426 R432 Q433I399-A429 HydrophobicContact CB-CB 4.43Å; I399-A429 HydrophobicContact CD1-CB 4.25Å; I399-A429 HydrophobicContact CG1-CB 3.96Å; I399-A429 HydrophobicContact CG2-CB 3.69Å; A425-A429 PolarHBondContact O-N 3.45Å; A425-A429 VanDerWaalsContact O-N 3.08Å; Y426-A429 PolarHBondContact O-N 2.88Å; A429-R432 PolarHBondContact O-N 3.4Å; A429-Q433 WeakPolarHBondContact O-CG 3.46Å; A429-Q433 PolarHBondContact O-N 2.92Å
430L86Confident82.8Confident3 Ų352.7 Ų52.72%0.01628%0.277CS..Hα-helixtrans-64.3-40.9177.5-150.7157.1000111.5P407 Y426 L427 Q428 Q433 S434 L435 A436P407-L430 HydrophobicContact CB-CD1 3.68Å; P407-L430 HydrophobicContact CG-CD1 3.69Å; Y426-L430 HydrophobicContact CD1-CD1 4.36Å; Y426-L430 HydrophobicContact CE1-CD1 3.69Å; Y426-L430 WeakPolarHBondContact O-CB 3.38Å; Y426-L430 PolarHBondContact O-N 2.89Å; L427-L430 WeakPolarHBondContact O-CB 3.44Å; L427-L430 PolarHBondContact O-N 3.05Å; Q428-L430 VanDerWaalsContact C-N 3.26Å; Q428-L430 PolarHBondContact O-N 2.64Å; L430-Q433 PolarHBondContact O-N 3.09Å; L430-S434 PolarHBondContact O-N 3.38Å; L430-L435 HydrophobicContact CD2-CB 4.12Å; L430-L435 WeakPolarHBondContact CD2-O 3.23Å; L430-L435 PolarHBondContact O-N 3.2Å; L430-A436 HydrophobicContact CD2-CB 3.56Å; L430-A436 VanDerWaalsContact CD2-N 3.34Å
431H79.3Confident82.5Confident33 Ų3351.5 Ų51.515%0.15327%0.271CS..Hα-helixtrans-65.6-43.4171.9-93.6-84000113.6L427 Q428 Q433 S434 A436 T441 F460L427-H431 PolarHBondContact O-CD2 3.14Å; L427-H431 PolarHBondContact O-N 2.97Å; Q428-H431 PolarHBondContact O-N 2.78Å; H431-Q433 PolarHBondContact O-N 3.24Å; H431-Q433 VanDerWaalsContact O-N 3.16Å; H431-S434 PolarHBondContact O-N 2.62Å; H431-A436 HydrophobicContact CB-CB 4.48Å; H431-T441 PolarHBondContact CE1-OG1 2.92Å; H431-T441 WeakPolarHBondContact NE2-CA 3.28Å; H431-T441 PolarHBondContact NE2-OG1 2.8Å; H431-F460 AromaticContact CE1-CZ 3.98Å
432R82.2Confident82.2Confident210 Ų21046 Ų4679%0.79225%0.247SC*.Hα-helixtrans-59.6-26.7177.6-75.3178.6-175.3162.22.5112.8Q428 A429Q428-R432 WeakPolarHBondContact O-CG 3.39Å; Q428-R432 PolarHBondContact O-N 2.73Å; A429-R432 PolarHBondContact O-N 3.4Å
433Q80.3Confident81.9Confident83 Ų8346.9 Ų46.939%0.38825%0.251SS..THydrogen-bonded Turntrans-94.76.2177.7-65.1178.615.200113.3T402 A429 L430 H431 L435T402-Q433 PolarHBondContact OG1-NE2 3.35Å; T402-Q433 PolarHBondContact OG1-OE1 3.39Å; A429-Q433 WeakPolarHBondContact O-CG 3.46Å; A429-Q433 PolarHBondContact O-N 2.92Å; L430-Q433 PolarHBondContact O-N 3.09Å; H431-Q433 PolarHBondContact O-N 3.24Å; H431-Q433 VanDerWaalsContact O-N 3.16Å; Q433-L435 HydrophobicContact CB-CD1 4.25Å; Q433-L435 HydrophobicContact CB-CG 4.38Å; Q433-L435 PolarHBondContact O-N 2.98Å; Q433-L435 VanDerWaalsContact O-N 3.15Å
434S75.9Confident81.7Confident114 Ų11446.7 Ų46.780%0.79725%0.25SS*.THydrogen-bonded Turntrans57.221.8-178.461.90000115.6L430 H431L430-S434 PolarHBondContact O-N 3.38Å; H431-S434 PolarHBondContact O-N 2.62Å
435L77.4Confident81.3Confident82 Ų8246.5 Ų46.543%0.42925%0.249SC..  trans-95.58.3179-66.8171.6000112.7L430 Q433L430-L435 HydrophobicContact CD2-CB 4.12Å; L430-L435 WeakPolarHBondContact CD2-O 3.23Å; L430-L435 PolarHBondContact O-N 3.2Å; Q433-L435 HydrophobicContact CB-CD1 4.25Å; Q433-L435 HydrophobicContact CB-CG 4.38Å; Q433-L435 PolarHBondContact O-N 2.98Å; Q433-L435 VanDerWaalsContact O-N 3.15Å
436A76.7Confident81Confident22 Ų2247.8 Ų47.818%0.18225%0.252CS..  trans-86.8128.9-171.700000112.2L430 H431 H440L430-A436 HydrophobicContact CD2-CB 3.56Å; L430-A436 VanDerWaalsContact CD2-N 3.34Å; H431-A436 HydrophobicContact CB-CB 4.48Å; A436-H440 HydrophobicContact CB-CB 4.45Å
437N80.1Confident80.7Confident101 Ų10148 Ų4854%0.5425%0.254SS..  trans-84.9168.1173.3-64.99.6000111.2D439 H440 T441N437-D439 VanDerWaalsContact C-N 3.26Å; N437-D439 PolarHBondContact O-N 2.97Å; N437-H440 WeakPolarHBondContact O-CB 3.38Å; N437-H440 PolarHBondContact O-N 2.93Å; N437-H440 VanDerWaalsContact O-N 3.07Å; N437-T441 PolarHBondContact O-N 3.12Å; N437-T441 VanDerWaalsContact O-N 3.08Å; N437-T441 PolarHBondContact O-OG1 3.31Å; N437-T441 VanDerWaalsContact O-OG1 3.07Å
438A73.1Confident80.4Confident35 Ų3548.6 Ų48.629%0.28926%0.256SS..Hα-helixtrans-55.3-39.8177.200000113.1T441 T442 H469A438-T441 PolarHBondContact O-N 3.12Å; A438-T442 PolarHBondContact O-N 2.89Å; A438-T442 PolarHBondContact O-OG1 3.48Å; A438-H469 WeakPolarHBondContact CA-O 3.4Å; A438-H469 VanDerWaalsContact CB-O 3.3Å; A438-H469 WeakPolarHBondContact CB-O 3.5Å; A438-H469 PolarHBondContact N-O 2.95Å
439D78.8Confident80.1Confident122 Ų12247.4 Ų47.465%0.65225%0.252SS*.Hα-helixtrans-65.5-38.9177.4-65-24.4000112.4N437 T441 T442 L443N437-D439 VanDerWaalsContact C-N 3.26Å; N437-D439 PolarHBondContact O-N 2.97Å; D439-T441 VanDerWaalsContact C-N 3.33Å; D439-T442 PolarHBondContact O-N 3.44Å; D439-L443 WeakPolarHBondContact O-CB 3.44Å; D439-L443 PolarHBondContact O-N 3.33Å
440H81.5Confident79.8Confident21 Ų2154.4 Ų54.410%0.09728%0.281CS..Hα-helixtrans-67.1-38.6178.4-61-22.8000111.1L427 A436 N437 L443 L444L427-H440 HydrophobicContact CD2-CB 4.02Å; A436-H440 HydrophobicContact CB-CB 4.45Å; N437-H440 WeakPolarHBondContact O-CB 3.38Å; N437-H440 PolarHBondContact O-N 2.93Å; N437-H440 VanDerWaalsContact O-N 3.07Å; H440-L443 PolarHBondContact O-N 2.95Å; H440-L444 WeakPolarHBondContact O-CB 3.35Å; H440-L444 PolarHBondContact O-N 2.93Å
441T77.9Confident79.5Confident0 Ų056.6 Ų56.60%029%0.292CS..Hα-helixtrans-66.3-42.6175.6-44.70000111.6H431 N437 A438 D439 L443 L444 L445 F460 V468 F470H431-T441 PolarHBondContact CE1-OG1 2.92Å; H431-T441 WeakPolarHBondContact NE2-CA 3.28Å; H431-T441 PolarHBondContact NE2-OG1 2.8Å; N437-T441 PolarHBondContact O-N 3.12Å; N437-T441 VanDerWaalsContact O-N 3.08Å; N437-T441 PolarHBondContact O-OG1 3.31Å; N437-T441 VanDerWaalsContact O-OG1 3.07Å; A438-T441 PolarHBondContact O-N 3.12Å; D439-T441 VanDerWaalsContact C-N 3.33Å; T441-L443 VanDerWaalsContact C-N 3.35Å; T441-L443 PolarHBondContact O-N 3.36Å; T441-L444 WeakPolarHBondContact O-CB 3.48Å; T441-L444 PolarHBondContact O-N 3.48Å; T441-L445 HydrophobicContact CG2-CD1 4.39Å; T441-L445 WeakPolarHBondContact O-CG 3.49Å; T441-L445 PolarHBondContact O-N 2.92Å; T441-F460 HydrophobicContact CG2-CE1 4.07Å; T441-F460 HydrophobicContact CG2-CZ 3.9Å; T441-V468 HydrophobicContact CG2-CG1 4.04Å; T441-F470 VanDerWaalsContact CB-CB 3.5Å; T441-F470 HydrophobicContact CG2-CB 3.42Å; T441-F470 VanDerWaalsContact CG2-CB 3.42Å; T441-F470 HydrophobicContact CG2-CD1 4.02Å; T441-F470 HydrophobicContact CG2-CG 3.81Å
442T79.1Confident79.3Confident16 Ų1662.9 Ų62.910%0.09832%0.319CS..Hα-helixtrans-63.4-42.4176.2-57.40000111.1A438 D439 L444 L445 N446 I474A438-T442 PolarHBondContact O-N 2.89Å; A438-T442 PolarHBondContact O-OG1 3.48Å; D439-T442 PolarHBondContact O-N 3.44Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 PolarHBondContact O-N 3.23Å; T442-L445 PolarHBondContact O-N 2.98Å; T442-N446 WeakPolarHBondContact O-CB 3.48Å; T442-N446 PolarHBondContact O-N 3.14Å; T442-N446 PolarHBondContact O-ND2 2.85Å; T442-I474 HydrophobicContact CG2-CG2 3.57Å
443L82.4Confident78.9Confident42 Ų4255 Ų5522%0.2229%0.292CS..Hα-helixtrans-64-38.6175.3-171.362.7000111.5I411 L423 L427 D439 H440 T441 N446 C447I411-L443 HydrophobicContact CG2-CD2 3.62Å; L423-L443 HydrophobicContact CD2-CD2 4.22Å; L427-L443 HydrophobicContact CD1-CB 4.2Å; L427-L443 HydrophobicContact CD1-CD2 4.07Å; L427-L443 HydrophobicContact CD1-CG 3.97Å; D439-L443 WeakPolarHBondContact O-CB 3.44Å; D439-L443 PolarHBondContact O-N 3.33Å; H440-L443 PolarHBondContact O-N 2.95Å; T441-L443 VanDerWaalsContact C-N 3.35Å; T441-L443 PolarHBondContact O-N 3.36Å; L443-N446 WeakPolarHBondContact O-CB 3.49Å; L443-N446 PolarHBondContact O-N 2.85Å; L443-C447 PolarHBondContact O-N 3.34Å; L443-C447 PolarHBondContact O-SG 3.2Å
444L83.8Confident78.3Confident1 Ų153.7 Ų53.71%0.00529%0.293CS..Hα-helixtrans-63.9-43.9175.5-179.760.2000111.9T424 L427 Q428 H440 T441 T442 N446 C447 Y448 F460T424-L444 HydrophobicContact CG2-CD1 3.88Å; L427-L444 HydrophobicContact CB-CB 4.25Å; L427-L444 HydrophobicContact CB-CD1 3.99Å; L427-L444 HydrophobicContact CD1-CB 4.15Å; Q428-L444 HydrophobicContact CG-CD1 4.22Å; H440-L444 WeakPolarHBondContact O-CB 3.35Å; H440-L444 PolarHBondContact O-N 2.93Å; T441-L444 WeakPolarHBondContact O-CB 3.48Å; T441-L444 PolarHBondContact O-N 3.48Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 PolarHBondContact O-N 3.23Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.22Å; L444-C447 WeakPolarHBondContact O-CB 3.4Å; L444-C447 PolarHBondContact O-N 3.34Å; L444-C447 VanDerWaalsContact O-N 3.12Å; L444-Y448 HydrophobicContact CD1-CD2 4.29Å; L444-Y448 HydrophobicContact CD1-CE1 4.47Å; L444-Y448 HydrophobicContact CD1-CE2 3.76Å; L444-Y448 HydrophobicContact CD2-CE2 4.09Å; L444-Y448 HydrophobicContact CG-CD2 4.09Å; L444-Y448 HydrophobicContact CG-CE2 3.62Å; L444-Y448 WeakPolarHBondContact O-CD2 3.29Å; L444-Y448 PolarHBondContact O-N 3.3Å; L444-F460 HydrophobicContact CD2-CD2 4.49Å; L444-F460 HydrophobicContact CD2-CE2 3.85Å; L444-F460 HydrophobicContact CD2-CZ 3.99Å
445L78.6Confident78.2Confident5 Ų552.2 Ų52.23%0.02628%0.282CS..Hα-helixtrans-60.3-42.4173.2-77.3159.8000111.9T441 T442 C447 Y448 T449 L457 F460 F470 A475T441-L445 HydrophobicContact CG2-CD1 4.39Å; T441-L445 WeakPolarHBondContact O-CG 3.49Å; T441-L445 PolarHBondContact O-N 2.92Å; T442-L445 PolarHBondContact O-N 2.98Å; L445-C447 VanDerWaalsContact C-N 3.3Å; L445-C447 PolarHBondContact O-N 3.4Å; L445-Y448 PolarHBondContact O-N 3.47Å; L445-T449 WeakPolarHBondContact O-CG2 3.42Å; L445-T449 PolarHBondContact O-N 3.17Å; L445-T449 PolarHBondContact O-OG1 3.39Å; L445-L457 HydrophobicContact CD2-CD1 3.65Å; L445-F460 HydrophobicContact CD2-CD1 4.42Å; L445-F460 HydrophobicContact CD2-CE1 4.48Å; L445-F470 HydrophobicContact CD1-CD2 4.47Å; L445-A475 HydrophobicContact CD1-CB 3.76Å
446N80.5Confident77.9Confident55 Ų5552.9 Ų52.929%0.29428%0.282SS..Hα-helixtrans-63.2-35.8173.5-75.6-25.8000112.3T442 L443 L444 T449 K450 V478T442-N446 WeakPolarHBondContact O-CB 3.48Å; T442-N446 PolarHBondContact O-N 3.14Å; T442-N446 PolarHBondContact O-ND2 2.85Å; L443-N446 WeakPolarHBondContact O-CB 3.49Å; L443-N446 PolarHBondContact O-N 2.85Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.22Å; N446-T449 WeakPolarHBondContact CA-OG1 3.29Å; N446-T449 PolarHBondContact O-OG1 3.4Å; N446-T449 VanDerWaalsContact O-OG1 3.04Å; N446-K450 WeakPolarHBondContact O-CB 3.5Å; N446-K450 WeakPolarHBondContact O-CG 3.46Å; N446-K450 PolarHBondContact O-N 2.98Å; N446-K450 VanDerWaalsContact O-N 3.17Å; N446-V478 VanDerWaalsContact OD1-CG1 3.22Å; N446-V478 WeakPolarHBondContact OD1-CG1 3.33Å; N446-V478 WeakPolarHBondContact OD1-CG2 3.26Å
447C82.9Confident77.8Confident7 Ų752 Ų525%0.04727%0.274CS..Hα-helixtrans-66.1-47.1173.9-66.30000111.1I420 T424 L443 L444 L445 T449 K450 L451I420-C447 HydrophobicContact CG2-CB 3.81Å; T424-C447 WeakPolarHBondContact OG1-CB 3.42Å; L443-C447 PolarHBondContact O-N 3.34Å; L443-C447 PolarHBondContact O-SG 3.2Å; L444-C447 WeakPolarHBondContact O-CB 3.4Å; L444-C447 PolarHBondContact O-N 3.34Å; L444-C447 VanDerWaalsContact O-N 3.12Å; L445-C447 VanDerWaalsContact C-N 3.3Å; L445-C447 PolarHBondContact O-N 3.4Å; C447-T449 PolarHBondContact O-N 3.09Å; C447-K450 PolarHBondContact O-N 3.44Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 VanDerWaalsContact O-CG 3.28Å; C447-L451 WeakPolarHBondContact O-CG 3.42Å; C447-L451 PolarHBondContact O-N 3.42Å
448Y81.6Confident77.4Confident11 Ų1150.7 Ų50.74%0.04326%0.264CS..Hα-helixtrans-62.7-43.6179.2-73-45.9000113.3T424 Q428 L444 L445 K450 L451 K452 D453 K456 L457 F460T424-Y448 HydrophobicContact CG2-CD1 4.45Å; T424-Y448 HydrophobicContact CG2-CE1 3.91Å; Q428-Y448 PolarHBondContact NE2-OH 2.94Å; L444-Y448 HydrophobicContact CD1-CD2 4.29Å; L444-Y448 HydrophobicContact CD1-CE1 4.47Å; L444-Y448 HydrophobicContact CD1-CE2 3.76Å; L444-Y448 HydrophobicContact CD2-CE2 4.09Å; L444-Y448 HydrophobicContact CG-CD2 4.09Å; L444-Y448 HydrophobicContact CG-CE2 3.62Å; L444-Y448 WeakPolarHBondContact O-CD2 3.29Å; L444-Y448 PolarHBondContact O-N 3.3Å; L445-Y448 PolarHBondContact O-N 3.47Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 3.33Å; Y448-L451 PolarHBondContact O-N 2.61Å; Y448-K452 PolarHBondContact O-N 3.48Å; Y448-D453 PolarHBondContact O-N 2.95Å; Y448-K456 HydrophobicContact CD1-CB 4.43Å; Y448-K456 HydrophobicContact CE1-CB 3.99Å; Y448-K456 HydrophobicContact CE1-CD 4.38Å; Y448-L457 HydrophobicContact CD2-CD1 4.3Å; Y448-F460 HydrophobicContact CE2-CB 4.3Å; Y448-F460 HydrophobicContact CE2-CD2 4.44Å; Y448-F460 HydrophobicContact CE2-CG 4.19Å
449T78.1Confident77.4Confident22 Ų2255.3 Ų55.314%0.13528%0.28CS..Hα-helixtrans-63.5-39.5177.750.20000111.9L445 N446 C447 K452 V478 L479 A482L445-T449 WeakPolarHBondContact O-CG2 3.42Å; L445-T449 PolarHBondContact O-N 3.17Å; L445-T449 PolarHBondContact O-OG1 3.39Å; N446-T449 WeakPolarHBondContact CA-OG1 3.29Å; N446-T449 PolarHBondContact O-OG1 3.4Å; N446-T449 VanDerWaalsContact O-OG1 3.04Å; C447-T449 PolarHBondContact O-N 3.09Å; T449-K452 PolarHBondContact O-N 3.06Å; T449-V478 HydrophobicContact CG2-CG1 4.25Å; T449-L479 HydrophobicContact CG2-CD2 4.4Å; T449-A482 HydrophobicContact CG2-CB 4.22Å
450K80.2Confident77.1Confident158 Ų15851 Ų5169%0.68726%0.256SS*.Hα-helixtrans-68.5-37.1174.1-77-174.9176.7-176.70113.5I420 N446 C447 Y448 K452I420-K450 HydrophobicContact CD1-CB 4.48Å; I420-K450 HydrophobicContact CD1-CD 4.34Å; N446-K450 WeakPolarHBondContact O-CB 3.5Å; N446-K450 WeakPolarHBondContact O-CG 3.46Å; N446-K450 PolarHBondContact O-N 2.98Å; N446-K450 VanDerWaalsContact O-N 3.17Å; C447-K450 PolarHBondContact O-N 3.44Å; Y448-K450 VanDerWaalsContact C-N 3.34Å; Y448-K450 PolarHBondContact O-N 3.33Å; K450-K452 PolarHBondContact O-N 3.24Å
451L79.5Confident76.6Confident49 Ų4950.3 Ų50.326%0.25725%0.252SS..Hα-helixtrans-75.6-10177.2-70.3178.7000113.3I420 H421 C447 Y448 D453I420-L451 HydrophobicContact CB-CD2 4.25Å; I420-L451 HydrophobicContact CG2-CD1 3.89Å; I420-L451 HydrophobicContact CG2-CD2 3.94Å; I420-L451 HydrophobicContact CG2-CG 3.75Å; H421-L451 VanDerWaalsContact CE1-CD2 3.42Å; H421-L451 WeakPolarHBondContact CE1-CD2 3.34Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 VanDerWaalsContact O-CG 3.28Å; C447-L451 WeakPolarHBondContact O-CG 3.42Å; C447-L451 PolarHBondContact O-N 3.42Å; Y448-L451 PolarHBondContact O-N 2.61Å; L451-D453 PolarHBondContact O-N 3.03Å
452K74.5Confident76.2Confident165 Ų16556 Ų5672%0.71728%0.277SS*.THydrogen-bonded Turntrans53.927.5-175.1-59.7-175.6177.6-177.50113.8Y448 T449 K450 S454Y448-K452 PolarHBondContact O-N 3.48Å; T449-K452 PolarHBondContact O-N 3.06Å; K450-K452 PolarHBondContact O-N 3.24Å; K452-S454 PolarHBondContact O-N 2.68Å; K452-S454 VanDerWaalsContact O-N 3.08Å
453D73.7Confident75.3Confident44 Ų4458.6 Ų58.624%0.23530%0.296CS..  trans-84.180.6178.9-165.6-19.1000109.5Y448 L451 S455 K456 L457Y448-D453 PolarHBondContact O-N 2.95Å; L451-D453 PolarHBondContact O-N 3.03Å; D453-S455 VanDerWaalsContact C-N 3.32Å; D453-S455 PolarHBondContact O-N 3.18Å; D453-K456 PolarHBondContact OD1-N 3.23Å; D453-K456 VanDerWaalsContact OD2-CD 3.3Å; D453-K456 WeakPolarHBondContact OD2-CD 3.48Å; D453-K456 WeakPolarHBondContact OD2-CE 3.37Å; D453-K456 WeakPolarHBondContact OD2-CG 3.17Å; D453-K456 IonicContact OD2-NZ 3.52Å; D453-K456 PolarHBondContact OD2-NZ 3.22Å; D453-L457 WeakPolarHBondContact O-CB 3.42Å; D453-L457 PolarHBondContact O-N 3Å
454S68.9Low74Confident56 Ų5657.7 Ų57.739%0.39229%0.293SS..Hα-helixtrans-65.8-32.2-174.554.60000113.2K452 E458K452-S454 PolarHBondContact O-N 2.68Å; K452-S454 VanDerWaalsContact O-N 3.08Å; S454-E458 VanDerWaalsContact O-CB 3.29Å; S454-E458 WeakPolarHBondContact O-CB 3.47Å; S454-E458 PolarHBondContact O-N 3.11Å
455S73.6Confident72.3Confident82 Ų8266.9 Ų66.957%0.57334%0.336SS*.Hα-helixtrans-71-44.6-178.4-600000112D453 L457 E458 E459D453-S455 VanDerWaalsContact C-N 3.32Å; D453-S455 PolarHBondContact O-N 3.18Å; S455-L457 VanDerWaalsContact C-N 3.33Å; S455-E458 PolarHBondContact O-N 3.42Å; S455-E459 WeakPolarHBondContact O-CB 3.42Å; S455-E459 PolarHBondContact O-N 3.01Å
456K71Confident70.6Confident97 Ų9770.8 Ų70.842%0.42236%0.364SS..Hα-helixtrans-70.2-31.9176.1-67.9-165.2-167.3112.90112.7Y448 D453 F460Y448-K456 HydrophobicContact CD1-CB 4.43Å; Y448-K456 HydrophobicContact CE1-CB 3.99Å; Y448-K456 HydrophobicContact CE1-CD 4.38Å; D453-K456 PolarHBondContact OD1-N 3.23Å; D453-K456 VanDerWaalsContact OD2-CD 3.3Å; D453-K456 WeakPolarHBondContact OD2-CD 3.48Å; D453-K456 WeakPolarHBondContact OD2-CE 3.37Å; D453-K456 WeakPolarHBondContact OD2-CG 3.17Å; D453-K456 IonicContact OD2-NZ 3.52Å; D453-K456 PolarHBondContact OD2-NZ 3.22Å; K456-F460 WeakPolarHBondContact O-CB 3.47Å; K456-F460 PolarHBondContact O-N 3.03Å
457L74.4Confident69.1Low3 Ų377.1 Ų77.12%0.01639%0.391CS..Hα-helixtrans-65.3-44.2172.9-178.564.9000111L445 Y448 D453 S455 F460 I461 L479L445-L457 HydrophobicContact CD2-CD1 3.65Å; Y448-L457 HydrophobicContact CD2-CD1 4.3Å; D453-L457 WeakPolarHBondContact O-CB 3.42Å; D453-L457 PolarHBondContact O-N 3Å; S455-L457 VanDerWaalsContact C-N 3.33Å; L457-F460 PolarHBondContact O-N 2.9Å; L457-I461 HydrophobicContact CD1-CD1 3.91Å; L457-I461 HydrophobicContact CD1-CG1 4.36Å; L457-I461 HydrophobicContact CG-CD1 3.86Å; L457-I461 WeakPolarHBondContact O-CB 3.36Å; L457-I461 VanDerWaalsContact O-CG1 3.23Å; L457-I461 WeakPolarHBondContact O-CG1 3.22Å; L457-I461 PolarHBondContact O-N 3.27Å; L457-L479 HydrophobicContact CD2-CD2 4.03Å
458E71.4Confident67.7Low74 Ų7478.7 Ų78.735%0.34640%0.401SS..Hα-helixtrans-65.4-43.7176.9-174.3174-165.600111.7S454 S455 I461 K462S454-E458 VanDerWaalsContact O-CB 3.29Å; S454-E458 WeakPolarHBondContact O-CB 3.47Å; S454-E458 PolarHBondContact O-N 3.11Å; S455-E458 PolarHBondContact O-N 3.42Å; E458-I461 PolarHBondContact O-N 3.22Å; E458-K462 HydrophobicContact CG-CD 3.89Å; E458-K462 HydrophobicContact CG-CG 4.39Å; E458-K462 VanDerWaalsContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CB 3.36Å; E458-K462 WeakPolarHBondContact O-CG 3.33Å; E458-K462 PolarHBondContact O-N 3.15Å; E458-K462 VanDerWaalsContact OE1-CE 3.24Å; E458-K462 WeakPolarHBondContact OE1-CE 3.32Å; E458-K462 IonicContact OE1-NZ 2.72Å; E458-K462 PolarHBondContact OE1-NZ 2.97Å
459E73.3Confident66.4Low132 Ų13286 Ų8662%0.61744%0.435SS*.Hα-helixtrans-58.1-50.1172.2-170.9-179.2178.100110.2S455 I461 K462 S463S455-E459 WeakPolarHBondContact O-CB 3.42Å; S455-E459 PolarHBondContact O-N 3.01Å; E459-I461 VanDerWaalsContact C-N 3.34Å; E459-I461 PolarHBondContact O-N 2.71Å; E459-K462 PolarHBondContact O-N 3.43Å; E459-S463 WeakPolarHBondContact O-CA 3.5Å; E459-S463 WeakPolarHBondContact O-CB 3.33Å; E459-S463 PolarHBondContact O-N 3.02Å; E459-S463 PolarHBondContact O-OG 3.34Å
460F71.8Confident65.7Low32 Ų3285.9 Ų85.914%0.1443%0.433CS..Hα-helixtrans-61-39.6179.7-173.9-100000113.3H431 T441 L444 L445 Y448 K456 L457H431-F460 AromaticContact CE1-CZ 3.98Å; T441-F460 HydrophobicContact CG2-CE1 4.07Å; T441-F460 HydrophobicContact CG2-CZ 3.9Å; L444-F460 HydrophobicContact CD2-CD2 4.49Å; L444-F460 HydrophobicContact CD2-CE2 3.85Å; L444-F460 HydrophobicContact CD2-CZ 3.99Å; L445-F460 HydrophobicContact CD2-CD1 4.42Å; L445-F460 HydrophobicContact CD2-CE1 4.48Å; Y448-F460 HydrophobicContact CE2-CB 4.3Å; Y448-F460 HydrophobicContact CE2-CD2 4.44Å; Y448-F460 HydrophobicContact CE2-CG 4.19Å; K456-F460 WeakPolarHBondContact O-CB 3.47Å; K456-F460 PolarHBondContact O-N 3.03Å; L457-F460 PolarHBondContact O-N 2.9Å
461I71.8Confident64.9Low5 Ų581.3 Ų81.33%0.02642%0.416CS..Hα-helixtrans-72.9-37.1178.3-69.3169.8000111.1L457 E458 E459 S464 L479 H487 F490 L491 R494L457-I461 HydrophobicContact CD1-CD1 3.91Å; L457-I461 HydrophobicContact CD1-CG1 4.36Å; L457-I461 HydrophobicContact CG-CD1 3.86Å; L457-I461 WeakPolarHBondContact O-CB 3.36Å; L457-I461 VanDerWaalsContact O-CG1 3.23Å; L457-I461 WeakPolarHBondContact O-CG1 3.22Å; L457-I461 PolarHBondContact O-N 3.27Å; E458-I461 PolarHBondContact O-N 3.22Å; E459-I461 VanDerWaalsContact C-N 3.34Å; E459-I461 PolarHBondContact O-N 2.71Å; I461-S464 PolarHBondContact O-OG 3.41Å; I461-S464 VanDerWaalsContact O-OG 3.05Å; I461-L479 HydrophobicContact CD1-CD1 4.25Å; I461-H487 HydrophobicContact CD1-CB 4.24Å; I461-F490 HydrophobicContact CG2-CD1 3.72Å; I461-F490 HydrophobicContact CG2-CE1 3.86Å; I461-L491 HydrophobicContact CG1-CD1 4.44Å; I461-L491 HydrophobicContact CG2-CD1 4.26Å; I461-R494 PolarHBondContact O-NH1 3.49Å; I461-R494 PolarHBondContact O-NH2 3.16Å
462K68.7Low64.6Low119 Ų11979.8 Ų79.852%0.51741%0.408SS..Hα-helixtrans-86.5-32.7-177.2-69.5-176-176.7177.90113.7E458 E459 S464E458-K462 HydrophobicContact CG-CD 3.89Å; E458-K462 HydrophobicContact CG-CG 4.39Å; E458-K462 VanDerWaalsContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CB 3.36Å; E458-K462 WeakPolarHBondContact O-CG 3.33Å; E458-K462 PolarHBondContact O-N 3.15Å; E458-K462 VanDerWaalsContact OE1-CE 3.24Å; E458-K462 WeakPolarHBondContact OE1-CE 3.32Å; E458-K462 IonicContact OE1-NZ 2.72Å; E458-K462 PolarHBondContact OE1-NZ 2.97Å; E459-K462 PolarHBondContact O-N 3.43Å; K462-S464 VanDerWaalsContact C-N 3.3Å; K462-S464 PolarHBondContact O-N 3.05Å
463S61.1Low64.5Low71 Ų7175.4 Ų75.450%0.49739%0.391SS..SBendtrans-81.1-7.2-178.476.90000113.6E459 E465E459-S463 WeakPolarHBondContact O-CA 3.5Å; E459-S463 WeakPolarHBondContact O-CB 3.33Å; E459-S463 PolarHBondContact O-N 3.02Å; E459-S463 PolarHBondContact O-OG 3.34Å; S463-E465 PolarHBondContact O-N 2.75Å
464S54.2Low64.5Low23 Ų2376.4 Ų76.416%0.16140%0.395CS..  trans-74.564.7176.965.40000110.8I461 K462 S466 R494I461-S464 PolarHBondContact O-OG 3.41Å; I461-S464 VanDerWaalsContact O-OG 3.05Å; K462-S464 VanDerWaalsContact C-N 3.3Å; K462-S464 PolarHBondContact O-N 3.05Å; S464-S466 VanDerWaalsContact C-N 3.27Å; S464-R494 PolarHBondContact OG-NH1 3.48Å; S464-R494 PolarHBondContact OG-NH2 3.03Å
465E48.3Very low64.8Low194 Ų19473.8 Ų73.891%0.90738%0.377SS*.  trans-76.9-16.8164.4-74.2-175.8158.700111.6S463S463-E465 PolarHBondContact O-N 2.75Å
466S43.4Very low65Low87 Ų8769.9 Ų69.961%0.60835%0.35SS*.SBendtrans-95.2139176.633.20000111.1S464 V468S464-S466 VanDerWaalsContact C-N 3.27Å; S466-V468 VanDerWaalsContact C-N 3.32Å; S466-V468 WeakPolarHBondContact O-CG2 3.22Å; S466-V468 PolarHBondContact O-N 3.06Å
467E49.8Very low65.3Low188 Ų18868.9 Ų68.988%0.87935%0.345SS*.  trans-52.279.7-179.1-64.9169.8143.700113.4H469E467-H469 PolarHBondContact O-N 3.27Å
468V51.7Low65.6Low41 Ų4169.7 Ų69.725%0.24835%0.351CS..  trans-84.3106.2170.4-168.80000107.7T441 S466 F470T441-V468 HydrophobicContact CG2-CG1 4.04Å; S466-V468 VanDerWaalsContact C-N 3.32Å; S466-V468 WeakPolarHBondContact O-CG2 3.22Å; S466-V468 PolarHBondContact O-N 3.06Å; V468-F470 HydrophobicContact CB-CD1 3.79Å; V468-F470 HydrophobicContact CB-CE1 4.19Å; V468-F470 HydrophobicContact CG1-CB 4.49Å; V468-F470 HydrophobicContact CG1-CD1 3.69Å; V468-F470 HydrophobicContact CG1-CE1 4.49Å; V468-F470 VanDerWaalsContact O-CD1 3.22Å; V468-F470 WeakPolarHBondContact O-CD1 3.4Å; V468-F470 PolarHBondContact O-N 3.14Å
469H54.1Low65.9Low163 Ų16366.3 Ų66.376%0.75534%0.335SS*.  trans-68.578.5168.5-74.7-57.4000110.3A438 E467A438-H469 WeakPolarHBondContact CA-O 3.4Å; A438-H469 VanDerWaalsContact CB-O 3.3Å; A438-H469 WeakPolarHBondContact CB-O 3.5Å; A438-H469 PolarHBondContact N-O 2.95Å; E467-H469 PolarHBondContact O-N 3.27Å
470F63.6Low66.3Low20 Ų2062.3 Ų62.39%0.08831%0.314CS..  trans-109.5154.8165.966-88.1000110.8T441 L445 V468 V472 A475 L491T441-F470 VanDerWaalsContact CB-CB 3.5Å; T441-F470 HydrophobicContact CG2-CB 3.42Å; T441-F470 VanDerWaalsContact CG2-CB 3.42Å; T441-F470 HydrophobicContact CG2-CD1 4.02Å; T441-F470 HydrophobicContact CG2-CG 3.81Å; L445-F470 HydrophobicContact CD1-CD2 4.47Å; V468-F470 HydrophobicContact CB-CD1 3.79Å; V468-F470 HydrophobicContact CB-CE1 4.19Å; V468-F470 HydrophobicContact CG1-CB 4.49Å; V468-F470 HydrophobicContact CG1-CD1 3.69Å; V468-F470 HydrophobicContact CG1-CE1 4.49Å; V468-F470 VanDerWaalsContact O-CD1 3.22Å; V468-F470 WeakPolarHBondContact O-CD1 3.4Å; V468-F470 PolarHBondContact O-N 3.14Å; F470-V472 VanDerWaalsContact C-N 3.32Å; F470-V472 HydrophobicContact CD2-CG2 4.3Å; F470-V472 HydrophobicContact CE2-CB 4.4Å; F470-V472 HydrophobicContact CE2-CG2 4.01Å; F470-V472 HydrophobicContact CZ-CG2 4.38Å; F470-V472 PolarHBondContact O-N 3.4Å; F470-A475 HydrophobicContact CD2-CB 3.91Å; F470-A475 HydrophobicContact CE2-CB 3.79Å; F470-L491 HydrophobicContact CE2-CD1 4.12Å; F470-L491 HydrophobicContact CE2-CD2 4.24Å; F470-L491 HydrophobicContact CZ-CD1 4.01Å
471D64.8Low66.7Low62 Ų6268.9 Ų68.933%0.33235%0.345SS..  trans-71.195.2174.2-169.3-35.1000108.5E473 I474 A475D471-E473 PolarHBondContact O-N 3.44Å; D471-E473 WeakPolarHBondContact OD1-CA 3.39Å; D471-E473 WeakPolarHBondContact OD1-CB 3.27Å; D471-E473 PolarHBondContact OD1-N 3.5Å; D471-I474 HydrophobicContact CB-CB 4.13Å; D471-I474 HydrophobicContact CB-CD1 3.87Å; D471-I474 HydrophobicContact CB-CG1 4.05Å; D471-I474 VanDerWaalsContact CG-CG1 3.48Å; D471-I474 PolarHBondContact O-N 2.91Å; D471-I474 PolarHBondContact OD1-N 3.34Å; D471-I474 WeakPolarHBondContact OD2-CD1 3.43Å; D471-I474 WeakPolarHBondContact OD2-CG1 3.5Å; D471-A475 PolarHBondContact O-N 2.92Å
472V72.3Confident66.9Low17 Ų1770.8 Ų70.810%0.10336%0.362CS..Hα-helixtrans-58.5-34.2-179-175.60000110.3F470 A475 I476 L491 H495 H497F470-V472 VanDerWaalsContact C-N 3.32Å; F470-V472 HydrophobicContact CD2-CG2 4.3Å; F470-V472 HydrophobicContact CE2-CB 4.4Å; F470-V472 HydrophobicContact CE2-CG2 4.01Å; F470-V472 HydrophobicContact CZ-CG2 4.38Å; F470-V472 PolarHBondContact O-N 3.4Å; V472-A475 PolarHBondContact O-N 3.49Å; V472-I476 HydrophobicContact CG1-CD1 4.02Å; V472-I476 WeakPolarHBondContact O-CD1 3.41Å; V472-I476 WeakPolarHBondContact O-CG1 3.24Å; V472-I476 PolarHBondContact O-N 2.89Å; V472-L491 HydrophobicContact CG1-CD2 3.47Å; V472-L491 VanDerWaalsContact CG1-CD2 3.47Å; V472-L491 HydrophobicContact CG1-CG 4.36Å; V472-H495 HydrophobicContact CG1-CB 3.69Å; V472-H495 HydrophobicContact CG2-CB 4.36Å; V472-H497 VanDerWaalsContact CG1-CD2 3.43Å; V472-H497 WeakPolarHBondContact CG1-CD2 3.49Å
473E72.4Confident67.3Low74 Ų7467.2 Ų67.235%0.34636%0.358SS..Hα-helixtrans-67.7-44.8178.7-174.6179.1166.300111.6D471 A475 I476 K477 W500D471-E473 PolarHBondContact O-N 3.44Å; D471-E473 WeakPolarHBondContact OD1-CA 3.39Å; D471-E473 WeakPolarHBondContact OD1-CB 3.27Å; D471-E473 PolarHBondContact OD1-N 3.5Å; E473-A475 VanDerWaalsContact C-N 3.35Å; E473-I476 PolarHBondContact O-N 3.42Å; E473-K477 WeakPolarHBondContact O-CG 3.48Å; E473-K477 PolarHBondContact O-N 3.42Å; E473-K477 VanDerWaalsContact OE1-CE 3.26Å; E473-K477 WeakPolarHBondContact OE1-CE 3.44Å; E473-K477 IonicContact OE1-NZ 2.73Å; E473-K477 PolarHBondContact OE1-NZ 3.41Å; E473-W500 HydrophobicContact CG-CZ2 4.2Å
474I74.1Confident68.2Low65 Ų6566.6 Ų66.633%0.33335%0.346SS..Hα-helixtrans-65.2-41.6175.8-61.9173.6000110.4T442 D471 I476 K477 V478T442-I474 HydrophobicContact CG2-CG2 3.57Å; D471-I474 HydrophobicContact CB-CB 4.13Å; D471-I474 HydrophobicContact CB-CD1 3.87Å; D471-I474 HydrophobicContact CB-CG1 4.05Å; D471-I474 VanDerWaalsContact CG-CG1 3.48Å; D471-I474 PolarHBondContact O-N 2.91Å; D471-I474 PolarHBondContact OD1-N 3.34Å; D471-I474 WeakPolarHBondContact OD2-CD1 3.43Å; D471-I474 WeakPolarHBondContact OD2-CG1 3.5Å; I474-I476 VanDerWaalsContact C-N 3.34Å; I474-I476 PolarHBondContact O-N 2.96Å; I474-K477 PolarHBondContact O-N 2.9Å; I474-V478 HydrophobicContact CG2-CG2 4.15Å; I474-V478 WeakPolarHBondContact O-CG2 3.41Å; I474-V478 PolarHBondContact O-N 3.5Å
475A74.1Confident69.5Low1 Ų168.4 Ų68.41%0.00835%0.352CS..Hα-helixtrans-58.5-44.8176.500000111.9L445 F470 D471 V472 E473 K477 V478 L479 L491L445-A475 HydrophobicContact CD1-CB 3.76Å; F470-A475 HydrophobicContact CD2-CB 3.91Å; F470-A475 HydrophobicContact CE2-CB 3.79Å; D471-A475 PolarHBondContact O-N 2.92Å; V472-A475 PolarHBondContact O-N 3.49Å; E473-A475 VanDerWaalsContact C-N 3.35Å; A475-K477 PolarHBondContact O-N 3.37Å; A475-V478 PolarHBondContact O-N 3.41Å; A475-L479 WeakPolarHBondContact O-CB 3.28Å; A475-L479 VanDerWaalsContact O-CG 3.24Å; A475-L479 WeakPolarHBondContact O-CG 3.22Å; A475-L479 PolarHBondContact O-N 2.9Å; A475-L491 HydrophobicContact CB-CD2 4.1Å
476I77.8Confident71Confident0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-61.2-44.9175.4-68.3164.1000110.8V472 E473 I474 L479 R480 A488 L491 A492 H497 W500 I504V472-I476 HydrophobicContact CG1-CD1 4.02Å; V472-I476 WeakPolarHBondContact O-CD1 3.41Å; V472-I476 WeakPolarHBondContact O-CG1 3.24Å; V472-I476 PolarHBondContact O-N 2.89Å; E473-I476 PolarHBondContact O-N 3.42Å; I474-I476 VanDerWaalsContact C-N 3.34Å; I474-I476 PolarHBondContact O-N 2.96Å; I476-L479 PolarHBondContact O-N 3.38Å; I476-R480 WeakPolarHBondContact O-CB 2.97Å; I476-R480 PolarHBondContact O-N 3.2Å; I476-A488 HydrophobicContact CG2-CB 4.43Å; I476-L491 HydrophobicContact CD1-CD2 4.12Å; I476-L491 HydrophobicContact CG1-CD2 3.49Å; I476-L491 VanDerWaalsContact CG1-CD2 3.49Å; I476-A492 HydrophobicContact CD1-CB 3.84Å; I476-A492 HydrophobicContact CG1-CB 4.48Å; I476-H497 HydrophobicContact CD1-CB 4.14Å; I476-W500 HydrophobicContact CD1-CB 4.18Å; I476-W500 HydrophobicContact CD1-CG 4.46Å; I476-W500 HydrophobicContact CG2-CB 4.09Å; I476-W500 HydrophobicContact CG2-CD2 4.19Å; I476-W500 HydrophobicContact CG2-CE3 4.04Å; I476-W500 HydrophobicContact CG2-CG 4.22Å; I476-I504 HydrophobicContact CG2-CD1 3.76Å
477K79.1Confident72.7Confident75 Ų7560.8 Ų60.833%0.32632%0.315SS..Hα-helixtrans-60.8-46.9178.5-74.4171.2-174.5164.10111.9E473 I474 A475 R480 Q481 W500E473-K477 WeakPolarHBondContact O-CG 3.48Å; E473-K477 PolarHBondContact O-N 3.42Å; E473-K477 VanDerWaalsContact OE1-CE 3.26Å; E473-K477 WeakPolarHBondContact OE1-CE 3.44Å; E473-K477 IonicContact OE1-NZ 2.73Å; E473-K477 PolarHBondContact OE1-NZ 3.41Å; I474-K477 PolarHBondContact O-N 2.9Å; A475-K477 PolarHBondContact O-N 3.37Å; K477-R480 PolarHBondContact O-N 3.02Å; K477-Q481 WeakPolarHBondContact O-CB 3.18Å; K477-Q481 WeakPolarHBondContact O-CG 3.49Å; K477-Q481 PolarHBondContact O-N 3.4Å; K477-W500 HydrophobicContact CD-CH2 4.22Å; K477-W500 HydrophobicContact CD-CZ2 4.3Å; K477-W500 VanDerWaalsContact CE-CH2 3.46Å; K477-W500 HydrophobicContact CG-CH2 3.71Å; K477-W500 HydrophobicContact CG-CZ2 4.09Å; K477-W500 HydrophobicContact CG-CZ3 4.18Å
478V79.8Confident74.2Confident21 Ų2151.8 Ų51.813%0.12727%0.274CS..Hα-helixtrans-62.6-46179169.70000110.6N446 T449 I474 A475 R480 Q481 A482N446-V478 VanDerWaalsContact OD1-CG1 3.22Å; N446-V478 WeakPolarHBondContact OD1-CG1 3.33Å; N446-V478 WeakPolarHBondContact OD1-CG2 3.26Å; T449-V478 HydrophobicContact CG2-CG1 4.25Å; I474-V478 HydrophobicContact CG2-CG2 4.15Å; I474-V478 WeakPolarHBondContact O-CG2 3.41Å; I474-V478 PolarHBondContact O-N 3.5Å; A475-V478 PolarHBondContact O-N 3.41Å; V478-R480 PolarHBondContact O-N 3.12Å; V478-Q481 PolarHBondContact O-N 3.42Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.31Å; V478-A482 PolarHBondContact O-N 3.49Å
479L78.6Confident75.7Confident2 Ų250.6 Ų50.61%0.0127%0.266CS..Hα-helixtrans-63.9-40.3178-70.2170.7000112.1T449 L457 I461 A475 I476 A482 G483 Y484 H487 A488T449-L479 HydrophobicContact CG2-CD2 4.4Å; L457-L479 HydrophobicContact CD2-CD2 4.03Å; I461-L479 HydrophobicContact CD1-CD1 4.25Å; A475-L479 WeakPolarHBondContact O-CB 3.28Å; A475-L479 VanDerWaalsContact O-CG 3.24Å; A475-L479 WeakPolarHBondContact O-CG 3.22Å; A475-L479 PolarHBondContact O-N 2.9Å; I476-L479 PolarHBondContact O-N 3.38Å; L479-A482 PolarHBondContact O-N 2.97Å; L479-G483 PolarHBondContact O-N 3.08Å; L479-Y484 PolarHBondContact O-N 3.26Å; L479-H487 HydrophobicContact CD1-CB 4.43Å; L479-A488 HydrophobicContact CB-CB 3.91Å
