X5M903_CAEEL Loading...

Solute carrier organic anion transporter family member

AlphaFold DB , UniProt , Accession X5M903, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 632 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
1M33.1Very low53.9Low247 Ų24795.5 Ų95.5100%1.21754%0.54SS*.  095.60-80.7167.8167.300106.9
2G30.8Very low55.1Low73 Ų7397.2 Ų97.275%0.75356%0.562SS**  trans-73.1141.9177.500000110.4A4G2-A4 PolarHBondContact O-N 2.96Å
3E35.8Very low56.4Low196 Ų196107.7 Ų107.792%0.91659%0.587SS**  trans-45.8109.5171.3-72.7172.2136.300109.6D5E3-D5 PolarHBondContact O-N 2.92Å
4A40.5Very low57.7Low67 Ų67108.6 Ų108.655%0.55458%0.583SS**  trans-77.1108.6176.500000107.8G2 E6G2-A4 PolarHBondContact O-N 2.96Å; A4-E6 PolarHBondContact O-N 3Å
5D42.8Very low59.2Low149 Ų149109.9 Ų109.980%0.79758%0.576SS**  trans-35.197.8176.3-78.5-42.2000113.4E3 T7E3-D5 PolarHBondContact O-N 2.92Å; D5-T7 HydrophobicContact CB-CG2 4.43Å; D5-T7 PolarHBondContact O-N 3.5Å
6E54.1Low60.5Low134 Ų134104.6 Ų104.663%0.62655%0.55SS**  trans-71.485.1163.9-72.6-168.6173.900107.9A4 P8A4-E6 PolarHBondContact O-N 3Å; E6-P8 WeakPolarHBondContact O-CD 3.49Å
7T61.3Low61.4Low57 Ų57110.1 Ų110.135%0.3557%0.569SS.*PPolyproline II helixtrans-65.3125.6176.252.70000109.3D5 P262D5-T7 HydrophobicContact CB-CG2 4.43Å; D5-T7 PolarHBondContact O-N 3.5Å; T7-P262 WeakPolarHBondContact O-CB 3.25Å; T7-P262 WeakPolarHBondContact OG1-CB 3.49Å
8P71.1Confident62.3Low42 Ų42107.9 Ų107.927%0.27358%0.578SS.*PPolyproline II helixtrans-70.5156.817628.7-35.7000111.4E6 G10 R15E6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-G10 PolarHBondContact O-N 3.19Å; P8-R15 HydrophobicContact CG-CG 4.13Å
9F76.9Confident63.3Low3 Ų3106.5 Ų106.51%0.01357%0.57CS.*SBendtrans-60.4129.5176.3-178.5-91.4000110.5L19 Q20 L22 M260 F261F9-L19 HydrophobicContact CD1-CB 4.24Å; F9-L19 HydrophobicContact CE1-CB 4.29Å; F9-Q20 PolarHBondContact O-NE2 2.88Å; F9-L22 HydrophobicContact CD2-CB 4.18Å; F9-L22 HydrophobicContact CE1-CB 4.4Å; F9-L22 HydrophobicContact CE1-CD1 4Å; F9-L22 HydrophobicContact CE2-CB 3.99Å; F9-L22 HydrophobicContact CG-CB 4.48Å; F9-L22 HydrophobicContact CZ-CB 4.1Å; F9-L22 HydrophobicContact CZ-CD1 3.87Å; F9-M260 HydrophobicContact CD1-CB 4.34Å; F9-M260 HydrophobicContact CD2-CB 4.19Å; F9-M260 HydrophobicContact CE1-CB 3.84Å; F9-M260 HydrophobicContact CE1-CG 4.47Å; F9-M260 HydrophobicContact CE1-SD 3.74Å; F9-M260 HydrophobicContact CE2-CB 3.67Å; F9-M260 HydrophobicContact CG-CB 4.5Å; F9-M260 HydrophobicContact CZ-CB 3.47Å; F9-M260 VanDerWaalsContact CZ-CB 3.47Å; F9-M260 HydrophobicContact CZ-CG 4.33Å; F9-M260 HydrophobicContact CZ-SD 3.94Å; F9-F261 HydrophobicContact CD2-CD1 4.32Å; F9-F261 HydrophobicContact CD2-CD2 4.48Å; F9-F261 HydrophobicContact CD2-CG 4.28Å; F9-F261 HydrophobicContact CE2-CD1 4.37Å; F9-F261 AromaticContact CE2-CD2 3.82Å; F9-F261 HydrophobicContact CE2-CD2 3.82Å; F9-F261 HydrophobicContact CE2-CE1 4.48Å; F9-F261 AromaticContact CE2-CE2 3.92Å; F9-F261 HydrophobicContact CE2-CE2 3.92Å; F9-F261 HydrophobicContact CE2-CG 4.07Å; F9-F261 HydrophobicContact CE2-CZ 4.25Å
10G75.8Confident64.2Low13 Ų13103.7 Ų103.713%0.13455%0.553CS.*SBendtrans136.5178.4178.600000114.5P8 F14 M260P8-G10 PolarHBondContact O-N 3.19Å; G10-F14 CarbonylContact C-O 3.53Å; G10-F14 VanDerWaalsContact CA-O 3.25Å; G10-F14 WeakPolarHBondContact CA-O 3.38Å; G10-M260 PolarHBondContact N-O 2.74Å
11F71.3Confident65Low70 Ų70107.7 Ų107.731%0.30756%0.56SS.*BIsolated β-bridgetrans-81.3162.4171.6-76.9-78000110.6W13 F14 F256 I259 M260F11-W13 VanDerWaalsContact CB-CD1 3.46Å; F11-W13 PolarHBondContact O-N 3.31Å; F11-F14 PolarHBondContact N-O 2.95Å; F11-F14 CarbonylContact O-C 3.49Å; F11-F14 PolarHBondContact O-N 3.23Å; F11-F256 AromaticContact CE2-CE2 3.99Å; F11-F256 HydrophobicContact CE2-CE2 3.99Å; F11-F256 HydrophobicContact CE2-CZ 4.07Å; F11-F256 HydrophobicContact CZ-CE2 4.42Å; F11-I259 HydrophobicContact CE1-CG2 3.73Å; F11-I259 HydrophobicContact CZ-CB 4.48Å; F11-I259 HydrophobicContact CZ-CG2 3.84Å; F11-M260 HydrophobicContact CD2-CE 3.67Å; F11-M260 HydrophobicContact CD2-CG 4.11Å; F11-M260 HydrophobicContact CE2-CE 3.57Å; F11-M260 HydrophobicContact CE2-CG 3.89Å
12S67.9Low67.3Low115 Ų11597.6 Ų97.680%0.80451%0.511SS*.THydrogen-bonded Turntrans-49.9-36.9-177.6-166.50000113.3
13W72.2Confident69.8Low234 Ų23494.3 Ų94.389%0.88648%0.477SS*.THydrogen-bonded Turntrans-96.9-10.917858.8-8.7000116.3F11F11-W13 VanDerWaalsContact CB-CD1 3.46Å; F11-W13 PolarHBondContact O-N 3.31Å
14F74.8Confident72.3Confident120 Ų12087.6 Ų87.653%0.52645%0.447SS..BIsolated β-bridgetrans-136.7101.3-172.2-173.4-106.3000110.8G10 F11 P16G10-F14 CarbonylContact C-O 3.53Å; G10-F14 VanDerWaalsContact CA-O 3.25Å; G10-F14 WeakPolarHBondContact CA-O 3.38Å; F11-F14 PolarHBondContact N-O 2.95Å; F11-F14 CarbonylContact O-C 3.49Å; F11-F14 PolarHBondContact O-N 3.23Å; F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.4Å; F14-P16 HydrophobicContact CE1-CG 3.83Å; F14-P16 HydrophobicContact CZ-CB 4.44Å; F14-P16 HydrophobicContact CZ-CG 4.36Å; F14-P16 WeakPolarHBondContact O-CD 3.33Å
15R79.9Confident74.5Confident128 Ų12884.7 Ų84.748%0.48342%0.422SS..  trans-125.479.3-175.2-68.5168.5174.1-167.33.8110.5P8 K17P8-R15 HydrophobicContact CG-CG 4.13Å; R15-K17 PolarHBondContact O-N 3.43Å
16P79.9Confident76.7Confident26 Ų2682.9 Ų82.917%0.16941%0.411CS..  trans-64.4127.2-178.621.7-30.2000111.4F14 L19 Q20F14-P16 HydrophobicContact CD1-CG 4.3Å; F14-P16 HydrophobicContact CE1-CB 4.4Å; F14-P16 HydrophobicContact CE1-CG 3.83Å; F14-P16 HydrophobicContact CZ-CB 4.44Å; F14-P16 HydrophobicContact CZ-CG 4.36Å; F14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-L19 HydrophobicContact CB-CB 4.28Å; P16-L19 HydrophobicContact CB-CD1 3.93Å; P16-L19 HydrophobicContact CB-CG 4.5Å; P16-L19 HydrophobicContact CG-CB 3.95Å; P16-L19 HydrophobicContact CG-CD1 3.59Å; P16-L19 HydrophobicContact CG-CG 4.34Å; P16-L19 PolarHBondContact O-N 2.99Å; P16-Q20 PolarHBondContact O-NE2 3.45Å
17K75.8Confident78.5Confident198 Ų19877.7 Ų77.786%0.86139%0.389SS*.SBendtrans-66.7-35.9-179.6-68.5-176.3179.7178.80112.8R15 L19 Q20R15-K17 PolarHBondContact O-N 3.43Å; K17-L19 PolarHBondContact O-N 2.92Å; K17-Q20 WeakPolarHBondContact O-CG 3.38Å
18G78Confident79.9Confident71 Ų7175 Ų7573%0.73237%0.372SS*.THydrogen-bonded Turntrans-71-24.2-179.900000114.9
19L80.6Confident80.9Confident81 Ų8173.8 Ų73.842%0.42436%0.363SS..THydrogen-bonded Turntrans-93.63.3-178.6-74.8158.1000113F9 P16 K17 W21 L22F9-L19 HydrophobicContact CD1-CB 4.24Å; F9-L19 HydrophobicContact CE1-CB 4.29Å; P16-L19 HydrophobicContact CB-CB 4.28Å; P16-L19 HydrophobicContact CB-CD1 3.93Å; P16-L19 HydrophobicContact CB-CG 4.5Å; P16-L19 HydrophobicContact CG-CB 3.95Å; P16-L19 HydrophobicContact CG-CD1 3.59Å; P16-L19 HydrophobicContact CG-CG 4.34Å; P16-L19 PolarHBondContact O-N 2.99Å; K17-L19 PolarHBondContact O-N 2.92Å; L19-W21 PolarHBondContact O-N 3.47Å; L19-L22 HydrophobicContact CB-CD1 4.34Å; L19-L22 HydrophobicContact CD2-CD1 3.5Å; L19-L22 VanDerWaalsContact CD2-CD1 3.5Å; L19-L22 HydrophobicContact CD2-CG 4.37Å; L19-L22 VanDerWaalsContact O-CB 3.32Å; L19-L22 WeakPolarHBondContact O-CB 3.49Å; L19-L22 PolarHBondContact O-N 3.35Å
20Q80.8Confident81.7Confident49 Ų4977 Ų7723%0.22939%0.386CS..G310 helixtrans-65-19-179.3-66.1-57.4-39.500113.4F9 P16 K17 L22 S23F9-Q20 PolarHBondContact O-NE2 2.88Å; P16-Q20 PolarHBondContact O-NE2 3.45Å; K17-Q20 WeakPolarHBondContact O-CG 3.38Å; Q20-L22 PolarHBondContact O-N 3.47Å; Q20-S23 VanDerWaalsContact O-CB 3.26Å; Q20-S23 WeakPolarHBondContact O-CB 3.46Å; Q20-S23 PolarHBondContact O-N 3.41Å
21W81.1Confident82.6Confident188 Ų18877.9 Ų77.971%0.71239%0.388SS*.G310 helixtrans-58.9-30.8171.497.838000111.3L19 S23 N24L19-W21 PolarHBondContact O-N 3.47Å; W21-S23 PolarHBondContact O-N 2.95Å; W21-N24 WeakPolarHBondContact O-CB 3.43Å; W21-N24 PolarHBondContact O-N 2.8Å; W21-N24 PolarHBondContact O-ND2 3.09Å
22L82.4Confident83.7Confident36 Ų3674.6 Ų74.619%0.18837%0.373CS..G310 helixtrans-64-22.4-175.6-70.5174.7000110.9F9 L19 Q20 N24 P27 F261F9-L22 HydrophobicContact CD2-CB 4.18Å; F9-L22 HydrophobicContact CE1-CB 4.4Å; F9-L22 HydrophobicContact CE1-CD1 4Å; F9-L22 HydrophobicContact CE2-CB 3.99Å; F9-L22 HydrophobicContact CG-CB 4.48Å; F9-L22 HydrophobicContact CZ-CB 4.1Å; F9-L22 HydrophobicContact CZ-CD1 3.87Å; L19-L22 HydrophobicContact CB-CD1 4.34Å; L19-L22 HydrophobicContact CD2-CD1 3.5Å; L19-L22 VanDerWaalsContact CD2-CD1 3.5Å; L19-L22 HydrophobicContact CD2-CG 4.37Å; L19-L22 VanDerWaalsContact O-CB 3.32Å; L19-L22 WeakPolarHBondContact O-CB 3.49Å; L19-L22 PolarHBondContact O-N 3.35Å; Q20-L22 PolarHBondContact O-N 3.47Å; L22-N24 PolarHBondContact O-N 3.44Å; L22-P27 HydrophobicContact CD2-CB 3.87Å; L22-P27 HydrophobicContact CD2-CG 4.43Å; L22-F261 WeakPolarHBondContact O-CE1 3.47Å; L22-F261 VanDerWaalsContact O-CZ 3.23Å; L22-F261 WeakPolarHBondContact O-CZ 3.45Å
23S83.1Confident84.9Confident4 Ų469.9 Ų69.93%0.02834%0.34CS..G310 helixtrans-66.93.5175.2-1570000115.1Q20 W21 P262 L265 K266Q20-S23 VanDerWaalsContact O-CB 3.26Å; Q20-S23 WeakPolarHBondContact O-CB 3.46Å; Q20-S23 PolarHBondContact O-N 3.41Å; W21-S23 PolarHBondContact O-N 2.95Å; S23-P262 VanDerWaalsContact OG-CG 3.3Å; S23-P262 WeakPolarHBondContact OG-CG 3.42Å; S23-L265 VanDerWaalsContact O-CB 3.32Å; S23-L265 WeakPolarHBondContact O-CB 3.34Å; S23-K266 PolarHBondContact O-N 2.79Å; S23-K266 VanDerWaalsContact O-N 3.12Å
24N87.3Confident86Confident54 Ų5460.2 Ų60.229%0.28931%0.31SS..SBendtrans-87.9160.6175.1-66.2-42.5000111.7W21 L22 I26 P27 F28 D267W21-N24 WeakPolarHBondContact O-CB 3.43Å; W21-N24 PolarHBondContact O-N 2.8Å; W21-N24 PolarHBondContact O-ND2 3.09Å; L22-N24 PolarHBondContact O-N 3.44Å; N24-I26 PolarHBondContact O-N 3.2Å; N24-P27 HydrophobicContact CB-CG 4.49Å; N24-P27 WeakPolarHBondContact O-CD 3.46Å; N24-F28 PolarHBondContact O-N 2.8Å; N24-D267 WeakPolarHBondContact CA-OD1 3.06Å
25F87.6Confident87Confident6 Ų654.5 Ų54.53%0.02629%0.285CS..Hα-helixtrans-60.6-39.1-179.7-179.1-91000115.1F28 M29 L178 F181 D182 N190 L265 D267F25-F28 WeakPolarHBondContact O-CB 3.17Å; F25-F28 PolarHBondContact O-N 2.97Å; F25-M29 HydrophobicContact CD1-CB 4.44Å; F25-M29 HydrophobicContact CE1-CB 4.06Å; F25-M29 HydrophobicContact CE1-CG 4.38Å; F25-M29 HydrophobicContact CZ-CB 4.33Å; F25-M29 VanDerWaalsContact O-CB 3.29Å; F25-M29 WeakPolarHBondContact O-CB 3.28Å; F25-M29 PolarHBondContact O-N 2.94Å; F25-L178 HydrophobicContact CE2-CD2 4.04Å; F25-L178 HydrophobicContact CZ-CD2 3.93Å; F25-F181 HydrophobicContact CD2-CB 3.73Å; F25-F181 HydrophobicContact CE2-CB 3.99Å; F25-D182 HydrophobicContact CD2-CB 4.23Å; F25-D182 HydrophobicContact CE1-CB 4.27Å; F25-D182 HydrophobicContact CE2-CB 3.67Å; F25-D182 HydrophobicContact CZ-CB 3.69Å; F25-N190 VanDerWaalsContact CE1-ND2 3.26Å; F25-N190 WeakPolarHBondContact CE1-ND2 3.43Å; F25-N190 HydrophobicContact CZ-CB 4.43Å; F25-N190 VanDerWaalsContact CZ-ND2 3.28Å; F25-N190 WeakPolarHBondContact CZ-ND2 3.27Å; F25-L265 HydrophobicContact CB-CD1 4.08Å; F25-L265 HydrophobicContact CD2-CD1 4.17Å; F25-D267 WeakPolarHBondContact CB-OD2 3.46Å; F25-D267 PolarHBondContact N-OD1 3.41Å; F25-D267 PolarHBondContact N-OD2 3.5Å
26I89.6Confident87.7Confident112 Ų11248.4 Ų48.457%0.57426%0.262SS*.Hα-helixtrans-64.9-51.9-175.4-63.4169000111.1N24 F28 M29 S30N24-I26 PolarHBondContact O-N 3.2Å; I26-F28 VanDerWaalsContact C-N 3.33Å; I26-F28 PolarHBondContact O-N 3.15Å; I26-M29 PolarHBondContact O-N 2.76Å; I26-S30 PolarHBondContact O-N 3.23Å; I26-S30 PolarHBondContact O-OG 3.12Å
27P91.3Very high88.5Confident25 Ų2550 Ų5016%0.16227%0.268CS..Hα-helixtrans-57-43.1172.8-2532.3000113.7L22 N24 M29 S30 I31L22-P27 HydrophobicContact CD2-CB 3.87Å; L22-P27 HydrophobicContact CD2-CG 4.43Å; N24-P27 HydrophobicContact CB-CG 4.49Å; N24-P27 WeakPolarHBondContact O-CD 3.46Å; P27-M29 PolarHBondContact O-N 3.38Å; P27-S30 PolarHBondContact O-N 3.37Å; P27-I31 VanDerWaalsContact O-CG1 3.3Å; P27-I31 WeakPolarHBondContact O-CG1 3.25Å; P27-I31 PolarHBondContact O-N 2.98Å
28F91.6Very high89.4Confident0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-55.6-51.4175.8172.8-103.6000111.5N24 F25 I26 S30 I31 L32 V93 C177 L178 F181 L258 F261 L265N24-F28 PolarHBondContact O-N 2.8Å; F25-F28 WeakPolarHBondContact O-CB 3.17Å; F25-F28 PolarHBondContact O-N 2.97Å; I26-F28 VanDerWaalsContact C-N 3.33Å; I26-F28 PolarHBondContact O-N 3.15Å; F28-S30 VanDerWaalsContact C-N 3.35Å; F28-S30 PolarHBondContact O-N 2.95Å; F28-I31 PolarHBondContact O-N 3.12Å; F28-L32 HydrophobicContact CE1-CD2 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.01Å; F28-L32 VanDerWaalsContact O-CB 3.28Å; F28-L32 WeakPolarHBondContact O-CB 3.32Å; F28-L32 PolarHBondContact O-N 3.21Å; F28-V93 HydrophobicContact CE2-CG1 3.81Å; F28-V93 HydrophobicContact CE2-CG2 4.08Å; F28-V93 HydrophobicContact CZ-CG2 4.33Å; F28-C177 HydrophobicContact CE1-CB 4.21Å; F28-C177 HydrophobicContact CZ-CB 3.91Å; F28-L178 HydrophobicContact CE1-CD2 4.18Å; F28-F181 AromaticContact CD1-CD2 3.99Å; F28-F181 HydrophobicContact CD1-CD2 3.99Å; F28-F181 HydrophobicContact CD1-CE2 4.44Å; F28-F181 AromaticContact CE1-CD2 3.65Å; F28-F181 HydrophobicContact CE1-CD2 3.65Å; F28-F181 AromaticContact CE1-CE2 3.92Å; F28-F181 HydrophobicContact CE1-CE2 3.92Å; F28-F181 HydrophobicContact CE2-CE2 4.26Å; F28-F181 HydrophobicContact CZ-CD2 4.05Å; F28-F181 AromaticContact CZ-CE2 3.81Å; F28-F181 HydrophobicContact CZ-CE2 3.81Å; F28-L258 HydrophobicContact CD2-CD2 4.44Å; F28-L258 HydrophobicContact CE2-CD2 4.27Å; F28-F261 HydrophobicContact CB-CD1 4.22Å; F28-F261 HydrophobicContact CB-CE1 3.55Å; F28-F261 HydrophobicContact CB-CZ 3.9Å; F28-F261 AromaticContact CD2-CD1 3.96Å; F28-F261 HydrophobicContact CD2-CD1 3.96Å; F28-F261 HydrophobicContact CD2-CD2 4.39Å; F28-F261 HydrophobicContact CD2-CE1 4.02Å; F28-F261 HydrophobicContact CD2-CE2 4.49Å; F28-F261 HydrophobicContact CD2-CG 4.14Å; F28-F261 HydrophobicContact CD2-CZ 4.32Å; F28-F261 HydrophobicContact CG-CE1 4.27Å; F28-L265 HydrophobicContact CB-CD1 3.88Å; F28-L265 HydrophobicContact CB-CD2 4.38Å; F28-L265 HydrophobicContact CD1-CD1 4.09Å; F28-L265 HydrophobicContact CG-CD1 4Å
29M91.6Very high90.2Very high17 Ų1738.2 Ų38.28%0.08420%0.198CC..Hα-helixtrans-60.6-42.9-179.6177.658.3-178.300112.1F25 I26 P27 L32 S33 L178 N190 L193F25-M29 HydrophobicContact CD1-CB 4.44Å; F25-M29 HydrophobicContact CE1-CB 4.06Å; F25-M29 HydrophobicContact CE1-CG 4.38Å; F25-M29 HydrophobicContact CZ-CB 4.33Å; F25-M29 VanDerWaalsContact O-CB 3.29Å; F25-M29 WeakPolarHBondContact O-CB 3.28Å; F25-M29 PolarHBondContact O-N 2.94Å; I26-M29 PolarHBondContact O-N 2.76Å; P27-M29 PolarHBondContact O-N 3.38Å; M29-L32 PolarHBondContact O-N 3.3Å; M29-S33 WeakPolarHBondContact CE-OG 3.38Å; M29-S33 VanDerWaalsContact O-CB 3.28Å; M29-S33 WeakPolarHBondContact O-CB 3.4Å; M29-S33 PolarHBondContact O-N 3.23Å; M29-S33 PolarHBondContact O-OG 3.11Å; M29-L178 HydrophobicContact CE-CD1 4.33Å; M29-L178 HydrophobicContact SD-CD1 3.94Å; M29-L178 HydrophobicContact SD-CD2 3.26Å; M29-L178 WeakPolarHBondContact SD-CD2 3.42Å; M29-L178 HydrophobicContact SD-CG 4.25Å; M29-N190 HydrophobicContact CE-CB 4.12Å; M29-N190 WeakPolarHBondContact CE-O 3.41Å; M29-L193 HydrophobicContact CE-CB 4.13Å
30S92.8Very high90.9Very high71 Ų7134.4 Ų34.450%0.49718%0.177SC..Hα-helixtrans-62.6-45.9177.7-63.50000111.8I26 P27 F28 S33 A34I26-S30 PolarHBondContact O-N 3.23Å; I26-S30 PolarHBondContact O-OG 3.12Å; P27-S30 PolarHBondContact O-N 3.37Å; F28-S30 VanDerWaalsContact C-N 3.35Å; F28-S30 PolarHBondContact O-N 2.95Å; S30-S33 PolarHBondContact O-N 3.36Å; S30-A34 WeakPolarHBondContact O-CB 3.46Å; S30-A34 PolarHBondContact O-N 2.92Å
31I94.4Very high91.6Very high31 Ų3132.4 Ų32.416%0.15917%0.17CC..Hα-helixtrans-67.4-42.3179.1-65.6165000110.5P27 F28 S33 A34 N35 T254 P257 L258 F261P27-I31 VanDerWaalsContact O-CG1 3.3Å; P27-I31 WeakPolarHBondContact O-CG1 3.25Å; P27-I31 PolarHBondContact O-N 2.98Å; F28-I31 PolarHBondContact O-N 3.12Å; I31-S33 VanDerWaalsContact C-N 3.34Å; I31-S33 PolarHBondContact O-N 3.43Å; I31-A34 PolarHBondContact O-N 3.25Å; I31-N35 PolarHBondContact O-N 3.5Å; I31-N35 PolarHBondContact O-ND2 3.45Å; I31-T254 WeakPolarHBondContact CG2-O 3.47Å; I31-P257 HydrophobicContact CD1-CB 3.92Å; I31-P257 HydrophobicContact CG2-CB 4.5Å; I31-L258 HydrophobicContact CB-CD2 4.41Å; I31-L258 HydrophobicContact CG2-CD1 4.32Å; I31-L258 HydrophobicContact CG2-CD2 3.7Å; I31-L258 HydrophobicContact CG2-CG 3.67Å; I31-F261 HydrophobicContact CD1-CE2 3.77Å; I31-F261 HydrophobicContact CD1-CZ 3.99Å
32L94.3Very high92.3Very high0 Ų023.5 Ų23.50%014%0.136CC..Hα-helixtrans-61-43.8176.7-175.467.1000111.4F28 M29 N35 A36 I96 L170 L178 Y194F28-L32 HydrophobicContact CE1-CD2 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.01Å; F28-L32 VanDerWaalsContact O-CB 3.28Å; F28-L32 WeakPolarHBondContact O-CB 3.32Å; F28-L32 PolarHBondContact O-N 3.21Å; M29-L32 PolarHBondContact O-N 3.3Å; L32-N35 PolarHBondContact O-N 2.86Å; L32-A36 PolarHBondContact O-N 3.22Å; L32-I96 HydrophobicContact CD1-CD1 4.25Å; L32-I96 HydrophobicContact CD1-CG2 3.94Å; L32-L170 HydrophobicContact CD1-CD1 3.75Å; L32-L178 HydrophobicContact CD2-CD1 4.1Å; L32-L178 HydrophobicContact CD2-CD2 3.93Å; L32-L178 HydrophobicContact CD2-CG 3.87Å; L32-Y194 HydrophobicContact CD1-CE2 4.45Å; L32-Y194 HydrophobicContact CD2-CD2 4.3Å; L32-Y194 HydrophobicContact CD2-CE2 4.17Å; L32-Y194 HydrophobicContact CG-CD2 4.15Å; L32-Y194 HydrophobicContact CG-CE2 3.79Å
33S94.4Very high92.8Very high17 Ų1722.5 Ų22.512%0.11913%0.131CC..Hα-helixtrans-67.7-37.8178.3-57.40000112.3M29 S30 I31 N35 A36 M37M29-S33 WeakPolarHBondContact CE-OG 3.38Å; M29-S33 VanDerWaalsContact O-CB 3.28Å; M29-S33 WeakPolarHBondContact O-CB 3.4Å; M29-S33 PolarHBondContact O-N 3.23Å; M29-S33 PolarHBondContact O-OG 3.11Å; S30-S33 PolarHBondContact O-N 3.36Å; I31-S33 VanDerWaalsContact C-N 3.34Å; I31-S33 PolarHBondContact O-N 3.43Å; S33-N35 VanDerWaalsContact C-N 3.34Å; S33-A36 PolarHBondContact O-N 3.25Å; S33-M37 WeakPolarHBondContact O-CB 3.43Å; S33-M37 PolarHBondContact O-N 3.04Å
34A95.1Very high93.1Very high31 Ų3125 Ų2526%0.25614%0.144SC..Hα-helixtrans-61.9-41.7173.800000111.8S30 I31 M37 L38S30-A34 WeakPolarHBondContact O-CB 3.46Å; S30-A34 PolarHBondContact O-N 2.92Å; I31-A34 PolarHBondContact O-N 3.25Å; A34-M37 WeakPolarHBondContact O-CB 3.21Å; A34-M37 PolarHBondContact O-N 3.42Å; A34-L38 WeakPolarHBondContact O-CG 3.49Å; A34-L38 PolarHBondContact O-N 3.37Å
35N95.4Very high93.4Very high0 Ų022.4 Ų22.40%013%0.131CC..Hα-helixtrans-66-38.3175.1-78.7-80.6000112.2I31 L32 S33 L38 Q39 M100 L170 T254 L258I31-N35 PolarHBondContact O-N 3.5Å; I31-N35 PolarHBondContact O-ND2 3.45Å; L32-N35 PolarHBondContact O-N 2.86Å; S33-N35 VanDerWaalsContact C-N 3.34Å; N35-L38 PolarHBondContact O-N 2.98Å; N35-Q39 WeakPolarHBondContact O-CB 3.48Å; N35-Q39 PolarHBondContact O-N 3.06Å; N35-M100 HydrophobicContact CB-CE 3.86Å; N35-M100 HydrophobicContact CB-CG 3.99Å; N35-M100 HydrophobicContact CB-SD 4.18Å; N35-L170 HydrophobicContact CB-CD1 4.16Å; N35-T254 PolarHBondContact ND2-O 3.07Å; N35-T254 PolarHBondContact OD1-OG1 2.68Å; N35-L258 HydrophobicContact CB-CD1 4.44Å; N35-L258 VanDerWaalsContact ND2-CD1 3.34Å; N35-L258 WeakPolarHBondContact ND2-CD1 2.99Å
36A95.2Very high93.8Very high0 Ų022.2 Ų22.20%013%0.13CC..Hα-helixtrans-66-36.9174.400000113L32 S33 G40 L170 Y194 S198L32-A36 PolarHBondContact O-N 3.22Å; S33-A36 PolarHBondContact O-N 3.25Å; A36-G40 PolarHBondContact O-N 3.13Å; A36-L170 HydrophobicContact CB-CD2 4.23Å; A36-Y194 HydrophobicContact CB-CD2 4.09Å; A36-Y194 HydrophobicContact CB-CE2 3.41Å; A36-Y194 VanDerWaalsContact CB-CE2 3.41Å; A36-S198 PolarHBondContact O-OG 3.02Å
37M95.4Very high94Very high59 Ų5917.1 Ų17.129%0.29110%0.104SC..Hα-helixtrans-63.7-45.7172.1-174.2-178.869.200111.4S33 A34 G40 A41 A197 V200 G201 L204S33-M37 WeakPolarHBondContact O-CB 3.43Å; S33-M37 PolarHBondContact O-N 3.04Å; A34-M37 WeakPolarHBondContact O-CB 3.21Å; A34-M37 PolarHBondContact O-N 3.42Å; M37-G40 PolarHBondContact O-N 3.25Å; M37-A41 WeakPolarHBondContact O-CB 3.45Å; M37-A41 PolarHBondContact O-N 3.23Å; M37-A197 WeakPolarHBondContact CA-O 3.18Å; M37-A197 VanDerWaalsContact CB-O 3.3Å; M37-A197 WeakPolarHBondContact CB-O 3.29Å; M37-A197 WeakPolarHBondContact CG-O 3.49Å; M37-V200 HydrophobicContact SD-CG1 4.33Å; M37-G201 VanDerWaalsContact O-CA 3.28Å; M37-G201 WeakPolarHBondContact O-CA 3.36Å; M37-L204 HydrophobicContact SD-CD1 3.91Å
38L95.4Very high94.1Very high17 Ų1716.2 Ų16.29%0.08910%0.098CC..Hα-helixtrans-63-44.1177.7-74163.6000112.3A34 N35 G40 A41 I42 V250 A251 T254A34-L38 WeakPolarHBondContact O-CG 3.49Å; A34-L38 PolarHBondContact O-N 3.37Å; N35-L38 PolarHBondContact O-N 2.98Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.34Å; L38-A41 WeakPolarHBondContact O-CB 3.34Å; L38-A41 PolarHBondContact O-N 2.96Å; L38-I42 WeakPolarHBondContact O-CD1 3.44Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.41Å; L38-V250 HydrophobicContact CD1-CB 4.44Å; L38-V250 HydrophobicContact CD1-CG1 3.75Å; L38-V250 HydrophobicContact CD2-CB 4.14Å; L38-V250 HydrophobicContact CD2-CG1 3.85Å; L38-V250 HydrophobicContact CG-CG1 4.42Å; L38-A251 HydrophobicContact CD1-CB 4.37Å; L38-T254 HydrophobicContact CD1-CG2 4.13Å; L38-T254 WeakPolarHBondContact CD1-OG1 3.49Å
39Q95.6Very high94.2Very high5 Ų516.2 Ų16.22%0.02310%0.098CC..Hα-helixtrans-60.2-45.6175.2-179-74.9-32.700110.9N35 A41 I42 V43 Y72 M100 A167 L170 F171N35-Q39 WeakPolarHBondContact O-CB 3.48Å; N35-Q39 PolarHBondContact O-N 3.06Å; Q39-A41 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.18Å; Q39-I42 PolarHBondContact O-N 3.49Å; Q39-V43 PolarHBondContact O-N 3.46Å; Q39-Y72 PolarHBondContact NE2-OH 2.89Å; Q39-M100 HydrophobicContact CB-CE 4.46Å; Q39-A167 HydrophobicContact CG-CB 3.79Å; Q39-L170 HydrophobicContact CB-CD2 3.79Å; Q39-L170 HydrophobicContact CG-CD2 4.19Å; Q39-F171 HydrophobicContact CG-CE2 4.02Å
40G93.5Very high94.3Very high0 Ų015.4 Ų15.40%09%0.094CC..Hα-helixtrans-61.8-41.8178.600000112A36 M37 L38 N44 P202A36-G40 PolarHBondContact O-N 3.13Å; M37-G40 PolarHBondContact O-N 3.25Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.34Å; G40-N44 PolarHBondContact O-N 3.43Å; G40-P202 WeakPolarHBondContact O-CG 3.4Å
41A95.4Very high94.3Very high8 Ų812.1 Ų12.17%0.0667%0.071CC..Iπ-helixtrans-58.8-49174.700000111.8M37 L38 Q39 G45 L46 G201 A205M37-A41 WeakPolarHBondContact O-CB 3.45Å; M37-A41 PolarHBondContact O-N 3.23Å; L38-A41 WeakPolarHBondContact O-CB 3.34Å; L38-A41 PolarHBondContact O-N 2.96Å; Q39-A41 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.18Å; A41-G45 CarbonylContact O-C 3.37Å; A41-G45 WeakPolarHBondContact O-CA 3.26Å; A41-G45 PolarHBondContact O-N 2.98Å; A41-L46 WeakPolarHBondContact O-CG 3.42Å; A41-L46 PolarHBondContact O-N 2.97Å; A41-G201 VanDerWaalsContact CA-C 3.49Å; A41-G201 WeakPolarHBondContact CA-O 3.33Å; A41-G201 WeakPolarHBondContact CB-O 3.38Å; A41-A205 HydrophobicContact CB-CB 4.01Å; A41-A205 WeakPolarHBondContact O-CB 3.48Å
42I96.1Very high94.1Very high1 Ų111 Ų111%0.0057%0.065CC..Iπ-helixtrans-63.8-52.3-177.8-67.1162.6000111.2L38 Q39 L46 V47 V103 V163 F244 C247L38-I42 WeakPolarHBondContact O-CD1 3.44Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.41Å; Q39-I42 PolarHBondContact O-N 3.49Å; I42-L46 HydrophobicContact CG1-CD1 4.16Å; I42-L46 WeakPolarHBondContact O-CB 3.2Å; I42-V47 WeakPolarHBondContact O-CG2 3.43Å; I42-V47 PolarHBondContact O-N 2.68Å; I42-V103 HydrophobicContact CD1-CG1 3.91Å; I42-V163 HydrophobicContact CG2-CG1 4.31Å; I42-F244 HydrophobicContact CG2-CD1 4.23Å; I42-F244 HydrophobicContact CG2-CE1 4.29Å; I42-C247 HydrophobicContact CD1-CB 4.01Å; I42-C247 HydrophobicContact CG1-CB 3.7Å
43V93.5Very high93.9Very high14 Ų1411 Ų119%0.0857%0.066CC..Iπ-helixtrans-82.6-47.1-168177.10000112.6Q39 V47 Y72 V163Q39-V43 PolarHBondContact O-N 3.46Å; V43-V47 WeakPolarHBondContact O-CB 3.48Å; V43-Y72 HydrophobicContact CG1-CD1 3.51Å; V43-Y72 HydrophobicContact CG1-CD2 4.16Å; V43-Y72 HydrophobicContact CG1-CE1 3.62Å; V43-Y72 HydrophobicContact CG1-CE2 4.26Å; V43-Y72 HydrophobicContact CG1-CG 3.8Å; V43-Y72 HydrophobicContact CG2-CD2 3.82Å; V43-Y72 HydrophobicContact CG2-CE1 4.45Å; V43-Y72 HydrophobicContact CG2-CE2 3.65Å; V43-Y72 HydrophobicContact CG2-CG 4.3Å; V43-V163 HydrophobicContact CG2-CG1 3.63Å
44N90.5Very high93.8Very high57 Ų5710.3 Ų10.331%0.3056%0.061SC..Iπ-helixtrans-97.3-11.9-172.3-63.7-33.2000112.8G40 P202 I325G40-N44 PolarHBondContact O-N 3.43Å; N44-P202 HydrophobicContact CB-CB 4.25Å; N44-P202 HydrophobicContact CB-CG 3.84Å; N44-I325 HydrophobicContact CB-CG2 4.42Å
45G93.3Very high93.5Very high0 Ų09 Ų90%05%0.049CC..Iπ-helixtrans-107.6-69.1177.700000112.6A41 V47 S48 V49A41-G45 CarbonylContact O-C 3.37Å; A41-G45 WeakPolarHBondContact O-CA 3.26Å; A41-G45 PolarHBondContact O-N 2.98Å; G45-V47 PolarHBondContact O-N 3.16Å; G45-S48 PolarHBondContact O-N 3.39Å; G45-V49 VanDerWaalsContact O-CG2 3.32Å; G45-V49 WeakPolarHBondContact O-CG2 3.37Å; G45-V49 PolarHBondContact O-N 2.89Å
46L95Very high93.1Very high2 Ų210.4 Ų10.41%0.016%0.055CC..Iπ-helixtrans-59.7-44.2-172.7-62-176.5000112.7A41 I42 S50 A205 C209 G243 F244 C247A41-L46 WeakPolarHBondContact O-CG 3.42Å; A41-L46 PolarHBondContact O-N 2.97Å; I42-L46 HydrophobicContact CG1-CD1 4.16Å; I42-L46 WeakPolarHBondContact O-CB 3.2Å; L46-S50 WeakPolarHBondContact O-CB 3.09Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.95Å; L46-A205 HydrophobicContact CD2-CB 4.03Å; L46-A205 HydrophobicContact CG-CB 4.24Å; L46-C209 HydrophobicContact CD2-CB 4.28Å; L46-C209 WeakPolarHBondContact CD2-SG 3.29Å; L46-G243 VanDerWaalsContact CD1-C 3.45Å; L46-G243 WeakPolarHBondContact CD1-O 3.44Å; L46-F244 HydrophobicContact CB-CD1 3.98Å; L46-F244 HydrophobicContact CB-CD2 4.35Å; L46-F244 HydrophobicContact CB-CE1 3.47Å; L46-F244 VanDerWaalsContact CB-CE1 3.47Å; L46-F244 HydrophobicContact CB-CE2 3.9Å; L46-F244 HydrophobicContact CB-CG 4.4Å; L46-F244 HydrophobicContact CB-CZ 3.44Å; L46-F244 VanDerWaalsContact CB-CZ 3.44Å; L46-F244 HydrophobicContact CD1-CB 4.38Å; L46-F244 HydrophobicContact CD1-CD1 3.71Å; L46-F244 HydrophobicContact CD1-CD2 4.42Å; L46-F244 HydrophobicContact CD1-CE1 4.09Å; L46-F244 HydrophobicContact CD1-CG 3.9Å; L46-F244 HydrophobicContact CG-CE1 4.43Å; L46-C247 HydrophobicContact CD1-CB 4.19Å
47V94.8Very high92.7Very high5 Ų511.3 Ų11.33%0.036%0.059CC..Hα-helixtrans-58.4-53.4177.4170.50000110.7I42 V43 G45 V49 S50 I51 F68 A69 Q160 F244I42-V47 WeakPolarHBondContact O-CG2 3.43Å; I42-V47 PolarHBondContact O-N 2.68Å; V43-V47 WeakPolarHBondContact O-CB 3.48Å; G45-V47 PolarHBondContact O-N 3.16Å; V47-V49 PolarHBondContact O-N 3.05Å; V47-S50 PolarHBondContact O-N 3.03Å; V47-I51 VanDerWaalsContact O-CG1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.83Å; V47-F68 HydrophobicContact CG1-CD1 4.2Å; V47-F68 HydrophobicContact CG1-CE1 3.79Å; V47-F68 HydrophobicContact CG2-CE1 4.42Å; V47-F68 HydrophobicContact CG2-CZ 4.47Å; V47-A69 HydrophobicContact CG1-CB 3.98Å; V47-Q160 VanDerWaalsContact CG2-NE2 3.32Å; V47-F244 HydrophobicContact CG2-CE1 4.02Å; V47-F244 HydrophobicContact CG2-CZ 4.09Å
48S93.4Very high92.2Very high5 Ų59.3 Ų9.34%0.0355%0.048CC..Hα-helixtrans-56.9-48.5-179.3173.10000112.8G45 S50 I51 I325 T326G45-S48 PolarHBondContact O-N 3.39Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.26Å; S48-I51 PolarHBondContact O-N 3.49Å; S48-I325 WeakPolarHBondContact CB-O 3.41Å; S48-I325 PolarHBondContact OG-O 3.06Å; S48-T326 PolarHBondContact OG-O 3.22Å
49V93.4Very high91.8Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-65-32-179.7171.80000112.2G45 V47 F206 C209 L213 S344G45-V49 VanDerWaalsContact O-CG2 3.32Å; G45-V49 WeakPolarHBondContact O-CG2 3.37Å; G45-V49 PolarHBondContact O-N 2.89Å; V47-V49 PolarHBondContact O-N 3.05Å; V49-F206 HydrophobicContact CG2-CD1 3.2Å; V49-F206 HydrophobicContact CG2-CE1 3.48Å; V49-F206 VanDerWaalsContact CG2-CE1 3.48Å; V49-F206 HydrophobicContact CG2-CG 4.05Å; V49-C209 HydrophobicContact CB-CB 4.49Å; V49-C209 HydrophobicContact CG1-CB 3.74Å; V49-L213 HydrophobicContact CG1-CD1 3.3Å; V49-L213 HydrophobicContact CG1-CG 4.07Å; V49-S344 WeakPolarHBondContact CG1-OG 3.46Å
50S93.5Very high91.4Very high1 Ų110.9 Ų10.91%0.0076%0.055CC..Hα-helixtrans-85.6-12.3-173.4-58.10000113.9L46 V47 S48 S52 S53 I54 F244L46-S50 WeakPolarHBondContact O-CB 3.09Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.95Å; V47-S50 PolarHBondContact O-N 3.03Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.26Å; S50-S52 PolarHBondContact O-N 3.3Å; S50-S53 PolarHBondContact O-N 3.39Å; S50-S53 VanDerWaalsContact O-N 3.09Å; S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 3.29Å; S50-F244 WeakPolarHBondContact OG-CE2 3.45Å
51I92.5Very high91.3Very high2 Ų211.8 Ų11.81%0.016%0.06CC..Hα-helixtrans-53.3-54.7-174-67.3-169000112.2V47 S48 S53 I54 E55 T326 F327 K330V47-I51 VanDerWaalsContact O-CG1 3.28Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.83Å; S48-I51 PolarHBondContact O-N 3.49Å; I51-S53 PolarHBondContact O-N 3.48Å; I51-I54 PolarHBondContact O-N 3.5Å; I51-E55 HydrophobicContact CG2-CG 4.29Å; I51-E55 WeakPolarHBondContact CG2-OE1 3.34Å; I51-E55 WeakPolarHBondContact O-CB 3.31Å; I51-E55 WeakPolarHBondContact O-CG 3.3Å; I51-E55 PolarHBondContact O-N 3.43Å; I51-T326 HydrophobicContact CD1-CG2 3.34Å; I51-T326 VanDerWaalsContact CD1-O 3.29Å; I51-T326 WeakPolarHBondContact CD1-O 3.48Å; I51-F327 HydrophobicContact CD1-CD1 4.33Å; I51-F327 HydrophobicContact CD1-CE1 4.11Å; I51-F327 HydrophobicContact CD1-CZ 4.44Å; I51-F327 HydrophobicContact CG2-CD1 4.34Å; I51-F327 HydrophobicContact CG2-CE1 4Å; I51-K330 HydrophobicContact CG2-CD 4.45Å
52S90.1Very high91.2Very high6 Ų611.4 Ų11.44%0.0426%0.057CC..Hα-helixtrans-58.8-35-178.2-58.20000112.4S50 K56 E333S50-S52 PolarHBondContact O-N 3.3Å; S52-K56 WeakPolarHBondContact O-CB 3.44Å; S52-K56 WeakPolarHBondContact O-CG 3.39Å; S52-K56 PolarHBondContact O-N 3.49Å; S52-K56 VanDerWaalsContact O-N 3.14Å; S52-E333 VanDerWaalsContact CB-OE1 3.28Å; S52-E333 WeakPolarHBondContact CB-OE1 3.39Å; S52-E333 VanDerWaalsContact OG-CD 3.31Å; S52-E333 PolarHBondContact OG-OE1 3.03Å; S52-E333 PolarHBondContact OG-OE2 2.94Å
53S91.2Very high91.1Very high1 Ų112.8 Ų12.81%0.0077%0.066CC..Hα-helixtrans-75.4-42.5179.4-65.30000112S50 I51 K56 R57S50-S53 PolarHBondContact O-N 3.39Å; S50-S53 VanDerWaalsContact O-N 3.09Å; I51-S53 PolarHBondContact O-N 3.48Å; S53-K56 PolarHBondContact O-N 3.44Å; S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 PolarHBondContact O-N 3.44Å
54I90.9Very high91.1Very high2 Ų214.4 Ų14.41%0.017%0.072CC..Hα-helixtrans-61.7-44.1175.5-69.5171.9000110.1S50 I51 K56 R57 F58 L60 F68 L156 W240S50-I54 WeakPolarHBondContact O-CG1 3.44Å; S50-I54 PolarHBondContact O-N 3.29Å; I51-I54 PolarHBondContact O-N 3.5Å; I54-K56 PolarHBondContact O-N 3.28Å; I54-R57 PolarHBondContact O-N 3.14Å; I54-F58 HydrophobicContact CB-CD2 4.49Å; I54-F58 HydrophobicContact CG2-CD2 3.82Å; I54-F58 HydrophobicContact CG2-CE2 4.32Å; I54-F58 WeakPolarHBondContact O-CD2 3.27Å; I54-F58 PolarHBondContact O-N 2.85Å; I54-L60 HydrophobicContact CG2-CD1 3.96Å; I54-F68 HydrophobicContact CD1-CE1 3.85Å; I54-F68 HydrophobicContact CD1-CZ 4.17Å; I54-L156 HydrophobicContact CG2-CD1 3.69Å; I54-W240 HydrophobicContact CD1-CE3 3.84Å; I54-W240 HydrophobicContact CD1-CZ3 3.78Å; I54-W240 HydrophobicContact CG1-CD2 3.91Å; I54-W240 HydrophobicContact CG1-CE3 3.63Å; I54-W240 HydrophobicContact CG1-CH2 4.19Å; I54-W240 HydrophobicContact CG1-CZ2 4.45Å; I54-W240 HydrophobicContact CG1-CZ3 3.75Å
55E89.4Confident91.2Very high5 Ų511.8 Ų11.82%0.0236%0.058CC..Hα-helixtrans-62.3-41.1175.6-73.3176178.900112.6I51 K59 L60 S62 S65 K330 K565I51-E55 HydrophobicContact CG2-CG 4.29Å; I51-E55 WeakPolarHBondContact CG2-OE1 3.34Å; I51-E55 WeakPolarHBondContact O-CB 3.31Å; I51-E55 WeakPolarHBondContact O-CG 3.3Å; I51-E55 PolarHBondContact O-N 3.43Å; E55-K59 WeakPolarHBondContact O-CA 3.39Å; E55-K59 PolarHBondContact O-N 3.01Å; E55-L60 HydrophobicContact CG-CB 4.44Å; E55-L60 PolarHBondContact O-N 3.47Å; E55-S62 WeakPolarHBondContact OE1-CA 3.48Å; E55-S65 WeakPolarHBondContact CG-OG 3.42Å; E55-S65 WeakPolarHBondContact OE1-CB 3.3Å; E55-S65 PolarHBondContact OE1-OG 3.22Å; E55-K330 IonicContact OE1-NZ 2.89Å; E55-K330 PolarHBondContact OE1-NZ 2.98Å; E55-K330 WeakPolarHBondContact OE2-CE 3.43Å; E55-K330 IonicContact OE2-NZ 3.69Å; E55-K330 PolarHBondContact OE2-NZ 3.1Å; E55-K565 WeakPolarHBondContact O-CD 3.37Å
56K86.4Confident91.2Very high28 Ų2811.8 Ų11.812%0.1226%0.058CC..Hα-helixtrans-64.5-43.4174.9-75.4170.9-169.2-164.50111.5S52 S53 I54 P234 F236 I237S52-K56 WeakPolarHBondContact O-CB 3.44Å; S52-K56 WeakPolarHBondContact O-CG 3.39Å; S52-K56 PolarHBondContact O-N 3.49Å; S52-K56 VanDerWaalsContact O-N 3.14Å; S53-K56 PolarHBondContact O-N 3.44Å; I54-K56 PolarHBondContact O-N 3.28Å; K56-P234 VanDerWaalsContact CE-O 3.29Å; K56-P234 WeakPolarHBondContact CE-O 3.21Å; K56-P234 PolarHBondContact NZ-O 2.93Å; K56-F236 PolarHBondContact NZ-O 3.04Å; K56-I237 HydrophobicContact CB-CD1 3.97Å; K56-I237 HydrophobicContact CB-CG1 3.82Å; K56-I237 HydrophobicContact CD-CG1 4.45Å
57R86.8Confident91.3Very high19 Ų1914.7 Ų14.77%0.0727%0.073CC..Hα-helixtrans-70.4-49-175.1-176.258.3168.2127.7-3.2113S53 I54 E114 G118 I237S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 PolarHBondContact O-N 3.44Å; I54-R57 PolarHBondContact O-N 3.14Å; R57-E114 WeakPolarHBondContact CG-OE2 3.33Å; R57-E114 IonicContact CZ-OE1 3.4Å; R57-E114 VanDerWaalsContact NE-CD 3.34Å; R57-E114 IonicContact NE-OE1 2.77Å; R57-E114 PolarHBondContact NE-OE1 3.27Å; R57-E114 IonicContact NE-OE2 2.58Å; R57-E114 PolarHBondContact NE-OE2 3.29Å; R57-E114 VanDerWaalsContact NE-OE2 3.15Å; R57-E114 IonicContact NH2-OE1 3.84Å; R57-E114 PolarHBondContact NH2-OE1 3.41Å; R57-G118 PolarHBondContact NH1-O 3.3Å; R57-G118 PolarHBondContact NH2-O 3.49Å; R57-I237 HydrophobicContact CB-CD1 3.95Å
58F86.5Confident91.3Very high17 Ų1714.5 Ų14.58%0.0757%0.072CC..Hα-helixtrans-1022.4-173.7-56.6-68.8000113.3I54 L60 P113 A117 E152 L156 W240I54-F58 HydrophobicContact CB-CD2 4.49Å; I54-F58 HydrophobicContact CG2-CD2 3.82Å; I54-F58 HydrophobicContact CG2-CE2 4.32Å; I54-F58 WeakPolarHBondContact O-CD2 3.27Å; I54-F58 PolarHBondContact O-N 2.85Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 HydrophobicContact CB-CD1 4.2Å; F58-L60 HydrophobicContact CB-CD2 4.33Å; F58-L60 HydrophobicContact CB-CG 3.89Å; F58-L60 PolarHBondContact O-N 3.4Å; F58-P113 HydrophobicContact CE1-CB 3.73Å; F58-P113 WeakPolarHBondContact CE1-O 3.37Å; F58-P113 HydrophobicContact CE2-CB 4.15Å; F58-P113 HydrophobicContact CZ-CB 3.4Å; F58-A117 HydrophobicContact CD1-CB 4.41Å; F58-A117 HydrophobicContact CE1-CB 3.84Å; F58-E152 HydrophobicContact CD1-CB 3.67Å; F58-E152 HydrophobicContact CD1-CG 3.85Å; F58-E152 HydrophobicContact CE1-CB 4.01Å; F58-E152 HydrophobicContact CE1-CG 4.06Å; F58-E152 HydrophobicContact CG-CB 4.32Å; F58-L156 HydrophobicContact CD2-CD1 4.18Å; F58-L156 HydrophobicContact CE2-CD1 4.35Å; F58-W240 HydrophobicContact CE2-CH2 4.05Å; F58-W240 AromaticContact CE2-CZ2 3.7Å; F58-W240 HydrophobicContact CE2-CZ2 3.7Å; F58-W240 HydrophobicContact CZ-CH2 4.43Å; F58-W240 AromaticContact CZ-CZ2 3.97Å; F58-W240 HydrophobicContact CZ-CZ2 3.97Å