480R81.6Confident77Confident48 Ų4846.8 Ų46.818%0.18125%0.248CC..Hα-helixtrans-63.3-44.9174.9-174.7-179.1-179179.10111.6I476 K477 V478 A482 G483 E507 D508I476-R480 WeakPolarHBondContact O-CB 2.97Å; I476-R480 PolarHBondContact O-N 3.2Å; K477-R480 PolarHBondContact O-N 3.02Å; V478-R480 PolarHBondContact O-N 3.12Å; R480-A482 VanDerWaalsContact C-N 3.33Å; R480-A482 PolarHBondContact O-N 3Å; R480-G483 PolarHBondContact O-N 3.36Å; R480-E507 IonicContact NH2-OE2 2.89Å; R480-E507 PolarHBondContact NH2-OE2 2.92Å; R480-E507 VanDerWaalsContact NH2-OE2 3.16Å; R480-D508 IonicContact CZ-OD1 3.9Å; R480-D508 IonicContact CZ-OD2 3.42Å; R480-D508 IonicContact NE-OD1 3.51Å; R480-D508 IonicContact NE-OD2 2.78Å; R480-D508 PolarHBondContact NE-OD2 3.15Å; R480-D508 VanDerWaalsContact NH2-CG 3.29Å; R480-D508 IonicContact NH2-OD1 2.7Å; R480-D508 PolarHBondContact NH2-OD1 2.92Å; R480-D508 IonicContact NH2-OD2 3.54Å; R480-D508 PolarHBondContact NH2-OD2 3.17Å; R480-D508 VanDerWaalsContact NH2-OD2 3.14Å
481Q80.3Confident77.7Confident170 Ų17045.9 Ų45.979%0.79424%0.244SC*.Hα-helixtrans-65.9-35.2177.2-74.4177.6-1.700112.6K477 V478 G483K477-Q481 WeakPolarHBondContact O-CB 3.18Å; K477-Q481 WeakPolarHBondContact O-CG 3.49Å; K477-Q481 PolarHBondContact O-N 3.4Å; V478-Q481 PolarHBondContact O-N 3.42Å; Q481-G483 PolarHBondContact O-N 2.96Å
482A75.2Confident78.6Confident46 Ų4643 Ų4338%0.3823%0.228SC..THydrogen-bonded Turntrans-78.3-3.4177.200000113.7T449 V478 L479 R480 Y484T449-A482 HydrophobicContact CG2-CB 4.22Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.31Å; V478-A482 PolarHBondContact O-N 3.49Å; L479-A482 PolarHBondContact O-N 2.97Å; R480-A482 VanDerWaalsContact C-N 3.33Å; R480-A482 PolarHBondContact O-N 3Å; A482-Y484 HydrophobicContact CB-CD2 3.78Å; A482-Y484 HydrophobicContact CB-CE2 4.15Å
483G76.3Confident79Confident43 Ų4346.4 Ų46.444%0.44324%0.243SC..THydrogen-bonded Turntrans83.37.2178.200000115.2L479 R480 Q481 H485L479-G483 PolarHBondContact O-N 3.08Å; R480-G483 PolarHBondContact O-N 3.36Å; Q481-G483 PolarHBondContact O-N 2.96Å; G483-H485 VanDerWaalsContact C-N 3.26Å; G483-H485 PolarHBondContact O-CD2 3.23Å; G483-H485 PolarHBondContact O-N 3.07Å; G483-H485 VanDerWaalsContact O-N 3.09Å
484Y80.8Confident79.3Confident58 Ų5846.9 Ų46.923%0.22724%0.242CC..  trans-86.658.3177.8-66-78.2000111.6L479 A482 S486 H487 A488L479-Y484 PolarHBondContact O-N 3.26Å; A482-Y484 HydrophobicContact CB-CD2 3.78Å; A482-Y484 HydrophobicContact CB-CE2 4.15Å; Y484-S486 VanDerWaalsContact C-N 3.32Å; Y484-S486 PolarHBondContact O-N 3.03Å; Y484-H487 PolarHBondContact O-N 3.43Å; Y484-A488 PolarHBondContact O-N 2.88Å; Y484-A488 VanDerWaalsContact O-N 3.09Å
485H81.1Confident79.3Confident62 Ų6247 Ų4729%0.28724%0.24SC..Hα-helixtrans-59-38.1-174.3-57.5-69.1000113.4G483 H487 A488 V489 I504 D508 L509G483-H485 VanDerWaalsContact C-N 3.26Å; G483-H485 PolarHBondContact O-CD2 3.23Å; G483-H485 PolarHBondContact O-N 3.07Å; G483-H485 VanDerWaalsContact O-N 3.09Å; H485-H487 PolarHBondContact O-N 3.31Å; H485-A488 PolarHBondContact O-N 3.28Å; H485-V489 VanDerWaalsContact O-CG2 3.29Å; H485-V489 WeakPolarHBondContact O-CG2 3.38Å; H485-V489 PolarHBondContact O-N 3.07Å; H485-I504 HydrophobicContact CB-CG2 4.49Å; H485-D508 IonicContact ND1-OD2 2.86Å; H485-L509 HydrophobicContact CB-CD2 4.25Å
486S79.8Confident79.3Confident84 Ų8453.6 Ų53.659%0.58727%0.271SS*.Hα-helixtrans-62.8-39.5178.454.50000113.2Y484 F490Y484-S486 VanDerWaalsContact C-N 3.32Å; Y484-S486 PolarHBondContact O-N 3.03Å; S486-F490 PolarHBondContact O-N 3.32Å; S486-F490 VanDerWaalsContact O-N 3.11Å
487H79.8Confident79.4Confident36 Ų3656.7 Ų56.717%0.16729%0.286CS..Hα-helixtrans-74.5-36.5179-64.673000110.9I461 L479 Y484 H485 F490 L491I461-H487 HydrophobicContact CD1-CB 4.24Å; L479-H487 HydrophobicContact CD1-CB 4.43Å; Y484-H487 PolarHBondContact O-N 3.43Å; H485-H487 PolarHBondContact O-N 3.31Å; H487-F490 PolarHBondContact O-N 2.94Å; H487-L491 WeakPolarHBondContact O-CB 3.33Å; H487-L491 PolarHBondContact O-N 2.89Å
488A81.4Confident79.6Confident0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-63.8-40.617400000112.1I476 L479 Y484 H485 L491 A492 I504I476-A488 HydrophobicContact CG2-CB 4.43Å; L479-A488 HydrophobicContact CB-CB 3.91Å; Y484-A488 PolarHBondContact O-N 2.88Å; Y484-A488 VanDerWaalsContact O-N 3.09Å; H485-A488 PolarHBondContact O-N 3.28Å; A488-L491 PolarHBondContact O-N 3.4Å; A488-A492 VanDerWaalsContact O-CB 3.28Å; A488-A492 WeakPolarHBondContact O-CB 3.42Å; A488-A492 PolarHBondContact O-N 2.93Å; A488-I504 HydrophobicContact CB-CD1 3.9Å
489V83.6Confident79.7Confident16 Ų1658 Ų5810%0.09729%0.291CS..Hα-helixtrans-63.7-46.8174.6170.80000111.1H485 L491 A492 E493 Y501 I504 L509H485-V489 VanDerWaalsContact O-CG2 3.29Å; H485-V489 WeakPolarHBondContact O-CG2 3.38Å; H485-V489 PolarHBondContact O-N 3.07Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.48Å; V489-A492 PolarHBondContact O-N 2.87Å; V489-E493 WeakPolarHBondContact O-CB 3.2Å; V489-E493 PolarHBondContact O-N 2.66Å; V489-Y501 HydrophobicContact CG1-CD2 3.83Å; V489-Y501 HydrophobicContact CG1-CE2 3.44Å; V489-Y501 VanDerWaalsContact CG1-CE2 3.44Å; V489-I504 HydrophobicContact CG2-CB 4.15Å; V489-I504 HydrophobicContact CG2-CG2 3.51Å; V489-L509 HydrophobicContact CG2-CD1 3.82Å
490F81.6Confident79.8Confident82 Ų8259.7 Ų59.736%0.3630%0.298SS..Hα-helixtrans-58.2-44.6177.3177.4-97.7000112.1I461 S486 H487 E493 R494I461-F490 HydrophobicContact CG2-CD1 3.72Å; I461-F490 HydrophobicContact CG2-CE1 3.86Å; S486-F490 PolarHBondContact O-N 3.32Å; S486-F490 VanDerWaalsContact O-N 3.11Å; H487-F490 PolarHBondContact O-N 2.94Å; F490-E493 PolarHBondContact O-N 2.7Å; F490-R494 WeakPolarHBondContact O-CB 3.48Å; F490-R494 PolarHBondContact O-N 3.35Å
491L78.2Confident80Confident2 Ų258 Ų581%0.0129%0.291CS..Hα-helixtrans-68.7-39.9179.7-162.7124.3000111.7I461 F470 V472 A475 I476 H487 A488 V489 H495I461-L491 HydrophobicContact CG1-CD1 4.44Å; I461-L491 HydrophobicContact CG2-CD1 4.26Å; F470-L491 HydrophobicContact CE2-CD1 4.12Å; F470-L491 HydrophobicContact CE2-CD2 4.24Å; F470-L491 HydrophobicContact CZ-CD1 4.01Å; V472-L491 HydrophobicContact CG1-CD2 3.47Å; V472-L491 VanDerWaalsContact CG1-CD2 3.47Å; V472-L491 HydrophobicContact CG1-CG 4.36Å; A475-L491 HydrophobicContact CB-CD2 4.1Å; I476-L491 HydrophobicContact CD1-CD2 4.12Å; I476-L491 HydrophobicContact CG1-CD2 3.49Å; I476-L491 VanDerWaalsContact CG1-CD2 3.49Å; H487-L491 WeakPolarHBondContact O-CB 3.33Å; H487-L491 PolarHBondContact O-N 2.89Å; A488-L491 PolarHBondContact O-N 3.4Å; V489-L491 VanDerWaalsContact C-N 3.32Å; V489-L491 PolarHBondContact O-N 3.48Å; L491-H495 PolarHBondContact O-CD2 2.99Å; L491-H495 PolarHBondContact O-N 3.33Å; L491-H495 VanDerWaalsContact O-N 3.16Å
492A82.3Confident80.1Confident0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-65.4-40.4175.700000112.6I476 A488 V489 Q496 H497 W500I476-A492 HydrophobicContact CD1-CB 3.84Å; I476-A492 HydrophobicContact CG1-CB 4.48Å; A488-A492 VanDerWaalsContact O-CB 3.28Å; A488-A492 WeakPolarHBondContact O-CB 3.42Å; A488-A492 PolarHBondContact O-N 2.93Å; V489-A492 PolarHBondContact O-N 2.87Å; A492-Q496 PolarHBondContact O-N 3.36Å; A492-H497 PolarHBondContact O-N 3.16Å; A492-W500 HydrophobicContact CB-CB 4.48Å
493E81.3Confident80.5Confident89 Ų8950.9 Ų50.942%0.41625%0.249SC..Hα-helixtrans-65.6-47.7177-179.2167.6-155.300111.5V489 F490 H495 Q496 Y501 Y518V489-E493 WeakPolarHBondContact O-CB 3.2Å; V489-E493 PolarHBondContact O-N 2.66Å; F490-E493 PolarHBondContact O-N 2.7Å; E493-H495 PolarHBondContact O-N 3.32Å; E493-Q496 PolarHBondContact O-N 2.83Å; E493-Y501 HydrophobicContact CB-CD2 3.88Å; E493-Y501 HydrophobicContact CB-CE2 3.89Å; E493-Y501 HydrophobicContact CG-CE2 4.39Å; E493-Y518 HydrophobicContact CG-CE2 4.11Å
494R78.2Confident80.8Confident84 Ų8448.8 Ų48.832%0.31723%0.228SC..Hα-helixtrans-64.7-41.2-176.8-171.7176.570.8-178-2.1113.1I461 S464 F490 Q496I461-R494 PolarHBondContact O-NH1 3.49Å; I461-R494 PolarHBondContact O-NH2 3.16Å; S464-R494 PolarHBondContact OG-NH1 3.48Å; S464-R494 PolarHBondContact OG-NH2 3.03Å; F490-R494 WeakPolarHBondContact O-CB 3.48Å; F490-R494 PolarHBondContact O-N 3.35Å; R494-Q496 VanDerWaalsContact C-N 3.31Å
495H73.9Confident80.9Confident67 Ų6746.6 Ų46.631%0.3122%0.22SC..THydrogen-bonded Turntrans-91.812.3-178.3-69.6-86.4000113.3V472 L491 E493 H497V472-H495 HydrophobicContact CG1-CB 3.69Å; V472-H495 HydrophobicContact CG2-CB 4.36Å; L491-H495 PolarHBondContact O-CD2 2.99Å; L491-H495 PolarHBondContact O-N 3.33Å; L491-H495 VanDerWaalsContact O-N 3.16Å; E493-H495 PolarHBondContact O-N 3.32Å; H495-H497 PolarHBondContact O-N 3.14Å
496Q75.3Confident80.9Confident140 Ų14044.2 Ų44.265%0.65421%0.209SC*.THydrogen-bonded Turntrans58.929.1176.7-58.1-179.23.700113.9A492 E493 R494 H498A492-Q496 PolarHBondContact O-N 3.36Å; E493-Q496 PolarHBondContact O-N 2.83Å; R494-Q496 VanDerWaalsContact C-N 3.31Å; Q496-H498 VanDerWaalsContact C-N 3.27Å; Q496-H498 PolarHBondContact O-CD2 3.2Å; Q496-H498 PolarHBondContact O-N 2.96Å; Q496-H498 PolarHBondContact O-NE2 2.76Å; Q496-H498 VanDerWaalsContact O-NE2 3.13Å
497H80Confident81Confident65 Ų6544.8 Ų44.830%0.30120%0.203SC..  trans-84.173.9171.7-76.2-78.3000110.5V472 I476 A492 H495 E499 W500 Y501V472-H497 VanDerWaalsContact CG1-CD2 3.43Å; V472-H497 WeakPolarHBondContact CG1-CD2 3.49Å; I476-H497 HydrophobicContact CD1-CB 4.14Å; A492-H497 PolarHBondContact O-N 3.16Å; H495-H497 PolarHBondContact O-N 3.14Å; H497-E499 VanDerWaalsContact C-N 3.32Å; H497-E499 PolarHBondContact O-N 2.7Å; H497-W500 HydrophobicContact CB-CB 4.48Å; H497-W500 PolarHBondContact O-N 3.31Å; H497-Y501 PolarHBondContact O-N 3.04Å
498H82.3Confident81.1Confident20 Ų2046 Ų469%0.09321%0.21CC..Hα-helixtrans-61.6-35.9-172.5-49.2-57.3000113.5Q496 W500 Y501 L502 Y518 L522 Q526Q496-H498 VanDerWaalsContact C-N 3.27Å; Q496-H498 PolarHBondContact O-CD2 3.2Å; Q496-H498 PolarHBondContact O-N 2.96Å; Q496-H498 PolarHBondContact O-NE2 2.76Å; Q496-H498 VanDerWaalsContact O-NE2 3.13Å; H498-W500 PolarHBondContact O-N 2.93Å; H498-Y501 PolarHBondContact O-N 3.18Å; H498-L502 WeakPolarHBondContact O-CB 3.22Å; H498-L502 VanDerWaalsContact O-CG 3.29Å; H498-L502 WeakPolarHBondContact O-CG 3.38Å; H498-L502 PolarHBondContact O-N 2.98Å; H498-Y518 HydrophobicContact CB-CE1 4.28Å; H498-Y518 AromaticContact ND1-CE1 3.67Å; H498-Y518 AromaticContact ND1-CZ 3.65Å; H498-Y518 PolarHBondContact ND1-OH 3.36Å; H498-L522 HydrophobicContact CB-CD1 3.95Å; H498-L522 WeakPolarHBondContact CE1-CD2 3.26Å; H498-L522 WeakPolarHBondContact ND1-CD2 3.21Å; H498-Q526 PolarHBondContact CD2-NE2 3.23Å; H498-Q526 PolarHBondContact CD2-OE1 3.1Å; H498-Q526 PolarHBondContact NE2-NE2 3.37Å; H498-Q526 PolarHBondContact NE2-OE1 3.36Å
499E81.4Confident81Confident103 Ų10349.2 Ų49.248%0.48123%0.227SC..Hα-helixtrans-61.9-45.2178.2-63.3-158.9139.800112.2H497 K503 R533H497-E499 VanDerWaalsContact C-N 3.32Å; H497-E499 PolarHBondContact O-N 2.7Å; E499-K503 WeakPolarHBondContact O-CB 3.48Å; E499-K503 PolarHBondContact O-N 3.42Å; E499-R533 IonicContact OE1-NH1 3.34Å; E499-R533 PolarHBondContact OE1-NH1 2.84Å
500W82.1Confident80.9Confident38 Ų3854.9 Ų54.914%0.14425%0.251CS..Hα-helixtrans-71.9-39.3179.8-77.5102.1000111.8E473 I476 K477 A492 H497 H498 K503 I504E473-W500 HydrophobicContact CG-CZ2 4.2Å; I476-W500 HydrophobicContact CD1-CB 4.18Å; I476-W500 HydrophobicContact CD1-CG 4.46Å; I476-W500 HydrophobicContact CG2-CB 4.09Å; I476-W500 HydrophobicContact CG2-CD2 4.19Å; I476-W500 HydrophobicContact CG2-CE3 4.04Å; I476-W500 HydrophobicContact CG2-CG 4.22Å; K477-W500 HydrophobicContact CD-CH2 4.22Å; K477-W500 HydrophobicContact CD-CZ2 4.3Å; K477-W500 VanDerWaalsContact CE-CH2 3.46Å; K477-W500 HydrophobicContact CG-CH2 3.71Å; K477-W500 HydrophobicContact CG-CZ2 4.09Å; K477-W500 HydrophobicContact CG-CZ3 4.18Å; A492-W500 HydrophobicContact CB-CB 4.48Å; H497-W500 HydrophobicContact CB-CB 4.48Å; H497-W500 PolarHBondContact O-N 3.31Å; H498-W500 PolarHBondContact O-N 2.93Å; W500-K503 HydrophobicContact CZ3-CD 4.4Å; W500-K503 PolarHBondContact O-N 3.03Å; W500-I504 WeakPolarHBondContact O-CB 3.32Å; W500-I504 WeakPolarHBondContact O-CD1 3.18Å; W500-I504 WeakPolarHBondContact O-CG1 3.22Å; W500-I504 PolarHBondContact O-N 3.04Å
501Y84.9Confident81.1Confident13 Ų1354.8 Ų54.85%0.05125%0.254CS..Hα-helixtrans-55.9-53.6173-178.8-84.6000110.7V489 E493 H497 H498 K503 I504 Q505 Y518V489-Y501 HydrophobicContact CG1-CD2 3.83Å; V489-Y501 HydrophobicContact CG1-CE2 3.44Å; V489-Y501 VanDerWaalsContact CG1-CE2 3.44Å; E493-Y501 HydrophobicContact CB-CD2 3.88Å; E493-Y501 HydrophobicContact CB-CE2 3.89Å; E493-Y501 HydrophobicContact CG-CE2 4.39Å; H497-Y501 PolarHBondContact O-N 3.04Å; H498-Y501 PolarHBondContact O-N 3.18Å; Y501-K503 VanDerWaalsContact C-N 3.33Å; Y501-K503 PolarHBondContact O-N 3.22Å; Y501-I504 PolarHBondContact O-N 3.29Å; Y501-Q505 HydrophobicContact CE1-CB 4.37Å; Y501-Q505 HydrophobicContact CE1-CG 4.42Å; Y501-Q505 VanDerWaalsContact O-CB 3.26Å; Y501-Q505 WeakPolarHBondContact O-CB 3.17Å; Y501-Q505 PolarHBondContact O-N 2.84Å; Y501-Y518 AromaticContact CD1-CD1 3.42Å; Y501-Y518 HydrophobicContact CD1-CD1 3.42Å; Y501-Y518 VanDerWaalsContact CD1-CD1 3.42Å; Y501-Y518 HydrophobicContact CD1-CD2 4.08Å; Y501-Y518 AromaticContact CD1-CE1 3.53Å; Y501-Y518 HydrophobicContact CD1-CE1 3.53Å; Y501-Y518 HydrophobicContact CD1-CE2 4.2Å; Y501-Y518 AromaticContact CD1-CG 3.69Å; Y501-Y518 HydrophobicContact CD1-CG 3.69Å; Y501-Y518 AromaticContact CD1-CZ 3.94Å; Y501-Y518 HydrophobicContact CD2-CE2 4.37Å; Y501-Y518 AromaticContact CE1-CD1 3.56Å; Y501-Y518 HydrophobicContact CE1-CD1 3.56Å; Y501-Y518 AromaticContact CE1-CD2 3.57Å; Y501-Y518 HydrophobicContact CE1-CD2 3.57Å; Y501-Y518 HydrophobicContact CE1-CE1 4.03Å; Y501-Y518 HydrophobicContact CE1-CE2 4.06Å; Y501-Y518 AromaticContact CE1-CG 3.29Å; Y501-Y518 HydrophobicContact CE1-CG 3.29Å; Y501-Y518 HydrophobicContact CE2-CD2 4.28Å; Y501-Y518 HydrophobicContact CE2-CE2 4.18Å; Y501-Y518 HydrophobicContact CG-CD1 4.26Å; Y501-Y518 AromaticContact CG-CE1 3.92Å; Y501-Y518 HydrophobicContact CG-CE1 3.92Å; Y501-Y518 HydrophobicContact CG-CE2 4.37Å; Y501-Y518 AromaticContact CG-CZ 3.98Å; Y501-Y518 AromaticContact CZ-CD2 3.67Å; Y501-Y518 AromaticContact CZ-CG 3.9Å
502L82.6Confident81.3Confident0 Ų057.3 Ų57.30%026%0.263CS..Hα-helixtrans-65.7-37.6-179-68172.9000111.9H498 Q505 L506 Y518 I519 N530 Y534H498-L502 WeakPolarHBondContact O-CB 3.22Å; H498-L502 VanDerWaalsContact O-CG 3.29Å; H498-L502 WeakPolarHBondContact O-CG 3.38Å; H498-L502 PolarHBondContact O-N 2.98Å; L502-Q505 PolarHBondContact O-N 3.39Å; L502-L506 HydrophobicContact CB-CD1 4.24Å; L502-L506 WeakPolarHBondContact O-CB 3.17Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 2.86Å; L502-Y518 HydrophobicContact CD2-CD1 4.06Å; L502-Y518 HydrophobicContact CG-CD1 4.42Å; L502-I519 HydrophobicContact CD1-CD1 4.08Å; L502-I519 HydrophobicContact CD1-CG1 3.71Å; L502-I519 HydrophobicContact CD2-CD1 3.94Å; L502-I519 HydrophobicContact CD2-CG1 3.63Å; L502-I519 HydrophobicContact CG-CG1 4.33Å; L502-N530 HydrophobicContact CD1-CB 3.88Å; L502-N530 VanDerWaalsContact CD1-CG 3.42Å; L502-N530 WeakPolarHBondContact CD1-OD1 3.42Å; L502-Y534 HydrophobicContact CB-CE2 4.05Å; L502-Y534 HydrophobicContact CD1-CD2 4.37Å; L502-Y534 HydrophobicContact CD1-CE2 4.32Å
503K83.2Confident81.3Confident66 Ų6664.5 Ų64.529%0.28730%0.297SS..Hα-helixtrans-61.4-47.3175.7-166.9173.7-173.4179.10111.8E499 W500 Y501 E507E499-K503 WeakPolarHBondContact O-CB 3.48Å; E499-K503 PolarHBondContact O-N 3.42Å; W500-K503 HydrophobicContact CZ3-CD 4.4Å; W500-K503 PolarHBondContact O-N 3.03Å; Y501-K503 VanDerWaalsContact C-N 3.33Å; Y501-K503 PolarHBondContact O-N 3.22Å; K503-E507 WeakPolarHBondContact CE-OE2 3.3Å; K503-E507 VanDerWaalsContact CG-CD 3.43Å; K503-E507 HydrophobicContact CG-CG 4.24Å; K503-E507 WeakPolarHBondContact CG-OE2 3.43Å; K503-E507 WeakPolarHBondContact O-CB 3.2Å; K503-E507 WeakPolarHBondContact O-CG 3.5Å; K503-E507 PolarHBondContact O-N 3.43Å
504I83Confident81.3Confident0 Ų063.7 Ų63.70%029%0.293CS..Iπ-helixtrans-67.5-41.3178.6-62.5162.4000110.3I476 H485 A488 V489 W500 Y501 D508 L509I476-I504 HydrophobicContact CG2-CD1 3.76Å; H485-I504 HydrophobicContact CB-CG2 4.49Å; A488-I504 HydrophobicContact CB-CD1 3.9Å; V489-I504 HydrophobicContact CG2-CB 4.15Å; V489-I504 HydrophobicContact CG2-CG2 3.51Å; W500-I504 WeakPolarHBondContact O-CB 3.32Å; W500-I504 WeakPolarHBondContact O-CD1 3.18Å; W500-I504 WeakPolarHBondContact O-CG1 3.22Å; W500-I504 PolarHBondContact O-N 3.04Å; Y501-I504 PolarHBondContact O-N 3.29Å; I504-D508 HydrophobicContact CG2-CB 4.42Å; I504-D508 WeakPolarHBondContact O-CB 3.37Å; I504-D508 PolarHBondContact O-N 2.9Å; I504-L509 HydrophobicContact CG2-CD1 4.19Å; I504-L509 HydrophobicContact CG2-CG 4.39Å; I504-L509 PolarHBondContact O-N 3.37Å
505Q83.4Confident81.5Confident12 Ų1259.7 Ų59.76%0.05628%0.278CS..Iπ-helixtrans-70-38.7-177.5-161.471.1-0.300113.1Y501 L502 L509 K510 N511Y501-Q505 HydrophobicContact CE1-CB 4.37Å; Y501-Q505 HydrophobicContact CE1-CG 4.42Å; Y501-Q505 VanDerWaalsContact O-CB 3.26Å; Y501-Q505 WeakPolarHBondContact O-CB 3.17Å; Y501-Q505 PolarHBondContact O-N 2.84Å; L502-Q505 PolarHBondContact O-N 3.39Å; Q505-L509 CarbonylContact O-C 3.58Å; Q505-K510 WeakPolarHBondContact O-CA 3.42Å; Q505-K510 PolarHBondContact O-N 3.45Å; Q505-N511 HydrophobicContact CG-CB 4.04Å; Q505-N511 VanDerWaalsContact NE2-CB 3.25Å; Q505-N511 PolarHBondContact O-N 3.06Å
506L81.6Confident81.9Confident12 Ų1257.6 Ų57.66%0.06327%0.269CS..Iπ-helixtrans-91.1-36.8-175-60.3173.3000113.1L502 Y512 Y534 L538L502-L506 HydrophobicContact CB-CD1 4.24Å; L502-L506 WeakPolarHBondContact O-CB 3.17Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 2.86Å; L506-Y512 HydrophobicContact CD2-CD1 3.77Å; L506-Y512 HydrophobicContact CD2-CE1 4.43Å; L506-Y534 HydrophobicContact CD1-CD1 3.7Å; L506-Y534 HydrophobicContact CD1-CD2 4.17Å; L506-Y534 HydrophobicContact CD1-CE1 4.17Å; L506-Y534 HydrophobicContact CD1-CG 3.7Å; L506-L538 HydrophobicContact CD2-CD2 4.15Å
507E81.8Confident82.3Confident96 Ų9656.8 Ų56.845%0.44926%0.26SS..Iπ-helixtrans-90.2-50.3-179.1-58.8177.2171.100112.5R480 K503R480-E507 IonicContact NH2-OE2 2.89Å; R480-E507 PolarHBondContact NH2-OE2 2.92Å; R480-E507 VanDerWaalsContact NH2-OE2 3.16Å; K503-E507 WeakPolarHBondContact CE-OE2 3.3Å; K503-E507 VanDerWaalsContact CG-CD 3.43Å; K503-E507 HydrophobicContact CG-CG 4.24Å; K503-E507 WeakPolarHBondContact CG-OE2 3.43Å; K503-E507 WeakPolarHBondContact O-CB 3.2Å; K503-E507 WeakPolarHBondContact O-CG 3.5Å; K503-E507 PolarHBondContact O-N 3.43Å
508D80.6Confident82.4Confident62 Ų6254.5 Ų54.533%0.33225%0.249SC..Iπ-helixtrans-87.3-49.9-172.3-56.3-35.4000111.8R480 H485 I504R480-D508 IonicContact CZ-OD1 3.9Å; R480-D508 IonicContact CZ-OD2 3.42Å; R480-D508 IonicContact NE-OD1 3.51Å; R480-D508 IonicContact NE-OD2 2.78Å; R480-D508 PolarHBondContact NE-OD2 3.15Å; R480-D508 VanDerWaalsContact NH2-CG 3.29Å; R480-D508 IonicContact NH2-OD1 2.7Å; R480-D508 PolarHBondContact NH2-OD1 2.92Å; R480-D508 IonicContact NH2-OD2 3.54Å; R480-D508 PolarHBondContact NH2-OD2 3.17Å; R480-D508 VanDerWaalsContact NH2-OD2 3.14Å; H485-D508 IonicContact ND1-OD2 2.86Å; I504-D508 HydrophobicContact CG2-CB 4.42Å; I504-D508 WeakPolarHBondContact O-CB 3.37Å; I504-D508 PolarHBondContact O-N 2.9Å
509L79.7Confident82.5Confident67 Ų6753.6 Ų53.635%0.35125%0.245SC..SBendtrans-89.9-15.2-176-63.8174.5000113.8H485 V489 I504 Q505 N511H485-L509 HydrophobicContact CB-CD2 4.25Å; V489-L509 HydrophobicContact CG2-CD1 3.82Å; I504-L509 HydrophobicContact CG2-CD1 4.19Å; I504-L509 HydrophobicContact CG2-CG 4.39Å; I504-L509 PolarHBondContact O-N 3.37Å; Q505-L509 CarbonylContact O-C 3.58Å; L509-N511 PolarHBondContact O-N 2.96Å; L509-N511 VanDerWaalsContact O-N 3.15Å
510K82.3Confident82.4Confident135 Ų13549.7 Ų49.759%0.58723%0.232SC*.  trans51.231.4-179.9-59.8-176.2179.5179.90115.2Q505 Y512Q505-K510 WeakPolarHBondContact O-CA 3.42Å; Q505-K510 PolarHBondContact O-N 3.45Å; K510-Y512 HydrophobicContact CB-CE2 4.12Å; K510-Y512 WeakPolarHBondContact O-CD2 3.28Å; K510-Y512 WeakPolarHBondContact O-CE2 3.29Å; K510-Y512 PolarHBondContact O-N 2.99Å
511N84.6Confident82.4Confident80 Ų8053.1 Ų53.143%0.42825%0.245SC..  trans-92.573.9179.9-76.6-29.1000110.8Q505 L509 Q513 E514 G515Q505-N511 HydrophobicContact CG-CB 4.04Å; Q505-N511 VanDerWaalsContact NE2-CB 3.25Å; Q505-N511 PolarHBondContact O-N 3.06Å; L509-N511 PolarHBondContact O-N 2.96Å; L509-N511 VanDerWaalsContact O-N 3.15Å; N511-Q513 VanDerWaalsContact C-N 3.3Å; N511-Q513 PolarHBondContact O-N 2.9Å; N511-E514 PolarHBondContact O-N 3.39Å; N511-G515 PolarHBondContact O-N 2.73Å
512Y82.5Confident82.2Confident54 Ų5452.9 Ų52.921%0.21225%0.245CC..Hα-helixtrans-61.8-32.2-175.3-54.2-71.5000114L506 K510 L516 T537 H541L506-Y512 HydrophobicContact CD2-CD1 3.77Å; L506-Y512 HydrophobicContact CD2-CE1 4.43Å; K510-Y512 HydrophobicContact CB-CE2 4.12Å; K510-Y512 WeakPolarHBondContact O-CD2 3.28Å; K510-Y512 WeakPolarHBondContact O-CE2 3.29Å; K510-Y512 PolarHBondContact O-N 2.99Å; Y512-L516 WeakPolarHBondContact O-CB 3.38Å; Y512-L516 PolarHBondContact O-N 2.97Å; Y512-T537 HydrophobicContact CE1-CG2 4.47Å; Y512-H541 HydrophobicContact CG-CB 4.47Å
513Q82.3Confident82.1Confident152 Ų15256.2 Ų56.271%0.7127%0.267SS*.Hα-helixtrans-69.1-48.6179.1-69.1179.8-13.600112.5N511 G515 L516 R517N511-Q513 VanDerWaalsContact C-N 3.3Å; N511-Q513 PolarHBondContact O-N 2.9Å; Q513-G515 VanDerWaalsContact C-N 3.33Å; Q513-L516 PolarHBondContact O-N 3.37Å; Q513-R517 WeakPolarHBondContact O-CB 3.42Å; Q513-R517 PolarHBondContact O-N 2.89Å
514E81Confident81.8Confident72 Ų7254.4 Ų54.434%0.33626%0.259SS..Hα-helixtrans-68.4-34.6176.4-75-59.6131.600111.6N511 R517 Y518N511-E514 PolarHBondContact O-N 3.39Å; E514-R517 PolarHBondContact O-N 3.03Å; E514-R517 IonicContact OE1-CZ 3.38Å; E514-R517 IonicContact OE1-NE 2.76Å; E514-R517 PolarHBondContact OE1-NE 3.19Å; E514-R517 IonicContact OE1-NH2 2.73Å; E514-R517 IonicContact OE2-CZ 3.26Å; E514-R517 IonicContact OE2-NE 3.58Å; E514-R517 PolarHBondContact OE2-NE 2.95Å; E514-R517 IonicContact OE2-NH2 3.77Å; E514-R517 PolarHBondContact OE2-NH2 3.13Å; E514-Y518 VanDerWaalsContact O-CB 3.31Å; E514-Y518 WeakPolarHBondContact O-CB 3.47Å; E514-Y518 PolarHBondContact O-N 3.31Å
515G83.4Confident81.5Confident0 Ų061.2 Ų61.20%029%0.291CS..Hα-helixtrans-59.3-46171.200000112.4N511 Q513 Y518 I519N511-G515 PolarHBondContact O-N 2.73Å; Q513-G515 VanDerWaalsContact C-N 3.33Å; G515-Y518 PolarHBondContact O-N 3.09Å; G515-I519 VanDerWaalsContact O-CG1 3.28Å; G515-I519 WeakPolarHBondContact O-CG1 3.48Å; G515-I519 PolarHBondContact O-N 3.3Å
516L82.3Confident81.3Confident22 Ų2263.6 Ų63.612%0.11530%0.302CS..Hα-helixtrans-64.9-42176.1-17470.4000112Y512 Q513 Y518 I519 G520 L538 V542 L549Y512-L516 WeakPolarHBondContact O-CB 3.38Å; Y512-L516 PolarHBondContact O-N 2.97Å; Q513-L516 PolarHBondContact O-N 3.37Å; L516-Y518 VanDerWaalsContact C-N 3.32Å; L516-Y518 PolarHBondContact O-N 3Å; L516-I519 PolarHBondContact O-N 3.47Å; L516-G520 PolarHBondContact O-N 3.11Å; L516-L538 HydrophobicContact CB-CD2 4.46Å; L516-L538 HydrophobicContact CD1-CD1 4.08Å; L516-V542 HydrophobicContact CD2-CG1 4.1Å; L516-L549 HydrophobicContact CD1-CD2 3.62Å; L516-L549 HydrophobicContact CG-CD2 4.41Å
517R83.3Confident81.3Confident124 Ų12463 Ų6347%0.46830%0.299SS..Hα-helixtrans-63-39176.4-168177.175.7148.10.5111.9Q513 E514 G520 R521Q513-R517 WeakPolarHBondContact O-CB 3.42Å; Q513-R517 PolarHBondContact O-N 2.89Å; E514-R517 PolarHBondContact O-N 3.03Å; E514-R517 IonicContact OE1-CZ 3.38Å; E514-R517 IonicContact OE1-NE 2.76Å; E514-R517 PolarHBondContact OE1-NE 3.19Å; E514-R517 IonicContact OE1-NH2 2.73Å; E514-R517 IonicContact OE2-CZ 3.26Å; E514-R517 IonicContact OE2-NE 3.58Å; E514-R517 PolarHBondContact OE2-NE 2.95Å; E514-R517 IonicContact OE2-NH2 3.77Å; E514-R517 PolarHBondContact OE2-NH2 3.13Å; R517-G520 PolarHBondContact O-N 2.97Å; R517-R521 VanDerWaalsContact CZ-NH2 3.32Å; R517-R521 WeakPolarHBondContact O-CG 3.22Å; R517-R521 PolarHBondContact O-N 3.49Å
518Y82.8Confident81.2Confident17 Ų1760.1 Ų60.17%0.06729%0.285CS..Hα-helixtrans-66.2-47.6175.7-173-97.7000111.1E493 H498 Y501 L502 E514 G515 L516 G520 R521 L522E493-Y518 HydrophobicContact CG-CE2 4.11Å; H498-Y518 HydrophobicContact CB-CE1 4.28Å; H498-Y518 AromaticContact ND1-CE1 3.67Å; H498-Y518 AromaticContact ND1-CZ 3.65Å; H498-Y518 PolarHBondContact ND1-OH 3.36Å; Y501-Y518 AromaticContact CD1-CD1 3.42Å; Y501-Y518 HydrophobicContact CD1-CD1 3.42Å; Y501-Y518 VanDerWaalsContact CD1-CD1 3.42Å; Y501-Y518 HydrophobicContact CD1-CD2 4.08Å; Y501-Y518 AromaticContact CD1-CE1 3.53Å; Y501-Y518 HydrophobicContact CD1-CE1 3.53Å; Y501-Y518 HydrophobicContact CD1-CE2 4.2Å; Y501-Y518 AromaticContact CD1-CG 3.69Å; Y501-Y518 HydrophobicContact CD1-CG 3.69Å; Y501-Y518 AromaticContact CD1-CZ 3.94Å; Y501-Y518 HydrophobicContact CD2-CE2 4.37Å; Y501-Y518 AromaticContact CE1-CD1 3.56Å; Y501-Y518 HydrophobicContact CE1-CD1 3.56Å; Y501-Y518 AromaticContact CE1-CD2 3.57Å; Y501-Y518 HydrophobicContact CE1-CD2 3.57Å; Y501-Y518 HydrophobicContact CE1-CE1 4.03Å; Y501-Y518 HydrophobicContact CE1-CE2 4.06Å; Y501-Y518 AromaticContact CE1-CG 3.29Å; Y501-Y518 HydrophobicContact CE1-CG 3.29Å; Y501-Y518 HydrophobicContact CE2-CD2 4.28Å; Y501-Y518 HydrophobicContact CE2-CE2 4.18Å; Y501-Y518 HydrophobicContact CG-CD1 4.26Å; Y501-Y518 AromaticContact CG-CE1 3.92Å; Y501-Y518 HydrophobicContact CG-CE1 3.92Å; Y501-Y518 HydrophobicContact CG-CE2 4.37Å; Y501-Y518 AromaticContact CG-CZ 3.98Å; Y501-Y518 AromaticContact CZ-CD2 3.67Å; Y501-Y518 AromaticContact CZ-CG 3.9Å; L502-Y518 HydrophobicContact CD2-CD1 4.06Å; L502-Y518 HydrophobicContact CG-CD1 4.42Å; E514-Y518 VanDerWaalsContact O-CB 3.31Å; E514-Y518 WeakPolarHBondContact O-CB 3.47Å; E514-Y518 PolarHBondContact O-N 3.31Å; G515-Y518 PolarHBondContact O-N 3.09Å; L516-Y518 VanDerWaalsContact C-N 3.32Å; L516-Y518 PolarHBondContact O-N 3Å; Y518-G520 VanDerWaalsContact C-N 3.27Å; Y518-G520 PolarHBondContact O-N 3.34Å; Y518-R521 WeakPolarHBondContact O-CB 3.46Å; Y518-R521 PolarHBondContact O-N 3.31Å; Y518-L522 HydrophobicContact CD1-CD1 4.25Å; Y518-L522 HydrophobicContact CD1-CD2 4.28Å; Y518-L522 HydrophobicContact CD1-CG 4.34Å; Y518-L522 HydrophobicContact CE1-CD1 4.13Å; Y518-L522 HydrophobicContact CE1-CD2 3.75Å; Y518-L522 HydrophobicContact CE1-CG 4.24Å; Y518-L522 WeakPolarHBondContact O-CG 3.02Å; Y518-L522 PolarHBondContact O-N 3.17Å
519I83Confident81.3Confident0 Ų060.3 Ų60.30%029%0.292CS..Hα-helixtrans-55-44.4175.5-68.2166.9000110.7L502 G515 L516 R521 L522 T527 N530 M531 L538 L549 Y557L502-I519 HydrophobicContact CD1-CD1 4.08Å; L502-I519 HydrophobicContact CD1-CG1 3.71Å; L502-I519 HydrophobicContact CD2-CD1 3.94Å; L502-I519 HydrophobicContact CD2-CG1 3.63Å; L502-I519 HydrophobicContact CG-CG1 4.33Å; G515-I519 VanDerWaalsContact O-CG1 3.28Å; G515-I519 WeakPolarHBondContact O-CG1 3.48Å; G515-I519 PolarHBondContact O-N 3.3Å; L516-I519 PolarHBondContact O-N 3.47Å; I519-R521 PolarHBondContact O-N 3.38Å; I519-L522 WeakPolarHBondContact O-CB 3.13Å; I519-L522 PolarHBondContact O-N 3.07Å; I519-L522 VanDerWaalsContact O-N 3.11Å; I519-T527 HydrophobicContact CG2-CG2 3.82Å; I519-T527 PolarHBondContact O-OG1 3.07Å; I519-N530 HydrophobicContact CD1-CB 4.5Å; I519-N530 HydrophobicContact CG1-CB 4.4Å; I519-M531 HydrophobicContact CG2-CG 4.04Å; I519-M531 HydrophobicContact CG2-SD 4.04Å; I519-L538 HydrophobicContact CD1-CD1 3.68Å; I519-L549 HydrophobicContact CG2-CD2 3.98Å; I519-Y557 PolarHBondContact O-OH 3.41Å
520G79.9Confident81.4Confident22 Ų2257.5 Ų57.523%0.22728%0.277CS..THydrogen-bonded Turntrans-69.3-6.1177.900000116L516 R517 Y518 Y557L516-G520 PolarHBondContact O-N 3.11Å; R517-G520 PolarHBondContact O-N 2.97Å; Y518-G520 VanDerWaalsContact C-N 3.27Å; Y518-G520 PolarHBondContact O-N 3.34Å; G520-Y557 VanDerWaalsContact C-OH 3.28Å; G520-Y557 PolarHBondContact O-OH 3.09Å; G520-Y557 VanDerWaalsContact O-OH 3.09Å
521R81.2Confident81.5Confident110 Ų11051 Ų5142%0.41525%0.249SC..THydrogen-bonded Turntrans-98.1-12.4171.9-70.2173.9179.8179.6-0.5112.8R517 Y518 I519 P559R517-R521 VanDerWaalsContact CZ-NH2 3.32Å; R517-R521 WeakPolarHBondContact O-CG 3.22Å; R517-R521 PolarHBondContact O-N 3.49Å; Y518-R521 WeakPolarHBondContact O-CB 3.46Å; Y518-R521 PolarHBondContact O-N 3.31Å; I519-R521 PolarHBondContact O-N 3.38Å; R521-P559 WeakPolarHBondContact O-CB 3.46Å
522L81.1Confident81.3Confident7 Ų751.3 Ų51.34%0.03725%0.246CC..SBendtrans-74.7158.5-176.2-64-178.7000111.7H498 Y518 I519 Q526 T527 Y557H498-L522 HydrophobicContact CB-CD1 3.95Å; H498-L522 WeakPolarHBondContact CE1-CD2 3.26Å; H498-L522 WeakPolarHBondContact ND1-CD2 3.21Å; Y518-L522 HydrophobicContact CD1-CD1 4.25Å; Y518-L522 HydrophobicContact CD1-CD2 4.28Å; Y518-L522 HydrophobicContact CD1-CG 4.34Å; Y518-L522 HydrophobicContact CE1-CD1 4.13Å; Y518-L522 HydrophobicContact CE1-CD2 3.75Å; Y518-L522 HydrophobicContact CE1-CG 4.24Å; Y518-L522 WeakPolarHBondContact O-CG 3.02Å; Y518-L522 PolarHBondContact O-N 3.17Å; I519-L522 WeakPolarHBondContact O-CB 3.13Å; I519-L522 PolarHBondContact O-N 3.07Å; I519-L522 VanDerWaalsContact O-N 3.11Å; L522-Q526 HydrophobicContact CB-CB 4.27Å; L522-Q526 HydrophobicContact CD1-CB 4.39Å; L522-T527 PolarHBondContact O-OG1 3.26Å; L522-T527 VanDerWaalsContact O-OG1 3.07Å; L522-Y557 WeakPolarHBondContact O-CE1 3.37Å; L522-Y557 PolarHBondContact O-OH 3.44Å
523P80.1Confident81.3Confident71 Ų7155.7 Ų55.746%0.46126%0.262SS..  trans-53.7154.5167-24.634000112.4E525 Q526 T527P523-E525 PolarHBondContact O-N 3.33Å; P523-Q526 PolarHBondContact O-N 2.68Å; P523-T527 PolarHBondContact O-N 2.93Å; P523-T527 PolarHBondContact O-OG1 3.48Å
524F77.8Confident81.3Confident28 Ų2849.5 Ų49.512%0.12323%0.232CC..Hα-helixtrans-49.8-52.3-174.3171.2-90.1000113.8Q526 T527 E528 L553 Y557 N575 A577F524-Q526 VanDerWaalsContact C-N 3.33Å; F524-Q526 PolarHBondContact O-N 3.31Å; F524-T527 WeakPolarHBondContact O-CB 3.45Å; F524-T527 PolarHBondContact O-N 3.46Å; F524-E528 PolarHBondContact O-N 3.08Å; F524-L553 HydrophobicContact CD2-CD1 3.78Å; F524-L553 HydrophobicContact CE2-CD1 3.91Å; F524-L553 HydrophobicContact CE2-CG 4.45Å; F524-Y557 HydrophobicContact CB-CD1 4.04Å; F524-Y557 HydrophobicContact CB-CE1 4.47Å; F524-Y557 HydrophobicContact CD2-CD1 4.25Å; F524-Y557 HydrophobicContact CD2-CG 4.4Å; F524-N575 HydrophobicContact CB-CB 4.21Å; F524-N575 HydrophobicContact CD1-CB 3.52Å; F524-N575 HydrophobicContact CD2-CB 3.8Å; F524-N575 WeakPolarHBondContact CD2-O 3.47Å; F524-N575 HydrophobicContact CE1-CB 3.75Å; F524-N575 VanDerWaalsContact CE2-C 3.45Å; F524-N575 HydrophobicContact CE2-CB 3.99Å; F524-N575 WeakPolarHBondContact CE2-O 3.48Å; F524-N575 HydrophobicContact CG-CB 3.54Å; F524-N575 HydrophobicContact CZ-CB 3.96Å; F524-A577 HydrophobicContact CE2-CB 3.81Å; F524-A577 HydrophobicContact CZ-CB 3.58Å
525E76.3Confident81.3Confident143 Ų14346 Ų4667%0.66822%0.216SC*.Hα-helixtrans-62.7-39.8-175.8-64.2-179.4172.300112.7P523 S529P523-E525 PolarHBondContact O-N 3.33Å; E525-S529 WeakPolarHBondContact O-CB 3.43Å; E525-S529 PolarHBondContact O-N 2.65Å
526Q79.3Confident81.2Confident62 Ų6252.5 Ų52.529%0.2924%0.244SC..Hα-helixtrans-73.6-35.3179.4-63.5179.4-2.200111.4H498 L522 P523 F524 N530H498-Q526 PolarHBondContact CD2-NE2 3.23Å; H498-Q526 PolarHBondContact CD2-OE1 3.1Å; H498-Q526 PolarHBondContact NE2-NE2 3.37Å; H498-Q526 PolarHBondContact NE2-OE1 3.36Å; L522-Q526 HydrophobicContact CB-CB 4.27Å; L522-Q526 HydrophobicContact CD1-CB 4.39Å; P523-Q526 PolarHBondContact O-N 2.68Å; F524-Q526 VanDerWaalsContact C-N 3.33Å; F524-Q526 PolarHBondContact O-N 3.31Å; Q526-N530 VanDerWaalsContact O-CB 3.26Å; Q526-N530 WeakPolarHBondContact O-CB 3.29Å; Q526-N530 VanDerWaalsContact O-CG 3.29Å; Q526-N530 PolarHBondContact O-N 3.23Å; Q526-N530 PolarHBondContact O-ND2 3.01Å
527T81.7Confident81.2Confident0 Ų054.6 Ų54.60%026%0.258CS..Hα-helixtrans-62.4-47.4174.1-54.90000110I519 L522 P523 F524 N530 M531 L553 Y557I519-T527 HydrophobicContact CG2-CG2 3.82Å; I519-T527 PolarHBondContact O-OG1 3.07Å; L522-T527 PolarHBondContact O-OG1 3.26Å; L522-T527 VanDerWaalsContact O-OG1 3.07Å; P523-T527 PolarHBondContact O-N 2.93Å; P523-T527 PolarHBondContact O-OG1 3.48Å; F524-T527 WeakPolarHBondContact O-CB 3.45Å; F524-T527 PolarHBondContact O-N 3.46Å; T527-N530 PolarHBondContact O-N 2.79Å; T527-M531 HydrophobicContact CG2-CG 4.42Å; T527-M531 VanDerWaalsContact O-CB 3.27Å; T527-M531 WeakPolarHBondContact O-CB 3.26Å; T527-M531 WeakPolarHBondContact O-CG 3.41Å; T527-M531 PolarHBondContact O-N 3.39Å; T527-L553 HydrophobicContact CG2-CD1 3.81Å; T527-L553 HydrophobicContact CG2-CD2 4.38Å; T527-Y557 HydrophobicContact CG2-CE2 3.95Å; T527-Y557 PolarHBondContact OG1-OH 3.25Å
528E80.8Confident81.2Confident34 Ų3448.8 Ų48.816%0.15924%0.236CC..Hα-helixtrans-57.8-51.9175.8169.1172.2-155.700112.5F524 N530 M531 K532 L553 F582F524-E528 PolarHBondContact O-N 3.08Å; E528-N530 PolarHBondContact O-N 2.81Å; E528-M531 PolarHBondContact O-N 2.95Å; E528-K532 HydrophobicContact CG-CD 4.28Å; E528-K532 WeakPolarHBondContact O-CG 3.38Å; E528-K532 PolarHBondContact O-N 3.44Å; E528-K532 IonicContact OE1-NZ 3.44Å; E528-K532 PolarHBondContact OE1-NZ 2.97Å; E528-L553 HydrophobicContact CB-CD2 4.35Å; E528-F582 HydrophobicContact CB-CZ 4.43Å; E528-F582 HydrophobicContact CG-CZ 3.95Å
529S82.1Confident81.2Confident67 Ų6748.1 Ų48.147%0.46923%0.234SC..Hα-helixtrans-61.6-44.7-180-177.10000112.4E525 M531 K532 R533E525-S529 WeakPolarHBondContact O-CB 3.43Å; E525-S529 PolarHBondContact O-N 2.65Å; S529-M531 PolarHBondContact O-N 3.45Å; S529-K532 PolarHBondContact O-N 2.82Å; S529-R533 PolarHBondContact O-N 3.09Å
530N82.5Confident81.2Confident7 Ų755.1 Ų55.14%0.03727%0.266CS..Hα-helixtrans-68.4-35.4178.9-74.7-52.1000112.4L502 I519 Q526 T527 E528 R533 Y534L502-N530 HydrophobicContact CD1-CB 3.88Å; L502-N530 VanDerWaalsContact CD1-CG 3.42Å; L502-N530 WeakPolarHBondContact CD1-OD1 3.42Å; I519-N530 HydrophobicContact CD1-CB 4.5Å; I519-N530 HydrophobicContact CG1-CB 4.4Å; Q526-N530 VanDerWaalsContact O-CB 3.26Å; Q526-N530 WeakPolarHBondContact O-CB 3.29Å; Q526-N530 VanDerWaalsContact O-CG 3.29Å; Q526-N530 PolarHBondContact O-N 3.23Å; Q526-N530 PolarHBondContact O-ND2 3.01Å; T527-N530 PolarHBondContact O-N 2.79Å; E528-N530 PolarHBondContact O-N 2.81Å; N530-R533 PolarHBondContact O-N 3.22Å; N530-Y534 PolarHBondContact O-N 3.07Å
531M82.6Confident81.2Confident0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-67.8-34.9174.2-76-56.9-67.200112.2I519 T527 E528 S529 R533 G535 L538 T546 L549 L550 F582 I585I519-M531 HydrophobicContact CG2-CG 4.04Å; I519-M531 HydrophobicContact CG2-SD 4.04Å; T527-M531 HydrophobicContact CG2-CG 4.42Å; T527-M531 VanDerWaalsContact O-CB 3.27Å; T527-M531 WeakPolarHBondContact O-CB 3.26Å; T527-M531 WeakPolarHBondContact O-CG 3.41Å; T527-M531 PolarHBondContact O-N 3.39Å; E528-M531 PolarHBondContact O-N 2.95Å; S529-M531 PolarHBondContact O-N 3.45Å; M531-R533 VanDerWaalsContact C-N 3.31Å; M531-R533 PolarHBondContact O-N 2.98Å; M531-G535 WeakPolarHBondContact O-CA 3.38Å; M531-G535 PolarHBondContact O-N 2.91Å; M531-L538 HydrophobicContact SD-CD1 4.21Å; M531-T546 HydrophobicContact CE-CG2 3.47Å; M531-T546 VanDerWaalsContact CE-CG2 3.47Å; M531-L549 HydrophobicContact CG-CD2 4.49Å; M531-L549 HydrophobicContact SD-CD2 3.89Å; M531-L550 HydrophobicContact CB-CD2 4.48Å; M531-L550 HydrophobicContact CE-CD1 4.21Å; M531-L550 HydrophobicContact CE-CD2 3.77Å; M531-L550 HydrophobicContact CE-CG 3.76Å; M531-F582 HydrophobicContact CB-CE1 3.98Å; M531-I585 WeakPolarHBondContact O-CD1 3.48Å
532K82.1Confident81.3Confident85 Ų8555.2 Ų55.237%0.3727%0.268SS..Hα-helixtrans-62.1-38.3171.7-72.8169-178.4172.90112.1E528 S529 E581 F582E528-K532 HydrophobicContact CG-CD 4.28Å; E528-K532 WeakPolarHBondContact O-CG 3.38Å; E528-K532 PolarHBondContact O-N 3.44Å; E528-K532 IonicContact OE1-NZ 3.44Å; E528-K532 PolarHBondContact OE1-NZ 2.97Å; S529-K532 PolarHBondContact O-N 2.82Å; K532-E581 WeakPolarHBondContact CE-OE2 3.41Å; K532-E581 IonicContact NZ-OE2 3.52Å; K532-E581 PolarHBondContact NZ-OE2 3.34Å; K532-F582 HydrophobicContact CG-CE1 3.89Å
533R81.6Confident81.2Confident146 Ų14657.2 Ų57.255%0.55128%0.281SS*.Hα-helixtrans-82.4-47.4-176.1-167.5174.1-175.3171.51.8114E499 S529 N530 M531E499-R533 IonicContact OE1-NH1 3.34Å; E499-R533 PolarHBondContact OE1-NH1 2.84Å; S529-R533 PolarHBondContact O-N 3.09Å; N530-R533 PolarHBondContact O-N 3.22Å; M531-R533 VanDerWaalsContact C-N 3.31Å; M531-R533 PolarHBondContact O-N 2.98Å
534Y82.3Confident81.2Confident22 Ų2261.4 Ų61.49%0.08629%0.294CS..Hα-helixtrans-105.7-8.1-174-60.4-68.8000113.7L502 L506 N530 K536 T537 L538L502-Y534 HydrophobicContact CB-CE2 4.05Å; L502-Y534 HydrophobicContact CD1-CD2 4.37Å; L502-Y534 HydrophobicContact CD1-CE2 4.32Å; L506-Y534 HydrophobicContact CD1-CD1 3.7Å; L506-Y534 HydrophobicContact CD1-CD2 4.17Å; L506-Y534 HydrophobicContact CD1-CE1 4.17Å; L506-Y534 HydrophobicContact CD1-CG 3.7Å; N530-Y534 PolarHBondContact O-N 3.07Å; Y534-K536 VanDerWaalsContact C-N 3.3Å; Y534-K536 PolarHBondContact O-N 3.42Å; Y534-T537 WeakPolarHBondContact O-CB 3.37Å; Y534-T537 PolarHBondContact O-N 3.17Å; Y534-T537 VanDerWaalsContact O-N 3.07Å; Y534-L538 WeakPolarHBondContact O-CG 3.47Å; Y534-L538 PolarHBondContact O-N 2.8Å
535G81.8Confident81.3Confident0 Ų061.2 Ų61.20%030%0.3CS..Hα-helixtrans-61.4-32.6-174.400000114.1M531 L538 M539M531-G535 WeakPolarHBondContact O-CA 3.38Å; M531-G535 PolarHBondContact O-N 2.91Å; G535-L538 PolarHBondContact O-N 3.42Å; G535-M539 WeakPolarHBondContact O-CB 3.22Å; G535-M539 PolarHBondContact O-N 2.87Å
536K81.6Confident81.7Confident136 Ų13654.4 Ų54.459%0.59127%0.268SS*.Hα-helixtrans-64-43.2173.7-69-178.2178.9178.80112.1Y534 H540Y534-K536 VanDerWaalsContact C-N 3.3Å; Y534-K536 PolarHBondContact O-N 3.42Å; K536-H540 PolarHBondContact O-N 3.27Å; K536-H540 VanDerWaalsContact O-N 3.1Å
537T82.4Confident81.8Confident66 Ų6651.6 Ų51.641%0.40526%0.256SS..Hα-helixtrans-67.6-42.4177.6-50.90000111Y512 Y534 H540 H541Y512-T537 HydrophobicContact CE1-CG2 4.47Å; Y534-T537 WeakPolarHBondContact O-CB 3.37Å; Y534-T537 PolarHBondContact O-N 3.17Å; Y534-T537 VanDerWaalsContact O-N 3.07Å; T537-H540 PolarHBondContact O-N 3.48Å; T537-H541 PolarHBondContact O-CD2 3.31Å; T537-H541 PolarHBondContact O-N 3.48Å
538L82.3Confident81.9Confident1 Ų155.8 Ų55.81%0.00528%0.278CS..Hα-helixtrans-67.3-39.5176.5-67.6168.9000111.9L506 L516 I519 M531 Y534 G535 H540 H541 V542 T546L506-L538 HydrophobicContact CD2-CD2 4.15Å; L516-L538 HydrophobicContact CB-CD2 4.46Å; L516-L538 HydrophobicContact CD1-CD1 4.08Å; I519-L538 HydrophobicContact CD1-CD1 3.68Å; M531-L538 HydrophobicContact SD-CD1 4.21Å; Y534-L538 WeakPolarHBondContact O-CG 3.47Å; Y534-L538 PolarHBondContact O-N 2.8Å; G535-L538 PolarHBondContact O-N 3.42Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.1Å; L538-H541 PolarHBondContact O-N 2.67Å; L538-V542 CarbonylContact O-C 3.3Å; L538-V542 VanDerWaalsContact O-C 3.3Å; L538-V542 WeakPolarHBondContact O-CA 3.13Å; L538-V542 PolarHBondContact O-N 3.38Å; L538-T546 VanDerWaalsContact C-OG1 3.3Å; L538-T546 HydrophobicContact CB-CG2 4.22Å; L538-T546 PolarHBondContact O-OG1 3.42Å
539M82.4Confident81.9Confident4 Ų454.9 Ų54.92%0.0227%0.274CS..Hα-helixtrans-65.7-29.8176.1-169.163.473.400112.2G535 P543 T546 L550 I585 F586G535-M539 WeakPolarHBondContact O-CB 3.22Å; G535-M539 PolarHBondContact O-N 2.87Å; M539-P543 WeakPolarHBondContact O-CB 3.44Å; M539-P543 HydrophobicContact SD-CB 4.16Å; M539-T546 HydrophobicContact CB-CG2 4.3Å; M539-T546 HydrophobicContact CE-CG2 3.61Å; M539-T546 HydrophobicContact SD-CG2 4.33Å; M539-L550 HydrophobicContact CE-CD1 3.82Å; M539-I585 HydrophobicContact CB-CG2 4.05Å; M539-I585 HydrophobicContact CE-CG2 4.08Å; M539-I585 HydrophobicContact CG-CG2 4.41Å; M539-F586 HydrophobicContact CE-CD1 3.64Å; M539-F586 HydrophobicContact CE-CE1 3.32Å; M539-F586 HydrophobicContact CE-CG 4.38Å; M539-F586 HydrophobicContact CE-CZ 3.83Å; M539-F586 HydrophobicContact SD-CD1 4.31Å; M539-F586 HydrophobicContact SD-CE1 4.31Å
540H82.6Confident81.9Confident147 Ų14751.7 Ų51.768%0.68125%0.252SS*.Hα-helixtrans-72.5-39.7175.2-173.269.2000112.8K536 T537 L538K536-H540 PolarHBondContact O-N 3.27Å; K536-H540 VanDerWaalsContact O-N 3.1Å; T537-H540 PolarHBondContact O-N 3.48Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.1Å
541H80.5Confident81.8Confident98 Ų9853.7 Ų53.745%0.45426%0.26SS..Hα-helixtrans-96.4-29.4-175.2-70.6-67.5000114.6Y512 T537 L538Y512-H541 HydrophobicContact CG-CB 4.47Å; T537-H541 PolarHBondContact O-CD2 3.31Å; T537-H541 PolarHBondContact O-N 3.48Å; L538-H541 PolarHBondContact O-N 2.67Å
542V84.2Confident81.6Confident36 Ų3658.9 Ų58.922%0.21828%0.279CS..  trans-140.969.5-176.8-168.30000110.1L516 L538 T546L516-V542 HydrophobicContact CD2-CG1 4.1Å; L538-V542 CarbonylContact O-C 3.3Å; L538-V542 VanDerWaalsContact O-C 3.3Å; L538-V542 WeakPolarHBondContact O-CA 3.13Å; L538-V542 PolarHBondContact O-N 3.38Å; V542-T546 VanDerWaalsContact O-CB 3.29Å; V542-T546 WeakPolarHBondContact O-CB 3.07Å; V542-T546 PolarHBondContact O-N 3.02Å; V542-T546 VanDerWaalsContact O-N 3.08Å; V542-T546 PolarHBondContact O-OG1 2.85Å
543P79.4Confident81.6Confident48 Ų4854.8 Ų54.831%0.31226%0.262SS..Hα-helixtrans-65.1-43.2-172.322.9-32.7000113.8M539 T546 T547M539-P543 WeakPolarHBondContact O-CB 3.44Å; M539-P543 HydrophobicContact SD-CB 4.16Å; P543-T546 PolarHBondContact O-N 3.44Å; P543-T547 WeakPolarHBondContact O-CB 3.44Å; P543-T547 PolarHBondContact O-N 3.29Å; P543-T547 PolarHBondContact O-OG1 3.26Å
544E79.9Confident81.1Confident159 Ų15948.2 Ų48.274%0.74324%0.238SC*.Hα-helixtrans-65.9-47.7-177.9-64.7178178.600111.8T546 T547 L548E544-T546 VanDerWaalsContact C-N 3.33Å; E544-T546 PolarHBondContact O-N 3.29Å; E544-T547 PolarHBondContact O-N 3.33Å; E544-L548 WeakPolarHBondContact O-CB 3.49Å; E544-L548 PolarHBondContact O-N 3.49Å
545G79.8Confident80.7Confident24 Ų2448 Ų4825%0.24724%0.239CC..Hα-helixtrans-64.6-37.2177.900000112.7L549G545-L549 PolarHBondContact O-N 2.85Å; G545-L549 VanDerWaalsContact O-N 3.09Å
546T83.9Confident80Confident0 Ų051.9 Ų51.90%026%0.26CS..Hα-helixtrans-68.9-41.7177.9-54.30000111.3M531 L538 M539 V542 P543 E544 L549 L550M531-T546 HydrophobicContact CE-CG2 3.47Å; M531-T546 VanDerWaalsContact CE-CG2 3.47Å; L538-T546 VanDerWaalsContact C-OG1 3.3Å; L538-T546 HydrophobicContact CB-CG2 4.22Å; L538-T546 PolarHBondContact O-OG1 3.42Å; M539-T546 HydrophobicContact CB-CG2 4.3Å; M539-T546 HydrophobicContact CE-CG2 3.61Å; M539-T546 HydrophobicContact SD-CG2 4.33Å; V542-T546 VanDerWaalsContact O-CB 3.29Å; V542-T546 WeakPolarHBondContact O-CB 3.07Å; V542-T546 PolarHBondContact O-N 3.02Å; V542-T546 VanDerWaalsContact O-N 3.08Å; V542-T546 PolarHBondContact O-OG1 2.85Å; P543-T546 PolarHBondContact O-N 3.44Å; E544-T546 VanDerWaalsContact C-N 3.33Å; E544-T546 PolarHBondContact O-N 3.29Å; T546-L549 PolarHBondContact O-N 3.2Å; T546-L550 HydrophobicContact CG2-CD1 4.28Å; T546-L550 WeakPolarHBondContact O-CG 3.28Å; T546-L550 PolarHBondContact O-N 2.99Å
547T82.1Confident79.4Confident3 Ų346.3 Ų46.32%0.01824%0.235CC..Hα-helixtrans-65.3-40.8177-560000111.5P543 E544 L549 L550 K551 F586 E592P543-T547 WeakPolarHBondContact O-CB 3.44Å; P543-T547 PolarHBondContact O-N 3.29Å; P543-T547 PolarHBondContact O-OG1 3.26Å; E544-T547 PolarHBondContact O-N 3.33Å; T547-L549 PolarHBondContact O-N 2.97Å; T547-L550 PolarHBondContact O-N 3.38Å; T547-K551 WeakPolarHBondContact O-CG 3.27Å; T547-K551 PolarHBondContact O-N 2.88Å; T547-F586 HydrophobicContact CG2-CE1 4.06Å; T547-F586 HydrophobicContact CG2-CZ 4.5Å; T547-E592 HydrophobicContact CG2-CB 4.33Å
548L82.9Confident78.6Confident89 Ų8949.5 Ų49.547%0.46625%0.245SC..Hα-helixtrans-62.5-41.6175.7-175.863.4000112E544 K551 R552E544-L548 WeakPolarHBondContact O-CB 3.49Å; E544-L548 PolarHBondContact O-N 3.49Å; L548-K551 PolarHBondContact O-N 3.47Å; L548-R552 WeakPolarHBondContact O-CG 3.5Å; L548-R552 PolarHBondContact O-N 3.47Å; L548-R552 VanDerWaalsContact O-N 3.1Å
549L81.1Confident77.4Confident15 Ų1552.2 Ų52.28%0.07926%0.263CS..Hα-helixtrans-66.6-41.6176.9-176.360.9000111.8L516 I519 M531 G545 T546 T547 R552 L553 Y557L516-L549 HydrophobicContact CD1-CD2 3.62Å; L516-L549 HydrophobicContact CG-CD2 4.41Å; I519-L549 HydrophobicContact CG2-CD2 3.98Å; M531-L549 HydrophobicContact CG-CD2 4.49Å; M531-L549 HydrophobicContact SD-CD2 3.89Å; G545-L549 PolarHBondContact O-N 2.85Å; G545-L549 VanDerWaalsContact O-N 3.09Å; T546-L549 PolarHBondContact O-N 3.2Å; T547-L549 PolarHBondContact O-N 2.97Å; L549-R552 PolarHBondContact O-N 2.9Å; L549-L553 WeakPolarHBondContact O-CB 3.21Å; L549-L553 PolarHBondContact O-N 3.47Å; L549-Y557 HydrophobicContact CD1-CE2 4.19Å
550L81.2Confident76.1Confident0 Ų056.4 Ų56.40%029%0.285CS..Hα-helixtrans-64.4-40.7175.7-73.5171.5000112.2M531 M539 T546 T547 R552 L553 C554 F582 F586 F596M531-L550 HydrophobicContact CB-CD2 4.48Å; M531-L550 HydrophobicContact CE-CD1 4.21Å; M531-L550 HydrophobicContact CE-CD2 3.77Å; M531-L550 HydrophobicContact CE-CG 3.76Å; M539-L550 HydrophobicContact CE-CD1 3.82Å; T546-L550 HydrophobicContact CG2-CD1 4.28Å; T546-L550 WeakPolarHBondContact O-CG 3.28Å; T546-L550 PolarHBondContact O-N 2.99Å; T547-L550 PolarHBondContact O-N 3.38Å; L550-R552 VanDerWaalsContact C-N 3.33Å; L550-R552 PolarHBondContact O-N 3.04Å; L550-L553 PolarHBondContact O-N 3.02Å; L550-C554 PolarHBondContact O-N 3.2Å; L550-C554 VanDerWaalsContact O-N 3.09Å; L550-F582 HydrophobicContact CD2-CB 4.2Å; L550-F582 HydrophobicContact CD2-CD1 3.65Å; L550-F582 HydrophobicContact CD2-CD2 4.36Å; L550-F582 HydrophobicContact CD2-CE1 4.01Å; L550-F582 HydrophobicContact CD2-CG 3.81Å; L550-F582 HydrophobicContact CD2-CZ 4.49Å; L550-F586 HydrophobicContact CB-CZ 4.34Å; L550-F586 HydrophobicContact CD1-CE1 4.3Å; L550-F586 HydrophobicContact CD1-CE2 3.67Å; L550-F586 HydrophobicContact CD1-CZ 3.41Å; L550-F586 VanDerWaalsContact CD1-CZ 3.41Å; L550-F596 HydrophobicContact CB-CD2 4.44Å; L550-F596 HydrophobicContact CB-CE2 4.14Å
551K81.2Confident74.5Confident48 Ų4856.6 Ų56.621%0.20929%0.286CS..Hα-helixtrans-57.5-45.4172.5-76.2-179.1177.3-172.70111.5T547 L548 T555 A595 F596 H599T547-K551 WeakPolarHBondContact O-CG 3.27Å; T547-K551 PolarHBondContact O-N 2.88Å; L548-K551 PolarHBondContact O-N 3.47Å; K551-T555 WeakPolarHBondContact O-CB 3.35Å; K551-T555 WeakPolarHBondContact O-CG2 3.08Å; K551-T555 PolarHBondContact O-N 3.24Å; K551-T555 PolarHBondContact O-OG1 2.9Å; K551-A595 WeakPolarHBondContact CE-O 3.29Å; K551-A595 PolarHBondContact NZ-O 3.31Å; K551-A595 VanDerWaalsContact NZ-O 3.15Å; K551-F596 HydrophobicContact CG-CD2 4.04Å; K551-H599 HydrophobicContact CD-CB 4.46Å
552R79Confident72.6Confident109 Ų10959 Ų5941%0.41130%0.303SS..Hα-helixtrans-65.5-41.9176.8-68.4178-162.2-161.11.6112L548 L549 L550 C554 T555 N556 Y557 E561L548-R552 WeakPolarHBondContact O-CG 3.5Å; L548-R552 PolarHBondContact O-N 3.47Å; L548-R552 VanDerWaalsContact O-N 3.1Å; L549-R552 PolarHBondContact O-N 2.9Å; L550-R552 VanDerWaalsContact C-N 3.33Å; L550-R552 PolarHBondContact O-N 3.04Å; R552-C554 VanDerWaalsContact C-N 3.31Å; R552-C554 PolarHBondContact O-N 2.97Å; R552-T555 PolarHBondContact O-N 3.15Å; R552-N556 CarbonylContact O-C 3.45Å; R552-N556 PolarHBondContact O-N 3.09Å; R552-Y557 WeakPolarHBondContact O-CA 3.32Å; R552-Y557 PolarHBondContact O-N 3.26Å; R552-Y557 VanDerWaalsContact O-N 3.12Å; R552-E561 IonicContact NH1-OE1 2.64Å; R552-E561 PolarHBondContact NH1-OE1 3.35Å; R552-E561 IonicContact NH2-OE1 3.45Å
553L80.6Confident70.5Confident0 Ų064.4 Ų64.40%033%0.329CS..Hα-helixtrans-62.9-36.2-178.1-171.165.3000112.8F524 T527 E528 L549 L550 Y557 A577 F582F524-L553 HydrophobicContact CD2-CD1 3.78Å; F524-L553 HydrophobicContact CE2-CD1 3.91Å; F524-L553 HydrophobicContact CE2-CG 4.45Å; T527-L553 HydrophobicContact CG2-CD1 3.81Å; T527-L553 HydrophobicContact CG2-CD2 4.38Å; E528-L553 HydrophobicContact CB-CD2 4.35Å; L549-L553 WeakPolarHBondContact O-CB 3.21Å; L549-L553 PolarHBondContact O-N 3.47Å; L550-L553 PolarHBondContact O-N 3.02Å; L553-Y557 HydrophobicContact CB-CD2 4.46Å; L553-Y557 HydrophobicContact CD1-CD1 4.49Å; L553-Y557 HydrophobicContact CD1-CD2 3.91Å; L553-Y557 HydrophobicContact CD1-CE2 4.34Å; L553-Y557 HydrophobicContact CD1-CG 4Å; L553-A577 HydrophobicContact CD2-CB 4.23Å; L553-A577 HydrophobicContact CG-CB 3.9Å; L553-A577 PolarHBondContact O-N 2.93Å; L553-F582 HydrophobicContact CD2-CE1 4.37Å; L553-F582 HydrophobicContact CD2-CE2 4.06Å; L553-F582 HydrophobicContact CD2-CZ 3.63Å
554C72.7Confident68.7Low8 Ų870.5 Ų70.55%0.05436%0.356CS..Hα-helixtrans-91-7.8-178.9-66.50000114.4L550 R552 A577 F596 M600L550-C554 PolarHBondContact O-N 3.2Å; L550-C554 VanDerWaalsContact O-N 3.09Å; R552-C554 VanDerWaalsContact C-N 3.31Å; R552-C554 PolarHBondContact O-N 2.97Å; C554-A577 PolarHBondContact SG-O 3.36Å; C554-F596 HydrophobicContact CB-CE2 4.28Å; C554-F596 HydrophobicContact CB-CZ 4.28Å; C554-M600 HydrophobicContact CB-CE 4.21Å; C554-M600 HydrophobicContact CB-SD 3.29Å; C554-M600 WeakPolarHBondContact CB-SD 3.42Å
555T72.6Confident67Low17 Ų1771.2 Ų71.210%0.10436%0.359CS..Hα-helixtrans-111-76.8-178.953.20000112.6K551 R552 K576 M600 V603K551-T555 WeakPolarHBondContact O-CB 3.35Å; K551-T555 WeakPolarHBondContact O-CG2 3.08Å; K551-T555 PolarHBondContact O-N 3.24Å; K551-T555 PolarHBondContact O-OG1 2.9Å; R552-T555 PolarHBondContact O-N 3.15Å; T555-K576 VanDerWaalsContact O-CE 3.25Å; T555-K576 WeakPolarHBondContact O-CE 3.35Å; T555-K576 WeakPolarHBondContact O-CG 3.15Å; T555-M600 HydrophobicContact CG2-CE 3.51Å; T555-M600 HydrophobicContact CG2-SD 4.19Å; T555-V603 HydrophobicContact CG2-CB 3.84Å; T555-V603 HydrophobicContact CG2-CG1 3.59Å; T555-V603 HydrophobicContact CG2-CG2 4.1Å
556N66.8Low65.2Low81 Ų8179.4 Ų79.443%0.43339%0.388SS..  trans-142.473.3-175.8-74.3-24.8000110.1R552 H558 L574R552-N556 CarbonylContact O-C 3.45Å; R552-N556 PolarHBondContact O-N 3.09Å; N556-H558 PolarHBondContact O-N 3.39Å; N556-H558 PolarHBondContact O-ND1 3.41Å; N556-L574 HydrophobicContact CB-CD2 4.22Å; N556-L574 VanDerWaalsContact OD1-CD2 3.3Å; N556-L574 WeakPolarHBondContact OD1-CD2 3.49Å
557Y69.6Low62.9Low20 Ų2085.9 Ų85.98%0.07843%0.428CS..  trans-70.9122.6-177.4-173.6-102.8000112I519 G520 L522 F524 T527 L549 R552 L553 P559I519-Y557 PolarHBondContact O-OH 3.41Å; G520-Y557 VanDerWaalsContact C-OH 3.28Å; G520-Y557 PolarHBondContact O-OH 3.09Å; G520-Y557 VanDerWaalsContact O-OH 3.09Å; L522-Y557 WeakPolarHBondContact O-CE1 3.37Å; L522-Y557 PolarHBondContact O-OH 3.44Å; F524-Y557 HydrophobicContact CB-CD1 4.04Å; F524-Y557 HydrophobicContact CB-CE1 4.47Å; F524-Y557 HydrophobicContact CD2-CD1 4.25Å; F524-Y557 HydrophobicContact CD2-CG 4.4Å; T527-Y557 HydrophobicContact CG2-CE2 3.95Å; T527-Y557 PolarHBondContact OG1-OH 3.25Å; L549-Y557 HydrophobicContact CD1-CE2 4.19Å; R552-Y557 WeakPolarHBondContact O-CA 3.32Å; R552-Y557 PolarHBondContact O-N 3.26Å; R552-Y557 VanDerWaalsContact O-N 3.12Å; L553-Y557 HydrophobicContact CB-CD2 4.46Å; L553-Y557 HydrophobicContact CD1-CD1 4.49Å; L553-Y557 HydrophobicContact CD1-CD2 3.91Å; L553-Y557 HydrophobicContact CD1-CE2 4.34Å; L553-Y557 HydrophobicContact CD1-CG 4Å; Y557-P559 HydrophobicContact CE1-CB 4.26Å; Y557-P559 HydrophobicContact CE1-CG 4.44Å
558H65.1Low61Low132 Ų13290.8 Ų90.861%0.61146%0.462SS*.  trans-128118.5173.7-68.179.4000109.9N556 N560N556-H558 PolarHBondContact O-N 3.39Å; N556-H558 PolarHBondContact O-ND1 3.41Å; H558-N560 PolarHBondContact O-N 2.66Å; H558-N560 VanDerWaalsContact O-N 3.17Å
559P57.3Low59Low59 Ų5994.1 Ų94.138%0.38348%0.479SS..SBendtrans-75.7102.8174.727.4-28.4000109.4R521 Y557R521-P559 WeakPolarHBondContact O-CB 3.46Å; Y557-P559 HydrophobicContact CE1-CB 4.26Å; Y557-P559 HydrophobicContact CE1-CG 4.44Å
560N54.7Low56.8Low91 Ų91100.1 Ų100.149%0.48751%0.512SS..  trans94.4126.4-177.4-67.7-37.6000117.4H558 N562H558-N560 PolarHBondContact O-N 2.66Å; H558-N560 VanDerWaalsContact O-N 3.17Å; N560-N562 PolarHBondContact O-N 3.29Å
561E49Very low54.8Low151 Ų151106 Ų10671%0.70655%0.553SS**THydrogen-bonded Turntrans-70.6-1.6172-70.2177.2174.700113.9R552R552-E561 IonicContact NH1-OE1 2.64Å; R552-E561 PolarHBondContact NH1-OE1 3.35Å; R552-E561 IonicContact NH2-OE1 3.45Å
562N41.9Very low52.8Low150 Ų150107.6 Ų107.680%0.80257%0.57SS**THydrogen-bonded Turntrans-108.910.6-167.4-81.1-7.4000116.9N560N560-N562 PolarHBondContact O-N 3.29Å
563L39.8Very low51.2Low148 Ų148109.4 Ų109.478%0.77559%0.587SS**  trans-112.344.9172.2-76158.1000110.9E565L563-E565 PolarHBondContact O-N 3.35Å; L563-E565 VanDerWaalsContact O-N 3.07Å
564M42.4Very low49.9Very low176 Ų176113.7 Ų113.787%0.86761%0.609SS**  trans-77.478160.1-66.9-163.789.700108.4
565E43.5Very low49.2Very low174 Ų174117.1 Ų117.181%0.81363%0.627SS**SBendtrans164.3117.4149.9-94.2170.1-169.200108.8L563L563-E565 PolarHBondContact O-N 3.35Å; L563-E565 VanDerWaalsContact O-N 3.07Å
566K40.8Very low48.9Very low196 Ų196120.5 Ų120.585%0.85264%0.64SS**SBendtrans9166.8175.6-53.6175.5178.4175.30117.1
567V35.6Very low49Very low137 Ų137117 Ų11783%0.8362%0.622SS**  -147.491.8119.8-174.10000107.4
568S43.8Very low49.2Very low105 Ų105118.8 Ų118.873%0.73463%0.633SS**  trans-87.4136.6159.5-60.70000107.3
569L40.8Very low49.6Very low160 Ų160112.9 Ų112.984%0.83861%0.607SS**SBendtrans83.271.8178.6-60.5117.5000116.7
570D33.9Very low50.2Low141 Ų141113.8 Ų113.875%0.75461%0.606SS**  -165.995128.1-99.6-18.3000109.5S572D570-S572 PolarHBondContact O-N 3.12Å; D570-S572 VanDerWaalsContact O-N 3.09Å
571S39Very low51.3Low124 Ų124114 Ų11487%0.86760%0.604SS**THydrogen-bonded Turntrans-80.127.2-179.171.20000113.3
572S40.4Very low52.7Low80 Ų80106.8 Ų106.856%0.55957%0.57SS**THydrogen-bonded Turntrans-113.4-2.9-163.143.80000115.5D570D570-S572 PolarHBondContact O-N 3.12Å; D570-S572 VanDerWaalsContact O-N 3.09Å
573L44.1Very low54.3Low148 Ų148100.9 Ų100.978%0.77554%0.539SS*.  trans-140.252.8178.1-68.5170.4000113.3N575L573-N575 PolarHBondContact O-N 3.25Å
574L54.3Low56.3Low90 Ų9097.5 Ų97.547%0.47153%0.525SS..  trans-72.993.9163.3-92.7151.3000108.5N556 K576N556-L574 HydrophobicContact CB-CD2 4.22Å; N556-L574 VanDerWaalsContact OD1-CD2 3.3Å; N556-L574 WeakPolarHBondContact OD1-CD2 3.49Å; L574-K576 PolarHBondContact O-N 3.09Å
575N57.6Low58.1Low80 Ų8089.8 Ų89.843%0.42849%0.488SS..  trans-64.2115.6173-73.6-11000109.2F524 L573F524-N575 HydrophobicContact CB-CB 4.21Å; F524-N575 HydrophobicContact CD1-CB 3.52Å; F524-N575 HydrophobicContact CD2-CB 3.8Å; F524-N575 WeakPolarHBondContact CD2-O 3.47Å; F524-N575 HydrophobicContact CE1-CB 3.75Å; F524-N575 VanDerWaalsContact CE2-C 3.45Å; F524-N575 HydrophobicContact CE2-CB 3.99Å; F524-N575 WeakPolarHBondContact CE2-O 3.48Å; F524-N575 HydrophobicContact CG-CB 3.54Å; F524-N575 HydrophobicContact CZ-CB 3.96Å; L573-N575 PolarHBondContact O-N 3.25Å
576K66.3Low59.8Low88 Ų8881.6 Ų81.638%0.38345%0.449SS..  trans-115.2127.4177.4-69.8178.4175.2179.30108.8T555 L574 D604T555-K576 VanDerWaalsContact O-CE 3.25Å; T555-K576 WeakPolarHBondContact O-CE 3.35Å; T555-K576 WeakPolarHBondContact O-CG 3.15Å; L574-K576 PolarHBondContact O-N 3.09Å; K576-D604 IonicContact NZ-OD2 3.96Å; K576-D604 PolarHBondContact NZ-OD2 2.91Å
577A70Confident61Low6 Ų676 Ų765%0.0544%0.439CS..  trans-80.8145.7-179.200000109.9F524 L553 C554 S579 F582F524-A577 HydrophobicContact CE2-CB 3.81Å; F524-A577 HydrophobicContact CZ-CB 3.58Å; L553-A577 HydrophobicContact CD2-CB 4.23Å; L553-A577 HydrophobicContact CG-CB 3.9Å; L553-A577 PolarHBondContact O-N 2.93Å; C554-A577 PolarHBondContact SG-O 3.36Å; A577-S579 PolarHBondContact O-N 3.09Å; A577-F582 HydrophobicContact CB-CE2 3.64Å; A577-F582 HydrophobicContact CB-CZ 4.24Å
578N72.9Confident62.7Low59 Ų5976.3 Ų76.332%0.31644%0.437SS..  trans-64.4110.1179.8-174.31.3000109.6E580 E581 F582 S608N578-E580 PolarHBondContact O-N 3.33Å; N578-E580 WeakPolarHBondContact OD1-CB 3.3Å; N578-E580 PolarHBondContact OD1-N 3.25Å; N578-E580 VanDerWaalsContact OD1-N 3.15Å; N578-E581 HydrophobicContact CB-CG 4.2Å; N578-E581 PolarHBondContact O-N 2.8Å; N578-F582 WeakPolarHBondContact O-CD2 3.31Å; N578-S608 WeakPolarHBondContact OD1-CB 3.25Å; N578-S608 PolarHBondContact OD1-OG 2.89Å
579S72.9Confident64.3Low8 Ų873.9 Ų73.96%0.05642%0.415CS..Hα-helixtrans-60.9-24.7-178.638.40000113A577 E581 F582 V611A577-S579 PolarHBondContact O-N 3.09Å; S579-E581 PolarHBondContact O-N 3.5Å; S579-F582 PolarHBondContact O-N 3.1Å; S579-V611 VanDerWaalsContact OG-CG2 3.27Å; S579-V611 WeakPolarHBondContact OG-CG2 3.42Å
580E71.3Confident65.8Low78 Ų7870.8 Ų70.836%0.36440%0.404SS..Hα-helixtrans-64.6-37.4177-172.4175.2179.900112.6N578 F582 I583N578-E580 PolarHBondContact O-N 3.33Å; N578-E580 WeakPolarHBondContact OD1-CB 3.3Å; N578-E580 PolarHBondContact OD1-N 3.25Å; N578-E580 VanDerWaalsContact OD1-N 3.15Å; E580-F582 PolarHBondContact O-N 3.11Å; E580-I583 HydrophobicContact CG-CD1 4.36Å; E580-I583 WeakPolarHBondContact O-CB 3.4Å; E580-I583 WeakPolarHBondContact O-CG1 3.47Å; E580-I583 PolarHBondContact O-N 2.98Å
581E75.9Confident67.8Low95 Ų9574.4 Ų74.444%0.44441%0.408SS..Hα-helixtrans-71.2-19.3-175.2-64.8-175.2-153.800113.2K532 N578 S579 P584K532-E581 WeakPolarHBondContact CE-OE2 3.41Å; K532-E581 IonicContact NZ-OE2 3.52Å; K532-E581 PolarHBondContact NZ-OE2 3.34Å; N578-E581 HydrophobicContact CB-CG 4.2Å; N578-E581 PolarHBondContact O-N 2.8Å; S579-E581 PolarHBondContact O-N 3.5Å; E581-P584 WeakPolarHBondContact O-CD 3.31Å
582F79Confident69.7Low0 Ų071.4 Ų71.40%038%0.38CS..Hα-helixtrans-94-10.3178.8-60.9-69.7000113.5E528 M531 K532 L550 L553 A577 N578 S579 E580 P584 I585 F586E528-F582 HydrophobicContact CB-CZ 4.43Å; E528-F582 HydrophobicContact CG-CZ 3.95Å; M531-F582 HydrophobicContact CB-CE1 3.98Å; K532-F582 HydrophobicContact CG-CE1 3.89Å; L550-F582 HydrophobicContact CD2-CB 4.2Å; L550-F582 HydrophobicContact CD2-CD1 3.65Å; L550-F582 HydrophobicContact CD2-CD2 4.36Å; L550-F582 HydrophobicContact CD2-CE1 4.01Å; L550-F582 HydrophobicContact CD2-CG 3.81Å; L550-F582 HydrophobicContact CD2-CZ 4.49Å; L553-F582 HydrophobicContact CD2-CE1 4.37Å; L553-F582 HydrophobicContact CD2-CE2 4.06Å; L553-F582 HydrophobicContact CD2-CZ 3.63Å; A577-F582 HydrophobicContact CB-CE2 3.64Å; A577-F582 HydrophobicContact CB-CZ 4.24Å; N578-F582 WeakPolarHBondContact O-CD2 3.31Å; S579-F582 PolarHBondContact O-N 3.1Å; E580-F582 PolarHBondContact O-N 3.11Å; F582-P584 VanDerWaalsContact C-CD 3.41Å; F582-P584 VanDerWaalsContact C-N 3.31Å; F582-I585 HydrophobicContact CB-CD1 4.48Å; F582-I585 HydrophobicContact CD1-CD1 3.66Å; F582-I585 HydrophobicContact CE1-CD1 4.47Å; F582-I585 VanDerWaalsContact O-CB 3.29Å; F582-I585 WeakPolarHBondContact O-CB 3.47Å; F582-I585 PolarHBondContact O-N 3.19Å; F582-F586 VanDerWaalsContact O-CD2 3.31Å; F582-F586 WeakPolarHBondContact O-CD2 3.29Å
583I76.8Confident71.5Confident26 Ų2668.6 Ų68.613%0.13336%0.359CS..G310 helixtrans-51.8-43.6176-63.5175.8000112E580 I585 F586 L593 L597 T614E580-I583 HydrophobicContact CG-CD1 4.36Å; E580-I583 WeakPolarHBondContact O-CB 3.4Å; E580-I583 WeakPolarHBondContact O-CG1 3.47Å; E580-I583 PolarHBondContact O-N 2.98Å; I583-I585 PolarHBondContact O-N 3.02Å; I583-I585 VanDerWaalsContact O-N 3.11Å; I583-F586 PolarHBondContact O-N 3.5Å; I583-F586 VanDerWaalsContact O-N 3.1Å; I583-L593 HydrophobicContact CB-CD1 4.48Å; I583-L593 HydrophobicContact CG1-CD1 4.39Å; I583-L593 HydrophobicContact CG2-CD1 4.09Å; I583-L593 HydrophobicContact CG2-CD2 4.38Å; I583-L597 HydrophobicContact CD1-CD2 4.21Å; I583-L597 HydrophobicContact CG1-CD2 4.33Å; I583-T614 HydrophobicContact CD1-CG2 4.42Å; I583-T614 HydrophobicContact CG2-CG2 4.46Å
584P80.2Confident73.1Confident76 Ų7665.3 Ų65.349%0.49434%0.338SS..G310 helixtrans-64.4-16.7178.8-22.734.9000115E581 F582 F586E581-P584 WeakPolarHBondContact O-CD 3.31Å; F582-P584 VanDerWaalsContact C-CD 3.41Å; F582-P584 VanDerWaalsContact C-N 3.31Å; P584-F586 VanDerWaalsContact C-N 3.28Å
585I80.6Confident74.2Confident15 Ų1562.6 Ų62.68%0.07733%0.329CS..G310 helixtrans-71.4-29.4177-58.4-172.2000110.6M531 M539 F582 I583 A587M531-I585 WeakPolarHBondContact O-CD1 3.48Å; M539-I585 HydrophobicContact CB-CG2 4.05Å; M539-I585 HydrophobicContact CE-CG2 4.08Å; M539-I585 HydrophobicContact CG-CG2 4.41Å; F582-I585 HydrophobicContact CB-CD1 4.48Å; F582-I585 HydrophobicContact CD1-CD1 3.66Å; F582-I585 HydrophobicContact CE1-CD1 4.47Å; F582-I585 VanDerWaalsContact O-CB 3.29Å; F582-I585 WeakPolarHBondContact O-CB 3.47Å; F582-I585 PolarHBondContact O-N 3.19Å; I583-I585 PolarHBondContact O-N 3.02Å; I583-I585 VanDerWaalsContact O-N 3.11Å; I585-A587 VanDerWaalsContact C-N 3.34Å; I585-A587 PolarHBondContact O-N 2.9Å
586F78.7Confident75.3Confident1 Ų158.8 Ų58.80%0.00431%0.308CS..G310 helixtrans-89.59.8-179.2-59.9-89.9000113.9M539 T547 L550 F582 I583 P584 N588 N589 E592 L593 F596M539-F586 HydrophobicContact CE-CD1 3.64Å; M539-F586 HydrophobicContact CE-CE1 3.32Å; M539-F586 HydrophobicContact CE-CG 4.38Å; M539-F586 HydrophobicContact CE-CZ 3.83Å; M539-F586 HydrophobicContact SD-CD1 4.31Å; M539-F586 HydrophobicContact SD-CE1 4.31Å; T547-F586 HydrophobicContact CG2-CE1 4.06Å; T547-F586 HydrophobicContact CG2-CZ 4.5Å; L550-F586 HydrophobicContact CB-CZ 4.34Å; L550-F586 HydrophobicContact CD1-CE1 4.3Å; L550-F586 HydrophobicContact CD1-CE2 3.67Å; L550-F586 HydrophobicContact CD1-CZ 3.41Å; L550-F586 VanDerWaalsContact CD1-CZ 3.41Å; F582-F586 VanDerWaalsContact O-CD2 3.31Å; F582-F586 WeakPolarHBondContact O-CD2 3.29Å; I583-F586 PolarHBondContact O-N 3.5Å; I583-F586 VanDerWaalsContact O-N 3.1Å; P584-F586 VanDerWaalsContact C-N 3.28Å; F586-N588 PolarHBondContact O-N 3.24Å; F586-N589 CarbonylContact O-C 3.49Å; F586-N589 PolarHBondContact O-N 3.48Å; F586-E592 HydrophobicContact CD1-CB 3.89Å; F586-E592 HydrophobicContact CE1-CB 4.05Å; F586-L593 HydrophobicContact CB-CB 3.76Å; F586-L593 HydrophobicContact CB-CD1 4Å; F586-L593 HydrophobicContact CB-CG 4.29Å; F586-L593 HydrophobicContact CD2-CD1 4.02Å; F586-L593 HydrophobicContact CG-CB 4.22Å; F586-L593 HydrophobicContact CG-CD1 4.15Å; F586-F596 HydrophobicContact CE1-CB 4.47Å; F586-F596 HydrophobicContact CE2-CB 4.47Å; F586-F596 HydrophobicContact CE2-CD1 4.01Å; F586-F596 HydrophobicContact CE2-CE1 4.37Å; F586-F596 HydrophobicContact CE2-CG 4.08Å; F586-F596 HydrophobicContact CZ-CB 4.07Å; F586-F596 HydrophobicContact CZ-CD1 4.36Å; F586-F596 HydrophobicContact CZ-CD2 4.22Å; F586-F596 AromaticContact CZ-CG 3.96Å; F586-F596 HydrophobicContact CZ-CG 3.96Å