59K85.8Confident91.3Very high52 Ų5214.9 Ų14.923%0.2268%0.076CC..THydrogen-bonded Turntrans56.246.5177.3-50.6-171.1-176.1175.10112.3E55 D560 S563 K565E55-K59 WeakPolarHBondContact O-CA 3.39Å; E55-K59 PolarHBondContact O-N 3.01Å; K59-D560 WeakPolarHBondContact CD-OD2 3.47Å; K59-D560 VanDerWaalsContact CE-OD2 3.26Å; K59-D560 WeakPolarHBondContact CE-OD2 3.32Å; K59-D560 IonicContact NZ-OD1 3.23Å; K59-D560 PolarHBondContact NZ-OD1 3.42Å; K59-D560 IonicContact NZ-OD2 2.74Å; K59-D560 PolarHBondContact NZ-OD2 3.14Å; K59-S563 PolarHBondContact O-OG 3.26Å; K59-K565 HydrophobicContact CB-CB 4.15Å
60L88.2Confident91.4Very high4 Ų415 Ų152%0.0218%0.076CC..  trans-88.5152.7-178.6-59.1177.1000111.8I54 E55 F58 Q64 L153 L156I54-L60 HydrophobicContact CG2-CD1 3.96Å; E55-L60 HydrophobicContact CG-CB 4.44Å; E55-L60 PolarHBondContact O-N 3.47Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 HydrophobicContact CB-CD1 4.2Å; F58-L60 HydrophobicContact CB-CD2 4.33Å; F58-L60 HydrophobicContact CB-CG 3.89Å; F58-L60 PolarHBondContact O-N 3.4Å; L60-Q64 HydrophobicContact CB-CB 4.32Å; L60-L153 HydrophobicContact CD1-CD1 4.16Å; L60-L153 HydrophobicContact CD2-CB 4.33Å; L60-L156 HydrophobicContact CD1-CD1 4.28Å
61T91Very high91.5Very high19 Ų1915.7 Ų15.712%0.1178%0.08CC..  trans-74.2157.2167.163.90000111T63 Q64 S65 D551 W557 Q564T61-T63 PolarHBondContact O-N 2.92Å; T61-Q64 WeakPolarHBondContact O-CB 3.37Å; T61-Q64 PolarHBondContact O-N 3.06Å; T61-Q64 VanDerWaalsContact O-N 3.16Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.39Å; T61-Q64 VanDerWaalsContact OG1-CD 3.28Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.44Å; T61-Q64 PolarHBondContact OG1-N 3.45Å; T61-Q64 PolarHBondContact OG1-OE1 3.47Å; T61-S65 PolarHBondContact O-N 3.36Å; T61-S65 VanDerWaalsContact O-N 3.1Å; T61-S65 PolarHBondContact O-OG 3.47Å; T61-D551 WeakPolarHBondContact CB-OD2 3.49Å; T61-W557 HydrophobicContact CG2-CH2 4.16Å; T61-W557 HydrophobicContact CG2-CZ3 3.93Å; T61-Q564 HydrophobicContact CG2-CG 4.32Å
62S93Very high91.6Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-65.9-31.3178.8-40.20000111.9E55 S65 G66 F327 K330 G547 I550 D551 Y569E55-S62 WeakPolarHBondContact OE1-CA 3.48Å; S62-S65 PolarHBondContact O-N 3.36Å; S62-G66 PolarHBondContact O-N 3.4Å; S62-F327 WeakPolarHBondContact O-CZ 3.38Å; S62-K330 PolarHBondContact OG-NZ 3.06Å; S62-G547 WeakPolarHBondContact CB-O 3.27Å; S62-G547 WeakPolarHBondContact O-CA 3.36Å; S62-I550 VanDerWaalsContact OG-CG2 3.23Å; S62-I550 WeakPolarHBondContact OG-CG2 3.28Å; S62-D551 WeakPolarHBondContact CA-OD1 3.29Å; S62-D551 WeakPolarHBondContact CB-OD1 3.41Å; S62-D551 PolarHBondContact N-OD1 2.65Å; S62-D551 PolarHBondContact N-OD2 3.2Å; S62-D551 VanDerWaalsContact N-OD2 3.16Å; S62-D551 PolarHBondContact OG-OD1 3.42Å; S62-Y569 PolarHBondContact OG-OH 3.03Å
63T93.8Very high91.8Very high30 Ų3016.5 Ų16.518%0.1848%0.084CC..Hα-helixtrans-63.1-43.7173.2-54.50000111T61 G66 I67 I544 Y548 D551T61-T63 PolarHBondContact O-N 2.92Å; T63-G66 PolarHBondContact O-N 3.2Å; T63-I67 HydrophobicContact CG2-CD1 4.45Å; T63-I67 WeakPolarHBondContact O-CG1 3.04Å; T63-I67 PolarHBondContact O-N 3.43Å; T63-I544 HydrophobicContact CG2-CG2 4.23Å; T63-Y548 WeakPolarHBondContact OG1-CA 2.9Å; T63-Y548 PolarHBondContact OG1-N 2.99Å; T63-D551 VanDerWaalsContact CB-OD2 3.3Å; T63-D551 WeakPolarHBondContact CB-OD2 3.41Å; T63-D551 PolarHBondContact N-OD2 2.86Å; T63-D551 PolarHBondContact OG1-OD2 3.05Å
64Q93.3Very high92Very high47 Ų4719.2 Ų19.222%0.2210%0.1CC..Hα-helixtrans-63.4-41.2175.2-75165.9-33.700111.9L60 T61 G66 I67 F68 L153L60-Q64 HydrophobicContact CB-CB 4.32Å; T61-Q64 WeakPolarHBondContact O-CB 3.37Å; T61-Q64 PolarHBondContact O-N 3.06Å; T61-Q64 VanDerWaalsContact O-N 3.16Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.39Å; T61-Q64 VanDerWaalsContact OG1-CD 3.28Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.44Å; T61-Q64 PolarHBondContact OG1-N 3.45Å; T61-Q64 PolarHBondContact OG1-OE1 3.47Å; Q64-G66 VanDerWaalsContact C-N 3.3Å; Q64-G66 PolarHBondContact O-N 3.03Å; Q64-I67 WeakPolarHBondContact O-CB 3.37Å; Q64-I67 PolarHBondContact O-N 2.6Å; Q64-F68 PolarHBondContact O-N 3.1Å; Q64-L153 HydrophobicContact CB-CD1 4.42Å; Q64-L153 HydrophobicContact CB-CD2 4.22Å; Q64-L153 HydrophobicContact CG-CD2 3.95Å
65S93.2Very high92.2Very high2 Ų222.5 Ų22.51%0.01412%0.115CC..Hα-helixtrans-62.7-36.8172.6-55.10000112.7E55 T61 S62 F68 A69E55-S65 WeakPolarHBondContact CG-OG 3.42Å; E55-S65 WeakPolarHBondContact OE1-CB 3.3Å; E55-S65 PolarHBondContact OE1-OG 3.22Å; T61-S65 PolarHBondContact O-N 3.36Å; T61-S65 VanDerWaalsContact O-N 3.1Å; T61-S65 PolarHBondContact O-OG 3.47Å; S62-S65 PolarHBondContact O-N 3.36Å; S65-F68 WeakPolarHBondContact O-CB 3.48Å; S65-F68 PolarHBondContact O-N 2.95Å; S65-A69 PolarHBondContact O-N 3.26Å; S65-A69 VanDerWaalsContact O-N 3.07Å
66G94Very high92.4Very high0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-63.8-40.9173.400000112.2S62 T63 Q64 F68 A69 A70S62-G66 PolarHBondContact O-N 3.4Å; T63-G66 PolarHBondContact O-N 3.2Å; Q64-G66 VanDerWaalsContact C-N 3.3Å; Q64-G66 PolarHBondContact O-N 3.03Å; G66-F68 VanDerWaalsContact C-N 3.34Å; G66-A69 PolarHBondContact O-N 2.97Å; G66-A70 WeakPolarHBondContact O-CB 3.05Å; G66-A70 PolarHBondContact O-N 3.43Å
67I95.5Very high92.6Very high63 Ų6321.8 Ų21.832%0.32311%0.113SC..Hα-helixtrans-63.1-41173.3-66.8165.7000110.8T63 Q64 A70 T71 L157 I544T63-I67 HydrophobicContact CG2-CD1 4.45Å; T63-I67 WeakPolarHBondContact O-CG1 3.04Å; T63-I67 PolarHBondContact O-N 3.43Å; Q64-I67 WeakPolarHBondContact O-CB 3.37Å; Q64-I67 PolarHBondContact O-N 2.6Å; I67-A70 PolarHBondContact O-N 3.44Å; I67-T71 PolarHBondContact O-N 2.74Å; I67-T71 PolarHBondContact O-OG1 3Å; I67-L157 HydrophobicContact CG2-CD1 4.48Å; I67-L157 HydrophobicContact CG2-CD2 4.14Å; I67-I544 HydrophobicContact CG1-CD1 4.27Å; I67-I544 HydrophobicContact CG1-CG1 4.08Å
68F94.9Very high92.8Very high2 Ų224.9 Ų24.91%0.00913%0.133CC..Hα-helixtrans-56.7-50.4174.2164.2-111.7000111.8V47 I54 Q64 S65 G66 A70 T71 L156 L157 Q160V47-F68 HydrophobicContact CG1-CD1 4.2Å; V47-F68 HydrophobicContact CG1-CE1 3.79Å; V47-F68 HydrophobicContact CG2-CE1 4.42Å; V47-F68 HydrophobicContact CG2-CZ 4.47Å; I54-F68 HydrophobicContact CD1-CE1 3.85Å; I54-F68 HydrophobicContact CD1-CZ 4.17Å; Q64-F68 PolarHBondContact O-N 3.1Å; S65-F68 WeakPolarHBondContact O-CB 3.48Å; S65-F68 PolarHBondContact O-N 2.95Å; G66-F68 VanDerWaalsContact C-N 3.34Å; F68-A70 PolarHBondContact O-N 3.06Å; F68-T71 PolarHBondContact O-N 3.42Å; F68-L156 HydrophobicContact CD2-CB 3.71Å; F68-L156 HydrophobicContact CE2-CB 3.79Å; F68-L156 HydrophobicContact CE2-CD2 4.08Å; F68-L156 HydrophobicContact CE2-CG 4.47Å; F68-L156 HydrophobicContact CZ-CD2 4.39Å; F68-L157 HydrophobicContact CB-CD2 4.14Å; F68-Q160 HydrophobicContact CD2-CG 3.54Å; F68-Q160 HydrophobicContact CE2-CG 3.29Å; F68-Q160 HydrophobicContact CG-CG 4.47Å; F68-Q160 HydrophobicContact CZ-CG 4.05Å; F68-Q160 VanDerWaalsContact CZ-NE2 3.35Å
69A93.9Very high93.1Very high13 Ų1326.7 Ų26.711%0.10714%0.143CC..Hα-helixtrans-63.5-41.8176.400000112.8V47 S65 G66 T71 T326 A543V47-A69 HydrophobicContact CG1-CB 3.98Å; S65-A69 PolarHBondContact O-N 3.26Å; S65-A69 VanDerWaalsContact O-N 3.07Å; G66-A69 PolarHBondContact O-N 2.97Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 3.39Å; A69-T326 HydrophobicContact CB-CG2 3.59Å; A69-A543 HydrophobicContact CB-CB 4.49Å
70A95.4Very high93.1Very high2 Ų226.1 Ų26.12%0.01714%0.142CC..Hα-helixtrans-68.4-25.6-178.300000114G66 I67 F68 Y72 D73 V74 I540 A543 I544G66-A70 WeakPolarHBondContact O-CB 3.05Å; G66-A70 PolarHBondContact O-N 3.43Å; I67-A70 PolarHBondContact O-N 3.44Å; F68-A70 PolarHBondContact O-N 3.06Å; A70-Y72 VanDerWaalsContact C-N 3.25Å; A70-Y72 PolarHBondContact O-N 3.43Å; A70-D73 PolarHBondContact O-N 3.1Å; A70-V74 PolarHBondContact O-N 3.37Å; A70-I540 HydrophobicContact CB-CG2 4.31Å; A70-A543 HydrophobicContact CB-CB 4.36Å; A70-I544 HydrophobicContact CB-CD1 4.45Å; A70-I544 HydrophobicContact CB-CG1 4.31Å
71T96.3Very high92.9Very high15 Ų1530.9 Ų30.99%0.09217%0.166CC..Hα-helixtrans-59.6-36.1-176.2-66.10000112.3I67 F68 A69 D73 V74 F75 L157 Q160I67-T71 PolarHBondContact O-N 2.74Å; I67-T71 PolarHBondContact O-OG1 3Å; F68-T71 PolarHBondContact O-N 3.42Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 3.39Å; T71-D73 VanDerWaalsContact C-N 3.34Å; T71-D73 PolarHBondContact O-N 3.37Å; T71-V74 WeakPolarHBondContact O-CB 3.19Å; T71-V74 PolarHBondContact O-N 3.04Å; T71-F75 HydrophobicContact CG2-CD2 3.76Å; T71-F75 HydrophobicContact CG2-CE2 3.75Å; T71-F75 WeakPolarHBondContact O-CD2 3.25Å; T71-F75 PolarHBondContact O-N 3.44Å; T71-F75 VanDerWaalsContact O-N 3.16Å; T71-L157 HydrophobicContact CG2-CB 4.46Å; T71-Q160 HydrophobicContact CG2-CB 4.04Å
72Y94.9Very high92.6Very high12 Ų1232.3 Ų32.35%0.04718%0.176CC..Hα-helixtrans-53.1-50.7172.4166.2-97.5000111.9Q39 V43 A70 V74 F75 V76 V163 G164 A167Q39-Y72 PolarHBondContact NE2-OH 2.89Å; V43-Y72 HydrophobicContact CG1-CD1 3.51Å; V43-Y72 HydrophobicContact CG1-CD2 4.16Å; V43-Y72 HydrophobicContact CG1-CE1 3.62Å; V43-Y72 HydrophobicContact CG1-CE2 4.26Å; V43-Y72 HydrophobicContact CG1-CG 3.8Å; V43-Y72 HydrophobicContact CG2-CD2 3.82Å; V43-Y72 HydrophobicContact CG2-CE1 4.45Å; V43-Y72 HydrophobicContact CG2-CE2 3.65Å; V43-Y72 HydrophobicContact CG2-CG 4.3Å; A70-Y72 VanDerWaalsContact C-N 3.25Å; A70-Y72 PolarHBondContact O-N 3.43Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 3.41Å; Y72-F75 PolarHBondContact O-N 3.35Å; Y72-V76 HydrophobicContact CD1-CG2 4.38Å; Y72-V76 HydrophobicContact CD2-CG2 4.23Å; Y72-V76 HydrophobicContact CE1-CG2 3.9Å; Y72-V76 HydrophobicContact CE2-CG2 3.72Å; Y72-V76 WeakPolarHBondContact O-CG2 3.32Å; Y72-V76 PolarHBondContact O-N 3.49Å; Y72-V163 HydrophobicContact CD2-CB 4.41Å; Y72-V163 HydrophobicContact CD2-CG1 3.86Å; Y72-V163 HydrophobicContact CE2-CG1 4.03Å; Y72-G164 VanDerWaalsContact CD2-CA 3.4Å; Y72-A167 HydrophobicContact CE2-CB 3.72Å
73D93.6Very high92.3Very high14 Ų1433.3 Ų33.38%0.07518%0.181CC..Hα-helixtrans-68.6-31.7-177.2-82.5-42.6000113.1A70 T71 T77 R535 S539 I540A70-D73 PolarHBondContact O-N 3.1Å; T71-D73 VanDerWaalsContact C-N 3.34Å; T71-D73 PolarHBondContact O-N 3.37Å; D73-T77 WeakPolarHBondContact O-CB 3.47Å; D73-T77 PolarHBondContact O-N 3.29Å; D73-T77 PolarHBondContact O-OG1 2.74Å; D73-R535 IonicContact OD1-CZ 2.6Å; D73-R535 IonicContact OD1-NH1 3.93Å; D73-R535 PolarHBondContact OD1-NH1 2.67Å; D73-S539 WeakPolarHBondContact OD2-CB 3.44Å; D73-I540 HydrophobicContact CB-CD1 4.36Å; D73-I540 HydrophobicContact CB-CG1 3.79Å
74V95Very high91.5Very high58 Ų5835.1 Ų35.135%0.35220%0.2SC..Hα-helixtrans-58.8-54.2173.1174.70000109.4A70 T71 Y72 V76 T77 V78 I540A70-V74 PolarHBondContact O-N 3.37Å; T71-V74 WeakPolarHBondContact O-CB 3.19Å; T71-V74 PolarHBondContact O-N 3.04Å; Y72-V74 VanDerWaalsContact C-N 3.33Å; Y72-V74 PolarHBondContact O-N 3.41Å; V74-V76 PolarHBondContact O-N 2.93Å; V74-T77 WeakPolarHBondContact O-CB 3.37Å; V74-T77 PolarHBondContact O-N 3.24Å; V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.84Å; V74-I540 HydrophobicContact CB-CD1 4.37Å; V74-I540 HydrophobicContact CG2-CD1 3.65Å; V74-I540 HydrophobicContact CG2-CG1 4.01Å; V74-I540 HydrophobicContact CG2-CG2 4.27Å
75F95.3Very high90.8Very high71 Ų7138.9 Ų38.931%0.31122%0.221SC..Hα-helixtrans-70.3-31.9-177.2-80.6-79.8000113.1T71 Y72 V78 M79 A161 I165T71-F75 HydrophobicContact CG2-CD2 3.76Å; T71-F75 HydrophobicContact CG2-CE2 3.75Å; T71-F75 WeakPolarHBondContact O-CD2 3.25Å; T71-F75 PolarHBondContact O-N 3.44Å; T71-F75 VanDerWaalsContact O-N 3.16Å; Y72-F75 PolarHBondContact O-N 3.35Å; F75-V78 PolarHBondContact O-N 2.86Å; F75-M79 WeakPolarHBondContact O-CB 3.43Å; F75-M79 WeakPolarHBondContact O-CG 3.29Å; F75-M79 PolarHBondContact O-N 3.21Å; F75-A161 HydrophobicContact CD1-CB 4.17Å; F75-A161 VanDerWaalsContact CD2-CA 3.48Å; F75-A161 HydrophobicContact CD2-CB 3.47Å; F75-A161 VanDerWaalsContact CD2-CB 3.47Å; F75-A161 HydrophobicContact CE1-CB 4.04Å; F75-A161 HydrophobicContact CE2-CB 3.31Å; F75-A161 HydrophobicContact CG-CB 3.91Å; F75-A161 HydrophobicContact CZ-CB 3.62Å; F75-I165 HydrophobicContact CB-CG1 4.18Å; F75-I165 HydrophobicContact CD1-CD1 3.99Å; F75-I165 HydrophobicContact CD1-CG1 4Å; F75-I165 HydrophobicContact CE1-CD1 4.49Å; F75-I165 HydrophobicContact CG-CG1 4.43Å
76V93.3Very high90.2Very high2 Ų245.1 Ų45.11%0.01225%0.245CC..Hα-helixtrans-61.9-47.3170.5176.40000110.9Y72 V74 V78 M79 L80 G164 S168 R535Y72-V76 HydrophobicContact CD1-CG2 4.38Å; Y72-V76 HydrophobicContact CD2-CG2 4.23Å; Y72-V76 HydrophobicContact CE1-CG2 3.9Å; Y72-V76 HydrophobicContact CE2-CG2 3.72Å; Y72-V76 WeakPolarHBondContact O-CG2 3.32Å; Y72-V76 PolarHBondContact O-N 3.49Å; V74-V76 PolarHBondContact O-N 2.93Å; V76-V78 VanDerWaalsContact C-N 3.31Å; V76-V78 PolarHBondContact O-N 3.17Å; V76-M79 PolarHBondContact O-N 2.97Å; V76-L80 HydrophobicContact CG1-CG 4.32Å; V76-L80 WeakPolarHBondContact O-CG 3.3Å; V76-L80 PolarHBondContact O-N 3.05Å; V76-G164 VanDerWaalsContact CG2-O 3.29Å; V76-G164 WeakPolarHBondContact CG2-O 3.45Å; V76-S168 VanDerWaalsContact CA-OG 3.31Å; V76-S168 WeakPolarHBondContact CA-OG 3.47Å; V76-R535 VanDerWaalsContact CB-NH1 3.29Å
77T91Very high89.3Confident16 Ų1646.4 Ų46.410%0.09826%0.255CS..Hα-helixtrans-58.9-43.5179.9-580000111.6D73 V74 M79 L80 I536D73-T77 WeakPolarHBondContact O-CB 3.47Å; D73-T77 PolarHBondContact O-N 3.29Å; D73-T77 PolarHBondContact O-OG1 2.74Å; V74-T77 WeakPolarHBondContact O-CB 3.37Å; V74-T77 PolarHBondContact O-N 3.24Å; T77-M79 VanDerWaalsContact C-N 3.3Å; T77-M79 PolarHBondContact O-N 3.43Å; T77-L80 PolarHBondContact O-N 2.88Å; T77-I536 HydrophobicContact CG2-CD1 3.83Å; T77-I536 HydrophobicContact CG2-CG1 3.67Å
78V91.9Very high88.3Confident83 Ų8349.3 Ų49.350%0.50328%0.276SS..Hα-helixtrans-60.5-41175.5172.40000111.3V74 F75 V76 P82V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.84Å; F75-V78 PolarHBondContact O-N 2.86Å; V76-V78 VanDerWaalsContact C-N 3.31Å; V76-V78 PolarHBondContact O-N 3.17Å; V78-P82 WeakPolarHBondContact O-CD 3.34Å
79M91.3Very high87.5Confident56 Ų5657 Ų5728%0.27631%0.309SS..Hα-helixtrans-77-19.5-178.4-75.6-61.5170.200114.7F75 V76 T77 I81 P82 L83 I165 S168F75-M79 WeakPolarHBondContact O-CB 3.43Å; F75-M79 WeakPolarHBondContact O-CG 3.29Å; F75-M79 PolarHBondContact O-N 3.21Å; V76-M79 PolarHBondContact O-N 2.97Å; T77-M79 VanDerWaalsContact C-N 3.3Å; T77-M79 PolarHBondContact O-N 3.43Å; M79-I81 VanDerWaalsContact C-N 3.28Å; M79-I81 PolarHBondContact O-N 3.21Å; M79-P82 VanDerWaalsContact O-CD 3.25Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 VanDerWaalsContact O-CG 3.32Å; M79-P82 WeakPolarHBondContact O-CG 3.31Å; M79-P82 HydrophobicContact SD-CG 4.15Å; M79-L83 HydrophobicContact CB-CD1 4.5Å; M79-L83 WeakPolarHBondContact O-CB 3.47Å; M79-L83 WeakPolarHBondContact O-CD1 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.42Å; M79-L83 PolarHBondContact O-N 3.13Å; M79-I165 HydrophobicContact CE-CB 4.24Å; M79-I165 HydrophobicContact CE-CD1 3.9Å; M79-I165 HydrophobicContact CE-CG1 3.66Å; M79-I165 HydrophobicContact CE-CG2 3.7Å; M79-I165 HydrophobicContact CG-CB 4.26Å; M79-I165 HydrophobicContact CG-CG1 4Å; M79-I165 HydrophobicContact CG-CG2 4.21Å; M79-I165 HydrophobicContact SD-CG2 4.32Å; M79-S168 WeakPolarHBondContact CB-OG 3.36Å
80L86.2Confident87Confident39 Ų3958.4 Ų58.420%0.20432%0.316CS..Hα-helixtrans-61.2-35.7176.2-72.8176000112.6V76 T77 A84 T172V76-L80 HydrophobicContact CG1-CG 4.32Å; V76-L80 WeakPolarHBondContact O-CG 3.3Å; V76-L80 PolarHBondContact O-N 3.05Å; T77-L80 PolarHBondContact O-N 2.88Å; L80-A84 WeakPolarHBondContact O-CB 3.47Å; L80-A84 PolarHBondContact O-N 2.89Å; L80-T172 WeakPolarHBondContact CD2-OG1 3.25Å
81I83.3Confident86.5Confident104 Ų10460 Ų6053%0.53333%0.325SS..Hα-helixtrans-62.9-58.2-179.5-58.2173.2000111.9M79 L83 A84 L85M79-I81 VanDerWaalsContact C-N 3.28Å; M79-I81 PolarHBondContact O-N 3.21Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 3.09Å; I81-A84 PolarHBondContact O-N 3.28Å; I81-L85 HydrophobicContact CG2-CD1 4.26Å; I81-L85 WeakPolarHBondContact O-CG 3.39Å; I81-L85 PolarHBondContact O-N 2.88Å; I81-L85 VanDerWaalsContact O-N 3.13Å
82P85.9Confident86.1Confident49 Ų4960.7 Ų60.732%0.31833%0.327SS..Hα-helixtrans-62.8-37.4178.224-33.3000111.9V78 M79 A84 L85 Y86V78-P82 WeakPolarHBondContact O-CD 3.34Å; M79-P82 VanDerWaalsContact O-CD 3.25Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 VanDerWaalsContact O-CG 3.32Å; M79-P82 WeakPolarHBondContact O-CG 3.31Å; M79-P82 HydrophobicContact SD-CG 4.15Å; P82-A84 VanDerWaalsContact C-N 3.3Å; P82-A84 PolarHBondContact O-N 3.17Å; P82-L85 PolarHBondContact O-N 3.09Å; P82-Y86 VanDerWaalsContact O-CD2 3.28Å; P82-Y86 WeakPolarHBondContact O-CD2 3.35Å; P82-Y86 PolarHBondContact O-N 3.48Å
83L85.5Confident85.8Confident21 Ų2160.2 Ų60.211%0.1133%0.325CS..Hα-helixtrans-61.9-38.2177.5-70.2171.8000112.3M79 I81 A87 P169 T172 Y173M79-L83 HydrophobicContact CB-CD1 4.5Å; M79-L83 WeakPolarHBondContact O-CB 3.47Å; M79-L83 WeakPolarHBondContact O-CD1 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.42Å; M79-L83 PolarHBondContact O-N 3.13Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 3.09Å; L83-A87 WeakPolarHBondContact O-CB 3.21Å; L83-A87 PolarHBondContact O-N 3.3Å; L83-P169 HydrophobicContact CD1-CG 4.11Å; L83-P169 HydrophobicContact CD2-CB 4.35Å; L83-P169 HydrophobicContact CD2-CG 4.02Å; L83-T172 HydrophobicContact CB-CG2 4.33Å; L83-Y173 WeakPolarHBondContact CA-OH 3.2Å; L83-Y173 HydrophobicContact CB-CE1 4.39Å; L83-Y173 HydrophobicContact CD2-CD2 4.31Å; L83-Y173 HydrophobicContact CD2-CE2 3.5Å; L83-Y173 WeakPolarHBondContact O-CE1 3.34Å; L83-Y173 PolarHBondContact O-OH 3.3Å
84A78Confident85.7Confident69 Ų6964 Ų6457%0.5734%0.34SS*.Hα-helixtrans-66.4-44.2174.900000112L80 I81 P82 Y86 A87L80-A84 WeakPolarHBondContact O-CB 3.47Å; L80-A84 PolarHBondContact O-N 2.89Å; I81-A84 PolarHBondContact O-N 3.28Å; P82-A84 VanDerWaalsContact C-N 3.3Å; P82-A84 PolarHBondContact O-N 3.17Å; A84-Y86 VanDerWaalsContact C-N 3.35Å; A84-Y86 PolarHBondContact O-N 3.38Å; A84-A87 PolarHBondContact O-N 2.88Å
85L79Confident85.6Confident126 Ų12662.8 Ų62.866%0.6634%0.335SS*.Hα-helixtrans-65.9-34-178.2-67.9175.2000113.6I81 P82I81-L85 HydrophobicContact CG2-CD1 4.26Å; I81-L85 WeakPolarHBondContact O-CG 3.39Å; I81-L85 PolarHBondContact O-N 2.88Å; I81-L85 VanDerWaalsContact O-N 3.13Å; P82-L85 PolarHBondContact O-N 3.09Å
86Y80.9Confident85.5Confident133 Ų13359.5 Ų59.552%0.52232%0.32SS..Hα-helixtrans-100.53.7-176.8-69.9-76.8000114.1P82 A84 T88 K89 V90P82-Y86 VanDerWaalsContact O-CD2 3.28Å; P82-Y86 WeakPolarHBondContact O-CD2 3.35Å; P82-Y86 PolarHBondContact O-N 3.48Å; A84-Y86 VanDerWaalsContact C-N 3.35Å; A84-Y86 PolarHBondContact O-N 3.38Å; Y86-T88 VanDerWaalsContact C-N 3.25Å; Y86-T88 PolarHBondContact O-N 3.2Å; Y86-K89 PolarHBondContact O-N 3.4Å; Y86-V90 WeakPolarHBondContact O-CG2 3.49Å; Y86-V90 PolarHBondContact O-N 3.36Å
87A74.1Confident85.6Confident26 Ų2659.4 Ų59.422%0.21532%0.319CS..THydrogen-bonded Turntrans-52.8-35-171.500000115.2L83 A84 K92 Y173L83-A87 WeakPolarHBondContact O-CB 3.21Å; L83-A87 PolarHBondContact O-N 3.3Å; A84-A87 PolarHBondContact O-N 2.88Å; A87-K92 WeakPolarHBondContact O-CE 3.07Å; A87-Y173 HydrophobicContact CB-CE1 3.88Å
88T74.1Confident85.8Confident125 Ų12563.2 Ų63.277%0.76734%0.339SS*.THydrogen-bonded Turntrans-90-17.3-179.255.70000113.7Y86Y86-T88 VanDerWaalsContact C-N 3.25Å; Y86-T88 PolarHBondContact O-N 3.2Å
89K77.9Confident86Confident163 Ų16359.4 Ų59.471%0.70932%0.317SS*.THydrogen-bonded Turntrans-96.1-20.5-173-64.1-175.7179.4-179.10113.3Y86Y86-K89 PolarHBondContact O-N 3.4Å
90V83.5Confident86.2Confident42 Ų4256.8 Ų56.826%0.25530%0.304SS..SBendtrans-101.9159.2-173.7-59.80000112.9Y86 K92 Y173Y86-V90 WeakPolarHBondContact O-CG2 3.49Å; Y86-V90 PolarHBondContact O-N 3.36Å; V90-K92 PolarHBondContact O-N 3.48Å; V90-Y173 HydrophobicContact CG2-CE2 3.87Å
91N86.5Confident86.7Confident37 Ų3758.1 Ų58.120%0.19831%0.31CS..  trans-79.397.9165.6-175.8-26.5000109V93 K94 C95N91-V93 VanDerWaalsContact C-N 3.3Å; N91-V93 PolarHBondContact O-N 2.87Å; N91-V93 PolarHBondContact OD1-N 3.46Å; N91-K94 HydrophobicContact CB-CB 4.19Å; N91-K94 HydrophobicContact CB-CD 4.23Å; N91-K94 HydrophobicContact CB-CG 4.29Å; N91-K94 PolarHBondContact O-N 3.39Å; N91-K94 VanDerWaalsContact O-N 3.16Å; N91-K94 PolarHBondContact OD1-N 3.22Å; N91-C95 PolarHBondContact O-N 3.28Å; N91-C95 PolarHBondContact O-SG 2.89Å
92K87.2Confident87.4Confident29 Ų2955.9 Ų55.913%0.12630%0.298CS..Hα-helixtrans-50-46.1-178.2-67179.3-179.5-176.20113.3A87 V90 K94 C95 I96 Y173 T176 C177 E180A87-K92 WeakPolarHBondContact O-CE 3.07Å; V90-K92 PolarHBondContact O-N 3.48Å; K92-K94 PolarHBondContact O-N 2.88Å; K92-C95 WeakPolarHBondContact O-CB 3.33Å; K92-C95 PolarHBondContact O-N 3.46Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.16Å; K92-Y173 HydrophobicContact CB-CD2 4.28Å; K92-Y173 HydrophobicContact CB-CG 4.17Å; K92-Y173 HydrophobicContact CG-CD1 4.26Å; K92-Y173 HydrophobicContact CG-CD2 4.34Å; K92-Y173 HydrophobicContact CG-CG 4.08Å; K92-T176 PolarHBondContact NZ-OG1 2.9Å; K92-C177 VanDerWaalsContact CB-SG 3.56Å; K92-E180 VanDerWaalsContact NZ-CD 3.3Å; K92-E180 IonicContact NZ-OE1 3.22Å; K92-E180 PolarHBondContact NZ-OE1 3.49Å; K92-E180 IonicContact NZ-OE2 2.81Å; K92-E180 PolarHBondContact NZ-OE2 3.27Å
93V89.4Confident88Confident1 Ų153.6 Ų53.61%0.00628%0.283CS..Hα-helixtrans-64.3-43.1-177.5-178.60000111.4F28 N91 I96 G97 F181 L258 F261F28-V93 HydrophobicContact CE2-CG1 3.81Å; F28-V93 HydrophobicContact CE2-CG2 4.08Å; F28-V93 HydrophobicContact CZ-CG2 4.33Å; N91-V93 VanDerWaalsContact C-N 3.3Å; N91-V93 PolarHBondContact O-N 2.87Å; N91-V93 PolarHBondContact OD1-N 3.46Å; V93-I96 PolarHBondContact O-N 2.9Å; V93-G97 PolarHBondContact O-N 3.48Å; V93-F181 HydrophobicContact CG2-CE2 3.62Å; V93-F181 HydrophobicContact CG2-CZ 3.63Å; V93-L258 WeakPolarHBondContact CG1-O 3.48Å; V93-F261 HydrophobicContact CG1-CB 3.5Å; V93-F261 VanDerWaalsContact CG1-CB 3.5Å; V93-F261 HydrophobicContact CG1-CG 4.38Å
94K90.6Very high88.5Confident93 Ų9352.6 Ų52.640%0.40428%0.278SS..Hα-helixtrans-65.9-38.4175.3-68.9-174.9178.5-175.80112.4N91 K92 I96 G97 L98N91-K94 HydrophobicContact CB-CB 4.19Å; N91-K94 HydrophobicContact CB-CD 4.23Å; N91-K94 HydrophobicContact CB-CG 4.29Å; N91-K94 PolarHBondContact O-N 3.39Å; N91-K94 VanDerWaalsContact O-N 3.16Å; N91-K94 PolarHBondContact OD1-N 3.22Å; K92-K94 PolarHBondContact O-N 2.88Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 PolarHBondContact O-N 2.89Å; K94-G97 PolarHBondContact O-N 3.02Å; K94-L98 WeakPolarHBondContact O-CB 3.48Å; K94-L98 WeakPolarHBondContact O-CG 3.35Å; K94-L98 PolarHBondContact O-N 3.23Å
95C92.6Very high89.4Confident34 Ų3452.8 Ų52.823%0.2327%0.269CS..Hα-helixtrans-61.3-38.9174.1-69.30000111.9N91 K92 G99 P169 Y173N91-C95 PolarHBondContact O-N 3.28Å; N91-C95 PolarHBondContact O-SG 2.89Å; K92-C95 WeakPolarHBondContact O-CB 3.33Å; K92-C95 PolarHBondContact O-N 3.46Å; C95-G99 PolarHBondContact O-N 3.23Å; C95-P169 HydrophobicContact CB-CB 4.47Å; C95-Y173 HydrophobicContact CB-CD2 3.85Å; C95-Y173 HydrophobicContact CB-CE2 3.87Å
96I94.1Very high90.3Very high1 Ų146.8 Ų46.81%0.00524%0.237CC..Hα-helixtrans-64.2-47.8174-61.2162.6000110.5L32 K92 V93 K94 G99 M100 P169 L170 L258L32-I96 HydrophobicContact CD1-CD1 4.25Å; L32-I96 HydrophobicContact CD1-CG2 3.94Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.16Å; V93-I96 PolarHBondContact O-N 2.9Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 PolarHBondContact O-N 2.89Å; I96-G99 PolarHBondContact O-N 3.34Å; I96-M100 HydrophobicContact CG2-CG 4.44Å; I96-M100 WeakPolarHBondContact O-CG 3.02Å; I96-M100 PolarHBondContact O-N 3.38Å; I96-P169 HydrophobicContact CG1-CB 4.36Å; I96-L170 HydrophobicContact CG2-CD1 3.68Å; I96-L258 HydrophobicContact CG2-CD1 4.06Å
97G94.3Very high91Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-59.7-47.9178.600000112.9V93 K94 G99 M100 M101V93-G97 PolarHBondContact O-N 3.48Å; K94-G97 PolarHBondContact O-N 3.02Å; G97-G99 PolarHBondContact O-N 2.92Å; G97-M100 PolarHBondContact O-N 3.33Å; G97-M101 PolarHBondContact O-N 3.33Å
98L95.2Very high92.1Very high96 Ų9641.1 Ų41.150%0.50321%0.212SC..Hα-helixtrans-62.8-41.4175.2-71.6172.3000111.9K94 M100 M101 I102 I259K94-L98 WeakPolarHBondContact O-CB 3.48Å; K94-L98 WeakPolarHBondContact O-CG 3.35Å; K94-L98 PolarHBondContact O-N 3.23Å; L98-M100 PolarHBondContact O-N 3.27Å; L98-M101 WeakPolarHBondContact O-CB 3.21Å; L98-M101 PolarHBondContact O-N 3Å; L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.4Å; L98-I102 VanDerWaalsContact O-N 3.11Å; L98-I259 HydrophobicContact CD2-CD1 4.03Å; L98-I259 HydrophobicContact CG-CD1 4.43Å
99G96.3Very high93.1Very high4 Ų437.3 Ų37.34%0.04119%0.187CC..Hα-helixtrans-58.8-47.117500000112.1C95 I96 G97 M101 I102 V103 G166C95-G99 PolarHBondContact O-N 3.23Å; I96-G99 PolarHBondContact O-N 3.34Å; G97-G99 PolarHBondContact O-N 2.92Å; G99-M101 VanDerWaalsContact C-N 3.29Å; G99-M101 PolarHBondContact O-N 3.15Å; G99-I102 WeakPolarHBondContact O-CA 3.44Å; G99-I102 WeakPolarHBondContact O-CB 3.21Å; G99-I102 PolarHBondContact O-N 3.16Å; G99-V103 PolarHBondContact O-N 3.43Å; G99-G166 CarbonylContact C-O 3.48Å; G99-G166 WeakPolarHBondContact CA-O 3.07Å; G99-G166 CarbonylContact O-C 3.48Å; G99-G166 WeakPolarHBondContact O-CA 3.15Å
100M96.5Very high93.8Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-66.8-28.6177.8-70.1-54.2-5500113.3N35 Q39 I96 G97 L98 V103 G104 L170 A251 A255N35-M100 HydrophobicContact CB-CE 3.86Å; N35-M100 HydrophobicContact CB-CG 3.99Å; N35-M100 HydrophobicContact CB-SD 4.18Å; Q39-M100 HydrophobicContact CB-CE 4.46Å; I96-M100 HydrophobicContact CG2-CG 4.44Å; I96-M100 WeakPolarHBondContact O-CG 3.02Å; I96-M100 PolarHBondContact O-N 3.38Å; G97-M100 PolarHBondContact O-N 3.33Å; L98-M100 PolarHBondContact O-N 3.27Å; M100-V103 HydrophobicContact CE-CB 4.21Å; M100-V103 HydrophobicContact CE-CG1 4.18Å; M100-V103 HydrophobicContact CE-CG2 4.46Å; M100-V103 PolarHBondContact O-N 3.29Å; M100-V103 HydrophobicContact SD-CB 4.49Å; M100-V103 HydrophobicContact SD-CG2 4.16Å; M100-G104 PolarHBondContact O-N 3.16Å; M100-L170 HydrophobicContact CG-CD1 4.3Å; M100-L170 HydrophobicContact SD-CB 4.25Å; M100-L170 HydrophobicContact SD-CD1 4.14Å; M100-L170 HydrophobicContact SD-CD2 3.58Å; M100-L170 VanDerWaalsContact SD-CD2 3.58Å; M100-L170 HydrophobicContact SD-CG 4.19Å; M100-A251 HydrophobicContact CE-CB 4.48Å; M100-A255 HydrophobicContact CB-CB 3.69Å
101M96.5Very high94.3Very high67 Ų6728.9 Ų28.933%0.3315%0.148SC..Hα-helixtrans-63.3-43.5168.4-72-173.870.400111.6G97 L98 G99 V103 G104 I105 L252 A255 I259G97-M101 PolarHBondContact O-N 3.33Å; L98-M101 WeakPolarHBondContact O-CB 3.21Å; L98-M101 PolarHBondContact O-N 3Å; G99-M101 VanDerWaalsContact C-N 3.29Å; G99-M101 PolarHBondContact O-N 3.15Å; M101-V103 VanDerWaalsContact C-N 3.31Å; M101-V103 PolarHBondContact O-N 3.4Å; M101-G104 PolarHBondContact O-N 2.96Å; M101-I105 WeakPolarHBondContact O-CG1 3.42Å; M101-I105 PolarHBondContact O-N 3.42Å; M101-L252 HydrophobicContact CB-CD2 4.3Å; M101-L252 WeakPolarHBondContact O-CD2 3.38Å; M101-A255 HydrophobicContact CG-CB 3.72Å; M101-I259 HydrophobicContact CG-CD1 4.04Å; M101-I259 HydrophobicContact SD-CD1 3.24Å; M101-I259 WeakPolarHBondContact SD-CD1 3.33Å
102I97.3Very high94.5Very high58 Ų5830.1 Ų30.130%0.29715%0.154SC..Hα-helixtrans-63.2-39.1176.3-60.7168.2000110.5L98 G99 I105 G106 F162L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.4Å; L98-I102 VanDerWaalsContact O-N 3.11Å; G99-I102 WeakPolarHBondContact O-CA 3.44Å; G99-I102 WeakPolarHBondContact O-CB 3.21Å; G99-I102 PolarHBondContact O-N 3.16Å; I102-I105 PolarHBondContact O-N 3.22Å; I102-G106 PolarHBondContact O-N 3.32Å; I102-F162 HydrophobicContact CG2-CB 4.17Å; I102-F162 HydrophobicContact CG2-CD1 3.85Å; I102-F162 HydrophobicContact CG2-CG 4.38Å; I102-F162 VanDerWaalsContact CG2-O 3.28Å; I102-F162 WeakPolarHBondContact CG2-O 3.47Å
103V97.6Very high94.7Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-59-47172.2173.90000111.1I42 G99 M100 M101 I105 G106 S107 V163 A167I42-V103 HydrophobicContact CD1-CG1 3.91Å; G99-V103 PolarHBondContact O-N 3.43Å; M100-V103 HydrophobicContact CE-CB 4.21Å; M100-V103 HydrophobicContact CE-CG1 4.18Å; M100-V103 HydrophobicContact CE-CG2 4.46Å; M100-V103 PolarHBondContact O-N 3.29Å; M100-V103 HydrophobicContact SD-CB 4.49Å; M100-V103 HydrophobicContact SD-CG2 4.16Å; M101-V103 VanDerWaalsContact C-N 3.31Å; M101-V103 PolarHBondContact O-N 3.4Å; V103-I105 PolarHBondContact O-N 2.77Å; V103-G106 PolarHBondContact O-N 3.46Å; V103-S107 WeakPolarHBondContact O-CB 3.49Å; V103-S107 PolarHBondContact O-N 3.25Å; V103-V163 HydrophobicContact CG1-CG1 4.34Å; V103-A167 HydrophobicContact CG2-CB 4.04Å; V103-A167 VanDerWaalsContact CG2-N 3.3Å
104G97.2Very high94.6Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-59.9-45.1178.600000112.6M100 M101 S107 I108M100-G104 PolarHBondContact O-N 3.16Å; M101-G104 PolarHBondContact O-N 2.96Å; G104-S107 PolarHBondContact O-N 2.96Å; G104-I108 WeakPolarHBondContact O-CG1 3.36Å; G104-I108 PolarHBondContact O-N 3.31Å; G104-I108 VanDerWaalsContact O-N 3.15Å
105I97.1Very high94.4Very high74 Ų7429.1 Ų29.138%0.37915%0.147SC..Hα-helixtrans-61.6-52.2174.3-64.6167.2000110.2M101 I102 V103 S107 I108 L109 F162 L252M101-I105 WeakPolarHBondContact O-CG1 3.42Å; M101-I105 PolarHBondContact O-N 3.42Å; I102-I105 PolarHBondContact O-N 3.22Å; V103-I105 PolarHBondContact O-N 2.77Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.41Å; I105-I108 PolarHBondContact O-N 2.78Å; I105-L109 HydrophobicContact CG2-CD1 4.21Å; I105-L109 HydrophobicContact CG2-CG 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.03Å; I105-L109 PolarHBondContact O-N 3.5Å; I105-F162 HydrophobicContact CG2-CD1 4.42Å; I105-L252 HydrophobicContact CG1-CD2 4.2Å
106G97Very high94.1Very high0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-56.2-40.8-179.800000112.9I102 V103 L109 S159I102-G106 PolarHBondContact O-N 3.32Å; V103-G106 PolarHBondContact O-N 3.46Å; G106-L109 PolarHBondContact O-N 3.38Å; G106-S159 WeakPolarHBondContact O-CB 3.43Å
107S96.8Very high93.5Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-63.2-41.4175-1670000111.9V103 G104 I105 V110 F244V103-S107 WeakPolarHBondContact O-CB 3.49Å; V103-S107 PolarHBondContact O-N 3.25Å; G104-S107 PolarHBondContact O-N 2.96Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.41Å; S107-V110 WeakPolarHBondContact O-CB 3.5Å; S107-V110 WeakPolarHBondContact O-CG2 3.29Å; S107-V110 PolarHBondContact O-N 3Å; S107-F244 WeakPolarHBondContact O-CB 3.39Å; S107-F244 PolarHBondContact OG-O 2.89Å
108I96.7Very high92.8Very high40 Ų4033.1 Ų33.121%0.20518%0.181CC..Hα-helixtrans-68.3-36.6176.8-65.2165.8000111.1G104 I105 V110 I111 F249 L252G104-I108 WeakPolarHBondContact O-CG1 3.36Å; G104-I108 PolarHBondContact O-N 3.31Å; G104-I108 VanDerWaalsContact O-N 3.15Å; I105-I108 PolarHBondContact O-N 2.78Å; I108-V110 PolarHBondContact O-N 3.4Å; I108-V110 VanDerWaalsContact O-N 3.08Å; I108-I111 WeakPolarHBondContact O-CB 3.36Å; I108-I111 WeakPolarHBondContact O-CG2 3.24Å; I108-I111 PolarHBondContact O-N 3.15Å; I108-F249 HydrophobicContact CD1-CD1 4.25Å; I108-F249 HydrophobicContact CD1-CD2 4.46Å; I108-F249 HydrophobicContact CD1-CE1 4.2Å; I108-F249 HydrophobicContact CD1-CE2 4.41Å; I108-F249 HydrophobicContact CD1-CG 4.37Å; I108-F249 HydrophobicContact CD1-CZ 4.28Å; I108-L252 HydrophobicContact CD1-CD1 3.81Å
109L95.3Very high92Very high44 Ų4432.6 Ų32.623%0.2318%0.183CC..Hα-helixtrans-58.7-23.5179.3-66.8177.6000113.2I105 G106 I111 I112 F162I105-L109 HydrophobicContact CG2-CD1 4.21Å; I105-L109 HydrophobicContact CG2-CG 4.23Å; I105-L109 WeakPolarHBondContact O-CG 3.03Å; I105-L109 PolarHBondContact O-N 3.5Å; G106-L109 PolarHBondContact O-N 3.38Å; L109-I111 PolarHBondContact O-N 2.78Å; L109-I111 VanDerWaalsContact O-N 3.13Å; L109-I112 HydrophobicContact CB-CD1 4.34Å; L109-I112 HydrophobicContact CD2-CD1 3.42Å; L109-I112 VanDerWaalsContact CD2-CD1 3.42Å; L109-I112 HydrophobicContact CG-CD1 4.47Å; L109-I112 WeakPolarHBondContact O-CB 3.15Å; L109-I112 WeakPolarHBondContact O-CG1 3.14Å; L109-I112 PolarHBondContact O-N 3.36Å; L109-F162 HydrophobicContact CD1-CD1 4.33Å; L109-F162 HydrophobicContact CD1-CD2 4.25Å; L109-F162 HydrophobicContact CD1-CE2 4.46Å; L109-F162 HydrophobicContact CD1-CG 4.18Å
110V92.9Very high91.3Very high0 Ų033.7 Ų33.70%019%0.186CC..THydrogen-bonded Turntrans-57.8-23.7175.3177.70000112.5S107 I108 P113 S159 W240 F244S107-V110 WeakPolarHBondContact O-CB 3.5Å; S107-V110 WeakPolarHBondContact O-CG2 3.29Å; S107-V110 PolarHBondContact O-N 3Å; I108-V110 PolarHBondContact O-N 3.4Å; I108-V110 VanDerWaalsContact O-N 3.08Å; V110-P113 WeakPolarHBondContact O-CD 3.3Å; V110-S159 WeakPolarHBondContact CG2-OG 3.32Å; V110-W240 HydrophobicContact CG1-CE3 4.41Å; V110-W240 HydrophobicContact CG1-CH2 4.15Å; V110-W240 HydrophobicContact CG1-CZ3 3.46Å; V110-W240 VanDerWaalsContact CG1-CZ3 3.46Å; V110-W240 WeakPolarHBondContact O-CH2 3.23Å; V110-F244 HydrophobicContact CB-CB 4.21Å; V110-F244 HydrophobicContact CB-CD1 4.39Å; V110-F244 HydrophobicContact CB-CD2 4.49Å; V110-F244 HydrophobicContact CB-CG 4.14Å; V110-F244 HydrophobicContact CG1-CB 4.35Å; V110-F244 HydrophobicContact CG1-CD1 4.28Å; V110-F244 HydrophobicContact CG1-CD2 3.76Å; V110-F244 HydrophobicContact CG1-CE1 4.5Å; V110-F244 HydrophobicContact CG1-CE2 4Å; V110-F244 HydrophobicContact CG1-CG 3.89Å; V110-F244 HydrophobicContact CG1-CZ 4.35Å; V110-F244 HydrophobicContact CG2-CD1 4.05Å; V110-F244 HydrophobicContact CG2-CE1 4.39Å; V110-F244 HydrophobicContact CG2-CG 4.31Å
111I92.9Very high90Very high28 Ų2837.1 Ų37.114%0.14421%0.21CC..THydrogen-bonded Turntrans-74.6-25.9177.8-153.2-172.3000113I108 L109 E114 Y115 W241 V245I108-I111 WeakPolarHBondContact O-CB 3.36Å; I108-I111 WeakPolarHBondContact O-CG2 3.24Å; I108-I111 PolarHBondContact O-N 3.15Å; L109-I111 PolarHBondContact O-N 2.78Å; L109-I111 VanDerWaalsContact O-N 3.13Å; I111-E114 WeakPolarHBondContact O-CB 3.37Å; I111-E114 PolarHBondContact O-N 3.06Å; I111-E114 VanDerWaalsContact O-N 3.07Å; I111-Y115 HydrophobicContact CD1-CD2 4.11Å; I111-Y115 HydrophobicContact CD1-CE2 3.35Å; I111-Y115 HydrophobicContact CG1-CD2 3.92Å; I111-Y115 HydrophobicContact CG1-CE2 3.58Å; I111-Y115 WeakPolarHBondContact O-CD2 3.31Å; I111-W241 HydrophobicContact CD1-CD2 4.18Å; I111-W241 HydrophobicContact CD1-CE3 3.51Å; I111-W241 HydrophobicContact CD1-CZ3 3.74Å; I111-W241 HydrophobicContact CG1-CB 4.16Å; I111-W241 HydrophobicContact CG1-CD2 3.96Å; I111-W241 HydrophobicContact CG1-CE3 3.7Å; I111-W241 HydrophobicContact CG1-CG 4.17Å; I111-W241 HydrophobicContact CG1-CZ3 4.42Å; I111-V245 HydrophobicContact CB-CG2 4.15Å; I111-V245 HydrophobicContact CD1-CG2 3.75Å; I111-V245 HydrophobicContact CG1-CG2 4.16Å