587A67.4Low75.9Confident78 Ų7854.6 Ų54.665%0.64529%0.29SS*.THydrogen-bonded Turntrans-51.2-28-171.500000115.2I585I585-A587 VanDerWaalsContact C-N 3.34Å; I585-A587 PolarHBondContact O-N 2.9Å
588N71.1Confident76.2Confident145 Ų14557.3 Ų57.378%0.77530%0.301SS*.THydrogen-bonded Turntrans-103.55.1178.7-65.5-18.6000114.1F586F586-N588 PolarHBondContact O-N 3.24Å
589N76.2Confident76.5Confident54 Ų5457.1 Ų57.129%0.28930%0.299SS..  trans-136.174.4-173.7-67.8-59000111.5F586 R591 E592 L593F586-N589 CarbonylContact O-C 3.49Å; F586-N589 PolarHBondContact O-N 3.48Å; N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 PolarHBondContact O-N 2.78Å; N589-E592 HydrophobicContact CB-CB 4.27Å; N589-E592 HydrophobicContact CB-CG 4.38Å; N589-E592 PolarHBondContact O-N 2.61Å; N589-L593 PolarHBondContact O-N 2.79Å; N589-L593 VanDerWaalsContact O-N 3.09Å
590P73.3Confident76.5Confident94 Ų9456.9 Ų56.961%0.6130%0.297SS*.Hα-helixtrans-66-25.5-175.226.1-34.9000113.6K594P590-K594 WeakPolarHBondContact O-CB 3.4Å; P590-K594 PolarHBondContact O-N 2.99Å
591R76.6Confident76.7Confident218 Ų21855.2 Ų55.282%0.82329%0.29SS*.Hα-helixtrans-68.9-47.5176.7-67.8-176.4178.7-176.4-0.6112N589 L593 K594 A595N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 PolarHBondContact O-N 2.78Å; R591-L593 VanDerWaalsContact C-N 3.32Å; R591-K594 PolarHBondContact O-N 2.92Å; R591-A595 WeakPolarHBondContact O-CB 3.39Å; R591-A595 PolarHBondContact O-N 3.47Å
592E77.2Confident76.6Confident60 Ų6058.1 Ų58.128%0.2830%0.304SS..Hα-helixtrans-68.3-33.9176.9-61-52.7136.800111.3T547 F586 N589 A595 F596T547-E592 HydrophobicContact CG2-CB 4.33Å; F586-E592 HydrophobicContact CD1-CB 3.89Å; F586-E592 HydrophobicContact CE1-CB 4.05Å; N589-E592 HydrophobicContact CB-CB 4.27Å; N589-E592 HydrophobicContact CB-CG 4.38Å; N589-E592 PolarHBondContact O-N 2.61Å; E592-A595 PolarHBondContact O-N 3.27Å; E592-F596 VanDerWaalsContact O-CB 3.28Å; E592-F596 WeakPolarHBondContact O-CB 3.02Å; E592-F596 PolarHBondContact O-N 3.27Å
593L80Confident76.2Confident22 Ų2261 Ų6112%0.11532%0.321CS..Hα-helixtrans-62.1-48172.9-177.957.2000111.7I583 F586 N589 R591 A595 F596 L597I583-L593 HydrophobicContact CB-CD1 4.48Å; I583-L593 HydrophobicContact CG1-CD1 4.39Å; I583-L593 HydrophobicContact CG2-CD1 4.09Å; I583-L593 HydrophobicContact CG2-CD2 4.38Å; F586-L593 HydrophobicContact CB-CB 3.76Å; F586-L593 HydrophobicContact CB-CD1 4Å; F586-L593 HydrophobicContact CB-CG 4.29Å; F586-L593 HydrophobicContact CD2-CD1 4.02Å; F586-L593 HydrophobicContact CG-CB 4.22Å; F586-L593 HydrophobicContact CG-CD1 4.15Å; N589-L593 PolarHBondContact O-N 2.79Å; N589-L593 VanDerWaalsContact O-N 3.09Å; R591-L593 VanDerWaalsContact C-N 3.32Å; L593-A595 PolarHBondContact O-N 3Å; L593-F596 WeakPolarHBondContact O-CB 2.94Å; L593-F596 PolarHBondContact O-N 3.27Å; L593-L597 HydrophobicContact CD1-CD1 3.94Å; L593-L597 HydrophobicContact CD1-CD2 4.39Å; L593-L597 HydrophobicContact CD1-CG 3.99Å; L593-L597 HydrophobicContact CG-CD1 3.92Å; L593-L597 HydrophobicContact CG-CG 4.36Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.46Å
594K76.7Confident75.6Confident79 Ų7961.5 Ų61.534%0.34332%0.324SS..Hα-helixtrans-60.1-47.8177-177170.5-179.4165.50111.2P590 R591 F596 L597 E598 D622P590-K594 WeakPolarHBondContact O-CB 3.4Å; P590-K594 PolarHBondContact O-N 2.99Å; R591-K594 PolarHBondContact O-N 2.92Å; K594-F596 PolarHBondContact O-N 3.4Å; K594-L597 PolarHBondContact O-N 3.06Å; K594-E598 WeakPolarHBondContact CE-OE1 3.42Å; K594-E598 HydrophobicContact CG-CG 4.31Å; K594-E598 WeakPolarHBondContact O-CB 3.34Å; K594-E598 WeakPolarHBondContact O-CG 3.27Å; K594-E598 PolarHBondContact O-N 3.17Å; K594-D622 IonicContact NZ-OD2 3.44Å
595A77.9Confident74.7Confident33 Ų3362.1 Ų62.127%0.27333%0.328SS..Hα-helixtrans-65-24.517800000113.5K551 R591 E592 L593 H599K551-A595 WeakPolarHBondContact CE-O 3.29Å; K551-A595 PolarHBondContact NZ-O 3.31Å; K551-A595 VanDerWaalsContact NZ-O 3.15Å; R591-A595 WeakPolarHBondContact O-CB 3.39Å; R591-A595 PolarHBondContact O-N 3.47Å; E592-A595 PolarHBondContact O-N 3.27Å; L593-A595 PolarHBondContact O-N 3Å; A595-H599 WeakPolarHBondContact O-CB 3.42Å
596F80.4Confident73.7Confident0 Ų072 Ų720%036%0.364CS..Hα-helixtrans-76.3-51.9171.8173.8-104.2000111.2L550 K551 C554 F586 E592 L593 K594 E598 H599 M600L550-F596 HydrophobicContact CB-CD2 4.44Å; L550-F596 HydrophobicContact CB-CE2 4.14Å; K551-F596 HydrophobicContact CG-CD2 4.04Å; C554-F596 HydrophobicContact CB-CE2 4.28Å; C554-F596 HydrophobicContact CB-CZ 4.28Å; F586-F596 HydrophobicContact CE1-CB 4.47Å; F586-F596 HydrophobicContact CE2-CB 4.47Å; F586-F596 HydrophobicContact CE2-CD1 4.01Å; F586-F596 HydrophobicContact CE2-CE1 4.37Å; F586-F596 HydrophobicContact CE2-CG 4.08Å; F586-F596 HydrophobicContact CZ-CB 4.07Å; F586-F596 HydrophobicContact CZ-CD1 4.36Å; F586-F596 HydrophobicContact CZ-CD2 4.22Å; F586-F596 AromaticContact CZ-CG 3.96Å; F586-F596 HydrophobicContact CZ-CG 3.96Å; E592-F596 VanDerWaalsContact O-CB 3.28Å; E592-F596 WeakPolarHBondContact O-CB 3.02Å; E592-F596 PolarHBondContact O-N 3.27Å; L593-F596 WeakPolarHBondContact O-CB 2.94Å; L593-F596 PolarHBondContact O-N 3.27Å; K594-F596 PolarHBondContact O-N 3.4Å; F596-E598 PolarHBondContact O-N 3.28Å; F596-H599 PolarHBondContact O-N 3.21Å; F596-M600 HydrophobicContact CD1-CG 4.49Å; F596-M600 HydrophobicContact CD2-CE 4.24Å; F596-M600 HydrophobicContact CE1-CG 4.16Å; F596-M600 HydrophobicContact CE2-CE 4.02Å; F596-M600 HydrophobicContact CE2-CG 4.19Å; F596-M600 HydrophobicContact CE2-SD 4Å; F596-M600 HydrophobicContact CZ-CG 4.01Å; F596-M600 HydrophobicContact CZ-SD 4.1Å; F596-M600 WeakPolarHBondContact O-CG 3.45Å; F596-M600 PolarHBondContact O-N 2.91Å
597L77.8Confident73Confident0 Ų072.6 Ų72.60%037%0.369CS..Hα-helixtrans-64.1-40-177.9-63.3172.3000112.5I583 L593 K594 M600 I601 V611 T614 L615 L618I583-L597 HydrophobicContact CD1-CD2 4.21Å; I583-L597 HydrophobicContact CG1-CD2 4.33Å; L593-L597 HydrophobicContact CD1-CD1 3.94Å; L593-L597 HydrophobicContact CD1-CD2 4.39Å; L593-L597 HydrophobicContact CD1-CG 3.99Å; L593-L597 HydrophobicContact CG-CD1 3.92Å; L593-L597 HydrophobicContact CG-CG 4.36Å; L593-L597 VanDerWaalsContact O-CG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.46Å; K594-L597 PolarHBondContact O-N 3.06Å; L597-M600 PolarHBondContact O-N 3.5Å; L597-I601 PolarHBondContact O-N 3.04Å; L597-V611 HydrophobicContact CD2-CB 4.31Å; L597-V611 HydrophobicContact CD2-CG1 3.82Å; L597-V611 HydrophobicContact CD2-CG2 4.1Å; L597-T614 HydrophobicContact CD1-CG2 4.28Å; L597-L615 HydrophobicContact CB-CD1 4.49Å; L597-L618 HydrophobicContact CD1-CD1 3.85Å
598E78.2Confident73Confident62 Ų6270.3 Ų70.329%0.2935%0.348SS..Hα-helixtrans-62.9-43.9175.7-72.7174.6164.200111.2K594 F596 M600 I601 E602 R619K594-E598 WeakPolarHBondContact CE-OE1 3.42Å; K594-E598 HydrophobicContact CG-CG 4.31Å; K594-E598 WeakPolarHBondContact O-CB 3.34Å; K594-E598 WeakPolarHBondContact O-CG 3.27Å; K594-E598 PolarHBondContact O-N 3.17Å; F596-E598 PolarHBondContact O-N 3.28Å; E598-M600 VanDerWaalsContact C-N 3.32Å; E598-M600 PolarHBondContact O-N 3.13Å; E598-I601 PolarHBondContact O-N 3.19Å; E598-E602 WeakPolarHBondContact O-CG 3.45Å; E598-E602 PolarHBondContact O-N 3.06Å; E598-R619 IonicContact OE1-CZ 2.72Å; E598-R619 IonicContact OE1-NH2 3.27Å; E598-R619 PolarHBondContact OE1-NH2 2.68Å
599H78.4Confident72.9Confident55 Ų5568.2 Ų68.226%0.25533%0.334SS..Hα-helixtrans-64.6-34.7176.5-172.761.8000112.6K551 A595 F596 V603K551-H599 HydrophobicContact CD-CB 4.46Å; A595-H599 WeakPolarHBondContact O-CB 3.42Å; F596-H599 PolarHBondContact O-N 3.21Å; H599-V603 WeakPolarHBondContact O-CB 3.47Å; H599-V603 VanDerWaalsContact O-CG2 3.27Å; H599-V603 WeakPolarHBondContact O-CG2 3.27Å; H599-V603 PolarHBondContact O-N 3.25Å; H599-V603 VanDerWaalsContact O-N 3.13Å
600M73.7Confident72.4Confident4 Ų465.9 Ų65.92%0.0232%0.322CS..Hα-helixtrans-65.7-40.1176.9-67.9-52.794.200112.1C554 T555 F596 L597 E598 D604 S607 V611C554-M600 HydrophobicContact CB-CE 4.21Å; C554-M600 HydrophobicContact CB-SD 3.29Å; C554-M600 WeakPolarHBondContact CB-SD 3.42Å; T555-M600 HydrophobicContact CG2-CE 3.51Å; T555-M600 HydrophobicContact CG2-SD 4.19Å; F596-M600 HydrophobicContact CD1-CG 4.49Å; F596-M600 HydrophobicContact CD2-CE 4.24Å; F596-M600 HydrophobicContact CE1-CG 4.16Å; F596-M600 HydrophobicContact CE2-CE 4.02Å; F596-M600 HydrophobicContact CE2-CG 4.19Å; F596-M600 HydrophobicContact CE2-SD 4Å; F596-M600 HydrophobicContact CZ-CG 4.01Å; F596-M600 HydrophobicContact CZ-SD 4.1Å; F596-M600 WeakPolarHBondContact O-CG 3.45Å; F596-M600 PolarHBondContact O-N 2.91Å; L597-M600 PolarHBondContact O-N 3.5Å; E598-M600 VanDerWaalsContact C-N 3.32Å; E598-M600 PolarHBondContact O-N 3.13Å; M600-D604 PolarHBondContact O-N 3.2Å; M600-S607 PolarHBondContact O-OG 3.19Å; M600-V611 HydrophobicContact CB-CG1 4.45Å
601I73.6Confident72.4Confident42 Ų4261.4 Ų61.422%0.21529%0.293CS..Hα-helixtrans-73.3-36.3179.2-65-177.1000111.9L597 E598 V603 V611 Y612 L615 L642L597-I601 PolarHBondContact O-N 3.04Å; E598-I601 PolarHBondContact O-N 3.19Å; I601-V603 VanDerWaalsContact C-N 3.34Å; I601-V611 HydrophobicContact CD1-CG1 4.49Å; I601-V611 HydrophobicContact CG1-CG1 4.2Å; I601-Y612 HydrophobicContact CD1-CD1 4.13Å; I601-Y612 HydrophobicContact CD1-CE1 3.94Å; I601-Y612 HydrophobicContact CG1-CE1 4.24Å; I601-Y612 HydrophobicContact CG2-CE1 4.4Å; I601-L615 HydrophobicContact CD1-CD2 3.12Å; I601-L615 HydrophobicContact CD1-CG 4.42Å; I601-L615 HydrophobicContact CG1-CD2 4.44Å; I601-L642 HydrophobicContact CD1-CD2 4.44Å
602E75Confident72.1Confident157 Ų15751.5 Ų51.573%0.73426%0.256SS*.Hα-helixtrans-63.9-39.4175.5-76178.7174.600112.4E598E598-E602 WeakPolarHBondContact O-CG 3.45Å; E598-E602 PolarHBondContact O-N 3.06Å
603V69.9Low72Confident61 Ų6149.2 Ų49.237%0.3725%0.245SC..Hα-helixtrans-88.4-34.8-174.81790000112.4T555 H599 I601T555-V603 HydrophobicContact CG2-CB 3.84Å; T555-V603 HydrophobicContact CG2-CG1 3.59Å; T555-V603 HydrophobicContact CG2-CG2 4.1Å; H599-V603 WeakPolarHBondContact O-CB 3.47Å; H599-V603 VanDerWaalsContact O-CG2 3.27Å; H599-V603 WeakPolarHBondContact O-CG2 3.27Å; H599-V603 PolarHBondContact O-N 3.25Å; H599-V603 VanDerWaalsContact O-N 3.13Å; I601-V603 VanDerWaalsContact C-N 3.34Å
604D63.9Low71.7Confident36 Ų3649.8 Ų49.819%0.19325%0.25CC..  trans-135.2100.1179.9-162.3-13.9000112.7K576 M600 R606 S607K576-D604 IonicContact NZ-OD2 3.96Å; K576-D604 PolarHBondContact NZ-OD2 2.91Å; M600-D604 PolarHBondContact O-N 3.2Å; D604-R606 PolarHBondContact O-N 3.15Å; D604-R606 WeakPolarHBondContact OD1-CA 3.37Å; D604-R606 WeakPolarHBondContact OD1-CB 3.16Å; D604-R606 PolarHBondContact OD1-N 2.72Å; D604-S607 WeakPolarHBondContact O-CB 3.27Å; D604-S607 PolarHBondContact O-N 2.79Å; D604-S607 VanDerWaalsContact O-N 3.1Å; D604-S607 PolarHBondContact O-OG 3.1Å
605P62.6Low71.6Confident89 Ų8946.5 Ų46.558%0.57824%0.236SC*.THydrogen-bonded Turntrans-64.8-0.5172.5-20.532.6000114.6Y612 N647P605-Y612 PolarHBondContact O-OH 2.98Å; P605-N647 PolarHBondContact O-ND2 2.88Å
606R58.7Low71.4Confident222 Ų22244.9 Ų44.984%0.83822%0.223SC*.THydrogen-bonded Turntrans-111.619.7173.5-61.4-176.7176.7179.9-0.3112.7D604D604-R606 PolarHBondContact O-N 3.15Å; D604-R606 WeakPolarHBondContact OD1-CA 3.37Å; D604-R606 WeakPolarHBondContact OD1-CB 3.16Å; D604-R606 PolarHBondContact OD1-N 2.72Å
607S64.9Low71.2Confident14 Ų1449.7 Ų49.710%0.09825%0.245CC..  trans-51.9155.3176.1-71.10000112.6M600 D604 Y612M600-S607 PolarHBondContact O-OG 3.19Å; D604-S607 WeakPolarHBondContact O-CB 3.27Å; D604-S607 PolarHBondContact O-N 2.79Å; D604-S607 VanDerWaalsContact O-N 3.1Å; D604-S607 PolarHBondContact O-OG 3.1Å; S607-Y612 WeakPolarHBondContact O-CE2 3.46Å
608S65.9Low71.1Confident30 Ų3052.2 Ų52.221%0.2126%0.258CS..  trans-58.3145.1-175.954.20000112.2N578 G610 V611N578-S608 WeakPolarHBondContact OD1-CB 3.25Å; N578-S608 PolarHBondContact OD1-OG 2.89Å; S608-G610 PolarHBondContact O-N 3.03Å; S608-G610 VanDerWaalsContact O-N 3.13Å; S608-V611 WeakPolarHBondContact O-CB 3.45Å; S608-V611 PolarHBondContact O-N 2.75Å
609Q69.5Low70.9Confident101 Ų10151.5 Ų51.547%0.47225%0.253SS..Hα-helixtrans-59.7-30.4-174-50.2180-51.700111.6V611 Y612 D613 N647 V649Q609-V611 VanDerWaalsContact C-N 3.31Å; Q609-V611 PolarHBondContact O-N 2.93Å; Q609-Y612 CarbonylContact O-C 3.6Å; Q609-Y612 PolarHBondContact O-N 3.34Å; Q609-Y612 VanDerWaalsContact O-N 3.17Å; Q609-D613 WeakPolarHBondContact O-CB 3.44Å; Q609-D613 PolarHBondContact O-N 3.47Å; Q609-N647 WeakPolarHBondContact CB-O 3.36Å; Q609-N647 VanDerWaalsContact CG-O 3.27Å; Q609-N647 WeakPolarHBondContact CG-O 3.27Å; Q609-V649 HydrophobicContact CB-CG2 3.71Å; Q609-V649 HydrophobicContact CG-CG2 4.28Å
610G66.9Low70.6Confident5 Ų549 Ų495%0.05224%0.242CC..Hα-helixtrans-63.9-28.2173.800000114.8S608 T614S608-G610 PolarHBondContact O-N 3.03Å; S608-G610 VanDerWaalsContact O-N 3.13Å; G610-T614 VanDerWaalsContact O-CB 3.24Å; G610-T614 WeakPolarHBondContact O-CB 3.29Å; G610-T614 PolarHBondContact O-N 3.47Å; G610-T614 PolarHBondContact O-OG1 3.28Å
611V72.6Confident70.6Confident0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-68.9-43.2171.5168.70000110.5S579 L597 M600 I601 S608 Q609 L615S579-V611 VanDerWaalsContact OG-CG2 3.27Å; S579-V611 WeakPolarHBondContact OG-CG2 3.42Å; L597-V611 HydrophobicContact CD2-CB 4.31Å; L597-V611 HydrophobicContact CD2-CG1 3.82Å; L597-V611 HydrophobicContact CD2-CG2 4.1Å; M600-V611 HydrophobicContact CB-CG1 4.45Å; I601-V611 HydrophobicContact CD1-CG1 4.49Å; I601-V611 HydrophobicContact CG1-CG1 4.2Å; S608-V611 WeakPolarHBondContact O-CB 3.45Å; S608-V611 PolarHBondContact O-N 2.75Å; Q609-V611 VanDerWaalsContact C-N 3.31Å; Q609-V611 PolarHBondContact O-N 2.93Å; V611-L615 WeakPolarHBondContact O-CB 3.16Å; V611-L615 PolarHBondContact O-N 3.45Å
612Y70.9Confident70.5Confident10 Ų1054.5 Ų54.54%0.03927%0.269CS..Hα-helixtrans-66.9-41.9175.4-73.8-85.6000111.7I601 P605 S607 Q609 L616 L642 N647I601-Y612 HydrophobicContact CD1-CD1 4.13Å; I601-Y612 HydrophobicContact CD1-CE1 3.94Å; I601-Y612 HydrophobicContact CG1-CE1 4.24Å; I601-Y612 HydrophobicContact CG2-CE1 4.4Å; P605-Y612 PolarHBondContact O-OH 2.98Å; S607-Y612 WeakPolarHBondContact O-CE2 3.46Å; Q609-Y612 CarbonylContact O-C 3.6Å; Q609-Y612 PolarHBondContact O-N 3.34Å; Q609-Y612 VanDerWaalsContact O-N 3.17Å; Y612-L616 WeakPolarHBondContact O-CA 3.41Å; Y612-L616 WeakPolarHBondContact O-CB 3.5Å; Y612-L616 PolarHBondContact O-N 2.79Å; Y612-L642 HydrophobicContact CD1-CD2 3.67Å; Y612-L642 HydrophobicContact CE1-CD2 4.09Å; Y612-N647 HydrophobicContact CD1-CB 4.39Å; Y612-N647 HydrophobicContact CD2-CB 3.73Å; Y612-N647 HydrophobicContact CE1-CB 4.38Å; Y612-N647 HydrophobicContact CE2-CB 3.68Å; Y612-N647 HydrophobicContact CG-CB 4.1Å; Y612-N647 PolarHBondContact OH-ND2 3.18Å
613D73.4Confident70.5Confident11 Ų1149 Ų496%0.05924%0.241CC..Hα-helixtrans-65.9-45.5178.1-67.4-15.9000111.1Q609 L616 E617 K652Q609-D613 WeakPolarHBondContact O-CB 3.44Å; Q609-D613 PolarHBondContact O-N 3.47Å; D613-L616 PolarHBondContact O-N 3.33Å; D613-E617 WeakPolarHBondContact O-CB 3.16Å; D613-E617 PolarHBondContact O-N 2.95Å; D613-K652 VanDerWaalsContact OD2-CD 3.28Å; D613-K652 WeakPolarHBondContact OD2-CD 3.34Å; D613-K652 IonicContact OD2-NZ 3.86Å
614T74.5Confident70.5Confident34 Ų3448.4 Ų48.421%0.20924%0.242CC..Hα-helixtrans-68.9-37.3178-52.40000111.3I583 L597 G610 E617 L618I583-T614 HydrophobicContact CD1-CG2 4.42Å; I583-T614 HydrophobicContact CG2-CG2 4.46Å; L597-T614 HydrophobicContact CD1-CG2 4.28Å; G610-T614 VanDerWaalsContact O-CB 3.24Å; G610-T614 WeakPolarHBondContact O-CB 3.29Å; G610-T614 PolarHBondContact O-N 3.47Å; G610-T614 PolarHBondContact O-OG1 3.28Å; T614-E617 PolarHBondContact O-N 2.88Å; T614-L618 HydrophobicContact CG2-CD1 4.43Å; T614-L618 WeakPolarHBondContact O-CB 3.35Å; T614-L618 VanDerWaalsContact O-CG 3.27Å; T614-L618 WeakPolarHBondContact O-CG 3.31Å; T614-L618 PolarHBondContact O-N 3.5Å
615L74.9Confident70.8Confident10 Ų1053.3 Ų53.35%0.05226%0.264CS..Hα-helixtrans-69.7-39173.4-174.367.7000111.4L597 I601 V611 E617 L618 R619 L642L597-L615 HydrophobicContact CB-CD1 4.49Å; I601-L615 HydrophobicContact CD1-CD2 3.12Å; I601-L615 HydrophobicContact CD1-CG 4.42Å; I601-L615 HydrophobicContact CG1-CD2 4.44Å; V611-L615 WeakPolarHBondContact O-CB 3.16Å; V611-L615 PolarHBondContact O-N 3.45Å; L615-E617 VanDerWaalsContact C-N 3.32Å; L615-L618 PolarHBondContact O-N 2.69Å; L615-R619 HydrophobicContact CD1-CG 4.29Å; L615-R619 HydrophobicContact CG-CG 4.18Å; L615-R619 VanDerWaalsContact O-CB 3.31Å; L615-R619 WeakPolarHBondContact O-CB 3.21Å; L615-R619 WeakPolarHBondContact O-CG 3.49Å; L615-R619 PolarHBondContact O-N 3.23Å; L615-L642 HydrophobicContact CD2-CD1 4.49Å; L615-L642 HydrophobicContact CD2-CD2 4.46Å
616L72.6Confident71.4Confident0 Ų052.2 Ų52.20%025%0.251CS..Hα-helixtrans-63.5-40.6174.9-179.467.1000110.3Y612 D613 R619 L620 A639 L642 L643 L656Y612-L616 WeakPolarHBondContact O-CA 3.41Å; Y612-L616 WeakPolarHBondContact O-CB 3.5Å; Y612-L616 PolarHBondContact O-N 2.79Å; D613-L616 PolarHBondContact O-N 3.33Å; L616-R619 PolarHBondContact O-N 3.39Å; L616-L620 HydrophobicContact CD1-CD1 4.06Å; L616-L620 HydrophobicContact CD1-CG 4.02Å; L616-L620 HydrophobicContact CD2-CD1 4.37Å; L616-L620 HydrophobicContact CG-CD1 3.79Å; L616-L620 HydrophobicContact CG-CG 4.17Å; L616-L620 WeakPolarHBondContact O-CB 3.39Å; L616-L620 WeakPolarHBondContact O-CG 3.24Å; L616-L620 PolarHBondContact O-N 3.31Å; L616-A639 HydrophobicContact CD1-CB 4.3Å; L616-L642 HydrophobicContact CD1-CB 4.44Å; L616-L643 HydrophobicContact CD1-CG 4.46Å; L616-L643 HydrophobicContact CD2-CD2 3.93Å; L616-L656 HydrophobicContact CD2-CD1 4.32Å
617E77.4Confident71.6Confident101 Ų10150.3 Ų50.347%0.47225%0.252SS..Hα-helixtrans-61.3-49.4172.9-174176.8-174.500111D613 T614 L615 R619 L620 Q621D613-E617 WeakPolarHBondContact O-CB 3.16Å; D613-E617 PolarHBondContact O-N 2.95Å; T614-E617 PolarHBondContact O-N 2.88Å; L615-E617 VanDerWaalsContact C-N 3.32Å; E617-R619 VanDerWaalsContact C-N 3.32Å; E617-R619 PolarHBondContact O-N 3.39Å; E617-L620 PolarHBondContact O-N 3.37Å; E617-Q621 WeakPolarHBondContact O-CB 3.08Å; E617-Q621 PolarHBondContact O-N 3.27Å
618L74.4Confident72Confident52 Ų5252.6 Ų52.627%0.27226%0.263SS..Hα-helixtrans-59.9-39.2175.6-72.1169.5000112.2L597 T614 L615 D622L597-L618 HydrophobicContact CD1-CD1 3.85Å; T614-L618 HydrophobicContact CG2-CD1 4.43Å; T614-L618 WeakPolarHBondContact O-CB 3.35Å; T614-L618 VanDerWaalsContact O-CG 3.27Å; T614-L618 WeakPolarHBondContact O-CG 3.31Å; T614-L618 PolarHBondContact O-N 3.5Å; L615-L618 PolarHBondContact O-N 2.69Å; L618-D622 WeakPolarHBondContact O-CB 3.15Å; L618-D622 PolarHBondContact O-N 3.35Å
619R74.3Confident72.1Confident48 Ų4855.5 Ų55.518%0.18128%0.281CS..Hα-helixtrans-76.8-35.2179.5-68.4-74.5176.7157.5-5.1113.1E598 L615 L616 E617 D622 W623 E638 L642E598-R619 IonicContact OE1-CZ 2.72Å; E598-R619 IonicContact OE1-NH2 3.27Å; E598-R619 PolarHBondContact OE1-NH2 2.68Å; L615-R619 HydrophobicContact CD1-CG 4.29Å; L615-R619 HydrophobicContact CG-CG 4.18Å; L615-R619 VanDerWaalsContact O-CB 3.31Å; L615-R619 WeakPolarHBondContact O-CB 3.21Å; L615-R619 WeakPolarHBondContact O-CG 3.49Å; L615-R619 PolarHBondContact O-N 3.23Å; L616-R619 PolarHBondContact O-N 3.39Å; E617-R619 VanDerWaalsContact C-N 3.32Å; E617-R619 PolarHBondContact O-N 3.39Å; R619-D622 PolarHBondContact O-N 2.81Å; R619-W623 WeakPolarHBondContact O-CB 3.22Å; R619-W623 PolarHBondContact O-N 3.32Å; R619-E638 IonicContact CZ-OE2 2.67Å; R619-E638 IonicContact NH1-OE1 2.72Å; R619-E638 IonicContact NH1-OE2 3.13Å; R619-E638 PolarHBondContact NH1-OE2 2.87Å; R619-L642 HydrophobicContact CG-CD1 4.41Å
620L72.9Confident72Confident2 Ų257.1 Ų57.11%0.0129%0.288CS..Hα-helixtrans-71.9-33.7172.3-73.4174.3000110.9L616 E617 W623 A624 A639 L656L616-L620 HydrophobicContact CD1-CD1 4.06Å; L616-L620 HydrophobicContact CD1-CG 4.02Å; L616-L620 HydrophobicContact CD2-CD1 4.37Å; L616-L620 HydrophobicContact CG-CD1 3.79Å; L616-L620 HydrophobicContact CG-CG 4.17Å; L616-L620 WeakPolarHBondContact O-CB 3.39Å; L616-L620 WeakPolarHBondContact O-CG 3.24Å; L616-L620 PolarHBondContact O-N 3.31Å; E617-L620 PolarHBondContact O-N 3.37Å; L620-W623 PolarHBondContact O-N 2.85Å; L620-A624 WeakPolarHBondContact O-CB 3.49Å; L620-A624 PolarHBondContact O-N 2.9Å; L620-A639 HydrophobicContact CD2-CB 4.24Å; L620-L656 HydrophobicContact CD1-CB 4.18Å
621Q74Confident72.1Confident90 Ų9062.1 Ų62.142%0.42131%0.309SS..Hα-helixtrans-64.8-47.8169.8-170.3175.5500110.2E617 W623 A624 H625E617-Q621 WeakPolarHBondContact O-CB 3.08Å; E617-Q621 PolarHBondContact O-N 3.27Å; Q621-W623 VanDerWaalsContact C-N 3.35Å; Q621-W623 PolarHBondContact O-N 2.83Å; Q621-A624 PolarHBondContact O-N 2.75Å; Q621-H625 WeakPolarHBondContact O-CB 3.5Å; Q621-H625 PolarHBondContact O-N 2.89Å; Q621-H625 PolarHBondContact O-ND1 3.17Å
622D71.3Confident72.1Confident72 Ų7265.3 Ų65.339%0.38532%0.323SS..Hα-helixtrans-57.4-45.1172.5-73.7-15.4000110.8K594 L618 R619 A624 H625 E626K594-D622 IonicContact NZ-OD2 3.44Å; L618-D622 WeakPolarHBondContact O-CB 3.15Å; L618-D622 PolarHBondContact O-N 3.35Å; R619-D622 PolarHBondContact O-N 2.81Å; D622-A624 PolarHBondContact O-N 2.81Å; D622-H625 PolarHBondContact O-N 2.79Å; D622-E626 VanDerWaalsContact O-CB 3.29Å; D622-E626 WeakPolarHBondContact O-CB 3.45Å; D622-E626 PolarHBondContact O-N 3.38Å
623W74.9Confident72Confident42 Ų4271.4 Ų71.416%0.15935%0.349CS..Hα-helixtrans-64.1-37.4176.8175.386.3000114R619 L620 Q621 K632 C635R619-W623 WeakPolarHBondContact O-CB 3.22Å; R619-W623 PolarHBondContact O-N 3.32Å; L620-W623 PolarHBondContact O-N 2.85Å; Q621-W623 VanDerWaalsContact C-N 3.35Å; Q621-W623 PolarHBondContact O-N 2.83Å; W623-K632 VanDerWaalsContact CD1-O 3.31Å; W623-K632 HydrophobicContact CG-CG 4.46Å; W623-K632 PolarHBondContact NE1-O 2.75Å; W623-C635 HydrophobicContact CB-CB 4.06Å; W623-C635 HydrophobicContact CG-CB 4.46Å
624A69.8Low72Confident47 Ų4775 Ų7539%0.38837%0.372SS..Hα-helixtrans-72.7-33.1178.400000112L620 Q621 D622L620-A624 WeakPolarHBondContact O-CB 3.49Å; L620-A624 PolarHBondContact O-N 2.9Å; Q621-A624 PolarHBondContact O-N 2.75Å; D622-A624 PolarHBondContact O-N 2.81Å
625H70.4Confident71.7Confident139 Ų13974.4 Ų74.464%0.64437%0.369SS*.Hα-helixtrans-86.7-18.8179.1-70.176.4000113.3Q621 D622Q621-H625 WeakPolarHBondContact O-CB 3.5Å; Q621-H625 PolarHBondContact O-N 2.89Å; Q621-H625 PolarHBondContact O-ND1 3.17Å; D622-H625 PolarHBondContact O-N 2.79Å
626E74.7Confident71.6Confident66 Ų6676.8 Ų76.831%0.30838%0.38SS..  trans-75.6125178.8-167.863.3-104.600112D622 D628 K631D622-E626 VanDerWaalsContact O-CB 3.29Å; D622-E626 WeakPolarHBondContact O-CB 3.45Å; D622-E626 PolarHBondContact O-N 3.38Å; E626-D628 HydrophobicContact CG-CB 4.48Å; E626-K631 HydrophobicContact CG-CB 3.85Å
627Q63.9Low71.5Confident183 Ų18378.6 Ų78.686%0.85540%0.398SS*.  trans-97-14.9-178.6-63.3-168.22.800113.1
628D73.1Confident71.1Confident61 Ų6177.2 Ų77.233%0.32639%0.391SS..  trans-81.3119.7-178.1-174.6-12.6000111.7E626 E630 K631 K632E626-D628 HydrophobicContact CG-CB 4.48Å; D628-E630 VanDerWaalsContact C-N 3.31Å; D628-E630 PolarHBondContact O-N 2.92Å; D628-E630 PolarHBondContact OD1-N 3.2Å; D628-K631 HydrophobicContact CB-CB 4.18Å; D628-K631 HydrophobicContact CB-CD 4.18Å; D628-K631 HydrophobicContact CB-CG 4.31Å; D628-K631 PolarHBondContact O-N 3.13Å; D628-K631 IonicContact OD2-NZ 2.66Å; D628-K632 WeakPolarHBondContact O-CB 3.38Å; D628-K632 PolarHBondContact O-N 3.13Å
629P67.9Low71Confident91 Ų9174.8 Ų74.859%0.59138%0.379SS*.Hα-helixtrans-64.6-27.7-17525-34.3000114.5K633P629-K633 WeakPolarHBondContact O-CG 3.31Å; P629-K633 PolarHBondContact O-N 3.46Å
630E67.1Low70.9Confident135 Ų13574 Ų7463%0.63138%0.378SS*.Hα-helixtrans-75.6-46.8177.9-74.5-75.9120.700110.5D628 K632 K633 V634D628-E630 VanDerWaalsContact C-N 3.31Å; D628-E630 PolarHBondContact O-N 2.92Å; D628-E630 PolarHBondContact OD1-N 3.2Å; E630-K632 VanDerWaalsContact C-N 3.32Å; E630-K632 PolarHBondContact O-N 3.48Å; E630-K633 PolarHBondContact O-N 3.42Å; E630-V634 WeakPolarHBondContact O-CG2 3.34Å; E630-V634 PolarHBondContact O-N 3.34Å
631K68.3Low70.8Confident110 Ų11077.2 Ų77.248%0.47840%0.401SS..Hα-helixtrans-67.2-34.1175.6-65.6179.4-174.5168.60112.2E626 D628 K633 V634 C635E626-K631 HydrophobicContact CG-CB 3.85Å; D628-K631 HydrophobicContact CB-CB 4.18Å; D628-K631 HydrophobicContact CB-CD 4.18Å; D628-K631 HydrophobicContact CB-CG 4.31Å; D628-K631 PolarHBondContact O-N 3.13Å; D628-K631 IonicContact OD2-NZ 2.66Å; K631-K633 VanDerWaalsContact C-N 3.32Å; K631-K633 PolarHBondContact O-N 2.83Å; K631-V634 WeakPolarHBondContact O-CB 3.2Å; K631-V634 PolarHBondContact O-N 3.22Å; K631-V634 VanDerWaalsContact O-N 3.13Å; K631-C635 PolarHBondContact O-N 3.29Å; K631-C635 PolarHBondContact O-SG 2.69Å
632K72.4Confident70.7Confident68 Ų6874 Ų7430%0.29639%0.387SS..Hα-helixtrans-63.9-35.9175.8-167.4166.3-167.9154.10112.5W623 D628 E630 Q636W623-K632 VanDerWaalsContact CD1-O 3.31Å; W623-K632 HydrophobicContact CG-CG 4.46Å; W623-K632 PolarHBondContact NE1-O 2.75Å; D628-K632 WeakPolarHBondContact O-CB 3.38Å; D628-K632 PolarHBondContact O-N 3.13Å; E630-K632 VanDerWaalsContact C-N 3.32Å; E630-K632 PolarHBondContact O-N 3.48Å; K632-Q636 WeakPolarHBondContact O-CB 3.37Å; K632-Q636 PolarHBondContact O-N 2.86Å
633K69.7Low70.6Confident137 Ų13770.6 Ų70.660%0.59637%0.369SS*.Hα-helixtrans-68.4-37.8171.6-77178.5-177.11730112.4P629 E630 K631 Q636 G637P629-K633 WeakPolarHBondContact O-CG 3.31Å; P629-K633 PolarHBondContact O-N 3.46Å; E630-K633 PolarHBondContact O-N 3.42Å; K631-K633 VanDerWaalsContact C-N 3.32Å; K631-K633 PolarHBondContact O-N 2.83Å; K633-Q636 PolarHBondContact O-N 2.89Å; K633-G637 PolarHBondContact O-N 3.11Å
634V73.1Confident70.3Confident87 Ų8776.6 Ų76.653%0.52739%0.391SS..Hα-helixtrans-64.6-49.4174.7176.50000110.3E630 K631 Q636 G637 E638E630-V634 WeakPolarHBondContact O-CG2 3.34Å; E630-V634 PolarHBondContact O-N 3.34Å; K631-V634 WeakPolarHBondContact O-CB 3.2Å; K631-V634 PolarHBondContact O-N 3.22Å; K631-V634 VanDerWaalsContact O-N 3.13Å; V634-Q636 VanDerWaalsContact C-N 3.28Å; V634-Q636 PolarHBondContact O-N 2.66Å; V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.11Å; V634-E638 WeakPolarHBondContact O-CG 3.44Å; V634-E638 PolarHBondContact O-N 2.82Å
635C69.1Low70.1Confident22 Ų2275.9 Ų75.915%0.14938%0.383CS..Hα-helixtrans-61.3-35.3174.8-63.20000112.4W623 K631 E638 A639W623-C635 HydrophobicContact CB-CB 4.06Å; W623-C635 HydrophobicContact CG-CB 4.46Å; K631-C635 PolarHBondContact O-N 3.29Å; K631-C635 PolarHBondContact O-SG 2.69Å; C635-E638 PolarHBondContact O-N 3.43Å; C635-A639 VanDerWaalsContact O-CB 3.31Å; C635-A639 WeakPolarHBondContact O-CB 3.29Å; C635-A639 PolarHBondContact O-N 3.25Å
636Q71.6Confident69.6Low60 Ų6075.1 Ų75.128%0.2838%0.384SS..Hα-helixtrans-66.1-41.7173.5-176.6177.20.700111.8K632 K633 V634 L640 F662K632-Q636 WeakPolarHBondContact O-CB 3.37Å; K632-Q636 PolarHBondContact O-N 2.86Å; K633-Q636 PolarHBondContact O-N 2.89Å; V634-Q636 VanDerWaalsContact C-N 3.28Å; V634-Q636 PolarHBondContact O-N 2.66Å; Q636-L640 HydrophobicContact CG-CD1 4.18Å; Q636-L640 VanDerWaalsContact O-CB 3.31Å; Q636-L640 WeakPolarHBondContact O-CB 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.37Å; Q636-L640 PolarHBondContact O-N 3.21Å; Q636-F662 HydrophobicContact CG-CE2 4.04Å
637G70.8Confident68.9Low38 Ų3874 Ų7439%0.39238%0.38SS..Hα-helixtrans-64-42.2174.500000112.3K633 V634 L640 S641K633-G637 PolarHBondContact O-N 3.11Å; V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.11Å; G637-L640 PolarHBondContact O-N 2.9Å; G637-S641 WeakPolarHBondContact O-CB 3.37Å; G637-S641 PolarHBondContact O-N 3.34Å
638E70.6Confident68.8Low71 Ų7165.7 Ų65.733%0.33234%0.342SS..Hα-helixtrans-64.7-45.6175.7-71.2178.4174.500111.6R619 V634 C635 S641 L642R619-E638 IonicContact CZ-OE2 2.67Å; R619-E638 IonicContact NH1-OE1 2.72Å; R619-E638 IonicContact NH1-OE2 3.13Å; R619-E638 PolarHBondContact NH1-OE2 2.87Å; V634-E638 WeakPolarHBondContact O-CG 3.44Å; V634-E638 PolarHBondContact O-N 2.82Å; C635-E638 PolarHBondContact O-N 3.43Å; E638-S641 PolarHBondContact O-N 3.27Å; E638-S641 PolarHBondContact O-OG 3.48Å; E638-L642 PolarHBondContact O-N 3.29Å
639A71.8Confident68.4Low2 Ų264.4 Ų64.42%0.01734%0.336CS..Hα-helixtrans-64.5-40.117600000112.4L616 L620 C635 S641 L642 L643L616-A639 HydrophobicContact CD1-CB 4.3Å; L620-A639 HydrophobicContact CD2-CB 4.24Å; C635-A639 VanDerWaalsContact O-CB 3.31Å; C635-A639 WeakPolarHBondContact O-CB 3.29Å; C635-A639 PolarHBondContact O-N 3.25Å; A639-S641 VanDerWaalsContact C-N 3.35Å; A639-L642 PolarHBondContact O-N 3.37Å; A639-L643 WeakPolarHBondContact O-CG 3.22Å; A639-L643 PolarHBondContact O-N 2.87Å
640L70.8Confident68.2Low30 Ų3062 Ų6216%0.15732%0.317CS..Hα-helixtrans-65.6-36.8173-83168.7000112.4Q636 G637 L642 L643 R644 F662Q636-L640 HydrophobicContact CG-CD1 4.18Å; Q636-L640 VanDerWaalsContact O-CB 3.31Å; Q636-L640 WeakPolarHBondContact O-CB 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.37Å; Q636-L640 PolarHBondContact O-N 3.21Å; G637-L640 PolarHBondContact O-N 2.9Å; L640-L642 VanDerWaalsContact C-N 3.31Å; L640-L643 PolarHBondContact O-N 3.48Å; L640-R644 WeakPolarHBondContact O-CB 3.38Å; L640-R644 WeakPolarHBondContact O-CG 3.31Å; L640-R644 PolarHBondContact O-N 3.46Å; L640-F662 HydrophobicContact CD1-CZ 4.12Å; L640-F662 HydrophobicContact CD2-CE1 3.69Å; L640-F662 HydrophobicContact CD2-CZ 3.51Å; L640-F662 HydrophobicContact CG-CE1 4.2Å; L640-F662 HydrophobicContact CG-CZ 3.62Å
641S72.1Confident68.1Low71 Ų7160.7 Ų60.750%0.49731%0.314SS..Hα-helixtrans-65.3-37.2176770000111.8G637 E638 A639 S645G637-S641 WeakPolarHBondContact O-CB 3.37Å; G637-S641 PolarHBondContact O-N 3.34Å; E638-S641 PolarHBondContact O-N 3.27Å; E638-S641 PolarHBondContact O-OG 3.48Å; A639-S641 VanDerWaalsContact C-N 3.35Å; S641-S645 PolarHBondContact O-N 2.6Å
642L71.9Confident68.1Low21 Ų2160.6 Ų60.611%0.1131%0.313CS..Hα-helixtrans-67.5-42.3172.7-80.9157.6000111.7I601 Y612 L615 L616 R619 E638 A639 L640 R644 S645I601-L642 HydrophobicContact CD1-CD2 4.44Å; Y612-L642 HydrophobicContact CD1-CD2 3.67Å; Y612-L642 HydrophobicContact CE1-CD2 4.09Å; L615-L642 HydrophobicContact CD2-CD1 4.49Å; L615-L642 HydrophobicContact CD2-CD2 4.46Å; L616-L642 HydrophobicContact CD1-CB 4.44Å; R619-L642 HydrophobicContact CG-CD1 4.41Å; E638-L642 PolarHBondContact O-N 3.29Å; A639-L642 PolarHBondContact O-N 3.37Å; L640-L642 VanDerWaalsContact C-N 3.31Å; L642-R644 VanDerWaalsContact C-N 3.35Å; L642-R644 PolarHBondContact O-N 2.94Å; L642-S645 WeakPolarHBondContact O-CB 3.34Å; L642-S645 PolarHBondContact O-N 3.35Å; L642-S645 PolarHBondContact O-OG 3.18Å
643L68.9Low68Low2 Ų257.3 Ų57.31%0.0130%0.299CS..Hα-helixtrans-68.2-31.1176.5-72.8169.3000113.7L616 A639 L640 S645 A653 F662 Y668L616-L643 HydrophobicContact CD1-CG 4.46Å; L616-L643 HydrophobicContact CD2-CD2 3.93Å; A639-L643 WeakPolarHBondContact O-CG 3.22Å; A639-L643 PolarHBondContact O-N 2.87Å; L640-L643 PolarHBondContact O-N 3.48Å; L643-S645 VanDerWaalsContact C-N 3.26Å; L643-A653 HydrophobicContact CD2-CB 3.97Å; L643-F662 HydrophobicContact CD1-CD1 3.98Å; L643-F662 HydrophobicContact CD1-CE1 3.64Å; L643-Y668 WeakPolarHBondContact O-CE1 3.42Å
644R68.4Low68.1Low167 Ų16751.9 Ų51.963%0.6328%0.276SS*.Hα-helixtrans-74.7-18.5173.7-74.4173.6-176.6-1772.9112.6L640 L642L640-R644 WeakPolarHBondContact O-CB 3.38Å; L640-R644 WeakPolarHBondContact O-CG 3.31Å; L640-R644 PolarHBondContact O-N 3.46Å; L642-R644 VanDerWaalsContact C-N 3.35Å; L642-R644 PolarHBondContact O-N 2.94Å