112I92.1Very high88.6Confident63 Ų6334.9 Ų34.932%0.32320%0.2SC..Hα-helixtrans-56.7-47.3-170.4-64.6174.4000111.6L109 E114 Y115 T116 L155L109-I112 HydrophobicContact CB-CD1 4.34Å; L109-I112 HydrophobicContact CD2-CD1 3.42Å; L109-I112 VanDerWaalsContact CD2-CD1 3.42Å; L109-I112 HydrophobicContact CG-CD1 4.47Å; L109-I112 WeakPolarHBondContact O-CB 3.15Å; L109-I112 WeakPolarHBondContact O-CG1 3.14Å; L109-I112 PolarHBondContact O-N 3.36Å; I112-E114 PolarHBondContact O-N 3.25Å; I112-E114 VanDerWaalsContact O-N 3.15Å; I112-Y115 PolarHBondContact O-N 2.78Å; I112-T116 HydrophobicContact CG2-CG2 3.87Å; I112-T116 PolarHBondContact O-N 3.37Å; I112-T116 PolarHBondContact O-OG1 2.88Å; I112-L155 HydrophobicContact CG2-CD1 4.15Å
113P89.8Confident86.6Confident0 Ų032.7 Ų32.70%019%0.192CC..Hα-helixtrans-53.2-35.7177.9-29.336.9000114.7F58 V110 Y115 T116 A117 E152 L155 L156F58-P113 HydrophobicContact CE1-CB 3.73Å; F58-P113 WeakPolarHBondContact CE1-O 3.37Å; F58-P113 HydrophobicContact CE2-CB 4.15Å; F58-P113 HydrophobicContact CZ-CB 3.4Å; V110-P113 WeakPolarHBondContact O-CD 3.3Å; P113-Y115 VanDerWaalsContact C-N 3.31Å; P113-Y115 PolarHBondContact O-N 2.79Å; P113-T116 VanDerWaalsContact CA-OG1 3.28Å; P113-T116 WeakPolarHBondContact CA-OG1 3.44Å; P113-T116 PolarHBondContact O-OG1 2.9Å; P113-A117 WeakPolarHBondContact O-CB 3.43Å; P113-A117 PolarHBondContact O-N 2.75Å; P113-E152 WeakPolarHBondContact CA-OE2 3.28Å; P113-E152 HydrophobicContact CB-CB 4.38Å; P113-E152 WeakPolarHBondContact CB-OE2 3.39Å; P113-L155 HydrophobicContact CG-CB 3.73Å; P113-L155 HydrophobicContact CG-CD1 4.45Å; P113-L156 HydrophobicContact CB-CG 4.48Å; P113-L156 HydrophobicContact CG-CD2 3.95Å; P113-L156 HydrophobicContact CG-CG 3.96Å
114E87.4Confident84.4Confident1 Ų138 Ų381%0.00522%0.217CC..Hα-helixtrans-66.5-35179.3-17557.8-134.200112R57 I111 I112 W240R57-E114 WeakPolarHBondContact CG-OE2 3.33Å; R57-E114 IonicContact CZ-OE1 3.4Å; R57-E114 VanDerWaalsContact NE-CD 3.34Å; R57-E114 IonicContact NE-OE1 2.77Å; R57-E114 PolarHBondContact NE-OE1 3.27Å; R57-E114 IonicContact NE-OE2 2.58Å; R57-E114 PolarHBondContact NE-OE2 3.29Å; R57-E114 VanDerWaalsContact NE-OE2 3.15Å; R57-E114 IonicContact NH2-OE1 3.84Å; R57-E114 PolarHBondContact NH2-OE1 3.41Å; I111-E114 WeakPolarHBondContact O-CB 3.37Å; I111-E114 PolarHBondContact O-N 3.06Å; I111-E114 VanDerWaalsContact O-N 3.07Å; I112-E114 PolarHBondContact O-N 3.25Å; I112-E114 VanDerWaalsContact O-N 3.15Å; E114-W240 HydrophobicContact CB-CZ2 4.12Å; E114-W240 PolarHBondContact OE2-NE1 3.34Å
115Y86.4Confident82.1Confident102 Ų10242 Ų4240%0.424%0.241SC..Hα-helixtrans-84.6-32.4179.4-77.1-99.2000112.5I111 I112 P113 W219 R220I111-Y115 HydrophobicContact CD1-CD2 4.11Å; I111-Y115 HydrophobicContact CD1-CE2 3.35Å; I111-Y115 HydrophobicContact CG1-CD2 3.92Å; I111-Y115 HydrophobicContact CG1-CE2 3.58Å; I111-Y115 WeakPolarHBondContact O-CD2 3.31Å; I112-Y115 PolarHBondContact O-N 2.78Å; P113-Y115 VanDerWaalsContact C-N 3.31Å; P113-Y115 PolarHBondContact O-N 2.79Å; Y115-W219 HydrophobicContact CD1-CZ2 4.01Å; Y115-W219 AromaticContact CD1-NE1 3.84Å; Y115-W219 AromaticContact CE1-CE2 3.82Å; Y115-W219 AromaticContact CE1-CZ2 3.93Å; Y115-W219 HydrophobicContact CE1-CZ2 3.93Å; Y115-W219 AromaticContact CE1-NE1 3.59Å; Y115-W219 AromaticContact CZ-NE1 3.92Å; Y115-R220 PolarHBondContact O-NH2 3.26Å
116T86.8Confident79.7Confident63 Ų6347.6 Ų47.639%0.38726%0.263SS..Hα-helixtrans-79-28.3177.847.30000112.5I112 P113 E152I112-T116 HydrophobicContact CG2-CG2 3.87Å; I112-T116 PolarHBondContact O-N 3.37Å; I112-T116 PolarHBondContact O-OG1 2.88Å; P113-T116 VanDerWaalsContact CA-OG1 3.28Å; P113-T116 WeakPolarHBondContact CA-OG1 3.44Å; P113-T116 PolarHBondContact O-OG1 2.9Å; T116-E152 PolarHBondContact OG1-OE1 3.49Å; T116-E152 PolarHBondContact OG1-OE2 3.33Å
117A80.8Confident77.7Confident12 Ų1252.1 Ų52.110%0.09928%0.283CS..SBendtrans-65.9147.8169.500000111.1F58 P113 R220F58-A117 HydrophobicContact CD1-CB 4.41Å; F58-A117 HydrophobicContact CE1-CB 3.84Å; P113-A117 WeakPolarHBondContact O-CB 3.43Å; P113-A117 PolarHBondContact O-N 2.75Å; A117-R220 PolarHBondContact O-NH1 3.34Å
118G79.8Confident76.4Confident44 Ų4452.9 Ų52.945%0.45429%0.286SS..  trans-65177.4172.800000113.4R57 Y120R57-G118 PolarHBondContact NH1-O 3.3Å; R57-G118 PolarHBondContact NH2-O 3.49Å; G118-Y120 PolarHBondContact O-N 2.99Å
119P79.2Confident75.4Confident84 Ų8451.6 Ų51.655%0.54528%0.281SS..  trans-56.8138.5174.725.8-33.5000110.4S121 T221P119-S121 PolarHBondContact O-N 3.31Å; P119-T221 HydrophobicContact CB-CG2 4.01Å
120Y80.8Confident74.6Confident27 Ų2750.6 Ų50.611%0.10628%0.277CS..  trans-65.9131.2174.4-178.1-119.8000109.1G118 V122 W216 D218 M226 R235 I237G118-Y120 PolarHBondContact O-N 2.99Å; Y120-V122 HydrophobicContact CD1-CG1 4.27Å; Y120-V122 HydrophobicContact CE1-CG1 3.41Å; Y120-V122 VanDerWaalsContact CE1-CG1 3.41Å; Y120-W216 AromaticContact CD1-CH2 3.79Å; Y120-W216 HydrophobicContact CD1-CH2 3.79Å; Y120-W216 AromaticContact CD1-CZ2 3.91Å; Y120-W216 HydrophobicContact CD1-CZ2 3.91Å; Y120-W216 AromaticContact CE1-CH2 3.88Å; Y120-W216 HydrophobicContact CE1-CH2 3.88Å; Y120-W216 HydrophobicContact CE1-CZ2 4.46Å; Y120-D218 VanDerWaalsContact CB-OD2 3.23Å; Y120-D218 WeakPolarHBondContact CB-OD2 3.32Å; Y120-D218 PolarHBondContact N-OD2 2.94Å; Y120-M226 HydrophobicContact CD1-SD 4.17Å; Y120-R235 PolarHBondContact OH-O 2.87Å; Y120-I237 HydrophobicContact CD1-CD1 4Å; Y120-I237 HydrophobicContact CD2-CD1 3.58Å; Y120-I237 HydrophobicContact CE1-CD1 3.67Å; Y120-I237 HydrophobicContact CE1-CG1 4.05Å; Y120-I237 HydrophobicContact CE2-CD1 3.26Å; Y120-I237 HydrophobicContact CE2-CG1 4.33Å; Y120-I237 HydrophobicContact CG-CD1 3.94Å
121S70.4Confident73.8Confident73 Ų7354 Ų5451%0.5130%0.297SS..  trans-127131.517853.70000110P119P119-S121 PolarHBondContact O-N 3.31Å
122V66.8Low72.9Confident19 Ų1957.8 Ų57.812%0.11532%0.322CS..SBendtrans-108.871.5173.6-74.50000109.1Y120 M226 I228 R235Y120-V122 HydrophobicContact CD1-CG1 4.27Å; Y120-V122 HydrophobicContact CE1-CG1 3.41Å; Y120-V122 VanDerWaalsContact CE1-CG1 3.41Å; V122-M226 HydrophobicContact CG2-CB 3.5Å; V122-M226 VanDerWaalsContact CG2-CB 3.5Å; V122-M226 HydrophobicContact CG2-CG 3.52Å; V122-M226 HydrophobicContact CG2-SD 3.73Å; V122-I228 HydrophobicContact CG2-CD1 4.42Å; V122-R235 HydrophobicContact CG1-CB 3.97Å; V122-R235 HydrophobicContact CG1-CG 4.33Å
123G55.6Low71.6Confident13 Ų1358.4 Ų58.413%0.13434%0.344CS..  trans71.1152.3-174.900000113.4
124E51.5Low70.3Confident112 Ų11259.6 Ų59.652%0.52336%0.356SS..  trans-80.5115.2166.2-70.8-178.7141.200107.8K126 K127 K137E124-K126 PolarHBondContact O-N 2.94Å; E124-K127 PolarHBondContact O-N 3.49Å; E124-K127 IonicContact OE2-NZ 3.46Å; E124-K127 PolarHBondContact OE2-NZ 3.38Å; E124-K137 IonicContact OE2-NZ 3.34Å
125V47.5Very low69Low84 Ų8465.4 Ų65.451%0.50939%0.394SS..THydrogen-bonded Turntrans-65.5-8.6-171.285.70000114.9K127 F460V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.38Å; V125-F460 HydrophobicContact CB-CD2 4.28Å; V125-F460 HydrophobicContact CB-CE2 4.28Å; V125-F460 HydrophobicContact CG1-CD2 3.74Å; V125-F460 HydrophobicContact CG1-CE2 3.88Å; V125-F460 HydrophobicContact CG2-CD2 3.81Å; V125-F460 HydrophobicContact CG2-CE2 3.47Å; V125-F460 VanDerWaalsContact CG2-CE2 3.47Å
126K48.5Very low67.6Low191 Ų19165.9 Ų65.983%0.8340%0.404SS*.THydrogen-bonded Turntrans-77.9-4.7169.2-86.6-174172.8-177.60114.1E124E124-K126 PolarHBondContact O-N 2.94Å
127K54.8Low66.2Low95 Ų9568.1 Ų68.141%0.41341%0.408SS..SBendtrans-126.8-1-176.6-68.6179.8-176.7153.50114.7E124 V125 V129E124-K127 PolarHBondContact O-N 3.49Å; E124-K127 IonicContact OE2-NZ 3.46Å; E124-K127 PolarHBondContact OE2-NZ 3.38Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.38Å; K127-V129 VanDerWaalsContact C-N 3.26Å; K127-V129 PolarHBondContact O-N 3.04Å
128D67.9Low65Low15 Ų1573.1 Ų73.18%0.0844%0.437CS..SBendtrans-87.63.9-174.6-141.618.8000113.4N433 P447 C448D128-N433 VanDerWaalsContact OD2-CB 3.28Å; D128-N433 WeakPolarHBondContact OD2-CB 3.32Å; D128-N433 PolarHBondContact OD2-ND2 3.19Å; D128-P447 CarbonylContact O-C 3.52Å; D128-P447 WeakPolarHBondContact O-CB 3.33Å; D128-P447 WeakPolarHBondContact O-CD 3.31Å; D128-C448 WeakPolarHBondContact O-CB 3.17Å; D128-C448 PolarHBondContact O-N 3.5Å
129V75.7Confident63.9Low14 Ų1474.1 Ų74.19%0.08544%0.436CS..SBendtrans-110.9159.3172.1-69.80000110K127 V131 C452 D454K127-V129 VanDerWaalsContact C-N 3.26Å; K127-V129 PolarHBondContact O-N 3.04Å; V129-V131 PolarHBondContact O-N 3.22Å; V129-C452 WeakPolarHBondContact CB-O 3.48Å; V129-D454 HydrophobicContact CG2-CB 4.03Å
130C79Confident62.5Low23 Ų2375.4 Ų75.416%0.15545%0.447CS..BIsolated β-bridgetrans-66.6117.5178.8177.30000110.7C426 C452C130-C426 HydrophobicContact CB-CB 3.77Å; C130-C426 WeakPolarHBondContact CB-SG 3.05Å; C130-C426 WeakPolarHBondContact SG-CB 3.38Å; C130-C426 CovalentContact SG-SG 2.02Å; C130-C426 PolarHBondContact SG-SG 3.26Å; C130-C452 WeakPolarHBondContact CB-O 3.39Å; C130-C452 PolarHBondContact N-O 2.81Å
131V76.6Confident60.8Low70 Ų7084.1 Ų84.142%0.42449%0.489SS..  trans-116.9125.4172-1750000108.3V129V129-V131 PolarHBondContact O-N 3.22Å
132T74.6Confident59.7Low109 Ų10982.6 Ų82.667%0.66948%0.484SS*.THydrogen-bonded Turntrans-85.7127.7176.249.80000110N425T132-N425 HydrophobicContact CG2-CB 4.39Å
133G64.4Low58.9Low75 Ų7587.2 Ų87.277%0.77352%0.518SS*.THydrogen-bonded Turntrans77.924.5175.200000116.3
134G62.8Low58.6Low25 Ų2590.6 Ų90.626%0.25854%0.539SS..PPolyproline II helixtrans-71.4161.1169.800000112.3H427G134-H427 PolarHBondContact O-CD2 2.94Å
135P59.3Low58.6Low124 Ų12489.9 Ų89.981%0.80554%0.539SS*.PPolyproline II helixtrans-68.8132.6170.127.4-31.7000110.2K137P135-K137 PolarHBondContact O-N 3.34Å
136D57.5Low58.9Low112 Ų11289 Ų8960%0.59953%0.534SS*.PPolyproline II helixtrans-56.4124.3168.1-75.9-34.2000109.2V138 H427D136-V138 HydrophobicContact CB-CG2 4.38Å; D136-V138 PolarHBondContact O-N 3.07Å; D136-H427 IonicContact OD1-CD2 3.49Å; D136-H427 PolarHBondContact OD1-CD2 3.13Å; D136-H427 VanDerWaalsContact OD1-CD2 3.28Å; D136-H427 IonicContact OD1-CG 3.73Å; D136-H427 IonicContact OD1-NE2 3.63Å
137K56.7Low59.3Low110 Ų11087 Ų8748%0.47853%0.526SS..  trans-70.887.2167.4-85.8-173.4-177.8174.10108.2E124 P135 C139 D429E124-K137 IonicContact OE2-NZ 3.34Å; P135-K137 PolarHBondContact O-N 3.34Å; K137-C139 PolarHBondContact O-N 2.58Å; K137-D429 IonicContact NZ-OD2 3.44Å; K137-D429 PolarHBondContact NZ-OD2 2.97Å
138V55.6Low59.6Low117 Ų11784.4 Ų84.471%0.70952%0.519SS*.  trans-74.5119.5165-176.80000107.4D136 S140D136-V138 HydrophobicContact CB-CG2 4.38Å; D136-V138 PolarHBondContact O-N 3.07Å; V138-S140 PolarHBondContact O-N 3.37Å
139C56.5Low59.3Low64 Ų6484.8 Ų84.843%0.43252%0.524SS..  trans-54111.7169.7-72.90000108.9K137 E141 C561K137-C139 PolarHBondContact O-N 2.58Å; C139-E141 PolarHBondContact O-N 3.47Å; C139-C561 VanDerWaalsContact CA-SG 3.54Å; C139-C561 HydrophobicContact CB-CB 3.62Å; C139-C561 WeakPolarHBondContact CB-SG 3.25Å; C139-C561 WeakPolarHBondContact SG-CA 3.31Å; C139-C561 WeakPolarHBondContact SG-CB 3.5Å; C139-C561 CovalentContact SG-SG 2.03Å; C139-C561 PolarHBondContact SG-SG 3.09Å
140S50.9Low59.3Low112 Ų11289.5 Ų89.578%0.78355%0.545SS*.  trans-68.5122169.8-61.60000107.4V138 G142V138-S140 PolarHBondContact O-N 3.37Å; S140-G142 PolarHBondContact O-N 3.1Å
141E44.4Very low59.6Low210 Ų21092.8 Ų92.898%0.98155%0.554SS**  trans-64.479.5174.2-72.6-174.9153.400109.7C139C139-E141 PolarHBondContact O-N 3.47Å
142G47.2Very low60.1Low40 Ų4089.8 Ų89.841%0.41254%0.535SS..  trans-113113.8179.600000110.4S140 S144S140-G142 PolarHBondContact O-N 3.1Å; G142-S144 PolarHBondContact O-N 2.8Å
143S49Very low60.9Low117 Ų11785.5 Ų85.582%0.81851%0.509SS*.THydrogen-bonded Turntrans-60.51.3-175.548.90000116.9
144S49.8Very low62.2Low84 Ų8487.3 Ų87.359%0.58750%0.5SS*.Hα-helixtrans-83.2-35.1-177.151.50000114.4G142G142-S144 PolarHBondContact O-N 2.8Å
145D52Low63.6Low97 Ų9788 Ų8852%0.51950%0.497SS..Hα-helixtrans-83.6-33.8-170.4-72.8-8.4000112.2F147 S148 A149 V562D145-F147 PolarHBondContact O-N 3.3Å; D145-S148 WeakPolarHBondContact O-CB 3.14Å; D145-S148 PolarHBondContact O-N 3.31Å; D145-A149 PolarHBondContact O-N 3.01Å; D145-V562 HydrophobicContact CB-CB 4.19Å; D145-V562 HydrophobicContact CB-CG1 4.28Å; D145-V562 HydrophobicContact CB-CG2 3.2Å; D145-V562 WeakPolarHBondContact O-CG1 3.35Å
146T54.3Low65.3Low65 Ų6582.1 Ų82.140%0.39946%0.459SS..Hα-helixtrans-60.4-35.4177-44.50000112.5S148 H150T146-S148 VanDerWaalsContact C-N 3.33Å; T146-H150 PolarHBondContact O-N 3.45Å; T146-H150 PolarHBondContact O-ND1 3.01Å
147F56.5Low67.1Low150 Ų15078.9 Ų78.966%0.65844%0.442SS*.Hα-helixtrans-65.8-35.5174.2-172.6-101.5000112D145 R151D145-F147 PolarHBondContact O-N 3.3Å; F147-R151 VanDerWaalsContact O-CB 3.26Å; F147-R151 WeakPolarHBondContact O-CB 3.24Å; F147-R151 PolarHBondContact O-N 3.34Å
148S60.8Low69Low40 Ų4077.5 Ų77.528%0.2844%0.439SS..Hα-helixtrans-69.4-42.3-177.9-163.20000112.8D145 T146 R151 E152D145-S148 WeakPolarHBondContact O-CB 3.14Å; D145-S148 PolarHBondContact O-N 3.31Å; T146-S148 VanDerWaalsContact C-N 3.33Å; S148-R151 WeakPolarHBondContact O-CB 3.26Å; S148-R151 PolarHBondContact O-N 3.25Å; S148-R151 PolarHBondContact OG-NH2 2.86Å; S148-R151 VanDerWaalsContact OG-NH2 3.11Å; S148-E152 PolarHBondContact O-N 3.49Å
149A61.7Low70.9Confident22 Ų2272 Ų7218%0.18241%0.405CS..Hα-helixtrans-66.3-39.9178.600000112.3D145 R151 L153 V562D145-A149 PolarHBondContact O-N 3.01Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-L153 PolarHBondContact O-N 2.99Å; A149-V562 HydrophobicContact CB-CG1 3.86Å
150H75.1Confident72.8Confident113 Ų11369 Ų6952%0.52339%0.385SS..Hα-helixtrans-70-31.2175.5-70.379.3000112.4T146 L154T146-H150 PolarHBondContact O-N 3.45Å; T146-H150 PolarHBondContact O-ND1 3.01Å; H150-L154 WeakPolarHBondContact O-CB 3.45Å; H150-L154 PolarHBondContact O-N 3.32Å
151R85.4Confident75Confident93 Ų9364 Ų6435%0.35135%0.35SS..Hα-helixtrans-62.6-47.9176.5-177-175.670.2-146.3-0.7112F147 S148 A149 L153 L154 L155F147-R151 VanDerWaalsContact O-CB 3.26Å; F147-R151 WeakPolarHBondContact O-CB 3.24Å; F147-R151 PolarHBondContact O-N 3.34Å; S148-R151 WeakPolarHBondContact O-CB 3.26Å; S148-R151 PolarHBondContact O-N 3.25Å; S148-R151 PolarHBondContact OG-NH2 2.86Å; S148-R151 VanDerWaalsContact OG-NH2 3.11Å; A149-R151 VanDerWaalsContact C-N 3.34Å; R151-L153 PolarHBondContact O-N 2.71Å; R151-L154 PolarHBondContact O-N 2.94Å; R151-L155 HydrophobicContact CG-CD1 4.3Å; R151-L155 WeakPolarHBondContact O-CG 3.39Å; R151-L155 PolarHBondContact O-N 2.72Å
152E87.9Confident77.5Confident6 Ų657.6 Ų57.63%0.02832%0.32CS..Hα-helixtrans-66-40.2-178-54.5-45.9149.400111.7F58 P113 T116 S148 L154 L155 L156F58-E152 HydrophobicContact CD1-CB 3.67Å; F58-E152 HydrophobicContact CD1-CG 3.85Å; F58-E152 HydrophobicContact CE1-CB 4.01Å; F58-E152 HydrophobicContact CE1-CG 4.06Å; F58-E152 HydrophobicContact CG-CB 4.32Å; P113-E152 WeakPolarHBondContact CA-OE2 3.28Å; P113-E152 HydrophobicContact CB-CB 4.38Å; P113-E152 WeakPolarHBondContact CB-OE2 3.39Å; T116-E152 PolarHBondContact OG1-OE1 3.49Å; T116-E152 PolarHBondContact OG1-OE2 3.33Å; S148-E152 PolarHBondContact O-N 3.49Å; E152-L154 PolarHBondContact O-N 3Å; E152-L155 PolarHBondContact O-N 3.48Å; E152-L156 WeakPolarHBondContact O-CG 3.32Å; E152-L156 PolarHBondContact O-N 3.31Å
153L90Very high79.9Confident20 Ų2055.7 Ų55.711%0.10530%0.3CS..Hα-helixtrans-59.5-46.8171.6179.961000111.1L60 Q64 A149 R151 L155 L156 L157L60-L153 HydrophobicContact CD1-CD1 4.16Å; L60-L153 HydrophobicContact CD2-CB 4.33Å; Q64-L153 HydrophobicContact CB-CD1 4.42Å; Q64-L153 HydrophobicContact CB-CD2 4.22Å; Q64-L153 HydrophobicContact CG-CD2 3.95Å; A149-L153 PolarHBondContact O-N 2.99Å; R151-L153 PolarHBondContact O-N 2.71Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.39Å; L153-L156 WeakPolarHBondContact O-CB 3.39Å; L153-L156 PolarHBondContact O-N 3.44Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L153-L157 HydrophobicContact CD1-CD2 4.24Å; L153-L157 HydrophobicContact CD1-CG 4.36Å; L153-L157 HydrophobicContact CG-CD1 4.48Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.08Å
154L92Very high82.1Confident112 Ų11250.1 Ų50.159%0.58626%0.261SS*.Hα-helixtrans-61.8-37.7-180-173.5138.1000112.7H150 R151 E152 L157 L158H150-L154 WeakPolarHBondContact O-CB 3.45Å; H150-L154 PolarHBondContact O-N 3.32Å; R151-L154 PolarHBondContact O-N 2.94Å; E152-L154 PolarHBondContact O-N 3Å; L154-L157 PolarHBondContact O-N 2.98Å; L154-L158 WeakPolarHBondContact O-CB 3.36Å; L154-L158 PolarHBondContact O-N 3.35Å
155L93.5Very high84.3Confident40 Ų4048.6 Ų48.621%0.20925%0.246CC..Hα-helixtrans-64.9-40.8173.5-72171.6000111.9I112 P113 R151 E152 L153 L158 S159I112-L155 HydrophobicContact CG2-CD1 4.15Å; P113-L155 HydrophobicContact CG-CB 3.73Å; P113-L155 HydrophobicContact CG-CD1 4.45Å; R151-L155 HydrophobicContact CG-CD1 4.3Å; R151-L155 WeakPolarHBondContact O-CG 3.39Å; R151-L155 PolarHBondContact O-N 2.72Å; E152-L155 PolarHBondContact O-N 3.48Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.39Å; L155-L158 PolarHBondContact O-N 2.92Å; L155-S159 PolarHBondContact O-N 3.3Å
156L94.1Very high86.4Confident0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-62-44.6172.6-70.6170.8000111.4I54 F58 L60 F68 P113 E152 L153 L158 S159 Q160 W240I54-L156 HydrophobicContact CG2-CD1 3.69Å; F58-L156 HydrophobicContact CD2-CD1 4.18Å; F58-L156 HydrophobicContact CE2-CD1 4.35Å; L60-L156 HydrophobicContact CD1-CD1 4.28Å; F68-L156 HydrophobicContact CD2-CB 3.71Å; F68-L156 HydrophobicContact CE2-CB 3.79Å; F68-L156 HydrophobicContact CE2-CD2 4.08Å; F68-L156 HydrophobicContact CE2-CG 4.47Å; F68-L156 HydrophobicContact CZ-CD2 4.39Å; P113-L156 HydrophobicContact CB-CG 4.48Å; P113-L156 HydrophobicContact CG-CD2 3.95Å; P113-L156 HydrophobicContact CG-CG 3.96Å; E152-L156 WeakPolarHBondContact O-CG 3.32Å; E152-L156 PolarHBondContact O-N 3.31Å; L153-L156 WeakPolarHBondContact O-CB 3.39Å; L153-L156 PolarHBondContact O-N 3.44Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.45Å; L156-S159 PolarHBondContact O-N 2.97Å; L156-S159 PolarHBondContact O-OG 2.85Å; L156-Q160 PolarHBondContact O-N 3.22Å; L156-W240 HydrophobicContact CD2-CH2 4.37Å
157L95.8Very high88.3Confident44 Ų4440.9 Ų40.923%0.2320%0.202CC..Hα-helixtrans-63.1-40.2176.4-59.7-172.1000111.7I67 F68 T71 L153 L154 S159 Q160 A161I67-L157 HydrophobicContact CG2-CD1 4.48Å; I67-L157 HydrophobicContact CG2-CD2 4.14Å; F68-L157 HydrophobicContact CB-CD2 4.14Å; T71-L157 HydrophobicContact CG2-CB 4.46Å; L153-L157 HydrophobicContact CD1-CD2 4.24Å; L153-L157 HydrophobicContact CD1-CG 4.36Å; L153-L157 HydrophobicContact CG-CD1 4.48Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 VanDerWaalsContact O-CG 3.32Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.08Å; L154-L157 PolarHBondContact O-N 2.98Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 2.75Å; L157-Q160 PolarHBondContact O-N 2.68Å; L157-A161 PolarHBondContact O-N 3.47Å
158L95.9Very high90.1Very high82 Ų8233.9 Ų33.943%0.42917%0.172SC..Hα-helixtrans-62.2-42.3177-173.965000111.2L154 L155 L156 Q160 A161 F162L154-L158 WeakPolarHBondContact O-CB 3.36Å; L154-L158 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 2.92Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.45Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 3.16Å; L158-A161 WeakPolarHBondContact O-CB 3.26Å; L158-A161 PolarHBondContact O-N 2.99Å; L158-F162 HydrophobicContact CD1-CD2 4.26Å; L158-F162 HydrophobicContact CD1-CE2 3.88Å; L158-F162 HydrophobicContact CG-CD2 4.32Å; L158-F162 HydrophobicContact CG-CE2 4.11Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.35Å; L158-F162 PolarHBondContact O-N 3.41Å; L158-F162 VanDerWaalsContact O-N 3.13Å
159S96.3Very high91.6Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-59-44.117675.50000112G106 V110 L155 L156 L157 A161 F162 V163G106-S159 WeakPolarHBondContact O-CB 3.43Å; V110-S159 WeakPolarHBondContact CG2-OG 3.32Å; L155-S159 PolarHBondContact O-N 3.3Å; L156-S159 PolarHBondContact O-N 2.97Å; L156-S159 PolarHBondContact O-OG 2.85Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 2.75Å; S159-A161 VanDerWaalsContact C-N 3.34Å; S159-A161 PolarHBondContact O-N 3.18Å; S159-F162 PolarHBondContact O-N 3.16Å; S159-V163 WeakPolarHBondContact O-CG2 3.3Å; S159-V163 PolarHBondContact O-N 3.24Å; S159-V163 VanDerWaalsContact O-N 3.09Å
160Q96.4Very high93.1Very high2 Ų231.4 Ų31.41%0.00915%0.153CC..Hα-helixtrans-69-31.3177.7-67.8-61.6-26.600112.7V47 F68 T71 L156 L157 L158 V163 G164V47-Q160 VanDerWaalsContact CG2-NE2 3.32Å; F68-Q160 HydrophobicContact CD2-CG 3.54Å; F68-Q160 HydrophobicContact CE2-CG 3.29Å; F68-Q160 HydrophobicContact CG-CG 4.47Å; F68-Q160 HydrophobicContact CZ-CG 4.05Å; F68-Q160 VanDerWaalsContact CZ-NE2 3.35Å; T71-Q160 HydrophobicContact CG2-CB 4.04Å; L156-Q160 PolarHBondContact O-N 3.22Å; L157-Q160 PolarHBondContact O-N 2.68Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 3.16Å; Q160-V163 PolarHBondContact O-N 3.43Å; Q160-G164 PolarHBondContact O-N 3.17Å
161A96.8Very high93.6Very high6 Ų628.1 Ų28.15%0.0514%0.137CC..Hα-helixtrans-61.1-46.2172.700000111.4F75 L157 L158 S159 G164 I165F75-A161 HydrophobicContact CD1-CB 4.17Å; F75-A161 VanDerWaalsContact CD2-CA 3.48Å; F75-A161 HydrophobicContact CD2-CB 3.47Å; F75-A161 VanDerWaalsContact CD2-CB 3.47Å; F75-A161 HydrophobicContact CE1-CB 4.04Å; F75-A161 HydrophobicContact CE2-CB 3.31Å; F75-A161 HydrophobicContact CG-CB 3.91Å; F75-A161 HydrophobicContact CZ-CB 3.62Å; L157-A161 PolarHBondContact O-N 3.47Å; L158-A161 WeakPolarHBondContact O-CB 3.26Å; L158-A161 PolarHBondContact O-N 2.99Å; S159-A161 VanDerWaalsContact C-N 3.34Å; S159-A161 PolarHBondContact O-N 3.18Å; A161-G164 PolarHBondContact O-N 2.88Å; A161-I165 WeakPolarHBondContact O-CB 3.32Å; A161-I165 VanDerWaalsContact O-CG1 3.25Å; A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 2.91Å
162F96.9Very high93.6Very high76 Ų7625.6 Ų25.633%0.33313%0.132SC..Hα-helixtrans-61.3-46.8175.6-85.5-111.6000111.3I102 I105 L109 L158 S159 G164 I165 G166I102-F162 HydrophobicContact CG2-CB 4.17Å; I102-F162 HydrophobicContact CG2-CD1 3.85Å; I102-F162 HydrophobicContact CG2-CG 4.38Å; I102-F162 VanDerWaalsContact CG2-O 3.28Å; I102-F162 WeakPolarHBondContact CG2-O 3.47Å; I105-F162 HydrophobicContact CG2-CD1 4.42Å; L109-F162 HydrophobicContact CD1-CD1 4.33Å; L109-F162 HydrophobicContact CD1-CD2 4.25Å; L109-F162 HydrophobicContact CD1-CE2 4.46Å; L109-F162 HydrophobicContact CD1-CG 4.18Å; L158-F162 HydrophobicContact CD1-CD2 4.26Å; L158-F162 HydrophobicContact CD1-CE2 3.88Å; L158-F162 HydrophobicContact CG-CD2 4.32Å; L158-F162 HydrophobicContact CG-CE2 4.11Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.35Å; L158-F162 PolarHBondContact O-N 3.41Å; L158-F162 VanDerWaalsContact O-N 3.13Å; S159-F162 PolarHBondContact O-N 3.16Å; F162-G164 VanDerWaalsContact C-N 3.33Å; F162-G164 PolarHBondContact O-N 3.4Å; F162-I165 PolarHBondContact O-N 3.08Å; F162-G166 PolarHBondContact O-N 3.05Å
163V97.3Very high93.7Very high1 Ų125.6 Ų25.61%0.00613%0.132CC..Hα-helixtrans-60.5-42.4177.5177.70000111.4I42 V43 Y72 V103 S159 Q160 G166 A167I42-V163 HydrophobicContact CG2-CG1 4.31Å; V43-V163 HydrophobicContact CG2-CG1 3.63Å; Y72-V163 HydrophobicContact CD2-CB 4.41Å; Y72-V163 HydrophobicContact CD2-CG1 3.86Å; Y72-V163 HydrophobicContact CE2-CG1 4.03Å; V103-V163 HydrophobicContact CG1-CG1 4.34Å; S159-V163 WeakPolarHBondContact O-CG2 3.3Å; S159-V163 PolarHBondContact O-N 3.24Å; S159-V163 VanDerWaalsContact O-N 3.09Å; Q160-V163 PolarHBondContact O-N 3.43Å; V163-G166 PolarHBondContact O-N 3.49Å; V163-A167 WeakPolarHBondContact O-CB 3.38Å; V163-A167 PolarHBondContact O-N 3.32Å
164G95.8Very high93.6Very high0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-63.9-47.3177.500000112.9Y72 V76 Q160 A161 F162 G166 S168Y72-G164 VanDerWaalsContact CD2-CA 3.4Å; V76-G164 VanDerWaalsContact CG2-O 3.29Å; V76-G164 WeakPolarHBondContact CG2-O 3.45Å; Q160-G164 PolarHBondContact O-N 3.17Å; A161-G164 PolarHBondContact O-N 2.88Å; F162-G164 VanDerWaalsContact C-N 3.33Å; F162-G164 PolarHBondContact O-N 3.4Å; G164-G166 PolarHBondContact O-N 3.08Å; G164-S168 PolarHBondContact O-N 3.11Å; G164-S168 PolarHBondContact O-OG 2.85Å
165I96.2Very high93.3Very high51 Ų5121.9 Ų21.926%0.26211%0.112SC..Hα-helixtrans-60.5-47.3176.8-68.5170000110.7F75 M79 A161 F162F75-I165 HydrophobicContact CB-CG1 4.18Å; F75-I165 HydrophobicContact CD1-CD1 3.99Å; F75-I165 HydrophobicContact CD1-CG1 4Å; F75-I165 HydrophobicContact CE1-CD1 4.49Å; F75-I165 HydrophobicContact CG-CG1 4.43Å; M79-I165 HydrophobicContact CE-CB 4.24Å; M79-I165 HydrophobicContact CE-CD1 3.9Å; M79-I165 HydrophobicContact CE-CG1 3.66Å; M79-I165 HydrophobicContact CE-CG2 3.7Å; M79-I165 HydrophobicContact CG-CB 4.26Å; M79-I165 HydrophobicContact CG-CG1 4Å; M79-I165 HydrophobicContact CG-CG2 4.21Å; M79-I165 HydrophobicContact SD-CG2 4.32Å; A161-I165 WeakPolarHBondContact O-CB 3.32Å; A161-I165 VanDerWaalsContact O-CG1 3.25Å; A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 2.91Å; F162-I165 PolarHBondContact O-N 3.08Å
166G95.9Very high92.9Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-69.7-34.3-176.600000114.5G99 F162 V163 G164 S168 P169G99-G166 CarbonylContact C-O 3.48Å; G99-G166 WeakPolarHBondContact CA-O 3.07Å; G99-G166 CarbonylContact O-C 3.48Å; G99-G166 WeakPolarHBondContact O-CA 3.15Å; F162-G166 PolarHBondContact O-N 3.05Å; V163-G166 PolarHBondContact O-N 3.49Å; G164-G166 PolarHBondContact O-N 3.08Å; G166-S168 VanDerWaalsContact C-N 3.34Å; G166-P169 VanDerWaalsContact O-CD 3.3Å; G166-P169 WeakPolarHBondContact O-CD 3.23Å
167A94.8Very high92.5Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-76.8-21.1-17800000113.2Q39 Y72 V103 V163 L170Q39-A167 HydrophobicContact CG-CB 3.79Å; Y72-A167 HydrophobicContact CE2-CB 3.72Å; V103-A167 HydrophobicContact CG2-CB 4.04Å; V103-A167 VanDerWaalsContact CG2-N 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.38Å; V163-A167 PolarHBondContact O-N 3.32Å; A167-L170 VanDerWaalsContact O-CB 3.29Å; A167-L170 WeakPolarHBondContact O-CB 3.48Å; A167-L170 PolarHBondContact O-N 2.92Å; A167-L170 VanDerWaalsContact O-N 3.12Å
168S92.8Very high92.1Very high3 Ų320.2 Ų20.22%0.02111%0.106CC..Hα-helixtrans-58.2-45.6-173.2-60.70000114.4V76 M79 G164 G166 L170 T172V76-S168 VanDerWaalsContact CA-OG 3.31Å; V76-S168 WeakPolarHBondContact CA-OG 3.47Å; M79-S168 WeakPolarHBondContact CB-OG 3.36Å; G164-S168 PolarHBondContact O-N 3.11Å; G164-S168 PolarHBondContact O-OG 2.85Å; G166-S168 VanDerWaalsContact C-N 3.34Å; S168-L170 VanDerWaalsContact C-N 3.28Å; S168-L170 PolarHBondContact O-N 3.37Å; S168-T172 WeakPolarHBondContact O-CB 3.37Å; S168-T172 PolarHBondContact O-N 2.97Å; S168-T172 PolarHBondContact O-OG1 3.49Å
169P93.1Very high91.4Very high11 Ų1119.7 Ų19.77%0.07110%0.103CC..Hα-helixtrans-65.5-28.5177.3-19.933.5000113.3L83 C95 I96 G166 F171 T172 Y173 G174L83-P169 HydrophobicContact CD1-CG 4.11Å; L83-P169 HydrophobicContact CD2-CB 4.35Å; L83-P169 HydrophobicContact CD2-CG 4.02Å; C95-P169 HydrophobicContact CB-CB 4.47Å; I96-P169 HydrophobicContact CG1-CB 4.36Å; G166-P169 VanDerWaalsContact O-CD 3.3Å; G166-P169 WeakPolarHBondContact O-CD 3.23Å; P169-F171 PolarHBondContact O-N 2.92Å; P169-T172 PolarHBondContact O-N 3.04Å; P169-Y173 HydrophobicContact CB-CD2 4.11Å; P169-Y173 WeakPolarHBondContact O-CA 3.2Å; P169-Y173 WeakPolarHBondContact O-CB 3.43Å; P169-Y173 PolarHBondContact O-N 2.95Å; P169-G174 PolarHBondContact O-N 3Å
170L93.4Very high90.8Very high0 Ų023.7 Ų23.70%012%0.122CC..Hα-helixtrans-60.4-50.3-176.3-17666.5000111.5L32 N35 A36 Q39 I96 M100 A167 S168 G174 Y194L32-L170 HydrophobicContact CD1-CD1 3.75Å; N35-L170 HydrophobicContact CB-CD1 4.16Å; A36-L170 HydrophobicContact CB-CD2 4.23Å; Q39-L170 HydrophobicContact CB-CD2 3.79Å; Q39-L170 HydrophobicContact CG-CD2 4.19Å; I96-L170 HydrophobicContact CG2-CD1 3.68Å; M100-L170 HydrophobicContact CG-CD1 4.3Å; M100-L170 HydrophobicContact SD-CB 4.25Å; M100-L170 HydrophobicContact SD-CD1 4.14Å; M100-L170 HydrophobicContact SD-CD2 3.58Å; M100-L170 VanDerWaalsContact SD-CD2 3.58Å; M100-L170 HydrophobicContact SD-CG 4.19Å; A167-L170 VanDerWaalsContact O-CB 3.29Å; A167-L170 WeakPolarHBondContact O-CB 3.48Å; A167-L170 PolarHBondContact O-N 2.92Å; A167-L170 VanDerWaalsContact O-N 3.12Å; S168-L170 VanDerWaalsContact C-N 3.28Å; S168-L170 PolarHBondContact O-N 3.37Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 2.97Å; L170-Y194 WeakPolarHBondContact CG-OH 3.49Å; L170-Y194 PolarHBondContact O-OH 3.13Å; L170-Y194 VanDerWaalsContact O-OH 3.11Å
171F84.7Confident90.3Very high44 Ų4423.9 Ų23.919%0.19312%0.123CC..Hα-helixtrans-84.2-24.6179.4-66.4-80.9000113.7Q39 P169 I175 Y194 S198Q39-F171 HydrophobicContact CG-CE2 4.02Å; P169-F171 PolarHBondContact O-N 2.92Å; F171-I175 WeakPolarHBondContact O-CD1 3.14Å; F171-I175 WeakPolarHBondContact O-CG1 3.29Å; F171-Y194 HydrophobicContact CD1-CE1 4.16Å; F171-Y194 HydrophobicContact CE1-CE1 4.3Å; F171-S198 WeakPolarHBondContact CZ-OG 3.26Å
172T86.2Confident89.8Confident40 Ų4023.6 Ų23.625%0.24512%0.121CC..Hα-helixtrans-79.1-57.6178.4-50.70000110.7L80 L83 S168 P169 T176L80-T172 WeakPolarHBondContact CD2-OG1 3.25Å; L83-T172 HydrophobicContact CB-CG2 4.33Å; S168-T172 WeakPolarHBondContact O-CB 3.37Å; S168-T172 PolarHBondContact O-N 2.97Å; S168-T172 PolarHBondContact O-OG1 3.49Å; P169-T172 PolarHBondContact O-N 3.04Å; T172-T176 WeakPolarHBondContact O-CG2 3.28Å
173Y88.9Confident89Confident5 Ų520.5 Ų20.52%0.0211%0.108CC..Hα-helixtrans-86.7-29.8-176.9-65.3-23.8000113.2L83 A87 V90 K92 C95 P169 I175 T176 C177L83-Y173 WeakPolarHBondContact CA-OH 3.2Å; L83-Y173 HydrophobicContact CB-CE1 4.39Å; L83-Y173 HydrophobicContact CD2-CD2 4.31Å; L83-Y173 HydrophobicContact CD2-CE2 3.5Å; L83-Y173 WeakPolarHBondContact O-CE1 3.34Å; L83-Y173 PolarHBondContact O-OH 3.3Å; A87-Y173 HydrophobicContact CB-CE1 3.88Å; V90-Y173 HydrophobicContact CG2-CE2 3.87Å; K92-Y173 HydrophobicContact CB-CD2 4.28Å; K92-Y173 HydrophobicContact CB-CG 4.17Å; K92-Y173 HydrophobicContact CG-CD1 4.26Å; K92-Y173 HydrophobicContact CG-CD2 4.34Å; K92-Y173 HydrophobicContact CG-CG 4.08Å; C95-Y173 HydrophobicContact CB-CD2 3.85Å; C95-Y173 HydrophobicContact CB-CE2 3.87Å; P169-Y173 HydrophobicContact CB-CD2 4.11Å; P169-Y173 WeakPolarHBondContact O-CA 3.2Å; P169-Y173 WeakPolarHBondContact O-CB 3.43Å; P169-Y173 PolarHBondContact O-N 2.95Å; Y173-I175 VanDerWaalsContact C-N 3.33Å; Y173-I175 PolarHBondContact O-N 3.4Å; Y173-T176 WeakPolarHBondContact CA-OG1 3.4Å; Y173-T176 CarbonylContact O-C 3.59Å; Y173-T176 PolarHBondContact O-N 2.89Å; Y173-T176 VanDerWaalsContact O-N 3.15Å; Y173-T176 PolarHBondContact O-OG1 3.28Å; Y173-C177 WeakPolarHBondContact O-CB 3.37Å; Y173-C177 PolarHBondContact O-N 2.96Å; Y173-C177 PolarHBondContact O-SG 3.04Å
174G88.5Confident88Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-58.7-44.8179.600000112.2P169 L170 T176 C177 L178P169-G174 PolarHBondContact O-N 3Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 2.97Å; G174-T176 PolarHBondContact O-N 3.37Å; G174-C177 PolarHBondContact O-N 3.47Å; G174-L178 WeakPolarHBondContact O-CG 3.33Å; G174-L178 PolarHBondContact O-N 3.11Å
175I85.3Confident87.1Confident55 Ų5534.8 Ų34.828%0.28217%0.172SC..Hα-helixtrans-59.9-47.8174.9-60.8177.9000110.5F171 Y173 C177 L178 D179 L191 Y194 M195F171-I175 WeakPolarHBondContact O-CD1 3.14Å; F171-I175 WeakPolarHBondContact O-CG1 3.29Å; Y173-I175 VanDerWaalsContact C-N 3.33Å; Y173-I175 PolarHBondContact O-N 3.4Å; I175-C177 VanDerWaalsContact C-N 3.33Å; I175-C177 PolarHBondContact O-N 3.38Å; I175-L178 PolarHBondContact O-N 3.24Å; I175-D179 PolarHBondContact O-N 3.37Å; I175-L191 HydrophobicContact CB-CD1 4.22Å; I175-L191 HydrophobicContact CD1-CD1 4.45Å; I175-L191 HydrophobicContact CG1-CD1 3.87Å; I175-L191 HydrophobicContact CG2-CD1 3.78Å; I175-L191 HydrophobicContact CG2-CD2 4.31Å; I175-Y194 HydrophobicContact CG1-CE1 4.21Å; I175-M195 HydrophobicContact CD1-CE 3.47Å; I175-M195 VanDerWaalsContact CD1-CE 3.47Å; I175-M195 HydrophobicContact CG1-CE 4.16Å
176T84.8Confident86.3Confident48 Ų4836.7 Ų36.729%0.29418%0.176SC..Hα-helixtrans-65.4-34.5179.366.50000112.9K92 T172 Y173 G174 L178 D179 E180K92-T176 PolarHBondContact NZ-OG1 2.9Å; T172-T176 WeakPolarHBondContact O-CG2 3.28Å; Y173-T176 WeakPolarHBondContact CA-OG1 3.4Å; Y173-T176 CarbonylContact O-C 3.59Å; Y173-T176 PolarHBondContact O-N 2.89Å; Y173-T176 VanDerWaalsContact O-N 3.15Å; Y173-T176 PolarHBondContact O-OG1 3.28Å; G174-T176 PolarHBondContact O-N 3.37Å; T176-L178 VanDerWaalsContact C-N 3.35Å; T176-D179 PolarHBondContact O-N 2.82Å; T176-E180 WeakPolarHBondContact O-CB 3.32Å; T176-E180 VanDerWaalsContact O-CG 3.31Å; T176-E180 WeakPolarHBondContact O-CG 3.36Å; T176-E180 PolarHBondContact O-N 3.4Å
177C86.6Confident85.5Confident1 Ų137.1 Ų37.11%0.00718%0.179CC..Hα-helixtrans-66.9-38.2176.7-68.50000111.1F28 K92 Y173 G174 I175 D179 E180 F181F28-C177 HydrophobicContact CE1-CB 4.21Å; F28-C177 HydrophobicContact CZ-CB 3.91Å; K92-C177 VanDerWaalsContact CB-SG 3.56Å; Y173-C177 WeakPolarHBondContact O-CB 3.37Å; Y173-C177 PolarHBondContact O-N 2.96Å; Y173-C177 PolarHBondContact O-SG 3.04Å; G174-C177 PolarHBondContact O-N 3.47Å; I175-C177 VanDerWaalsContact C-N 3.33Å; I175-C177 PolarHBondContact O-N 3.38Å; C177-D179 VanDerWaalsContact C-N 3.32Å; C177-D179 PolarHBondContact O-N 2.93Å; C177-E180 PolarHBondContact O-N 3.03Å; C177-F181 HydrophobicContact CB-CD2 4.14Å; C177-F181 HydrophobicContact CB-CE2 3.86Å; C177-F181 WeakPolarHBondContact O-CB 3.44Å; C177-F181 VanDerWaalsContact O-CD2 3.23Å; C177-F181 WeakPolarHBondContact O-CD2 3.3Å; C177-F181 WeakPolarHBondContact O-CG 3.48Å; C177-F181 PolarHBondContact O-N 2.89Å
178L86.9Confident84.8Confident0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-64.7-37.6176.9-68.8176.6000112.2F25 F28 M29 L32 G174 I175 T176 D182 Y194F25-L178 HydrophobicContact CE2-CD2 4.04Å; F25-L178 HydrophobicContact CZ-CD2 3.93Å; F28-L178 HydrophobicContact CE1-CD2 4.18Å; M29-L178 HydrophobicContact CE-CD1 4.33Å; M29-L178 HydrophobicContact SD-CD1 3.94Å; M29-L178 HydrophobicContact SD-CD2 3.26Å; M29-L178 WeakPolarHBondContact SD-CD2 3.42Å; M29-L178 HydrophobicContact SD-CG 4.25Å; L32-L178 HydrophobicContact CD2-CD1 4.1Å; L32-L178 HydrophobicContact CD2-CD2 3.93Å; L32-L178 HydrophobicContact CD2-CG 3.87Å; G174-L178 WeakPolarHBondContact O-CG 3.33Å; G174-L178 PolarHBondContact O-N 3.11Å; I175-L178 PolarHBondContact O-N 3.24Å; T176-L178 VanDerWaalsContact C-N 3.35Å; L178-D182 PolarHBondContact O-N 3.49Å; L178-Y194 HydrophobicContact CD1-CD1 4.36Å; L178-Y194 HydrophobicContact CD1-CD2 4.27Å; L178-Y194 HydrophobicContact CD1-CG 3.89Å
179D82.8Confident84.3Confident70 Ų7047.4 Ų47.437%0.37423%0.233SC..Hα-helixtrans-73.6-33.7174-168.153.2000112.7I175 T176 C177 H184 T187 K272I175-D179 PolarHBondContact O-N 3.37Å; T176-D179 PolarHBondContact O-N 2.82Å; C177-D179 VanDerWaalsContact C-N 3.32Å; C177-D179 PolarHBondContact O-N 2.93Å; D179-H184 IonicContact OD1-CE1 3.43Å; D179-H184 IonicContact OD1-ND1 2.82Å; D179-T187 HydrophobicContact CB-CG2 3.89Å; D179-T187 WeakPolarHBondContact OD1-CG2 3.37Å; D179-K272 PolarHBondContact O-NZ 3.48Å
180E83.6Confident83.9Confident85 Ų8547.5 Ų47.540%0.39723%0.233SC..Hα-helixtrans-73.5-30.6176.9-78.4178.4-178.700113.7K92 T176 C177 K272K92-E180 VanDerWaalsContact NZ-CD 3.3Å; K92-E180 IonicContact NZ-OE1 3.22Å; K92-E180 PolarHBondContact NZ-OE1 3.49Å; K92-E180 IonicContact NZ-OE2 2.81Å; K92-E180 PolarHBondContact NZ-OE2 3.27Å; T176-E180 WeakPolarHBondContact O-CB 3.32Å; T176-E180 VanDerWaalsContact O-CG 3.31Å; T176-E180 WeakPolarHBondContact O-CG 3.36Å; T176-E180 PolarHBondContact O-N 3.4Å; C177-E180 PolarHBondContact O-N 3.03Å; E180-K272 VanDerWaalsContact C-NZ 3.26Å; E180-K272 WeakPolarHBondContact O-CE 3.1Å; E180-K272 PolarHBondContact O-NZ 3.36Å
181F85.1Confident83.5Confident5 Ų550 Ų502%0.02225%0.246CC..Hα-helixtrans-100.7-21-172.6-60.3-28.3000115.7F25 F28 V93 C177 K263 L265F25-F181 HydrophobicContact CD2-CB 3.73Å; F25-F181 HydrophobicContact CE2-CB 3.99Å; F28-F181 AromaticContact CD1-CD2 3.99Å; F28-F181 HydrophobicContact CD1-CD2 3.99Å; F28-F181 HydrophobicContact CD1-CE2 4.44Å; F28-F181 AromaticContact CE1-CD2 3.65Å; F28-F181 HydrophobicContact CE1-CD2 3.65Å; F28-F181 AromaticContact CE1-CE2 3.92Å; F28-F181 HydrophobicContact CE1-CE2 3.92Å; F28-F181 HydrophobicContact CE2-CE2 4.26Å; F28-F181 HydrophobicContact CZ-CD2 4.05Å; F28-F181 AromaticContact CZ-CE2 3.81Å; F28-F181 HydrophobicContact CZ-CE2 3.81Å; V93-F181 HydrophobicContact CG2-CE2 3.62Å; V93-F181 HydrophobicContact CG2-CZ 3.63Å; C177-F181 HydrophobicContact CB-CD2 4.14Å; C177-F181 HydrophobicContact CB-CE2 3.86Å; C177-F181 WeakPolarHBondContact O-CB 3.44Å; C177-F181 VanDerWaalsContact O-CD2 3.23Å; C177-F181 WeakPolarHBondContact O-CD2 3.3Å; C177-F181 WeakPolarHBondContact O-CG 3.48Å; C177-F181 PolarHBondContact O-N 2.89Å; F181-K263 WeakPolarHBondContact CE1-O 3.5Å; F181-L265 HydrophobicContact CB-CD1 3.98Å; F181-L265 HydrophobicContact CD1-CG 4.43Å; F181-L265 HydrophobicContact CD2-CD1 3.65Å; F181-L265 HydrophobicContact CD2-CG 3.93Å; F181-L265 HydrophobicContact CE2-CD1 4.29Å; F181-L265 HydrophobicContact CE2-CG 4.17Å; F181-L265 HydrophobicContact CG-CD1 3.9Å; F181-L265 HydrophobicContact CG-CG 4.07Å
182D85.3Confident83.4Confident1 Ų150.2 Ų50.21%0.00526%0.257CS..SBendtrans-110.4166.9174.9-155.417.6000112.7F25 L178 R186 N190 R271 K272F25-D182 HydrophobicContact CD2-CB 4.23Å; F25-D182 HydrophobicContact CE1-CB 4.27Å; F25-D182 HydrophobicContact CE2-CB 3.67Å; F25-D182 HydrophobicContact CZ-CB 3.69Å; L178-D182 PolarHBondContact O-N 3.49Å; D182-R186 IonicContact OD1-CZ 3.83Å; D182-R186 IonicContact OD1-NE 3.54Å; D182-R186 PolarHBondContact OD1-NE 3.48Å; D182-R186 IonicContact OD1-NH2 2.81Å; D182-R186 PolarHBondContact OD1-NH2 2.99Å; D182-R186 WeakPolarHBondContact OD2-CB 3.28Å; D182-R186 IonicContact OD2-NE 3.63Å; D182-R186 PolarHBondContact OD2-NE 2.82Å; D182-N190 PolarHBondContact OD2-ND2 3.33Å; D182-R271 IonicContact OD1-NH1 2.83Å; D182-R271 PolarHBondContact OD1-NH1 3.49Å; D182-R271 IonicContact OD2-NH1 3.46Å; D182-K272 WeakPolarHBondContact O-CE 3.49Å
183S81.8Confident83.3Confident10 Ų1052.8 Ų52.87%0.0727%0.268CS..  trans-69.4141.7175162.70000111.8K185 R186 T187 R271 D275S183-K185 PolarHBondContact O-N 3.41Å; S183-K185 PolarHBondContact OG-N 3.25Å; S183-R186 PolarHBondContact O-N 3.25Å; S183-T187 PolarHBondContact O-N 3.01Å; S183-T187 PolarHBondContact O-OG1 3.12Å; S183-R271 WeakPolarHBondContact CB-O 3.34Å; S183-D275 WeakPolarHBondContact CA-OD2 3.46Å; S183-D275 WeakPolarHBondContact CB-OD1 3.3Å; S183-D275 PolarHBondContact OG-OD1 3.39Å
184H74.9Confident83.4Confident118 Ų11852.6 Ų52.655%0.54627%0.267SS..Hα-helixtrans-51.9-28.8177.4-70.9-62.7000113.9D179 R186 D275D179-H184 IonicContact OD1-CE1 3.43Å; D179-H184 IonicContact OD1-ND1 2.82Å; H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3.33Å; H184-D275 IonicContact CD2-OD2 2.81Å; H184-D275 PolarHBondContact N-OD2 3.27Å; H184-D275 VanDerWaalsContact N-OD2 3.13Å
185K76.5Confident83.2Confident183 Ų18356.1 Ų56.180%0.79629%0.285SS*.Hα-helixtrans-67.7-29.2176.6-69.7-178.8-179.4174.50113.2S183S183-K185 PolarHBondContact O-N 3.41Å; S183-K185 PolarHBondContact OG-N 3.25Å
186R79.9Confident83.2Confident91 Ų9157.9 Ų57.934%0.34329%0.294SS..Hα-helixtrans-108.6-22.1-174.7-66.3-170.4-58.1-134.2-6.7113D182 S183 H184 G188 R189 N190D182-R186 IonicContact OD1-CZ 3.83Å; D182-R186 IonicContact OD1-NE 3.54Å; D182-R186 PolarHBondContact OD1-NE 3.48Å; D182-R186 IonicContact OD1-NH2 2.81Å; D182-R186 PolarHBondContact OD1-NH2 2.99Å; D182-R186 WeakPolarHBondContact OD2-CB 3.28Å; D182-R186 IonicContact OD2-NE 3.63Å; D182-R186 PolarHBondContact OD2-NE 2.82Å; S183-R186 PolarHBondContact O-N 3.25Å; H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3.33Å; R186-G188 VanDerWaalsContact C-N 3.3Å; R186-G188 PolarHBondContact O-N 2.88Å; R186-R189 WeakPolarHBondContact O-CB 3.23Å; R186-R189 PolarHBondContact O-N 3.46Å; R186-N190 PolarHBondContact O-N 3.12Å; R186-N190 VanDerWaalsContact O-N 3.14Å
187T80.5Confident83.4Confident10 Ų1056.6 Ų56.66%0.06129%0.288CS..Hα-helixtrans-51.3-46-178.6-54.90000112.5D179 S183 R189 N190 L191D179-T187 HydrophobicContact CB-CG2 3.89Å; D179-T187 WeakPolarHBondContact OD1-CG2 3.37Å; S183-T187 PolarHBondContact O-N 3.01Å; S183-T187 PolarHBondContact O-OG1 3.12Å; T187-R189 VanDerWaalsContact C-N 3.3Å; T187-R189 PolarHBondContact O-N 3.35Å; T187-N190 PolarHBondContact O-N 3.49Å; T187-N190 VanDerWaalsContact O-N 3.13Å; T187-L191 WeakPolarHBondContact O-CB 3.5Å; T187-L191 PolarHBondContact O-N 3.2Å
188G79.1Confident83.5Confident53 Ų5357.2 Ų57.255%0.54629%0.293SS..Hα-helixtrans-59.2-38.4-179.400000113.6R186 A192R186-G188 VanDerWaalsContact C-N 3.3Å; R186-G188 PolarHBondContact O-N 2.88Å; G188-A192 PolarHBondContact O-N 2.88Å; G188-A192 VanDerWaalsContact O-N 3.15Å
189R81.4Confident83.4Confident165 Ų16560.8 Ų60.862%0.62331%0.314SS*.Hα-helixtrans-68.6-43.1175.7-178.8179.265178.40.5111.4R186 T187 A192 L193R186-R189 WeakPolarHBondContact O-CB 3.23Å; R186-R189 PolarHBondContact O-N 3.46Å; T187-R189 VanDerWaalsContact C-N 3.3Å; T187-R189 PolarHBondContact O-N 3.35Å; R189-A192 PolarHBondContact O-N 2.92Å; R189-L193 WeakPolarHBondContact O-CG 3.35Å; R189-L193 PolarHBondContact O-N 3.41Å
190N85.7Confident83.7Confident13 Ų1359.7 Ų59.77%0.0731%0.31CS..Hα-helixtrans-67.8-40.9-179.9-59.9-16.2000111F25 M29 D182 R186 T187 A192 L193 Y194F25-N190 VanDerWaalsContact CE1-ND2 3.26Å; F25-N190 WeakPolarHBondContact CE1-ND2 3.43Å; F25-N190 HydrophobicContact CZ-CB 4.43Å; F25-N190 VanDerWaalsContact CZ-ND2 3.28Å; F25-N190 WeakPolarHBondContact CZ-ND2 3.27Å; M29-N190 HydrophobicContact CE-CB 4.12Å; M29-N190 WeakPolarHBondContact CE-O 3.41Å; D182-N190 PolarHBondContact OD2-ND2 3.33Å; R186-N190 PolarHBondContact O-N 3.12Å; R186-N190 VanDerWaalsContact O-N 3.14Å; T187-N190 PolarHBondContact O-N 3.49Å; T187-N190 VanDerWaalsContact O-N 3.13Å; N190-A192 VanDerWaalsContact C-N 3.28Å; N190-A192 PolarHBondContact O-N 3.35Å; N190-L193 WeakPolarHBondContact O-CB 3.32Å; N190-L193 PolarHBondContact O-N 3.46Å; N190-L193 VanDerWaalsContact O-N 3.11Å; N190-Y194 PolarHBondContact O-N 3.09Å
191L84.7Confident84.1Confident52 Ų5255.6 Ų55.627%0.27229%0.291SS..Hα-helixtrans-59-40.9174.8-176.260.5000111.6I175 T187 Y194 M195I175-L191 HydrophobicContact CB-CD1 4.22Å; I175-L191 HydrophobicContact CD1-CD1 4.45Å; I175-L191 HydrophobicContact CG1-CD1 3.87Å; I175-L191 HydrophobicContact CG2-CD1 3.78Å; I175-L191 HydrophobicContact CG2-CD2 4.31Å; T187-L191 WeakPolarHBondContact O-CB 3.5Å; T187-L191 PolarHBondContact O-N 3.2Å; L191-Y194 HydrophobicContact CD1-CD1 4.29Å; L191-Y194 PolarHBondContact O-N 3.28Å; L191-M195 HydrophobicContact CD1-CE 4.31Å; L191-M195 WeakPolarHBondContact O-CG 3.16Å; L191-M195 PolarHBondContact O-N 3.42Å
192A82.1Confident84.4Confident50 Ų5056.1 Ų56.141%0.41330%0.295SS..Hα-helixtrans-62.2-44173.900000112.1G188 R189 N190 Y194 M195 I196G188-A192 PolarHBondContact O-N 2.88Å; G188-A192 VanDerWaalsContact O-N 3.15Å; R189-A192 PolarHBondContact O-N 2.92Å; N190-A192 VanDerWaalsContact C-N 3.28Å; N190-A192 PolarHBondContact O-N 3.35Å; A192-Y194 VanDerWaalsContact C-N 3.35Å; A192-Y194 PolarHBondContact O-N 3.47Å; A192-M195 PolarHBondContact O-N 2.83Å; A192-I196 VanDerWaalsContact O-CG1 3.26Å; A192-I196 WeakPolarHBondContact O-CG1 3.38Å; A192-I196 PolarHBondContact O-N 2.89Å
193L85.9Confident84.6Confident94 Ų9457 Ų5749%0.49230%0.302SS..Hα-helixtrans-61.4-41.8175.6-72169.5000112.3M29 R189 N190 I196 A197M29-L193 HydrophobicContact CE-CB 4.13Å; R189-L193 WeakPolarHBondContact O-CG 3.35Å; R189-L193 PolarHBondContact O-N 3.41Å; N190-L193 WeakPolarHBondContact O-CB 3.32Å; N190-L193 PolarHBondContact O-N 3.46Å; N190-L193 VanDerWaalsContact O-N 3.11Å; L193-I196 PolarHBondContact O-N 3.26Å; L193-A197 PolarHBondContact O-N 3.21Å
194Y89.6Confident85.1Confident0 Ų061.3 Ų61.30%032%0.324CS..Hα-helixtrans-59.9-45.8175.4171.3-103.1000112L32 A36 L170 F171 I175 L178 N190 L191 A192 A197 S198L32-Y194 HydrophobicContact CD1-CE2 4.45Å; L32-Y194 HydrophobicContact CD2-CD2 4.3Å; L32-Y194 HydrophobicContact CD2-CE2 4.17Å; L32-Y194 HydrophobicContact CG-CD2 4.15Å; L32-Y194 HydrophobicContact CG-CE2 3.79Å; A36-Y194 HydrophobicContact CB-CD2 4.09Å; A36-Y194 HydrophobicContact CB-CE2 3.41Å; A36-Y194 VanDerWaalsContact CB-CE2 3.41Å; L170-Y194 WeakPolarHBondContact CG-OH 3.49Å; L170-Y194 PolarHBondContact O-OH 3.13Å; L170-Y194 VanDerWaalsContact O-OH 3.11Å; F171-Y194 HydrophobicContact CD1-CE1 4.16Å; F171-Y194 HydrophobicContact CE1-CE1 4.3Å; I175-Y194 HydrophobicContact CG1-CE1 4.21Å; L178-Y194 HydrophobicContact CD1-CD1 4.36Å; L178-Y194 HydrophobicContact CD1-CD2 4.27Å; L178-Y194 HydrophobicContact CD1-CG 3.89Å; N190-Y194 PolarHBondContact O-N 3.09Å; L191-Y194 HydrophobicContact CD1-CD1 4.29Å; L191-Y194 PolarHBondContact O-N 3.28Å; A192-Y194 VanDerWaalsContact C-N 3.35Å; A192-Y194 PolarHBondContact O-N 3.47Å; Y194-A197 PolarHBondContact O-N 3.29Å; Y194-S198 PolarHBondContact O-N 3.01Å
195M85.6Confident86Confident75 Ų7556 Ų5637%0.36930%0.301SS..Hα-helixtrans-67.2-38.7178.1-68.2-62.3-170.800112.4I175 L191 A192 A197 S198 T199I175-M195 HydrophobicContact CD1-CE 3.47Å; I175-M195 VanDerWaalsContact CD1-CE 3.47Å; I175-M195 HydrophobicContact CG1-CE 4.16Å; L191-M195 HydrophobicContact CD1-CE 4.31Å; L191-M195 WeakPolarHBondContact O-CG 3.16Å; L191-M195 PolarHBondContact O-N 3.42Å; A192-M195 PolarHBondContact O-N 2.83Å; M195-A197 VanDerWaalsContact C-N 3.33Å; M195-A197 PolarHBondContact O-N 2.92Å; M195-S198 WeakPolarHBondContact O-CB 3.21Å; M195-S198 PolarHBondContact O-N 2.88Å; M195-T199 PolarHBondContact O-N 3.38Å; M195-T199 PolarHBondContact O-OG1 3.26Å
196I84.9Confident86.8Confident92 Ų9247.9 Ų47.947%0.47227%0.265SS..Hα-helixtrans-60.9-44174.4-69.8164.5000110.5A192 L193 S198 T199 V200A192-I196 VanDerWaalsContact O-CG1 3.26Å; A192-I196 WeakPolarHBondContact O-CG1 3.38Å; A192-I196 PolarHBondContact O-N 2.89Å; L193-I196 PolarHBondContact O-N 3.26Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 2.95Å; I196-T199 PolarHBondContact O-N 2.73Å; I196-T199 VanDerWaalsContact O-N 3.1Å; I196-V200 HydrophobicContact CG2-CG2 4.32Å; I196-V200 WeakPolarHBondContact O-CG2 3.44Å; I196-V200 PolarHBondContact O-N 3.44Å
197A89.1Confident87.4Confident20 Ų2046.1 Ų46.117%0.16526%0.264CS..Hα-helixtrans-58.5-40.717800000112M37 L193 Y194 M195 T199 V200 G201M37-A197 WeakPolarHBondContact CA-O 3.18Å; M37-A197 VanDerWaalsContact CB-O 3.3Å; M37-A197 WeakPolarHBondContact CB-O 3.29Å; M37-A197 WeakPolarHBondContact CG-O 3.49Å; L193-A197 PolarHBondContact O-N 3.21Å; Y194-A197 PolarHBondContact O-N 3.29Å; M195-A197 VanDerWaalsContact C-N 3.33Å; M195-A197 PolarHBondContact O-N 2.92Å; A197-T199 PolarHBondContact O-N 3.47Å; A197-V200 PolarHBondContact O-N 3.46Å; A197-G201 PolarHBondContact O-N 2.94Å
198S89.2Confident87.9Confident15 Ų1547.1 Ų47.111%0.10528%0.277CS..Hα-helixtrans-61.8-40.2174.7-172.40000112.7A36 F171 Y194 M195 I196 G201 P202A36-S198 PolarHBondContact O-OG 3.02Å; F171-S198 WeakPolarHBondContact CZ-OG 3.26Å; Y194-S198 PolarHBondContact O-N 3.01Å; M195-S198 WeakPolarHBondContact O-CB 3.21Å; M195-S198 PolarHBondContact O-N 2.88Å; I196-S198 VanDerWaalsContact C-N 3.28Å; I196-S198 PolarHBondContact O-N 2.95Å; S198-G201 PolarHBondContact O-N 3.12Å; S198-P202 WeakPolarHBondContact O-CD 3.43Å
199T83.3Confident88.4Confident74 Ų7445 Ų4545%0.45425%0.254SS..Hα-helixtrans-72.4-26.6178.1-53.50000114M195 I196 A197 G201 P202 I356M195-T199 PolarHBondContact O-N 3.38Å; M195-T199 PolarHBondContact O-OG1 3.26Å; I196-T199 PolarHBondContact O-N 2.73Å; I196-T199 VanDerWaalsContact O-N 3.1Å; A197-T199 PolarHBondContact O-N 3.47Å; T199-G201 VanDerWaalsContact C-N 3.32Å; T199-P202 WeakPolarHBondContact O-CD 3.25Å; T199-I356 HydrophobicContact CG2-CG1 4.39Å
200V89.1Confident88.9Confident47 Ų4737.2 Ų37.229%0.28522%0.224SC..Hα-helixtrans-69.8-31.6175.2170.80000111.5M37 I196 A197 A203 L204M37-V200 HydrophobicContact SD-CG1 4.33Å; I196-V200 HydrophobicContact CG2-CG2 4.32Å; I196-V200 WeakPolarHBondContact O-CG2 3.44Å; I196-V200 PolarHBondContact O-N 3.44Å; A197-V200 PolarHBondContact O-N 3.46Å; V200-A203 VanDerWaalsContact O-CB 3.27Å; V200-A203 WeakPolarHBondContact O-CB 3.36Å; V200-A203 PolarHBondContact O-N 3.5Å; V200-A203 VanDerWaalsContact O-N 3.14Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 PolarHBondContact O-N 3.29Å
201G91.7Very high89.1Confident0 Ų041.8 Ų41.80%024%0.244CC..Hα-helixtrans-51.4-56.4179.100000114.4M37 A41 A197 S198 T199 A203 L204 A205M37-G201 VanDerWaalsContact O-CA 3.28Å; M37-G201 WeakPolarHBondContact O-CA 3.36Å; A41-G201 VanDerWaalsContact CA-C 3.49Å; A41-G201 WeakPolarHBondContact CA-O 3.33Å; A41-G201 WeakPolarHBondContact CB-O 3.38Å; A197-G201 PolarHBondContact O-N 2.94Å; S198-G201 PolarHBondContact O-N 3.12Å; T199-G201 VanDerWaalsContact C-N 3.32Å; G201-A203 VanDerWaalsContact C-N 3.27Å; G201-A203 PolarHBondContact O-N 3.11Å; G201-L204 PolarHBondContact O-N 2.93Å; G201-A205 PolarHBondContact O-N 2.92Å
202P91.8Very high89.4Confident15 Ų1542.9 Ų42.910%0.09725%0.249CC..Hα-helixtrans-53.6-41.1175.9-23.828.1000113G40 N44 S198 T199 L204 A205 F206G40-P202 WeakPolarHBondContact O-CG 3.4Å; N44-P202 HydrophobicContact CB-CB 4.25Å; N44-P202 HydrophobicContact CB-CG 3.84Å; S198-P202 WeakPolarHBondContact O-CD 3.43Å; T199-P202 WeakPolarHBondContact O-CD 3.25Å; P202-L204 PolarHBondContact O-N 3.18Å; P202-A205 PolarHBondContact O-N 3.29Å; P202-F206 HydrophobicContact CB-CD2 4.44Å; P202-F206 HydrophobicContact CB-CE2 4.38Å; P202-F206 WeakPolarHBondContact O-CD2 3.39Å; P202-F206 PolarHBondContact O-N 3.31Å
203A90.4Very high89.8Confident19 Ų1940.8 Ų40.816%0.15723%0.23CC..Hα-helixtrans-58-49.4178.700000111.6V200 G201 A205 F206 V207 V352V200-A203 VanDerWaalsContact O-CB 3.27Å; V200-A203 WeakPolarHBondContact O-CB 3.36Å; V200-A203 PolarHBondContact O-N 3.5Å; V200-A203 VanDerWaalsContact O-N 3.14Å; G201-A203 VanDerWaalsContact C-N 3.27Å; G201-A203 PolarHBondContact O-N 3.11Å; A203-A205 VanDerWaalsContact C-N 3.29Å; A203-A205 PolarHBondContact O-N 2.95Å; A203-F206 PolarHBondContact O-N 3.23Å; A203-V207 WeakPolarHBondContact O-CG2 3.33Å; A203-V207 PolarHBondContact O-N 3.47Å; A203-V207 VanDerWaalsContact O-N 3.08Å; A203-V352 HydrophobicContact CB-CB 3.88Å; A203-V352 HydrophobicContact CB-CG1 3.4Å; A203-V352 VanDerWaalsContact CB-CG1 3.4Å; A203-V352 HydrophobicContact CB-CG2 4.21Å
204L92.1Very high90Very high102 Ų10241.2 Ų41.253%0.53423%0.225SC..Hα-helixtrans-63.7-37.7178.7-65.7175.6000111.3M37 V200 G201 P202 G208M37-L204 HydrophobicContact SD-CD1 3.91Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.17Å; V200-L204 PolarHBondContact O-N 3.29Å; G201-L204 PolarHBondContact O-N 2.93Å; P202-L204 PolarHBondContact O-N 3.18Å; L204-G208 WeakPolarHBondContact O-CA 3.5Å; L204-G208 PolarHBondContact O-N 2.93Å
205A93.9Very high90Very high7 Ų745.6 Ų45.66%0.05825%0.248CC..Hα-helixtrans-67.6-46.6176.500000112.6A41 L46 G201 P202 A203 V207 C209A41-A205 HydrophobicContact CB-CB 4.01Å; A41-A205 WeakPolarHBondContact O-CB 3.48Å; L46-A205 HydrophobicContact CD2-CB 4.03Å; L46-A205 HydrophobicContact CG-CB 4.24Å; G201-A205 PolarHBondContact O-N 2.92Å; P202-A205 PolarHBondContact O-N 3.29Å; A203-A205 VanDerWaalsContact C-N 3.29Å; A203-A205 PolarHBondContact O-N 2.95Å; A205-V207 VanDerWaalsContact C-N 3.35Å; A205-V207 PolarHBondContact O-N 2.97Å; A205-C209 WeakPolarHBondContact O-CB 3.38Å; A205-C209 PolarHBondContact O-N 3.44Å
206F92.4Very high90.2Very high11 Ų1143.8 Ų43.85%0.04824%0.237CC..Hα-helixtrans-58.6-45.7176.6-82.7-70.5000111.9V49 P202 A203 G210 P329 T347 V352V49-F206 HydrophobicContact CG2-CD1 3.2Å; V49-F206 HydrophobicContact CG2-CE1 3.48Å; V49-F206 VanDerWaalsContact CG2-CE1 3.48Å; V49-F206 HydrophobicContact CG2-CG 4.05Å; P202-F206 HydrophobicContact CB-CD2 4.44Å; P202-F206 HydrophobicContact CB-CE2 4.38Å; P202-F206 WeakPolarHBondContact O-CD2 3.39Å; P202-F206 PolarHBondContact O-N 3.31Å; A203-F206 PolarHBondContact O-N 3.23Å; F206-G210 WeakPolarHBondContact O-CA 3.49Å; F206-G210 PolarHBondContact O-N 2.98Å; F206-P329 HydrophobicContact CE1-CG 3.86Å; F206-T347 HydrophobicContact CD1-CG2 3.87Å; F206-T347 HydrophobicContact CD2-CG2 4.5Å; F206-T347 HydrophobicContact CE1-CG2 3.65Å; F206-T347 HydrophobicContact CE2-CG2 4.32Å; F206-T347 HydrophobicContact CG-CG2 4.33Å; F206-T347 HydrophobicContact CZ-CG2 3.91Å; F206-V352 HydrophobicContact CD2-CG2 4.47Å
207V92.6Very high90.1Very high54 Ų5439.5 Ų39.533%0.32722%0.216SC..Hα-helixtrans-70.2-52.8179.7176.60000111A203 A205 C209 G210 F211 L345A203-V207 WeakPolarHBondContact O-CG2 3.33Å; A203-V207 PolarHBondContact O-N 3.47Å; A203-V207 VanDerWaalsContact O-N 3.08Å; A205-V207 VanDerWaalsContact C-N 3.35Å; A205-V207 PolarHBondContact O-N 2.97Å; V207-C209 PolarHBondContact O-N 3.23Å; V207-G210 PolarHBondContact O-N 2.94Å; V207-F211 HydrophobicContact CG1-CD2 4.31Å; V207-F211 HydrophobicContact CG1-CE2 3.9Å; V207-F211 WeakPolarHBondContact O-CD2 3.34Å; V207-F211 PolarHBondContact O-N 3.37Å; V207-L345 HydrophobicContact CG1-CD2 4.31Å; V207-L345 WeakPolarHBondContact O-CD2 3.24Å
208G91.8Very high89.9Confident32 Ų3238.8 Ų38.833%0.3321%0.209SC..Hα-helixtrans-61.2-46.7-177.500000112.6L204 F211 M212L204-G208 WeakPolarHBondContact O-CA 3.5Å; L204-G208 PolarHBondContact O-N 2.93Å; G208-F211 PolarHBondContact O-N 3.37Å; G208-M212 WeakPolarHBondContact O-CG 3.15Å; G208-M212 PolarHBondContact O-N 2.83Å
209C90.2Very high89.6Confident9 Ų944.9 Ų44.96%0.06123%0.23CC..Hα-helixtrans-75.3-27.2177.5-71.30000113.3L46 V49 A205 V207 F211 M212 L213L46-C209 HydrophobicContact CD2-CB 4.28Å; L46-C209 WeakPolarHBondContact CD2-SG 3.29Å; V49-C209 HydrophobicContact CB-CB 4.49Å; V49-C209 HydrophobicContact CG1-CB 3.74Å; A205-C209 WeakPolarHBondContact O-CB 3.38Å; A205-C209 PolarHBondContact O-N 3.44Å; V207-C209 PolarHBondContact O-N 3.23Å; C209-F211 PolarHBondContact O-N 2.84Å; C209-M212 PolarHBondContact O-N 2.64Å; C209-M212 VanDerWaalsContact O-N 3.11Å; C209-L213 WeakPolarHBondContact O-CB 3.46Å; C209-L213 WeakPolarHBondContact O-CG 3.37Å; C209-L213 PolarHBondContact O-N 3.47Å
210G90.1Very high89.5Confident0 Ų045.8 Ų45.80%023%0.225CC..Hα-helixtrans-56.6-35.4170.300000112.8F206 V207 G341F206-G210 WeakPolarHBondContact O-CA 3.49Å; F206-G210 PolarHBondContact O-N 2.98Å; V207-G210 PolarHBondContact O-N 2.94Å; G210-G341 WeakPolarHBondContact O-CA 3.33Å
211F91.6Very high89.1Confident109 Ų10944.9 Ų44.948%0.47822%0.22SC..Hα-helixtrans-74-44.6170.6-71.8-71.3000112.8V207 G208 C209 L213 R214 L345V207-F211 HydrophobicContact CG1-CD2 4.31Å; V207-F211 HydrophobicContact CG1-CE2 3.9Å; V207-F211 WeakPolarHBondContact O-CD2 3.34Å; V207-F211 PolarHBondContact O-N 3.37Å; G208-F211 PolarHBondContact O-N 3.37Å; C209-F211 PolarHBondContact O-N 2.84Å; F211-L213 VanDerWaalsContact C-N 3.28Å; F211-L213 PolarHBondContact O-N 3.29Å; F211-R214 WeakPolarHBondContact O-CB 3.29Å; F211-R214 PolarHBondContact O-N 3.3Å; F211-R214 VanDerWaalsContact O-N 3.08Å; F211-L345 HydrophobicContact CD2-CD2 3.94Å; F211-L345 HydrophobicContact CE1-CD1 4.46Å; F211-L345 HydrophobicContact CE2-CD2 3.74Å; F211-L345 HydrophobicContact CG-CD2 4.44Å; F211-L345 HydrophobicContact CZ-CD2 4.09Å
212M90.6Very high88.6Confident76 Ų7646.8 Ų46.837%0.37423%0.233SC..Hα-helixtrans-62.7-34-180-63.8-66.7148.800112.6G208 C209 R214 L215 I242G208-M212 WeakPolarHBondContact O-CG 3.15Å; G208-M212 PolarHBondContact O-N 2.83Å; C209-M212 PolarHBondContact O-N 2.64Å; C209-M212 VanDerWaalsContact O-N 3.11Å; M212-R214 PolarHBondContact O-N 2.89Å; M212-R214 VanDerWaalsContact O-N 3.13Å; M212-L215 WeakPolarHBondContact O-CB 3.48Å; M212-L215 PolarHBondContact O-N 3.4Å; M212-L215 HydrophobicContact SD-CD1 4.24Å; M212-I242 HydrophobicContact CB-CG2 4.05Å; M212-I242 HydrophobicContact CG-CG2 4.02Å; M212-I242 HydrophobicContact SD-CG2 4.14Å
213L90.5Very high88.1Confident6 Ų648 Ų483%0.03124%0.241CC..THydrogen-bonded Turntrans-68.2-6.5176.1-75.1-174.5000114.2V49 C209 F211 F236 G238 W240V49-L213 HydrophobicContact CG1-CD1 3.3Å; V49-L213 HydrophobicContact CG1-CG 4.07Å; C209-L213 WeakPolarHBondContact O-CB 3.46Å; C209-L213 WeakPolarHBondContact O-CG 3.37Å; C209-L213 PolarHBondContact O-N 3.47Å; F211-L213 VanDerWaalsContact C-N 3.28Å; F211-L213 PolarHBondContact O-N 3.29Å; L213-F236 VanDerWaalsContact O-CE1 3.32Å; L213-F236 WeakPolarHBondContact O-CE1 3.38Å; L213-G238 WeakPolarHBondContact O-CA 3.06Å; L213-W240 HydrophobicContact CD2-CB 3.97Å
214R89.3Confident87.3Confident103 Ų10350.5 Ų50.539%0.38926%0.261SS..THydrogen-bonded Turntrans-86.7-12.7170.2-62.3179.4175-177.8-2112.7F211 M212 F236 N342 L345F211-R214 WeakPolarHBondContact O-CB 3.29Å; F211-R214 PolarHBondContact O-N 3.3Å; F211-R214 VanDerWaalsContact O-N 3.08Å; M212-R214 PolarHBondContact O-N 2.89Å; M212-R214 VanDerWaalsContact O-N 3.13Å; R214-F236 WeakPolarHBondContact O-CZ 3.11Å; R214-N342 PolarHBondContact NH2-OD1 3.3Å; R214-L345 VanDerWaalsContact NH2-CD1 3.3Å
215L90.1Very high86.3Confident91 Ų9150.9 Ų50.948%0.47626%0.261SS..SBendtrans-91.6145.1174.6-57.8176.2000109.6M212 G217 G238 M239M212-L215 WeakPolarHBondContact O-CB 3.48Å; M212-L215 PolarHBondContact O-N 3.4Å; M212-L215 HydrophobicContact SD-CD1 4.24Å; L215-G217 PolarHBondContact O-N 2.65Å; L215-G238 CarbonylContact O-C 3.36Å; L215-G238 WeakPolarHBondContact O-CA 3.47Å; L215-M239 HydrophobicContact CB-CB 4.46Å; L215-M239 HydrophobicContact CB-CE 3.61Å; L215-M239 HydrophobicContact CD1-CE 3.95Å; L215-M239 HydrophobicContact CG-CE 4.45Å; L215-M239 PolarHBondContact O-N 2.9Å
216W88.8Confident85.1Confident37 Ų3751.6 Ų51.614%0.1426%0.263CS..BIsolated β-bridgetrans-64132.4-178.9-178-107.8000111.1Y120 D218 T221 P223 M226 I228 F236Y120-W216 AromaticContact CD1-CH2 3.79Å; Y120-W216 HydrophobicContact CD1-CH2 3.79Å; Y120-W216 AromaticContact CD1-CZ2 3.91Å; Y120-W216 HydrophobicContact CD1-CZ2 3.91Å; Y120-W216 AromaticContact CE1-CH2 3.88Å; Y120-W216 HydrophobicContact CE1-CH2 3.88Å; Y120-W216 HydrophobicContact CE1-CZ2 4.46Å; W216-D218 HydrophobicContact CZ2-CB 4.18Å; W216-D218 PolarHBondContact NE1-O 3.25Å; W216-T221 PolarHBondContact NE1-O 2.89Å; W216-P223 HydrophobicContact CB-CG 4.19Å; W216-P223 HydrophobicContact CD2-CB 3.94Å; W216-P223 HydrophobicContact CD2-CG 4.22Å; W216-P223 HydrophobicContact CE3-CB 3.87Å; W216-P223 HydrophobicContact CG-CB 4.3Å; W216-P223 HydrophobicContact CG-CG 4.05Å; W216-P223 HydrophobicContact CZ3-CB 4.33Å; W216-M226 HydrophobicContact CH2-CE 3.73Å; W216-M226 HydrophobicContact CH2-SD 4.36Å; W216-M226 HydrophobicContact CZ2-CE 3.22Å; W216-M226 HydrophobicContact CZ2-SD 4.19Å; W216-I228 HydrophobicContact CH2-CD1 3.56Å; W216-I228 HydrophobicContact CZ3-CD1 3.55Å; W216-I228 HydrophobicContact CZ3-CG2 4.47Å; W216-F236 HydrophobicContact CB-CE2 4.42Å; W216-F236 HydrophobicContact CB-CZ 4.38Å; W216-F236 AromaticContact CE3-CD2 3.66Å; W216-F236 HydrophobicContact CE3-CD2 3.66Å; W216-F236 AromaticContact CE3-CE2 3.61Å; W216-F236 HydrophobicContact CE3-CE2 3.61Å; W216-F236 HydrophobicContact CE3-CG 4.3Å; W216-F236 HydrophobicContact CE3-CZ 4.21Å; W216-F236 AromaticContact CZ3-CD2 3.91Å; W216-F236 HydrophobicContact CZ3-CD2 3.91Å; W216-F236 HydrophobicContact CZ3-CE2 4.34Å; W216-F236 HydrophobicContact CZ3-CG 4.33Å
217G84.6Confident84.1Confident2 Ų251.3 Ų51.32%0.02126%0.263CS..  trans-90.7-25.8-169.600000116.6L215 I237 W241L215-G217 PolarHBondContact O-N 2.65Å; G217-I237 PolarHBondContact N-O 2.83Å; G217-W241 PolarHBondContact O-NE1 3.48Å; G217-W241 VanDerWaalsContact O-NE1 3.16Å
218D84.8Confident83.4Confident5 Ų549 Ų493%0.02725%0.249CC..  trans-90.5121.8179.4-175.82.3000110.1Y120 W216 R220 T221Y120-D218 VanDerWaalsContact CB-OD2 3.23Å; Y120-D218 WeakPolarHBondContact CB-OD2 3.32Å; Y120-D218 PolarHBondContact N-OD2 2.94Å; W216-D218 HydrophobicContact CZ2-CB 4.18Å; W216-D218 PolarHBondContact NE1-O 3.25Å; D218-R220 PolarHBondContact OD1-N 3.45Å; D218-T221 WeakPolarHBondContact CB-OG1 3.25Å; D218-T221 WeakPolarHBondContact OD2-CG2 3.48Å; D218-T221 PolarHBondContact OD2-OG1 3.03Å
219W81.8Confident82.4Confident143 Ų14352.3 Ų52.354%0.54226%0.259SS..SBendtrans-81.2-16.1-17866.4-86.4000113.4Y115Y115-W219 HydrophobicContact CD1-CZ2 4.01Å; Y115-W219 AromaticContact CD1-NE1 3.84Å; Y115-W219 AromaticContact CE1-CE2 3.82Å; Y115-W219 AromaticContact CE1-CZ2 3.93Å; Y115-W219 HydrophobicContact CE1-CZ2 3.93Å; Y115-W219 AromaticContact CE1-NE1 3.59Å; Y115-W219 AromaticContact CZ-NE1 3.92Å
220R82.4Confident81.8Confident94 Ų9457.5 Ų57.536%0.35529%0.286SS..SBendtrans-88.6-17.4-176.3-62-175.1-178.6134.8-5.5113.7Y115 A117 D218Y115-R220 PolarHBondContact O-NH2 3.26Å; A117-R220 PolarHBondContact O-NH1 3.34Å; D218-R220 PolarHBondContact OD1-N 3.45Å
221T80.7Confident81.4Confident27 Ų2759.3 Ų59.317%0.16630%0.299CS..SBendtrans-128146-172.257.10000109.1P119 W216 D218 M226P119-T221 HydrophobicContact CB-CG2 4.01Å; W216-T221 PolarHBondContact NE1-O 2.89Å; D218-T221 WeakPolarHBondContact CB-OG1 3.25Å; D218-T221 WeakPolarHBondContact OD2-CG2 3.48Å; D218-T221 PolarHBondContact OD2-OG1 3.03Å; T221-M226 WeakPolarHBondContact OG1-CE 3.47Å
222S80.8Confident80.7Confident40 Ų4057.6 Ų57.628%0.2831%0.305SS..  trans-100.1140173.3720000110.8A224 E225 M226S222-A224 PolarHBondContact O-N 2.82Å; S222-E225 PolarHBondContact N-OE2 2.79Å; S222-E225 CarbonylContact O-C 3.55Å; S222-E225 WeakPolarHBondContact O-CA 3.38Å; S222-E225 WeakPolarHBondContact O-CB 3.41Å; S222-E225 PolarHBondContact O-N 3.15Å; S222-E225 VanDerWaalsContact OG-CB 3.23Å; S222-E225 WeakPolarHBondContact OG-CB 3.32Å; S222-E225 WeakPolarHBondContact OG-CG 3.44Å; S222-E225 PolarHBondContact OG-N 3.05Å; S222-E225 PolarHBondContact OG-OE2 3.14Å; S222-M226 WeakPolarHBondContact O-CE 3.4Å; S222-M226 PolarHBondContact O-N 3.29Å
223P80.2Confident80.1Confident40 Ų4054.8 Ų54.826%0.2629%0.291SS..SBendtrans-61.6-33.3-179.323.3-32.3000112.2W216 E225 M226 G227 I228W216-P223 HydrophobicContact CB-CG 4.19Å; W216-P223 HydrophobicContact CD2-CB 3.94Å; W216-P223 HydrophobicContact CD2-CG 4.22Å; W216-P223 HydrophobicContact CE3-CB 3.87Å; W216-P223 HydrophobicContact CG-CB 4.3Å; W216-P223 HydrophobicContact CG-CG 4.05Å; W216-P223 HydrophobicContact CZ3-CB 4.33Å; P223-E225 VanDerWaalsContact C-N 3.29Å; P223-E225 PolarHBondContact O-N 3.13Å; P223-M226 CarbonylContact O-C 3.57Å; P223-M226 WeakPolarHBondContact O-CA 3.33Å; P223-M226 PolarHBondContact O-N 2.91Å; P223-G227 PolarHBondContact O-N 3.25Å; P223-I228 HydrophobicContact CB-CB 4.06Å; P223-I228 HydrophobicContact CB-CG2 4.43Å; P223-I228 PolarHBondContact O-N 3.23Å
224A75Confident79.4Confident72 Ų7255.5 Ų55.560%0.59530%0.296SS*.G310 helixtrans-62.9-37.3174.400000111.7S222 M226 G227S222-A224 PolarHBondContact O-N 2.82Å; A224-M226 PolarHBondContact O-N 3.14Å; A224-M226 VanDerWaalsContact O-N 3.1Å; A224-G227 PolarHBondContact O-N 3.47Å; A224-G227 VanDerWaalsContact O-N 3.15Å
225E69.9Low79.1Confident111 Ų11151.4 Ų51.452%0.51928%0.281SS..G310 helixtrans-739.9171-70.5164.4164.300113.3S222 P223 F460S222-E225 PolarHBondContact N-OE2 2.79Å; S222-E225 CarbonylContact O-C 3.55Å; S222-E225 WeakPolarHBondContact O-CA 3.38Å; S222-E225 WeakPolarHBondContact O-CB 3.41Å; S222-E225 PolarHBondContact O-N 3.15Å; S222-E225 VanDerWaalsContact OG-CB 3.23Å; S222-E225 WeakPolarHBondContact OG-CB 3.32Å; S222-E225 WeakPolarHBondContact OG-CG 3.44Å; S222-E225 PolarHBondContact OG-N 3.05Å; S222-E225 PolarHBondContact OG-OE2 3.14Å; P223-E225 VanDerWaalsContact C-N 3.29Å; P223-E225 PolarHBondContact O-N 3.13Å; E225-F460 HydrophobicContact CB-CD1 4.48Å; E225-F460 HydrophobicContact CB-CE1 3.51Å; E225-F460 HydrophobicContact CB-CZ 4.03Å; E225-F460 HydrophobicContact CG-CE1 3.95Å; E225-F460 WeakPolarHBondContact O-CE1 3.25Å; E225-F460 VanDerWaalsContact O-CE2 3.27Å; E225-F460 WeakPolarHBondContact O-CE2 3.16Å; E225-F460 WeakPolarHBondContact O-CZ 3.47Å
226M70.1Confident78.9Confident22 Ų2247.9 Ų47.911%0.10826%0.262CS..G310 helixtrans-129.19.4172.3-79.7174.7-72.100110.5Y120 V122 W216 T221 S222 P223 A224 I228Y120-M226 HydrophobicContact CD1-SD 4.17Å; V122-M226 HydrophobicContact CG2-CB 3.5Å; V122-M226 VanDerWaalsContact CG2-CB 3.5Å; V122-M226 HydrophobicContact CG2-CG 3.52Å; V122-M226 HydrophobicContact CG2-SD 3.73Å; W216-M226 HydrophobicContact CH2-CE 3.73Å; W216-M226 HydrophobicContact CH2-SD 4.36Å; W216-M226 HydrophobicContact CZ2-CE 3.22Å; W216-M226 HydrophobicContact CZ2-SD 4.19Å; T221-M226 WeakPolarHBondContact OG1-CE 3.47Å; S222-M226 WeakPolarHBondContact O-CE 3.4Å; S222-M226 PolarHBondContact O-N 3.29Å; P223-M226 CarbonylContact O-C 3.57Å; P223-M226 WeakPolarHBondContact O-CA 3.33Å; P223-M226 PolarHBondContact O-N 2.91Å; A224-M226 PolarHBondContact O-N 3.14Å; A224-M226 VanDerWaalsContact O-N 3.1Å; M226-I228 HydrophobicContact CB-CD1 3.88Å; M226-I228 HydrophobicContact CB-CG1 3.97Å; M226-I228 PolarHBondContact O-N 3.27Å
227G70.4Confident78.9Confident4 Ų446.2 Ų46.24%0.04126%0.256CS..THydrogen-bonded Turntrans65.912-173.200000114.5P223 A224 D229 K478P223-G227 PolarHBondContact O-N 3.25Å; A224-G227 PolarHBondContact O-N 3.47Å; A224-G227 VanDerWaalsContact O-N 3.15Å; G227-D229 PolarHBondContact O-N 3.14Å; G227-K478 VanDerWaalsContact C-NZ 3.28Å; G227-K478 PolarHBondContact O-NZ 3.19Å
228I77Confident79Confident6 Ų646.2 Ų46.23%0.03126%0.256CS..  trans-82.4107.2-175.1-59.3172.1000109.2V122 W216 P223 M226 D233 R235 F236V122-I228 HydrophobicContact CG2-CD1 4.42Å; W216-I228 HydrophobicContact CH2-CD1 3.56Å; W216-I228 HydrophobicContact CZ3-CD1 3.55Å; W216-I228 HydrophobicContact CZ3-CG2 4.47Å; P223-I228 HydrophobicContact CB-CB 4.06Å; P223-I228 HydrophobicContact CB-CG2 4.43Å; P223-I228 PolarHBondContact O-N 3.23Å; M226-I228 HydrophobicContact CB-CD1 3.88Å; M226-I228 HydrophobicContact CB-CG1 3.97Å; M226-I228 PolarHBondContact O-N 3.27Å; I228-D233 HydrophobicContact CG2-CB 3.9Å; I228-R235 HydrophobicContact CD1-CB 4.47Å; I228-F236 HydrophobicContact CG2-CB 4.42Å; I228-F236 HydrophobicContact CG2-CD2 3.82Å
229D71.1Confident79.3Confident102 Ų10247.9 Ų47.955%0.54526%0.264SS..  trans-82.7-37.7-173.5-57.5-35.8000113.1G227G227-D229 PolarHBondContact O-N 3.14Å
230N79.1Confident79.8Confident117 Ų11741.2 Ų41.263%0.62624%0.238SC*.SBendtrans-142158.2-170-79.3-32.7000113.1A232 D233N230-A232 PolarHBondContact O-N 2.88Å; N230-A232 VanDerWaalsContact O-N 3.08Å; N230-D233 WeakPolarHBondContact O-CB 3.45Å; N230-D233 PolarHBondContact O-N 3.37Å
231S80.1Confident80.3Confident39 Ų3938.1 Ų38.127%0.27323%0.227SC..THydrogen-bonded Turntrans-67.3-5.7175.369.70000114.6
232A76.9Confident80.9Confident73 Ų7338.9 Ų38.960%0.60323%0.229SC*.THydrogen-bonded Turntrans-85-12.2172.900000112.6N230N230-A232 PolarHBondContact O-N 2.88Å; N230-A232 VanDerWaalsContact O-N 3.08Å
233D78.6Confident81.4Confident17 Ų1737.4 Ų37.49%0.09122%0.221CC..SBendtrans-61.3129.8176-171.8-39.5000109.5I228 N230 R235 F236 K478I228-D233 HydrophobicContact CG2-CB 3.9Å; N230-D233 WeakPolarHBondContact O-CB 3.45Å; N230-D233 PolarHBondContact O-N 3.37Å; D233-R235 PolarHBondContact O-N 3.44Å; D233-R235 VanDerWaalsContact O-N 3.11Å; D233-R235 WeakPolarHBondContact OD1-CB 3.41Å; D233-R235 PolarHBondContact OD1-N 3.41Å; D233-R235 IonicContact OD1-NE 3.87Å; D233-R235 PolarHBondContact OD1-NE 2.58Å; D233-R235 IonicContact OD2-NE 2.73Å; D233-R235 IonicContact OD2-NH2 3.34Å; D233-R235 PolarHBondContact OD2-NH2 3.42Å; D233-F236 HydrophobicContact CB-CB 4.35Å; D233-F236 WeakPolarHBondContact O-CB 3.43Å; D233-F236 PolarHBondContact O-N 2.79Å; D233-K478 WeakPolarHBondContact OD2-CE 3.5Å; D233-K478 IonicContact OD2-NZ 3.06Å; D233-K478 PolarHBondContact OD2-NZ 3.17Å
234P76.9Confident82.2Confident21 Ų2135.5 Ų35.514%0.13621%0.208CC..THydrogen-bonded Turntrans-56.3-28.5179.117.7-30.3000114K56 F236 F432 P434 Y480K56-P234 VanDerWaalsContact CE-O 3.29Å; K56-P234 WeakPolarHBondContact CE-O 3.21Å; K56-P234 PolarHBondContact NZ-O 2.93Å; P234-F236 VanDerWaalsContact C-N 3.29Å; P234-F432 HydrophobicContact CB-CE1 4.3Å; P234-F432 HydrophobicContact CG-CE1 4.43Å; P234-P434 HydrophobicContact CG-CG 3.46Å; P234-P434 VanDerWaalsContact CG-CG 3.46Å; P234-Y480 HydrophobicContact CB-CE2 3.63Å; P234-Y480 HydrophobicContact CG-CD2 4.2Å; P234-Y480 HydrophobicContact CG-CE2 3.53Å
235R81.4Confident83.2Confident16 Ų1633.1 Ų33.16%0.0619%0.186CC..THydrogen-bonded Turntrans-81.8-9.2179.1-62.3175.8-69.6-165.5-21.4113.6Y120 V122 I228 D233 I237 F432 N433Y120-R235 PolarHBondContact OH-O 2.87Å; V122-R235 HydrophobicContact CG1-CB 3.97Å; V122-R235 HydrophobicContact CG1-CG 4.33Å; I228-R235 HydrophobicContact CD1-CB 4.47Å; D233-R235 PolarHBondContact O-N 3.44Å; D233-R235 VanDerWaalsContact O-N 3.11Å; D233-R235 WeakPolarHBondContact OD1-CB 3.41Å; D233-R235 PolarHBondContact OD1-N 3.41Å; D233-R235 IonicContact OD1-NE 3.87Å; D233-R235 PolarHBondContact OD1-NE 2.58Å; D233-R235 IonicContact OD2-NE 2.73Å; D233-R235 IonicContact OD2-NH2 3.34Å; D233-R235 PolarHBondContact OD2-NH2 3.42Å; R235-I237 PolarHBondContact O-N 2.74Å; R235-F432 WeakPolarHBondContact CD-O 3.37Å; R235-N433 VanDerWaalsContact CZ-CG 3.48Å; R235-N433 PolarHBondContact NH1-ND2 3.24Å; R235-N433 PolarHBondContact NH1-OD1 3.38Å; R235-N433 PolarHBondContact NH2-OD1 3.42Å
236F86.4Confident84.4Confident17 Ų1731.8 Ų31.88%0.07519%0.185CC..  trans-64.3128.4-180-170.6-86.8000110.6K56 L213 R214 W216 I228 D233 P234K56-F236 PolarHBondContact NZ-O 3.04Å; L213-F236 VanDerWaalsContact O-CE1 3.32Å; L213-F236 WeakPolarHBondContact O-CE1 3.38Å; R214-F236 WeakPolarHBondContact O-CZ 3.11Å; W216-F236 HydrophobicContact CB-CE2 4.42Å; W216-F236 HydrophobicContact CB-CZ 4.38Å; W216-F236 AromaticContact CE3-CD2 3.66Å; W216-F236 HydrophobicContact CE3-CD2 3.66Å; W216-F236 AromaticContact CE3-CE2 3.61Å; W216-F236 HydrophobicContact CE3-CE2 3.61Å; W216-F236 HydrophobicContact CE3-CG 4.3Å; W216-F236 HydrophobicContact CE3-CZ 4.21Å; W216-F236 AromaticContact CZ3-CD2 3.91Å; W216-F236 HydrophobicContact CZ3-CD2 3.91Å; W216-F236 HydrophobicContact CZ3-CE2 4.34Å; W216-F236 HydrophobicContact CZ3-CG 4.33Å; I228-F236 HydrophobicContact CG2-CB 4.42Å; I228-F236 HydrophobicContact CG2-CD2 3.82Å; D233-F236 HydrophobicContact CB-CB 4.35Å; D233-F236 WeakPolarHBondContact O-CB 3.43Å; D233-F236 PolarHBondContact O-N 2.79Å; P234-F236 VanDerWaalsContact C-N 3.29Å