645S65.6Low68.1Low32 Ų3251.3 Ų51.322%0.22427%0.273CS..SBendtrans-70.2141.1171.282.10000109.4S641 L642 L643 N647S641-S645 PolarHBondContact O-N 2.6Å; L642-S645 WeakPolarHBondContact O-CB 3.34Å; L642-S645 PolarHBondContact O-N 3.35Å; L642-S645 PolarHBondContact O-OG 3.18Å; L643-S645 VanDerWaalsContact C-N 3.26Å; S645-N647 PolarHBondContact O-N 2.87Å
646D59.7Low68.2Low124 Ų12451.5 Ų51.566%0.66327%0.273SS*.THydrogen-bonded Turntrans-71.75-175.3-80.4-33.3000114.9K672D646-K672 VanDerWaalsContact OD1-CE 3.3Å; D646-K672 WeakPolarHBondContact OD1-CE 3.14Å; D646-K672 IonicContact OD1-NZ 2.99Å; D646-K672 PolarHBondContact OD1-NZ 2.84Å
647N61.1Low68.2Low41 Ų4148.7 Ų48.722%0.21926%0.259CS..THydrogen-bonded Turntrans-101.4-4.9-166.1-60.7-24.7000115.2P605 Q609 Y612 S645P605-N647 PolarHBondContact O-ND2 2.88Å; Q609-N647 WeakPolarHBondContact CB-O 3.36Å; Q609-N647 VanDerWaalsContact CG-O 3.27Å; Q609-N647 WeakPolarHBondContact CG-O 3.27Å; Y612-N647 HydrophobicContact CD1-CB 4.39Å; Y612-N647 HydrophobicContact CD2-CB 3.73Å; Y612-N647 HydrophobicContact CE1-CB 4.38Å; Y612-N647 HydrophobicContact CE2-CB 3.68Å; Y612-N647 HydrophobicContact CG-CB 4.1Å; Y612-N647 PolarHBondContact OH-ND2 3.18Å; S645-N647 PolarHBondContact O-N 2.87Å
648T61.9Low68.3Low9 Ų951.3 Ų51.36%0.05526%0.262CS..SBendtrans-85.2138176.856.60000111.8F650T648-F650 PolarHBondContact O-N 3Å
649V63.2Low68.3Low34 Ų3454.5 Ų54.521%0.20628%0.278CS..  trans-68.3123.8176.8178.40000110Q609 D651 K652 A653Q609-V649 HydrophobicContact CB-CG2 3.71Å; Q609-V649 HydrophobicContact CG-CG2 4.28Å; V649-D651 PolarHBondContact O-N 2.78Å; V649-K652 HydrophobicContact CB-CB 4.16Å; V649-K652 HydrophobicContact CB-CD 4.32Å; V649-K652 HydrophobicContact CB-CG 4.39Å; V649-K652 HydrophobicContact CG1-CB 4.34Å; V649-K652 HydrophobicContact CG1-CD 4.47Å; V649-K652 HydrophobicContact CG1-CG 4.23Å; V649-K652 PolarHBondContact O-N 3.19Å; V649-A653 WeakPolarHBondContact O-CB 3.24Å; V649-A653 PolarHBondContact O-N 3.05Å
650F64.5Low68.1Low41 Ų4157 Ų5718%0.1829%0.289CS..Hα-helixtrans-47-56.2-177.1-171.6-102.4000114.3T648 L654 L669 L675T648-F650 PolarHBondContact O-N 3Å; F650-L654 VanDerWaalsContact O-CB 3.28Å; F650-L654 WeakPolarHBondContact O-CB 3.21Å; F650-L654 PolarHBondContact O-N 3.08Å; F650-L669 HydrophobicContact CD2-CB 4.28Å; F650-L669 HydrophobicContact CD2-CD2 3.72Å; F650-L669 VanDerWaalsContact CE2-CA 3.48Å; F650-L669 HydrophobicContact CE2-CB 3.44Å; F650-L669 VanDerWaalsContact CE2-CB 3.44Å; F650-L669 HydrophobicContact CE2-CD2 3.74Å; F650-L669 HydrophobicContact CE2-CG 4.17Å; F650-L669 WeakPolarHBondContact CE2-O 3.41Å; F650-L669 VanDerWaalsContact CZ-C 3.44Å; F650-L669 HydrophobicContact CZ-CB 3.84Å; F650-L669 WeakPolarHBondContact CZ-O 3.47Å; F650-L675 HydrophobicContact CE1-CD1 3.91Å; F650-L675 HydrophobicContact CZ-CD1 4.35Å
651D65.4Low68Low108 Ų10862.3 Ų62.358%0.57832%0.318SS*.Hα-helixtrans-69.7-40.9-174.2-59.5-41.9000112.2V649 L654 V655V649-D651 PolarHBondContact O-N 2.78Å; D651-L654 PolarHBondContact O-N 3.4Å; D651-V655 VanDerWaalsContact O-CG2 3.3Å; D651-V655 WeakPolarHBondContact O-CG2 3.32Å; D651-V655 PolarHBondContact O-N 3.43Å
652K68.6Low68.2Low107 Ų10759.6 Ų59.647%0.46530%0.297SS..Hα-helixtrans-70-42.9178.2-69.9-178.3177.4179.50111.5D613 V649 L654 V655 L656D613-K652 VanDerWaalsContact OD2-CD 3.28Å; D613-K652 WeakPolarHBondContact OD2-CD 3.34Å; D613-K652 IonicContact OD2-NZ 3.86Å; V649-K652 HydrophobicContact CB-CB 4.16Å; V649-K652 HydrophobicContact CB-CD 4.32Å; V649-K652 HydrophobicContact CB-CG 4.39Å; V649-K652 HydrophobicContact CG1-CB 4.34Å; V649-K652 HydrophobicContact CG1-CD 4.47Å; V649-K652 HydrophobicContact CG1-CG 4.23Å; V649-K652 PolarHBondContact O-N 3.19Å; K652-L654 VanDerWaalsContact C-N 3.28Å; K652-L654 PolarHBondContact O-N 2.83Å; K652-V655 PolarHBondContact O-N 2.78Å; K652-L656 WeakPolarHBondContact O-CB 3.4Å; K652-L656 VanDerWaalsContact O-CG 3.29Å; K652-L656 WeakPolarHBondContact O-CG 3.21Å; K652-L656 PolarHBondContact O-N 2.87Å
653A68.6Low68Low0 Ų066.9 Ų66.90%033%0.328CS..Hα-helixtrans-61.6-38.6174.400000111.1L643 V649 C657 L669L643-A653 HydrophobicContact CD2-CB 3.97Å; V649-A653 WeakPolarHBondContact O-CB 3.24Å; V649-A653 PolarHBondContact O-N 3.05Å; A653-C657 WeakPolarHBondContact O-CB 3.18Å; A653-C657 PolarHBondContact O-N 3.42Å; A653-C657 PolarHBondContact O-SG 2.93Å; A653-L669 HydrophobicContact CB-CD1 4.18Å; A653-L669 HydrophobicContact CB-CD2 4.41Å
654L71.9Confident68Low22 Ų2272.6 Ų72.612%0.11536%0.355CS..Hα-helixtrans-64.1-45.6174.8-173.767.6000111.5F650 D651 K652 C657 Q658 V666 L669 Y670F650-L654 VanDerWaalsContact O-CB 3.28Å; F650-L654 WeakPolarHBondContact O-CB 3.21Å; F650-L654 PolarHBondContact O-N 3.08Å; D651-L654 PolarHBondContact O-N 3.4Å; K652-L654 VanDerWaalsContact C-N 3.28Å; K652-L654 PolarHBondContact O-N 2.83Å; L654-C657 PolarHBondContact O-N 3.43Å; L654-Q658 WeakPolarHBondContact O-CB 3.28Å; L654-Q658 VanDerWaalsContact O-CG 3.24Å; L654-Q658 WeakPolarHBondContact O-CG 3.41Å; L654-Q658 PolarHBondContact O-N 2.83Å; L654-V666 HydrophobicContact CD1-CB 4.29Å; L654-V666 HydrophobicContact CD1-CG1 3.96Å; L654-V666 HydrophobicContact CD1-CG2 4.12Å; L654-L669 HydrophobicContact CB-CD1 3.97Å; L654-L669 HydrophobicContact CD1-CB 4.26Å; L654-L669 HydrophobicContact CD1-CD1 4.03Å; L654-Y670 HydrophobicContact CD1-CE1 4.17Å; L654-Y670 HydrophobicContact CD2-CE1 3.98Å
655V74.1Confident68.1Low76 Ų7664.7 Ų64.746%0.46133%0.325SS..Hα-helixtrans-63.4-47.7176.3171.20000111.2D651 K652 C657 Q658 M659D651-V655 VanDerWaalsContact O-CG2 3.3Å; D651-V655 WeakPolarHBondContact O-CG2 3.32Å; D651-V655 PolarHBondContact O-N 3.43Å; K652-V655 PolarHBondContact O-N 2.78Å; V655-C657 VanDerWaalsContact C-N 3.33Å; V655-C657 PolarHBondContact O-N 3.22Å; V655-Q658 PolarHBondContact O-N 3.06Å; V655-M659 HydrophobicContact CG1-CG 4.14Å; V655-M659 HydrophobicContact CG1-SD 3.81Å; V655-M659 WeakPolarHBondContact O-CB 3.3Å; V655-M659 VanDerWaalsContact O-CG 3.24Å; V655-M659 WeakPolarHBondContact O-CG 3.2Å; V655-M659 PolarHBondContact O-N 2.78Å
656L69.7Low68.4Low26 Ų2664.4 Ų64.414%0.13632%0.322CS..Hα-helixtrans-60.7-42.4177.2-71170.7000111.2L616 L620 K652 H660L616-L656 HydrophobicContact CD2-CD1 4.32Å; L620-L656 HydrophobicContact CD1-CB 4.18Å; K652-L656 WeakPolarHBondContact O-CB 3.4Å; K652-L656 VanDerWaalsContact O-CG 3.29Å; K652-L656 WeakPolarHBondContact O-CG 3.21Å; K652-L656 PolarHBondContact O-N 2.87Å; L656-H660 PolarHBondContact O-CD2 3.32Å; L656-H660 VanDerWaalsContact O-CD2 3.27Å; L656-H660 PolarHBondContact O-N 3.32Å; L656-H660 VanDerWaalsContact O-N 3.08Å
657C73.3Confident68.9Low0 Ų062.5 Ų62.50%031%0.311CS..Hα-helixtrans-66.1-40.7175.5-70.40000112.2A653 L654 V655 N661 F662 V666A653-C657 WeakPolarHBondContact O-CB 3.18Å; A653-C657 PolarHBondContact O-N 3.42Å; A653-C657 PolarHBondContact O-SG 2.93Å; L654-C657 PolarHBondContact O-N 3.43Å; V655-C657 VanDerWaalsContact C-N 3.33Å; V655-C657 PolarHBondContact O-N 3.22Å; C657-N661 PolarHBondContact O-N 3.35Å; C657-F662 HydrophobicContact CB-CB 4.07Å; C657-F662 HydrophobicContact CB-CD1 4.4Å; C657-F662 PolarHBondContact O-N 3.41Å; C657-V666 HydrophobicContact CB-CG2 4.35Å
658Q71.3Confident69.5Low94 Ų9464.4 Ų64.444%0.43932%0.316SS..Hα-helixtrans-68.8-41.3176.9-75.6177.4-5.300111.9L654 V655 H660 N661 V666L654-Q658 WeakPolarHBondContact O-CB 3.28Å; L654-Q658 VanDerWaalsContact O-CG 3.24Å; L654-Q658 WeakPolarHBondContact O-CG 3.41Å; L654-Q658 PolarHBondContact O-N 2.83Å; V655-Q658 PolarHBondContact O-N 3.06Å; Q658-H660 VanDerWaalsContact C-N 3.3Å; Q658-H660 PolarHBondContact O-N 3.32Å; Q658-N661 PolarHBondContact O-N 3.34Å; Q658-V666 HydrophobicContact CG-CG2 4.06Å
659M71.5Confident69.9Low137 Ų13764.1 Ų64.168%0.67531%0.314SS*.Hα-helixtrans-60.7-38.3176.2-76.7-177.366.100112.1V655V655-M659 HydrophobicContact CG1-CG 4.14Å; V655-M659 HydrophobicContact CG1-SD 3.81Å; V655-M659 WeakPolarHBondContact O-CB 3.3Å; V655-M659 VanDerWaalsContact O-CG 3.24Å; V655-M659 WeakPolarHBondContact O-CG 3.2Å; V655-M659 PolarHBondContact O-N 2.78Å
660H67.3Low70.4Confident56 Ų5664.8 Ų64.826%0.25931%0.313SS..THydrogen-bonded Turntrans-94.38.6178.1-69.8-81.4000114.1L656 Q658L656-H660 PolarHBondContact O-CD2 3.32Å; L656-H660 VanDerWaalsContact O-CD2 3.27Å; L656-H660 PolarHBondContact O-N 3.32Å; L656-H660 VanDerWaalsContact O-N 3.08Å; Q658-H660 VanDerWaalsContact C-N 3.3Å; Q658-H660 PolarHBondContact O-N 3.32Å
661N69.1Low70.8Confident141 Ų14169 Ų6975%0.75433%0.333SS*.THydrogen-bonded Turntrans5840.5179.9-77.3-38.4000116.1C657 Q658 K663C657-N661 PolarHBondContact O-N 3.35Å; Q658-N661 PolarHBondContact O-N 3.34Å; N661-K663 PolarHBondContact O-N 2.83Å
662F75.3Confident70.9Confident13 Ų1367.4 Ų67.46%0.05732%0.321CS..  trans-92.187.8-176.9-169.1-112.6000113.5Q636 L640 L643 C657 E664 G665Q636-F662 HydrophobicContact CG-CE2 4.04Å; L640-F662 HydrophobicContact CD1-CZ 4.12Å; L640-F662 HydrophobicContact CD2-CE1 3.69Å; L640-F662 HydrophobicContact CD2-CZ 3.51Å; L640-F662 HydrophobicContact CG-CE1 4.2Å; L640-F662 HydrophobicContact CG-CZ 3.62Å; L643-F662 HydrophobicContact CD1-CD1 3.98Å; L643-F662 HydrophobicContact CD1-CE1 3.64Å; C657-F662 HydrophobicContact CB-CB 4.07Å; C657-F662 HydrophobicContact CB-CD1 4.4Å; C657-F662 PolarHBondContact O-N 3.41Å; F662-E664 HydrophobicContact CZ-CB 4.43Å; F662-E664 PolarHBondContact O-N 2.76Å; F662-G665 VanDerWaalsContact CE1-N 3.3Å; F662-G665 PolarHBondContact O-N 2.84Å
663K69.4Low70.7Confident175 Ų17563.7 Ų63.776%0.76131%0.313SS*.Hα-helixtrans-62.3-42-171.1-63.9-177.4-178.4-179.30115.6N661 G665 V666N661-K663 PolarHBondContact O-N 2.83Å; K663-G665 VanDerWaalsContact C-N 3.31Å; K663-G665 PolarHBondContact O-N 3.15Å; K663-V666 PolarHBondContact O-N 3.15Å
664E69.1Low70.6Confident122 Ų12270.5 Ų70.557%0.5734%0.343SS*.Hα-helixtrans-69-31-177.5-69.4-173.4159.400112.3F662 Y668F662-E664 HydrophobicContact CZ-CB 4.43Å; F662-E664 PolarHBondContact O-N 2.76Å; E664-Y668 PolarHBondContact O-N 3.11Å
665G69.4Low70.6Confident1 Ų173 Ų731%0.0136%0.356CS..Hα-helixtrans-67.4-35.6173.800000113F662 K663 L669F662-G665 VanDerWaalsContact CE1-N 3.3Å; F662-G665 PolarHBondContact O-N 2.84Å; K663-G665 VanDerWaalsContact C-N 3.31Å; K663-G665 PolarHBondContact O-N 3.15Å; G665-L669 WeakPolarHBondContact O-CB 3.39Å; G665-L669 WeakPolarHBondContact O-CD1 3.44Å; G665-L669 WeakPolarHBondContact O-CG 3.24Å; G665-L669 PolarHBondContact O-N 3.46Å
666V72.5Confident70.5Confident26 Ų2670.9 Ų70.916%0.15834%0.34CS..Hα-helixtrans-67.4-44.7-177.1173.50000112.5L654 C657 Q658 K663 L669 Y670L654-V666 HydrophobicContact CD1-CB 4.29Å; L654-V666 HydrophobicContact CD1-CG1 3.96Å; L654-V666 HydrophobicContact CD1-CG2 4.12Å; C657-V666 HydrophobicContact CB-CG2 4.35Å; Q658-V666 HydrophobicContact CG-CG2 4.06Å; K663-V666 PolarHBondContact O-N 3.15Å; V666-L669 PolarHBondContact O-N 3.07Å; V666-Y670 HydrophobicContact CG1-CD2 4.23Å; V666-Y670 HydrophobicContact CG1-CE2 3.7Å; V666-Y670 PolarHBondContact O-N 2.96Å
667L70.6Confident70.4Confident84 Ų8473.3 Ų73.344%0.4435%0.351SS..Hα-helixtrans-67.2-42.7178.7-71.4171.6000111.8L669 Y670 E671 Y682L667-L669 VanDerWaalsContact C-N 3.25Å; L667-L669 PolarHBondContact O-N 3.49Å; L667-Y670 PolarHBondContact O-N 3.39Å; L667-E671 PolarHBondContact O-N 3.41Å; L667-Y682 HydrophobicContact CD2-CD1 4.48Å; L667-Y682 HydrophobicContact CD2-CE1 3.92Å
668Y71.8Confident70.3Confident81 Ų8178.3 Ų78.332%0.31837%0.374SS..Hα-helixtrans-59.2-40174.7175.4-102.2000111.7L643 E664 K672L643-Y668 WeakPolarHBondContact O-CE1 3.42Å; E664-Y668 PolarHBondContact O-N 3.11Å; Y668-K672 HydrophobicContact CE1-CD 4.36Å; Y668-K672 WeakPolarHBondContact O-CB 3.32Å; Y668-K672 PolarHBondContact O-N 2.91Å; Y668-K672 VanDerWaalsContact O-N 3.14Å
669L71Confident70.2Confident2 Ų274.6 Ų74.61%0.0136%0.357CS..Hα-helixtrans-63.9-52.9174.8-72.4169.5000110.4F650 A653 L654 G665 V666 L667 E671 K672 G673F650-L669 HydrophobicContact CD2-CB 4.28Å; F650-L669 HydrophobicContact CD2-CD2 3.72Å; F650-L669 VanDerWaalsContact CE2-CA 3.48Å; F650-L669 HydrophobicContact CE2-CB 3.44Å; F650-L669 VanDerWaalsContact CE2-CB 3.44Å; F650-L669 HydrophobicContact CE2-CD2 3.74Å; F650-L669 HydrophobicContact CE2-CG 4.17Å; F650-L669 WeakPolarHBondContact CE2-O 3.41Å; F650-L669 VanDerWaalsContact CZ-C 3.44Å; F650-L669 HydrophobicContact CZ-CB 3.84Å; F650-L669 WeakPolarHBondContact CZ-O 3.47Å; A653-L669 HydrophobicContact CB-CD1 4.18Å; A653-L669 HydrophobicContact CB-CD2 4.41Å; L654-L669 HydrophobicContact CB-CD1 3.97Å; L654-L669 HydrophobicContact CD1-CB 4.26Å; L654-L669 HydrophobicContact CD1-CD1 4.03Å; G665-L669 WeakPolarHBondContact O-CB 3.39Å; G665-L669 WeakPolarHBondContact O-CD1 3.44Å; G665-L669 WeakPolarHBondContact O-CG 3.24Å; G665-L669 PolarHBondContact O-N 3.46Å; V666-L669 PolarHBondContact O-N 3.07Å; L667-L669 VanDerWaalsContact C-N 3.25Å; L667-L669 PolarHBondContact O-N 3.49Å; L669-E671 PolarHBondContact O-N 3.26Å; L669-E671 VanDerWaalsContact O-N 3.07Å; L669-K672 WeakPolarHBondContact O-CA 3.32Å; L669-K672 WeakPolarHBondContact O-CB 3.3Å; L669-K672 PolarHBondContact O-N 3.18Å; L669-G673 PolarHBondContact O-N 3.26Å
670Y74.4Confident70.1Confident49 Ų4968.4 Ų68.419%0.19233%0.326CS..Hα-helixtrans-53.9-37.9-179.1-68.3-27.8000114.8L654 V666 L667 I679L654-Y670 HydrophobicContact CD1-CE1 4.17Å; L654-Y670 HydrophobicContact CD2-CE1 3.98Å; V666-Y670 HydrophobicContact CG1-CD2 4.23Å; V666-Y670 HydrophobicContact CG1-CE2 3.7Å; V666-Y670 PolarHBondContact O-N 2.96Å; L667-Y670 PolarHBondContact O-N 3.39Å; Y670-I679 WeakPolarHBondContact O-CD1 3.49Å
671E72.1Confident70.3Confident128 Ų12870 Ų7060%0.59833%0.334SS*.Hα-helixtrans-65.6-43.2173.5-69.3-177.9169.300112.8L667 L669 G673L667-E671 PolarHBondContact O-N 3.41Å; L669-E671 PolarHBondContact O-N 3.26Å; L669-E671 VanDerWaalsContact O-N 3.07Å; E671-G673 VanDerWaalsContact C-N 3.35Å; E671-G673 PolarHBondContact O-N 3.3Å
672K67.2Low70.4Confident76 Ų7667.9 Ų67.933%0.3332%0.316SS..Hα-helixtrans-65-36.7176.8-169.1176.2-172.4166.80112.6D646 Y668 L669 K674D646-K672 VanDerWaalsContact OD1-CE 3.3Å; D646-K672 WeakPolarHBondContact OD1-CE 3.14Å; D646-K672 IonicContact OD1-NZ 2.99Å; D646-K672 PolarHBondContact OD1-NZ 2.84Å; Y668-K672 HydrophobicContact CE1-CD 4.36Å; Y668-K672 WeakPolarHBondContact O-CB 3.32Å; Y668-K672 PolarHBondContact O-N 2.91Å; Y668-K672 VanDerWaalsContact O-N 3.14Å; L669-K672 WeakPolarHBondContact O-CA 3.32Å; L669-K672 WeakPolarHBondContact O-CB 3.3Å; L669-K672 PolarHBondContact O-N 3.18Å; K672-K674 PolarHBondContact O-N 3.48Å
673G65.6Low70.3Confident29 Ų2969.2 Ų69.230%0.29932%0.322SS..THydrogen-bonded Turntrans-75.3-2.6-176.200000115.4L669 E671 L675L669-G673 PolarHBondContact O-N 3.26Å; E671-G673 VanDerWaalsContact C-N 3.35Å; E671-G673 PolarHBondContact O-N 3.3Å; G673-L675 PolarHBondContact O-N 3.47Å
674K65.8Low70.5Confident143 Ų14362.8 Ų62.862%0.62230%0.296SS*.THydrogen-bonded Turntrans51.624.6-173.8-57.3-172.6177.11760113.7K672 Y676K672-K674 PolarHBondContact O-N 3.48Å; K674-Y676 HydrophobicContact CB-CD2 4.45Å; K674-Y676 HydrophobicContact CB-CE1 4.13Å; K674-Y676 HydrophobicContact CB-CE2 3.78Å; K674-Y676 HydrophobicContact CG-CE1 4.45Å; K674-Y676 HydrophobicContact CG-CE2 4.34Å; K674-Y676 WeakPolarHBondContact CG-OH 3.17Å; K674-Y676 VanDerWaalsContact O-CD2 3.31Å; K674-Y676 WeakPolarHBondContact O-CD2 3.37Å; K674-Y676 PolarHBondContact O-N 3.44Å
675L71.8Confident70.6Confident74 Ų7463.1 Ų63.139%0.38730%0.297SS..  trans-79.461.2178.2-66.6171.5000108.8F650 G673 Q677 Q678 I679F650-L675 HydrophobicContact CE1-CD1 3.91Å; F650-L675 HydrophobicContact CZ-CD1 4.35Å; G673-L675 PolarHBondContact O-N 3.47Å; L675-Q677 PolarHBondContact O-N 3.02Å; L675-Q678 HydrophobicContact CB-CB 3.99Å; L675-Q678 HydrophobicContact CB-CG 4.11Å; L675-Q678 WeakPolarHBondContact O-CA 3.49Å; L675-Q678 WeakPolarHBondContact O-CB 3.47Å; L675-Q678 PolarHBondContact O-N 2.99Å; L675-I679 PolarHBondContact O-N 2.92Å
676Y72.6Confident70.6Confident32 Ų3267.1 Ų67.113%0.12532%0.318CS..Hα-helixtrans-62.7-31.8-172.9-52.1-53000111.9K674 I679 M680 Y699 L702K674-Y676 HydrophobicContact CB-CD2 4.45Å; K674-Y676 HydrophobicContact CB-CE1 4.13Å; K674-Y676 HydrophobicContact CB-CE2 3.78Å; K674-Y676 HydrophobicContact CG-CE1 4.45Å; K674-Y676 HydrophobicContact CG-CE2 4.34Å; K674-Y676 WeakPolarHBondContact CG-OH 3.17Å; K674-Y676 VanDerWaalsContact O-CD2 3.31Å; K674-Y676 WeakPolarHBondContact O-CD2 3.37Å; K674-Y676 PolarHBondContact O-N 3.44Å; Y676-I679 HydrophobicContact CD1-CD1 4.18Å; Y676-I679 PolarHBondContact O-N 3.07Å; Y676-M680 WeakPolarHBondContact O-CB 2.87Å; Y676-M680 PolarHBondContact O-N 2.96Å; Y676-Y699 AromaticContact CD1-CD1 3.5Å; Y676-Y699 HydrophobicContact CD1-CD1 3.5Å; Y676-Y699 AromaticContact CD1-CD2 3.77Å; Y676-Y699 HydrophobicContact CD1-CD2 3.77Å; Y676-Y699 AromaticContact CD1-CE1 3.62Å; Y676-Y699 HydrophobicContact CD1-CE1 3.62Å; Y676-Y699 AromaticContact CD1-CE2 3.9Å; Y676-Y699 HydrophobicContact CD1-CE2 3.9Å; Y676-Y699 AromaticContact CD1-CG 3.58Å; Y676-Y699 HydrophobicContact CD1-CG 3.58Å; Y676-Y699 AromaticContact CD1-CZ 3.82Å; Y676-Y699 HydrophobicContact CD2-CD1 4.21Å; Y676-Y699 HydrophobicContact CD2-CG 4.15Å; Y676-Y699 AromaticContact CE1-CD1 3.3Å; Y676-Y699 HydrophobicContact CE1-CD1 3.3Å; Y676-Y699 HydrophobicContact CE1-CD2 4.38Å; Y676-Y699 AromaticContact CE1-CE1 3.23Å; Y676-Y699 HydrophobicContact CE1-CE1 3.23Å; Y676-Y699 HydrophobicContact CE1-CE2 4.34Å; Y676-Y699 AromaticContact CE1-CG 3.91Å; Y676-Y699 HydrophobicContact CE1-CG 3.91Å; Y676-Y699 AromaticContact CE1-CZ 3.8Å; Y676-Y699 HydrophobicContact CE2-CD1 4.01Å; Y676-Y699 HydrophobicContact CE2-CG 4.41Å; Y676-Y699 AromaticContact CG-CD1 3.96Å; Y676-Y699 HydrophobicContact CG-CD1 3.96Å; Y676-Y699 HydrophobicContact CG-CD2 4.07Å; Y676-Y699 AromaticContact CG-CG 3.71Å; Y676-Y699 HydrophobicContact CG-CG 3.71Å; Y676-Y699 AromaticContact CZ-CD1 3.55Å; Y676-Y699 AromaticContact CZ-CE1 3.82Å; Y676-L702 HydrophobicContact CE2-CD1 4.34Å
677Q67.9Low70.4Confident77 Ų7772.7 Ų72.736%0.3634%0.342SS..Hα-helixtrans-66.1-36.1172.2-64.3-179.612.200112.3L675 M680 H681 E703 L706L675-Q677 PolarHBondContact O-N 3.02Å; Q677-M680 PolarHBondContact O-N 3.26Å; Q677-H681 VanDerWaalsContact O-CB 3.27Å; Q677-H681 WeakPolarHBondContact O-CB 3.44Å; Q677-H681 PolarHBondContact O-N 3.14Å; Q677-E703 PolarHBondContact NE2-OE2 3.34Å; Q677-L706 HydrophobicContact CG-CD2 3.77Å
678Q69.6Low70.6Confident104 Ų10471.8 Ų71.849%0.48634%0.336SS..Hα-helixtrans-77-34.6177.3-64.2-65.5-25.600111.7L675 H681 Y682L675-Q678 HydrophobicContact CB-CB 3.99Å; L675-Q678 HydrophobicContact CB-CG 4.11Å; L675-Q678 WeakPolarHBondContact O-CA 3.49Å; L675-Q678 WeakPolarHBondContact O-CB 3.47Å; L675-Q678 PolarHBondContact O-N 2.99Å; Q678-H681 PolarHBondContact O-N 3.38Å; Q678-Y682 VanDerWaalsContact O-CB 3.22Å; Q678-Y682 WeakPolarHBondContact O-CB 3.39Å; Q678-Y682 PolarHBondContact O-N 2.89Å
679I70.9Confident70.5Confident17 Ų1772.4 Ų72.49%0.08734%0.339CS..Hα-helixtrans-61.8-47.6168.3-66.5162.1000109.4Y670 L675 Y676 H681 Y682 H683Y670-I679 WeakPolarHBondContact O-CD1 3.49Å; L675-I679 PolarHBondContact O-N 2.92Å; Y676-I679 HydrophobicContact CD1-CD1 4.18Å; Y676-I679 PolarHBondContact O-N 3.07Å; I679-H681 VanDerWaalsContact C-N 3.35Å; I679-H681 PolarHBondContact O-N 3.49Å; I679-Y682 PolarHBondContact O-N 3.28Å; I679-H683 PolarHBondContact O-CD2 3.11Å; I679-H683 PolarHBondContact O-N 3.3Å
680M69.1Low70.4Confident6 Ų674.4 Ų74.43%0.0336%0.36CS..Hα-helixtrans-61-44.3176.3-165175.5104.600110.5Y676 Q677 H683 M684 V692 L706 Q709Y676-M680 WeakPolarHBondContact O-CB 2.87Å; Y676-M680 PolarHBondContact O-N 2.96Å; Q677-M680 PolarHBondContact O-N 3.26Å; M680-H683 CarbonylContact O-C 3.59Å; M680-H683 PolarHBondContact O-N 2.73Å; M680-M684 HydrophobicContact CE-CE 4.26Å; M680-M684 HydrophobicContact CE-SD 3.63Å; M680-M684 HydrophobicContact CG-CG 4.31Å; M680-M684 HydrophobicContact CG-SD 3.87Å; M680-M684 VanDerWaalsContact O-CB 3.3Å; M680-M684 WeakPolarHBondContact O-CB 3.26Å; M680-M684 WeakPolarHBondContact O-CG 3.43Å; M680-M684 PolarHBondContact O-N 2.88Å; M680-V692 HydrophobicContact CG-CG1 4.07Å; M680-V692 HydrophobicContact SD-CG1 4.21Å; M680-L706 HydrophobicContact SD-CD2 4.37Å; M680-Q709 HydrophobicContact CE-CB 4.14Å
681H70.4Confident70.2Confident91 Ų9177 Ų7742%0.42137%0.372SS..Hα-helixtrans-66.2-38.6177.5-159.365.8000112.5Q677 Q678 I679 M684 Q685Q677-H681 VanDerWaalsContact O-CB 3.27Å; Q677-H681 WeakPolarHBondContact O-CB 3.44Å; Q677-H681 PolarHBondContact O-N 3.14Å; Q678-H681 PolarHBondContact O-N 3.38Å; I679-H681 VanDerWaalsContact C-N 3.35Å; I679-H681 PolarHBondContact O-N 3.49Å; H681-M684 PolarHBondContact O-N 2.93Å; H681-Q685 PolarHBondContact CD2-NE2 3.46Å; H681-Q685 PolarHBondContact NE2-NE2 3.13Å; H681-Q685 WeakPolarHBondContact O-CB 3.28Å; H681-Q685 VanDerWaalsContact O-CG 3.26Å; H681-Q685 WeakPolarHBondContact O-CG 3.16Å; H681-Q685 PolarHBondContact O-N 3.38Å
682Y72.4Confident70.3Confident95 Ų9571 Ų7137%0.37334%0.344SS..Hα-helixtrans-62.3-42.6173.1-178.3-94.3000111.3L667 Q678 I679 N686L667-Y682 HydrophobicContact CD2-CD1 4.48Å; L667-Y682 HydrophobicContact CD2-CE1 3.92Å; Q678-Y682 VanDerWaalsContact O-CB 3.22Å; Q678-Y682 WeakPolarHBondContact O-CB 3.39Å; Q678-Y682 PolarHBondContact O-N 2.89Å; I679-Y682 PolarHBondContact O-N 3.28Å; Y682-N686 WeakPolarHBondContact CE1-ND2 3.36Å; Y682-N686 WeakPolarHBondContact O-CB 3.22Å; Y682-N686 PolarHBondContact O-N 2.9Å; Y682-N686 PolarHBondContact O-ND2 3.02Å
683H73.2Confident70.5Confident41 Ų4168 Ų6819%0.1933%0.332CS..Hα-helixtrans-72.6-32.5174.6-69.1-58.5000113.1I679 M680 N686 E687 E688I679-H683 PolarHBondContact O-CD2 3.11Å; I679-H683 PolarHBondContact O-N 3.3Å; M680-H683 CarbonylContact O-C 3.59Å; M680-H683 PolarHBondContact O-N 2.73Å; H683-N686 CarbonylContact O-C 3.5Å; H683-N686 PolarHBondContact O-N 3.36Å; H683-E687 PolarHBondContact O-N 3.41Å; H683-E687 VanDerWaalsContact O-N 3.12Å; H683-E688 IonicContact CE1-OE2 3.5Å; H683-E688 IonicContact CG-OE2 2.72Å; H683-E688 IonicContact ND1-OE2 3.16Å; H683-E688 PolarHBondContact ND1-OE2 2.93Å; H683-E688 PolarHBondContact O-N 3.36Å
684M73.1Confident70.9Confident41 Ų4170.3 Ų70.320%0.20234%0.338CS..Hα-helixtrans-68.8-38.6174-71.8166.793.100111.8M680 H681 N686 E687 V692 Y713M680-M684 HydrophobicContact CE-CE 4.26Å; M680-M684 HydrophobicContact CE-SD 3.63Å; M680-M684 HydrophobicContact CG-CG 4.31Å; M680-M684 HydrophobicContact CG-SD 3.87Å; M680-M684 VanDerWaalsContact O-CB 3.3Å; M680-M684 WeakPolarHBondContact O-CB 3.26Å; M680-M684 WeakPolarHBondContact O-CG 3.43Å; M680-M684 PolarHBondContact O-N 2.88Å; H681-M684 PolarHBondContact O-N 2.93Å; M684-N686 VanDerWaalsContact C-N 3.27Å; M684-N686 PolarHBondContact O-N 3.26Å; M684-E687 PolarHBondContact O-N 3.1Å; M684-V692 HydrophobicContact CG-CG2 4.01Å; M684-Y713 HydrophobicContact CE-CD1 4.18Å; M684-Y713 HydrophobicContact CE-CD2 3.19Å; M684-Y713 HydrophobicContact CE-CE2 3.61Å; M684-Y713 HydrophobicContact CE-CG 3.52Å
685Q70.7Confident71.2Confident129 Ų12964 Ų6460%0.60331%0.312SS*.Hα-helixtrans-67.6-27.9174-76.2179.51.800112.3H681H681-Q685 PolarHBondContact CD2-NE2 3.46Å; H681-Q685 PolarHBondContact NE2-NE2 3.13Å; H681-Q685 WeakPolarHBondContact O-CB 3.28Å; H681-Q685 VanDerWaalsContact O-CG 3.26Å; H681-Q685 WeakPolarHBondContact O-CG 3.16Å; H681-Q685 PolarHBondContact O-N 3.38Å
686N70.4Confident71.2Confident85 Ų8560.5 Ų60.546%0.45529%0.294SS..THydrogen-bonded Turntrans-95.78.5177.3-67.3-45.3000113.8Y682 H683 M684 E688Y682-N686 WeakPolarHBondContact CE1-ND2 3.36Å; Y682-N686 WeakPolarHBondContact O-CB 3.22Å; Y682-N686 PolarHBondContact O-N 2.9Å; Y682-N686 PolarHBondContact O-ND2 3.02Å; H683-N686 CarbonylContact O-C 3.5Å; H683-N686 PolarHBondContact O-N 3.36Å; M684-N686 VanDerWaalsContact C-N 3.27Å; M684-N686 PolarHBondContact O-N 3.26Å; N686-E688 HydrophobicContact CB-CG 4.44Å; N686-E688 PolarHBondContact O-N 2.94Å
687E67.9Low71.3Confident142 Ų14263.6 Ų63.666%0.66431%0.308SS*.THydrogen-bonded Turntrans61.233.5175.3-58.1-173.7160.600116.9H683 M684 Y689H683-E687 PolarHBondContact O-N 3.41Å; H683-E687 VanDerWaalsContact O-N 3.12Å; M684-E687 PolarHBondContact O-N 3.1Å; E687-Y689 PolarHBondContact O-N 2.98Å
688E74.8Confident71.4Confident65 Ų6568.4 Ų68.430%0.30432%0.323SS..  trans-97.577-175.8-56.8-174.9127.100114H683 N686 G690 K691 V692H683-E688 IonicContact CE1-OE2 3.5Å; H683-E688 IonicContact CG-OE2 2.72Å; H683-E688 IonicContact ND1-OE2 3.16Å; H683-E688 PolarHBondContact ND1-OE2 2.93Å; H683-E688 PolarHBondContact O-N 3.36Å; N686-E688 HydrophobicContact CB-CG 4.44Å; N686-E688 PolarHBondContact O-N 2.94Å; E688-G690 PolarHBondContact O-N 3.41Å; E688-K691 HydrophobicContact CB-CB 4.26Å; E688-K691 HydrophobicContact CB-CD 4.11Å; E688-K691 HydrophobicContact CB-CG 4.48Å; E688-K691 PolarHBondContact O-N 3.21Å; E688-K691 IonicContact OE1-NZ 3.69Å; E688-K691 PolarHBondContact OE1-NZ 3.23Å; E688-K691 VanDerWaalsContact OE2-CD 3.22Å; E688-K691 WeakPolarHBondContact OE2-CD 3.35Å; E688-K691 IonicContact OE2-NZ 3.42Å; E688-K691 PolarHBondContact OE2-NZ 2.82Å; E688-K691 VanDerWaalsContact OE2-NZ 3.12Å; E688-V692 PolarHBondContact O-N 2.7Å
689Y69.3Low71.4Confident95 Ų9565.9 Ų65.937%0.37331%0.309SS..Hα-helixtrans-56.8-40.1-172.2-54.3-74.6000116.2E687 K691 V692 V693 Y713E687-Y689 PolarHBondContact O-N 2.98Å; Y689-K691 VanDerWaalsContact C-N 3.35Å; Y689-K691 PolarHBondContact O-N 3.39Å; Y689-V692 PolarHBondContact O-N 3.46Å; Y689-V693 PolarHBondContact O-N 3.37Å; Y689-Y713 HydrophobicContact CD1-CE1 4.35Å; Y689-Y713 WeakPolarHBondContact CE1-OH 3.49Å
690G69Low71Confident44 Ų4465.1 Ų65.145%0.45431%0.305SS..Hα-helixtrans-65.5-38.4179.900000112.5E688 V692 V693 D694E688-G690 PolarHBondContact O-N 3.41Å; G690-V692 VanDerWaalsContact C-N 3.27Å; G690-V692 PolarHBondContact O-N 3.12Å; G690-V693 PolarHBondContact O-N 3.34Å; G690-D694 PolarHBondContact O-N 2.92Å
691K71.3Confident70.8Confident103 Ų10370.7 Ų70.745%0.44834%0.335SS..Hα-helixtrans-71.7-21.3178.6-67.6178.1-174.4169.80112.6E688 Y689 A695E688-K691 HydrophobicContact CB-CB 4.26Å; E688-K691 HydrophobicContact CB-CD 4.11Å; E688-K691 HydrophobicContact CB-CG 4.48Å; E688-K691 PolarHBondContact O-N 3.21Å; E688-K691 IonicContact OE1-NZ 3.69Å; E688-K691 PolarHBondContact OE1-NZ 3.23Å; E688-K691 VanDerWaalsContact OE2-CD 3.22Å; E688-K691 WeakPolarHBondContact OE2-CD 3.35Å; E688-K691 IonicContact OE2-NZ 3.42Å; E688-K691 PolarHBondContact OE2-NZ 2.82Å; E688-K691 VanDerWaalsContact OE2-NZ 3.12Å; Y689-K691 VanDerWaalsContact C-N 3.35Å; Y689-K691 PolarHBondContact O-N 3.39Å; K691-A695 WeakPolarHBondContact O-CB 3.43Å; K691-A695 PolarHBondContact O-N 3.44Å
692V73.4Confident70.3Confident2 Ų272.4 Ų72.41%0.01235%0.346CS..Hα-helixtrans-71.9-46.9173.8176.30000111.1M680 M684 E688 Y689 G690 D694 A695 C696M680-V692 HydrophobicContact CG-CG1 4.07Å; M680-V692 HydrophobicContact SD-CG1 4.21Å; M684-V692 HydrophobicContact CG-CG2 4.01Å; E688-V692 PolarHBondContact O-N 2.7Å; Y689-V692 PolarHBondContact O-N 3.46Å; G690-V692 VanDerWaalsContact C-N 3.27Å; G690-V692 PolarHBondContact O-N 3.12Å; V692-D694 VanDerWaalsContact C-N 3.35Å; V692-A695 WeakPolarHBondContact O-CB 3.49Å; V692-A695 PolarHBondContact O-N 3.22Å; V692-C696 PolarHBondContact O-N 3.47Å; V692-C696 PolarHBondContact O-SG 3.34Å
693V71.9Confident70Confident14 Ų1471.1 Ų71.19%0.08534%0.344CS..Hα-helixtrans-67.8-37.8176.2-179.90000110.8Y689 G690 A695 C696 K697 F714 Y724Y689-V693 PolarHBondContact O-N 3.37Å; G690-V693 PolarHBondContact O-N 3.34Å; V693-A695 VanDerWaalsContact C-N 3.33Å; V693-C696 CarbonylContact O-C 3.59Å; V693-C696 PolarHBondContact O-N 3.31Å; V693-K697 HydrophobicContact CG1-CD 4.25Å; V693-K697 HydrophobicContact CG1-CG 4.48Å; V693-K697 WeakPolarHBondContact O-CG 3.45Å; V693-K697 PolarHBondContact O-N 3.23Å; V693-F714 HydrophobicContact CG2-CE2 4.24Å; V693-F714 HydrophobicContact CG2-CZ 3.73Å; V693-Y724 HydrophobicContact CG1-CD1 4.38Å; V693-Y724 HydrophobicContact CG2-CD1 3.73Å; V693-Y724 HydrophobicContact CG2-CE1 3.96Å; V693-Y724 HydrophobicContact CG2-CG 4.48Å
694D74Confident69.6Low77 Ų7770.4 Ų70.441%0.41235%0.348SS..Hα-helixtrans-65.1-36.9173.8-73.7-17.2000112.1G690 V692 K697 R698G690-D694 PolarHBondContact O-N 2.92Å; V692-D694 VanDerWaalsContact C-N 3.35Å; D694-K697 PolarHBondContact O-N 2.95Å; D694-R698 WeakPolarHBondContact O-CB 3.23Å; D694-R698 VanDerWaalsContact O-CG 3.22Å; D694-R698 WeakPolarHBondContact O-CG 3.46Å; D694-R698 PolarHBondContact O-N 2.95Å
695A70.7Confident69.3Low9 Ų970.5 Ų70.57%0.07435%0.352CS..Hα-helixtrans-64.6-42.2170.900000111.3K691 V692 V693 K697 R698 Y699K691-A695 WeakPolarHBondContact O-CB 3.43Å; K691-A695 PolarHBondContact O-N 3.44Å; V692-A695 WeakPolarHBondContact O-CB 3.49Å; V692-A695 PolarHBondContact O-N 3.22Å; V693-A695 VanDerWaalsContact C-N 3.33Å; A695-K697 PolarHBondContact O-N 3.28Å; A695-R698 PolarHBondContact O-N 3.09Å; A695-Y699 HydrophobicContact CB-CD2 4.1Å; A695-Y699 HydrophobicContact CB-CE2 4.38Å; A695-Y699 VanDerWaalsContact O-CB 3.31Å; A695-Y699 WeakPolarHBondContact O-CB 3.37Å; A695-Y699 WeakPolarHBondContact O-CD2 3.3Å; A695-Y699 PolarHBondContact O-N 3.31Å
696C72.8Confident69.4Low2 Ų264.5 Ų64.51%0.01432%0.324CS..Hα-helixtrans-65.1-36.3174.1-65.80000112.7V692 V693 G700 W707V692-C696 PolarHBondContact O-N 3.47Å; V692-C696 PolarHBondContact O-SG 3.34Å; V693-C696 CarbonylContact O-C 3.59Å; V693-C696 PolarHBondContact O-N 3.31Å; C696-G700 WeakPolarHBondContact O-CA 3.32Å; C696-G700 PolarHBondContact O-N 3.05Å; C696-W707 HydrophobicContact CB-CH2 4.24Å; C696-W707 HydrophobicContact CB-CZ3 4.25Å; C696-W707 WeakPolarHBondContact O-CZ2 3.47Å
697K73.6Confident69.6Low97 Ų9761 Ų6142%0.42230%0.304SS..Hα-helixtrans-70-38.4175.2-74.7177.8178.4-175.30112.4V693 D694 A695 W707 E727V693-K697 HydrophobicContact CG1-CD 4.25Å; V693-K697 HydrophobicContact CG1-CG 4.48Å; V693-K697 WeakPolarHBondContact O-CG 3.45Å; V693-K697 PolarHBondContact O-N 3.23Å; D694-K697 PolarHBondContact O-N 2.95Å; A695-K697 PolarHBondContact O-N 3.28Å; K697-W707 HydrophobicContact CG-CH2 4.48Å; K697-E727 WeakPolarHBondContact CE-OE1 3.47Å; K697-E727 IonicContact NZ-OE1 2.68Å; K697-E727 PolarHBondContact NZ-OE1 3.25Å; K697-E727 IonicContact NZ-OE2 3.34Å
698R69.8Low69.8Low178 Ų17857.9 Ų57.967%0.67229%0.29SS*.Hα-helixtrans-76.8-34.1179.5-72178.4-168.4-170.25.6113D694 A695D694-R698 WeakPolarHBondContact O-CB 3.23Å; D694-R698 VanDerWaalsContact O-CG 3.22Å; D694-R698 WeakPolarHBondContact O-CG 3.46Å; D694-R698 PolarHBondContact O-N 2.95Å; A695-R698 PolarHBondContact O-N 3.09Å