237I88.2Confident85.6Confident3 Ų331.9 Ų31.92%0.01519%0.188CC..  trans-107.4116.6171.9-62-178.6000107.2K56 R57 Y120 G217 R235K56-I237 HydrophobicContact CB-CD1 3.97Å; K56-I237 HydrophobicContact CB-CG1 3.82Å; K56-I237 HydrophobicContact CD-CG1 4.45Å; R57-I237 HydrophobicContact CB-CD1 3.95Å; Y120-I237 HydrophobicContact CD1-CD1 4Å; Y120-I237 HydrophobicContact CD2-CD1 3.58Å; Y120-I237 HydrophobicContact CE1-CD1 3.67Å; Y120-I237 HydrophobicContact CE1-CG1 4.05Å; Y120-I237 HydrophobicContact CE2-CD1 3.26Å; Y120-I237 HydrophobicContact CE2-CG1 4.33Å; Y120-I237 HydrophobicContact CG-CD1 3.94Å; G217-I237 PolarHBondContact N-O 2.83Å; R235-I237 PolarHBondContact O-N 2.74Å
238G87.9Confident86.9Confident2 Ų231.7 Ų31.72%0.02119%0.186CC..BIsolated β-bridgetrans-73.9159.817600000112L213 L215 W240L213-G238 WeakPolarHBondContact O-CA 3.06Å; L215-G238 CarbonylContact O-C 3.36Å; L215-G238 WeakPolarHBondContact O-CA 3.47Å; G238-W240 PolarHBondContact O-N 3.22Å
239M90.9Very high87.8Confident40 Ų4037.5 Ų37.520%0.19721%0.211CC..  trans-70.577.1176.4-160.5-173.2-40.600111.5L215 W241 I242L215-M239 HydrophobicContact CB-CB 4.46Å; L215-M239 HydrophobicContact CB-CE 3.61Å; L215-M239 HydrophobicContact CD1-CE 3.95Å; L215-M239 HydrophobicContact CG-CE 4.45Å; L215-M239 PolarHBondContact O-N 2.9Å; M239-W241 HydrophobicContact CG-CZ2 4.17Å; M239-W241 HydrophobicContact SD-CZ2 4.35Å; M239-I242 HydrophobicContact CB-CG2 4.42Å; M239-I242 HydrophobicContact CG-CB 4.06Å; M239-I242 HydrophobicContact CG-CG2 3.94Å; M239-I242 WeakPolarHBondContact O-CG2 2.88Å; M239-I242 HydrophobicContact SD-CB 3.83Å; M239-I242 HydrophobicContact SD-CG1 4.23Å; M239-I242 HydrophobicContact SD-CG2 3.86Å
240W92.1Very high89Confident2 Ų235.7 Ų35.71%0.00820%0.204CC..  trans-76.6-30.4-171.263.9-89.8000113.3I54 F58 V110 E114 L156 L213 G238 F244I54-W240 HydrophobicContact CD1-CE3 3.84Å; I54-W240 HydrophobicContact CD1-CZ3 3.78Å; I54-W240 HydrophobicContact CG1-CD2 3.91Å; I54-W240 HydrophobicContact CG1-CE3 3.63Å; I54-W240 HydrophobicContact CG1-CH2 4.19Å; I54-W240 HydrophobicContact CG1-CZ2 4.45Å; I54-W240 HydrophobicContact CG1-CZ3 3.75Å; F58-W240 HydrophobicContact CE2-CH2 4.05Å; F58-W240 AromaticContact CE2-CZ2 3.7Å; F58-W240 HydrophobicContact CE2-CZ2 3.7Å; F58-W240 HydrophobicContact CZ-CH2 4.43Å; F58-W240 AromaticContact CZ-CZ2 3.97Å; F58-W240 HydrophobicContact CZ-CZ2 3.97Å; V110-W240 HydrophobicContact CG1-CE3 4.41Å; V110-W240 HydrophobicContact CG1-CH2 4.15Å; V110-W240 HydrophobicContact CG1-CZ3 3.46Å; V110-W240 VanDerWaalsContact CG1-CZ3 3.46Å; V110-W240 WeakPolarHBondContact O-CH2 3.23Å; E114-W240 HydrophobicContact CB-CZ2 4.12Å; E114-W240 PolarHBondContact OE2-NE1 3.34Å; L156-W240 HydrophobicContact CD2-CH2 4.37Å; L213-W240 HydrophobicContact CD2-CB 3.97Å; G238-W240 PolarHBondContact O-N 3.22Å; W240-F244 HydrophobicContact CE3-CE2 4.32Å; W240-F244 WeakPolarHBondContact O-CD2 3.48Å
241W92.7Very high89.8Confident30 Ų3030.1 Ų30.111%0.11417%0.174CC..SBendtrans-80.7-25.3-173.156.6-98.1000114.2I111 G217 M239 G243 F244 V245I111-W241 HydrophobicContact CD1-CD2 4.18Å; I111-W241 HydrophobicContact CD1-CE3 3.51Å; I111-W241 HydrophobicContact CD1-CZ3 3.74Å; I111-W241 HydrophobicContact CG1-CB 4.16Å; I111-W241 HydrophobicContact CG1-CD2 3.96Å; I111-W241 HydrophobicContact CG1-CE3 3.7Å; I111-W241 HydrophobicContact CG1-CG 4.17Å; I111-W241 HydrophobicContact CG1-CZ3 4.42Å; G217-W241 PolarHBondContact O-NE1 3.48Å; G217-W241 VanDerWaalsContact O-NE1 3.16Å; M239-W241 HydrophobicContact CG-CZ2 4.17Å; M239-W241 HydrophobicContact SD-CZ2 4.35Å; W241-G243 VanDerWaalsContact C-N 3.31Å; W241-G243 PolarHBondContact O-N 2.86Å; W241-F244 WeakPolarHBondContact O-CB 3.39Å; W241-F244 PolarHBondContact O-N 3.49Å; W241-F244 VanDerWaalsContact O-N 3.1Å; W241-V245 HydrophobicContact CE3-CG2 3.89Å; W241-V245 HydrophobicContact CZ3-CG2 4.29Å; W241-V245 PolarHBondContact O-N 2.98Å
242I92.6Very high90.5Very high42 Ų4230.4 Ų30.422%0.21517%0.172CC..Hα-helixtrans-62.5-37.8-172.1-169.763000112.6M212 M239 F244 V245 V246M212-I242 HydrophobicContact CB-CG2 4.05Å; M212-I242 HydrophobicContact CG-CG2 4.02Å; M212-I242 HydrophobicContact SD-CG2 4.14Å; M239-I242 HydrophobicContact CB-CG2 4.42Å; M239-I242 HydrophobicContact CG-CB 4.06Å; M239-I242 HydrophobicContact CG-CG2 3.94Å; M239-I242 WeakPolarHBondContact O-CG2 2.88Å; M239-I242 HydrophobicContact SD-CB 3.83Å; M239-I242 HydrophobicContact SD-CG1 4.23Å; M239-I242 HydrophobicContact SD-CG2 3.86Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 3.35Å; I242-V245 PolarHBondContact O-N 3.42Å; I242-V246 HydrophobicContact CD1-CG2 4.45Å; I242-V246 HydrophobicContact CG1-CG2 4.35Å; I242-V246 WeakPolarHBondContact O-CG2 3.12Å; I242-V246 PolarHBondContact O-N 2.9Å
243G93.2Very high91.4Very high10 Ų1034.6 Ų34.610%0.10318%0.177CC..Hα-helixtrans-59.4-40.5177.100000111.7L46 W241 C247L46-G243 VanDerWaalsContact CD1-C 3.45Å; L46-G243 WeakPolarHBondContact CD1-O 3.44Å; W241-G243 VanDerWaalsContact C-N 3.31Å; W241-G243 PolarHBondContact O-N 2.86Å; G243-C247 VanDerWaalsContact O-CB 3.3Å; G243-C247 WeakPolarHBondContact O-CB 3.28Å; G243-C247 PolarHBondContact O-N 2.95Å; G243-C247 PolarHBondContact O-SG 3.45Å; G243-C247 VanDerWaalsContact O-SG 3.41Å
244F95.8Very high92.1Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-67.7-38.1178.6-69.1-81000112.4I42 L46 V47 S50 S107 V110 W240 W241 I242 G248I42-F244 HydrophobicContact CG2-CD1 4.23Å; I42-F244 HydrophobicContact CG2-CE1 4.29Å; L46-F244 HydrophobicContact CB-CD1 3.98Å; L46-F244 HydrophobicContact CB-CD2 4.35Å; L46-F244 HydrophobicContact CB-CE1 3.47Å; L46-F244 VanDerWaalsContact CB-CE1 3.47Å; L46-F244 HydrophobicContact CB-CE2 3.9Å; L46-F244 HydrophobicContact CB-CG 4.4Å; L46-F244 HydrophobicContact CB-CZ 3.44Å; L46-F244 VanDerWaalsContact CB-CZ 3.44Å; L46-F244 HydrophobicContact CD1-CB 4.38Å; L46-F244 HydrophobicContact CD1-CD1 3.71Å; L46-F244 HydrophobicContact CD1-CD2 4.42Å; L46-F244 HydrophobicContact CD1-CE1 4.09Å; L46-F244 HydrophobicContact CD1-CG 3.9Å; L46-F244 HydrophobicContact CG-CE1 4.43Å; V47-F244 HydrophobicContact CG2-CE1 4.02Å; V47-F244 HydrophobicContact CG2-CZ 4.09Å; S50-F244 WeakPolarHBondContact OG-CE2 3.45Å; S107-F244 WeakPolarHBondContact O-CB 3.39Å; S107-F244 PolarHBondContact OG-O 2.89Å; V110-F244 HydrophobicContact CB-CB 4.21Å; V110-F244 HydrophobicContact CB-CD1 4.39Å; V110-F244 HydrophobicContact CB-CD2 4.49Å; V110-F244 HydrophobicContact CB-CG 4.14Å; V110-F244 HydrophobicContact CG1-CB 4.35Å; V110-F244 HydrophobicContact CG1-CD1 4.28Å; V110-F244 HydrophobicContact CG1-CD2 3.76Å; V110-F244 HydrophobicContact CG1-CE1 4.5Å; V110-F244 HydrophobicContact CG1-CE2 4Å; V110-F244 HydrophobicContact CG1-CG 3.89Å; V110-F244 HydrophobicContact CG1-CZ 4.35Å; V110-F244 HydrophobicContact CG2-CD1 4.05Å; V110-F244 HydrophobicContact CG2-CE1 4.39Å; V110-F244 HydrophobicContact CG2-CG 4.31Å; W240-F244 HydrophobicContact CE3-CE2 4.32Å; W240-F244 WeakPolarHBondContact O-CD2 3.48Å; W241-F244 WeakPolarHBondContact O-CB 3.39Å; W241-F244 PolarHBondContact O-N 3.49Å; W241-F244 VanDerWaalsContact O-N 3.1Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 3.35Å; F244-G248 WeakPolarHBondContact O-CA 3.3Å; F244-G248 PolarHBondContact O-N 3.32Å
245V95.6Very high92.9Very high22 Ų2233.9 Ų33.913%0.13317%0.173CC..Hα-helixtrans-66.5-49.5177.5177.90000110.6I111 W241 I242 G248 F249I111-V245 HydrophobicContact CB-CG2 4.15Å; I111-V245 HydrophobicContact CD1-CG2 3.75Å; I111-V245 HydrophobicContact CG1-CG2 4.16Å; W241-V245 HydrophobicContact CE3-CG2 3.89Å; W241-V245 HydrophobicContact CZ3-CG2 4.29Å; W241-V245 PolarHBondContact O-N 2.98Å; I242-V245 PolarHBondContact O-N 3.42Å; V245-G248 PolarHBondContact O-N 3.43Å; V245-F249 HydrophobicContact CG1-CD2 3.73Å; V245-F249 HydrophobicContact CG1-CE2 3.53Å; V245-F249 VanDerWaalsContact O-CD2 3.26Å; V245-F249 WeakPolarHBondContact O-CD2 3.37Å; V245-F249 PolarHBondContact O-N 3.24Å
246V95.6Very high93.3Very high82 Ų8238.3 Ų38.350%0.49719%0.193SC..Hα-helixtrans-61-51.7179.4173.40000110.4I242 G248 F249 V250I242-V246 HydrophobicContact CD1-CG2 4.45Å; I242-V246 HydrophobicContact CG1-CG2 4.35Å; I242-V246 WeakPolarHBondContact O-CG2 3.12Å; I242-V246 PolarHBondContact O-N 2.9Å; V246-G248 VanDerWaalsContact C-N 3.25Å; V246-G248 PolarHBondContact O-N 2.9Å; V246-F249 PolarHBondContact O-N 3.1Å; V246-V250 VanDerWaalsContact O-CG2 3.27Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.35Å
247C95.9Very high93.5Very high24 Ų2438.9 Ų38.916%0.16220%0.198CC..Hα-helixtrans-62.2-33.8177.3-720000112.3I42 L46 G243 A251I42-C247 HydrophobicContact CD1-CB 4.01Å; I42-C247 HydrophobicContact CG1-CB 3.7Å; L46-C247 HydrophobicContact CD1-CB 4.19Å; G243-C247 VanDerWaalsContact O-CB 3.3Å; G243-C247 WeakPolarHBondContact O-CB 3.28Å; G243-C247 PolarHBondContact O-N 2.95Å; G243-C247 PolarHBondContact O-SG 3.45Å; G243-C247 VanDerWaalsContact O-SG 3.41Å; C247-A251 VanDerWaalsContact O-CB 3.22Å; C247-A251 WeakPolarHBondContact O-CB 3.37Å; C247-A251 PolarHBondContact O-N 2.8Å
248G96.4Very high93.5Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-65-47.9176.900000113.1F244 V245 V246 A251 L252F244-G248 WeakPolarHBondContact O-CA 3.3Å; F244-G248 PolarHBondContact O-N 3.32Å; V245-G248 PolarHBondContact O-N 3.43Å; V246-G248 VanDerWaalsContact C-N 3.25Å; V246-G248 PolarHBondContact O-N 2.9Å; G248-A251 PolarHBondContact O-N 3.46Å; G248-L252 WeakPolarHBondContact O-CG 3.47Å; G248-L252 PolarHBondContact O-N 2.91Å
249F97Very high93.6Very high128 Ų12839.6 Ų39.656%0.56120%0.202SC*.Hα-helixtrans-64.2-41.7175.1-79.6-65.3000112.5I108 V245 V246 A251 L252 F253I108-F249 HydrophobicContact CD1-CD1 4.25Å; I108-F249 HydrophobicContact CD1-CD2 4.46Å; I108-F249 HydrophobicContact CD1-CE1 4.2Å; I108-F249 HydrophobicContact CD1-CE2 4.41Å; I108-F249 HydrophobicContact CD1-CG 4.37Å; I108-F249 HydrophobicContact CD1-CZ 4.28Å; V245-F249 HydrophobicContact CG1-CD2 3.73Å; V245-F249 HydrophobicContact CG1-CE2 3.53Å; V245-F249 VanDerWaalsContact O-CD2 3.26Å; V245-F249 WeakPolarHBondContact O-CD2 3.37Å; V245-F249 PolarHBondContact O-N 3.24Å; V246-F249 PolarHBondContact O-N 3.1Å; F249-A251 VanDerWaalsContact C-N 3.32Å; F249-A251 PolarHBondContact O-N 2.91Å; F249-L252 PolarHBondContact O-N 2.88Å; F249-F253 WeakPolarHBondContact O-CB 3.48Å; F249-F253 PolarHBondContact O-N 2.8Å
250V96.2Very high93.5Very high64 Ų6438.6 Ų38.639%0.38820%0.197SC..Hα-helixtrans-63.4-41.6176.2179.80000110.3L38 V246 L252 F253 T254L38-V250 HydrophobicContact CD1-CB 4.44Å; L38-V250 HydrophobicContact CD1-CG1 3.75Å; L38-V250 HydrophobicContact CD2-CB 4.14Å; L38-V250 HydrophobicContact CD2-CG1 3.85Å; L38-V250 HydrophobicContact CG-CG1 4.42Å; V246-V250 VanDerWaalsContact O-CG2 3.27Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.35Å; V250-L252 PolarHBondContact O-N 3.28Å; V250-F253 PolarHBondContact O-N 3.17Å; V250-T254 HydrophobicContact CG1-CG2 4.25Å; V250-T254 WeakPolarHBondContact O-CG2 3.49Å; V250-T254 PolarHBondContact O-N 3.47Å; V250-T254 PolarHBondContact O-OG1 3.38Å; V250-T254 VanDerWaalsContact O-OG1 3.08Å
251A95.3Very high93.2Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-62.3-41.9175.900000112.4L38 M100 C247 G248 F249 F253 T254 A255L38-A251 HydrophobicContact CD1-CB 4.37Å; M100-A251 HydrophobicContact CE-CB 4.48Å; C247-A251 VanDerWaalsContact O-CB 3.22Å; C247-A251 WeakPolarHBondContact O-CB 3.37Å; C247-A251 PolarHBondContact O-N 2.8Å; G248-A251 PolarHBondContact O-N 3.46Å; F249-A251 VanDerWaalsContact C-N 3.32Å; F249-A251 PolarHBondContact O-N 2.91Å; A251-F253 VanDerWaalsContact C-N 3.32Å; A251-F253 PolarHBondContact O-N 3.36Å; A251-T254 WeakPolarHBondContact CA-OG1 3.28Å; A251-T254 PolarHBondContact O-N 3.13Å; A251-T254 PolarHBondContact O-OG1 3.5Å; A251-A255 WeakPolarHBondContact O-CB 3.29Å; A251-A255 PolarHBondContact O-N 3.48Å
252L95.6Very high92.8Very high45 Ų4537.3 Ų37.324%0.23619%0.193CC..Hα-helixtrans-59.9-44173.6-72.4174.6000111.6M101 I105 I108 G248 F249 V250 A255 F256M101-L252 HydrophobicContact CB-CD2 4.3Å; M101-L252 WeakPolarHBondContact O-CD2 3.38Å; I105-L252 HydrophobicContact CG1-CD2 4.2Å; I108-L252 HydrophobicContact CD1-CD1 3.81Å; G248-L252 WeakPolarHBondContact O-CG 3.47Å; G248-L252 PolarHBondContact O-N 2.91Å; F249-L252 PolarHBondContact O-N 2.88Å; V250-L252 PolarHBondContact O-N 3.28Å; L252-A255 PolarHBondContact O-N 2.97Å; L252-F256 PolarHBondContact O-N 3.49Å
253F94.7Very high92.3Very high162 Ų16241.3 Ų41.371%0.71121%0.208SC*.Hα-helixtrans-65.7-43.7178.7-176.3-98.2000112.1F249 V250 A251 A255 P257F249-F253 WeakPolarHBondContact O-CB 3.48Å; F249-F253 PolarHBondContact O-N 2.8Å; V250-F253 PolarHBondContact O-N 3.17Å; A251-F253 VanDerWaalsContact C-N 3.32Å; A251-F253 PolarHBondContact O-N 3.36Å; F253-A255 VanDerWaalsContact C-N 3.34Å; F253-P257 WeakPolarHBondContact O-CD 3.26Å
254T93.5Very high91.6Very high23 Ų2349 Ų4914%0.14123%0.234CC..Hα-helixtrans-76.2-20.5178.957.40000113.5I31 N35 L38 V250 A251I31-T254 WeakPolarHBondContact CG2-O 3.47Å; N35-T254 PolarHBondContact ND2-O 3.07Å; N35-T254 PolarHBondContact OD1-OG1 2.68Å; L38-T254 HydrophobicContact CD1-CG2 4.13Å; L38-T254 WeakPolarHBondContact CD1-OG1 3.49Å; V250-T254 HydrophobicContact CG1-CG2 4.25Å; V250-T254 WeakPolarHBondContact O-CG2 3.49Å; V250-T254 PolarHBondContact O-N 3.47Å; V250-T254 PolarHBondContact O-OG1 3.38Å; V250-T254 VanDerWaalsContact O-OG1 3.08Å; A251-T254 WeakPolarHBondContact CA-OG1 3.28Å; A251-T254 PolarHBondContact O-N 3.13Å; A251-T254 PolarHBondContact O-OG1 3.5Å
255A93.5Very high91Very high0 Ų049.4 Ų49.40%024%0.236CC..Hα-helixtrans-75.2-32.4174.600000112.4M100 M101 A251 L252 F253 L258 I259M100-A255 HydrophobicContact CB-CB 3.69Å; M101-A255 HydrophobicContact CG-CB 3.72Å; A251-A255 WeakPolarHBondContact O-CB 3.29Å; A251-A255 PolarHBondContact O-N 3.48Å; L252-A255 PolarHBondContact O-N 2.97Å; F253-A255 VanDerWaalsContact C-N 3.34Å; A255-L258 WeakPolarHBondContact O-CB 3.45Å; A255-L258 PolarHBondContact O-N 3.01Å; A255-L258 VanDerWaalsContact O-N 3.07Å; A255-I259 PolarHBondContact O-N 3.34Å
256F91.4Very high90.4Very high108 Ų10854.6 Ų54.647%0.47426%0.257SS..Hα-helixtrans-59.2-46.8-176.5-177.2-99.4000113.5F11 L252 L258 I259 M260F11-F256 AromaticContact CE2-CE2 3.99Å; F11-F256 HydrophobicContact CE2-CE2 3.99Å; F11-F256 HydrophobicContact CE2-CZ 4.07Å; F11-F256 HydrophobicContact CZ-CE2 4.42Å; L252-F256 PolarHBondContact O-N 3.49Å; F256-L258 VanDerWaalsContact C-N 3.3Å; F256-L258 PolarHBondContact O-N 3.37Å; F256-I259 PolarHBondContact O-N 3.5Å; F256-M260 HydrophobicContact CD1-CE 4.09Å; F256-M260 HydrophobicContact CE1-CE 3.19Å; F256-M260 HydrophobicContact CE1-SD 4.12Å; F256-M260 HydrophobicContact CE2-CE 4.35Å; F256-M260 HydrophobicContact CZ-CE 3.35Å
257P89.5Confident89.8Confident29 Ų2951.9 Ų51.919%0.18824%0.24CC..Hα-helixtrans-57.5-38.7172.3-26.834.6000113.5I31 F253 I259 M260 F261I31-P257 HydrophobicContact CD1-CB 3.92Å; I31-P257 HydrophobicContact CG2-CB 4.5Å; F253-P257 WeakPolarHBondContact O-CD 3.26Å; P257-I259 PolarHBondContact O-N 3.29Å; P257-M260 WeakPolarHBondContact O-CB 3.37Å; P257-M260 PolarHBondContact O-N 2.99Å; P257-F261 HydrophobicContact CB-CE2 4.47Å; P257-F261 WeakPolarHBondContact O-CD2 3.48Å; P257-F261 PolarHBondContact O-N 3.31Å
258L88.9Confident89Confident1 Ų151.5 Ų51.51%0.00524%0.237CC..Hα-helixtrans-58.9-34.2-178.8-71.7175.7000112.6F28 I31 N35 V93 I96 A255 F256 M260 F261F28-L258 HydrophobicContact CD2-CD2 4.44Å; F28-L258 HydrophobicContact CE2-CD2 4.27Å; I31-L258 HydrophobicContact CB-CD2 4.41Å; I31-L258 HydrophobicContact CG2-CD1 4.32Å; I31-L258 HydrophobicContact CG2-CD2 3.7Å; I31-L258 HydrophobicContact CG2-CG 3.67Å; N35-L258 HydrophobicContact CB-CD1 4.44Å; N35-L258 VanDerWaalsContact ND2-CD1 3.34Å; N35-L258 WeakPolarHBondContact ND2-CD1 2.99Å; V93-L258 WeakPolarHBondContact CG1-O 3.48Å; I96-L258 HydrophobicContact CG2-CD1 4.06Å; A255-L258 WeakPolarHBondContact O-CB 3.45Å; A255-L258 PolarHBondContact O-N 3.01Å; A255-L258 VanDerWaalsContact O-N 3.07Å; F256-L258 VanDerWaalsContact C-N 3.3Å; F256-L258 PolarHBondContact O-N 3.37Å; L258-M260 VanDerWaalsContact C-N 3.31Å; L258-M260 PolarHBondContact O-N 3.17Å; L258-F261 HydrophobicContact CD2-CD2 4.39Å; L258-F261 PolarHBondContact O-N 2.93Å
259I89.8Confident88.3Confident20 Ų2055.8 Ų55.810%0.10326%0.263CS..Hα-helixtrans-73.1-28.2179.6-60.1172.5000111.6F11 L98 M101 A255 F256 P257 F261F11-I259 HydrophobicContact CE1-CG2 3.73Å; F11-I259 HydrophobicContact CZ-CB 4.48Å; F11-I259 HydrophobicContact CZ-CG2 3.84Å; L98-I259 HydrophobicContact CD2-CD1 4.03Å; L98-I259 HydrophobicContact CG-CD1 4.43Å; M101-I259 HydrophobicContact CG-CD1 4.04Å; M101-I259 HydrophobicContact SD-CD1 3.24Å; M101-I259 WeakPolarHBondContact SD-CD1 3.33Å; A255-I259 PolarHBondContact O-N 3.34Å; F256-I259 PolarHBondContact O-N 3.5Å; P257-I259 PolarHBondContact O-N 3.29Å; I259-F261 VanDerWaalsContact C-N 3.33Å
260M88.1Confident87.6Confident18 Ų1855 Ų559%0.08927%0.269CS..Hα-helixtrans-78.4-16.1177.4-66.4-175166.600113.4F9 G10 F11 F256 P257 L258F9-M260 HydrophobicContact CD1-CB 4.34Å; F9-M260 HydrophobicContact CD2-CB 4.19Å; F9-M260 HydrophobicContact CE1-CB 3.84Å; F9-M260 HydrophobicContact CE1-CG 4.47Å; F9-M260 HydrophobicContact CE1-SD 3.74Å; F9-M260 HydrophobicContact CE2-CB 3.67Å; F9-M260 HydrophobicContact CG-CB 4.5Å; F9-M260 HydrophobicContact CZ-CB 3.47Å; F9-M260 VanDerWaalsContact CZ-CB 3.47Å; F9-M260 HydrophobicContact CZ-CG 4.33Å; F9-M260 HydrophobicContact CZ-SD 3.94Å; G10-M260 PolarHBondContact N-O 2.74Å; F11-M260 HydrophobicContact CD2-CE 3.67Å; F11-M260 HydrophobicContact CD2-CG 4.11Å; F11-M260 HydrophobicContact CE2-CE 3.57Å; F11-M260 HydrophobicContact CE2-CG 3.89Å; F256-M260 HydrophobicContact CD1-CE 4.09Å; F256-M260 HydrophobicContact CE1-CE 3.19Å; F256-M260 HydrophobicContact CE1-SD 4.12Å; F256-M260 HydrophobicContact CE2-CE 4.35Å; F256-M260 HydrophobicContact CZ-CE 3.35Å; P257-M260 WeakPolarHBondContact O-CB 3.37Å; P257-M260 PolarHBondContact O-N 2.99Å; L258-M260 VanDerWaalsContact C-N 3.31Å; L258-M260 PolarHBondContact O-N 3.17Å
261F87.1Confident86.8Confident1 Ų154.2 Ų54.20%0.00426%0.258CS..SBendtrans-65.4139.9178.9-86.4-88.9000111.5F9 L22 F28 I31 V93 P257 L258 I259 L265F9-F261 HydrophobicContact CD2-CD1 4.32Å; F9-F261 HydrophobicContact CD2-CD2 4.48Å; F9-F261 HydrophobicContact CD2-CG 4.28Å; F9-F261 HydrophobicContact CE2-CD1 4.37Å; F9-F261 AromaticContact CE2-CD2 3.82Å; F9-F261 HydrophobicContact CE2-CD2 3.82Å; F9-F261 HydrophobicContact CE2-CE1 4.48Å; F9-F261 AromaticContact CE2-CE2 3.92Å; F9-F261 HydrophobicContact CE2-CE2 3.92Å; F9-F261 HydrophobicContact CE2-CG 4.07Å; F9-F261 HydrophobicContact CE2-CZ 4.25Å; L22-F261 WeakPolarHBondContact O-CE1 3.47Å; L22-F261 VanDerWaalsContact O-CZ 3.23Å; L22-F261 WeakPolarHBondContact O-CZ 3.45Å; F28-F261 HydrophobicContact CB-CD1 4.22Å; F28-F261 HydrophobicContact CB-CE1 3.55Å; F28-F261 HydrophobicContact CB-CZ 3.9Å; F28-F261 AromaticContact CD2-CD1 3.96Å; F28-F261 HydrophobicContact CD2-CD1 3.96Å; F28-F261 HydrophobicContact CD2-CD2 4.39Å; F28-F261 HydrophobicContact CD2-CE1 4.02Å; F28-F261 HydrophobicContact CD2-CE2 4.49Å; F28-F261 HydrophobicContact CD2-CG 4.14Å; F28-F261 HydrophobicContact CD2-CZ 4.32Å; F28-F261 HydrophobicContact CG-CE1 4.27Å; I31-F261 HydrophobicContact CD1-CE2 3.77Å; I31-F261 HydrophobicContact CD1-CZ 3.99Å; V93-F261 HydrophobicContact CG1-CB 3.5Å; V93-F261 VanDerWaalsContact CG1-CB 3.5Å; V93-F261 HydrophobicContact CG1-CG 4.38Å; P257-F261 HydrophobicContact CB-CE2 4.47Å; P257-F261 WeakPolarHBondContact O-CD2 3.48Å; P257-F261 PolarHBondContact O-N 3.31Å; L258-F261 HydrophobicContact CD2-CD2 4.39Å; L258-F261 PolarHBondContact O-N 2.93Å; I259-F261 VanDerWaalsContact C-N 3.33Å; F261-L265 HydrophobicContact CD1-CD2 3.57Å; F261-L265 HydrophobicContact CE1-CD2 4.04Å
262P83Confident86.1Confident5 Ų557.2 Ų57.23%0.03227%0.272CS..  trans-70.6166.917630.3-35.9000112.6T7 S23 R264 L265T7-P262 WeakPolarHBondContact O-CB 3.25Å; T7-P262 WeakPolarHBondContact OG1-CB 3.49Å; S23-P262 VanDerWaalsContact OG-CG 3.3Å; S23-P262 WeakPolarHBondContact OG-CG 3.42Å; P262-R264 WeakPolarHBondContact CB-O 3.47Å; P262-R264 WeakPolarHBondContact CG-O 3.06Å; P262-R264 PolarHBondContact O-N 3.32Å; P262-L265 HydrophobicContact CG-CD2 4.49Å
263K81.3Confident85.2Confident126 Ų12658.6 Ų58.655%0.54829%0.289SS..SBendtrans-64-29.7177.7-170.9177.2178.8-179.20112.3F181F181-K263 WeakPolarHBondContact CE1-O 3.5Å
264R79.9Confident84.1Confident172 Ų17257.5 Ų57.565%0.64929%0.291SS*.SBendtrans-133138173.8-70.8-177.1175.1179.2-1.5108.6P262P262-R264 WeakPolarHBondContact CB-O 3.47Å; P262-R264 WeakPolarHBondContact CG-O 3.06Å; P262-R264 PolarHBondContact O-N 3.32Å
265L83.5Confident83.1Confident7 Ų757.7 Ų57.74%0.03729%0.291CS..  trans-77.4153179.5-57.3-179.9000110.5S23 F25 F28 F181 F261 P262 D267 T268S23-L265 VanDerWaalsContact O-CB 3.32Å; S23-L265 WeakPolarHBondContact O-CB 3.34Å; F25-L265 HydrophobicContact CB-CD1 4.08Å; F25-L265 HydrophobicContact CD2-CD1 4.17Å; F28-L265 HydrophobicContact CB-CD1 3.88Å; F28-L265 HydrophobicContact CB-CD2 4.38Å; F28-L265 HydrophobicContact CD1-CD1 4.09Å; F28-L265 HydrophobicContact CG-CD1 4Å; F181-L265 HydrophobicContact CB-CD1 3.98Å; F181-L265 HydrophobicContact CD1-CG 4.43Å; F181-L265 HydrophobicContact CD2-CD1 3.65Å; F181-L265 HydrophobicContact CD2-CG 3.93Å; F181-L265 HydrophobicContact CE2-CD1 4.29Å; F181-L265 HydrophobicContact CE2-CG 4.17Å; F181-L265 HydrophobicContact CG-CD1 3.9Å; F181-L265 HydrophobicContact CG-CG 4.07Å; F261-L265 HydrophobicContact CD1-CD2 3.57Å; F261-L265 HydrophobicContact CE1-CD2 4.04Å; P262-L265 HydrophobicContact CG-CD2 4.49Å; L265-D267 VanDerWaalsContact C-N 3.27Å; L265-D267 PolarHBondContact O-N 3.11Å; L265-T268 WeakPolarHBondContact CB-OG1 3.25Å; L265-T268 PolarHBondContact N-OG1 2.96Å; L265-T268 WeakPolarHBondContact O-CB 3.36Å; L265-T268 PolarHBondContact O-N 3.27Å; L265-T268 PolarHBondContact O-OG1 2.94Å
266K81.9Confident81.5Confident131 Ų13163.4 Ų63.457%0.5733%0.326SS*.THydrogen-bonded Turntrans-62.4-35.4-176.2-173.8-179.9178.8-178.60112.5S23S23-K266 PolarHBondContact O-N 2.79Å; S23-K266 VanDerWaalsContact O-N 3.12Å
267D82.6Confident79.7Confident25 Ų2566.5 Ų66.513%0.13434%0.342CS..THydrogen-bonded Turntrans-91.12.1-177.564.9-24000113.7N24 F25 L265 T269 V270 R271N24-D267 WeakPolarHBondContact CA-OD1 3.06Å; F25-D267 WeakPolarHBondContact CB-OD2 3.46Å; F25-D267 PolarHBondContact N-OD1 3.41Å; F25-D267 PolarHBondContact N-OD2 3.5Å; L265-D267 VanDerWaalsContact C-N 3.27Å; L265-D267 PolarHBondContact O-N 3.11Å; D267-T269 PolarHBondContact O-N 3.31Å; D267-V270 PolarHBondContact O-N 3.29Å; D267-R271 WeakPolarHBondContact O-CB 3.45Å; D267-R271 VanDerWaalsContact O-CG 3.25Å; D267-R271 WeakPolarHBondContact O-CG 3.26Å; D267-R271 PolarHBondContact O-N 3.15Å; D267-R271 IonicContact OD2-CZ 3.15Å; D267-R271 IonicContact OD2-NE 3.28Å; D267-R271 PolarHBondContact OD2-NE 3.21Å; D267-R271 IonicContact OD2-NH2 3.72Å; D267-R271 PolarHBondContact OD2-NH2 3.13Å
268T80.6Confident77.5Confident16 Ų1676.2 Ų76.210%0.09837%0.374CS..Hα-helixtrans-61.3-43.5-177.9-60.20000112.3L265 R271 K272L265-T268 WeakPolarHBondContact CB-OG1 3.25Å; L265-T268 PolarHBondContact N-OG1 2.96Å; L265-T268 WeakPolarHBondContact O-CB 3.36Å; L265-T268 PolarHBondContact O-N 3.27Å; L265-T268 PolarHBondContact O-OG1 2.94Å; T268-R271 PolarHBondContact O-N 3.05Å; T268-K272 HydrophobicContact CG2-CD 4.32Å; T268-K272 WeakPolarHBondContact O-CB 3.31Å; T268-K272 PolarHBondContact O-N 3.31Å
269T80.1Confident75.3Confident91 Ų9179.6 Ų79.656%0.55840%0.395SS*.Hα-helixtrans-61.9-45.9179.750.20000111.5D267 R271 K272 A273D267-T269 PolarHBondContact O-N 3.31Å; T269-R271 PolarHBondContact O-N 3.02Å; T269-K272 PolarHBondContact O-N 2.96Å; T269-A273 PolarHBondContact O-N 3.19Å
270V82.8Confident72.8Confident112 Ų11283.2 Ų83.268%0.67942%0.415SS*.Hα-helixtrans-63.8-41.8177-1790000111.3D267 A273D267-V270 PolarHBondContact O-N 3.29Å; V270-A273 WeakPolarHBondContact O-CB 3.32Å; V270-A273 PolarHBondContact O-N 2.96Å
271R79.8Confident70.5Confident46 Ų4686.9 Ų86.917%0.17445%0.448CS..Hα-helixtrans-67.5-36.2179.4-74.1177.6173.5-107.5-1.9112.7D182 S183 D267 T268 T269D182-R271 IonicContact OD1-NH1 2.83Å; D182-R271 PolarHBondContact OD1-NH1 3.49Å; D182-R271 IonicContact OD2-NH1 3.46Å; S183-R271 WeakPolarHBondContact CB-O 3.34Å; D267-R271 WeakPolarHBondContact O-CB 3.45Å; D267-R271 VanDerWaalsContact O-CG 3.25Å; D267-R271 WeakPolarHBondContact O-CG 3.26Å; D267-R271 PolarHBondContact O-N 3.15Å; D267-R271 IonicContact OD2-CZ 3.15Å; D267-R271 IonicContact OD2-NE 3.28Å; D267-R271 PolarHBondContact OD2-NE 3.21Å; D267-R271 IonicContact OD2-NH2 3.72Å; D267-R271 PolarHBondContact OD2-NH2 3.13Å; T268-R271 PolarHBondContact O-N 3.05Å; T269-R271 PolarHBondContact O-N 3.02Å
272K79.8Confident68.4Low63 Ų6390.3 Ų90.327%0.27447%0.472SS..Hα-helixtrans-91.3-2.7179.9-69.7-163.7162.8-172.40114.4D179 E180 D182 T268 T269 N274 D275D179-K272 PolarHBondContact O-NZ 3.48Å; E180-K272 VanDerWaalsContact C-NZ 3.26Å; E180-K272 WeakPolarHBondContact O-CE 3.1Å; E180-K272 PolarHBondContact O-NZ 3.36Å; D182-K272 WeakPolarHBondContact O-CE 3.49Å; T268-K272 HydrophobicContact CG2-CD 4.32Å; T268-K272 WeakPolarHBondContact O-CB 3.31Å; T268-K272 PolarHBondContact O-N 3.31Å; T269-K272 PolarHBondContact O-N 2.96Å; K272-N274 PolarHBondContact O-N 3.45Å; K272-N274 VanDerWaalsContact O-N 3.07Å; K272-D275 WeakPolarHBondContact O-CB 3.49Å; K272-D275 PolarHBondContact O-N 2.85Å
273A77Confident66.6Low74 Ų7493.7 Ų93.761%0.61249%0.49SS*.THydrogen-bonded Turntrans-55.4-30.8-178.200000114T269 V270T269-A273 PolarHBondContact O-N 3.19Å; V270-A273 WeakPolarHBondContact O-CB 3.32Å; V270-A273 PolarHBondContact O-N 2.96Å
274N71.6Confident64.5Low140 Ų14094 Ų9475%0.74950%0.497SS*.THydrogen-bonded Turntrans-101.24.5-179.4-67-23000113.7K272 V276K272-N274 PolarHBondContact O-N 3.45Å; K272-N274 VanDerWaalsContact O-N 3.07Å; N274-V276 PolarHBondContact O-N 3.4Å
275D73.3Confident62.5Low27 Ų2793.6 Ų93.614%0.14450%0.5CS..  trans-77.8111.3174.5-77.3-5.1000108.1S183 H184 K272 H277S183-D275 WeakPolarHBondContact CA-OD2 3.46Å; S183-D275 WeakPolarHBondContact CB-OD1 3.3Å; S183-D275 PolarHBondContact OG-OD1 3.39Å; H184-D275 IonicContact CD2-OD2 2.81Å; H184-D275 PolarHBondContact N-OD2 3.27Å; H184-D275 VanDerWaalsContact N-OD2 3.13Å; K272-D275 WeakPolarHBondContact O-CB 3.49Å; K272-D275 PolarHBondContact O-N 2.85Å; D275-H277 PolarHBondContact O-N 3.46Å; D275-H277 VanDerWaalsContact O-N 3.1Å
276V59.8Low60.3Low120 Ų120100.3 Ų100.373%0.72754%0.536SS*.  trans-61.6116.4166.3-179.60000105.9N274 R278N274-V276 PolarHBondContact O-N 3.4Å; V276-R278 PolarHBondContact O-N 3.24Å
277H52.4Low58.6Low173 Ų173100.7 Ų100.780%0.80154%0.538SS*.  trans-60.580.6165.2-92.9-74.8000108D275 T279D275-H277 PolarHBondContact O-N 3.46Å; D275-H277 VanDerWaalsContact O-N 3.1Å; H277-T279 PolarHBondContact O-N 3.07Å
278R43.6Very low56.8Low232 Ų232104.4 Ų104.488%0.87557%0.565SS**  trans-75.257.8157.7-99.2-173.8168.2172.8-2.9107.2V276 D280V276-R278 PolarHBondContact O-N 3.24Å; R278-D280 VanDerWaalsContact C-N 3.28Å; R278-D280 PolarHBondContact O-N 3.17Å; R278-D280 VanDerWaalsContact O-N 3.15Å
279T42.4Very low55.1Low72 Ų72110.1 Ų110.144%0.44260%0.595SS.*  trans-70.9100.6153.1-8.10000103.2H277 A281 D284H277-T279 PolarHBondContact O-N 3.07Å; T279-A281 PolarHBondContact O-N 3.17Å; T279-D284 HydrophobicContact CG2-CB 4.34Å
280D37.9Very low54Low97 Ų97111.6 Ų111.652%0.51960%0.596SS.*  trans-49.6116.8155.8-87.2-29.9000104.7R278 S282 L283R278-D280 VanDerWaalsContact C-N 3.28Å; R278-D280 PolarHBondContact O-N 3.17Å; R278-D280 VanDerWaalsContact O-N 3.15Å; D280-S282 PolarHBondContact O-N 3.19Å; D280-L283 HydrophobicContact CB-CD1 4.23Å; D280-L283 PolarHBondContact O-N 3.02Å
281A41Very low52.7Low95 Ų95115.3 Ų115.379%0.78560%0.603SS**THydrogen-bonded Turntrans-55.5-10.9178.800000112.7T279T279-A281 PolarHBondContact O-N 3.17Å
282S42.8Very low51.9Low72 Ų72122.1 Ų122.150%0.50363%0.63SS.*THydrogen-bonded Turntrans-79.4-6170.969.30000116D280 K521D280-S282 PolarHBondContact O-N 3.19Å; S282-K521 PolarHBondContact OG-NZ 2.83Å
283L44Very low51.3Low77 Ų77122.6 Ų122.640%0.40363%0.633SS.*THydrogen-bonded Turntrans-108.9-13.4177.8-80.2164.6000113.3D280 K285 K521D280-L283 HydrophobicContact CB-CD1 4.23Å; D280-L283 PolarHBondContact O-N 3.02Å; L283-K285 PolarHBondContact O-N 3.22Å; L283-K521 HydrophobicContact CD1-CG 4.35Å; L283-K521 HydrophobicContact CD2-CB 4.43Å; L283-K521 HydrophobicContact CD2-CD 4.15Å; L283-K521 HydrophobicContact CD2-CG 4.12Å; L283-K521 HydrophobicContact CG-CD 4.4Å; L283-K521 HydrophobicContact CG-CG 4.49Å
284D37.8Very low50.9Low131 Ų131124.3 Ų124.370%0.70163%0.627SS**  trans-88.643.2176.3-153.829.1000111.1T279T279-D284 HydrophobicContact CG2-CB 4.34Å
285K37Very low51Low165 Ų165124 Ų12472%0.71762%0.619SS**SBendtrans-89.4124.7164.9-86.5-173.9175.2-178.20107.3L283 F287L283-K285 PolarHBondContact O-N 3.22Å; K285-F287 VanDerWaalsContact O-CD2 3.25Å; K285-F287 WeakPolarHBondContact O-CD2 3.17Å; K285-F287 PolarHBondContact O-N 2.96Å
286D37.4Very low51.2Low147 Ų147130.4 Ų130.479%0.78665%0.646SS**  trans-46.6107165.9-96.1-37.5000109.7S288D286-S288 PolarHBondContact O-N 3.18Å
287F46.9Very low51.9Low140 Ų140125.5 Ų125.561%0.61462%0.615SS**THydrogen-bonded Turntrans-72.420.2174.6-76.6-84.2000112.4K285 D289K285-F287 VanDerWaalsContact O-CD2 3.25Å; K285-F287 WeakPolarHBondContact O-CD2 3.17Å; K285-F287 PolarHBondContact O-N 2.96Å; F287-D289 VanDerWaalsContact C-N 3.34Å
288S45.1Very low53.2Low102 Ų102118.7 Ų118.771%0.71358%0.584SS**THydrogen-bonded Turntrans-77.8-18.9-176.959.20000112.9D286D286-S288 PolarHBondContact O-N 3.18Å
289D45.3Very low55Low136 Ų136113.4 Ų113.473%0.72757%0.568SS**SBendtrans-1140.1-168.3-143.319.6000116F287F287-D289 VanDerWaalsContact C-N 3.34Å
290H56.5Low57Low123 Ų123114.2 Ų114.257%0.56957%0.568SS**  trans-126.769.2-177-68.213.6000113.2Y292 E293H290-Y292 PolarHBondContact O-N 2.75Å; H290-E293 HydrophobicContact CB-CB 3.9Å; H290-E293 PolarHBondContact O-N 3.47Å
291K55.1Low59.1Low189 Ų189109.7 Ų109.782%0.82254%0.544SS*.THydrogen-bonded Turntrans-49.3-19.6171.8-102179.8176.8176.40114.9
292Y62.7Low61.3Low189 Ų189109.5 Ų109.574%0.74153%0.525SS*.THydrogen-bonded Turntrans-101.7-4.1-178-57.9-76.1000114.8H290 F294 F295 K296H290-Y292 PolarHBondContact O-N 2.75Å; Y292-F294 PolarHBondContact O-N 3.04Å; Y292-F295 PolarHBondContact O-N 2.62Å; Y292-K296 WeakPolarHBondContact O-CB 3.31Å; Y292-K296 PolarHBondContact O-N 3.35Å
293E67.4Low63.3Low74 Ų74113.2 Ų113.235%0.34653%0.532SS..Hα-helixtrans-67.7-38.2-178-165167.6-166.300112H290 F295 K296 I297H290-E293 HydrophobicContact CB-CB 3.9Å; H290-E293 PolarHBondContact O-N 3.47Å; E293-F295 PolarHBondContact O-N 2.86Å; E293-K296 WeakPolarHBondContact O-CB 3.13Å; E293-K296 PolarHBondContact O-N 3.06Å; E293-I297 HydrophobicContact CG-CD1 4.32Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.86Å
294F69Low65.4Low109 Ų109112.5 Ų112.548%0.47853%0.529SS..Hα-helixtrans-57.2-48.6172.6179.6-104.4000112.3Y292 K296 I297 I298 H525Y292-F294 PolarHBondContact O-N 3.04Å; F294-K296 VanDerWaalsContact C-N 3.33Å; F294-K296 PolarHBondContact O-N 3.47Å; F294-I297 PolarHBondContact O-N 3.47Å; F294-I298 HydrophobicContact CD1-CD1 3.75Å; F294-I298 HydrophobicContact CE1-CD1 3.22Å; F294-I298 HydrophobicContact CE1-CG1 4.42Å; F294-I298 HydrophobicContact CE2-CD1 4.09Å; F294-I298 HydrophobicContact CG-CD1 4.39Å; F294-I298 HydrophobicContact CZ-CD1 3.43Å; F294-I298 VanDerWaalsContact CZ-CD1 3.43Å; F294-I298 HydrophobicContact CZ-CG1 4.42Å; F294-I298 WeakPolarHBondContact O-CG1 3.46Å; F294-I298 PolarHBondContact O-N 3.31Å; F294-H525 AromaticContact CD2-CD2 3.87Å
295F73.9Confident67.9Low135 Ų135113.6 Ų113.659%0.59253%0.528SS*.Hα-helixtrans-65.2-36.6178-72.7-76000112.2Y292 E293 I298 F299Y292-F295 PolarHBondContact O-N 2.62Å; E293-F295 PolarHBondContact O-N 2.86Å; F295-I298 PolarHBondContact O-N 2.9Å; F295-F299 WeakPolarHBondContact O-CB 3.05Å; F295-F299 PolarHBondContact O-N 2.81Å
296K77.6Confident70.5Confident161 Ų161106.1 Ų106.170%0.750%0.495SS*.Hα-helixtrans-64.5-41.9175.7-168.7178.3-179.4-179.10111.9Y292 E293 F294 F299 M300Y292-K296 WeakPolarHBondContact O-CB 3.31Å; Y292-K296 PolarHBondContact O-N 3.35Å; E293-K296 WeakPolarHBondContact O-CB 3.13Å; E293-K296 PolarHBondContact O-N 3.06Å; F294-K296 VanDerWaalsContact C-N 3.33Å; F294-K296 PolarHBondContact O-N 3.47Å; K296-F299 PolarHBondContact O-N 3.34Å; K296-M300 WeakPolarHBondContact O-CB 3.29Å; K296-M300 PolarHBondContact O-N 3.37Å
297I75Confident73Confident16 Ų1699.1 Ų99.18%0.08246%0.458CS..Hα-helixtrans-65.6-44.4176-66165.2000110.6E293 F294 F299 M300 L301 H525E293-I297 HydrophobicContact CG-CD1 4.32Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.86Å; F294-I297 PolarHBondContact O-N 3.47Å; I297-F299 VanDerWaalsContact C-N 3.33Å; I297-F299 PolarHBondContact O-N 3.47Å; I297-M300 WeakPolarHBondContact O-CB 3.3Å; I297-M300 PolarHBondContact O-N 3.39Å; I297-L301 HydrophobicContact CG2-CD1 4.48Å; I297-L301 WeakPolarHBondContact O-CG 3.11Å; I297-L301 PolarHBondContact O-N 3.34Å; I297-H525 HydrophobicContact CG2-CB 3.95Å
298I79.6Confident75.2Confident30 Ų3093.5 Ų93.515%0.15443%0.434CS..Hα-helixtrans-58.7-46.6175.3-73.9175.6000110.7F294 F295 M300 L301 F302 F529F294-I298 HydrophobicContact CD1-CD1 3.75Å; F294-I298 HydrophobicContact CE1-CD1 3.22Å; F294-I298 HydrophobicContact CE1-CG1 4.42Å; F294-I298 HydrophobicContact CE2-CD1 4.09Å; F294-I298 HydrophobicContact CG-CD1 4.39Å; F294-I298 HydrophobicContact CZ-CD1 3.43Å; F294-I298 VanDerWaalsContact CZ-CD1 3.43Å; F294-I298 HydrophobicContact CZ-CG1 4.42Å; F294-I298 WeakPolarHBondContact O-CG1 3.46Å; F294-I298 PolarHBondContact O-N 3.31Å; F295-I298 PolarHBondContact O-N 2.9Å; I298-M300 VanDerWaalsContact C-N 3.29Å; I298-M300 PolarHBondContact O-N 3.19Å; I298-L301 WeakPolarHBondContact O-CB 3.39Å; I298-L301 PolarHBondContact O-N 3.43Å; I298-L301 VanDerWaalsContact O-N 3.12Å; I298-F302 HydrophobicContact CG2-CD2 3.66Å; I298-F302 HydrophobicContact CG2-CE2 3.66Å; I298-F302 WeakPolarHBondContact O-CD2 3.46Å; I298-F302 PolarHBondContact O-N 3.01Å; I298-F529 HydrophobicContact CG1-CD2 4.4Å; I298-F529 HydrophobicContact CG2-CD2 4.2Å; I298-F529 HydrophobicContact CG2-CE2 3.9Å
299F81.6Confident77.6Confident122 Ų12289.5 Ų89.554%0.53541%0.406SS..Hα-helixtrans-64.3-34.4178.9-166.9-109.9000112.6F295 K296 I297 F302 K303F295-F299 WeakPolarHBondContact O-CB 3.05Å; F295-F299 PolarHBondContact O-N 2.81Å; K296-F299 PolarHBondContact O-N 3.34Å; I297-F299 VanDerWaalsContact C-N 3.33Å; I297-F299 PolarHBondContact O-N 3.47Å; F299-F302 PolarHBondContact O-N 3.3Å; F299-K303 HydrophobicContact CD1-CD 4.23Å; F299-K303 HydrophobicContact CE1-CD 3.9Å; F299-K303 HydrophobicContact CZ-CD 4.46Å; F299-K303 PolarHBondContact O-N 3.42Å; F299-K303 VanDerWaalsContact O-N 3.09Å
300M82.7Confident79.8Confident88 Ų8883 Ų8343%0.43337%0.371SS..Hα-helixtrans-63.2-44.1171.1-177.9-167.373.900111.8K296 I297 I298 F302 K303 N304K296-M300 WeakPolarHBondContact O-CB 3.29Å; K296-M300 PolarHBondContact O-N 3.37Å; I297-M300 WeakPolarHBondContact O-CB 3.3Å; I297-M300 PolarHBondContact O-N 3.39Å; I298-M300 VanDerWaalsContact C-N 3.29Å; I298-M300 PolarHBondContact O-N 3.19Å; M300-F302 VanDerWaalsContact C-N 3.34Å; M300-F302 PolarHBondContact O-N 2.73Å; M300-K303 PolarHBondContact O-N 2.71Å; M300-N304 PolarHBondContact O-N 3.01Å; M300-N304 VanDerWaalsContact O-N 3.12Å
301L83.4Confident81.6Confident2 Ų277.2 Ų77.21%0.0135%0.345CS..Hα-helixtrans-62.1-41.8176.6-69.4174.9000111.6I297 I298 K303 N304 V518 F526 F529I297-L301 HydrophobicContact CG2-CD1 4.48Å; I297-L301 WeakPolarHBondContact O-CG 3.11Å; I297-L301 PolarHBondContact O-N 3.34Å; I298-L301 WeakPolarHBondContact O-CB 3.39Å; I298-L301 PolarHBondContact O-N 3.43Å; I298-L301 VanDerWaalsContact O-N 3.12Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3Å; L301-N304 PolarHBondContact O-N 3.47Å; L301-V518 HydrophobicContact CD2-CG1 4.36Å; L301-V518 HydrophobicContact CD2-CG2 3.94Å; L301-F526 HydrophobicContact CD1-CB 4.25Å; L301-F526 HydrophobicContact CD2-CB 4.29Å; L301-F526 HydrophobicContact CD2-CD2 4.16Å; L301-F529 HydrophobicContact CD1-CB 4.42Å; L301-F529 HydrophobicContact CD1-CD1 4.35Å
302F86.2Confident83.5Confident91 Ų9171.2 Ų71.240%0.39932%0.321SS..Hα-helixtrans-59.4-39.6174.2-93.1-72.8000113.4I298 F299 M300 N304 M308 F529 W533I298-F302 HydrophobicContact CG2-CD2 3.66Å; I298-F302 HydrophobicContact CG2-CE2 3.66Å; I298-F302 WeakPolarHBondContact O-CD2 3.46Å; I298-F302 PolarHBondContact O-N 3.01Å; F299-F302 PolarHBondContact O-N 3.3Å; M300-F302 VanDerWaalsContact C-N 3.34Å; M300-F302 PolarHBondContact O-N 2.73Å; F302-N304 VanDerWaalsContact C-N 3.33Å; F302-M308 HydrophobicContact CD1-CE 3.7Å; F302-M308 HydrophobicContact CD1-SD 3.86Å; F302-M308 HydrophobicContact CE1-CE 3.82Å; F302-M308 HydrophobicContact CE1-SD 4.4Å; F302-M308 HydrophobicContact CG-SD 4.36Å; F302-M308 VanDerWaalsContact O-CG 3.27Å; F302-M308 WeakPolarHBondContact O-CG 3.47Å; F302-F529 HydrophobicContact CD1-CZ 4.37Å; F302-F529 HydrophobicContact CD2-CE2 4.16Å; F302-F529 AromaticContact CD2-CZ 3.73Å; F302-F529 HydrophobicContact CD2-CZ 3.73Å; F302-F529 AromaticContact CE1-CZ 3.98Å; F302-F529 HydrophobicContact CE1-CZ 3.98Å; F302-F529 HydrophobicContact CE2-CE1 4.45Å; F302-F529 AromaticContact CE2-CE2 3.45Å; F302-F529 HydrophobicContact CE2-CE2 3.45Å; F302-F529 VanDerWaalsContact CE2-CE2 3.45Å; F302-F529 AromaticContact CE2-CZ 3.27Å; F302-F529 HydrophobicContact CE2-CZ 3.27Å; F302-F529 HydrophobicContact CG-CZ 4.27Å; F302-F529 AromaticContact CZ-CE2 3.84Å; F302-F529 HydrophobicContact CZ-CE2 3.84Å; F302-F529 AromaticContact CZ-CZ 3.43Å; F302-F529 HydrophobicContact CZ-CZ 3.43Å; F302-F529 VanDerWaalsContact CZ-CZ 3.43Å; F302-W533 HydrophobicContact CE1-CH2 4.21Å; F302-W533 AromaticContact CE1-CZ2 3.46Å; F302-W533 HydrophobicContact CE1-CZ2 3.46Å; F302-W533 VanDerWaalsContact CE1-CZ2 3.46Å; F302-W533 AromaticContact CZ-CZ2 3.62Å; F302-W533 HydrophobicContact CZ-CZ2 3.62Å
303K85.8Confident85Confident150 Ų15062.5 Ų62.565%0.65229%0.287SS*.Hα-helixtrans-74.7-23178.9-78.3-174.2167.6-177.70113.3F299 M300 L301 K305F299-K303 HydrophobicContact CD1-CD 4.23Å; F299-K303 HydrophobicContact CE1-CD 3.9Å; F299-K303 HydrophobicContact CZ-CD 4.46Å; F299-K303 PolarHBondContact O-N 3.42Å; F299-K303 VanDerWaalsContact O-N 3.09Å; M300-K303 PolarHBondContact O-N 2.71Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3Å; K303-K305 PolarHBondContact O-N 2.92Å
304N88.4Confident86.3Confident62 Ų6260.2 Ų60.233%0.33228%0.277SS..  trans-77.2106.6178.1-172.5-30.3000110.5M300 L301 F302 T306 C307 M308M300-N304 PolarHBondContact O-N 3.01Å; M300-N304 VanDerWaalsContact O-N 3.12Å; L301-N304 PolarHBondContact O-N 3.47Å; F302-N304 VanDerWaalsContact C-N 3.33Å; N304-T306 VanDerWaalsContact C-N 3.31Å; N304-T306 PolarHBondContact O-N 3.3Å; N304-T306 PolarHBondContact OD1-N 3.29Å; N304-T306 VanDerWaalsContact OD1-N 3.11Å; N304-C307 HydrophobicContact CB-CB 4Å; N304-C307 PolarHBondContact ND2-SG 3.41Å; N304-C307 PolarHBondContact O-N 3.01Å; N304-C307 PolarHBondContact OD1-N 3.45Å; N304-M308 PolarHBondContact O-N 2.89Å
305K89.9Confident87.5Confident155 Ų15555.3 Ų55.367%0.67426%0.256SS*.Hα-helixtrans-55.8-42.5-177.2-62.3-177.9-178.6-179.40112.8K303 M308 C309 C599K303-K305 PolarHBondContact O-N 2.92Å; K305-M308 PolarHBondContact O-N 2.75Å; K305-C309 WeakPolarHBondContact O-CB 3.4Å; K305-C309 PolarHBondContact O-N 3.24Å; K305-C309 PolarHBondContact O-SG 2.84Å; K305-C599 HydrophobicContact CB-CB 4.42Å
306T90.6Very high88.5Confident7 Ų750.7 Ų50.74%0.04324%0.236CC..Hα-helixtrans-68.4-43.5-178.7-52.90000111.3N304 M308 C309 V310 F373 V517 A596 C599 Y600N304-T306 VanDerWaalsContact C-N 3.31Å; N304-T306 PolarHBondContact O-N 3.3Å; N304-T306 PolarHBondContact OD1-N 3.29Å; N304-T306 VanDerWaalsContact OD1-N 3.11Å; T306-M308 PolarHBondContact O-N 3Å; T306-C309 PolarHBondContact O-N 3.3Å; T306-V310 WeakPolarHBondContact O-CG2 3.29Å; T306-V310 PolarHBondContact O-N 3.49Å; T306-V310 VanDerWaalsContact O-N 3.1Å; T306-F373 HydrophobicContact CG2-CE1 4.18Å; T306-F373 HydrophobicContact CG2-CZ 4.15Å; T306-V517 HydrophobicContact CG2-CG1 3.6Å; T306-V517 HydrophobicContact CG2-CG2 4.28Å; T306-A596 HydrophobicContact CG2-CB 4.16Å; T306-A596 WeakPolarHBondContact CG2-O 3.45Å; T306-C599 PolarHBondContact OG1-O 3.28Å; T306-Y600 HydrophobicContact CG2-CD2 4.12Å; T306-Y600 PolarHBondContact OG1-N 3.02Å
307C90Very high89.2Confident0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-58.7-48.9175.7-67.70000111.4N304 V310 I311 V517 V518 F526N304-C307 HydrophobicContact CB-CB 4Å; N304-C307 PolarHBondContact ND2-SG 3.41Å; N304-C307 PolarHBondContact O-N 3.01Å; N304-C307 PolarHBondContact OD1-N 3.45Å; C307-V310 PolarHBondContact O-N 3.34Å; C307-I311 WeakPolarHBondContact O-CG1 3.32Å; C307-I311 PolarHBondContact O-N 3.34Å; C307-V517 WeakPolarHBondContact SG-CG1 3.19Å; C307-V518 WeakPolarHBondContact SG-CG2 3.32Å; C307-F526 HydrophobicContact CB-CE2 4.13Å
308M93.4Very high90.1Very high22 Ų2244.6 Ų44.611%0.10821%0.213CC..Hα-helixtrans-65.3-40.9-178.9-72.9-54.8-65.300112.4F302 N304 K305 T306 V310 I311 L312 F529 W533F302-M308 HydrophobicContact CD1-CE 3.7Å; F302-M308 HydrophobicContact CD1-SD 3.86Å; F302-M308 HydrophobicContact CE1-CE 3.82Å; F302-M308 HydrophobicContact CE1-SD 4.4Å; F302-M308 HydrophobicContact CG-SD 4.36Å; F302-M308 VanDerWaalsContact O-CG 3.27Å; F302-M308 WeakPolarHBondContact O-CG 3.47Å; N304-M308 PolarHBondContact O-N 2.89Å; K305-M308 PolarHBondContact O-N 2.75Å; T306-M308 PolarHBondContact O-N 3Å; M308-V310 VanDerWaalsContact C-N 3.31Å; M308-V310 PolarHBondContact O-N 3.29Å; M308-I311 PolarHBondContact O-N 2.87Å; M308-I311 HydrophobicContact SD-CD1 4.46Å; M308-L312 VanDerWaalsContact O-CB 3.29Å; M308-L312 WeakPolarHBondContact O-CB 3.36Å; M308-L312 WeakPolarHBondContact O-CG 3.38Å; M308-L312 PolarHBondContact O-N 3.06Å; M308-F529 HydrophobicContact SD-CE1 4.03Å; M308-W533 HydrophobicContact CE-CH2 4.03Å; M308-W533 HydrophobicContact CE-CZ2 4.12Å; M308-W533 HydrophobicContact CE-CZ3 4.36Å
309C94.7Very high90.8Very high19 Ų1944.6 Ų44.613%0.12821%0.213CC..Hα-helixtrans-60.2-41.6175.6-68.50000111.9K305 T306 M313 A596K305-C309 WeakPolarHBondContact O-CB 3.4Å; K305-C309 PolarHBondContact O-N 3.24Å; K305-C309 PolarHBondContact O-SG 2.84Å; T306-C309 PolarHBondContact O-N 3.3Å; C309-M313 WeakPolarHBondContact O-CB 3.23Å; C309-M313 PolarHBondContact O-N 2.82Å; C309-A596 HydrophobicContact CB-CB 3.81Å
310V93.1Very high91.4Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-68.9-38.5178.3171.90000112T306 C307 M308 Q314 F373 F526 A596T306-V310 WeakPolarHBondContact O-CG2 3.29Å; T306-V310 PolarHBondContact O-N 3.49Å; T306-V310 VanDerWaalsContact O-N 3.1Å; C307-V310 PolarHBondContact O-N 3.34Å; M308-V310 VanDerWaalsContact C-N 3.31Å; M308-V310 PolarHBondContact O-N 3.29Å; V310-Q314 WeakPolarHBondContact O-CB 3.29Å; V310-Q314 WeakPolarHBondContact O-CG 3.37Å; V310-Q314 PolarHBondContact O-N 3.38Å; V310-Q314 VanDerWaalsContact O-N 3.09Å; V310-Q314 PolarHBondContact O-NE2 3.1Å; V310-F373 HydrophobicContact CG2-CZ 4.23Å; V310-F526 HydrophobicContact CG1-CZ 4.46Å; V310-A596 HydrophobicContact CG2-CB 3.87Å
311I93.4Very high91.9Very high1 Ų136.6 Ų36.61%0.00518%0.177CC..Hα-helixtrans-68.2-46.1175.5-69.7167000110.8C307 M308 M313 Q314 T315 F526 F529 W533C307-I311 WeakPolarHBondContact O-CG1 3.32Å; C307-I311 PolarHBondContact O-N 3.34Å; M308-I311 PolarHBondContact O-N 2.87Å; M308-I311 HydrophobicContact SD-CD1 4.46Å; I311-M313 VanDerWaalsContact C-N 3.32Å; I311-M313 PolarHBondContact O-N 3.35Å; I311-Q314 PolarHBondContact O-N 3.45Å; I311-T315 WeakPolarHBondContact O-CB 3.3Å; I311-T315 PolarHBondContact O-N 3.16Å; I311-T315 PolarHBondContact O-OG1 3Å; I311-F526 HydrophobicContact CD1-CD2 3.94Å; I311-F526 HydrophobicContact CD1-CE2 3.55Å; I311-F526 HydrophobicContact CD1-CZ 4.4Å; I311-F526 HydrophobicContact CG1-CD2 4.44Å; I311-F526 HydrophobicContact CG1-CE2 3.63Å; I311-F526 HydrophobicContact CG1-CZ 4.03Å; I311-F529 HydrophobicContact CD1-CD1 3.61Å; I311-F529 HydrophobicContact CD1-CE1 3.77Å; I311-W533 HydrophobicContact CG2-CB 3.73Å; I311-W533 HydrophobicContact CG2-CD2 4.21Å; I311-W533 HydrophobicContact CG2-CE3 4.39Å; I311-W533 HydrophobicContact CG2-CG 3.92Å
312L94.9Very high92.3Very high62 Ų6237.5 Ų37.533%0.32518%0.182SC..Hα-helixtrans-60.6-42.6178.5-73.9171.1000111.1M308 T315 I316 W533 L592M308-L312 VanDerWaalsContact O-CB 3.29Å; M308-L312 WeakPolarHBondContact O-CB 3.36Å; M308-L312 WeakPolarHBondContact O-CG 3.38Å; M308-L312 PolarHBondContact O-N 3.06Å; L312-T315 WeakPolarHBondContact O-CB 3.47Å; L312-T315 PolarHBondContact O-N 2.89Å; L312-I316 PolarHBondContact O-N 3.16Å; L312-W533 HydrophobicContact CD2-CE3 4.07Å; L312-W533 HydrophobicContact CD2-CZ3 3.58Å; L312-L592 HydrophobicContact CB-CD1 3.94Å
313M94.6Very high92.6Very high6 Ų633.1 Ų33.13%0.0316%0.163CC..Hα-helixtrans-64.4-46.2176.4-172.9-84.5-58.300112C309 I311 T315 I316 E317 L510 L592 L593C309-M313 WeakPolarHBondContact O-CB 3.23Å; C309-M313 PolarHBondContact O-N 2.82Å; I311-M313 VanDerWaalsContact C-N 3.32Å; I311-M313 PolarHBondContact O-N 3.35Å; M313-T315 PolarHBondContact O-N 3.07Å; M313-I316 WeakPolarHBondContact O-CG1 3.49Å; M313-I316 PolarHBondContact O-N 3.38Å; M313-E317 WeakPolarHBondContact O-CB 3.43Å; M313-E317 PolarHBondContact O-N 2.88Å; M313-E317 HydrophobicContact SD-CB 4.35Å; M313-L510 HydrophobicContact CE-CD1 3.32Å; M313-L510 HydrophobicContact CE-CD2 3.23Å; M313-L510 HydrophobicContact CE-CG 3.87Å; M313-L510 HydrophobicContact SD-CD2 4.04Å; M313-L592 HydrophobicContact CB-CB 3.97Å; M313-L592 HydrophobicContact CB-CD1 4.13Å; M313-L593 HydrophobicContact CE-CD1 3.69Å; M313-L593 HydrophobicContact CE-CD2 3.38Å; M313-L593 HydrophobicContact CE-CG 3.6Å; M313-L593 HydrophobicContact CG-CD1 4.39Å; M313-L593 HydrophobicContact CG-CG 3.99Å; M313-L593 HydrophobicContact SD-CD1 4.26Å; M313-L593 HydrophobicContact SD-CG 4.36Å
314Q93.7Very high92.9Very high27 Ų2726.6 Ų26.613%0.12613%0.134CC..Hα-helixtrans-59.2-33.4174.7-78.6176.297.200112.3V310 I311 A318 L510 M534V310-Q314 WeakPolarHBondContact O-CB 3.29Å; V310-Q314 WeakPolarHBondContact O-CG 3.37Å; V310-Q314 PolarHBondContact O-N 3.38Å; V310-Q314 VanDerWaalsContact O-N 3.09Å; V310-Q314 PolarHBondContact O-NE2 3.1Å; I311-Q314 PolarHBondContact O-N 3.45Å; Q314-A318 VanDerWaalsContact O-CB 3.24Å; Q314-A318 WeakPolarHBondContact O-CB 3.15Å; Q314-A318 PolarHBondContact O-N 3.11Å; Q314-L510 HydrophobicContact CG-CD2 3.71Å; Q314-L510 HydrophobicContact CG-CG 4.21Å; Q314-M534 HydrophobicContact CB-CG 4.21Å; Q314-M534 HydrophobicContact CB-SD 3.78Å
315T95.3Very high93Very high6 Ų626.2 Ų26.24%0.03713%0.131CC..Hα-helixtrans-67.8-48.1178.8-58.20000112I311 L312 M313 E317 A318 M319 L537 G538I311-T315 WeakPolarHBondContact O-CB 3.3Å; I311-T315 PolarHBondContact O-N 3.16Å; I311-T315 PolarHBondContact O-OG1 3Å; L312-T315 WeakPolarHBondContact O-CB 3.47Å; L312-T315 PolarHBondContact O-N 2.89Å; M313-T315 PolarHBondContact O-N 3.07Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.06Å; T315-A318 PolarHBondContact O-N 3.33Å; T315-M319 PolarHBondContact O-N 3.22Å; T315-L537 HydrophobicContact CG2-CB 3.56Å; T315-G538 WeakPolarHBondContact O-CA 3.38Å
316I94.9Very high93.1Very high37 Ų3719.3 Ų19.319%0.1910%0.102CC..Hα-helixtrans-68.8-32.7177.662.7175.7000112L312 M313 M319 L320 V585 T588 L592L312-I316 PolarHBondContact O-N 3.16Å; M313-I316 WeakPolarHBondContact O-CG1 3.49Å; M313-I316 PolarHBondContact O-N 3.38Å; I316-M319 WeakPolarHBondContact O-CB 3.28Å; I316-M319 PolarHBondContact O-N 3.36Å; I316-L320 PolarHBondContact O-N 3.23Å; I316-V585 HydrophobicContact CB-CG1 4.18Å; I316-V585 HydrophobicContact CG1-CG1 4.3Å; I316-V585 WeakPolarHBondContact O-CG1 3.49Å; I316-T588 HydrophobicContact CD1-CG2 4Å; I316-L592 HydrophobicContact CD1-CD1 3.9Å
317E92.7Very high93.3Very high30 Ų3019 Ų1914%0.1410%0.1CC..Hα-helixtrans-67.3-41.3173.5-174.269.1-165.200110.8M313 T315 M319 L320 M321 K586M313-E317 WeakPolarHBondContact O-CB 3.43Å; M313-E317 PolarHBondContact O-N 2.88Å; M313-E317 HydrophobicContact SD-CB 4.35Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.06Å; E317-M319 VanDerWaalsContact C-N 3.32Å; E317-M319 PolarHBondContact O-N 2.77Å; E317-L320 PolarHBondContact O-N 3.03Å; E317-M321 WeakPolarHBondContact O-CG 3.4Å; E317-M321 PolarHBondContact O-N 3.05Å; E317-K586 IonicContact OE1-NZ 2.65Å; E317-K586 PolarHBondContact OE1-NZ 3.36Å; E317-K586 IonicContact OE2-NZ 2.93Å; E317-K586 PolarHBondContact OE2-NZ 3.48Å
318A93.4Very high93.4Very high19 Ų1919.7 Ų19.716%0.15710%0.104CC..Hα-helixtrans-62.3-37.7174.700000112.2Q314 T315 L320 M321 N322 M534Q314-A318 VanDerWaalsContact O-CB 3.24Å; Q314-A318 WeakPolarHBondContact O-CB 3.15Å; Q314-A318 PolarHBondContact O-N 3.11Å; T315-A318 PolarHBondContact O-N 3.33Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 2.71Å; A318-M321 PolarHBondContact O-N 3.17Å; A318-N322 WeakPolarHBondContact O-CB 3.11Å; A318-N322 PolarHBondContact O-N 3.44Å; A318-M534 HydrophobicContact CB-CB 4.15Å; A318-M534 HydrophobicContact CB-CG 4.27Å
319M94.9Very high93.4Very high31 Ų3118.7 Ų18.715%0.15310%0.099CC..Hα-helixtrans-56.5-48.6173.4-171.6177.552.700111.7T315 I316 E317 G323 G538 G542 F581 V585T315-M319 PolarHBondContact O-N 3.22Å; I316-M319 WeakPolarHBondContact O-CB 3.28Å; I316-M319 PolarHBondContact O-N 3.36Å; E317-M319 VanDerWaalsContact C-N 3.32Å; E317-M319 PolarHBondContact O-N 2.77Å; M319-G323 PolarHBondContact O-N 2.67Å; M319-G323 VanDerWaalsContact O-N 3.14Å; M319-G538 VanDerWaalsContact CA-O 3.29Å; M319-G538 WeakPolarHBondContact CA-O 3.48Å; M319-G542 VanDerWaalsContact CG-CA 3.45Å; M319-G542 WeakPolarHBondContact O-CA 3.01Å; M319-F581 HydrophobicContact CE-CE1 4.46Å; M319-F581 HydrophobicContact CE-CE2 4.39Å; M319-F581 HydrophobicContact CE-CZ 3.66Å; M319-F581 HydrophobicContact SD-CZ 4.22Å; M319-V585 HydrophobicContact CE-CG2 3.99Å
320L94.2Very high93.3Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-65.3-45.7179.1-178.6144.2000111.4I316 E317 A318 G323 Y324 T582 V585I316-L320 PolarHBondContact O-N 3.23Å; E317-L320 PolarHBondContact O-N 3.03Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 2.71Å; L320-G323 PolarHBondContact O-N 3.22Å; L320-Y324 HydrophobicContact CD1-CE2 4.19Å; L320-Y324 HydrophobicContact CD2-CD2 3.54Å; L320-Y324 HydrophobicContact CD2-CE2 3.54Å; L320-Y324 HydrophobicContact CG-CD2 3.83Å; L320-Y324 HydrophobicContact CG-CE2 3.6Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 PolarHBondContact O-N 2.95Å; L320-T582 HydrophobicContact CD1-CG2 3.97Å; L320-V585 HydrophobicContact CB-CG1 4.11Å; L320-V585 HydrophobicContact CD1-CB 3.93Å; L320-V585 HydrophobicContact CD1-CG1 3.9Å; L320-V585 HydrophobicContact CD1-CG2 4.46Å
321M91.4Very high93.2Very high42 Ų4218.5 Ų18.521%0.20710%0.096CC..Hα-helixtrans-63.6-44.7179.7-72.1-63-87.900112.5E317 A318 Y324 I325 I503 F504E317-M321 WeakPolarHBondContact O-CG 3.4Å; E317-M321 PolarHBondContact O-N 3.05Å; A318-M321 PolarHBondContact O-N 3.17Å; M321-Y324 PolarHBondContact O-N 3.18Å; M321-I325 WeakPolarHBondContact O-CB 3.4Å; M321-I325 VanDerWaalsContact O-CG1 3.25Å; M321-I325 WeakPolarHBondContact O-CG1 3.46Å; M321-I325 PolarHBondContact O-N 3.01Å; M321-I503 HydrophobicContact CE-CG2 3.51Å; M321-I503 HydrophobicContact SD-CD1 4.48Å; M321-I503 HydrophobicContact SD-CG2 3.46Å; M321-I503 WeakPolarHBondContact SD-CG2 3.36Å; M321-F504 HydrophobicContact CE-CE1 3.95Å; M321-F504 HydrophobicContact CE-CZ 3.95Å
322N91.9Very high93.1Very high20 Ų2018.6 Ų18.611%0.10710%0.097CC..Hα-helixtrans-68.5-37.9-178.7-156.748.9000112A318 T326 S539A318-N322 WeakPolarHBondContact O-CB 3.11Å; A318-N322 PolarHBondContact O-N 3.44Å; N322-T326 VanDerWaalsContact O-CB 3.31Å; N322-T326 WeakPolarHBondContact O-CB 3.49Å; N322-T326 PolarHBondContact O-N 3.34Å; N322-T326 PolarHBondContact O-OG1 3.41Å; N322-S539 PolarHBondContact ND2-O 2.74Å
323G93.4Very high92.9Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-60.6-46.7173.200000112.4M319 L320 T326 F327 F546M319-G323 PolarHBondContact O-N 2.67Å; M319-G323 VanDerWaalsContact O-N 3.14Å; L320-G323 PolarHBondContact O-N 3.22Å; G323-T326 PolarHBondContact O-N 3.42Å; G323-F327 PolarHBondContact O-N 3.48Å; G323-F327 VanDerWaalsContact O-N 3.09Å; G323-F546 WeakPolarHBondContact O-CD1 3.47Å
324Y92.3Very high92.6Very high12 Ų1218.5 Ų18.55%0.04710%0.097CC..Hα-helixtrans-63.5-51.5175.5-82.9-55.4000112.6L320 M321 T326 F327 I328 L331 L394 F546 T582L320-Y324 HydrophobicContact CD1-CE2 4.19Å; L320-Y324 HydrophobicContact CD2-CD2 3.54Å; L320-Y324 HydrophobicContact CD2-CE2 3.54Å; L320-Y324 HydrophobicContact CG-CD2 3.83Å; L320-Y324 HydrophobicContact CG-CE2 3.6Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 PolarHBondContact O-N 2.95Å; M321-Y324 PolarHBondContact O-N 3.18Å; Y324-T326 PolarHBondContact O-N 3.3Å; Y324-T326 VanDerWaalsContact O-N 3.17Å; Y324-F327 PolarHBondContact O-N 2.96Å; Y324-I328 HydrophobicContact CD1-CG1 4.17Å; Y324-I328 VanDerWaalsContact O-CB 3.24Å; Y324-I328 WeakPolarHBondContact O-CB 3.41Å; Y324-I328 VanDerWaalsContact O-CD1 3.31Å; Y324-I328 WeakPolarHBondContact O-CD1 3.02Å; Y324-I328 WeakPolarHBondContact O-CG1 2.98Å; Y324-I328 PolarHBondContact O-N 3.18Å; Y324-L331 HydrophobicContact CD1-CD1 4.2Å; Y324-L331 HydrophobicContact CE1-CD1 4.23Å; Y324-L394 HydrophobicContact CE1-CD1 4.31Å; Y324-L394 WeakPolarHBondContact OH-CD1 3.46Å; Y324-F546 AromaticContact CD1-CE1 3.93Å; Y324-F546 HydrophobicContact CD1-CE1 3.93Å; Y324-F546 HydrophobicContact CD2-CE1 4.35Å; Y324-F546 HydrophobicContact CD2-CZ 4.26Å; Y324-F546 HydrophobicContact CE1-CE1 4.01Å; Y324-F546 HydrophobicContact CE2-CE1 4.43Å; Y324-F546 HydrophobicContact CE2-CZ 4.23Å; Y324-F546 HydrophobicContact CG-CE1 4.07Å; Y324-F546 HydrophobicContact CG-CZ 4.41Å; Y324-T582 PolarHBondContact OH-OG1 3.32Å
325I90.1Very high92.4Very high55 Ų5517.4 Ų17.428%0.2829%0.092SC..Hα-helixtrans-54.2-40.6179.7-71166.1000110.5N44 S48 M321N44-I325 HydrophobicContact CB-CG2 4.42Å; S48-I325 WeakPolarHBondContact CB-O 3.41Å; S48-I325 PolarHBondContact OG-O 3.06Å; M321-I325 WeakPolarHBondContact O-CB 3.4Å; M321-I325 VanDerWaalsContact O-CG1 3.25Å; M321-I325 WeakPolarHBondContact O-CG1 3.46Å; M321-I325 PolarHBondContact O-N 3.01Å
326T93.2Very high92Very high9 Ų917.4 Ų17.46%0.0559%0.092CC..Hα-helixtrans-68.3-46.6-179.3-56.70000112.4S48 I51 A69 N322 G323 Y324 A543S48-T326 PolarHBondContact OG-O 3.22Å; I51-T326 HydrophobicContact CD1-CG2 3.34Å; I51-T326 VanDerWaalsContact CD1-O 3.29Å; I51-T326 WeakPolarHBondContact CD1-O 3.48Å; A69-T326 HydrophobicContact CB-CG2 3.59Å; N322-T326 VanDerWaalsContact O-CB 3.31Å; N322-T326 WeakPolarHBondContact O-CB 3.49Å; N322-T326 PolarHBondContact O-N 3.34Å; N322-T326 PolarHBondContact O-OG1 3.41Å; G323-T326 PolarHBondContact O-N 3.42Å; Y324-T326 PolarHBondContact O-N 3.3Å; Y324-T326 VanDerWaalsContact O-N 3.17Å; T326-A543 HydrophobicContact CG2-CB 4.36Å
327F94.3Very high91.6Very high0 Ų018.7 Ų18.70%011%0.114CC..Hα-helixtrans-110.3-0.7-168.6-69.2-77.2000116I51 S62 G323 Y324 K330 L331 A543 F546 I550I51-F327 HydrophobicContact CD1-CD1 4.33Å; I51-F327 HydrophobicContact CD1-CE1 4.11Å; I51-F327 HydrophobicContact CD1-CZ 4.44Å; I51-F327 HydrophobicContact CG2-CD1 4.34Å; I51-F327 HydrophobicContact CG2-CE1 4Å; S62-F327 WeakPolarHBondContact O-CZ 3.38Å; G323-F327 PolarHBondContact O-N 3.48Å; G323-F327 VanDerWaalsContact O-N 3.09Å; Y324-F327 PolarHBondContact O-N 2.96Å; F327-K330 HydrophobicContact CD1-CD 4.19Å; F327-K330 WeakPolarHBondContact O-CB 3.48Å; F327-K330 PolarHBondContact O-N 3.37Å; F327-K330 VanDerWaalsContact O-N 3.1Å; F327-L331 WeakPolarHBondContact O-CG 3.22Å; F327-L331 PolarHBondContact O-N 3.06Å; F327-A543 VanDerWaalsContact CE2-O 3.28Å; F327-A543 WeakPolarHBondContact CE2-O 3.25Å; F327-F546 HydrophobicContact CD2-CB 3.63Å; F327-F546 HydrophobicContact CE2-CB 4Å; F327-I550 HydrophobicContact CB-CD1 4.05Å; F327-I550 HydrophobicContact CD1-CD1 3.61Å; F327-I550 HydrophobicContact CD2-CD1 4.47Å; F327-I550 HydrophobicContact CE1-CD1 4.14Å; F327-I550 HydrophobicContact CG-CD1 3.78Å
328I92.3Very high91.3Very high16 Ų1619 Ų198%0.08212%0.115CC..Hα-helixtrans-49.2-51.1-178.4-88.9160.1000112.6Y324 K330 L331 L332 T347 F496Y324-I328 HydrophobicContact CD1-CG1 4.17Å; Y324-I328 VanDerWaalsContact O-CB 3.24Å; Y324-I328 WeakPolarHBondContact O-CB 3.41Å; Y324-I328 VanDerWaalsContact O-CD1 3.31Å; Y324-I328 WeakPolarHBondContact O-CD1 3.02Å; Y324-I328 WeakPolarHBondContact O-CG1 2.98Å; Y324-I328 PolarHBondContact O-N 3.18Å; I328-K330 VanDerWaalsContact C-N 3.3Å; I328-K330 PolarHBondContact O-N 2.88Å; I328-L331 WeakPolarHBondContact O-CB 3.33Å; I328-L331 PolarHBondContact O-N 3.38Å; I328-L331 VanDerWaalsContact O-N 3.1Å; I328-L332 HydrophobicContact CG2-CD1 4.3Å; I328-L332 HydrophobicContact CG2-CG 4.49Å; I328-L332 WeakPolarHBondContact O-CG 3.5Å; I328-L332 PolarHBondContact O-N 3.49Å; I328-T347 HydrophobicContact CB-CG2 4.49Å; I328-T347 HydrophobicContact CG2-CG2 3.55Å; I328-T347 WeakPolarHBondContact CG2-OG1 3.41Å; I328-F496 HydrophobicContact CD1-CZ 4.07Å; I328-F496 HydrophobicContact CG1-CZ 4.18Å; I328-F496 HydrophobicContact CG2-CZ 4.38Å
329P92.7Very high91Very high1 Ų119 Ų191%0.00611%0.114CC..Hα-helixtrans-58.1-44.8-178.5-25.735.3000111.7F206 L331 L332 E333 A343F206-P329 HydrophobicContact CE1-CG 3.86Å; P329-L331 VanDerWaalsContact C-N 3.34Å; P329-L331 PolarHBondContact O-N 2.76Å; P329-L332 WeakPolarHBondContact O-CB 3.44Å; P329-L332 PolarHBondContact O-N 3.32Å; P329-L332 VanDerWaalsContact O-N 3.12Å; P329-E333 WeakPolarHBondContact O-CG 3.37Å; P329-E333 PolarHBondContact O-N 3.11Å; P329-A343 HydrophobicContact CB-CB 4.33Å; P329-A343 WeakPolarHBondContact O-CB 3.42Å
330K91.9Very high90.7Very high9 Ų918.1 Ų18.14%0.03911%0.111CC..Hα-helixtrans-63.8-35.6176.7-177.3169.8173.3-178.70113.2I51 E55 S62 F327 I328 L332 E333 T334 Y569I51-K330 HydrophobicContact CG2-CD 4.45Å; E55-K330 IonicContact OE1-NZ 2.89Å; E55-K330 PolarHBondContact OE1-NZ 2.98Å; E55-K330 WeakPolarHBondContact OE2-CE 3.43Å; E55-K330 IonicContact OE2-NZ 3.69Å; E55-K330 PolarHBondContact OE2-NZ 3.1Å; S62-K330 PolarHBondContact OG-NZ 3.06Å; F327-K330 HydrophobicContact CD1-CD 4.19Å; F327-K330 WeakPolarHBondContact O-CB 3.48Å; F327-K330 PolarHBondContact O-N 3.37Å; F327-K330 VanDerWaalsContact O-N 3.1Å; I328-K330 VanDerWaalsContact C-N 3.3Å; I328-K330 PolarHBondContact O-N 2.88Å; K330-L332 VanDerWaalsContact C-N 3.35Å; K330-E333 PolarHBondContact O-N 3.46Å; K330-T334 WeakPolarHBondContact O-CB 3.38Å; K330-T334 PolarHBondContact O-N 2.62Å; K330-T334 PolarHBondContact O-OG1 2.81Å; K330-Y569 PolarHBondContact NZ-OH 3.08Å
331L91.5Very high90.4Very high6 Ų618.2 Ų18.23%0.03111%0.111CC..Hα-helixtrans-64.4-40.9172.8-66.3176.3000111.4Y324 F327 I328 P329 T334 L335 L574 F578Y324-L331 HydrophobicContact CD1-CD1 4.2Å; Y324-L331 HydrophobicContact CE1-CD1 4.23Å; F327-L331 WeakPolarHBondContact O-CG 3.22Å; F327-L331 PolarHBondContact O-N 3.06Å; I328-L331 WeakPolarHBondContact O-CB 3.33Å; I328-L331 PolarHBondContact O-N 3.38Å; I328-L331 VanDerWaalsContact O-N 3.1Å; P329-L331 VanDerWaalsContact C-N 3.34Å; P329-L331 PolarHBondContact O-N 2.76Å; L331-T334 PolarHBondContact O-N 2.96Å; L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.45Å; L331-L335 PolarHBondContact O-N 3.2Å; L331-L574 HydrophobicContact CD2-CD2 4.28Å; L331-F578 HydrophobicContact CD1-CE2 4.37Å; L331-F578 HydrophobicContact CD2-CD2 3.73Å; L331-F578 HydrophobicContact CD2-CE2 3.18Å; L331-F578 HydrophobicContact CD2-CZ 3.82Å; L331-F578 HydrophobicContact CG-CE2 4.39Å
332L91.5Very high90.4Very high3 Ų319 Ų192%0.01612%0.116CC..Hα-helixtrans-67.2-37.4175.3-61.3-178.7000112I328 P329 K330 T334 L336 F338 A343 I346 F492I328-L332 HydrophobicContact CG2-CD1 4.3Å; I328-L332 HydrophobicContact CG2-CG 4.49Å; I328-L332 WeakPolarHBondContact O-CG 3.5Å; I328-L332 PolarHBondContact O-N 3.49Å; P329-L332 WeakPolarHBondContact O-CB 3.44Å; P329-L332 PolarHBondContact O-N 3.32Å; P329-L332 VanDerWaalsContact O-N 3.12Å; K330-L332 VanDerWaalsContact C-N 3.35Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 3.47Å; L332-L336 HydrophobicContact CD2-CD1 4.16Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 PolarHBondContact O-N 3.09Å; L332-L336 VanDerWaalsContact O-N 3.13Å; L332-F338 HydrophobicContact CB-CD2 4.22Å; L332-A343 HydrophobicContact CB-CB 3.88Å; L332-A343 HydrophobicContact CD1-CB 4.46Å; L332-I346 HydrophobicContact CD1-CG2 4.33Å; L332-F492 HydrophobicContact CD2-CD1 4.3Å; L332-F492 HydrophobicContact CD2-CE1 3.29Å; L332-F492 HydrophobicContact CD2-CZ 3.48Å; L332-F492 VanDerWaalsContact CD2-CZ 3.48Å
333E89.8Confident90.3Very high32 Ų3218 Ų1815%0.1511%0.111CC..Hα-helixtrans-59.6-43.1172-67.4178.8-136.800110.9S52 P329 K330 G337 F338 S340 A343S52-E333 VanDerWaalsContact CB-OE1 3.28Å; S52-E333 WeakPolarHBondContact CB-OE1 3.39Å; S52-E333 VanDerWaalsContact OG-CD 3.31Å; S52-E333 PolarHBondContact OG-OE1 3.03Å; S52-E333 PolarHBondContact OG-OE2 2.94Å; P329-E333 WeakPolarHBondContact O-CG 3.37Å; P329-E333 PolarHBondContact O-N 3.11Å; K330-E333 PolarHBondContact O-N 3.46Å; E333-G337 WeakPolarHBondContact O-CA 2.82Å; E333-G337 PolarHBondContact O-N 3Å; E333-G337 VanDerWaalsContact O-N 3.1Å; E333-F338 WeakPolarHBondContact CA-O 3.26Å; E333-F338 WeakPolarHBondContact CG-O 3.11Å; E333-S340 VanDerWaalsContact OE1-CA 3.29Å; E333-S340 WeakPolarHBondContact OE1-CA 3.48Å; E333-S340 VanDerWaalsContact OE1-CB 3.25Å; E333-S340 WeakPolarHBondContact OE1-CB 3.4Å; E333-S340 PolarHBondContact OE1-OG 3.43Å; E333-A343 HydrophobicContact CG-CB 3.95Å
334T88.7Confident90.3Very high34 Ų3418 Ų1821%0.20911%0.111CC..Hα-helixtrans-81.8-40.4-173.9-51.40000113.6K330 L331 L332 Y569 L574K330-T334 WeakPolarHBondContact O-CB 3.38Å; K330-T334 PolarHBondContact O-N 2.62Å; K330-T334 PolarHBondContact O-OG1 2.81Å; L331-T334 PolarHBondContact O-N 2.96Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 3.47Å; T334-Y569 HydrophobicContact CG2-CD2 4.38Å; T334-Y569 HydrophobicContact CG2-CG 4.38Å; T334-L574 HydrophobicContact CG2-CD2 3.68Å
335L89.8Confident90.3Very high4 Ų419 Ų192%0.02112%0.117CC..Hα-helixtrans-82.2-35.5-176.5-65.9175.4000112.9L331 L394 R397 C398 F492 A571L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.45Å; L331-L335 PolarHBondContact O-N 3.2Å; L335-L394 HydrophobicContact CD1-CD2 4.36Å; L335-R397 WeakPolarHBondContact O-CA 3.36Å; L335-C398 PolarHBondContact O-N 2.84Å; L335-F492 HydrophobicContact CD1-CE2 4.38Å; L335-A571 HydrophobicContact CD2-CB 4.4Å
336L87.9Confident90.3Very high6 Ų618.2 Ų18.23%0.03111%0.113CC..Hα-helixtrans-114.8-5.1-172.9-58.3177.8000113.9L332 F338 C398 I489 F492L332-L336 HydrophobicContact CD2-CD1 4.16Å; L332-L336 WeakPolarHBondContact O-CB 3.3Å; L332-L336 PolarHBondContact O-N 3.09Å; L332-L336 VanDerWaalsContact O-N 3.13Å; L336-F338 VanDerWaalsContact C-N 3.26Å; L336-F338 HydrophobicContact CB-CD2 4.07Å; L336-F338 HydrophobicContact CB-CE2 4.04Å; L336-F338 HydrophobicContact CB-CG 4.37Å; L336-F338 HydrophobicContact CB-CZ 4.34Å; L336-F338 HydrophobicContact CD1-CD2 4.18Å; L336-F338 HydrophobicContact CD1-CE2 3.56Å; L336-F338 HydrophobicContact CD1-CZ 4.12Å; L336-F338 HydrophobicContact CG-CE2 4.48Å; L336-F338 PolarHBondContact O-N 3.4Å; L336-C398 VanDerWaalsContact C-SG 3.6Å; L336-C398 VanDerWaalsContact CA-SG 3.57Å; L336-C398 PolarHBondContact O-SG 3.36Å; L336-I489 HydrophobicContact CB-CG1 4.48Å; L336-I489 HydrophobicContact CD2-CG1 4.21Å; L336-F492 HydrophobicContact CD1-CB 4.3Å; L336-F492 HydrophobicContact CD1-CD1 3.63Å; L336-F492 HydrophobicContact CD1-CD2 4.37Å; L336-F492 HydrophobicContact CD1-CE1 4.05Å; L336-F492 HydrophobicContact CD1-CG 3.83Å; L336-F492 HydrophobicContact CD2-CB 4.24Å; L336-F492 HydrophobicContact CD2-CD2 4.38Å; L336-F492 HydrophobicContact CD2-CG 4.24Å; L336-F492 HydrophobicContact CG-CG 4.47Å
337G85.1Confident90.2Very high64 Ų6418 Ų1866%0.6611%0.112SC*.  trans69.321.4179.900000114E333E333-G337 WeakPolarHBondContact O-CA 2.82Å; E333-G337 PolarHBondContact O-N 3Å; E333-G337 VanDerWaalsContact O-N 3.1Å
338F86.8Confident89.9Confident35 Ų3518.1 Ų18.115%0.15411%0.113CC..  trans-69.2149.8175.9-69.7-32.5000111.8L332 E333 L336 N342 A343 I346 I489L332-F338 HydrophobicContact CB-CD2 4.22Å; E333-F338 WeakPolarHBondContact CA-O 3.26Å; E333-F338 WeakPolarHBondContact CG-O 3.11Å; L336-F338 VanDerWaalsContact C-N 3.26Å; L336-F338 HydrophobicContact CB-CD2 4.07Å; L336-F338 HydrophobicContact CB-CE2 4.04Å; L336-F338 HydrophobicContact CB-CG 4.37Å; L336-F338 HydrophobicContact CB-CZ 4.34Å; L336-F338 HydrophobicContact CD1-CD2 4.18Å; L336-F338 HydrophobicContact CD1-CE2 3.56Å; L336-F338 HydrophobicContact CD1-CZ 4.12Å; L336-F338 HydrophobicContact CG-CE2 4.48Å; L336-F338 PolarHBondContact O-N 3.4Å; F338-N342 HydrophobicContact CB-CB 4.33Å; F338-A343 HydrophobicContact CB-CB 4.23Å; F338-I346 HydrophobicContact CD2-CD1 3.75Å; F338-I346 HydrophobicContact CE1-CD1 4.47Å; F338-I346 HydrophobicContact CE2-CD1 3.27Å; F338-I346 HydrophobicContact CZ-CD1 3.68Å; F338-I489 HydrophobicContact CE1-CD1 3.8Å; F338-I489 HydrophobicContact CE1-CG1 4.24Å; F338-I489 HydrophobicContact CE1-CG2 4.38Å; F338-I489 HydrophobicContact CZ-CD1 4.08Å; F338-I489 HydrophobicContact CZ-CG1 4.03Å; F338-I489 HydrophobicContact CZ-CG2 3.68Å
339S87.6Confident89.6Confident20 Ų2019.5 Ų19.514%0.1413%0.131CC..  trans-67.915416666.60000110.5G341 N342 A343S339-G341 PolarHBondContact O-N 3.09Å; S339-G341 VanDerWaalsContact O-N 3.17Å; S339-N342 PolarHBondContact O-N 2.71Å; S339-N342 PolarHBondContact OG-N 3.27Å; S339-N342 PolarHBondContact OG-ND2 3.37Å; S339-A343 PolarHBondContact O-N 2.9Å
340S87.8Confident89.4Confident12 Ų1221.2 Ų21.28%0.08414%0.142CC..Hα-helixtrans-56-36.8-177.1-1630000113.5E333 S344E333-S340 VanDerWaalsContact OE1-CA 3.29Å; E333-S340 WeakPolarHBondContact OE1-CA 3.48Å; E333-S340 VanDerWaalsContact OE1-CB 3.25Å; E333-S340 WeakPolarHBondContact OE1-CB 3.4Å; E333-S340 PolarHBondContact OE1-OG 3.43Å; S340-S344 WeakPolarHBondContact O-CB 3.47Å; S340-S344 PolarHBondContact O-N 2.77Å; S340-S344 PolarHBondContact O-OG 3.44Å
341G89Confident89.1Confident2 Ų221.4 Ų21.42%0.02114%0.144CC..Hα-helixtrans-66.3-45.2173.200000113.4G210 S339 S344 L345G210-G341 WeakPolarHBondContact O-CA 3.33Å; S339-G341 PolarHBondContact O-N 3.09Å; S339-G341 VanDerWaalsContact O-N 3.17Å; G341-S344 PolarHBondContact O-N 2.62Å; G341-L345 VanDerWaalsContact O-CG 3.29Å; G341-L345 WeakPolarHBondContact O-CG 3.44Å; G341-L345 PolarHBondContact O-N 3.44Å
342N90.1Very high88.9Confident58 Ų5822 Ų2231%0.3115%0.147SC..Hα-helixtrans-67.9-41.3-179.9-74.7-8.3000112.3R214 F338 S339 S344 L345 I346R214-N342 PolarHBondContact NH2-OD1 3.3Å; F338-N342 HydrophobicContact CB-CB 4.33Å; S339-N342 PolarHBondContact O-N 2.71Å; S339-N342 PolarHBondContact OG-N 3.27Å; S339-N342 PolarHBondContact OG-ND2 3.37Å; N342-S344 VanDerWaalsContact C-N 3.32Å; N342-S344 PolarHBondContact O-N 2.91Å; N342-L345 PolarHBondContact O-N 3.04Å; N342-I346 WeakPolarHBondContact O-CG1 3.21Å; N342-I346 PolarHBondContact O-N 2.87Å
343A91.6Very high88.8Confident0 Ų024.9 Ų24.90%017%0.166CC..Hα-helixtrans-55.8-49.6174.400000110.8P329 L332 E333 F338 S339 L345 I346 T347P329-A343 HydrophobicContact CB-CB 4.33Å; P329-A343 WeakPolarHBondContact O-CB 3.42Å; L332-A343 HydrophobicContact CB-CB 3.88Å; L332-A343 HydrophobicContact CD1-CB 4.46Å; E333-A343 HydrophobicContact CG-CB 3.95Å; F338-A343 HydrophobicContact CB-CB 4.23Å; S339-A343 PolarHBondContact O-N 2.9Å; A343-L345 PolarHBondContact O-N 3.24Å; A343-I346 PolarHBondContact O-N 2.89Å; A343-T347 PolarHBondContact O-N 2.91Å; A343-T347 PolarHBondContact O-OG1 3Å
344S92.7Very high88.9Confident0 Ų024.7 Ų24.70%017%0.167CC..Hα-helixtrans-63.7-40.6179.4-58.90000113.1V49 S340 G341 N342 T347 G348V49-S344 WeakPolarHBondContact CG1-OG 3.46Å; S340-S344 WeakPolarHBondContact O-CB 3.47Å; S340-S344 PolarHBondContact O-N 2.77Å; S340-S344 PolarHBondContact O-OG 3.44Å; G341-S344 PolarHBondContact O-N 2.62Å; N342-S344 VanDerWaalsContact C-N 3.32Å; N342-S344 PolarHBondContact O-N 2.91Å; S344-T347 PolarHBondContact O-N 3.3Å; S344-G348 PolarHBondContact O-N 2.91Å
345L92.4Very high88.9Confident32 Ų3223.3 Ų23.317%0.16816%0.16CC..Hα-helixtrans-63.6-40.7176.1-73.9172.5000112.4V207 F211 R214 G341 N342 A343 G349V207-L345 HydrophobicContact CG1-CD2 4.31Å; V207-L345 WeakPolarHBondContact O-CD2 3.24Å; F211-L345 HydrophobicContact CD2-CD2 3.94Å; F211-L345 HydrophobicContact CE1-CD1 4.46Å; F211-L345 HydrophobicContact CE2-CD2 3.74Å; F211-L345 HydrophobicContact CG-CD2 4.44Å; F211-L345 HydrophobicContact CZ-CD2 4.09Å; R214-L345 VanDerWaalsContact NH2-CD1 3.3Å; G341-L345 VanDerWaalsContact O-CG 3.29Å; G341-L345 WeakPolarHBondContact O-CG 3.44Å; G341-L345 PolarHBondContact O-N 3.44Å; N342-L345 PolarHBondContact O-N 3.04Å; A343-L345 PolarHBondContact O-N 3.24Å; L345-G349 WeakPolarHBondContact O-CA 3.33Å; L345-G349 PolarHBondContact O-N 3.4Å
346I90.1Very high88.8Confident40 Ų4026.4 Ų26.421%0.20518%0.175CC..Hα-helixtrans-66.8-44.8176.8-69.3168.6000110L332 F338 N342 A343 G348 V350L332-I346 HydrophobicContact CD1-CG2 4.33Å; F338-I346 HydrophobicContact CD2-CD1 3.75Å; F338-I346 HydrophobicContact CE1-CD1 4.47Å; F338-I346 HydrophobicContact CE2-CD1 3.27Å; F338-I346 HydrophobicContact CZ-CD1 3.68Å; N342-I346 WeakPolarHBondContact O-CG1 3.21Å; N342-I346 PolarHBondContact O-N 2.87Å; A343-I346 PolarHBondContact O-N 2.89Å; I346-G348 PolarHBondContact O-N 3.2Å; I346-V350 HydrophobicContact CG2-CG2 4.32Å; I346-V350 VanDerWaalsContact O-CB 3.24Å; I346-V350 WeakPolarHBondContact O-CB 3.4Å; I346-V350 WeakPolarHBondContact O-CG2 3.42Å; I346-V350 PolarHBondContact O-N 3.08Å