699Y70.8Confident69.7Low51 Ų5158.7 Ų58.720%0.229%0.293CS..Hα-helixtrans-118.5-9.7-170-51.4-59.5000114.1Y676 A695 D701 L702 E703Y676-Y699 AromaticContact CD1-CD1 3.5Å; Y676-Y699 HydrophobicContact CD1-CD1 3.5Å; Y676-Y699 AromaticContact CD1-CD2 3.77Å; Y676-Y699 HydrophobicContact CD1-CD2 3.77Å; Y676-Y699 AromaticContact CD1-CE1 3.62Å; Y676-Y699 HydrophobicContact CD1-CE1 3.62Å; Y676-Y699 AromaticContact CD1-CE2 3.9Å; Y676-Y699 HydrophobicContact CD1-CE2 3.9Å; Y676-Y699 AromaticContact CD1-CG 3.58Å; Y676-Y699 HydrophobicContact CD1-CG 3.58Å; Y676-Y699 AromaticContact CD1-CZ 3.82Å; Y676-Y699 HydrophobicContact CD2-CD1 4.21Å; Y676-Y699 HydrophobicContact CD2-CG 4.15Å; Y676-Y699 AromaticContact CE1-CD1 3.3Å; Y676-Y699 HydrophobicContact CE1-CD1 3.3Å; Y676-Y699 HydrophobicContact CE1-CD2 4.38Å; Y676-Y699 AromaticContact CE1-CE1 3.23Å; Y676-Y699 HydrophobicContact CE1-CE1 3.23Å; Y676-Y699 HydrophobicContact CE1-CE2 4.34Å; Y676-Y699 AromaticContact CE1-CG 3.91Å; Y676-Y699 HydrophobicContact CE1-CG 3.91Å; Y676-Y699 AromaticContact CE1-CZ 3.8Å; Y676-Y699 HydrophobicContact CE2-CD1 4.01Å; Y676-Y699 HydrophobicContact CE2-CG 4.41Å; Y676-Y699 AromaticContact CG-CD1 3.96Å; Y676-Y699 HydrophobicContact CG-CD1 3.96Å; Y676-Y699 HydrophobicContact CG-CD2 4.07Å; Y676-Y699 AromaticContact CG-CG 3.71Å; Y676-Y699 HydrophobicContact CG-CG 3.71Å; Y676-Y699 AromaticContact CZ-CD1 3.55Å; Y676-Y699 AromaticContact CZ-CE1 3.82Å; A695-Y699 HydrophobicContact CB-CD2 4.1Å; A695-Y699 HydrophobicContact CB-CE2 4.38Å; A695-Y699 VanDerWaalsContact O-CB 3.31Å; A695-Y699 WeakPolarHBondContact O-CB 3.37Å; A695-Y699 WeakPolarHBondContact O-CD2 3.3Å; A695-Y699 PolarHBondContact O-N 3.31Å; Y699-D701 PolarHBondContact O-N 3.29Å; Y699-L702 WeakPolarHBondContact O-CB 3.31Å; Y699-L702 PolarHBondContact O-N 3.26Å; Y699-L702 VanDerWaalsContact O-N 3.12Å; Y699-E703 PolarHBondContact O-N 3.14Å
700G62.5Low69.9Low0 Ų054.2 Ų54.20%028%0.276CS..THydrogen-bonded Turntrans-78.4-11.2-175.300000115.8C696 L702 W707C696-G700 WeakPolarHBondContact O-CA 3.32Å; C696-G700 PolarHBondContact O-N 3.05Å; G700-L702 VanDerWaalsContact C-N 3.28Å; G700-W707 VanDerWaalsContact C-NE1 3.3Å; G700-W707 VanDerWaalsContact O-CD1 3.32Å; G700-W707 PolarHBondContact O-NE1 3.33Å
701D64Low70.1Confident124 Ų12452.1 Ų52.166%0.66325%0.254SS*.THydrogen-bonded Turntrans-74.6-23165.2-77.5-34.1000112.3Y699 K735Y699-D701 PolarHBondContact O-N 3.29Å; D701-K735 IonicContact OD1-NZ 4Å; D701-K735 PolarHBondContact OD1-NZ 3.46Å
702L60.8Low70.1Confident126 Ų12648.2 Ų48.266%0.6624%0.243SC*.THydrogen-bonded Turntrans-89.4-38.6-179-62.5166.8000111.9Y676 Y699 G700Y676-L702 HydrophobicContact CE2-CD1 4.34Å; Y699-L702 WeakPolarHBondContact O-CB 3.31Å; Y699-L702 PolarHBondContact O-N 3.26Å; Y699-L702 VanDerWaalsContact O-N 3.12Å; G700-L702 VanDerWaalsContact C-N 3.28Å
703E65.9Low70.1Confident69 Ų6950 Ų5032%0.32225%0.25SS..  trans-124.8104.2175.9-79.6-164.1173.300111.1Q677 Y699 C705 L706Q677-E703 PolarHBondContact NE2-OE2 3.34Å; Y699-E703 PolarHBondContact O-N 3.14Å; E703-C705 PolarHBondContact O-N 3.49Å; E703-L706 HydrophobicContact CB-CD1 3.85Å; E703-L706 HydrophobicContact CB-CG 3.77Å; E703-L706 WeakPolarHBondContact O-CB 3.48Å; E703-L706 PolarHBondContact O-N 3.29Å; E703-L706 VanDerWaalsContact O-N 3.1Å
704G63.8Low70.1Confident26 Ų2649.8 Ų49.827%0.26825%0.248SC..Hα-helixtrans-60.6-25.9176.100000113.7L706 W707G704-L706 VanDerWaalsContact C-N 3.28Å; G704-L706 PolarHBondContact O-N 2.92Å; G704-W707 WeakPolarHBondContact O-CB 3.07Å; G704-W707 PolarHBondContact O-N 3.43Å
705C68.2Low69.8Low42 Ų4246.3 Ų46.328%0.28423%0.231SC..Hα-helixtrans-70.3-19176.759.60000113.6E703 W707 E708 Q709E703-C705 PolarHBondContact O-N 3.49Å; C705-W707 PolarHBondContact O-N 2.88Å; C705-E708 PolarHBondContact O-N 2.94Å; C705-Q709 WeakPolarHBondContact O-CB 3.29Å; C705-Q709 WeakPolarHBondContact O-CG 3.31Å; C705-Q709 PolarHBondContact O-N 3.3Å
706L73.4Confident69.7Low3 Ų356.4 Ų56.42%0.01627%0.267CS..Hα-helixtrans-65.1-33172.2-66.5174.4000110.9Q677 M680 E703 G704 A710Q677-L706 HydrophobicContact CG-CD2 3.77Å; M680-L706 HydrophobicContact SD-CD2 4.37Å; E703-L706 HydrophobicContact CB-CD1 3.85Å; E703-L706 HydrophobicContact CB-CG 3.77Å; E703-L706 WeakPolarHBondContact O-CB 3.48Å; E703-L706 PolarHBondContact O-N 3.29Å; E703-L706 VanDerWaalsContact O-N 3.1Å; G704-L706 VanDerWaalsContact C-N 3.28Å; G704-L706 PolarHBondContact O-N 2.92Å; L706-A710 WeakPolarHBondContact O-CB 3.15Å; L706-A710 PolarHBondContact O-N 2.9Å
707W74.6Confident69.4Low11 Ų1160.1 Ų60.14%0.04228%0.282CS..Hα-helixtrans-71.1-34.5173.8-65.5105.4000112C696 K697 G700 G704 C705 L711 V728C696-W707 HydrophobicContact CB-CH2 4.24Å; C696-W707 HydrophobicContact CB-CZ3 4.25Å; C696-W707 WeakPolarHBondContact O-CZ2 3.47Å; K697-W707 HydrophobicContact CG-CH2 4.48Å; G700-W707 VanDerWaalsContact C-NE1 3.3Å; G700-W707 VanDerWaalsContact O-CD1 3.32Å; G700-W707 PolarHBondContact O-NE1 3.33Å; G704-W707 WeakPolarHBondContact O-CB 3.07Å; G704-W707 PolarHBondContact O-N 3.43Å; C705-W707 PolarHBondContact O-N 2.88Å; W707-L711 VanDerWaalsContact O-CB 3.23Å; W707-L711 WeakPolarHBondContact O-CB 3.31Å; W707-L711 PolarHBondContact O-N 2.83Å; W707-V728 HydrophobicContact CB-CG1 4.42Å; W707-V728 HydrophobicContact CE3-CB 4.19Å; W707-V728 HydrophobicContact CE3-CG1 4.05Å; W707-V728 HydrophobicContact CE3-CG2 3.8Å; W707-V728 HydrophobicContact CZ3-CG2 3.9Å; W707-V728 WeakPolarHBondContact O-CG1 3.4Å
708E72.1Confident68.5Low78 Ų7863.4 Ų63.436%0.36430%0.3SS..Hα-helixtrans-69.3-42.5173.6-60.7177176.700111.9C705 L711 G712 M738C705-E708 PolarHBondContact O-N 2.94Å; E708-L711 PolarHBondContact O-N 2.94Å; E708-G712 PolarHBondContact O-N 2.98Å; E708-M738 HydrophobicContact CG-CE 4.29Å; E708-M738 HydrophobicContact CG-CG 4.32Å; E708-M738 HydrophobicContact CG-SD 4.1Å
709Q72.4Confident68.1Low81 Ų8161.3 Ų61.338%0.37930%0.297SS..Hα-helixtrans-69.2-38.3176.6-71.9-178.9-3.400112M680 C705 G712 Y713M680-Q709 HydrophobicContact CE-CB 4.14Å; C705-Q709 WeakPolarHBondContact O-CB 3.29Å; C705-Q709 WeakPolarHBondContact O-CG 3.31Å; C705-Q709 PolarHBondContact O-N 3.3Å; Q709-G712 PolarHBondContact O-N 3.41Å; Q709-Y713 WeakPolarHBondContact O-CB 3.29Å; Q709-Y713 PolarHBondContact O-N 3.45Å
710A72.3Confident67.6Low1 Ų164.8 Ų64.81%0.00832%0.319CS..Hα-helixtrans-63.7-47.2170.900000110.7L706 G712 Y713 F714L706-A710 WeakPolarHBondContact O-CB 3.15Å; L706-A710 PolarHBondContact O-N 2.9Å; A710-G712 VanDerWaalsContact C-N 3.29Å; A710-G712 PolarHBondContact O-N 3.34Å; A710-Y713 PolarHBondContact O-N 2.8Å; A710-F714 HydrophobicContact CB-CD2 4.28Å; A710-F714 HydrophobicContact CB-CE2 4.13Å; A710-F714 WeakPolarHBondContact O-CB 3.5Å; A710-F714 WeakPolarHBondContact O-CD2 3.44Å; A710-F714 WeakPolarHBondContact O-CG 3.3Å; A710-F714 PolarHBondContact O-N 3.26Å
711L73.3Confident67.6Low0 Ų065.5 Ų65.50%032%0.324CS..Hα-helixtrans-59.4-41.5175.2-170.167.1000111.1W707 E708 A715 I725 V728 L729 I732 M738 T746 L747W707-L711 VanDerWaalsContact O-CB 3.23Å; W707-L711 WeakPolarHBondContact O-CB 3.31Å; W707-L711 PolarHBondContact O-N 2.83Å; E708-L711 PolarHBondContact O-N 2.94Å; L711-A715 WeakPolarHBondContact O-CA 3.46Å; L711-A715 WeakPolarHBondContact O-CB 3.46Å; L711-A715 PolarHBondContact O-N 3.3Å; L711-I725 HydrophobicContact CD1-CG2 4.15Å; L711-V728 HydrophobicContact CB-CG1 3.84Å; L711-V728 HydrophobicContact CD1-CB 4.45Å; L711-V728 HydrophobicContact CD1-CG1 3.97Å; L711-V728 HydrophobicContact CG-CG1 4.41Å; L711-L729 HydrophobicContact CD2-CD2 4.42Å; L711-I732 HydrophobicContact CD2-CD1 3.83Å; L711-M738 HydrophobicContact CD2-CE 3.62Å; L711-T746 HydrophobicContact CD2-CG2 4.31Å; L711-T746 HydrophobicContact CG-CG2 4.47Å; L711-L747 HydrophobicContact CD1-CD2 4.14Å
712G72.5Confident67.7Low21 Ų2165 Ų6522%0.21632%0.316CS..Hα-helixtrans-67-37.2175.700000113.8E708 Q709 A710 R716E708-G712 PolarHBondContact O-N 2.98Å; Q709-G712 PolarHBondContact O-N 3.41Å; A710-G712 VanDerWaalsContact C-N 3.29Å; A710-G712 PolarHBondContact O-N 3.34Å; G712-R716 VanDerWaalsContact O-CG 3.25Å; G712-R716 WeakPolarHBondContact O-CG 3.43Å; G712-R716 PolarHBondContact O-N 3.44Å
713Y73.1Confident68.1Low39 Ų3963.7 Ų63.715%0.15331%0.314CS..Hα-helixtrans-68.4-47174.7177.1-110.5000111.5M684 Y689 Q709 A710 A715 R716M684-Y713 HydrophobicContact CE-CD1 4.18Å; M684-Y713 HydrophobicContact CE-CD2 3.19Å; M684-Y713 HydrophobicContact CE-CE2 3.61Å; M684-Y713 HydrophobicContact CE-CG 3.52Å; Y689-Y713 HydrophobicContact CD1-CE1 4.35Å; Y689-Y713 WeakPolarHBondContact CE1-OH 3.49Å; Q709-Y713 WeakPolarHBondContact O-CB 3.29Å; Q709-Y713 PolarHBondContact O-N 3.45Å; A710-Y713 PolarHBondContact O-N 2.8Å; Y713-A715 VanDerWaalsContact C-N 3.35Å; Y713-R716 PolarHBondContact O-N 2.89Å
714F71.2Confident68.3Low10 Ų1065.3 Ų65.34%0.04432%0.318CS..Hα-helixtrans-69.3-30.3176.2-67-57.4000112.6V693 A710 R716 C721 I725V693-F714 HydrophobicContact CG2-CE2 4.24Å; V693-F714 HydrophobicContact CG2-CZ 3.73Å; A710-F714 HydrophobicContact CB-CD2 4.28Å; A710-F714 HydrophobicContact CB-CE2 4.13Å; A710-F714 WeakPolarHBondContact O-CB 3.5Å; A710-F714 WeakPolarHBondContact O-CD2 3.44Å; A710-F714 WeakPolarHBondContact O-CG 3.3Å; A710-F714 PolarHBondContact O-N 3.26Å; F714-R716 VanDerWaalsContact C-N 3.28Å; F714-R716 PolarHBondContact O-N 3.5Å; F714-C721 HydrophobicContact CB-CB 4.49Å; F714-C721 HydrophobicContact CD1-CB 4.27Å; F714-I725 HydrophobicContact CB-CG1 4.1Å
715A67.4Low68.7Low5 Ų564.8 Ų64.84%0.04131%0.308CS..Hα-helixtrans-69.6-23.1174.400000113.4L711 Y713 N750L711-A715 WeakPolarHBondContact O-CA 3.46Å; L711-A715 WeakPolarHBondContact O-CB 3.46Å; L711-A715 PolarHBondContact O-N 3.3Å; Y713-A715 VanDerWaalsContact C-N 3.35Å; A715-N750 WeakPolarHBondContact O-CB 3.15Å; A715-N750 PolarHBondContact O-ND2 3.26Å
716R69.1Low68.9Low220 Ų22065.6 Ų65.683%0.8332%0.315SS*.THydrogen-bonded Turntrans-91.5-9.9179.6-73174.3-174.6-171.93.3114.3G712 Y713 F714G712-R716 VanDerWaalsContact O-CG 3.25Å; G712-R716 WeakPolarHBondContact O-CG 3.43Å; G712-R716 PolarHBondContact O-N 3.44Å; Y713-R716 PolarHBondContact O-N 2.89Å; F714-R716 VanDerWaalsContact C-N 3.28Å; F714-R716 PolarHBondContact O-N 3.5Å
717K65.8Low68.9Low80 Ų8068.8 Ų68.835%0.34833%0.329SS..  trans-94.9137.9-179.5-70.1-71.8-173.7175.20110.1E719K717-E719 VanDerWaalsContact C-N 3.35Å
718E56.4Low69Low167 Ų16768.5 Ų68.578%0.7833%0.329SS*.  trans-87.82.9-176.2-63-174.9166.500113.8
719E61.2Low69.1Low133 Ų13366 Ų6662%0.62132%0.318SS*.SBendtrans-89.1156.2178-64.6-177.5173.500112.2K717 C721K717-E719 VanDerWaalsContact C-N 3.35Å; E719-C721 VanDerWaalsContact C-N 3.32Å; E719-C721 PolarHBondContact O-N 3.41Å; E719-C721 PolarHBondContact O-SG 3.23Å; E719-C721 VanDerWaalsContact O-SG 3.33Å
720D59.8Low69.3Low124 Ų12467.2 Ų67.266%0.66332%0.323SS*.  trans-61.581.6-178.4-96.8-39.7000112.6K722D720-K722 WeakPolarHBondContact OD1-CE 3.2Å; D720-K722 IonicContact OD1-NZ 3.26Å; D720-K722 PolarHBondContact OD1-NZ 2.82Å
721C63.5Low69.3Low16 Ų1669.9 Ų69.911%0.10834%0.335CS..  trans-96.221.6179.5-62.60000113.3F714 E719 T723 Y724 I725F714-C721 HydrophobicContact CB-CB 4.49Å; F714-C721 HydrophobicContact CD1-CB 4.27Å; E719-C721 VanDerWaalsContact C-N 3.32Å; E719-C721 PolarHBondContact O-N 3.41Å; E719-C721 PolarHBondContact O-SG 3.23Å; E719-C721 VanDerWaalsContact O-SG 3.33Å; C721-T723 VanDerWaalsContact C-N 3.32Å; C721-T723 PolarHBondContact O-N 3.18Å; C721-Y724 PolarHBondContact O-N 3.37Å; C721-I725 HydrophobicContact CB-CD1 4.13Å; C721-I725 HydrophobicContact CB-CG1 4.41Å; C721-I725 WeakPolarHBondContact O-CG1 3.29Å; C721-I725 PolarHBondContact O-N 3.33Å
722K64.5Low69.4Low112 Ų11270 Ų7049%0.48734%0.336SS..Hα-helixtrans-57.2-40.3-171.1-68.5173.2-177.7136.40113.5D720 I725 S726D720-K722 WeakPolarHBondContact OD1-CE 3.2Å; D720-K722 IonicContact OD1-NZ 3.26Å; D720-K722 PolarHBondContact OD1-NZ 2.82Å; K722-I725 PolarHBondContact O-N 3.06Å; K722-S726 PolarHBondContact O-N 3.37Å; K722-S726 PolarHBondContact O-OG 2.97Å
723T69Low69.3Low100 Ų10071 Ų7161%0.61334%0.337SS*.Hα-helixtrans-65.2-45.5179.647.30000111.8C721 E727C721-T723 VanDerWaalsContact C-N 3.32Å; C721-T723 PolarHBondContact O-N 3.18Å; T723-E727 PolarHBondContact O-N 3.49Å
724Y70.9Confident69.2Low103 Ų10375.2 Ų75.240%0.40436%0.358SS..Hα-helixtrans-68.7-36178.3-58.4-66.2000111.8V693 C721 V728V693-Y724 HydrophobicContact CG1-CD1 4.38Å; V693-Y724 HydrophobicContact CG2-CD1 3.73Å; V693-Y724 HydrophobicContact CG2-CE1 3.96Å; V693-Y724 HydrophobicContact CG2-CG 4.48Å; C721-Y724 PolarHBondContact O-N 3.37Å; Y724-V728 WeakPolarHBondContact O-CB 3.37Å; Y724-V728 WeakPolarHBondContact O-CG2 3.37Å; Y724-V728 PolarHBondContact O-N 3.44Å
725I73Confident69Low14 Ų1478.7 Ų78.77%0.07237%0.373CS..Hα-helixtrans-69-43.4178-66.8166.9000111.9L711 F714 C721 K722 V728 L729 L747L711-I725 HydrophobicContact CD1-CG2 4.15Å; F714-I725 HydrophobicContact CB-CG1 4.1Å; C721-I725 HydrophobicContact CB-CD1 4.13Å; C721-I725 HydrophobicContact CB-CG1 4.41Å; C721-I725 WeakPolarHBondContact O-CG1 3.29Å; C721-I725 PolarHBondContact O-N 3.33Å; K722-I725 PolarHBondContact O-N 3.06Å; I725-V728 PolarHBondContact O-N 3.33Å; I725-L729 HydrophobicContact CG2-CD1 3.93Å; I725-L729 HydrophobicContact CG2-CG 4.38Å; I725-L729 WeakPolarHBondContact O-CB 3.22Å; I725-L729 WeakPolarHBondContact O-CG 3.47Å; I725-L729 PolarHBondContact O-N 3Å; I725-L747 HydrophobicContact CG2-CD2 3.98Å
726S72Confident69Low60 Ų6082.6 Ų82.642%0.4239%0.393SS..Hα-helixtrans-64.9-38.5177-67.80000112.6K722 L729 H730K722-S726 PolarHBondContact O-N 3.37Å; K722-S726 PolarHBondContact O-OG 2.97Å; S726-L729 PolarHBondContact O-N 2.91Å; S726-H730 PolarHBondContact O-N 3.1Å; S726-H730 VanDerWaalsContact O-N 3.13Å
727E73.6Confident69Low69 Ų6974.7 Ų74.732%0.32237%0.367SS..Hα-helixtrans-64.2-43.5175.8-165.5173.1-178.800110.8K697 T723 H731K697-E727 WeakPolarHBondContact CE-OE1 3.47Å; K697-E727 IonicContact NZ-OE1 2.68Å; K697-E727 PolarHBondContact NZ-OE1 3.25Å; K697-E727 IonicContact NZ-OE2 3.34Å; T723-E727 PolarHBondContact O-N 3.49Å; E727-H731 PolarHBondContact O-CD2 2.88Å
728V76.3Confident69.1Low6 Ų671.4 Ų71.44%0.03635%0.353CS..Hα-helixtrans-65-41.7176.4175.10000111.9W707 L711 Y724 I725 H731 I732W707-V728 HydrophobicContact CB-CG1 4.42Å; W707-V728 HydrophobicContact CE3-CB 4.19Å; W707-V728 HydrophobicContact CE3-CG1 4.05Å; W707-V728 HydrophobicContact CE3-CG2 3.8Å; W707-V728 HydrophobicContact CZ3-CG2 3.9Å; W707-V728 WeakPolarHBondContact O-CG1 3.4Å; L711-V728 HydrophobicContact CB-CG1 3.84Å; L711-V728 HydrophobicContact CD1-CB 4.45Å; L711-V728 HydrophobicContact CD1-CG1 3.97Å; L711-V728 HydrophobicContact CG-CG1 4.41Å; Y724-V728 WeakPolarHBondContact O-CB 3.37Å; Y724-V728 WeakPolarHBondContact O-CG2 3.37Å; Y724-V728 PolarHBondContact O-N 3.44Å; I725-V728 PolarHBondContact O-N 3.33Å; V728-H731 PolarHBondContact O-N 2.86Å; V728-I732 HydrophobicContact CG1-CD1 3.76Å; V728-I732 WeakPolarHBondContact O-CD1 3.21Å; V728-I732 WeakPolarHBondContact O-CG1 3.48Å; V728-I732 PolarHBondContact O-N 2.95Å
729L73.9Confident69.8Low24 Ų2467.1 Ų67.113%0.12634%0.34CS..Hα-helixtrans-67.2-37.5-179.4-79.4173.2000114.2L711 I725 S726 H731 I732 D733 V743 L747 V757L711-L729 HydrophobicContact CD2-CD2 4.42Å; I725-L729 HydrophobicContact CG2-CD1 3.93Å; I725-L729 HydrophobicContact CG2-CG 4.38Å; I725-L729 WeakPolarHBondContact O-CB 3.22Å; I725-L729 WeakPolarHBondContact O-CG 3.47Å; I725-L729 PolarHBondContact O-N 3Å; S726-L729 PolarHBondContact O-N 2.91Å; L729-H731 VanDerWaalsContact C-N 3.29Å; L729-H731 PolarHBondContact O-N 3.45Å; L729-I732 HydrophobicContact CD2-CD1 4.42Å; L729-I732 PolarHBondContact O-N 3.23Å; L729-D733 PolarHBondContact O-N 2.88Å; L729-D733 VanDerWaalsContact O-N 3.14Å; L729-V743 HydrophobicContact CD2-CG1 3.57Å; L729-L747 HydrophobicContact CD1-CD1 3.87Å; L729-L747 HydrophobicContact CD2-CD1 4.04Å; L729-L747 HydrophobicContact CG-CD1 4.45Å; L729-V757 HydrophobicContact CD1-CG1 3.62Å
730H75.8Confident70.3Confident107 Ų10762.6 Ų62.650%0.49532%0.322SS..Hα-helixtrans-61.8-40.4176.4-172.966.9000111.6S726 I732 Q734S726-H730 PolarHBondContact O-N 3.1Å; S726-H730 VanDerWaalsContact O-N 3.13Å; H730-I732 VanDerWaalsContact C-N 3.33Å; H730-Q734 PolarHBondContact NE2-NE2 3.34Å; H730-Q734 PolarHBondContact O-N 2.92Å
731H72.9Confident70.8Confident57 Ų5762.5 Ų62.526%0.26432%0.321SS..Hα-helixtrans-70.5-27.4176.6-76.6-64.3000113.3E727 V728 L729E727-H731 PolarHBondContact O-CD2 2.88Å; V728-H731 PolarHBondContact O-N 2.86Å; L729-H731 VanDerWaalsContact C-N 3.29Å; L729-H731 PolarHBondContact O-N 3.45Å
732I75.1Confident71.2Confident2 Ų265.2 Ų65.21%0.0133%0.334CS..Hα-helixtrans-71.1-41175-71.1159.4000112L711 V728 L729 H730 N736 L737 M738 V743L711-I732 HydrophobicContact CD2-CD1 3.83Å; V728-I732 HydrophobicContact CG1-CD1 3.76Å; V728-I732 WeakPolarHBondContact O-CD1 3.21Å; V728-I732 WeakPolarHBondContact O-CG1 3.48Å; V728-I732 PolarHBondContact O-N 2.95Å; L729-I732 HydrophobicContact CD2-CD1 4.42Å; L729-I732 PolarHBondContact O-N 3.23Å; H730-I732 VanDerWaalsContact C-N 3.33Å; I732-N736 PolarHBondContact O-N 2.84Å; I732-N736 VanDerWaalsContact O-N 3.1Å; I732-L737 HydrophobicContact CG1-CD1 4.49Å; I732-L737 HydrophobicContact CG2-CB 4.34Å; I732-L737 PolarHBondContact O-N 3.41Å; I732-L737 VanDerWaalsContact O-N 3.1Å; I732-M738 HydrophobicContact CD1-CE 3.47Å; I732-M738 VanDerWaalsContact CD1-CE 3.47Å; I732-M738 HydrophobicContact CG1-CE 4.12Å; I732-M738 HydrophobicContact CG2-CB 4.1Å; I732-M738 HydrophobicContact CG2-CE 3.93Å; I732-V743 HydrophobicContact CG2-CG2 4.27Å
733D71.1Confident71.6Confident44 Ų4459.9 Ų59.924%0.23531%0.311CS..Hα-helixtrans-67.8-49.6179.1-178.431.6000112.4L729 K735 N736 Y761L729-D733 PolarHBondContact O-N 2.88Å; L729-D733 VanDerWaalsContact O-N 3.14Å; D733-K735 PolarHBondContact O-N 2.86Å; D733-K735 VanDerWaalsContact O-N 3.11Å; D733-N736 PolarHBondContact O-N 2.79Å; D733-N736 VanDerWaalsContact O-N 3.08Å; D733-Y761 HydrophobicContact CB-CD2 3.57Å; D733-Y761 HydrophobicContact CB-CE2 3.59Å; D733-Y761 WeakPolarHBondContact OD1-CD2 3.31Å; D733-Y761 WeakPolarHBondContact OD1-CE2 3.43Å
734Q71.6Confident71.8Confident127 Ų12758 Ų5859%0.59330%0.299SS*.Hα-helixtrans-55.3-34.9179.3-73.6-173.8-3.600112.8H730H730-Q734 PolarHBondContact NE2-NE2 3.34Å; H730-Q734 PolarHBondContact O-N 2.92Å
735K66.8Low71.9Confident83 Ų8358.1 Ų58.136%0.36130%0.303SS..THydrogen-bonded Turntrans-99.83.2-176.4-67.7-174.8-178.5-177.50113.6D701 D733 L737D701-K735 IonicContact OD1-NZ 4Å; D701-K735 PolarHBondContact OD1-NZ 3.46Å; D733-K735 PolarHBondContact O-N 2.86Å; D733-K735 VanDerWaalsContact O-N 3.11Å; K735-L737 HydrophobicContact CB-CD1 3.97Å; K735-L737 HydrophobicContact CB-CD2 3.87Å; K735-L737 HydrophobicContact CB-CG 3.57Å; K735-L737 HydrophobicContact CD-CD1 4.32Å; K735-L737 PolarHBondContact O-N 2.92Å
736N66.8Low71.7Confident87 Ų8759.2 Ų59.247%0.46531%0.311SS..THydrogen-bonded Turntrans48.137.8-176-93.9-32.8000113I732 D733 M738 K765I732-N736 PolarHBondContact O-N 2.84Å; I732-N736 VanDerWaalsContact O-N 3.1Å; D733-N736 PolarHBondContact O-N 2.79Å; D733-N736 VanDerWaalsContact O-N 3.08Å; N736-M738 PolarHBondContact O-N 3.49Å; N736-K765 PolarHBondContact ND2-NZ 3.35Å; N736-K765 PolarHBondContact OD1-NZ 2.98Å
737L68.5Low71.7Confident54 Ų5456.7 Ų56.728%0.28329%0.292SS..  trans-71.7-30.5-169.6-64.5174.4000113I732 K735I732-L737 HydrophobicContact CG1-CD1 4.49Å; I732-L737 HydrophobicContact CG2-CB 4.34Å; I732-L737 PolarHBondContact O-N 3.41Å; I732-L737 VanDerWaalsContact O-N 3.1Å; K735-L737 HydrophobicContact CB-CD1 3.97Å; K735-L737 HydrophobicContact CB-CD2 3.87Å; K735-L737 HydrophobicContact CB-CG 3.57Å; K735-L737 HydrophobicContact CD-CD1 4.32Å; K735-L737 PolarHBondContact O-N 2.92Å
738M68Low71.4Confident10 Ų1057.1 Ų57.15%0.04931%0.307CS..SBendtrans-130.1141.5-179.9-74.7-167.6-76.700112.1E708 L711 I732 N736 L742 V743 Y761E708-M738 HydrophobicContact CG-CE 4.29Å; E708-M738 HydrophobicContact CG-CG 4.32Å; E708-M738 HydrophobicContact CG-SD 4.1Å; L711-M738 HydrophobicContact CD2-CE 3.62Å; I732-M738 HydrophobicContact CD1-CE 3.47Å; I732-M738 VanDerWaalsContact CD1-CE 3.47Å; I732-M738 HydrophobicContact CG1-CE 4.12Å; I732-M738 HydrophobicContact CG2-CB 4.1Å; I732-M738 HydrophobicContact CG2-CE 3.93Å; N736-M738 PolarHBondContact O-N 3.49Å; M738-L742 HydrophobicContact CB-CD2 4.36Å; M738-L742 HydrophobicContact CG-CD2 4Å; M738-L742 HydrophobicContact SD-CD2 3.97Å; M738-L742 HydrophobicContact SD-CG 4.17Å; M738-V743 HydrophobicContact CB-CG2 3.58Å; M738-V743 HydrophobicContact CE-CG2 4.11Å; M738-Y761 PolarHBondContact O-OH 2.93Å
739P71.3Confident70.9Confident78 Ų7864.4 Ų64.451%0.50634%0.341SS..  trans-58.3144.7168.2-23.533.4000110.8L741 L742 V743P739-L741 PolarHBondContact O-N 3.26Å; P739-L742 HydrophobicContact CB-CB 4.45Å; P739-L742 WeakPolarHBondContact O-CB 3.2Å; P739-L742 PolarHBondContact O-N 3.19Å; P739-V743 PolarHBondContact O-N 2.72Å
740P71.3Confident70.5Confident37 Ų3764 Ų6424%0.2434%0.339CS..Hα-helixtrans-56.6-30.2-177.3-26.733.2000114.4V744 Y761 L762 K765P740-V744 WeakPolarHBondContact O-CG2 3.39Å; P740-V744 PolarHBondContact O-N 3.03Å; P740-Y761 HydrophobicContact CB-CE1 3.89Å; P740-Y761 HydrophobicContact CG-CE1 4.23Å; P740-L762 HydrophobicContact CB-CD2 3.57Å; P740-K765 HydrophobicContact CG-CG 4.03Å
741L71.8Confident69.6Low123 Ų12364.1 Ų64.164%0.64435%0.351SS*.Hα-helixtrans-70.5-34.1177.8-158.1135.3000112.7P739 Q745P739-L741 PolarHBondContact O-N 3.26Å; L741-Q745 WeakPolarHBondContact O-CG 3.34Å; L741-Q745 PolarHBondContact O-N 2.79Å
742L70.9Confident68.9Low72 Ų7263.7 Ų63.738%0.37735%0.353SS..Hα-helixtrans-75.6-36.5179.7-173.165.4000111.9M738 P739 V744 Q745 T746M738-L742 HydrophobicContact CB-CD2 4.36Å; M738-L742 HydrophobicContact CG-CD2 4Å; M738-L742 HydrophobicContact SD-CD2 3.97Å; M738-L742 HydrophobicContact SD-CG 4.17Å; P739-L742 HydrophobicContact CB-CB 4.45Å; P739-L742 WeakPolarHBondContact O-CB 3.2Å; P739-L742 PolarHBondContact O-N 3.19Å; L742-V744 VanDerWaalsContact C-N 3.33Å; L742-Q745 PolarHBondContact O-N 3.17Å; L742-T746 WeakPolarHBondContact O-CB 3.25Å; L742-T746 PolarHBondContact O-N 3.28Å; L742-T746 PolarHBondContact O-OG1 3.15Å
743V73.8Confident68.3Low1 Ų165.7 Ų65.71%0.00637%0.37CS..Hα-helixtrans-61-44.8173.6178.80000110.5L729 I732 M738 P739 T746 L747 Y761L729-V743 HydrophobicContact CD2-CG1 3.57Å; I732-V743 HydrophobicContact CG2-CG2 4.27Å; M738-V743 HydrophobicContact CB-CG2 3.58Å; M738-V743 HydrophobicContact CE-CG2 4.11Å; P739-V743 PolarHBondContact O-N 2.72Å; V743-T746 PolarHBondContact O-N 3.49Å; V743-L747 HydrophobicContact CG1-CD1 4.15Å; V743-L747 PolarHBondContact O-N 3.18Å; V743-L747 VanDerWaalsContact O-N 3.17Å; V743-Y761 HydrophobicContact CG2-CE1 4.39Å
744V73.1Confident68Low61 Ų6167.6 Ų67.637%0.3738%0.383SS..Hα-helixtrans-64.7-42.9176.6174.10000111.2P740 L742 T746 A748 I758P740-V744 WeakPolarHBondContact O-CG2 3.39Å; P740-V744 PolarHBondContact O-N 3.03Å; L742-V744 VanDerWaalsContact C-N 3.33Å; V744-T746 PolarHBondContact O-N 2.81Å; V744-A748 VanDerWaalsContact O-CB 3.25Å; V744-A748 WeakPolarHBondContact O-CB 3.13Å; V744-A748 PolarHBondContact O-N 2.85Å; V744-I758 HydrophobicContact CG2-CG2 4.12Å
745Q72Confident67.7Low105 Ų10568.7 Ų68.749%0.49139%0.392SS..Hα-helixtrans-62.9-40.4176.8-78.3177.5-16.800113L741 L742 A748 H749L741-Q745 WeakPolarHBondContact O-CG 3.34Å; L741-Q745 PolarHBondContact O-N 2.79Å; L742-Q745 PolarHBondContact O-N 3.17Å; Q745-A748 PolarHBondContact O-N 3.05Å; Q745-H749 PolarHBondContact O-CE1 3.12Å; Q745-H749 PolarHBondContact O-ND1 3.21Å
746T70.1Confident67.7Low37 Ų3768.6 Ų68.623%0.22740%0.402CS..Hα-helixtrans-69.1-39.8-177.8-53.60000111.4L711 L742 V743 V744L711-T746 HydrophobicContact CD2-CG2 4.31Å; L711-T746 HydrophobicContact CG-CG2 4.47Å; L742-T746 WeakPolarHBondContact O-CB 3.25Å; L742-T746 PolarHBondContact O-N 3.28Å; L742-T746 PolarHBondContact O-OG1 3.15Å; V743-T746 PolarHBondContact O-N 3.49Å; V744-T746 PolarHBondContact O-N 2.81Å
747L70.6Confident67.8Low7 Ų767.2 Ų67.24%0.03740%0.397CS..Hα-helixtrans-79.7-21.5177.7-70.9169.8000113.7L711 I725 L729 V743 H749 N750 I758L711-L747 HydrophobicContact CD1-CD2 4.14Å; I725-L747 HydrophobicContact CG2-CD2 3.98Å; L729-L747 HydrophobicContact CD1-CD1 3.87Å; L729-L747 HydrophobicContact CD2-CD1 4.04Å; L729-L747 HydrophobicContact CG-CD1 4.45Å; V743-L747 HydrophobicContact CG1-CD1 4.15Å; V743-L747 PolarHBondContact O-N 3.18Å; V743-L747 VanDerWaalsContact O-N 3.17Å; L747-H749 PolarHBondContact O-N 3.43Å; L747-H749 VanDerWaalsContact O-N 3.14Å; L747-N750 PolarHBondContact O-N 3.06Å; L747-N750 VanDerWaalsContact O-N 3.07Å; L747-I758 HydrophobicContact CB-CD1 4.15Å; L747-I758 HydrophobicContact CD1-CD1 3.48Å; L747-I758 VanDerWaalsContact CD1-CD1 3.48Å; L747-I758 HydrophobicContact CD1-CG1 3.93Å; L747-I758 HydrophobicContact CG-CD1 4.47Å
748A67.8Low68Low77 Ų7765.8 Ų65.864%0.63639%0.389SS*.THydrogen-bonded Turntrans-61.6-18.917500000113.4V744 Q745 N750V744-A748 VanDerWaalsContact O-CB 3.25Å; V744-A748 WeakPolarHBondContact O-CB 3.13Å; V744-A748 PolarHBondContact O-N 2.85Å; Q745-A748 PolarHBondContact O-N 3.05Å; A748-N750 VanDerWaalsContact C-N 3.27Å; A748-N750 PolarHBondContact O-N 2.95Å
749H65.6Low68.4Low159 Ų15971.2 Ų71.274%0.73641%0.413SS*.THydrogen-bonded Turntrans-78.5-7.4176.6-68.180.7000113.6Q745 L747Q745-H749 PolarHBondContact O-CE1 3.12Å; Q745-H749 PolarHBondContact O-ND1 3.21Å; L747-H749 PolarHBondContact O-N 3.43Å; L747-H749 VanDerWaalsContact O-N 3.14Å
750N65.2Low68.5Low17 Ų1772.9 Ų72.99%0.09142%0.417CS..  trans-105125.2-179.5-165.1-30.7000111A715 L747 A748 T752 A753A715-N750 WeakPolarHBondContact O-CB 3.15Å; A715-N750 PolarHBondContact O-ND2 3.26Å; L747-N750 PolarHBondContact O-N 3.06Å; L747-N750 VanDerWaalsContact O-N 3.07Å; A748-N750 VanDerWaalsContact C-N 3.27Å; A748-N750 PolarHBondContact O-N 2.95Å; N750-T752 PolarHBondContact O-N 3.01Å; N750-T752 PolarHBondContact OD1-N 3.22Å; N750-T752 PolarHBondContact OD1-OG1 3.47Å; N750-A753 HydrophobicContact CB-CB 4.46Å
751S57.4Low68.7Low108 Ų10872.4 Ų72.476%0.75541%0.411SS*.THydrogen-bonded Turntrans-74-9.7179.355.10000114.3
752T59.1Low69Low48 Ų4869.5 Ų69.529%0.29440%0.395SS..THydrogen-bonded Turntrans-106.4-4.7-173.966.20000114.5N750N750-T752 PolarHBondContact O-N 3.01Å; N750-T752 PolarHBondContact OD1-N 3.22Å; N750-T752 PolarHBondContact OD1-OG1 3.47Å
753A61.6Low69.4Low45 Ų4570 Ų7037%0.37240%0.397SS..  trans-87.6122.3-177.300000112.5N750N750-A753 HydrophobicContact CB-CB 4.46Å
754T63.8Low69.6Low84 Ų8474 Ų7452%0.51542%0.419SS..  trans-91.4144.1177.751.20000112.3S756 V757T754-S756 PolarHBondContact O-N 3.43Å; T754-S756 PolarHBondContact OG1-OG 2.67Å; T754-V757 PolarHBondContact O-N 2.91Å
755L65.2Low69.9Low149 Ų14972.8 Ų72.878%0.7841%0.409SS*.G310 helixtrans-57.2-17-179.4-160116.2000114.2V757 I758 K759L755-V757 PolarHBondContact O-N 3.13Å; L755-I758 PolarHBondContact O-N 2.79Å; L755-K759 PolarHBondContact O-N 3.46Å
756S67.3Low70.3Confident82 Ų8273.2 Ų73.257%0.57341%0.414SS*.G310 helixtrans-59-28.8172.453.40000113.6T754 I758T754-S756 PolarHBondContact O-N 3.43Å; T754-S756 PolarHBondContact OG1-OG 2.67Å; S756-I758 VanDerWaalsContact C-N 3.33Å; S756-I758 PolarHBondContact O-N 3.15Å
757V69.6Low70.9Confident57 Ų5777.9 Ų77.935%0.34543%0.433SS..G310 helixtrans-75.4-20.9-175.3-176.80000112.4L729 T754 L755L729-V757 HydrophobicContact CD1-CG1 3.62Å; T754-V757 PolarHBondContact O-N 2.91Å; L755-V757 PolarHBondContact O-N 3.13Å
758I72.9Confident71.3Confident24 Ų2484 Ų8412%0.12346%0.456CS..THydrogen-bonded Turntrans-114.4-16.2-171.3-51.7171.3000112.9V744 L747 L755 S756 D760 Y761 L762V744-I758 HydrophobicContact CG2-CG2 4.12Å; L747-I758 HydrophobicContact CB-CD1 4.15Å; L747-I758 HydrophobicContact CD1-CD1 3.48Å; L747-I758 VanDerWaalsContact CD1-CD1 3.48Å; L747-I758 HydrophobicContact CD1-CG1 3.93Å; L747-I758 HydrophobicContact CG-CD1 4.47Å; L755-I758 PolarHBondContact O-N 2.79Å; S756-I758 VanDerWaalsContact C-N 3.33Å; S756-I758 PolarHBondContact O-N 3.15Å; I758-D760 PolarHBondContact O-N 3.04Å; I758-Y761 HydrophobicContact CG2-CD1 4.29Å; I758-Y761 WeakPolarHBondContact O-CB 3.41Å; I758-Y761 PolarHBondContact O-N 2.93Å; I758-L762 HydrophobicContact CG2-CD1 4.23Å; I758-L762 HydrophobicContact CG2-CG 4.16Å; I758-L762 PolarHBondContact O-N 3.28Å
759K75Confident71.9Confident125 Ų12585.2 Ų85.254%0.54345%0.448SS..Hα-helixtrans-57.1-48.2-172.2-176.3-175.8175-171.70114L755 Y761 L762 I763L755-K759 PolarHBondContact O-N 3.46Å; K759-Y761 VanDerWaalsContact C-N 3.29Å; K759-Y761 PolarHBondContact O-N 3.45Å; K759-L762 PolarHBondContact O-N 3.5Å; K759-I763 HydrophobicContact CG-CD1 4.38Å
760D74.4Confident72.8Confident113 Ų11381.4 Ų81.460%0.60444%0.44SS*.Hα-helixtrans-70.8-28.7-174.1-62.9-28.1000112.2I758 N764I758-D760 PolarHBondContact O-N 3.04Å; D760-N764 PolarHBondContact O-ND2 2.74Å
761Y75.6Confident73.8Confident27 Ų2787.4 Ų87.411%0.10647%0.467CS..Hα-helixtrans-64.3-44.2175.1167.9-105.3000112.3D733 M738 P740 V743 I758 K759D733-Y761 HydrophobicContact CB-CD2 3.57Å; D733-Y761 HydrophobicContact CB-CE2 3.59Å; D733-Y761 WeakPolarHBondContact OD1-CD2 3.31Å; D733-Y761 WeakPolarHBondContact OD1-CE2 3.43Å; M738-Y761 PolarHBondContact O-OH 2.93Å; P740-Y761 HydrophobicContact CB-CE1 3.89Å; P740-Y761 HydrophobicContact CG-CE1 4.23Å; V743-Y761 HydrophobicContact CG2-CE1 4.39Å; I758-Y761 HydrophobicContact CG2-CD1 4.29Å; I758-Y761 WeakPolarHBondContact O-CB 3.41Å; I758-Y761 PolarHBondContact O-N 2.93Å; K759-Y761 VanDerWaalsContact C-N 3.29Å; K759-Y761 PolarHBondContact O-N 3.45Å
762L77.3Confident75Confident61 Ų6188.1 Ų88.132%0.31946%0.458SS..Hα-helixtrans-68.9-39.8-175.4-65.7176.9000113.7P740 I758 K759 K765P740-L762 HydrophobicContact CB-CD2 3.57Å; I758-L762 HydrophobicContact CG2-CD1 4.23Å; I758-L762 HydrophobicContact CG2-CG 4.16Å; I758-L762 PolarHBondContact O-N 3.28Å; K759-L762 PolarHBondContact O-N 3.5Å; L762-K765 PolarHBondContact O-N 3.41Å
763I80.2Confident76.1Confident82 Ų8290.9 Ų90.942%0.42147%0.47SS..Hα-helixtrans-64.8-44.3-175.3-66.3172.3000111K759 K765K759-I763 HydrophobicContact CG-CD1 4.38Å; I763-K765 VanDerWaalsContact C-N 3.26Å; I763-K765 PolarHBondContact O-N 3.5Å
764N78.6Confident77.4Confident85 Ų8594.7 Ų94.746%0.45548%0.48SS..Hα-helixtrans-70.8-20-175.8-70.6-27.3000113.9D760 R768D760-N764 PolarHBondContact O-ND2 2.74Å; N764-R768 PolarHBondContact O-NE 3.47Å; N764-R768 VanDerWaalsContact O-NE 3.12Å; N764-R768 PolarHBondContact O-NH2 3.37Å
765K78.5Confident78.4Confident36 Ų3694.6 Ų94.616%0.15748%0.477CS..Hα-helixtrans-82.1-45.4179.3-171.967.9178.6-174.30111.7N736 P740 L762 I763 Q767 R768N736-K765 PolarHBondContact ND2-NZ 3.35Å; N736-K765 PolarHBondContact OD1-NZ 2.98Å; P740-K765 HydrophobicContact CG-CG 4.03Å; L762-K765 PolarHBondContact O-N 3.41Å; I763-K765 VanDerWaalsContact C-N 3.26Å; I763-K765 PolarHBondContact O-N 3.5Å; K765-Q767 PolarHBondContact O-N 2.83Å; K765-R768 PolarHBondContact O-N 3.26Å
766L80.1Confident79.1Confident115 Ų11591.1 Ų91.160%0.60246%0.459SS*.Hα-helixtrans-64.6-37.2-176.4-73.8168.3000113.8R768 E769L766-R768 VanDerWaalsContact C-N 3.31Å; L766-R768 PolarHBondContact O-N 3.08Å; L766-E769 PolarHBondContact O-N 3.2Å
767Q83.2Confident80.1Confident135 Ų13593.3 Ų93.363%0.63146%0.46SS*.Hα-helixtrans-65.2-33.3179.6-73.5-178.4-19.400113.4K765K765-Q767 PolarHBondContact O-N 2.83Å
768R79.5Confident81Confident136 Ų13698.1 Ų98.151%0.51347%0.472SS..Hα-helixtrans-68.5-36.8179.7-90.4-179.8-84.1168.2-7112.4N764 K765 L766N764-R768 PolarHBondContact O-NE 3.47Å; N764-R768 VanDerWaalsContact O-NE 3.12Å; N764-R768 PolarHBondContact O-NH2 3.37Å; K765-R768 PolarHBondContact O-N 3.26Å; L766-R768 VanDerWaalsContact C-N 3.31Å; L766-R768 PolarHBondContact O-N 3.08Å
769E79.6Confident81.5Confident101 Ų101102.1 Ų102.147%0.47249%0.489SS..Hα-helixtrans-70.5-37.7-177-69.9176.3-179.700112.4L766 Q771 Q772L766-E769 PolarHBondContact O-N 3.2Å; E769-Q771 PolarHBondContact O-N 3.49Å; E769-Q772 PolarHBondContact O-N 2.8Å
770S84.4Confident81.9Confident80 Ų80100.3 Ų100.356%0.55948%0.484SS*.Hα-helixtrans-63.6-37.3-179.2-62.20000114.2Q772 I773S770-Q772 VanDerWaalsContact C-N 3.31Å; S770-Q772 PolarHBondContact O-N 3.12Å; S770-I773 PolarHBondContact O-N 3.05Å
771Q86.8Confident82.5Confident143 Ų14399.1 Ų99.167%0.66848%0.483SS*.Hα-helixtrans-65.9-33.8-179.9-77.6179.2-17.700112.7E769 I773E769-Q771 PolarHBondContact O-N 3.49Å; Q771-I773 VanDerWaalsContact C-N 3.3Å; Q771-I773 PolarHBondContact O-N 3.31Å
772Q81.3Confident83.2Confident122 Ų122103.1 Ų103.157%0.5750%0.503SS*.Hα-helixtrans-66.9-33.3-177.6-170.1172.3-800112.2E769 S770E769-Q772 PolarHBondContact O-N 2.8Å; S770-Q772 VanDerWaalsContact C-N 3.31Å; S770-Q772 PolarHBondContact O-N 3.12Å
773I83.3Confident83.4Confident106 Ų106107.2 Ų107.254%0.54452%0.515SS..Hα-helixtrans-66.6-42.4-177.2-63.1172000111.6S770 Q771 D775 D776 E777S770-I773 PolarHBondContact O-N 3.05Å; Q771-I773 VanDerWaalsContact C-N 3.3Å; Q771-I773 PolarHBondContact O-N 3.31Å; I773-D775 VanDerWaalsContact C-N 3.33Å; I773-D775 PolarHBondContact O-N 2.75Å; I773-D776 PolarHBondContact O-N 3.28Å; I773-E777 PolarHBondContact O-N 2.91Å
774E88.9Confident83.7Confident125 Ų125112.1 Ų112.158%0.58453%0.528SS*.Hα-helixtrans-66.6-30.4-175.6-71.4-175.6174.900114R778E774-R778 PolarHBondContact O-NE 3.29Å
775D83.8Confident84.3Confident83 Ų83115 Ų11544%0.44454%0.54SS..Hα-helixtrans-76.4-32.8-179.3-78.6-17.1000112.2I773 R778I773-D775 VanDerWaalsContact C-N 3.33Å; I773-D775 PolarHBondContact O-N 2.75Å; D775-R778 IonicContact OD1-CZ 3.65Å; D775-R778 IonicContact OD1-NH1 2.77Å; D775-R778 IonicContact OD1-NH2 3.32Å; D775-R778 PolarHBondContact OD1-NH2 3.47Å
776D80.3Confident84.6Confident76 Ų76118 Ų11841%0.40655%0.554SS.*Hα-helixtrans-74.7-35.6-179.3-74.2-21.7000112.3I773 R778 K779 I780I773-D776 PolarHBondContact O-N 3.28Å; D776-R778 VanDerWaalsContact C-N 3.3Å; D776-R778 PolarHBondContact O-N 2.77Å; D776-K779 PolarHBondContact O-N 3.48Å; D776-K779 IonicContact OD1-NZ 2.74Å; D776-K779 PolarHBondContact OD1-NZ 3.03Å; D776-I780 WeakPolarHBondContact O-CG1 3.4Å; D776-I780 PolarHBondContact O-N 3.02Å
777E88.3Confident84.6Confident128 Ų128115.9 Ų115.960%0.59855%0.546SS*.Hα-helixtrans-60.8-37.4175.8-71.1-171.9157.200112.9I773 K779 I780I773-E777 PolarHBondContact O-N 2.91Å; E777-K779 PolarHBondContact O-N 2.72Å; E777-I780 PolarHBondContact O-N 3.12Å
778R89.4Confident84.8Confident157 Ų157112.9 Ų112.959%0.59254%0.539SS*.Hα-helixtrans-63.3-41.4179.4-78.5-177.1-105.71570.1112.5E774 D775 D776 I780 C781E774-R778 PolarHBondContact O-NE 3.29Å; D775-R778 IonicContact OD1-CZ 3.65Å; D775-R778 IonicContact OD1-NH1 2.77Å; D775-R778 IonicContact OD1-NH2 3.32Å; D775-R778 PolarHBondContact OD1-NH2 3.47Å; D776-R778 VanDerWaalsContact C-N 3.3Å; D776-R778 PolarHBondContact O-N 2.77Å; R778-I780 VanDerWaalsContact C-N 3.34Å; R778-I780 PolarHBondContact O-N 3.39Å; R778-C781 PolarHBondContact O-N 3.1Å
779K82.4Confident85.3Confident109 Ų109112.3 Ų112.347%0.47454%0.543SS..Hα-helixtrans-65.9-37-179.4-65.5172.1-168.3154.20112.1D776 E777 C781 Q782 Y783D776-K779 PolarHBondContact O-N 3.48Å; D776-K779 IonicContact OD1-NZ 2.74Å; D776-K779 PolarHBondContact OD1-NZ 3.03Å; E777-K779 PolarHBondContact O-N 2.72Å; K779-C781 VanDerWaalsContact C-N 3.33Å; K779-C781 PolarHBondContact O-N 3.28Å; K779-Q782 PolarHBondContact O-N 3.2Å; K779-Y783 WeakPolarHBondContact O-CD2 3.4Å; K779-Y783 PolarHBondContact O-N 3.38Å
780I83.8Confident85.5Confident87 Ų87112.3 Ų112.345%0.44655%0.545SS..Hα-helixtrans-62.3-39.8-178-67.2169.4000111.7D776 E777 R778 R784D776-I780 WeakPolarHBondContact O-CG1 3.4Å; D776-I780 PolarHBondContact O-N 3.02Å; E777-I780 PolarHBondContact O-N 3.12Å; R778-I780 VanDerWaalsContact C-N 3.34Å; R778-I780 PolarHBondContact O-N 3.39Å; I780-R784 PolarHBondContact O-N 3.44Å
781C87.8Confident85.4Confident87 Ų87117.1 Ų117.159%0.58855%0.551SS**Hα-helixtrans-64.3-43.1179.7-78.80000112.6R778 K779 R784R778-C781 PolarHBondContact O-N 3.1Å; K779-C781 VanDerWaalsContact C-N 3.33Å; K779-C781 PolarHBondContact O-N 3.28Å; C781-R784 PolarHBondContact O-N 2.93Å
782Q90.1Very high85.3Confident112 Ų112113 Ų11352%0.52354%0.538SS..Hα-helixtrans-60.6-50-178.9-174.9178.7-5.900112K779 R784 Q785 E786K779-Q782 PolarHBondContact O-N 3.2Å; Q782-R784 VanDerWaalsContact C-N 3.3Å; Q782-R784 PolarHBondContact O-N 3.2Å; Q782-Q785 PolarHBondContact O-N 3.06Å; Q782-E786 PolarHBondContact NE2-OE1 3.12Å; Q782-E786 PolarHBondContact O-N 3.22Å
783Y81.4Confident85.3Confident146 Ų146111.8 Ų111.857%0.57353%0.532SS*.Hα-helixtrans-64.8-30.8-176.7-65.3-39.8000114.1K779 Q785 T787K779-Y783 WeakPolarHBondContact O-CD2 3.4Å; K779-Y783 PolarHBondContact O-N 3.38Å; Y783-Q785 VanDerWaalsContact C-N 3.35Å; Y783-T787 WeakPolarHBondContact O-CB 3.33Å; Y783-T787 PolarHBondContact O-N 3.14Å; Y783-T787 PolarHBondContact O-OG1 3.49Å
784R86.1Confident85.2Confident185 Ų185111.3 Ų111.370%0.69853%0.53SS*.Hα-helixtrans-65.4-39.3176.9-76.2-178.6177.4176.11.9112.1I780 C781 Q782 S788I780-R784 PolarHBondContact O-N 3.44Å; C781-R784 PolarHBondContact O-N 2.93Å; Q782-R784 VanDerWaalsContact C-N 3.3Å; Q782-R784 PolarHBondContact O-N 3.2Å; R784-S788 PolarHBondContact O-N 3.28Å
785Q91.4Very high84.8Confident147 Ų147112.2 Ų112.269%0.68753%0.534SS*.Hα-helixtrans-66.6-48.9-179.2-170.1174-100111.1Q782 Y783 T787 S788 H789Q782-Q785 PolarHBondContact O-N 3.06Å; Y783-Q785 VanDerWaalsContact C-N 3.35Å; Q785-T787 VanDerWaalsContact C-N 3.35Å; Q785-T787 PolarHBondContact O-N 3.36Å; Q785-S788 PolarHBondContact O-N 2.9Å; Q785-S788 PolarHBondContact O-OG 3.39Å; Q785-H789 PolarHBondContact O-N 3.49Å
786E84.5Confident84.6Confident99 Ų99114.5 Ų114.546%0.46354%0.542SS..Hα-helixtrans-59.5-43.3178.6-68.3174.4-174.300112.2Q782 S788 H789 L790Q782-E786 PolarHBondContact NE2-OE1 3.12Å; Q782-E786 PolarHBondContact O-N 3.22Å; E786-S788 VanDerWaalsContact C-N 3.28Å; E786-S788 PolarHBondContact O-N 3.04Å; E786-H789 PolarHBondContact O-N 3.49Å; E786-L790 PolarHBondContact O-N 3.31Å
787T81.5Confident84.5Confident70 Ų70114.9 Ų114.943%0.42954%0.544SS..Hα-helixtrans-61.6-36.8179.1-56.50000112.3Y783 Q785 R791Y783-T787 WeakPolarHBondContact O-CB 3.33Å; Y783-T787 PolarHBondContact O-N 3.14Å; Y783-T787 PolarHBondContact O-OG1 3.49Å; Q785-T787 VanDerWaalsContact C-N 3.35Å; Q785-T787 PolarHBondContact O-N 3.36Å; T787-R791 WeakPolarHBondContact O-CG 3.4Å; T787-R791 PolarHBondContact O-N 3.15Å
788S87.4Confident83.9Confident71 Ų71117.2 Ų117.250%0.49755%0.552SS.*Hα-helixtrans-67.4-41.6179.372.80000112.2R784 Q785 E786 R791 S792R784-S788 PolarHBondContact O-N 3.28Å; Q785-S788 PolarHBondContact O-N 2.9Å; Q785-S788 PolarHBondContact O-OG 3.39Å; E786-S788 VanDerWaalsContact C-N 3.28Å; E786-S788 PolarHBondContact O-N 3.04Å; S788-R791 PolarHBondContact O-N 3.29Å; S788-S792 PolarHBondContact O-N 2.75Å; S788-S792 PolarHBondContact O-OG 3.37Å
789H88.4Confident83.3Confident125 Ų125114.1 Ų114.158%0.57956%0.56SS**Hα-helixtrans-64.3-44.9179.8-179-83.4000112.2Q785 E786 R791 S792 E793Q785-H789 PolarHBondContact O-N 3.49Å; E786-H789 PolarHBondContact O-N 3.49Å; H789-R791 VanDerWaalsContact C-N 3.29Å; H789-R791 PolarHBondContact O-N 3.42Å; H789-S792 PolarHBondContact O-N 3.21Å; H789-S792 PolarHBondContact O-OG 3.49Å; H789-E793 PolarHBondContact O-N 3.3Å
790L83.4Confident82.9Confident100 Ų100112.6 Ų112.652%0.52456%0.563SS.*Hα-helixtrans-63.2-34.7178.2-72.4169.8000112.4E786 E793 I794E786-L790 PolarHBondContact O-N 3.31Å; L790-E793 PolarHBondContact O-N 2.91Å; L790-I794 WeakPolarHBondContact O-CG1 3.33Å; L790-I794 PolarHBondContact O-N 3.38Å; L790-I794 VanDerWaalsContact O-N 3.14Å
791R83Confident82.3Confident182 Ų182113.3 Ų113.369%0.68758%0.581SS**Hα-helixtrans-67.6-38.8178-75.1178.8-179.7-177.81.4112.7T787 S788 H789 Q795T787-R791 WeakPolarHBondContact O-CG 3.4Å; T787-R791 PolarHBondContact O-N 3.15Å; S788-R791 PolarHBondContact O-N 3.29Å; H789-R791 VanDerWaalsContact C-N 3.29Å; H789-R791 PolarHBondContact O-N 3.42Å; R791-Q795 PolarHBondContact O-N 3.1Å
792S84.9Confident81.5Confident55 Ų55113 Ų11339%0.38557%0.57SS.*Hα-helixtrans-63.1-43.1174.537.10000111.8S788 H789 I794 Q795 E796S788-S792 PolarHBondContact O-N 2.75Å; S788-S792 PolarHBondContact O-OG 3.37Å; H789-S792 PolarHBondContact O-N 3.21Å; H789-S792 PolarHBondContact O-OG 3.49Å; S792-I794 PolarHBondContact O-N 3.45Å; S792-Q795 PolarHBondContact O-N 3.39Å; S792-Q795 VanDerWaalsContact O-N 3.12Å; S792-E796 PolarHBondContact O-N 2.97Å
793E81.3Confident80.6Confident97 Ų97114.2 Ų114.245%0.45358%0.579SS.*Hα-helixtrans-61.8-42.1179.5-170.2177-178.100112.2H789 L790 Q795 E796 L797H789-E793 PolarHBondContact O-N 3.3Å; L790-E793 PolarHBondContact O-N 2.91Å; E793-Q795 VanDerWaalsContact C-N 3.29Å; E793-Q795 PolarHBondContact O-N 3.21Å; E793-E796 PolarHBondContact O-N 2.81Å; E793-L797 WeakPolarHBondContact O-CG 3.33Å; E793-L797 PolarHBondContact O-N 2.93Å; E793-L797 VanDerWaalsContact O-N 3.1Å
794I80.8Confident80.2Confident96 Ų96110.6 Ų110.649%0.49257%0.566SS.*Hα-helixtrans-60.9-38.8175.3-68.3166.5000111.6L790 S792 K798L790-I794 WeakPolarHBondContact O-CG1 3.33Å; L790-I794 PolarHBondContact O-N 3.38Å; L790-I794 VanDerWaalsContact O-N 3.14Å; S792-I794 PolarHBondContact O-N 3.45Å; I794-K798 PolarHBondContact O-N 2.95Å
795Q80.7Confident79.3Confident144 Ų144109.6 Ų109.667%0.67357%0.569SS**Hα-helixtrans-70.6-39.3-179-170170.7-4.800111.7R791 S792 E793 K798 A799R791-Q795 PolarHBondContact O-N 3.1Å; S792-Q795 PolarHBondContact O-N 3.39Å; S792-Q795 VanDerWaalsContact O-N 3.12Å; E793-Q795 VanDerWaalsContact C-N 3.29Å; E793-Q795 PolarHBondContact O-N 3.21Å; Q795-K798 PolarHBondContact O-N 3.04Å; Q795-A799 PolarHBondContact O-N 3.41Å
796E80.5Confident78.2Confident131 Ų131106.8 Ų106.861%0.61256%0.555SS**Hα-helixtrans-60.9-45.1174.1-72.8-178.8-176.500111.9S792 E793 K798 A799 S800S792-E796 PolarHBondContact O-N 2.97Å; E793-E796 PolarHBondContact O-N 2.81Å; E796-K798 VanDerWaalsContact C-N 3.26Å; E796-K798 PolarHBondContact O-N 2.91Å; E796-A799 PolarHBondContact O-N 2.68Å; E796-S800 WeakPolarHBondContact O-CB 3.22Å; E796-S800 PolarHBondContact O-N 3.35Å; E796-S800 PolarHBondContact O-OG 3.33Å
797L76.8Confident77.8Confident85 Ų85107.2 Ų107.245%0.44556%0.564SS.*Hα-helixtrans-63.6-27.4179.1-71.3172.7000113.7E793E793-L797 WeakPolarHBondContact O-CG 3.33Å; E793-L797 PolarHBondContact O-N 2.93Å; E793-L797 VanDerWaalsContact O-N 3.1Å
798K75.4Confident77.7Confident177 Ų177110 Ų11077%0.7757%0.571SS**Hα-helixtrans-84-33.4179.8-77.9-175.6177.9-178.20114.2I794 Q795 E796I794-K798 PolarHBondContact O-N 2.95Å; Q795-K798 PolarHBondContact O-N 3.04Å; E796-K798 VanDerWaalsContact C-N 3.26Å; E796-K798 PolarHBondContact O-N 2.91Å
799A77Confident77.3Confident92 Ų92106.6 Ų106.676%0.7655%0.547SS*.Hα-helixtrans-108.7-17.3-166.200000114.5Q795 E796Q795-A799 PolarHBondContact O-N 3.41Å; E796-A799 PolarHBondContact O-N 2.68Å
800S74.1Confident77Confident76 Ų76103.1 Ų103.153%0.53153%0.532SS..SBendtrans-105.7141.1-174.470.70000112.9E796E796-S800 WeakPolarHBondContact O-CB 3.22Å; E796-S800 PolarHBondContact O-N 3.35Å; E796-S800 PolarHBondContact O-OG 3.33Å
801A71.9Confident76.6Confident102 Ų102101.9 Ų101.984%0.84353%0.525SS*.PPolyproline II helixtrans-75.8128.3171.900000110
802K69.8Low76.3Confident82 Ų8295.8 Ų95.836%0.35751%0.51SS..PPolyproline II helixtrans-100.9123.8-176.5-154.7166.9-170175.30110.8L824 S826K802-L824 HydrophobicContact CB-CD2 4.45Å; K802-L824 WeakPolarHBondContact CD-O 3.06Å; K802-L824 PolarHBondContact NZ-O 3.15Å; K802-S826 WeakPolarHBondContact CE-OG 3.41Å; K802-S826 PolarHBondContact NZ-OG 3.33Å
803I72.9Confident76Confident136 Ų13698.8 Ų98.870%0.69752%0.521SS*.PPolyproline II helixtrans-88.7121.8179.2-53.6174.9000109.1Q805I803-Q805 HydrophobicContact CG2-CG 3.8Å
804F71.7Confident75.9Confident70 Ų7097.1 Ų97.131%0.30752%0.52SS..  trans-92101.1175.6-59.4-73.5000110.3H822 F823 L824F804-H822 HydrophobicContact CD1-CB 4.24Å; F804-H822 HydrophobicContact CD2-CB 3.93Å; F804-H822 HydrophobicContact CE1-CB 4.41Å; F804-H822 HydrophobicContact CE2-CB 4.09Å; F804-H822 HydrophobicContact CG-CB 4Å; F804-H822 HydrophobicContact CZ-CB 4.32Å; F804-F823 WeakPolarHBondContact CE1-O 3.45Å; F804-L824 HydrophobicContact CZ-CD2 4.29Å
805Q67Low75.9Confident164 Ų16496.7 Ų96.777%0.76652%0.524SS*.  trans-97.95.4-179.8-62.3-176-7.300113.8I803 T807I803-Q805 HydrophobicContact CG2-CG 3.8Å; Q805-T807 PolarHBondContact O-N 2.78Å
806K69.9Low75.8Confident89 Ų8991.6 Ų91.639%0.38750%0.501SS..  trans-73.5122.2-177.7-74.9-171.3177.6174.60110.6N810 L816 S826K806-N810 PolarHBondContact NZ-OD1 2.85Å; K806-L816 WeakPolarHBondContact O-CD1 3.3Å; K806-S826 VanDerWaalsContact CD-O 3.25Å; K806-S826 WeakPolarHBondContact CD-O 3.3Å; K806-S826 WeakPolarHBondContact CE-O 3.22Å; K806-S826 PolarHBondContact NZ-O 3.45Å
807T74.5Confident75.6Confident107 Ų10792 Ų9266%0.65650%0.503SS*.  trans-96.2-0.7-178.753.20000113.8Q805 P815 L816Q805-T807 PolarHBondContact O-N 2.78Å; T807-P815 CarbonylContact O-C 3.56Å; T807-P815 VanDerWaalsContact O-CA 3.3Å; T807-P815 WeakPolarHBondContact O-CA 3.4Å; T807-L816 PolarHBondContact O-N 3.45Å
808K79.9Confident75.4Confident129 Ų12995.5 Ų95.556%0.56152%0.521SS*.BIsolated β-bridgetrans-125.8145.1179.9-63-178.4179.5-175.80111.7S814 L816K808-S814 WeakPolarHBondContact CA-O 3.06Å; K808-L816 VanDerWaalsContact C-CD1 3.43Å; K808-L816 VanDerWaalsContact O-CD1 3.29Å; K808-L816 WeakPolarHBondContact O-CD1 3.11Å
809C80.3Confident75.4Confident0 Ų090.8 Ų90.80%051%0.509CS..  trans-72.8131176.5173.70000110.5M811 C812 N813 S814 L816 S828 H830C809-M811 PolarHBondContact O-N 2.86Å; C809-C812 VanDerWaalsContact CB-SG 3.54Å; C809-N813 WeakPolarHBondContact O-CA 3.25Å; C809-N813 PolarHBondContact O-N 3.42Å; C809-S814 PolarHBondContact N-O 3.36Å; C809-L816 HydrophobicContact CB-CD2 4.21Å; C809-L816 HydrophobicContact CB-CG 4.3Å; C809-S828 WeakPolarHBondContact CA-O 3.45Å; C809-H830 VanDerWaalsContact CB-CE1 3.47Å; C809-H830 WeakPolarHBondContact CB-CE1 3.48Å; C809-H830 WeakPolarHBondContact CB-ND1 3.26Å; C809-H830 PolarHBondContact SG-ND1 3.42Å
810N80.8Confident75.5Confident51 Ų5188.1 Ų88.127%0.27348%0.484SS..THydrogen-bonded Turntrans-70.6-10.9-176.7-100.695.8000114.2K806 H827 S828 F829K806-N810 PolarHBondContact NZ-OD1 2.85Å; N810-H827 PolarHBondContact ND2-CD2 3.17Å; N810-S828 PolarHBondContact N-O 2.72Å; N810-F829 HydrophobicContact CB-CD1 3.96Å; N810-F829 HydrophobicContact CB-CE1 3.43Å; N810-F829 VanDerWaalsContact CB-CE1 3.43Å; N810-F829 HydrophobicContact CB-CZ 4.06Å
811M76.4Confident75.8Confident75 Ų7586.5 Ų86.537%0.36947%0.471SS..THydrogen-bonded Turntrans-98.9-51.2176.3-71.5-59.8-71.500113C809 F829 Y837C809-M811 PolarHBondContact O-N 2.86Å; M811-F829 HydrophobicContact CB-CD1 4.28Å; M811-F829 HydrophobicContact CG-CD1 3.55Å; M811-F829 HydrophobicContact CG-CE1 3.6Å; M811-F829 HydrophobicContact SD-CE1 4.27Å; M811-Y837 HydrophobicContact CE-CD1 3.77Å; M811-Y837 HydrophobicContact CE-CD2 4.13Å; M811-Y837 HydrophobicContact CE-CE1 4.26Å; M811-Y837 HydrophobicContact CE-CG 3.7Å
812C76.8Confident76.2Confident54 Ų5485.2 Ų85.237%0.36545%0.448SS..THydrogen-bonded Turntrans-99.6-6.2-175.868.20000113.9C809 S814 H830C809-C812 VanDerWaalsContact CB-SG 3.54Å; C812-S814 PolarHBondContact O-N 3.21Å; C812-H830 VanDerWaalsContact SG-CE1 3.55Å; C812-H830 PolarHBondContact SG-ND1 3.43Å; C812-H830 VanDerWaalsContact SG-ND1 3.38Å
813N77.8Confident76.7Confident118 Ų11882.7 Ų82.763%0.63144%0.437SS*.  trans57.62.8-176.7-76.1-34.1000116.5C809C809-N813 WeakPolarHBondContact O-CA 3.25Å; C809-N813 PolarHBondContact O-N 3.42Å
814S78.2Confident76.8Confident62 Ų6281.5 Ų81.543%0.43443%0.431SS..SBendtrans-72155.7171.6-68.30000111.7K808 C809 C812 L816K808-S814 WeakPolarHBondContact CA-O 3.06Å; C809-S814 PolarHBondContact N-O 3.36Å; C812-S814 PolarHBondContact O-N 3.21Å; S814-L816 PolarHBondContact O-N 3.4Å
815P81.3Confident77Confident86 Ų8680.7 Ų80.756%0.55843%0.433SS*.BIsolated β-bridgetrans-55.8138.4174.623.9-33.3000110.8T807 E817 H830T807-P815 CarbonylContact O-C 3.56Å; T807-P815 VanDerWaalsContact O-CA 3.3Å; T807-P815 WeakPolarHBondContact O-CA 3.4Å; P815-E817 PolarHBondContact O-N 2.87Å; P815-H830 PolarHBondContact O-CE1 3.14Å; P815-H830 PolarHBondContact O-NE2 3.42Å
816L78.4Confident77.5Confident38 Ų3874.7 Ų74.720%0.19941%0.41CS..PPolyproline II helixtrans-67.9122-178.6-87.3151.4000110.2K806 T807 K808 C809 S814 H830K806-L816 WeakPolarHBondContact O-CD1 3.3Å; T807-L816 PolarHBondContact O-N 3.45Å; K808-L816 VanDerWaalsContact C-CD1 3.43Å; K808-L816 VanDerWaalsContact O-CD1 3.29Å; K808-L816 WeakPolarHBondContact O-CD1 3.11Å; C809-L816 HydrophobicContact CB-CD2 4.21Å; C809-L816 HydrophobicContact CB-CG 4.3Å; S814-L816 PolarHBondContact O-N 3.4Å; L816-H830 WeakPolarHBondContact CA-NE2 3.5Å
817E75.7Confident78.1Confident139 Ų13972.1 Ų72.165%0.6540%0.399SS*.  trans-107.7148.8173.5-67.3-180-176.100108.8P815 P819 H830P815-E817 PolarHBondContact O-N 2.87Å; E817-P819 CarbonylContact O-C 3.51Å; E817-H830 PolarHBondContact N-CD2 3.42Å; E817-H830 VanDerWaalsContact N-CD2 3.26Å; E817-H830 PolarHBondContact N-NE2 3.1Å; E817-H830 VanDerWaalsContact N-NE2 3.13Å
818L74.2Confident78.4Confident158 Ų15867 Ų6783%0.82737%0.368SS*.SBendtrans-77.2136.1177.7-66172.5000109.6
819P74.3Confident78.5Confident79 Ų7960.9 Ų60.951%0.51334%0.341SS..SBendcis-85.6142.7529.8-31.5000115.1E817 Q831E817-P819 CarbonylContact O-C 3.51Å; P819-Q831 HydrophobicContact CB-CB 4.25Å; P819-Q831 VanDerWaalsContact CB-OE1 3.25Å; P819-Q831 HydrophobicContact CG-CB 3.91Å; P819-Q831 WeakPolarHBondContact O-CB 3.2Å; P819-Q831 PolarHBondContact O-N 3.35Å
820S79.6Confident78.6Confident35 Ų3562.1 Ų62.125%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-127.3147.7-179.558.20000113.4H822 F829S820-H822 PolarHBondContact OG-NE2 2.58Å; S820-H822 VanDerWaalsContact OG-NE2 3.1Å; S820-F829 CarbonylContact C-O 3.55Å; S820-F829 VanDerWaalsContact CA-O 3.32Å; S820-F829 WeakPolarHBondContact CA-O 3.39Å; S820-F829 WeakPolarHBondContact CB-O 3.16Å
821V80.7Confident78.6Confident43 Ų4363.2 Ų63.226%0.26135%0.35SS..EExtended strand (participates in β ladder)trans-111.4134.2179.5-177.30000109.8F823 S828 F829 F834V821-F823 HydrophobicContact CG1-CE2 3.98Å; V821-F823 HydrophobicContact CG1-CZ 4.4Å; V821-S828 WeakPolarHBondContact O-CA 3.35Å; V821-F829 PolarHBondContact N-O 3.43Å; V821-F829 PolarHBondContact O-N 3.21Å; V821-F834 HydrophobicContact CG2-CD1 4.27Å
822H80.9Confident78.6Confident74 Ų7466.2 Ų66.234%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-125.3129.9-177.3-57.8-75.7000111.3F804 S820 S828F804-H822 HydrophobicContact CD1-CB 4.24Å; F804-H822 HydrophobicContact CD2-CB 3.93Å; F804-H822 HydrophobicContact CE1-CB 4.41Å; F804-H822 HydrophobicContact CE2-CB 4.09Å; F804-H822 HydrophobicContact CG-CB 4Å; F804-H822 HydrophobicContact CZ-CB 4.32Å; S820-H822 PolarHBondContact OG-NE2 2.58Å; S820-H822 VanDerWaalsContact OG-NE2 3.1Å; H822-S828 PolarHBondContact CE1-OG 3.11Å; H822-S828 VanDerWaalsContact ND1-CB 3.3Å; H822-S828 WeakPolarHBondContact ND1-CB 3.4Å; H822-S828 PolarHBondContact ND1-OG 3.21Å
823F79.1Confident78.5Confident29 Ų2964.9 Ų64.913%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-103.5147.4177-73.1-88.6000111.8F804 V821 C825 S826 H827 F829 F834 E843 C844F804-F823 WeakPolarHBondContact CE1-O 3.45Å; V821-F823 HydrophobicContact CG1-CE2 3.98Å; V821-F823 HydrophobicContact CG1-CZ 4.4Å; F823-C825 WeakPolarHBondContact CB-SG 3.26Å; F823-C825 PolarHBondContact O-N 3.25Å; F823-S826 WeakPolarHBondContact O-CA 3.27Å; F823-S826 PolarHBondContact O-N 3.31Å; F823-H827 PolarHBondContact N-O 3.37Å; F823-F829 AromaticContact CD2-CD2 3.96Å; F823-F829 HydrophobicContact CD2-CD2 3.96Å; F823-F829 AromaticContact CD2-CE2 3.77Å; F823-F829 HydrophobicContact CD2-CE2 3.77Å; F823-F829 AromaticContact CE2-CD2 3.96Å; F823-F829 HydrophobicContact CE2-CD2 3.96Å; F823-F829 AromaticContact CE2-CE2 3.99Å; F823-F829 HydrophobicContact CE2-CE2 3.99Å; F823-F834 AromaticContact CE2-CD2 4Å; F823-F834 HydrophobicContact CE2-CD2 4Å; F823-F834 AromaticContact CE2-CE2 3.58Å; F823-F834 HydrophobicContact CE2-CE2 3.58Å; F823-F834 HydrophobicContact CE2-CZ 4.28Å; F823-F834 HydrophobicContact CZ-CD2 4.28Å; F823-F834 AromaticContact CZ-CE2 3.41Å; F823-F834 HydrophobicContact CZ-CE2 3.41Å; F823-F834 VanDerWaalsContact CZ-CE2 3.41Å; F823-F834 AromaticContact CZ-CZ 3.77Å; F823-F834 HydrophobicContact CZ-CZ 3.77Å; F823-E843 VanDerWaalsContact CZ-C 3.49Å; F823-E843 WeakPolarHBondContact CZ-O 3.37Å; F823-C844 HydrophobicContact CB-CB 4.08Å; F823-C844 HydrophobicContact CD1-CB 3.78Å; F823-C844 HydrophobicContact CD2-CB 3.94Å; F823-C844 HydrophobicContact CE1-CB 4.18Å; F823-C844 HydrophobicContact CE2-CB 4.32Å; F823-C844 HydrophobicContact CG-CB 3.65Å; F823-C844 HydrophobicContact CZ-CB 4.43Å
824L76.5Confident78.5Confident112 Ų11259.8 Ų59.859%0.58633%0.326SS*.THydrogen-bonded Turntrans-60.2-16.9178-72.1171.9000114.3K802 F804 S826K802-L824 HydrophobicContact CB-CD2 4.45Å; K802-L824 WeakPolarHBondContact CD-O 3.06Å; K802-L824 PolarHBondContact NZ-O 3.15Å; F804-L824 HydrophobicContact CZ-CD2 4.29Å; L824-S826 PolarHBondContact O-N 3.27Å; L824-S826 VanDerWaalsContact O-N 3.15Å
825C75.7Confident78.3Confident52 Ų5262.1 Ų62.135%0.35133%0.331SS..THydrogen-bonded Turntrans-71.27.2166.666.60000113.4F823 H827 C844F823-C825 WeakPolarHBondContact CB-SG 3.26Å; F823-C825 PolarHBondContact O-N 3.25Å; C825-H827 VanDerWaalsContact C-N 3.3Å; C825-H827 PolarHBondContact O-N 3.3Å; C825-H827 PolarHBondContact SG-ND1 3.12Å; C825-C844 PolarHBondContact SG-SG 3.37Å
826S76.2Confident77.8Confident39 Ų3961.3 Ų61.327%0.27333%0.327SS..THydrogen-bonded Turntrans66.322.6-178.2-51.10000114.7K802 K806 F823 L824K802-S826 WeakPolarHBondContact CE-OG 3.41Å; K802-S826 PolarHBondContact NZ-OG 3.33Å; K806-S826 VanDerWaalsContact CD-O 3.25Å; K806-S826 WeakPolarHBondContact CD-O 3.3Å; K806-S826 WeakPolarHBondContact CE-O 3.22Å; K806-S826 PolarHBondContact NZ-O 3.45Å; F823-S826 WeakPolarHBondContact O-CA 3.27Å; F823-S826 PolarHBondContact O-N 3.31Å; L824-S826 PolarHBondContact O-N 3.27Å; L824-S826 VanDerWaalsContact O-N 3.15Å
827H82Confident77.1Confident35 Ų3567.1 Ų67.116%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-96.3136.1171.9-65.9130.2000110.6N810 F823 C825 F829 C844 C847N810-H827 PolarHBondContact ND2-CD2 3.17Å; F823-H827 PolarHBondContact N-O 3.37Å; C825-H827 VanDerWaalsContact C-N 3.3Å; C825-H827 PolarHBondContact O-N 3.3Å; C825-H827 PolarHBondContact SG-ND1 3.12Å; H827-F829 HydrophobicContact CB-CE2 3.77Å; H827-F829 HydrophobicContact CB-CZ 3.75Å; H827-C844 PolarHBondContact ND1-SG 3.38Å; H827-C847 VanDerWaalsContact CE1-SG 3.51Å; H827-C847 PolarHBondContact ND1-SG 3.45Å; H827-C847 VanDerWaalsContact ND1-SG 3.45Å
828S82.3Confident76.6Confident0 Ų061.7 Ų61.70%033%0.326CS..EExtended strand (participates in β ladder)trans-126136.1-175.1-56.60000110.2C809 N810 V821 H822C809-S828 WeakPolarHBondContact CA-O 3.45Å; N810-S828 PolarHBondContact N-O 2.72Å; V821-S828 WeakPolarHBondContact O-CA 3.35Å; H822-S828 PolarHBondContact CE1-OG 3.11Å; H822-S828 VanDerWaalsContact ND1-CB 3.3Å; H822-S828 WeakPolarHBondContact ND1-CB 3.4Å; H822-S828 PolarHBondContact ND1-OG 3.21Å
829F81.8Confident76Confident0 Ų062.5 Ų62.50%033%0.326CS..EExtended strand (participates in β ladder)trans-135.8151.1-176.5-52.3-76.5000111.4N810 M811 S820 V821 F823 H827 F834N810-F829 HydrophobicContact CB-CD1 3.96Å; N810-F829 HydrophobicContact CB-CE1 3.43Å; N810-F829 VanDerWaalsContact CB-CE1 3.43Å; N810-F829 HydrophobicContact CB-CZ 4.06Å; M811-F829 HydrophobicContact CB-CD1 4.28Å; M811-F829 HydrophobicContact CG-CD1 3.55Å; M811-F829 HydrophobicContact CG-CE1 3.6Å; M811-F829 HydrophobicContact SD-CE1 4.27Å; S820-F829 CarbonylContact C-O 3.55Å; S820-F829 VanDerWaalsContact CA-O 3.32Å; S820-F829 WeakPolarHBondContact CA-O 3.39Å; S820-F829 WeakPolarHBondContact CB-O 3.16Å; V821-F829 PolarHBondContact N-O 3.43Å; V821-F829 PolarHBondContact O-N 3.21Å; F823-F829 AromaticContact CD2-CD2 3.96Å; F823-F829 HydrophobicContact CD2-CD2 3.96Å; F823-F829 AromaticContact CD2-CE2 3.77Å; F823-F829 HydrophobicContact CD2-CE2 3.77Å; F823-F829 AromaticContact CE2-CD2 3.96Å; F823-F829 HydrophobicContact CE2-CD2 3.96Å; F823-F829 AromaticContact CE2-CE2 3.99Å; F823-F829 HydrophobicContact CE2-CE2 3.99Å; H827-F829 HydrophobicContact CB-CE2 3.77Å; H827-F829 HydrophobicContact CB-CZ 3.75Å; F829-F834 HydrophobicContact CB-CB 4.15Å; F829-F834 HydrophobicContact CD2-CD2 4.46Å
830H82.7Confident75.6Confident25 Ų2561.2 Ų61.212%0.11632%0.318CS..EExtended strand (participates in β ladder)trans-65.6145162.8-61.2106.3000109C809 C812 P815 L816 E817 H832 C833 F834C809-H830 VanDerWaalsContact CB-CE1 3.47Å; C809-H830 WeakPolarHBondContact CB-CE1 3.48Å; C809-H830 WeakPolarHBondContact CB-ND1 3.26Å; C809-H830 PolarHBondContact SG-ND1 3.42Å; C812-H830 VanDerWaalsContact SG-CE1 3.55Å; C812-H830 PolarHBondContact SG-ND1 3.43Å; C812-H830 VanDerWaalsContact SG-ND1 3.38Å; P815-H830 PolarHBondContact O-CE1 3.14Å; P815-H830 PolarHBondContact O-NE2 3.42Å; L816-H830 WeakPolarHBondContact CA-NE2 3.5Å; E817-H830 PolarHBondContact N-CD2 3.42Å; E817-H830 VanDerWaalsContact N-CD2 3.26Å; E817-H830 PolarHBondContact N-NE2 3.1Å; E817-H830 VanDerWaalsContact N-NE2 3.13Å; H830-H832 VanDerWaalsContact C-N 3.25Å; H830-H832 PolarHBondContact O-N 3.04Å; H830-C833 HydrophobicContact CB-CB 4.05Å; H830-C833 PolarHBondContact O-N 3.2Å; H830-C833 VanDerWaalsContact O-N 3.07Å; H830-F834 WeakPolarHBondContact O-CB 3.39Å; H830-F834 PolarHBondContact O-N 3.29Å
831Q79.3Confident75Confident75 Ų7566.2 Ų66.235%0.3534%0.342SS..Hα-helixtrans-54.1-44.4178.1-178173.9-14.200111.6P819 C833 F834 E835P819-Q831 HydrophobicContact CB-CB 4.25Å; P819-Q831 VanDerWaalsContact CB-OE1 3.25Å; P819-Q831 HydrophobicContact CG-CB 3.91Å; P819-Q831 WeakPolarHBondContact O-CB 3.2Å; P819-Q831 PolarHBondContact O-N 3.35Å; Q831-C833 PolarHBondContact O-N 2.82Å; Q831-F834 WeakPolarHBondContact O-CB 3.42Å; Q831-F834 PolarHBondContact O-N 2.69Å; Q831-E835 HydrophobicContact CG-CG 4.43Å; Q831-E835 VanDerWaalsContact CG-OE1 3.32Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.41Å; Q831-E835 PolarHBondContact NE2-OE1 2.78Å; Q831-E835 WeakPolarHBondContact O-CG 3.45Å; Q831-E835 PolarHBondContact O-N 2.85Å
832H76.5Confident74.4Confident137 Ų13768.1 Ų68.163%0.63436%0.363SS*.Hα-helixtrans-66.4-37.3178.4-172.954.7000113.5H830 F834 S836H830-H832 VanDerWaalsContact C-N 3.25Å; H830-H832 PolarHBondContact O-N 3.04Å; H832-F834 VanDerWaalsContact C-N 3.29Å; H832-F834 PolarHBondContact O-N 3.29Å; H832-S836 WeakPolarHBondContact O-CB 3.16Å; H832-S836 PolarHBondContact O-N 3.38Å; H832-S836 VanDerWaalsContact O-N 3.15Å; H832-S836 PolarHBondContact O-OG 3.39Å
833C74.6Confident74.1Confident26 Ų2668.6 Ų68.618%0.17637%0.365CS..Hα-helixtrans-70.4-27.7175.2-66.20000112.2H830 Q831 Y837H830-C833 HydrophobicContact CB-CB 4.05Å; H830-C833 PolarHBondContact O-N 3.2Å; H830-C833 VanDerWaalsContact O-N 3.07Å; Q831-C833 PolarHBondContact O-N 2.82Å; C833-Y837 WeakPolarHBondContact O-CD2 3.07Å
834F78.9Confident74.1Confident11 Ų1167.8 Ų67.85%0.04836%0.362CS..Hα-helixtrans-73.9-52.3174.6177.7-107.2000110.9V821 F823 F829 H830 Q831 H832 S836 Y837 A838 P845V821-F834 HydrophobicContact CG2-CD1 4.27Å; F823-F834 AromaticContact CE2-CD2 4Å; F823-F834 HydrophobicContact CE2-CD2 4Å; F823-F834 AromaticContact CE2-CE2 3.58Å; F823-F834 HydrophobicContact CE2-CE2 3.58Å; F823-F834 HydrophobicContact CE2-CZ 4.28Å; F823-F834 HydrophobicContact CZ-CD2 4.28Å; F823-F834 AromaticContact CZ-CE2 3.41Å; F823-F834 HydrophobicContact CZ-CE2 3.41Å; F823-F834 VanDerWaalsContact CZ-CE2 3.41Å; F823-F834 AromaticContact CZ-CZ 3.77Å; F823-F834 HydrophobicContact CZ-CZ 3.77Å; F829-F834 HydrophobicContact CB-CB 4.15Å; F829-F834 HydrophobicContact CD2-CD2 4.46Å; H830-F834 WeakPolarHBondContact O-CB 3.39Å; H830-F834 PolarHBondContact O-N 3.29Å; Q831-F834 WeakPolarHBondContact O-CB 3.42Å; Q831-F834 PolarHBondContact O-N 2.69Å; H832-F834 VanDerWaalsContact C-N 3.29Å; H832-F834 PolarHBondContact O-N 3.29Å; F834-S836 PolarHBondContact O-N 2.81Å; F834-S836 VanDerWaalsContact O-N 3.15Å; F834-Y837 PolarHBondContact O-N 2.85Å; F834-Y837 VanDerWaalsContact O-N 3.11Å; F834-A838 HydrophobicContact CD1-CB 4.48Å; F834-A838 HydrophobicContact CD2-CB 3.68Å; F834-A838 HydrophobicContact CE1-CB 4.21Å; F834-A838 HydrophobicContact CE2-CB 3.33Å; F834-A838 HydrophobicContact CG-CB 4.23Å; F834-A838 HydrophobicContact CZ-CB 3.64Å; F834-A838 WeakPolarHBondContact O-CB 3.48Å; F834-A838 PolarHBondContact O-N 3.07Å; F834-P845 HydrophobicContact CD2-CG 4.29Å; F834-P845 HydrophobicContact CE2-CG 4.35Å
835E74.8Confident74Confident112 Ų11264 Ų6452%0.52334%0.344SS..Hα-helixtrans-58-30.2178.3-72.2170.1-17600113Q831Q831-E835 HydrophobicContact CG-CG 4.43Å; Q831-E835 VanDerWaalsContact CG-OE1 3.32Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.41Å; Q831-E835 PolarHBondContact NE2-OE1 2.78Å; Q831-E835 WeakPolarHBondContact O-CG 3.45Å; Q831-E835 PolarHBondContact O-N 2.85Å
836S70.6Confident74.1Confident68 Ų6864.5 Ų64.548%0.47635%0.346SS..THydrogen-bonded Turntrans-79.6-21-179.4-58.20000114.4H832 F834H832-S836 WeakPolarHBondContact O-CB 3.16Å; H832-S836 PolarHBondContact O-N 3.38Å; H832-S836 VanDerWaalsContact O-N 3.15Å; H832-S836 PolarHBondContact O-OG 3.39Å; F834-S836 PolarHBondContact O-N 2.81Å; F834-S836 VanDerWaalsContact O-N 3.15Å
837Y63.6Low74.2Confident161 Ų16164.1 Ų64.163%0.63134%0.343SS*.THydrogen-bonded Turntrans-129.8-10.9-170.2-72.9-87.1000114.6M811 C833 F834M811-Y837 HydrophobicContact CE-CD1 3.77Å; M811-Y837 HydrophobicContact CE-CD2 4.13Å; M811-Y837 HydrophobicContact CE-CE1 4.26Å; M811-Y837 HydrophobicContact CE-CG 3.7Å; C833-Y837 WeakPolarHBondContact O-CD2 3.07Å; F834-Y837 PolarHBondContact O-N 2.85Å; F834-Y837 VanDerWaalsContact O-N 3.11Å
838A64.9Low74Confident24 Ų2463.8 Ų63.820%0.19834%0.344CS..  trans-89.4130.117600000110.6F834 S840 P845F834-A838 HydrophobicContact CD1-CB 4.48Å; F834-A838 HydrophobicContact CD2-CB 3.68Å; F834-A838 HydrophobicContact CE1-CB 4.21Å; F834-A838 HydrophobicContact CE2-CB 3.33Å; F834-A838 HydrophobicContact CG-CB 4.23Å; F834-A838 HydrophobicContact CZ-CB 3.64Å; F834-A838 WeakPolarHBondContact O-CB 3.48Å; F834-A838 PolarHBondContact O-N 3.07Å; A838-S840 VanDerWaalsContact C-N 3.28Å; A838-P845 HydrophobicContact CB-CG 4.04Å
839E61.8Low73.7Confident176 Ų17667.2 Ų67.282%0.82237%0.366SS*.SBendtrans-77.1-16.7172.3-65.3-177.2165.300112.1
840S65.9Low73.4Confident51 Ų5174 Ų7436%0.35740%0.397SS..SBendtrans-152140.6-177.8177.10000111.5A838 A842 E843A838-S840 VanDerWaalsContact C-N 3.28Å; S840-A842 PolarHBondContact O-N 3.2Å; S840-A842 VanDerWaalsContact O-N 3.11Å; S840-E843 PolarHBondContact O-N 3.44Å
841D67Low73.2Confident141 Ų14177.5 Ų77.575%0.75442%0.417SS*.THydrogen-bonded Turntrans-64.5-15.5-178.6-68-18.7000113.9
842A67.4Low73.1Confident83 Ų8380.2 Ų80.269%0.68642%0.424SS*.THydrogen-bonded Turntrans-100.9-4.2-174.900000114.3S840S840-A842 PolarHBondContact O-N 3.2Å; S840-A842 VanDerWaalsContact O-N 3.11Å
843E74.3Confident73.1Confident84 Ų8480.6 Ų80.639%0.39342%0.424SS..SBendtrans-119.3139.3-170.4-63.7-171-173.200113.4F823 S840 P845 T848F823-E843 VanDerWaalsContact CZ-C 3.49Å; F823-E843 WeakPolarHBondContact CZ-O 3.37Å; S840-E843 PolarHBondContact O-N 3.44Å; E843-P845 WeakPolarHBondContact O-CD 3.12Å; E843-T848 VanDerWaalsContact OE2-CG2 3.28Å; E843-T848 WeakPolarHBondContact OE2-CG2 3.33Å; E843-T848 PolarHBondContact OE2-OG1 3.1Å
844C79Confident73.2Confident11 Ų1183.3 Ų83.37%0.07444%0.44CS..  trans-82116.4177.4174.30000110.7F823 C825 H827 T846 C847 T848F823-C844 HydrophobicContact CB-CB 4.08Å; F823-C844 HydrophobicContact CD1-CB 3.78Å; F823-C844 HydrophobicContact CD2-CB 3.94Å; F823-C844 HydrophobicContact CE1-CB 4.18Å; F823-C844 HydrophobicContact CE2-CB 4.32Å; F823-C844 HydrophobicContact CG-CB 3.65Å; F823-C844 HydrophobicContact CZ-CB 4.43Å; C825-C844 PolarHBondContact SG-SG 3.37Å; H827-C844 PolarHBondContact ND1-SG 3.38Å; C844-T846 PolarHBondContact O-N 3.17Å; C844-C847 HydrophobicContact CB-CB 4.33Å; C844-C847 PolarHBondContact O-N 3.2Å; C844-T848 PolarHBondContact O-N 2.93Å; C844-T848 PolarHBondContact O-OG1 3.38Å