347T90Very high89Confident4 Ų430.1 Ų30.13%0.02520%0.198CC..Iπ-helixtrans-57.4-49.7175.9-55.50000111.5F206 I328 A343 S344 V351F206-T347 HydrophobicContact CD1-CG2 3.87Å; F206-T347 HydrophobicContact CD2-CG2 4.5Å; F206-T347 HydrophobicContact CE1-CG2 3.65Å; F206-T347 HydrophobicContact CE2-CG2 4.32Å; F206-T347 HydrophobicContact CG-CG2 4.33Å; F206-T347 HydrophobicContact CZ-CG2 3.91Å; I328-T347 HydrophobicContact CB-CG2 4.49Å; I328-T347 HydrophobicContact CG2-CG2 3.55Å; I328-T347 WeakPolarHBondContact CG2-OG1 3.41Å; A343-T347 PolarHBondContact O-N 2.91Å; A343-T347 PolarHBondContact O-OG1 3Å; S344-T347 PolarHBondContact O-N 3.3Å; T347-V351 HydrophobicContact CG2-CG2 4.47Å; T347-V351 VanDerWaalsContact O-CB 3.25Å; T347-V351 WeakPolarHBondContact O-CB 3.28Å; T347-V351 PolarHBondContact O-N 3.29Å; T347-V351 VanDerWaalsContact O-N 3.1Å
348G88.4Confident89.4Confident2 Ų227 Ų272%0.02117%0.167CC..Iπ-helixtrans-68.7-43.6179.600000114.1S344 I346 P353S344-G348 PolarHBondContact O-N 2.91Å; I346-G348 PolarHBondContact O-N 3.2Å; G348-P353 WeakPolarHBondContact O-CD 3.28Å
349G87.3Confident89.6Confident45 Ų4527.2 Ų27.246%0.46417%0.172SC..Iπ-helixtrans-78.2-23.2-174.400000114.5L345 P353L345-G349 WeakPolarHBondContact O-CA 3.33Å; L345-G349 PolarHBondContact O-N 3.4Å; G349-P353 WeakPolarHBondContact O-CG 3.48Å
350V87.1Confident89.7Confident38 Ų3834 Ų3423%0.2320%0.196CC..Iπ-helixtrans-111.3-55.2-176.5-178.80000111.9I346 V352 V354 I497I346-V350 HydrophobicContact CG2-CG2 4.32Å; I346-V350 VanDerWaalsContact O-CB 3.24Å; I346-V350 WeakPolarHBondContact O-CB 3.4Å; I346-V350 WeakPolarHBondContact O-CG2 3.42Å; I346-V350 PolarHBondContact O-N 3.08Å; V350-V352 PolarHBondContact O-N 3.48Å; V350-V354 WeakPolarHBondContact O-CB 3.41Å; V350-V354 WeakPolarHBondContact O-CG2 3.49Å; V350-V354 PolarHBondContact O-N 2.94Å; V350-I497 HydrophobicContact CG1-CD1 3.63Å; V350-I497 HydrophobicContact CG1-CG1 3.3Å
351V86.8Confident89.9Confident13 Ų1336.3 Ų36.38%0.07921%0.207CC..Iπ-helixtrans-67.3-43.7-171-177.80000111.3T347 V354 G355 F496 F504T347-V351 HydrophobicContact CG2-CG2 4.47Å; T347-V351 VanDerWaalsContact O-CB 3.25Å; T347-V351 WeakPolarHBondContact O-CB 3.28Å; T347-V351 PolarHBondContact O-N 3.29Å; T347-V351 VanDerWaalsContact O-N 3.1Å; V351-V354 PolarHBondContact O-N 3.22Å; V351-G355 PolarHBondContact O-N 2.92Å; V351-F496 HydrophobicContact CG2-CD1 4Å; V351-F496 HydrophobicContact CG2-CE1 3.28Å; V351-F496 HydrophobicContact CG2-CZ 4.02Å; V351-F504 HydrophobicContact CG1-CE2 4.19Å
352V86.1Confident90.1Very high18 Ų1836.2 Ų36.211%0.10921%0.206CC..Hα-helixtrans-69.6-47.1-172.8-172.80000112.7A203 F206 V350 V354 G355 I356A203-V352 HydrophobicContact CB-CB 3.88Å; A203-V352 HydrophobicContact CB-CG1 3.4Å; A203-V352 VanDerWaalsContact CB-CG1 3.4Å; A203-V352 HydrophobicContact CB-CG2 4.21Å; F206-V352 HydrophobicContact CD2-CG2 4.47Å; V350-V352 PolarHBondContact O-N 3.48Å; V352-V354 VanDerWaalsContact C-N 3.31Å; V352-V354 PolarHBondContact O-N 3.49Å; V352-G355 PolarHBondContact O-N 3.41Å; V352-G355 VanDerWaalsContact O-N 3.14Å; V352-I356 HydrophobicContact CG1-CD1 4.19Å; V352-I356 WeakPolarHBondContact O-CG1 3.48Å; V352-I356 PolarHBondContact O-N 2.99Å
353P89Confident90Very high63 Ų6334.6 Ų34.641%0.40920%0.203SC..Hα-helixtrans-58.8-41.9174-2736.9000112.8G348 G349 G355 I356 V357G348-P353 WeakPolarHBondContact O-CD 3.28Å; G349-P353 WeakPolarHBondContact O-CG 3.48Å; P353-G355 VanDerWaalsContact C-N 3.31Å; P353-G355 PolarHBondContact O-N 2.82Å; P353-I356 PolarHBondContact O-N 3.27Å; P353-V357 WeakPolarHBondContact O-CG2 3.48Å; P353-V357 PolarHBondContact O-N 3.44Å
354V92Very high89.9Confident28 Ų2841.4 Ų41.417%0.1723%0.229CC..Hα-helixtrans-60.1-44175.3171.70000110.5V350 V351 V352 I356 V357 A358 I497 F501V350-V354 WeakPolarHBondContact O-CB 3.41Å; V350-V354 WeakPolarHBondContact O-CG2 3.49Å; V350-V354 PolarHBondContact O-N 2.94Å; V351-V354 PolarHBondContact O-N 3.22Å; V352-V354 VanDerWaalsContact C-N 3.31Å; V352-V354 PolarHBondContact O-N 3.49Å; V354-I356 PolarHBondContact O-N 3.42Å; V354-V357 PolarHBondContact O-N 2.91Å; V354-A358 WeakPolarHBondContact O-CB 3.43Å; V354-A358 PolarHBondContact O-N 3.34Å; V354-I497 HydrophobicContact CG1-CG2 4.46Å; V354-I497 HydrophobicContact CG2-CG1 4.49Å; V354-I497 HydrophobicContact CG2-CG2 3.99Å; V354-F501 HydrophobicContact CG1-CB 3.99Å
355G89.5Confident89.8Confident5 Ų542.9 Ų42.95%0.05224%0.236CC..Hα-helixtrans-61.8-41177.700000113.6V351 V352 P353 S359 F504V351-G355 PolarHBondContact O-N 2.92Å; V352-G355 PolarHBondContact O-N 3.41Å; V352-G355 VanDerWaalsContact O-N 3.14Å; P353-G355 VanDerWaalsContact C-N 3.31Å; P353-G355 PolarHBondContact O-N 2.82Å; G355-S359 WeakPolarHBondContact O-CB 3.39Å; G355-S359 PolarHBondContact O-N 3.07Å; G355-S359 PolarHBondContact O-OG 3.04Å; G355-F504 VanDerWaalsContact CA-CG 3.43Å
356I87.9Confident89.7Confident69 Ų6942 Ų4235%0.35423%0.233SC..Hα-helixtrans-64.4-49.6176.3-66.4169.3000110.7T199 V352 P353 V354 S359 Y360T199-I356 HydrophobicContact CG2-CG1 4.39Å; V352-I356 HydrophobicContact CG1-CD1 4.19Å; V352-I356 WeakPolarHBondContact O-CG1 3.48Å; V352-I356 PolarHBondContact O-N 2.99Å; P353-I356 PolarHBondContact O-N 3.27Å; V354-I356 PolarHBondContact O-N 3.42Å; I356-S359 PolarHBondContact O-N 2.94Å; I356-Y360 WeakPolarHBondContact O-CB 3.3Å; I356-Y360 PolarHBondContact O-N 3.46Å
357V91.2Very high89.5Confident84 Ų8446.2 Ų46.251%0.50925%0.25SC..Hα-helixtrans-63.8-46.4-179.51740000111P353 V354 Y360 I361P353-V357 WeakPolarHBondContact O-CG2 3.48Å; P353-V357 PolarHBondContact O-N 3.44Å; V354-V357 PolarHBondContact O-N 2.91Å; V357-Y360 PolarHBondContact O-N 3.08Å; V357-I361 HydrophobicContact CG1-CD1 3.9Å; V357-I361 WeakPolarHBondContact O-CG1 3.36Å; V357-I361 PolarHBondContact O-N 3.41Å
358A93.8Very high89.4Confident0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-63.1-43.7178.700000111.9V354 Y360 I361 G362 F501 F504 I505V354-A358 WeakPolarHBondContact O-CB 3.43Å; V354-A358 PolarHBondContact O-N 3.34Å; A358-Y360 VanDerWaalsContact C-N 3.34Å; A358-Y360 PolarHBondContact O-N 3.01Å; A358-I361 PolarHBondContact O-N 3.45Å; A358-G362 PolarHBondContact O-N 3.15Å; A358-F501 HydrophobicContact CB-CD2 3.68Å; A358-F501 HydrophobicContact CB-CE2 4.04Å; A358-F501 HydrophobicContact CB-CG 4.31Å; A358-F504 HydrophobicContact CB-CB 3.7Å; A358-I505 HydrophobicContact CB-CB 4.32Å; A358-I505 WeakPolarHBondContact O-CA 3.4Å
359S91.1Very high89.3Confident39 Ų3953.4 Ų53.427%0.27329%0.285SS..Hα-helixtrans-64.6-37.9176.7-59.90000112G355 I356 G362 G363 P508G355-S359 WeakPolarHBondContact O-CB 3.39Å; G355-S359 PolarHBondContact O-N 3.07Å; G355-S359 PolarHBondContact O-OG 3.04Å; I356-S359 PolarHBondContact O-N 2.94Å; S359-G362 PolarHBondContact O-N 2.98Å; S359-G363 PolarHBondContact O-N 2.97Å; S359-P508 VanDerWaalsContact O-CG 3.3Å; S359-P508 WeakPolarHBondContact O-CG 3.5Å
360Y89.1Confident88.8Confident161 Ų16157.2 Ų57.263%0.63129%0.291SS*.Hα-helixtrans-62.6-47.1174.3175.8-102.5000111.7I356 V357 A358 G363 R364I356-Y360 WeakPolarHBondContact O-CB 3.3Å; I356-Y360 PolarHBondContact O-N 3.46Å; V357-Y360 PolarHBondContact O-N 3.08Å; A358-Y360 VanDerWaalsContact C-N 3.34Å; A358-Y360 PolarHBondContact O-N 3.01Å; Y360-G363 PolarHBondContact O-N 2.95Å; Y360-R364 HydrophobicContact CE1-CG 4.3Å; Y360-R364 PolarHBondContact O-N 2.85Å; Y360-R364 VanDerWaalsContact O-N 3.09Å
361I93.1Very high88.4Confident61 Ų6162.5 Ų62.531%0.31332%0.318SS..Hα-helixtrans-61.2-45.7176.2-65.8166.7000110.4V357 A358 G363 R364 I365 F501 I505V357-I361 HydrophobicContact CG1-CD1 3.9Å; V357-I361 WeakPolarHBondContact O-CG1 3.36Å; V357-I361 PolarHBondContact O-N 3.41Å; A358-I361 PolarHBondContact O-N 3.45Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 3.3Å; I361-R364 WeakPolarHBondContact O-CB 3.42Å; I361-R364 PolarHBondContact O-N 3.22Å; I361-I365 HydrophobicContact CG2-CD1 3.77Å; I361-I365 HydrophobicContact CG2-CG1 4.36Å; I361-I365 WeakPolarHBondContact O-CG1 3.34Å; I361-I365 PolarHBondContact O-N 3.04Å; I361-F501 HydrophobicContact CD1-CE2 4.19Å; I361-I505 HydrophobicContact CG2-CD1 3.95Å; I361-I505 HydrophobicContact CG2-CG1 4.39Å
362G91.8Very high88.3Confident0 Ų069 Ų690%034%0.341CS..Hα-helixtrans-57.9-40.7175.800000112.9A358 S359 R364 I365 S366 I505 V509A358-G362 PolarHBondContact O-N 3.15Å; S359-G362 PolarHBondContact O-N 2.98Å; G362-R364 VanDerWaalsContact C-N 3.31Å; G362-R364 PolarHBondContact O-N 2.98Å; G362-I365 PolarHBondContact O-N 3.38Å; G362-S366 PolarHBondContact O-N 3.5Å; G362-I505 VanDerWaalsContact CA-O 3.29Å; G362-I505 WeakPolarHBondContact CA-O 3.25Å; G362-V509 VanDerWaalsContact O-CG2 3.29Å; G362-V509 WeakPolarHBondContact O-CG2 3.46Å
363G89.1Confident88.4Confident24 Ų2468.3 Ų68.325%0.24734%0.337CS..Hα-helixtrans-68.2-25.8174.800000114.2S359 Y360 I361 S366S359-G363 PolarHBondContact O-N 2.97Å; Y360-G363 PolarHBondContact O-N 2.95Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 3.3Å; G363-S366 PolarHBondContact O-OG 2.85Å
364R89.2Confident88.4Confident144 Ų14468.9 Ų68.954%0.54333%0.333SS..Hα-helixtrans-76.6-41.9170.2-68.6-67.7-60.9176.52.6111.1Y360 I361 G362 S366 K367Y360-R364 HydrophobicContact CE1-CG 4.3Å; Y360-R364 PolarHBondContact O-N 2.85Å; Y360-R364 VanDerWaalsContact O-N 3.09Å; I361-R364 WeakPolarHBondContact O-CB 3.42Å; I361-R364 PolarHBondContact O-N 3.22Å; G362-R364 VanDerWaalsContact C-N 3.31Å; G362-R364 PolarHBondContact O-N 2.98Å; R364-S366 VanDerWaalsContact C-N 3.31Å; R364-S366 PolarHBondContact O-N 3.32Å; R364-K367 WeakPolarHBondContact O-CB 3.49Å; R364-K367 PolarHBondContact O-N 3.08Å
365I91.6Very high88.4Confident31 Ų3170 Ų7016%0.15934%0.34CS..Hα-helixtrans-63.7-36.9177.9-70.4171.5000111.3I361 G362 K367 L368 F369 F379 I505 V509I361-I365 HydrophobicContact CG2-CD1 3.77Å; I361-I365 HydrophobicContact CG2-CG1 4.36Å; I361-I365 WeakPolarHBondContact O-CG1 3.34Å; I361-I365 PolarHBondContact O-N 3.04Å; G362-I365 PolarHBondContact O-N 3.38Å; I365-K367 PolarHBondContact O-N 3Å; I365-K367 VanDerWaalsContact O-N 3.1Å; I365-L368 VanDerWaalsContact O-CB 3.29Å; I365-L368 WeakPolarHBondContact O-CB 3.33Å; I365-L368 PolarHBondContact O-N 3.44Å; I365-F369 HydrophobicContact CG2-CD2 3.91Å; I365-F369 HydrophobicContact CG2-CE2 3.44Å; I365-F369 VanDerWaalsContact CG2-CE2 3.44Å; I365-F369 HydrophobicContact CG2-CZ 4.44Å; I365-F379 HydrophobicContact CD1-CE2 4.44Å; I365-F379 HydrophobicContact CD1-CZ 4Å; I365-F379 HydrophobicContact CG2-CE1 4.37Å; I365-F379 HydrophobicContact CG2-CE2 4.23Å; I365-F379 HydrophobicContact CG2-CZ 4.06Å; I365-I505 HydrophobicContact CD1-CD1 3.88Å; I365-I505 HydrophobicContact CD1-CG1 4.3Å; I365-V509 HydrophobicContact CB-CG2 4.42Å; I365-V509 HydrophobicContact CG2-CG2 4.16Å
366S88.4Confident88.6Confident14 Ų1469.8 Ų69.810%0.09834%0.338CS..Hα-helixtrans-59.5-26-179.968.80000114.3G362 G363 R364 F369 E370 S512 R516G362-S366 PolarHBondContact O-N 3.5Å; G363-S366 PolarHBondContact O-OG 2.85Å; R364-S366 VanDerWaalsContact C-N 3.31Å; R364-S366 PolarHBondContact O-N 3.32Å; S366-F369 PolarHBondContact O-N 3.48Å; S366-E370 PolarHBondContact O-N 2.03Å; S366-S512 VanDerWaalsContact CB-OG 3.25Å; S366-S512 WeakPolarHBondContact CB-OG 3.32Å; S366-R516 PolarHBondContact O-NH2 2.91Å
367K86.9Confident88.9Confident128 Ų12866.5 Ų66.556%0.55732%0.321SS*.Hα-helixtrans-71.1-33.2173.3-60.6-173.5178.9-170.70112.5R364 I365 F369 E370R364-K367 WeakPolarHBondContact O-CB 3.49Å; R364-K367 PolarHBondContact O-N 3.08Å; I365-K367 PolarHBondContact O-N 3Å; I365-K367 VanDerWaalsContact O-N 3.1Å; K367-F369 PolarHBondContact O-N 2.87Å; K367-E370 VanDerWaalsContact O-CB 3.32Å; K367-E370 WeakPolarHBondContact O-CB 3.29Å; K367-E370 PolarHBondContact O-N 2.69Å; K367-E370 VanDerWaalsContact O-N 3.16Å
368L88Confident89Confident124 Ų12468 Ų6865%0.64932%0.319SS*.Hα-helixtrans-64.5-25.7175.3-57.7175.4000111.7I365I365-L368 VanDerWaalsContact O-CB 3.29Å; I365-L368 WeakPolarHBondContact O-CB 3.33Å; I365-L368 PolarHBondContact O-N 3.44Å
369F86.5Confident89.1Confident32 Ų3269.8 Ų69.814%0.1433%0.326CS..THydrogen-bonded Turntrans-97.110.1178.2-61.8-57000113.9I365 S366 K367 N371 R372 P375 F379 V509 R516I365-F369 HydrophobicContact CG2-CD2 3.91Å; I365-F369 HydrophobicContact CG2-CE2 3.44Å; I365-F369 VanDerWaalsContact CG2-CE2 3.44Å; I365-F369 HydrophobicContact CG2-CZ 4.44Å; S366-F369 PolarHBondContact O-N 3.48Å; K367-F369 PolarHBondContact O-N 2.87Å; F369-N371 PolarHBondContact O-N 2.85Å; F369-R372 PolarHBondContact O-N 3.32Å; F369-P375 HydrophobicContact CD1-CB 4.01Å; F369-P375 HydrophobicContact CE1-CB 3.93Å; F369-F379 HydrophobicContact CE2-CB 4.07Å; F369-F379 HydrophobicContact CE2-CD1 4.45Å; F369-F379 HydrophobicContact CE2-CD2 4.12Å; F369-F379 AromaticContact CE2-CG 3.96Å; F369-F379 HydrophobicContact CE2-CG 3.96Å; F369-F379 HydrophobicContact CZ-CB 4.02Å; F369-F379 HydrophobicContact CZ-CD2 4.13Å; F369-F379 HydrophobicContact CZ-CG 4.18Å; F369-V509 HydrophobicContact CD2-CG1 4.31Å; F369-R516 PolarHBondContact O-NH1 3.36Å
370E77.2Confident89.3Confident125 Ų12568.4 Ų68.458%0.58432%0.316SS*.THydrogen-bonded Turntrans-46.7-36.1-168.7-170.1165.6-170.800114.9S366 K367 R516S366-E370 PolarHBondContact O-N 2.03Å; K367-E370 VanDerWaalsContact O-CB 3.32Å; K367-E370 WeakPolarHBondContact O-CB 3.29Å; K367-E370 PolarHBondContact O-N 2.69Å; K367-E370 VanDerWaalsContact O-N 3.16Å; E370-R516 VanDerWaalsContact O-CZ 3.32Å; E370-R516 PolarHBondContact O-NH1 2.86Å
371N77.1Confident89.7Confident150 Ų15062.1 Ų62.180%0.80229%0.293SS*.THydrogen-bonded Turntrans-112.512.6179.3-63.8-35.5000114.7F369F369-N371 PolarHBondContact O-N 2.85Å
372R84.9Confident89.9Confident148 Ų14863.4 Ų63.456%0.55830%0.304SS*.  trans-130.485.5-168.6-70.5-166.7-81-172.5-5.2111.5F369 P375 S376F369-R372 PolarHBondContact O-N 3.32Å; R372-P375 HydrophobicContact CB-CB 4.31Å; R372-P375 HydrophobicContact CB-CG 3.89Å; R372-S376 PolarHBondContact O-N 3.41Å
373F88Confident90.1Very high5 Ų565.1 Ų65.12%0.02231%0.311CS..Hα-helixtrans-64.6-52.5-179.1-176.9-99.2000112.5T306 V310 S376 M377 V517 Y600T306-F373 HydrophobicContact CG2-CE1 4.18Å; T306-F373 HydrophobicContact CG2-CZ 4.15Å; V310-F373 HydrophobicContact CG2-CZ 4.23Å; F373-S376 WeakPolarHBondContact O-CB 3.21Å; F373-S376 PolarHBondContact O-N 3.31Å; F373-S376 VanDerWaalsContact O-N 3.11Å; F373-M377 HydrophobicContact CD1-CG 4.03Å; F373-M377 HydrophobicContact CD2-CE 4.1Å; F373-M377 HydrophobicContact CE1-CG 3.62Å; F373-M377 HydrophobicContact CE1-SD 4.09Å; F373-M377 HydrophobicContact CE2-CE 3.65Å; F373-M377 HydrophobicContact CE2-CG 4.35Å; F373-M377 HydrophobicContact CE2-SD 3.98Å; F373-M377 HydrophobicContact CZ-CE 3.93Å; F373-M377 HydrophobicContact CZ-CG 3.79Å; F373-M377 HydrophobicContact CZ-SD 3.61Å; F373-M377 WeakPolarHBondContact O-CG 3.34Å; F373-M377 PolarHBondContact O-N 2.94Å; F373-M377 VanDerWaalsContact O-N 3.08Å; F373-V517 HydrophobicContact CD2-CG2 4.18Å; F373-V517 HydrophobicContact CE2-CG2 3.4Å; F373-V517 HydrophobicContact CZ-CG2 3.74Å; F373-Y600 HydrophobicContact CB-CD1 3.98Å; F373-Y600 HydrophobicContact CB-CE1 3.59Å; F373-Y600 HydrophobicContact CB-CE2 4.38Å; F373-Y600 AromaticContact CD1-CD1 3.6Å; F373-Y600 HydrophobicContact CD1-CD1 3.6Å; F373-Y600 AromaticContact CD1-CD2 3.75Å; F373-Y600 HydrophobicContact CD1-CD2 3.75Å; F373-Y600 HydrophobicContact CD1-CE1 4.06Å; F373-Y600 HydrophobicContact CD1-CE2 4.2Å; F373-Y600 AromaticContact CD1-CG 3.41Å; F373-Y600 HydrophobicContact CD1-CG 3.41Å; F373-Y600 VanDerWaalsContact CD1-CG 3.41Å; F373-Y600 HydrophobicContact CE1-CD1 4.46Å; F373-Y600 AromaticContact CE1-CD2 3.99Å; F373-Y600 HydrophobicContact CE1-CD2 3.99Å; F373-Y600 AromaticContact CE1-CG 3.84Å; F373-Y600 HydrophobicContact CE1-CG 3.84Å; F373-Y600 HydrophobicContact CG-CD1 4.07Å; F373-Y600 HydrophobicContact CG-CD2 4.15Å; F373-Y600 HydrophobicContact CG-CE1 4.04Å; F373-Y600 HydrophobicContact CG-CE2 4.13Å; F373-Y600 HydrophobicContact CG-CG 4.11Å
374K90.6Very high90.4Very high75 Ų7564.7 Ų64.733%0.32631%0.307SS..Hα-helixtrans-58.9-48.2-176.8-60.5178.5-179.61780112.8S376 M377 Y378 A597 Y600K374-S376 VanDerWaalsContact C-N 3.29Å; K374-S376 PolarHBondContact O-N 2.87Å; K374-M377 PolarHBondContact O-N 2.92Å; K374-M377 VanDerWaalsContact O-N 3.08Å; K374-Y378 HydrophobicContact CB-CE2 4.18Å; K374-Y378 WeakPolarHBondContact O-CD2 3.28Å; K374-Y378 PolarHBondContact O-N 3.31Å; K374-A597 VanDerWaalsContact CE-O 3.3Å; K374-A597 WeakPolarHBondContact CE-O 3.35Å; K374-A597 HydrophobicContact CG-CB 4.49Å; K374-Y600 WeakPolarHBondContact CE-O 2.97Å
375P92.3Very high90.8Very high51 Ų5163.4 Ų63.433%0.33131%0.31SS..Hα-helixtrans-58.6-36.3174.4-2939.5000114.2F369 R372 M377 Y378 F379F369-P375 HydrophobicContact CD1-CB 4.01Å; F369-P375 HydrophobicContact CE1-CB 3.93Å; R372-P375 HydrophobicContact CB-CB 4.31Å; R372-P375 HydrophobicContact CB-CG 3.89Å; P375-M377 VanDerWaalsContact C-N 3.33Å; P375-M377 PolarHBondContact O-N 2.9Å; P375-Y378 PolarHBondContact O-N 2.7Å; P375-F379 WeakPolarHBondContact O-CB 3.04Å; P375-F379 PolarHBondContact O-N 3.05Å
376S92.3Very high91Very high0 Ų065.9 Ų65.90%032%0.322CS..Hα-helixtrans-63.4-39.3174.4179.50000112R372 F373 K374 F379 V380 V509 S513R372-S376 PolarHBondContact O-N 3.41Å; F373-S376 WeakPolarHBondContact O-CB 3.21Å; F373-S376 PolarHBondContact O-N 3.31Å; F373-S376 VanDerWaalsContact O-N 3.11Å; K374-S376 VanDerWaalsContact C-N 3.29Å; K374-S376 PolarHBondContact O-N 2.87Å; S376-F379 PolarHBondContact O-N 2.85Å; S376-V380 WeakPolarHBondContact O-CG2 3.46Å; S376-V380 PolarHBondContact O-N 2.98Å; S376-V509 WeakPolarHBondContact OG-CG1 3.32Å; S376-S513 WeakPolarHBondContact CB-OG 3.34Å; S376-S513 PolarHBondContact OG-OG 3.49Å
377M94.1Very high91.4Very high0 Ų065.3 Ų65.30%032%0.318CS..Hα-helixtrans-67.6-44177.8-60.6-57.9103.100110.9F373 K374 P375 F379 V380 I381 S513 L593 A597F373-M377 HydrophobicContact CD1-CG 4.03Å; F373-M377 HydrophobicContact CD2-CE 4.1Å; F373-M377 HydrophobicContact CE1-CG 3.62Å; F373-M377 HydrophobicContact CE1-SD 4.09Å; F373-M377 HydrophobicContact CE2-CE 3.65Å; F373-M377 HydrophobicContact CE2-CG 4.35Å; F373-M377 HydrophobicContact CE2-SD 3.98Å; F373-M377 HydrophobicContact CZ-CE 3.93Å; F373-M377 HydrophobicContact CZ-CG 3.79Å; F373-M377 HydrophobicContact CZ-SD 3.61Å; F373-M377 WeakPolarHBondContact O-CG 3.34Å; F373-M377 PolarHBondContact O-N 2.94Å; F373-M377 VanDerWaalsContact O-N 3.08Å; K374-M377 PolarHBondContact O-N 2.92Å; K374-M377 VanDerWaalsContact O-N 3.08Å; P375-M377 VanDerWaalsContact C-N 3.33Å; P375-M377 PolarHBondContact O-N 2.9Å; M377-F379 VanDerWaalsContact C-N 3.31Å; M377-F379 PolarHBondContact O-N 3.28Å; M377-V380 PolarHBondContact O-N 3.47Å; M377-I381 VanDerWaalsContact O-CG1 3.31Å; M377-I381 WeakPolarHBondContact O-CG1 3.1Å; M377-I381 PolarHBondContact O-N 3.38Å; M377-S513 VanDerWaalsContact CE-CB 3.46Å; M377-L593 HydrophobicContact SD-CD2 3.52Å; M377-L593 VanDerWaalsContact SD-CD2 3.52Å; M377-A597 HydrophobicContact CB-CB 4.03Å; M377-A597 HydrophobicContact CG-CB 4.21Å
378Y94.4Very high91.8Very high116 Ų11660 Ų6046%0.45530%0.298SS..Hα-helixtrans-60.9-39.5175.6-65.7-54.2000112.5K374 P375 V380 I381 V382 F594K374-Y378 HydrophobicContact CB-CE2 4.18Å; K374-Y378 WeakPolarHBondContact O-CD2 3.28Å; K374-Y378 PolarHBondContact O-N 3.31Å; P375-Y378 PolarHBondContact O-N 2.7Å; Y378-V380 PolarHBondContact O-N 3.32Å; Y378-I381 HydrophobicContact CD1-CD1 4.36Å; Y378-I381 PolarHBondContact O-N 2.9Å; Y378-V382 WeakPolarHBondContact O-CG2 2.89Å; Y378-V382 PolarHBondContact O-N 3.23Å; Y378-F594 HydrophobicContact CE1-CD2 4.38Å
379F95.5Very high92.1Very high38 Ų3856.3 Ų56.317%0.16729%0.29CS..Hα-helixtrans-57.5-47.7173.4177.6-89000111.8I365 F369 P375 S376 M377 I381 V382 F383 I505 V509I365-F379 HydrophobicContact CD1-CE2 4.44Å; I365-F379 HydrophobicContact CD1-CZ 4Å; I365-F379 HydrophobicContact CG2-CE1 4.37Å; I365-F379 HydrophobicContact CG2-CE2 4.23Å; I365-F379 HydrophobicContact CG2-CZ 4.06Å; F369-F379 HydrophobicContact CE2-CB 4.07Å; F369-F379 HydrophobicContact CE2-CD1 4.45Å; F369-F379 HydrophobicContact CE2-CD2 4.12Å; F369-F379 AromaticContact CE2-CG 3.96Å; F369-F379 HydrophobicContact CE2-CG 3.96Å; F369-F379 HydrophobicContact CZ-CB 4.02Å; F369-F379 HydrophobicContact CZ-CD2 4.13Å; F369-F379 HydrophobicContact CZ-CG 4.18Å; P375-F379 WeakPolarHBondContact O-CB 3.04Å; P375-F379 PolarHBondContact O-N 3.05Å; S376-F379 PolarHBondContact O-N 2.85Å; M377-F379 VanDerWaalsContact C-N 3.31Å; M377-F379 PolarHBondContact O-N 3.28Å; F379-I381 VanDerWaalsContact C-N 3.35Å; F379-I381 PolarHBondContact O-N 3.35Å; F379-V382 PolarHBondContact O-N 2.84Å; F379-F383 HydrophobicContact CD1-CD2 4.26Å; F379-F383 HydrophobicContact CD2-CD2 4.12Å; F379-F383 HydrophobicContact CD2-CE2 4Å; F379-F383 AromaticContact CE1-CD2 3.86Å; F379-F383 HydrophobicContact CE1-CD2 3.86Å; F379-F383 HydrophobicContact CE1-CE2 4.1Å; F379-F383 HydrophobicContact CE1-CG 4.5Å; F379-F383 AromaticContact CE2-CD2 3.73Å; F379-F383 HydrophobicContact CE2-CD2 3.73Å; F379-F383 AromaticContact CE2-CE2 3.28Å; F379-F383 HydrophobicContact CE2-CE2 3.28Å; F379-F383 HydrophobicContact CE2-CZ 4.19Å; F379-F383 HydrophobicContact CG-CD2 4.37Å; F379-F383 AromaticContact CZ-CD2 3.58Å; F379-F383 HydrophobicContact CZ-CD2 3.58Å; F379-F383 AromaticContact CZ-CE2 3.33Å; F379-F383 HydrophobicContact CZ-CE2 3.33Å; F379-F383 HydrophobicContact CZ-CG 4.44Å; F379-F383 HydrophobicContact CZ-CZ 4Å; F379-F383 PolarHBondContact O-N 3.22Å; F379-I505 HydrophobicContact CZ-CD1 4.38Å; F379-V509 HydrophobicContact CD1-CG1 4.1Å; F379-V509 HydrophobicContact CD1-CG2 4.45Å; F379-V509 HydrophobicContact CE1-CG2 4.12Å
380V95.8Very high92.6Very high10 Ų1055.9 Ų55.96%0.06129%0.291CS..Hα-helixtrans-65-38.7178.5177.30000111.2S376 M377 Y378 G384 T506 V509 L510 L593S376-V380 WeakPolarHBondContact O-CG2 3.46Å; S376-V380 PolarHBondContact O-N 2.98Å; M377-V380 PolarHBondContact O-N 3.47Å; Y378-V380 PolarHBondContact O-N 3.32Å; V380-G384 PolarHBondContact O-N 2.96Å; V380-T506 HydrophobicContact CG1-CG2 4.33Å; V380-T506 HydrophobicContact CG2-CG2 4.49Å; V380-V509 HydrophobicContact CG2-CB 4.44Å; V380-V509 HydrophobicContact CG2-CG1 4.04Å; V380-L510 HydrophobicContact CG2-CB 4.45Å; V380-L593 HydrophobicContact CB-CD1 4.01Å; V380-L593 HydrophobicContact CG1-CD1 3.48Å; V380-L593 VanDerWaalsContact CG1-CD1 3.48Å
381I96.8Very high93.4Very high28 Ų2850 Ų5014%0.14426%0.263CS..Hα-helixtrans-62.5-47175.7-67.8165.2000110.9M377 Y378 F379 F383 G384 I385 L593 F594M377-I381 VanDerWaalsContact O-CG1 3.31Å; M377-I381 WeakPolarHBondContact O-CG1 3.1Å; M377-I381 PolarHBondContact O-N 3.38Å; Y378-I381 HydrophobicContact CD1-CD1 4.36Å; Y378-I381 PolarHBondContact O-N 2.9Å; F379-I381 VanDerWaalsContact C-N 3.35Å; F379-I381 PolarHBondContact O-N 3.35Å; I381-F383 PolarHBondContact O-N 2.92Å; I381-G384 CarbonylContact O-C 3.07Å; I381-G384 WeakPolarHBondContact O-CA 3.46Å; I381-G384 PolarHBondContact O-N 2.93Å; I381-G384 VanDerWaalsContact O-N 3.13Å; I381-I385 HydrophobicContact CG2-CD1 3.99Å; I381-I385 WeakPolarHBondContact O-CG1 2.9Å; I381-I385 PolarHBondContact O-N 3.15Å; I381-L593 HydrophobicContact CD1-CB 3.85Å; I381-L593 HydrophobicContact CG1-CB 3.74Å; I381-L593 HydrophobicContact CG1-CD1 4.04Å; I381-F594 HydrophobicContact CD1-CB 4.28Å
382V97.1Very high94.2Very high89 Ų8944.6 Ų44.654%0.53924%0.237SC..Hα-helixtrans-60.6-48.5179.7169.20000111.1Y378 F379 G384 I385 M386Y378-V382 WeakPolarHBondContact O-CG2 2.89Å; Y378-V382 PolarHBondContact O-N 3.23Å; F379-V382 PolarHBondContact O-N 2.84Å; V382-G384 VanDerWaalsContact C-N 3.27Å; V382-G384 PolarHBondContact O-N 3.43Å; V382-I385 PolarHBondContact O-N 2.97Å; V382-M386 PolarHBondContact O-N 2.65Å
383F96.6Very high94.6Very high35 Ų3537.5 Ų37.515%0.15421%0.21CC..Hα-helixtrans-67.6-28.9175.8-87.9-93.6000112.6F379 I381 M386 A387 F501 C502 I505 T506F379-F383 HydrophobicContact CD1-CD2 4.26Å; F379-F383 HydrophobicContact CD2-CD2 4.12Å; F379-F383 HydrophobicContact CD2-CE2 4Å; F379-F383 AromaticContact CE1-CD2 3.86Å; F379-F383 HydrophobicContact CE1-CD2 3.86Å; F379-F383 HydrophobicContact CE1-CE2 4.1Å; F379-F383 HydrophobicContact CE1-CG 4.5Å; F379-F383 AromaticContact CE2-CD2 3.73Å; F379-F383 HydrophobicContact CE2-CD2 3.73Å; F379-F383 AromaticContact CE2-CE2 3.28Å; F379-F383 HydrophobicContact CE2-CE2 3.28Å; F379-F383 HydrophobicContact CE2-CZ 4.19Å; F379-F383 HydrophobicContact CG-CD2 4.37Å; F379-F383 AromaticContact CZ-CD2 3.58Å; F379-F383 HydrophobicContact CZ-CD2 3.58Å; F379-F383 AromaticContact CZ-CE2 3.33Å; F379-F383 HydrophobicContact CZ-CE2 3.33Å; F379-F383 HydrophobicContact CZ-CG 4.44Å; F379-F383 HydrophobicContact CZ-CZ 4Å; F379-F383 PolarHBondContact O-N 3.22Å; I381-F383 PolarHBondContact O-N 2.92Å; F383-M386 HydrophobicContact CD1-CE 3.33Å; F383-M386 HydrophobicContact CE1-CE 3.26Å; F383-M386 HydrophobicContact CG-CE 4.13Å; F383-M386 HydrophobicContact CZ-CE 3.99Å; F383-M386 PolarHBondContact O-N 2.89Å; F383-A387 WeakPolarHBondContact O-CB 3.32Å; F383-A387 PolarHBondContact O-N 3.2Å; F383-F501 HydrophobicContact CE1-CE1 4.27Å; F383-C502 HydrophobicContact CD1-CB 4.28Å; F383-I505 HydrophobicContact CD1-CG2 3.5Å; F383-I505 HydrophobicContact CE1-CD1 4.16Å; F383-I505 HydrophobicContact CE1-CG2 3.7Å; F383-I505 HydrophobicContact CG-CG2 4.14Å; F383-I505 HydrophobicContact CZ-CD1 4.21Å; F383-T506 HydrophobicContact CB-CG2 3.37Å; F383-T506 HydrophobicContact CG-CG2 4.14Å
384G95.9Very high94.8Very high16 Ų1637.5 Ų37.517%0.16521%0.211CC..Hα-helixtrans-65.4-41171.900000112.9V380 I381 V382 A387 A388V380-G384 PolarHBondContact O-N 2.96Å; I381-G384 CarbonylContact O-C 3.07Å; I381-G384 WeakPolarHBondContact O-CA 3.46Å; I381-G384 PolarHBondContact O-N 2.93Å; I381-G384 VanDerWaalsContact O-N 3.13Å; V382-G384 VanDerWaalsContact C-N 3.27Å; V382-G384 PolarHBondContact O-N 3.43Å; G384-A387 PolarHBondContact O-N 3.49Å; G384-A388 PolarHBondContact O-N 3.28Å
385I96.5Very high94.9Very high116 Ų11635.7 Ų35.760%0.59520%0.204SC*.Hα-helixtrans-65.8-43.4173.5-66.3164.9000110.2I381 V382 A387 A388 G389I381-I385 HydrophobicContact CG2-CD1 3.99Å; I381-I385 WeakPolarHBondContact O-CG1 2.9Å; I381-I385 PolarHBondContact O-N 3.15Å; V382-I385 PolarHBondContact O-N 2.97Å; I385-A387 PolarHBondContact O-N 3.34Å; I385-A388 WeakPolarHBondContact O-CB 3.41Å; I385-A388 PolarHBondContact O-N 3.2Å; I385-G389 PolarHBondContact O-N 3.45Å
386M96.6Very high94.8Very high84 Ų8434.7 Ų34.741%0.41420%0.196SC..Hα-helixtrans-61.8-43.1175.4-171.3162.46500111.6V382 F383 A388 G389 C390 C502V382-M386 PolarHBondContact O-N 2.65Å; F383-M386 HydrophobicContact CD1-CE 3.33Å; F383-M386 HydrophobicContact CE1-CE 3.26Å; F383-M386 HydrophobicContact CG-CE 4.13Å; F383-M386 HydrophobicContact CZ-CE 3.99Å; F383-M386 PolarHBondContact O-N 2.89Å; M386-A388 PolarHBondContact O-N 3.42Å; M386-G389 PolarHBondContact O-N 3.35Å; M386-C390 PolarHBondContact O-N 3.28Å; M386-C390 PolarHBondContact O-SG 3.34Å; M386-C390 VanDerWaalsContact O-SG 3.35Å; M386-C502 WeakPolarHBondContact CE-SG 3.37Å
387A95.7Very high94.6Very high1 Ų138.9 Ų38.91%0.00821%0.211CC..Hα-helixtrans-60.4-43.3173.600000111.8F383 G384 I385 G389 C390 S391 L499 C502 I503F383-A387 WeakPolarHBondContact O-CB 3.32Å; F383-A387 PolarHBondContact O-N 3.2Å; G384-A387 PolarHBondContact O-N 3.49Å; I385-A387 PolarHBondContact O-N 3.34Å; A387-G389 VanDerWaalsContact C-N 3.32Å; A387-G389 PolarHBondContact O-N 3.44Å; A387-C390 PolarHBondContact O-N 3.03Å; A387-S391 PolarHBondContact O-N 3.35Å; A387-L499 HydrophobicContact CB-CD1 4.08Å; A387-L499 WeakPolarHBondContact O-CD1 3.42Å; A387-C502 HydrophobicContact CB-CB 3.77Å; A387-I503 HydrophobicContact CB-CG1 4.3Å
388A95.8Very high94.2Very high18 Ų1839.6 Ų39.615%0.14922%0.216CC..Hα-helixtrans-60.5-41.517500000111.7G384 I385 M386 S391 K586G384-A388 PolarHBondContact O-N 3.28Å; I385-A388 WeakPolarHBondContact O-CB 3.41Å; I385-A388 PolarHBondContact O-N 3.2Å; M386-A388 PolarHBondContact O-N 3.42Å; A388-S391 WeakPolarHBondContact O-CB 3.5Å; A388-S391 PolarHBondContact O-N 3.01Å; A388-S391 PolarHBondContact O-OG 3.38Å; A388-K586 HydrophobicContact CB-CB 4.05Å; A388-K586 HydrophobicContact CB-CG 4.34Å
389G95.4Very high93.4Very high46 Ų4640.6 Ų40.647%0.47423%0.225SC..Hα-helixtrans-62.3-48.5173.100000112.8I385 M386 A387 S391 S392I385-G389 PolarHBondContact O-N 3.45Å; M386-G389 PolarHBondContact O-N 3.35Å; A387-G389 VanDerWaalsContact C-N 3.32Å; A387-G389 PolarHBondContact O-N 3.44Å; G389-S391 PolarHBondContact O-N 2.01Å; G389-S392 WeakPolarHBondContact O-CB 3.31Å; G389-S392 PolarHBondContact O-N 2.71Å; G389-S392 PolarHBondContact O-OG 3.2Å
390C95.5Very high92.2Very high23 Ų2342.1 Ų42.116%0.15524%0.241CC..Hα-helixtrans-64.8-23178.2-66.80000113.3M386 A387 S392 C393 L499M386-C390 PolarHBondContact O-N 3.28Å; M386-C390 PolarHBondContact O-SG 3.34Å; M386-C390 VanDerWaalsContact O-SG 3.35Å; A387-C390 PolarHBondContact O-N 3.03Å; C390-S392 PolarHBondContact O-N 3.35Å; C390-S392 VanDerWaalsContact O-N 3.09Å; C390-C393 WeakPolarHBondContact O-CB 3.23Å; C390-C393 PolarHBondContact O-N 3.47Å; C390-C393 PolarHBondContact O-SG 3.48Å; C390-C393 VanDerWaalsContact O-SG 3.33Å; C390-L499 HydrophobicContact CB-CB 3.93Å; C390-L499 HydrophobicContact CB-CD1 4.4Å
391S94.9Very high91.4Very high0 Ų043.7 Ų43.70%025%0.249CC..G310 helixtrans-63.3-13176.177.90000113.8A387 A388 G389 C393 L394 F579A387-S391 PolarHBondContact O-N 3.35Å; A388-S391 WeakPolarHBondContact O-CB 3.5Å; A388-S391 PolarHBondContact O-N 3.01Å; A388-S391 PolarHBondContact O-OG 3.38Å; G389-S391 PolarHBondContact O-N 2.01Å; S391-C393 PolarHBondContact O-N 3.28Å; S391-L394 WeakPolarHBondContact O-CB 3.44Å; S391-L394 WeakPolarHBondContact O-CG 3.47Å; S391-L394 PolarHBondContact O-N 3.34Å; S391-F579 WeakPolarHBondContact O-CD2 3.4Å; S391-F579 WeakPolarHBondContact OG-CD2 3.39Å; S391-F579 WeakPolarHBondContact OG-CE2 3.45Å
392S94.4Very high90.7Very high37 Ų3744.5 Ų44.526%0.25925%0.253SS..G310 helixtrans-59.8-12.8168.956.40000113.4G389 C390 L394 L395 M495 F579G389-S392 WeakPolarHBondContact O-CB 3.31Å; G389-S392 PolarHBondContact O-N 2.71Å; G389-S392 PolarHBondContact O-OG 3.2Å; C390-S392 PolarHBondContact O-N 3.35Å; C390-S392 VanDerWaalsContact O-N 3.09Å; S392-L394 PolarHBondContact O-N 3.09Å; S392-L395 WeakPolarHBondContact O-CB 3.39Å; S392-L395 PolarHBondContact O-N 3.3Å; S392-M495 WeakPolarHBondContact OG-CE 3.03Å; S392-F579 VanDerWaalsContact CA-CE2 3.49Å
393C92.8Very high90.1Very high0 Ų040.4 Ų40.40%023%0.228CC..G310 helixtrans-53.1-32.1167670000112.7C390 S391 L395 I396 F492 M495C390-C393 WeakPolarHBondContact O-CB 3.23Å; C390-C393 PolarHBondContact O-N 3.47Å; C390-C393 PolarHBondContact O-SG 3.48Å; C390-C393 VanDerWaalsContact O-SG 3.33Å; S391-C393 PolarHBondContact O-N 3.28Å; C393-L395 PolarHBondContact O-N 2.6Å; C393-I396 VanDerWaalsContact O-CB 3.29Å; C393-I396 WeakPolarHBondContact O-CB 3.24Å; C393-I396 PolarHBondContact O-N 3.1Å; C393-F492 HydrophobicContact CB-CD2 4.39Å; C393-F492 WeakPolarHBondContact O-CD2 3.18Å; C393-F492 WeakPolarHBondContact O-CE2 3.44Å; C393-M495 HydrophobicContact CB-CB 3.53Å
394L91.9Very high89.4Confident5 Ų539.7 Ų39.73%0.02623%0.225CC..G310 helixtrans-68.6-16.2178.9-59.8167.9000113.4Y324 L335 S391 S392 G575 F578Y324-L394 HydrophobicContact CE1-CD1 4.31Å; Y324-L394 WeakPolarHBondContact OH-CD1 3.46Å; L335-L394 HydrophobicContact CD1-CD2 4.36Å; S391-L394 WeakPolarHBondContact O-CB 3.44Å; S391-L394 WeakPolarHBondContact O-CG 3.47Å; S391-L394 PolarHBondContact O-N 3.34Å; S392-L394 PolarHBondContact O-N 3.09Å; L394-G575 VanDerWaalsContact O-CA 3.29Å; L394-G575 WeakPolarHBondContact O-CA 3.27Å; L394-F578 HydrophobicContact CD1-CB 3.97Å
395L92.6Very high88.5Confident36 Ų3642 Ų4219%0.18825%0.249CC..G310 helixtrans-83.2-19.7174.1-54.6-179.8000111.9S392 C393 R397 W576 F579S392-L395 WeakPolarHBondContact O-CB 3.39Å; S392-L395 PolarHBondContact O-N 3.3Å; C393-L395 PolarHBondContact O-N 2.6Å; L395-R397 PolarHBondContact O-N 3.01Å; L395-R397 PolarHBondContact O-NH1 3.19Å; L395-W576 HydrophobicContact CD1-CE3 4.27Å; L395-W576 HydrophobicContact CD1-CH2 3.84Å; L395-W576 HydrophobicContact CD1-CZ2 4.29Å; L395-W576 HydrophobicContact CD1-CZ3 3.82Å; L395-W576 HydrophobicContact CD2-CD2 3.57Å; L395-W576 HydrophobicContact CD2-CE3 3.6Å; L395-W576 HydrophobicContact CD2-CG 4Å; L395-W576 HydrophobicContact CD2-CH2 4.41Å; L395-W576 HydrophobicContact CD2-CZ2 4.38Å; L395-W576 HydrophobicContact CD2-CZ3 4.04Å; L395-F579 HydrophobicContact CD1-CD1 3.97Å; L395-F579 HydrophobicContact CD1-CD2 4.45Å; L395-F579 HydrophobicContact CD1-CE1 3.99Å; L395-F579 HydrophobicContact CD1-CE2 4.48Å; L395-F579 HydrophobicContact CD1-CG 4.17Å; L395-F579 HydrophobicContact CD1-CZ 4.22Å; L395-F579 HydrophobicContact CD2-CB 3.77Å; L395-F579 HydrophobicContact CD2-CD1 4.1Å; L395-F579 HydrophobicContact CD2-CG 3.98Å; L395-F579 HydrophobicContact CG-CB 4.28Å; L395-F579 HydrophobicContact CG-CD1 4.32Å; L395-F579 HydrophobicContact CG-CD2 4.41Å; L395-F579 HydrophobicContact CG-CG 4.09Å
396I91.3Very high87.9Confident30 Ų3038 Ų3815%0.15423%0.229CC..  trans-74.3118.1175.3-55.3175.8000107.6C393 Q488 Q491 F492 M495C393-I396 VanDerWaalsContact O-CB 3.29Å; C393-I396 WeakPolarHBondContact O-CB 3.24Å; C393-I396 PolarHBondContact O-N 3.1Å; I396-Q488 HydrophobicContact CG2-CB 3.83Å; I396-Q488 HydrophobicContact CG2-CG 4.46Å; I396-Q488 WeakPolarHBondContact CG2-O 3.25Å; I396-Q491 HydrophobicContact CD1-CB 3.94Å; I396-F492 HydrophobicContact CB-CB 4.41Å; I396-F492 HydrophobicContact CB-CD2 4.41Å; I396-F492 HydrophobicContact CG2-CB 4.19Å; I396-M495 HydrophobicContact CD1-SD 3.71Å
397R87Confident87.2Confident88 Ų8836 Ų3633%0.33222%0.221SC..  trans-138.1157-178.359.8-176179.8-85.54.9110L335 L395 S572L335-R397 WeakPolarHBondContact O-CA 3.36Å; L395-R397 PolarHBondContact O-N 3.01Å; L395-R397 PolarHBondContact O-NH1 3.19Å; R397-S572 PolarHBondContact NH2-OG 2.85Å
398C84.9Confident86.5Confident16 Ų1636.6 Ų36.611%0.10822%0.224CC..PPolyproline II helixtrans-66.3157.4163.6-58.40000110.2L335 L336 S400 C485L335-C398 PolarHBondContact O-N 2.84Å; L336-C398 VanDerWaalsContact C-SG 3.6Å; L336-C398 VanDerWaalsContact CA-SG 3.57Å; L336-C398 PolarHBondContact O-SG 3.36Å; C398-S400 PolarHBondContact O-N 2.89Å; C398-C485 WeakPolarHBondContact CA-SG 3.19Å; C398-C485 HydrophobicContact CB-CB 3.75Å; C398-C485 WeakPolarHBondContact CB-SG 3.25Å; C398-C485 WeakPolarHBondContact SG-CB 3.04Å; C398-C485 CovalentContact SG-SG 2.01Å; C398-C485 PolarHBondContact SG-SG 2.91Å
399E77.7Confident85.7Confident137 Ų13739 Ų3964%0.6424%0.238SC*.PPolyproline II helixtrans-55.1131.6171.5-168.5169.1-174.700109.4L401E399-L401 PolarHBondContact O-N 2.81Å
400S71Confident84.6Confident70 Ų7039.5 Ų39.549%0.4923%0.234SC..PPolyproline II helixtrans-66.1127.5-176.8490000109.6C398 N402C398-S400 PolarHBondContact O-N 2.89Å; S400-N402 PolarHBondContact O-N 2.88Å
401L78.1Confident83.4Confident43 Ų4343 Ų4323%0.22526%0.259CS..PPolyproline II helixtrans-56.6128.4172.3-75.4148.7000110E399 V403 N407 Y480 C481 F568E399-L401 PolarHBondContact O-N 2.81Å; L401-V403 HydrophobicContact CB-CG2 4.38Å; L401-V403 PolarHBondContact O-N 3.3Å; L401-N407 PolarHBondContact O-ND2 3.06Å; L401-Y480 HydrophobicContact CD1-CD1 3.83Å; L401-Y480 HydrophobicContact CD1-CE1 4.4Å; L401-Y480 HydrophobicContact CD1-CG 3.94Å; L401-Y480 HydrophobicContact CD2-CD1 4.41Å; L401-Y480 HydrophobicContact CD2-CG 4.46Å; L401-C481 HydrophobicContact CD2-CB 4.28Å; L401-C481 VanDerWaalsContact CD2-O 3.29Å; L401-C481 WeakPolarHBondContact CD2-O 3.17Å; L401-F568 HydrophobicContact CB-CE2 4.44Å