845P75.2Confident72.9Confident32 Ų3285.3 Ų85.321%0.20845%0.45CS..THydrogen-bonded Turntrans-55.7-30.8-174-26.734.7000114.8F834 A838 E843 P849F834-P845 HydrophobicContact CD2-CG 4.29Å; F834-P845 HydrophobicContact CE2-CG 4.35Å; A838-P845 HydrophobicContact CB-CG 4.04Å; E843-P845 WeakPolarHBondContact O-CD 3.12Å; P845-P849 WeakPolarHBondContact O-CD 3.49Å
846T77.6Confident73Confident64 Ų6483.2 Ų83.239%0.39344%0.442SS..THydrogen-bonded Turntrans-75.8-31.9179.2-44.10000113.5C844C844-T846 PolarHBondContact O-N 3.17Å
847C78.4Confident73Confident30 Ų3085.5 Ų85.520%0.20345%0.448CS..THydrogen-bonded Turntrans-98.5-22.7-175.2-63.70000112.6H827 C844 P849 E850 N851H827-C847 VanDerWaalsContact CE1-SG 3.51Å; H827-C847 PolarHBondContact ND1-SG 3.45Å; H827-C847 VanDerWaalsContact ND1-SG 3.45Å; C844-C847 HydrophobicContact CB-CB 4.33Å; C844-C847 PolarHBondContact O-N 3.2Å; C847-P849 VanDerWaalsContact C-CD 3.45Å; C847-E850 PolarHBondContact O-N 3.44Å; C847-N851 WeakPolarHBondContact O-CB 3.45Å; C847-N851 PolarHBondContact O-N 3.29Å; C847-N851 PolarHBondContact O-ND2 3.13Å
848T77.4Confident73.4Confident29 Ų2980.2 Ų80.218%0.17843%0.431CS..Hα-helixtrans-48.5-46.5176.6-61.80000114.3E843 C844 E850 N851 R852E843-T848 VanDerWaalsContact OE2-CG2 3.28Å; E843-T848 WeakPolarHBondContact OE2-CG2 3.33Å; E843-T848 PolarHBondContact OE2-OG1 3.1Å; C844-T848 PolarHBondContact O-N 2.93Å; C844-T848 PolarHBondContact O-OG1 3.38Å; T848-E850 PolarHBondContact O-N 3.19Å; T848-N851 PolarHBondContact O-N 3.14Å; T848-R852 WeakPolarHBondContact O-CB 3.27Å; T848-R852 PolarHBondContact O-N 3.1Å
849P76.1Confident73.6Confident72 Ų7284.6 Ų84.647%0.46844%0.442SS..Hα-helixtrans-65.4-35.2-175.822.3-32.7000114.1P845 C847 K853P845-P849 WeakPolarHBondContact O-CD 3.49Å; C847-P849 VanDerWaalsContact C-CD 3.45Å; P849-K853 WeakPolarHBondContact O-CG 3.33Å; P849-K853 PolarHBondContact O-N 3.33Å
850E76.4Confident74Confident141 Ų14177.9 Ų77.966%0.65942%0.417SS*.Hα-helixtrans-77.8-42.8177.2-67.9-173.6163.800111.6C847 T848 R852 K853 V854C847-E850 PolarHBondContact O-N 3.44Å; T848-E850 PolarHBondContact O-N 3.19Å; E850-R852 PolarHBondContact O-N 2.79Å; E850-K853 PolarHBondContact O-N 3.42Å; E850-V854 PolarHBondContact O-N 3.39Å
851N76.8Confident74Confident99 Ų9979.6 Ų79.653%0.52942%0.419SS..Hα-helixtrans-59.8-38.3174.2-70.1-14.4000111.3C847 T848 K853 V854 M855C847-N851 WeakPolarHBondContact O-CB 3.45Å; C847-N851 PolarHBondContact O-N 3.29Å; C847-N851 PolarHBondContact O-ND2 3.13Å; T848-N851 PolarHBondContact O-N 3.14Å; N851-K853 PolarHBondContact O-N 3.2Å; N851-V854 PolarHBondContact O-N 3.08Å; N851-M855 WeakPolarHBondContact O-CB 2.98Å; N851-M855 WeakPolarHBondContact O-CG 3.45Å; N851-M855 PolarHBondContact O-N 3.43Å
852R77.9Confident73.9Confident133 Ų13375.8 Ų75.850%0.50240%0.399SS..Hα-helixtrans-62.9-41.8176.7-171.3170.8-177.7163.61.4112.1T848 E850 V854 M855 D856T848-R852 WeakPolarHBondContact O-CB 3.27Å; T848-R852 PolarHBondContact O-N 3.1Å; E850-R852 PolarHBondContact O-N 2.79Å; R852-V854 VanDerWaalsContact C-N 3.32Å; R852-V854 PolarHBondContact O-N 3.37Å; R852-M855 PolarHBondContact O-N 2.8Å; R852-D856 VanDerWaalsContact O-CB 3.31Å; R852-D856 WeakPolarHBondContact O-CB 3.38Å; R852-D856 PolarHBondContact O-N 3.46Å
853K77.1Confident73.8Confident144 Ų14478.6 Ų78.663%0.62640%0.398SS*.Hα-helixtrans-59.6-42.9174.7-71174.2-175.9174.80112P849 E850 N851 D856 L857P849-K853 WeakPolarHBondContact O-CG 3.33Å; P849-K853 PolarHBondContact O-N 3.33Å; E850-K853 PolarHBondContact O-N 3.42Å; N851-K853 PolarHBondContact O-N 3.2Å; K853-D856 PolarHBondContact O-N 3.29Å; K853-L857 VanDerWaalsContact O-CG 3.31Å; K853-L857 WeakPolarHBondContact O-CG 3.48Å; K853-L857 PolarHBondContact O-N 3.32Å
854V76.9Confident73.3Confident84 Ų8480 Ų8051%0.50940%0.403SS..Hα-helixtrans-66.6-43.6177.6178.60000110.8E850 N851 R852 D856 L857 L858E850-V854 PolarHBondContact O-N 3.39Å; N851-V854 PolarHBondContact O-N 3.08Å; R852-V854 VanDerWaalsContact C-N 3.32Å; R852-V854 PolarHBondContact O-N 3.37Å; V854-D856 VanDerWaalsContact C-N 3.32Å; V854-D856 PolarHBondContact O-N 3.47Å; V854-L857 PolarHBondContact O-N 3.21Å; V854-L858 HydrophobicContact CG1-CD1 4.24Å; V854-L858 WeakPolarHBondContact O-CG 3.25Å; V854-L858 PolarHBondContact O-N 3.28Å
855M72.4Confident72.5Confident52 Ų5282 Ų8226%0.25641%0.409SS..Hα-helixtrans-64.6-35.5177-68.6-71.7-76.200112.6N851 R852 R859 L899N851-M855 WeakPolarHBondContact O-CB 2.98Å; N851-M855 WeakPolarHBondContact O-CG 3.45Å; N851-M855 PolarHBondContact O-N 3.43Å; R852-M855 PolarHBondContact O-N 2.8Å; M855-R859 WeakPolarHBondContact O-CB 3.45Å; M855-R859 WeakPolarHBondContact O-CG 3.45Å; M855-R859 PolarHBondContact O-N 3.35Å; M855-L899 HydrophobicContact CE-CB 4.08Å; M855-L899 HydrophobicContact CE-CD1 3.99Å; M855-L899 HydrophobicContact CE-CD2 3.61Å; M855-L899 HydrophobicContact CE-CG 4.08Å; M855-L899 HydrophobicContact SD-CD2 3.64Å
856D75.4Confident71.7Confident69 Ų6986 Ų8637%0.36943%0.429SS..Hα-helixtrans-72.3-37.1176.8-68.8-12.5000111.2R852 K853 V854 R859 A860R852-D856 VanDerWaalsContact O-CB 3.31Å; R852-D856 WeakPolarHBondContact O-CB 3.38Å; R852-D856 PolarHBondContact O-N 3.46Å; K853-D856 PolarHBondContact O-N 3.29Å; V854-D856 VanDerWaalsContact C-N 3.32Å; V854-D856 PolarHBondContact O-N 3.47Å; D856-R859 PolarHBondContact O-N 3.4Å; D856-R859 IonicContact OD1-CZ 3.77Å; D856-R859 IonicContact OD1-NE 2.68Å; D856-R859 IonicContact OD1-NH2 3.12Å; D856-R859 PolarHBondContact OD1-NH2 3.17Å; D856-A860 VanDerWaalsContact O-CB 3.29Å; D856-A860 WeakPolarHBondContact O-CB 3.03Å; D856-A860 PolarHBondContact O-N 3.2Å
857L71.9Confident71.1Confident115 Ų11587.8 Ų87.860%0.60244%0.435SS*.Hα-helixtrans-63.6-44.2171.1-74.5170.9000111.9K853 V854 A860 Q861K853-L857 VanDerWaalsContact O-CG 3.31Å; K853-L857 WeakPolarHBondContact O-CG 3.48Å; K853-L857 PolarHBondContact O-N 3.32Å; V854-L857 PolarHBondContact O-N 3.21Å; L857-A860 PolarHBondContact O-N 3.28Å; L857-Q861 WeakPolarHBondContact O-CG 3.48Å; L857-Q861 PolarHBondContact O-N 2.68Å
858L70.6Confident70.6Confident51 Ų5191 Ų9127%0.26745%0.447SS..Hα-helixtrans-63.4-41.7175.3-68.8171.4000111.5V854 Q861 D862 L897V854-L858 HydrophobicContact CG1-CD1 4.24Å; V854-L858 WeakPolarHBondContact O-CG 3.25Å; V854-L858 PolarHBondContact O-N 3.28Å; L858-Q861 PolarHBondContact O-N 3.32Å; L858-D862 PolarHBondContact O-N 3.44Å; L858-L897 HydrophobicContact CD2-CD1 4.04Å
859R70.8Confident70.2Confident115 Ų11594.8 Ų94.843%0.43447%0.466SS..Hα-helixtrans-63.9-42174-83.6-174.3-81.2-170.5-4112.6M855 D856 Q861 D862 Q863 L899M855-R859 WeakPolarHBondContact O-CB 3.45Å; M855-R859 WeakPolarHBondContact O-CG 3.45Å; M855-R859 PolarHBondContact O-N 3.35Å; D856-R859 PolarHBondContact O-N 3.4Å; D856-R859 IonicContact OD1-CZ 3.77Å; D856-R859 IonicContact OD1-NE 2.68Å; D856-R859 IonicContact OD1-NH2 3.12Å; D856-R859 PolarHBondContact OD1-NH2 3.17Å; R859-Q861 VanDerWaalsContact C-N 3.28Å; R859-Q861 PolarHBondContact O-N 2.71Å; R859-D862 PolarHBondContact O-N 3.32Å; R859-Q863 WeakPolarHBondContact O-CB 2.98Å; R859-Q863 VanDerWaalsContact O-CG 3.26Å; R859-Q863 WeakPolarHBondContact O-CG 3.23Å; R859-Q863 PolarHBondContact O-N 3.36Å; R859-L899 HydrophobicContact CG-CD1 3.96Å
860A68.9Low70Confident36 Ų3696 Ų9630%0.29847%0.465SS..Hα-helixtrans-65.5-32.6176.600000112.2D856 L857 K864D856-A860 VanDerWaalsContact O-CB 3.29Å; D856-A860 WeakPolarHBondContact O-CB 3.03Å; D856-A860 PolarHBondContact O-N 3.2Å; L857-A860 PolarHBondContact O-N 3.28Å; A860-K864 VanDerWaalsContact O-CG 3.29Å; A860-K864 WeakPolarHBondContact O-CG 3.44Å; A860-K864 PolarHBondContact O-N 3.25Å
861Q65.7Low69.8Low86 Ų8690.3 Ų90.340%0.40244%0.439SS..Hα-helixtrans-70.4-43.7172.1-75.4-179.2-6.100111.8L857 L858 R859 Q863 K864 R865L857-Q861 WeakPolarHBondContact O-CG 3.48Å; L857-Q861 PolarHBondContact O-N 2.68Å; L858-Q861 PolarHBondContact O-N 3.32Å; R859-Q861 VanDerWaalsContact C-N 3.28Å; R859-Q861 PolarHBondContact O-N 2.71Å; Q861-Q863 PolarHBondContact O-N 3.34Å; Q861-K864 PolarHBondContact O-N 2.9Å; Q861-K864 VanDerWaalsContact O-N 3.14Å; Q861-R865 PolarHBondContact O-N 3.43Å
862D65.1Low69.5Low61 Ų6187.8 Ų87.833%0.32643%0.425SS..Hα-helixtrans-65-38.9177.5-160.437.8000111.9L858 R859 K864 R865L858-D862 PolarHBondContact O-N 3.44Å; R859-D862 PolarHBondContact O-N 3.32Å; D862-K864 PolarHBondContact O-N 3.32Å; D862-R865 WeakPolarHBondContact O-CB 3.05Å; D862-R865 PolarHBondContact O-N 3.39Å; D862-R865 VanDerWaalsContact O-N 3.09Å; D862-R865 IonicContact OD1-CZ 3.16Å; D862-R865 VanDerWaalsContact OD1-CZ 3.26Å; D862-R865 IonicContact OD1-NE 3.52Å; D862-R865 IonicContact OD1-NH1 2.76Å; D862-R865 PolarHBondContact OD1-NH1 3.41Å; D862-R865 IonicContact OD1-NH2 2.7Å
863Q66.9Low69.3Low143 Ų14389.8 Ų89.867%0.66843%0.433SS*.Hα-helixtrans-62.8-30.3173.2-74.81741.300113.1R859 Q861 R865R859-Q863 WeakPolarHBondContact O-CB 2.98Å; R859-Q863 VanDerWaalsContact O-CG 3.26Å; R859-Q863 WeakPolarHBondContact O-CG 3.23Å; R859-Q863 PolarHBondContact O-N 3.36Å; Q861-Q863 PolarHBondContact O-N 3.34Å; Q863-R865 VanDerWaalsContact C-N 3.3Å
864K62.7Low68.9Low113 Ų11386.7 Ų86.749%0.49142%0.42SS..G310 helixtrans-83.2-5.5177.2-73.1176.1-176.7179.20113.2A860 Q861 D862 D866A860-K864 VanDerWaalsContact O-CG 3.29Å; A860-K864 WeakPolarHBondContact O-CG 3.44Å; A860-K864 PolarHBondContact O-N 3.25Å; Q861-K864 PolarHBondContact O-N 2.9Å; Q861-K864 VanDerWaalsContact O-N 3.14Å; D862-K864 PolarHBondContact O-N 3.32Å; K864-D866 VanDerWaalsContact C-N 3.28Å; K864-D866 PolarHBondContact O-N 3.33Å
865R61.3Low68.8Low53 Ų5385.4 Ų85.420%0.241%0.411CS..G310 helixtrans-62.4-35.3176.4-172.8-178.367.4-146.7-11.7112.3Q861 D862 Q863 Y888Q861-R865 PolarHBondContact O-N 3.43Å; D862-R865 WeakPolarHBondContact O-CB 3.05Å; D862-R865 PolarHBondContact O-N 3.39Å; D862-R865 VanDerWaalsContact O-N 3.09Å; D862-R865 IonicContact OD1-CZ 3.16Å; D862-R865 VanDerWaalsContact OD1-CZ 3.26Å; D862-R865 IonicContact OD1-NE 3.52Å; D862-R865 IonicContact OD1-NH1 2.76Å; D862-R865 PolarHBondContact OD1-NH1 3.41Å; D862-R865 IonicContact OD1-NH2 2.7Å; Q863-R865 VanDerWaalsContact C-N 3.3Å; R865-Y888 PolarHBondContact O-OH 3.43Å
866D60.2Low68.4Low117 Ų11793.6 Ų93.663%0.62644%0.438SS*.G310 helixtrans-94.64.5-168.3-58.3-21.9000113K864 H868K864-D866 VanDerWaalsContact C-N 3.28Å; K864-D866 PolarHBondContact O-N 3.33Å; D866-H868 PolarHBondContact O-N 2.74Å
867L64.8Low67.8Low101 Ų10194.7 Ų94.753%0.52945%0.452SS..  trans-95.757.7-179.7-67.7170.3000112.3D869 H870 F871L867-D869 PolarHBondContact O-N 2.81Å; L867-H870 HydrophobicContact CB-CB 4.22Å; L867-H870 PolarHBondContact O-N 2.94Å; L867-H870 VanDerWaalsContact O-N 3.12Å; L867-F871 PolarHBondContact O-N 3.26Å
868H67.6Low67.4Low96 Ų9691 Ų9144%0.44444%0.435SS..Hα-helixtrans-59.3-32-178.9-169.156.2000113D866 H870 F871 N872D866-H868 PolarHBondContact O-N 2.74Å; H868-H870 PolarHBondContact O-N 3.49Å; H868-F871 WeakPolarHBondContact O-CB 3.47Å; H868-F871 PolarHBondContact O-N 3.21Å; H868-N872 PolarHBondContact CD2-ND2 3.07Å; H868-N872 PolarHBondContact NE2-ND2 3.43Å; H868-N872 PolarHBondContact O-N 3.17Å; H868-N872 PolarHBondContact O-ND2 3.29Å
869D69.1Low66.8Low110 Ų11097 Ų9759%0.58847%0.468SS*.Hα-helixtrans-67.1-34.4177.7-72.4-22.4000113.3L867 N872 R873L867-D869 PolarHBondContact O-N 2.81Å; D869-N872 PolarHBondContact O-N 3.43Å; D869-R873 VanDerWaalsContact O-CG 3.3Å; D869-R873 WeakPolarHBondContact O-CG 3.34Å; D869-R873 PolarHBondContact O-N 3.34Å
870H71.6Confident66.7Low96 Ų9695 Ų9544%0.44447%0.466SS..Hα-helixtrans-69.4-41.2176.4-176.8-84.8000110.7L867 H868 R873 Q874L867-H870 HydrophobicContact CB-CB 4.22Å; L867-H870 PolarHBondContact O-N 2.94Å; L867-H870 VanDerWaalsContact O-N 3.12Å; H868-H870 PolarHBondContact O-N 3.49Å; H870-R873 PolarHBondContact O-N 3.43Å; H870-Q874 PolarHBondContact CE1-NE2 2.9Å; H870-Q874 VanDerWaalsContact CE1-NE2 3.29Å; H870-Q874 PolarHBondContact CE1-OE1 3.02Å; H870-Q874 VanDerWaalsContact CE1-OE1 3.31Å; H870-Q874 PolarHBondContact ND1-OE1 3.33Å; H870-Q874 WeakPolarHBondContact O-CG 3.4Å; H870-Q874 PolarHBondContact O-N 3.23Å
871F72.6Confident66.8Low23 Ų2394.6 Ų94.610%0.10147%0.465CS..Hα-helixtrans-59.5-48.3171.7167.3-100.7000111.5L867 H868 R873 Q874 L875 V884 V885 Y888L867-F871 PolarHBondContact O-N 3.26Å; H868-F871 WeakPolarHBondContact O-CB 3.47Å; H868-F871 PolarHBondContact O-N 3.21Å; F871-R873 VanDerWaalsContact C-N 3.3Å; F871-R873 PolarHBondContact O-N 3.46Å; F871-Q874 PolarHBondContact O-N 2.99Å; F871-Q874 VanDerWaalsContact O-N 3.15Å; F871-L875 HydrophobicContact CE1-CD2 4.15Å; F871-L875 HydrophobicContact CZ-CD1 4.33Å; F871-L875 HydrophobicContact CZ-CD2 4.11Å; F871-L875 WeakPolarHBondContact O-CB 3.44Å; F871-L875 PolarHBondContact O-N 3.47Å; F871-V884 HydrophobicContact CD2-CG1 4.01Å; F871-V884 HydrophobicContact CE2-CG1 3.9Å; F871-V885 HydrophobicContact CE2-CG2 4.24Å; F871-V885 HydrophobicContact CZ-CG2 3.86Å; F871-Y888 HydrophobicContact CB-CD2 3.92Å; F871-Y888 HydrophobicContact CB-CE2 3.73Å; F871-Y888 HydrophobicContact CD2-CD1 4.07Å; F871-Y888 AromaticContact CD2-CD2 3.67Å; F871-Y888 HydrophobicContact CD2-CD2 3.67Å; F871-Y888 HydrophobicContact CD2-CE2 4.29Å; F871-Y888 AromaticContact CD2-CG 3.53Å; F871-Y888 HydrophobicContact CD2-CG 3.53Å; F871-Y888 HydrophobicContact CE2-CD1 4.19Å; F871-Y888 HydrophobicContact CE2-CD2 4.45Å; F871-Y888 AromaticContact CE2-CG 3.87Å; F871-Y888 HydrophobicContact CE2-CG 3.87Å; F871-Y888 HydrophobicContact CG-CD1 4.26Å; F871-Y888 AromaticContact CG-CD2 3.92Å; F871-Y888 HydrophobicContact CG-CD2 3.92Å; F871-Y888 HydrophobicContact CG-CE1 4.4Å; F871-Y888 HydrophobicContact CG-CE2 4.07Å; F871-Y888 HydrophobicContact CG-CG 4.01Å
872N70.1Confident67.2Low46 Ų4698.2 Ų98.225%0.24648%0.48CS..Hα-helixtrans-62.9-35.4179.6-76.2-27.9000112.6H868 D869 R876H868-N872 PolarHBondContact CD2-ND2 3.07Å; H868-N872 PolarHBondContact NE2-ND2 3.43Å; H868-N872 PolarHBondContact O-N 3.17Å; H868-N872 PolarHBondContact O-ND2 3.29Å; D869-N872 PolarHBondContact O-N 3.43Å; N872-R876 WeakPolarHBondContact O-CB 3.43Å; N872-R876 WeakPolarHBondContact O-CG 3.48Å; N872-R876 PolarHBondContact O-N 3.39Å
873R72.9Confident67.7Low174 Ų17498.3 Ų98.366%0.65749%0.485SS*.Hα-helixtrans-66.9-46.1172.3-72.4177.2-148.6166.96.6111.7D869 H870 F871 L875 R876 S877D869-R873 VanDerWaalsContact O-CG 3.3Å; D869-R873 WeakPolarHBondContact O-CG 3.34Å; D869-R873 PolarHBondContact O-N 3.34Å; H870-R873 PolarHBondContact O-N 3.43Å; F871-R873 VanDerWaalsContact C-N 3.3Å; F871-R873 PolarHBondContact O-N 3.46Å; R873-L875 VanDerWaalsContact C-N 3.34Å; R873-L875 PolarHBondContact O-N 3.41Å; R873-R876 PolarHBondContact O-N 3.36Å; R873-S877 WeakPolarHBondContact O-CB 3.45Å; R873-S877 PolarHBondContact O-N 3.47Å; R873-S877 PolarHBondContact O-OG 3.33Å; R873-S877 VanDerWaalsContact O-OG 3.06Å
874Q69.6Low68.1Low79 Ų7993 Ų9337%0.36946%0.462SS..Hα-helixtrans-61.3-43.3177.9-75.8-173.5-46.100111.7H870 F871 R876 S877 S878 V884H870-Q874 PolarHBondContact CE1-NE2 2.9Å; H870-Q874 VanDerWaalsContact CE1-NE2 3.29Å; H870-Q874 PolarHBondContact CE1-OE1 3.02Å; H870-Q874 VanDerWaalsContact CE1-OE1 3.31Å; H870-Q874 PolarHBondContact ND1-OE1 3.33Å; H870-Q874 WeakPolarHBondContact O-CG 3.4Å; H870-Q874 PolarHBondContact O-N 3.23Å; F871-Q874 PolarHBondContact O-N 2.99Å; F871-Q874 VanDerWaalsContact O-N 3.15Å; Q874-R876 PolarHBondContact O-N 3.43Å; Q874-S877 WeakPolarHBondContact CA-OG 3.33Å; Q874-S877 PolarHBondContact O-N 3.41Å; Q874-S877 PolarHBondContact O-OG 3.35Å; Q874-S878 WeakPolarHBondContact O-CB 3.41Å; Q874-S878 PolarHBondContact O-N 3.4Å; Q874-S878 PolarHBondContact O-OG 3.35Å; Q874-V884 HydrophobicContact CB-CG1 4.17Å
875L74.1Confident68.8Low58 Ų5889.7 Ų89.730%0.30445%0.451SS..Hα-helixtrans-62.7-40.2176.6-169.772.8000112.4F871 R873 S877 G881 V884 V885F871-L875 HydrophobicContact CE1-CD2 4.15Å; F871-L875 HydrophobicContact CZ-CD1 4.33Å; F871-L875 HydrophobicContact CZ-CD2 4.11Å; F871-L875 WeakPolarHBondContact O-CB 3.44Å; F871-L875 PolarHBondContact O-N 3.47Å; R873-L875 VanDerWaalsContact C-N 3.34Å; R873-L875 PolarHBondContact O-N 3.41Å; L875-S877 VanDerWaalsContact C-N 3.3Å; L875-G881 WeakPolarHBondContact CD1-O 3.48Å; L875-V884 HydrophobicContact CD1-CB 4.45Å; L875-V885 HydrophobicContact CD1-CG2 3.81Å
876R65.1Low69.5Low223 Ų22389.6 Ų89.684%0.84246%0.462SS*.Hα-helixtrans-71.7-25.5176.9-74.2175.8-174.8-153.72.6113.2N872 R873 Q874N872-R876 WeakPolarHBondContact O-CB 3.43Å; N872-R876 WeakPolarHBondContact O-CG 3.48Å; N872-R876 PolarHBondContact O-N 3.39Å; R873-R876 PolarHBondContact O-N 3.36Å; Q874-R876 PolarHBondContact O-N 3.43Å
877S62.1Low70.1Confident93 Ų9388.3 Ų88.365%0.6546%0.455SS*.Hα-helixtrans-95.9-14.7-178.466.50000114.3R873 Q874 L875R873-S877 WeakPolarHBondContact O-CB 3.45Å; R873-S877 PolarHBondContact O-N 3.47Å; R873-S877 PolarHBondContact O-OG 3.33Å; R873-S877 VanDerWaalsContact O-OG 3.06Å; Q874-S877 WeakPolarHBondContact CA-OG 3.33Å; Q874-S877 PolarHBondContact O-N 3.41Å; Q874-S877 PolarHBondContact O-OG 3.35Å; L875-S877 VanDerWaalsContact C-N 3.3Å
878S64.3Low70.5Confident37 Ų3784.9 Ų84.926%0.25944%0.435SS..  trans-91137.5-17675.20000111.4Q874 D880 V884Q874-S878 WeakPolarHBondContact O-CB 3.41Å; Q874-S878 PolarHBondContact O-N 3.4Å; Q874-S878 PolarHBondContact O-OG 3.35Å; S878-D880 PolarHBondContact O-N 3.44Å; S878-D880 PolarHBondContact OG-O 3.5Å; S878-V884 WeakPolarHBondContact OG-CG2 3.44Å
879N57.8Low70.7Confident178 Ų17885.9 Ų85.995%0.95244%0.439SS*.SBendtrans-72.3-19.2172.7-66.6-18000112.2
880D67.5Low70.6Confident73 Ų7383.8 Ų83.839%0.3944%0.443SS..  trans-120.497.8173.8179.87.3000109.6S878 F882 S883S878-D880 PolarHBondContact O-N 3.44Å; S878-D880 PolarHBondContact OG-O 3.5Å; D880-F882 PolarHBondContact OD1-N 3.21Å; D880-F882 VanDerWaalsContact OD1-N 3.15Å; D880-S883 PolarHBondContact OD1-N 3.32Å; D880-S883 VanDerWaalsContact OD2-CB 3.27Å; D880-S883 WeakPolarHBondContact OD2-CB 3.36Å; D880-S883 PolarHBondContact OD2-OG 3.12Å
881G71.3Confident70.6Confident27 Ų2782.5 Ų82.528%0.27843%0.434SS..Hα-helixtrans-76.7-25.3-179.700000113.4L875 V884 V885L875-G881 WeakPolarHBondContact CD1-O 3.48Å; G881-V884 PolarHBondContact O-N 3.47Å; G881-V885 WeakPolarHBondContact O-CG2 3.49Å; G881-V885 PolarHBondContact O-N 3.07Å
882F75.1Confident70.2Confident162 Ų16282.6 Ų82.671%0.71144%0.442SS*.Hα-helixtrans-70.8-43.4-175.5-178.2-97.1000111.4D880 V884 V885 A886D880-F882 PolarHBondContact OD1-N 3.21Å; D880-F882 VanDerWaalsContact OD1-N 3.15Å; F882-V884 VanDerWaalsContact C-N 3.3Å; F882-V884 PolarHBondContact O-N 3.43Å; F882-V885 WeakPolarHBondContact O-CB 3.16Å; F882-V885 PolarHBondContact O-N 3.48Å; F882-A886 WeakPolarHBondContact O-CB 3.25Å; F882-A886 PolarHBondContact O-N 3.45Å
883S74.9Confident70Confident63 Ų6382.3 Ų82.344%0.44144%0.442SS..Hα-helixtrans-61.2-38.6176.1-66.80000112.5D880 A886 D887D880-S883 PolarHBondContact OD1-N 3.32Å; D880-S883 VanDerWaalsContact OD2-CB 3.27Å; D880-S883 WeakPolarHBondContact OD2-CB 3.36Å; D880-S883 PolarHBondContact OD2-OG 3.12Å; S883-A886 PolarHBondContact O-N 2.7Å; S883-D887 PolarHBondContact O-N 2.96Å
884V75Confident69.6Low31 Ų3181.6 Ų81.619%0.18844%0.444CS..Hα-helixtrans-67-39.4177178.20000111.1F871 Q874 L875 S878 G881 F882 Y888F871-V884 HydrophobicContact CD2-CG1 4.01Å; F871-V884 HydrophobicContact CE2-CG1 3.9Å; Q874-V884 HydrophobicContact CB-CG1 4.17Å; L875-V884 HydrophobicContact CD1-CB 4.45Å; S878-V884 WeakPolarHBondContact OG-CG2 3.44Å; G881-V884 PolarHBondContact O-N 3.47Å; F882-V884 VanDerWaalsContact C-N 3.3Å; F882-V884 PolarHBondContact O-N 3.43Å; V884-Y888 WeakPolarHBondContact O-CB 3.36Å; V884-Y888 PolarHBondContact O-N 2.74Å; V884-Y888 VanDerWaalsContact O-N 3.1Å
885V77.4Confident69.1Low43 Ų4383.9 Ų83.926%0.26146%0.459SS..Hα-helixtrans-64.1-48.2174173.30000110.7F871 L875 G881 F882 D887 Y888 F889F871-V885 HydrophobicContact CE2-CG2 4.24Å; F871-V885 HydrophobicContact CZ-CG2 3.86Å; L875-V885 HydrophobicContact CD1-CG2 3.81Å; G881-V885 WeakPolarHBondContact O-CG2 3.49Å; G881-V885 PolarHBondContact O-N 3.07Å; F882-V885 WeakPolarHBondContact O-CB 3.16Å; F882-V885 PolarHBondContact O-N 3.48Å; V885-D887 PolarHBondContact O-N 3.37Å; V885-Y888 WeakPolarHBondContact O-CB 3.4Å; V885-Y888 PolarHBondContact O-N 2.82Å; V885-Y888 VanDerWaalsContact O-N 3.14Å; V885-F889 HydrophobicContact CG1-CD2 3.55Å; V885-F889 HydrophobicContact CG1-CE2 3.44Å; V885-F889 VanDerWaalsContact CG1-CE2 3.44Å; V885-F889 VanDerWaalsContact O-CD2 3.26Å; V885-F889 WeakPolarHBondContact O-CD2 3.34Å; V885-F889 PolarHBondContact O-N 3.14Å
886A75.9Confident68.2Low51 Ų5188.7 Ų88.742%0.42148%0.477SS..Hα-helixtrans-60.5-43.6-178.700000112.6F882 S883 Y888 F889 G890F882-A886 WeakPolarHBondContact O-CB 3.25Å; F882-A886 PolarHBondContact O-N 3.45Å; S883-A886 PolarHBondContact O-N 2.7Å; A886-Y888 VanDerWaalsContact C-N 3.35Å; A886-F889 PolarHBondContact O-N 3.31Å; A886-G890 PolarHBondContact O-N 3.41Å
887D73.7Confident67.7Low90 Ų9082.6 Ų82.648%0.48146%0.461SS..Hα-helixtrans-63.4-40.6174.3-17862.7000111.7S883 V885 F889 G890 R891S883-D887 PolarHBondContact O-N 2.96Å; V885-D887 PolarHBondContact O-N 3.37Å; D887-F889 PolarHBondContact O-N 2.77Å; D887-G890 PolarHBondContact O-N 3.31Å; D887-R891 WeakPolarHBondContact O-CG 3.33Å; D887-R891 PolarHBondContact O-N 3.35Å; D887-R891 IonicContact OD2-CZ 3.14Å; D887-R891 VanDerWaalsContact OD2-CZ 3.27Å; D887-R891 IonicContact OD2-NE 2.7Å; D887-R891 PolarHBondContact OD2-NE 3.31Å; D887-R891 VanDerWaalsContact OD2-NE 3.13Å; D887-R891 IonicContact OD2-NH2 3.13Å; D887-R891 PolarHBondContact OD2-NH2 3.42Å
888Y73.8Confident67Low29 Ų2984.2 Ų84.211%0.11447%0.467CS..Hα-helixtrans-62.6-43.6177-167.2-107.3000112R865 F871 V884 V885 A886 G890 R891 V893R865-Y888 PolarHBondContact O-OH 3.43Å; F871-Y888 HydrophobicContact CB-CD2 3.92Å; F871-Y888 HydrophobicContact CB-CE2 3.73Å; F871-Y888 HydrophobicContact CD2-CD1 4.07Å; F871-Y888 AromaticContact CD2-CD2 3.67Å; F871-Y888 HydrophobicContact CD2-CD2 3.67Å; F871-Y888 HydrophobicContact CD2-CE2 4.29Å; F871-Y888 AromaticContact CD2-CG 3.53Å; F871-Y888 HydrophobicContact CD2-CG 3.53Å; F871-Y888 HydrophobicContact CE2-CD1 4.19Å; F871-Y888 HydrophobicContact CE2-CD2 4.45Å; F871-Y888 AromaticContact CE2-CG 3.87Å; F871-Y888 HydrophobicContact CE2-CG 3.87Å; F871-Y888 HydrophobicContact CG-CD1 4.26Å; F871-Y888 AromaticContact CG-CD2 3.92Å; F871-Y888 HydrophobicContact CG-CD2 3.92Å; F871-Y888 HydrophobicContact CG-CE1 4.4Å; F871-Y888 HydrophobicContact CG-CE2 4.07Å; F871-Y888 HydrophobicContact CG-CG 4.01Å; V884-Y888 WeakPolarHBondContact O-CB 3.36Å; V884-Y888 PolarHBondContact O-N 2.74Å; V884-Y888 VanDerWaalsContact O-N 3.1Å; V885-Y888 WeakPolarHBondContact O-CB 3.4Å; V885-Y888 PolarHBondContact O-N 2.82Å; V885-Y888 VanDerWaalsContact O-N 3.14Å; A886-Y888 VanDerWaalsContact C-N 3.35Å; Y888-G890 VanDerWaalsContact C-N 3.35Å; Y888-G890 PolarHBondContact O-N 2.94Å; Y888-R891 PolarHBondContact O-N 3.06Å; Y888-V893 HydrophobicContact CD1-CG2 3.9Å; Y888-V893 HydrophobicContact CE1-CG1 4.34Å; Y888-V893 HydrophobicContact CE1-CG2 3.72Å; Y888-V893 HydrophobicContact CG-CG2 4.49Å; Y888-V893 VanDerWaalsContact O-CG2 3.25Å; Y888-V893 WeakPolarHBondContact O-CG2 3.46Å
889F71.8Confident66.4Low118 Ų11885.4 Ų85.452%0.51847%0.47SS..Hα-helixtrans-63.2-39173.4-84.9-80.8000112.5V885 A886 D887 R891 G892 F894V885-F889 HydrophobicContact CG1-CD2 3.55Å; V885-F889 HydrophobicContact CG1-CE2 3.44Å; V885-F889 VanDerWaalsContact CG1-CE2 3.44Å; V885-F889 VanDerWaalsContact O-CD2 3.26Å; V885-F889 WeakPolarHBondContact O-CD2 3.34Å; V885-F889 PolarHBondContact O-N 3.14Å; A886-F889 PolarHBondContact O-N 3.31Å; D887-F889 PolarHBondContact O-N 2.77Å; F889-R891 PolarHBondContact O-N 3.46Å; F889-R891 VanDerWaalsContact O-N 3.15Å; F889-G892 PolarHBondContact O-N 3.37Å; F889-G892 VanDerWaalsContact O-N 3.12Å; F889-F894 HydrophobicContact CD1-CD2 4.21Å; F889-F894 AromaticContact CD1-CE2 3.72Å; F889-F894 HydrophobicContact CD1-CE2 3.72Å; F889-F894 HydrophobicContact CE1-CD2 4.15Å; F889-F894 AromaticContact CE1-CE2 3.32Å; F889-F894 HydrophobicContact CE1-CE2 3.32Å; F889-F894 HydrophobicContact CE1-CZ 4.1Å; F889-F894 HydrophobicContact CZ-CE2 4.3Å
890G66.8Low65.8Low66 Ų6683.4 Ų83.468%0.6846%0.464SS*.Hα-helixtrans-60.2-20.5177.800000114.6A886 D887 Y888 G892A886-G890 PolarHBondContact O-N 3.41Å; D887-G890 PolarHBondContact O-N 3.31Å; Y888-G890 VanDerWaalsContact C-N 3.35Å; Y888-G890 PolarHBondContact O-N 2.94Å; G890-G892 PolarHBondContact O-N 3.38Å
891R70.3Confident64.7Low68 Ų6884.5 Ų84.526%0.25747%0.473SS..THydrogen-bonded Turntrans-79.12.2176.4-63.4168.4-171.2-160.14.4114.3D887 Y888 F889D887-R891 WeakPolarHBondContact O-CG 3.33Å; D887-R891 PolarHBondContact O-N 3.35Å; D887-R891 IonicContact OD2-CZ 3.14Å; D887-R891 VanDerWaalsContact OD2-CZ 3.27Å; D887-R891 IonicContact OD2-NE 2.7Å; D887-R891 PolarHBondContact OD2-NE 3.31Å; D887-R891 VanDerWaalsContact OD2-NE 3.13Å; D887-R891 IonicContact OD2-NH2 3.13Å; D887-R891 PolarHBondContact OD2-NH2 3.42Å; Y888-R891 PolarHBondContact O-N 3.06Å; F889-R891 PolarHBondContact O-N 3.46Å; F889-R891 VanDerWaalsContact O-N 3.15Å
892G64.5Low63Low26 Ų2690.2 Ų90.227%0.26850%0.498SS..  trans82.434.8170.500000115.4F889 G890 F894 N895F889-G892 PolarHBondContact O-N 3.37Å; F889-G892 VanDerWaalsContact O-N 3.12Å; G890-G892 PolarHBondContact O-N 3.38Å; G892-F894 PolarHBondContact O-N 3.43Å; G892-N895 PolarHBondContact O-N 3.44Å
893V66.3Low61Low40 Ų4087.5 Ų87.524%0.24250%0.496CS..THydrogen-bonded Turntrans-54.1-28.3-175.4-175.90000114.2Y888Y888-V893 HydrophobicContact CD1-CG2 3.9Å; Y888-V893 HydrophobicContact CE1-CG1 4.34Å; Y888-V893 HydrophobicContact CE1-CG2 3.72Å; Y888-V893 HydrophobicContact CG-CG2 4.49Å; Y888-V893 VanDerWaalsContact O-CG2 3.25Å; Y888-V893 WeakPolarHBondContact O-CG2 3.46Å
894F64.7Low59.2Low158 Ų15891.2 Ų91.269%0.69352%0.519SS*.THydrogen-bonded Turntrans-104-9.1-175.6-61.4-80.4000115F889 G892F889-F894 HydrophobicContact CD1-CD2 4.21Å; F889-F894 AromaticContact CD1-CE2 3.72Å; F889-F894 HydrophobicContact CD1-CE2 3.72Å; F889-F894 HydrophobicContact CE1-CD2 4.15Å; F889-F894 AromaticContact CE1-CE2 3.32Å; F889-F894 HydrophobicContact CE1-CE2 3.32Å; F889-F894 HydrophobicContact CE1-CZ 4.1Å; F889-F894 HydrophobicContact CZ-CE2 4.3Å; G892-F894 PolarHBondContact O-N 3.43Å
895N59.1Low57.6Low128 Ų12893.1 Ų93.168%0.68455%0.545SS*.SBendtrans-121112.6-177.3-74-20.6000110G892 L897G892-N895 PolarHBondContact O-N 3.44Å; N895-L897 PolarHBondContact O-N 3.32Å
896K55.3Low55.3Low158 Ų15896.7 Ų96.769%0.68757%0.572SS**  trans-65.6114.7168.9-77.2-179178.9174.50108.6T898K896-T898 PolarHBondContact O-N 3.39Å
897L53.9Low53.2Low95 Ų95103.2 Ų103.250%0.49759%0.591SS.*  trans-72.2103.8170.3-77.6157.6000108.3L858 N895 L899L858-L897 HydrophobicContact CD2-CD1 4.04Å; N895-L897 PolarHBondContact O-N 3.32Å; L897-L899 PolarHBondContact O-N 3.4Å
898T48.2Very low51.3Low128 Ų128105 Ų10579%0.78561%0.605SS**  trans-72.599176.3-25.40000109.3K896 V900K896-T898 PolarHBondContact O-N 3.39Å; T898-V900 PolarHBondContact O-N 3.23Å
899L50.6Low49.4Very low61 Ų61110.8 Ų110.832%0.31964%0.643SS.*  trans-73.1108.7170.8-63.2178.8000108.2M855 R859 L897 T901M855-L899 HydrophobicContact CE-CB 4.08Å; M855-L899 HydrophobicContact CE-CD1 3.99Å; M855-L899 HydrophobicContact CE-CD2 3.61Å; M855-L899 HydrophobicContact CE-CG 4.08Å; M855-L899 HydrophobicContact SD-CD2 3.64Å; R859-L899 HydrophobicContact CG-CD1 3.96Å; L897-L899 PolarHBondContact O-N 3.4Å; L899-T901 VanDerWaalsContact C-N 3.32Å; L899-T901 PolarHBondContact O-N 3.35Å
900V46.8Very low47.5Very low137 Ų137108 Ų10883%0.8365%0.647SS**  trans-75.283.7179.4-1770000109.1T898T898-V900 PolarHBondContact O-N 3.23Å
901T44.2Very low46.1Very low95 Ų95109.8 Ų109.858%0.58365%0.649SS**  trans-133.30.617144.40000113.9L899L899-T901 VanDerWaalsContact C-N 3.32Å; L899-T901 PolarHBondContact O-N 3.35Å
902D34.2Very low44.5Very low148 Ų148114.1 Ų114.179%0.79168%0.677SS**  trans-86.9124.6176-72.6-25.2000111.4
903P33.5Very low43.2Very low104 Ų104120.2 Ų120.268%0.67570%0.698SS**  trans-69.6150.9178.627.2-32.3000111.8G905P903-G905 PolarHBondContact O-N 2.94Å
904P37.3Very low41.8Very low142 Ų142123 Ų12392%0.92272%0.715SS**THydrogen-bonded Turntrans-75.195.3-177.530.8-31.6000109.7
905G40.8Very low40.4Very low71 Ų71121.9 Ų121.973%0.73272%0.716SS**THydrogen-bonded Turntrans176-11.1178.700000117.5P903 K907P903-G905 PolarHBondContact O-N 2.94Å; G905-K907 PolarHBondContact O-N 3.02Å
906S30.5Very low39.4Very low118 Ų118122 Ų12283%0.82572%0.716SS**  trans-83.9105.2172.2179.90000109.8T908S906-T908 PolarHBondContact O-N 2.85Å
907K31.7Very low38.6Very low188 Ų188122 Ų12282%0.81772%0.719SS**  trans-66.5122.3173.3-77.5-178.9177.1176.90109.9G905G905-K907 PolarHBondContact O-N 3.02Å
908T34.3Very low37.8Very low128 Ų128126.1 Ų126.179%0.78573%0.727SS**  trans-4.3113.5149.452.10000116.4S906S906-T908 PolarHBondContact O-N 2.85Å
909V33.3Very low37.1Very low150 Ų150125.6 Ų125.691%0.90972%0.72SS**  trans-80122.4148178.60000106.6
910G30.5Very low36.7Very low58 Ų58129.7 Ų129.760%0.59874%0.742SS**  trans-68149.6-16500000115.5
911S39.1Very low36.3Very low105 Ų105129.8 Ų129.873%0.73474%0.736SS**  trans48.590.8134.1175.80000117.5
912L36.3Very low36.2Very low158 Ų158131.1 Ų131.183%0.82774%0.739SS**SBendtrans-139.512.1147.8-104.4154.3000114
913E37.6Very low36.3Very low155 Ų155132.4 Ų132.472%0.72474%0.74SS**SBendtrans-1077.1-178.7-93.5-174.6171.200115.8
914V36.8Very low36.8Very low97 Ų97133 Ų13359%0.58874%0.742SS**SBendtrans-92.8-11.8178.6-177.30000113.7
915N33.7Very low36.6Very low135 Ų135135.6 Ų135.672%0.72274%0.738SS**SBendtrans-106.3-6.1-178.4-76.8-18.3000115.9
916L38.8Very low36.1Very low131 Ų131143.4 Ų143.469%0.68675%0.746SS**SBendtrans-99.5-18.3179.3-89151.7000114.4
917Q37.6Very low35.9Very low159 Ų159145.7 Ų145.774%0.74375%0.749SS**THydrogen-bonded Turntrans-89.6-8.6176.1-96.5178.8-14.600114.4
918R37Very low36.1Very low180 Ų180146.4 Ų146.468%0.67978%0.775SS**THydrogen-bonded Turntrans-90.8-29175.8-101.3179.5173.5145.6-1.3113.9
919D35.4Very low36.2Very low117 Ų117147.4 Ų147.463%0.62678%0.775SS**THydrogen-bonded Turntrans-84.9-16.9-176.3-75.4-14.8000114.4
920L41.2Very low36.4Very low148 Ų148147.2 Ų147.278%0.77577%0.768SS**THydrogen-bonded Turntrans-90.4-7175.9-79.3162.9000114.4
921L38.9Very low36.7Very low138 Ų138152.2 Ų152.272%0.72378%0.777SS**SBendtrans-105.21.9178.9-83.8162.8000114
922I40.7Very low36.5Very low123 Ų123154.9 Ų154.963%0.63178%0.78SS**SBendtrans-107.4-11-178.3-63.8177.2000113.2
923H36.4Very low36.6Very low176 Ų176154.8 Ų154.882%0.81578%0.777SS**SBendtrans-978.5178.2-80.7-61.9000116.7
924T44.7Very low36.5Very low116 Ų116154.7 Ų154.771%0.71278%0.78SS**SBendtrans-109.670.6165.548.40000111
925K32.6Very low36.5Very low196 Ų196158.9 Ų158.985%0.85279%0.794SS**SBendtrans-169.4122150.9-109166.5-173.4178.80111
926R30.3Very low36.7Very low236 Ų236160.7 Ų160.789%0.89180%0.799SS**  trans79.696.9169.4-63.6178168.6167.2-4.2116.6
927N27.8Very low36.5Very low166 Ų166163.2 Ų163.289%0.88881%0.809SS**  -152.9148.298.1-90.7-19.6000110.7
928C35.4Very low36.4Very low203 Ų203163.5 Ų163.5100%1.37282%0.815SS**  trans-55.80173.6-66.10000113.5

Retrieved 928 of 928 residues in 1531 ms (Link to these results)

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