402N83.7Confident82.5Confident44 Ų4445 Ų4524%0.23527%0.27CS..  trans-80.5112173.2-67.1-36.4000108.6S400 V408 L442 T443S400-N402 PolarHBondContact O-N 2.88Å; N402-V408 HydrophobicContact CB-CG2 3.77Å; N402-L442 HydrophobicContact CB-CD1 3.93Å; N402-T443 WeakPolarHBondContact O-CB 3.13Å; N402-T443 PolarHBondContact O-N 2.87Å
403V84.1Confident81.5Confident4 Ų443.6 Ų43.62%0.02426%0.259CS..BIsolated β-bridgetrans-112.1118.7-177.3-1750000109.6L401 G405 V406 N407 T443 L445 F568L401-V403 HydrophobicContact CB-CG2 4.38Å; L401-V403 PolarHBondContact O-N 3.3Å; V403-G405 PolarHBondContact O-N 3.4Å; V403-V406 HydrophobicContact CB-CB 4.14Å; V403-V406 HydrophobicContact CB-CG2 4.47Å; V403-V406 HydrophobicContact CG1-CB 4.02Å; V403-V406 HydrophobicContact CG1-CG2 3.8Å; V403-V406 PolarHBondContact O-N 3.43Å; V403-N407 WeakPolarHBondContact CA-OD1 3.36Å; V403-N407 PolarHBondContact N-OD1 2.98Å; V403-N407 PolarHBondContact O-N 3.47Å; V403-N407 PolarHBondContact O-OD1 2.97Å; V403-T443 CarbonylContact C-O 3.45Å; V403-T443 VanDerWaalsContact CA-O 3.25Å; V403-T443 WeakPolarHBondContact CA-O 3.19Å; V403-L445 HydrophobicContact CG1-CD2 3.91Å; V403-L445 HydrophobicContact CG1-CG 4.19Å; V403-F568 HydrophobicContact CG2-CD2 4.4Å; V403-F568 HydrophobicContact CG2-CE1 4.12Å; V403-F568 HydrophobicContact CG2-CE2 3.9Å; V403-F568 HydrophobicContact CG2-CZ 3.74Å
404Y82.1Confident80.5Confident19 Ų1948.1 Ų48.18%0.07529%0.289CS..BIsolated β-bridgetrans-56.6132176.2-180-88.5000111.1V406 L413 A418 L419 E420 L442 T443 F444Y404-V406 PolarHBondContact O-N 2.87Å; Y404-L413 HydrophobicContact CD2-CD2 3.28Å; Y404-L413 HydrophobicContact CE2-CD1 3.99Å; Y404-L413 HydrophobicContact CE2-CD2 3.38Å; Y404-L413 HydrophobicContact CE2-CG 4.36Å; Y404-L413 HydrophobicContact CG-CD2 4.47Å; Y404-A418 HydrophobicContact CD2-CB 4.45Å; Y404-A418 HydrophobicContact CE2-CB 4.46Å; Y404-L419 PolarHBondContact OH-O 2.99Å; Y404-E420 PolarHBondContact OH-O 3.47Å; Y404-E420 VanDerWaalsContact OH-O 3.07Å; Y404-L442 HydrophobicContact CD2-CD2 4.06Å; Y404-T443 PolarHBondContact N-O 3.46Å; Y404-F444 HydrophobicContact CD1-CD1 4.01Å; Y404-F444 HydrophobicContact CD1-CE1 4.26Å; Y404-F444 HydrophobicContact CD2-CD1 4.3Å; Y404-F444 AromaticContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CE2-CE1 4.47Å; Y404-F444 AromaticContact CG-CD1 3.7Å; Y404-F444 HydrophobicContact CG-CD1 3.7Å; Y404-F444 AromaticContact CG-CE1 3.68Å; Y404-F444 HydrophobicContact CG-CE1 3.68Å
405G77.6Confident79.3Confident65 Ų6557.5 Ų57.567%0.6732%0.324SS*.THydrogen-bonded Turntrans74.84.4178.500000115.4V403V403-G405 PolarHBondContact O-N 3.4Å
406V82.4Confident78.1Confident31 Ų3159.3 Ų59.319%0.18833%0.329CS..THydrogen-bonded Turntrans-123.8-59-178.7-177.20000112.5V403 Y404 L445 M555 Y556 F568V403-V406 HydrophobicContact CB-CB 4.14Å; V403-V406 HydrophobicContact CB-CG2 4.47Å; V403-V406 HydrophobicContact CG1-CB 4.02Å; V403-V406 HydrophobicContact CG1-CG2 3.8Å; V403-V406 PolarHBondContact O-N 3.43Å; Y404-V406 PolarHBondContact O-N 2.87Å; V406-L445 HydrophobicContact CG2-CD1 4.01Å; V406-L445 HydrophobicContact CG2-CD2 4.03Å; V406-L445 HydrophobicContact CG2-CG 4.27Å; V406-M555 HydrophobicContact CG1-CB 3.71Å; V406-M555 HydrophobicContact CG1-CE 4.15Å; V406-Y556 HydrophobicContact CG2-CD2 4.24Å; V406-Y556 HydrophobicContact CG2-CG 4.48Å; V406-F568 HydrophobicContact CG1-CD1 3.83Å; V406-F568 HydrophobicContact CG1-CE1 4.31Å
407N81.6Confident76.7Confident43 Ų4359.5 Ų59.523%0.2334%0.338CS..THydrogen-bonded Turntrans-121.8-6.7-175.971-19.5000114.2L401 V403 M555L401-N407 PolarHBondContact O-ND2 3.06Å; V403-N407 WeakPolarHBondContact CA-OD1 3.36Å; V403-N407 PolarHBondContact N-OD1 2.98Å; V403-N407 PolarHBondContact O-N 3.47Å; V403-N407 PolarHBondContact O-OD1 2.97Å; N407-M555 HydrophobicContact CB-CE 3.57Å; N407-M555 HydrophobicContact CB-SD 4.42Å
408V81.4Confident75.7Confident14 Ų1455.5 Ų55.59%0.08532%0.324CS..BIsolated β-bridgetrans-97.8115.9172.9-176.90000108.7N402 D412 L413 Y416 L442N402-V408 HydrophobicContact CB-CG2 3.77Å; V408-D412 HydrophobicContact CG1-CB 4.22Å; V408-L413 HydrophobicContact CG1-CD2 4.3Å; V408-Y416 HydrophobicContact CG1-CD2 4.08Å; V408-Y416 HydrophobicContact CG1-CE2 4.04Å; V408-L442 HydrophobicContact CG2-CD1 3.85Å
409P78.8Confident74.8Confident68 Ų6859 Ų5944%0.44234%0.341SS..  trans-69.6152176.229.2-33.3000110.9S411 D412P409-S411 PolarHBondContact O-N 3.07Å; P409-S411 VanDerWaalsContact O-N 3.08Å; P409-D412 HydrophobicContact CG-CB 4.31Å; P409-D412 WeakPolarHBondContact CG-OD2 3.33Å; P409-D412 PolarHBondContact O-N 3.21Å
410S72.4Confident74.1Confident56 Ų5657.6 Ų57.639%0.39233%0.334SS..G310 helixtrans-53.5-34.9-176.5-650000114.7D412 L413 E420S410-D412 PolarHBondContact O-N 3.43Å; S410-L413 WeakPolarHBondContact O-CB 3.47Å; S410-L413 PolarHBondContact O-N 3.01Å; S410-E420 VanDerWaalsContact CB-CD 3.45Å; S410-E420 WeakPolarHBondContact CB-OE1 3.4Å; S410-E420 PolarHBondContact OG-OE1 2.85Å
411S71.6Confident74Confident96 Ų9657.9 Ų57.967%0.67133%0.333SS*.G310 helixtrans-63-26.9179.152.40000114.2P409P409-S411 PolarHBondContact O-N 3.07Å; P409-S411 VanDerWaalsContact O-N 3.08Å
412D75.2Confident73.9Confident43 Ų4357 Ų5723%0.2333%0.331CS..G310 helixtrans-95.5-10.8-178.5-75.2-48.7000112.8V408 P409 S410 P414 R415 Y416V408-D412 HydrophobicContact CG1-CB 4.22Å; P409-D412 HydrophobicContact CG-CB 4.31Å; P409-D412 WeakPolarHBondContact CG-OD2 3.33Å; P409-D412 PolarHBondContact O-N 3.21Å; S410-D412 PolarHBondContact O-N 3.43Å; D412-P414 VanDerWaalsContact C-CD 3.41Å; D412-P414 VanDerWaalsContact C-N 3.34Å; D412-R415 VanDerWaalsContact O-CB 3.29Å; D412-R415 WeakPolarHBondContact O-CB 3.27Å; D412-R415 PolarHBondContact O-N 2.92Å; D412-R415 WeakPolarHBondContact OD1-CD 3.15Å; D412-R415 IonicContact OD1-CZ 2.73Å; D412-R415 IonicContact OD1-NE 2.6Å; D412-R415 IonicContact OD1-NH1 3.75Å; D412-R415 PolarHBondContact OD1-NH1 3.29Å; D412-Y416 HydrophobicContact CB-CE2 4.34Å; D412-Y416 VanDerWaalsContact O-CD2 3.25Å; D412-Y416 WeakPolarHBondContact O-CD2 3.37Å
413L74.3Confident73.5Confident7 Ų755.9 Ų55.94%0.03733%0.326CS..G310 helixtrans-52.7-41.3176.9-72.3167.5000114.2Y404 V408 S410 R415 Y416 G417 A418 E420Y404-L413 HydrophobicContact CD2-CD2 3.28Å; Y404-L413 HydrophobicContact CE2-CD1 3.99Å; Y404-L413 HydrophobicContact CE2-CD2 3.38Å; Y404-L413 HydrophobicContact CE2-CG 4.36Å; Y404-L413 HydrophobicContact CG-CD2 4.47Å; V408-L413 HydrophobicContact CG1-CD2 4.3Å; S410-L413 WeakPolarHBondContact O-CB 3.47Å; S410-L413 PolarHBondContact O-N 3.01Å; L413-R415 PolarHBondContact O-N 3.46Å; L413-Y416 CarbonylContact O-C 3.57Å; L413-Y416 PolarHBondContact O-N 3.28Å; L413-G417 PolarHBondContact O-N 2.81Å; L413-A418 CarbonylContact C-O 3.55Å; L413-A418 HydrophobicContact CD2-CB 4.04Å; L413-A418 PolarHBondContact O-N 3.43Å; L413-A418 VanDerWaalsContact O-N 3.17Å; L413-E420 HydrophobicContact CD1-CB 4.19Å; L413-E420 HydrophobicContact CD1-CG 4.13Å
414P71.3Confident73Confident96 Ų9662 Ų6262%0.62335%0.354SS*.G310 helixtrans-61.5-28.7176.9-23.634.7000113.5D412 Y416 G417D412-P414 VanDerWaalsContact C-CD 3.41Å; D412-P414 VanDerWaalsContact C-N 3.34Å; P414-Y416 PolarHBondContact O-N 3.28Å; P414-G417 PolarHBondContact O-N 2.82Å; P414-G417 VanDerWaalsContact O-N 3.16Å
415R66.3Low72.7Confident201 Ų20166.9 Ų66.976%0.75838%0.382SS*.G310 helixtrans-67.4-28.5176.8-65.5178.8167.4169.1-8.7112.2D412 L413D412-R415 VanDerWaalsContact O-CB 3.29Å; D412-R415 WeakPolarHBondContact O-CB 3.27Å; D412-R415 PolarHBondContact O-N 2.92Å; D412-R415 WeakPolarHBondContact OD1-CD 3.15Å; D412-R415 IonicContact OD1-CZ 2.73Å; D412-R415 IonicContact OD1-NE 2.6Å; D412-R415 IonicContact OD1-NH1 3.75Å; D412-R415 PolarHBondContact OD1-NH1 3.29Å; L413-R415 PolarHBondContact O-N 3.46Å
416Y66.4Low72.7Confident74 Ų7464.3 Ų64.329%0.2935%0.354SS..G310 helixtrans-95.611.4176.7-60.3-76.3000112.2V408 D412 L413 P414 A418 S440 L442V408-Y416 HydrophobicContact CG1-CD2 4.08Å; V408-Y416 HydrophobicContact CG1-CE2 4.04Å; D412-Y416 HydrophobicContact CB-CE2 4.34Å; D412-Y416 VanDerWaalsContact O-CD2 3.25Å; D412-Y416 WeakPolarHBondContact O-CD2 3.37Å; L413-Y416 CarbonylContact O-C 3.57Å; L413-Y416 PolarHBondContact O-N 3.28Å; P414-Y416 PolarHBondContact O-N 3.28Å; Y416-A418 PolarHBondContact O-N 3.3Å; Y416-A418 VanDerWaalsContact O-N 3.11Å; Y416-S440 WeakPolarHBondContact CD1-O 3.42Å; Y416-S440 WeakPolarHBondContact O-CB 3.29Å; Y416-L442 HydrophobicContact CG-CD1 4.39Å
417G62.7Low72.4Confident34 Ų3467.3 Ų67.335%0.35137%0.365SS..THydrogen-bonded Turntrans64.515.2179.200000114.7L413 P414L413-G417 PolarHBondContact O-N 2.81Å; P414-G417 PolarHBondContact O-N 2.82Å; P414-G417 VanDerWaalsContact O-N 3.16Å
418A66.8Low72.1Confident4 Ų466.9 Ų66.93%0.03337%0.365CS..  trans-95.6144.6177.800000110.9Y404 L413 Y416 L442 C470Y404-A418 HydrophobicContact CD2-CB 4.45Å; Y404-A418 HydrophobicContact CE2-CB 4.46Å; L413-A418 CarbonylContact C-O 3.55Å; L413-A418 HydrophobicContact CD2-CB 4.04Å; L413-A418 PolarHBondContact O-N 3.43Å; L413-A418 VanDerWaalsContact O-N 3.17Å; Y416-A418 PolarHBondContact O-N 3.3Å; Y416-A418 VanDerWaalsContact O-N 3.11Å; A418-L442 HydrophobicContact CB-CD2 3.84Å; A418-C470 WeakPolarHBondContact CA-O 3.47Å
419L65.8Low71.6Confident89 Ų8968.1 Ų68.147%0.46637%0.371SS..  trans-94.6145.4173.6-106.373.9000110.6Y404 C422Y404-L419 PolarHBondContact OH-O 2.99Å; L419-C422 HydrophobicContact CB-CB 4.06Å; L419-C422 PolarHBondContact O-SG 3.31Å
420E62.9Low71.2Confident109 Ų10967.1 Ų67.151%0.50937%0.366SS..THydrogen-bonded Turntrans-70.9-34179.9-164.4171.2-175.500112.3Y404 S410 L413Y404-E420 PolarHBondContact OH-O 3.47Å; Y404-E420 VanDerWaalsContact OH-O 3.07Å; S410-E420 VanDerWaalsContact CB-CD 3.45Å; S410-E420 WeakPolarHBondContact CB-OE1 3.4Å; S410-E420 PolarHBondContact OG-OE1 2.85Å; L413-E420 HydrophobicContact CD1-CB 4.19Å; L413-E420 HydrophobicContact CD1-CG 4.13Å
421T69.1Low71.2Confident76 Ų7666 Ų6647%0.46635%0.354SS..THydrogen-bonded Turntrans-100.410.8-173.756.50000114.4S423 E424T421-S423 VanDerWaalsContact C-N 3.28Å; T421-S423 PolarHBondContact O-N 3.03Å; T421-E424 WeakPolarHBondContact CB-OE2 3.44Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.4Å
422C74.5Confident71.5Confident25 Ų2562.1 Ų62.117%0.16933%0.325CS..SBendtrans-69.8-22-171.359.70000114.5L419 C470L419-C422 HydrophobicContact CB-CB 4.06Å; L419-C422 PolarHBondContact O-SG 3.31Å; C422-C470 HydrophobicContact CB-CB 3.84Å; C422-C470 WeakPolarHBondContact CB-SG 3.23Å; C422-C470 WeakPolarHBondContact SG-CA 3.48Å; C422-C470 WeakPolarHBondContact SG-CB 3.47Å; C422-C470 CovalentContact SG-SG 2.01Å; C422-C470 PolarHBondContact SG-SG 2.75Å
423S76.4Confident71.7Confident20 Ų2060.6 Ų60.614%0.1432%0.317CS..SBendtrans-114.3-1.7-178.1610000113.9T421 N425 C426T421-S423 VanDerWaalsContact C-N 3.28Å; T421-S423 PolarHBondContact O-N 3.03Å; S423-N425 PolarHBondContact O-N 3.06Å; S423-C426 VanDerWaalsContact O-CB 3.25Å; S423-C426 WeakPolarHBondContact O-CB 3.4Å; S423-C426 PolarHBondContact O-N 3.02Å
424E73.4Confident72.2Confident131 Ų13160.3 Ų60.361%0.61232%0.316SS*.THydrogen-bonded Turntrans-62.5-30.3-176.5-72.8-177.2157.900113.3T421 C426T421-E424 WeakPolarHBondContact CB-OE2 3.44Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.4Å; E424-C426 VanDerWaalsContact C-N 3.26Å; E424-C426 PolarHBondContact O-N 3.09Å
425N76.6Confident72.9Confident122 Ų12255.8 Ų55.865%0.65229%0.286SS*.THydrogen-bonded Turntrans-84.3-0.2177.6-64.7-41.3000113.2T132 S423T132-N425 HydrophobicContact CG2-CB 4.39Å; S423-N425 PolarHBondContact O-N 3.06Å
426C76.3Confident73.9Confident12 Ų1246.8 Ų46.88%0.08125%0.254CS..SBendtrans-100.1122.5-179.8-49.10000109.2C130 S423 E424 C428C130-C426 HydrophobicContact CB-CB 3.77Å; C130-C426 WeakPolarHBondContact CB-SG 3.05Å; C130-C426 WeakPolarHBondContact SG-CB 3.38Å; C130-C426 CovalentContact SG-SG 2.02Å; C130-C426 PolarHBondContact SG-SG 3.26Å; S423-C426 VanDerWaalsContact O-CB 3.25Å; S423-C426 WeakPolarHBondContact O-CB 3.4Å; S423-C426 PolarHBondContact O-N 3.02Å; E424-C426 VanDerWaalsContact C-N 3.26Å; E424-C426 PolarHBondContact O-N 3.09Å; C426-C428 WeakPolarHBondContact CB-SG 3.26Å; C426-C428 PolarHBondContact O-N 3.36Å
427H77.1Confident74.9Confident93 Ų9343.3 Ų43.343%0.43124%0.241SC..  trans-82.372.1173.7-64.6-2.7000110.1G134 D136G134-H427 PolarHBondContact O-CD2 2.94Å; D136-H427 IonicContact OD1-CD2 3.49Å; D136-H427 PolarHBondContact OD1-CD2 3.13Å; D136-H427 VanDerWaalsContact OD1-CD2 3.28Å; D136-H427 IonicContact OD1-CG 3.73Å; D136-H427 IonicContact OD1-NE2 3.63Å
428C75.8Confident75.7Confident34 Ų3446 Ų4623%0.2324%0.244CC..  trans-75.1132.5-175.8-59.10000112C426 C448C426-C428 WeakPolarHBondContact CB-SG 3.26Å; C426-C428 PolarHBondContact O-N 3.36Å; C428-C448 WeakPolarHBondContact CA-SG 3.31Å; C428-C448 HydrophobicContact CB-CB 3.83Å; C428-C448 WeakPolarHBondContact CB-SG 3.49Å; C428-C448 WeakPolarHBondContact SG-CB 3.44Å; C428-C448 PolarHBondContact SG-O 3.33Å; C428-C448 VanDerWaalsContact SG-O 3.36Å; C428-C448 CovalentContact SG-SG 2.04Å; C428-C448 PolarHBondContact SG-SG 3.06Å
429D71Confident76.1Confident40 Ų4052.1 Ų52.121%0.21428%0.276CS..  trans-74.7159.4173.2-152.9-25.7000110.2K137 F431K137-D429 IonicContact NZ-OD2 3.44Å; K137-D429 PolarHBondContact NZ-OD2 2.97Å; D429-F431 HydrophobicContact CB-CD2 3.69Å; D429-F431 HydrophobicContact CB-CE2 4.3Å; D429-F431 PolarHBondContact O-N 3.09Å; D429-F431 WeakPolarHBondContact OD2-CD2 3.35Å; D429-F431 WeakPolarHBondContact OD2-CE2 3.4Å
430S69.2Low76.5Confident48 Ų4848.9 Ų48.934%0.33626%0.261SS..SBendtrans-73.410.2-179.5-66.30000113.6Y556 Q558S430-Y556 PolarHBondContact O-OH 3.38Å; S430-Q558 WeakPolarHBondContact O-CG 3.48Å
431F72.2Confident77.4Confident31 Ų3150.8 Ų50.814%0.13627%0.268CS..  trans-66.9136.3-178.4-76.5-67.9000112.3D429D429-F431 HydrophobicContact CB-CD2 3.69Å; D429-F431 HydrophobicContact CB-CE2 4.3Å; D429-F431 PolarHBondContact O-N 3.09Å; D429-F431 WeakPolarHBondContact OD2-CD2 3.35Å; D429-F431 WeakPolarHBondContact OD2-CE2 3.4Å
432F77.4Confident78.1Confident15 Ų1547.1 Ų47.17%0.06625%0.245CC..  trans-95.8107.1-178.4-169.9-102.4000110.9P234 R235 P434 L445 Y480 Y556 Q567P234-F432 HydrophobicContact CB-CE1 4.3Å; P234-F432 HydrophobicContact CG-CE1 4.43Å; R235-F432 WeakPolarHBondContact CD-O 3.37Å; F432-P434 HydrophobicContact CD1-CG 4.37Å; F432-P434 HydrophobicContact CE1-CB 4.41Å; F432-P434 HydrophobicContact CE1-CG 3.74Å; F432-P434 HydrophobicContact CZ-CB 4.21Å; F432-P434 HydrophobicContact CZ-CG 4.03Å; F432-L445 HydrophobicContact CD2-CD2 3.95Å; F432-L445 HydrophobicContact CE2-CD2 3.76Å; F432-Y480 WeakPolarHBondContact CE1-OH 3.27Å; F432-Y480 HydrophobicContact CZ-CE1 4.09Å; F432-Y480 VanDerWaalsContact CZ-OH 3.29Å; F432-Y480 WeakPolarHBondContact CZ-OH 3.36Å; F432-Y556 HydrophobicContact CD2-CE1 4.46Å; F432-Q567 HydrophobicContact CB-CB 4.46Å; F432-Q567 HydrophobicContact CB-CG 3.96Å; F432-Q567 HydrophobicContact CD1-CB 4.2Å; F432-Q567 HydrophobicContact CD1-CG 4.29Å; F432-Q567 HydrophobicContact CD2-CB 3.9Å; F432-Q567 HydrophobicContact CD2-CG 4.32Å; F432-Q567 HydrophobicContact CE1-CB 4.42Å; F432-Q567 HydrophobicContact CE2-CB 4.14Å; F432-Q567 HydrophobicContact CG-CB 3.93Å; F432-Q567 HydrophobicContact CG-CG 3.94Å; F432-Q567 HydrophobicContact CZ-CB 4.39Å
433N80.4Confident78.7Confident12 Ų1246 Ų466%0.06424%0.238CC..  trans-13877.4176.4176.97.6000109.2D128 R235 V435 L445 S446D128-N433 VanDerWaalsContact OD2-CB 3.28Å; D128-N433 WeakPolarHBondContact OD2-CB 3.32Å; D128-N433 PolarHBondContact OD2-ND2 3.19Å; R235-N433 VanDerWaalsContact CZ-CG 3.48Å; R235-N433 PolarHBondContact NH1-ND2 3.24Å; R235-N433 PolarHBondContact NH1-OD1 3.38Å; R235-N433 PolarHBondContact NH2-OD1 3.42Å; N433-V435 PolarHBondContact O-N 3.31Å; N433-L445 CarbonylContact C-O 3.59Å; N433-L445 PolarHBondContact N-O 3.4Å; N433-S446 VanDerWaalsContact O-CA 3.27Å; N433-S446 WeakPolarHBondContact O-CA 3.29Å
434P84.3Confident79.2Confident1 Ų145.1 Ų45.11%0.00623%0.232CC..  trans-64.6138.6-167.424.2-32.2000111.9P234 F432 T443 F444 G479 Y480P234-P434 HydrophobicContact CG-CG 3.46Å; P234-P434 VanDerWaalsContact CG-CG 3.46Å; F432-P434 HydrophobicContact CD1-CG 4.37Å; F432-P434 HydrophobicContact CE1-CB 4.41Å; F432-P434 HydrophobicContact CE1-CG 3.74Å; F432-P434 HydrophobicContact CZ-CB 4.21Å; F432-P434 HydrophobicContact CZ-CG 4.03Å; P434-T443 HydrophobicContact CB-CG2 4.09Å; P434-F444 VanDerWaalsContact CA-O 3.28Å; P434-F444 WeakPolarHBondContact CA-O 3.27Å; P434-G479 WeakPolarHBondContact O-CA 3.49Å; P434-G479 PolarHBondContact O-N 2.85Å; P434-Y480 HydrophobicContact CB-CD1 4.1Å; P434-Y480 HydrophobicContact CB-CE1 3.89Å; P434-Y480 HydrophobicContact CG-CD1 4.44Å; P434-Y480 HydrophobicContact CG-CE1 4.02Å
435V85.8Confident79.6Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-132.2144.3176.1-61.90000110.6N433 T443 F444 P447 A450 W465 V476 K477 G479N433-V435 PolarHBondContact O-N 3.31Å; V435-T443 CarbonylContact O-C 3.16Å; V435-T443 VanDerWaalsContact O-CA 3.29Å; V435-T443 WeakPolarHBondContact O-CA 3.21Å; V435-F444 HydrophobicContact CG2-CB 3.82Å; V435-F444 HydrophobicContact CG2-CD2 4.38Å; V435-F444 PolarHBondContact N-O 2.67Å; V435-F444 VanDerWaalsContact N-O 3.09Å; V435-F444 PolarHBondContact O-N 2.74Å; V435-P447 HydrophobicContact CG1-CG 3.93Å; V435-A450 HydrophobicContact CG2-CB 4.16Å; V435-W465 HydrophobicContact CG1-CE3 4.06Å; V435-W465 HydrophobicContact CG1-CH2 4.18Å; V435-W465 HydrophobicContact CG1-CZ3 3.61Å; V435-V476 HydrophobicContact CB-CG1 3.53Å; V435-V476 HydrophobicContact CG1-CG1 4.42Å; V435-V476 HydrophobicContact CG2-CG1 3.47Å; V435-V476 VanDerWaalsContact CG2-CG1 3.47Å; V435-K477 CarbonylContact C-O 3.55Å; V435-K477 VanDerWaalsContact CA-O 3.29Å; V435-K477 WeakPolarHBondContact CA-O 3.45Å; V435-K477 WeakPolarHBondContact CB-O 3.05Å; V435-G479 CarbonylContact C-O 3.48Å; V435-G479 WeakPolarHBondContact CA-O 3.41Å
436C87.7Confident79.9Confident13 Ų1333.5 Ų33.59%0.08817%0.174CC..EExtended strand (participates in β ladder)trans-110.9133.5-178.4177.50000111.2V476 K477 G479 C481C436-V476 CarbonylContact O-C 3.48Å; C436-V476 WeakPolarHBondContact O-CA 3.38Å; C436-K477 PolarHBondContact N-O 3.02Å; C436-K477 PolarHBondContact O-N 3.48Å; C436-G479 PolarHBondContact N-O 3.08Å; C436-C481 HydrophobicContact CB-CB 4.02Å; C436-C481 WeakPolarHBondContact CB-SG 3.49Å; C436-C481 WeakPolarHBondContact SG-CA 3.2Å; C436-C481 WeakPolarHBondContact SG-CB 3.06Å; C436-C481 CovalentContact SG-SG 2.03Å; C436-C481 PolarHBondContact SG-SG 3.14Å
437S86.9Confident80.2Confident1 Ų133 Ų331%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-89.1120.4168172.80000109.9D439 S440 K441 L442 S471S437-D439 PolarHBondContact O-N 2.99Å; S437-S440 WeakPolarHBondContact CB-OG 3.28Å; S437-S440 PolarHBondContact OG-OG 2.87Å; S437-K441 WeakPolarHBondContact O-CA 3.43Å; S437-K441 PolarHBondContact O-N 3.37Å; S437-L442 PolarHBondContact N-O 3.22Å; S437-S471 PolarHBondContact OG-OG 3.11Å
438E79.9Confident80.5Confident90 Ų9028.6 Ų28.642%0.42115%0.15SC..THydrogen-bonded Turntrans-60.6-44.3-171.9-70.6-160.412000113.6K477E438-K477 HydrophobicContact CG-CD 4Å; E438-K477 HydrophobicContact CG-CG 4.18Å; E438-K477 WeakPolarHBondContact OE1-CD 3.41Å; E438-K477 WeakPolarHBondContact OE1-CE 3.35Å; E438-K477 IonicContact OE1-NZ 2.89Å; E438-K477 PolarHBondContact OE1-NZ 3.45Å; E438-K477 IonicContact OE2-NZ 2.65Å
439D75Confident80.8Confident132 Ų13228.7 Ų28.771%0.70615%0.147SC*.THydrogen-bonded Turntrans-76.3-41-174.1-76.7-2.5000112.3S437 T474S437-D439 PolarHBondContact O-N 2.99Å; D439-T474 HydrophobicContact CB-CG2 3.91Å; D439-T474 WeakPolarHBondContact OD2-CG2 3.09Å
440S74.6Confident81.4Confident22 Ų2226.8 Ų26.815%0.15414%0.137CC..THydrogen-bonded Turntrans-86.7-12.3-177.859.70000113.9Y416 S437 L442Y416-S440 WeakPolarHBondContact CD1-O 3.42Å; Y416-S440 WeakPolarHBondContact O-CB 3.29Å; S437-S440 WeakPolarHBondContact CB-OG 3.28Å; S437-S440 PolarHBondContact OG-OG 2.87Å; S440-L442 PolarHBondContact O-N 2.66Å
441K82Confident82.1Confident148 Ų14824.9 Ų24.964%0.64313%0.125SC*.THydrogen-bonded Turntrans49.128.1-170.8-59.7-173.8178.1-175.40113.1S437 C481S437-K441 WeakPolarHBondContact O-CA 3.43Å; S437-K441 PolarHBondContact O-N 3.37Å; K441-C481 PolarHBondContact O-SG 3.1Å
442L84.6Confident82.6Confident0 Ų023.4 Ų23.40%012%0.118CC..EExtended strand (participates in β ladder)trans-95.5128.5179-165.870.5000108.9N402 Y404 V408 Y416 A418 S437 S440 F444N402-L442 HydrophobicContact CB-CD1 3.93Å; Y404-L442 HydrophobicContact CD2-CD2 4.06Å; V408-L442 HydrophobicContact CG2-CD1 3.85Å; Y416-L442 HydrophobicContact CG-CD1 4.39Å; A418-L442 HydrophobicContact CB-CD2 3.84Å; S437-L442 PolarHBondContact N-O 3.22Å; S440-L442 PolarHBondContact O-N 2.66Å; L442-F444 HydrophobicContact CD2-CE1 4.12Å; L442-F444 HydrophobicContact CD2-CE2 4.44Å; L442-F444 HydrophobicContact CD2-CZ 3.84Å; L442-F444 HydrophobicContact CG-CZ 4.45Å
443T87.1Confident82.6Confident2 Ų224.6 Ų24.61%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-91.9136174.3-56.80000109.4N402 V403 Y404 P434 V435 Y480 C481N402-T443 WeakPolarHBondContact O-CB 3.13Å; N402-T443 PolarHBondContact O-N 2.87Å; V403-T443 CarbonylContact C-O 3.45Å; V403-T443 VanDerWaalsContact CA-O 3.25Å; V403-T443 WeakPolarHBondContact CA-O 3.19Å; Y404-T443 PolarHBondContact N-O 3.46Å; P434-T443 HydrophobicContact CB-CG2 4.09Å; V435-T443 CarbonylContact O-C 3.16Å; V435-T443 VanDerWaalsContact O-CA 3.29Å; V435-T443 WeakPolarHBondContact O-CA 3.21Å; T443-Y480 HydrophobicContact CG2-CD1 3.99Å; T443-C481 PolarHBondContact OG1-SG 3.35Å; T443-C481 VanDerWaalsContact OG1-SG 3.42Å
444F86.2Confident82.2Confident1 Ų129.9 Ų29.90%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-108.4151.3172.4-59.7-91.9000110Y404 P434 V435 L442 A450 C470Y404-F444 HydrophobicContact CD1-CD1 4.01Å; Y404-F444 HydrophobicContact CD1-CE1 4.26Å; Y404-F444 HydrophobicContact CD2-CD1 4.3Å; Y404-F444 AromaticContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CE2-CE1 4.47Å; Y404-F444 AromaticContact CG-CD1 3.7Å; Y404-F444 HydrophobicContact CG-CD1 3.7Å; Y404-F444 AromaticContact CG-CE1 3.68Å; Y404-F444 HydrophobicContact CG-CE1 3.68Å; P434-F444 VanDerWaalsContact CA-O 3.28Å; P434-F444 WeakPolarHBondContact CA-O 3.27Å; V435-F444 HydrophobicContact CG2-CB 3.82Å; V435-F444 HydrophobicContact CG2-CD2 4.38Å; V435-F444 PolarHBondContact N-O 2.67Å; V435-F444 VanDerWaalsContact N-O 3.09Å; V435-F444 PolarHBondContact O-N 2.74Å; L442-F444 HydrophobicContact CD2-CE1 4.12Å; L442-F444 HydrophobicContact CD2-CE2 4.44Å; L442-F444 HydrophobicContact CD2-CZ 3.84Å; L442-F444 HydrophobicContact CG-CZ 4.45Å; F444-A450 HydrophobicContact CB-CB 3.94Å; F444-A450 HydrophobicContact CD1-CB 4.06Å; F444-A450 HydrophobicContact CD2-CB 3.88Å; F444-A450 HydrophobicContact CE2-CB 4.39Å; F444-A450 HydrophobicContact CG-CB 3.69Å; F444-C470 HydrophobicContact CD1-CB 4.48Å; F444-C470 HydrophobicContact CE1-CB 3.6Å; F444-C470 HydrophobicContact CZ-CB 3.87Å
445L82.1Confident81.2Confident9 Ų932.3 Ų32.35%0.04717%0.171CC..SBendtrans-65.8-36.3-177.9-70.3171.6000113.4V403 V406 F432 N433 H449 Y556V403-L445 HydrophobicContact CG1-CD2 3.91Å; V403-L445 HydrophobicContact CG1-CG 4.19Å; V406-L445 HydrophobicContact CG2-CD1 4.01Å; V406-L445 HydrophobicContact CG2-CD2 4.03Å; V406-L445 HydrophobicContact CG2-CG 4.27Å; F432-L445 HydrophobicContact CD2-CD2 3.95Å; F432-L445 HydrophobicContact CE2-CD2 3.76Å; N433-L445 CarbonylContact C-O 3.59Å; N433-L445 PolarHBondContact N-O 3.4Å; L445-H449 HydrophobicContact CB-CB 4.41Å; L445-Y556 HydrophobicContact CD1-CD2 4.06Å; L445-Y556 HydrophobicContact CD1-CE2 3.68Å; L445-Y556 HydrophobicContact CD2-CD1 4.14Å; L445-Y556 HydrophobicContact CD2-CE1 4.25Å; L445-Y556 HydrophobicContact CD2-CG 4.27Å
446S82.4Confident79.6Confident0 Ų039 Ų390%021%0.214CC..SBendtrans-150.6165.4174.478.90000111.1N433 C448 H449 A450N433-S446 VanDerWaalsContact O-CA 3.27Å; N433-S446 WeakPolarHBondContact O-CA 3.29Å; S446-C448 PolarHBondContact O-N 2.98Å; S446-C448 PolarHBondContact OG-N 3.22Å; S446-H449 PolarHBondContact O-N 2.93Å; S446-H449 VanDerWaalsContact O-N 3.1Å; S446-H449 PolarHBondContact OG-N 2.65Å; S446-H449 PolarHBondContact OG-ND1 3.15Å; S446-A450 PolarHBondContact O-N 3.46Å; S446-A450 VanDerWaalsContact O-N 3.12Å
447P83Confident77.9Confident1 Ų141.7 Ų41.71%0.00624%0.244CC..THydrogen-bonded Turntrans-58.5-31.5172.6-17.328000112.5D128 V435 A450 G451 C452 W465D128-P447 CarbonylContact O-C 3.52Å; D128-P447 WeakPolarHBondContact O-CB 3.33Å; D128-P447 WeakPolarHBondContact O-CD 3.31Å; V435-P447 HydrophobicContact CG1-CG 3.93Å; P447-A450 WeakPolarHBondContact O-CB 3.4Å; P447-A450 PolarHBondContact O-N 2.96Å; P447-G451 PolarHBondContact O-N 2.93Å; P447-C452 HydrophobicContact CB-CB 4.4Å; P447-C452 WeakPolarHBondContact O-CB 3.46Å; P447-C452 PolarHBondContact O-N 2.81Å; P447-C452 VanDerWaalsContact O-N 3.09Å; P447-C452 PolarHBondContact O-SG 2.82Å; P447-W465 HydrophobicContact CB-CD2 4.33Å; P447-W465 HydrophobicContact CB-CZ2 4.37Å; P447-W465 HydrophobicContact CG-CD2 4.47Å; P447-W465 HydrophobicContact CG-CH2 4.09Å; P447-W465 HydrophobicContact CG-CZ2 3.78Å
448C82.1Confident76.6Confident1 Ų144.4 Ų44.41%0.00726%0.258CS..THydrogen-bonded Turntrans-63.6-45.3172.8-173.90000112.1D128 C428 S446 A450 G451D128-C448 WeakPolarHBondContact O-CB 3.17Å; D128-C448 PolarHBondContact O-N 3.5Å; C428-C448 WeakPolarHBondContact CA-SG 3.31Å; C428-C448 HydrophobicContact CB-CB 3.83Å; C428-C448 WeakPolarHBondContact CB-SG 3.49Å; C428-C448 WeakPolarHBondContact SG-CB 3.44Å; C428-C448 PolarHBondContact SG-O 3.33Å; C428-C448 VanDerWaalsContact SG-O 3.36Å; C428-C448 CovalentContact SG-SG 2.04Å; C428-C448 PolarHBondContact SG-SG 3.06Å; S446-C448 PolarHBondContact O-N 2.98Å; S446-C448 PolarHBondContact OG-N 3.22Å; C448-A450 PolarHBondContact O-N 3.24Å; C448-G451 WeakPolarHBondContact O-CA 3.4Å; C448-G451 PolarHBondContact O-N 2.81Å
449H83Confident75.3Confident36 Ų3648.7 Ų48.717%0.16728%0.275CS..THydrogen-bonded Turntrans-66-22.2176-68.889000112.7L445 S446 G451 C470L445-H449 HydrophobicContact CB-CB 4.41Å; S446-H449 PolarHBondContact O-N 2.93Å; S446-H449 VanDerWaalsContact O-N 3.1Å; S446-H449 PolarHBondContact OG-N 2.65Å; S446-H449 PolarHBondContact OG-ND1 3.15Å; H449-G451 VanDerWaalsContact C-N 3.25Å; H449-C470 PolarHBondContact O-SG 3.39Å; H449-C470 VanDerWaalsContact O-SG 3.33Å
450A83.1Confident74.3Confident0 Ų047.8 Ų47.80%027%0.265CS..THydrogen-bonded Turntrans-79.9-5.1169.600000113.1V435 F444 S446 P447 C448 C452 C468 G469 C470V435-A450 HydrophobicContact CG2-CB 4.16Å; F444-A450 HydrophobicContact CB-CB 3.94Å; F444-A450 HydrophobicContact CD1-CB 4.06Å; F444-A450 HydrophobicContact CD2-CB 3.88Å; F444-A450 HydrophobicContact CE2-CB 4.39Å; F444-A450 HydrophobicContact CG-CB 3.69Å; S446-A450 PolarHBondContact O-N 3.46Å; S446-A450 VanDerWaalsContact O-N 3.12Å; P447-A450 WeakPolarHBondContact O-CB 3.4Å; P447-A450 PolarHBondContact O-N 2.96Å; C448-A450 PolarHBondContact O-N 3.24Å; A450-C452 VanDerWaalsContact C-N 3.32Å; A450-C468 WeakPolarHBondContact O-CB 3.33Å; A450-G469 PolarHBondContact O-N 3.09Å; A450-C470 WeakPolarHBondContact O-CB 3.48Å; A450-C470 PolarHBondContact O-N 3.38Å; A450-C470 PolarHBondContact O-SG 2.84Å; A450-C470 VanDerWaalsContact O-SG 3.39Å
451G83.7Confident73.5Confident8 Ų848.2 Ų48.28%0.08227%0.273CS..THydrogen-bonded Turntrans70.824.9-178.200000113.4P447 C448 H449 A453 G469P447-G451 PolarHBondContact O-N 2.93Å; C448-G451 WeakPolarHBondContact O-CA 3.4Å; C448-G451 PolarHBondContact O-N 2.81Å; H449-G451 VanDerWaalsContact C-N 3.25Å; G451-A453 PolarHBondContact O-N 3.1Å; G451-G469 PolarHBondContact O-N 3.27Å
452C82.8Confident72.6Confident0 Ų042.2 Ų42.20%025%0.251CS..BIsolated β-bridgetrans-71.8123.2178.9-55.30000110.3V129 C130 P447 A450 W465 C468V129-C452 WeakPolarHBondContact CB-O 3.48Å; C130-C452 WeakPolarHBondContact CB-O 3.39Å; C130-C452 PolarHBondContact N-O 2.81Å; P447-C452 HydrophobicContact CB-CB 4.4Å; P447-C452 WeakPolarHBondContact O-CB 3.46Å; P447-C452 PolarHBondContact O-N 2.81Å; P447-C452 VanDerWaalsContact O-N 3.09Å; P447-C452 PolarHBondContact O-SG 2.82Å; A450-C452 VanDerWaalsContact C-N 3.32Å; C452-W465 HydrophobicContact CB-CB 4.25Å; C452-W465 HydrophobicContact CB-CG 4.38Å; C452-C468 HydrophobicContact CB-CB 4.05Å; C452-C468 WeakPolarHBondContact CB-SG 3.31Å; C452-C468 WeakPolarHBondContact SG-CB 3.33Å; C452-C468 CovalentContact SG-SG 2.04Å; C452-C468 PolarHBondContact SG-SG 3.25Å
453A78.8Confident71.9Confident39 Ų3944.8 Ų44.832%0.32227%0.269SS..BIsolated β-bridgetrans-83152.3179.100000112.1G451 M455 N467G451-A453 PolarHBondContact O-N 3.1Å; A453-M455 PolarHBondContact O-N 3.22Å; A453-N467 PolarHBondContact N-O 3.3Å
454D70.4Confident71.6Confident123 Ų12348.2 Ų48.266%0.65829%0.287SS*.PPolyproline II helixtrans-66.6121.3173.9-165.48.7000110.2V129V129-D454 HydrophobicContact CG2-CB 4.03Å
455M63.6Low71.3Confident52 Ų5249 Ų4926%0.25629%0.29SS..  trans-118.6137.1179.2-81.1-164.1-73.500111.5A453 G457 I458 T466 N467A453-M455 PolarHBondContact O-N 3.22Å; M455-G457 PolarHBondContact O-N 3.36Å; M455-I458 HydrophobicContact CB-CD1 3.96Å; M455-I458 HydrophobicContact CB-CG1 4.2Å; M455-I458 PolarHBondContact O-N 3.41Å; M455-T466 WeakPolarHBondContact CE-O 3.29Å; M455-T466 WeakPolarHBondContact CE-OG1 3.18Å; M455-N467 HydrophobicContact CE-CB 3.71Å; M455-N467 HydrophobicContact SD-CB 4.13Å
456P53.4Low71Confident141 Ų14152.1 Ų52.192%0.91631%0.309SS*.THydrogen-bonded Turntrans-64.3106.1178.525.6-31.8000109.9
457G51.5Low70.9Confident70 Ų7056.8 Ų56.872%0.72233%0.334SS*.THydrogen-bonded Turntrans129.5-10-179.900000115.3M455 K459M455-G457 PolarHBondContact O-N 3.36Å; G457-K459 PolarHBondContact O-N 2.94Å
458I58.9Low70.8Confident58 Ų5857 Ų5730%0.29734%0.336SS..  trans-69.4101.4172.2-61.7-178.8000108.2M455 A462M455-I458 HydrophobicContact CB-CD1 3.96Å; M455-I458 HydrophobicContact CB-CG1 4.2Å; M455-I458 PolarHBondContact O-N 3.41Å; I458-A462 HydrophobicContact CG2-CB 3.46Å; I458-A462 VanDerWaalsContact CG2-CB 3.46Å
459K53Low70.7Confident180 Ų18059.4 Ų59.478%0.78336%0.361SS*.  trans-70.3156173.5-69.8-176.1-179.6179.30110.4G457 G461 A462G457-K459 PolarHBondContact O-N 2.94Å; K459-G461 PolarHBondContact O-N 2.87Å; K459-A462 WeakPolarHBondContact O-CB 3.43Å; K459-A462 PolarHBondContact O-N 3.28Å
460F54.7Low70.5Confident113 Ų11357.8 Ų57.850%0.49635%0.354SS..THydrogen-bonded Turntrans-49.4125.5167.6-172.4-143.3000111.1V125 E225V125-F460 HydrophobicContact CB-CD2 4.28Å; V125-F460 HydrophobicContact CB-CE2 4.28Å; V125-F460 HydrophobicContact CG1-CD2 3.74Å; V125-F460 HydrophobicContact CG1-CE2 3.88Å; V125-F460 HydrophobicContact CG2-CD2 3.81Å; V125-F460 HydrophobicContact CG2-CE2 3.47Å; V125-F460 VanDerWaalsContact CG2-CE2 3.47Å; E225-F460 HydrophobicContact CB-CD1 4.48Å; E225-F460 HydrophobicContact CB-CE1 3.51Å; E225-F460 HydrophobicContact CB-CZ 4.03Å; E225-F460 HydrophobicContact CG-CE1 3.95Å; E225-F460 WeakPolarHBondContact O-CE1 3.25Å; E225-F460 VanDerWaalsContact O-CE2 3.27Å; E225-F460 WeakPolarHBondContact O-CE2 3.16Å; E225-F460 WeakPolarHBondContact O-CZ 3.47Å
461G56.6Low70.1Confident31 Ų3158 Ų5832%0.3236%0.355SS..THydrogen-bonded Turntrans76.827.5-174.200000115K459 S463K459-G461 PolarHBondContact O-N 2.87Å; G461-S463 PolarHBondContact O-N 3.26Å; G461-S463 VanDerWaalsContact O-N 3.11Å
462A63.6Low69.4Low22 Ų2265.1 Ų65.118%0.18238%0.384CS..  trans-51.3122.3166.400000109.8I458 K459 N464 W465I458-A462 HydrophobicContact CG2-CB 3.46Å; I458-A462 VanDerWaalsContact CG2-CB 3.46Å; K459-A462 WeakPolarHBondContact O-CB 3.43Å; K459-A462 PolarHBondContact O-N 3.28Å; A462-N464 VanDerWaalsContact C-N 3.32Å; A462-W465 HydrophobicContact CB-CZ2 4.45Å; A462-W465 WeakPolarHBondContact O-CH2 3.38Å; A462-W465 WeakPolarHBondContact O-CZ2 3.45Å
463S70.6Confident68.4Low53 Ų5372.6 Ų72.637%0.37142%0.424SS..SBendtrans-82.9-17.1177.248.90000111.9G461 K477 K478G461-S463 PolarHBondContact O-N 3.26Å; G461-S463 VanDerWaalsContact O-N 3.11Å; S463-K477 CarbonylContact O-C 3.5Å; S463-K477 WeakPolarHBondContact O-CA 3.13Å; S463-K478 WeakPolarHBondContact O-CB 3.35Å; S463-K478 PolarHBondContact O-N 3.14Å
464N79.9Confident68.1Low74 Ų7471.9 Ų71.940%0.39642%0.415SS..EExtended strand (participates in β ladder)trans-136.7134.4-174.3-63.3-13.3000110.2A462 I475 V476A462-N464 VanDerWaalsContact C-N 3.32Å; N464-I475 HydrophobicContact CB-CG2 3.82Å; N464-V476 CarbonylContact C-O 3.53Å; N464-V476 WeakPolarHBondContact CA-O 3.18Å
465W79.4Confident68.5Low19 Ų1969.5 Ų69.57%0.07240%0.402CS..EExtended strand (participates in β ladder)trans-112.8140.5170.5-65.6-98000109.8V435 P447 C452 A462 V476 K478V435-W465 HydrophobicContact CG1-CE3 4.06Å; V435-W465 HydrophobicContact CG1-CH2 4.18Å; V435-W465 HydrophobicContact CG1-CZ3 3.61Å; P447-W465 HydrophobicContact CB-CD2 4.33Å; P447-W465 HydrophobicContact CB-CZ2 4.37Å; P447-W465 HydrophobicContact CG-CD2 4.47Å; P447-W465 HydrophobicContact CG-CH2 4.09Å; P447-W465 HydrophobicContact CG-CZ2 3.78Å; C452-W465 HydrophobicContact CB-CB 4.25Å; C452-W465 HydrophobicContact CB-CG 4.38Å; A462-W465 HydrophobicContact CB-CZ2 4.45Å; A462-W465 WeakPolarHBondContact O-CH2 3.38Å; A462-W465 WeakPolarHBondContact O-CZ2 3.45Å; W465-V476 HydrophobicContact CB-CB 4.46Å; W465-V476 PolarHBondContact N-O 2.88Å; W465-V476 PolarHBondContact O-N 3.2Å; W465-K478 HydrophobicContact CH2-CB 4.31Å; W465-K478 HydrophobicContact CZ3-CB 3.9Å
466T76.8Confident69.4Low73 Ų7367 Ų6745%0.44839%0.39SS..  trans-115.1158.6169.551.30000107.9M455 I475M455-T466 WeakPolarHBondContact CE-O 3.29Å; M455-T466 WeakPolarHBondContact CE-OG1 3.18Å; T466-I475 HydrophobicContact CG2-CG1 4.28Å
467N79.5Confident70.9Confident98 Ų9864.1 Ų64.152%0.52436%0.363SS..  trans65.356179.9-161.423.2000114.8A453 M455A453-N467 PolarHBondContact N-O 3.3Å; M455-N467 HydrophobicContact CE-CB 3.71Å; M455-N467 HydrophobicContact SD-CB 4.13Å
468C81.5Confident72.3Confident6 Ų662.6 Ų62.64%0.04134%0.336CS..BIsolated β-bridgetrans-104123.8176.4-55.10000110.6A450 C452 C470 S471 V476A450-C468 WeakPolarHBondContact O-CB 3.33Å; C452-C468 HydrophobicContact CB-CB 4.05Å; C452-C468 WeakPolarHBondContact CB-SG 3.31Å; C452-C468 WeakPolarHBondContact SG-CB 3.33Å; C452-C468 CovalentContact SG-SG 2.04Å; C452-C468 PolarHBondContact SG-SG 3.25Å; C468-C470 PolarHBondContact O-N 3.37Å; C468-S471 CarbonylContact O-C 3.52Å; C468-S471 PolarHBondContact O-N 3.22Å; C468-S471 VanDerWaalsContact O-N 3.1Å; C468-V476 HydrophobicContact CB-CG2 4.13Å
469G79.9Confident73.3Confident51 Ų5160.5 Ų60.553%0.52633%0.329SS..THydrogen-bonded Turntrans-60.5-28-174.600000114.5A450 G451A450-G469 PolarHBondContact O-N 3.09Å; G451-G469 PolarHBondContact O-N 3.27Å
470C78.5Confident74.6Confident3 Ų355.5 Ų55.52%0.0231%0.306CS..THydrogen-bonded Turntrans-87-2.8-179.5-56.10000114.1A418 C422 F444 H449 A450 C468A418-C470 WeakPolarHBondContact CA-O 3.47Å; C422-C470 HydrophobicContact CB-CB 3.84Å; C422-C470 WeakPolarHBondContact CB-SG 3.23Å; C422-C470 WeakPolarHBondContact SG-CA 3.48Å; C422-C470 WeakPolarHBondContact SG-CB 3.47Å; C422-C470 CovalentContact SG-SG 2.01Å; C422-C470 PolarHBondContact SG-SG 2.75Å; F444-C470 HydrophobicContact CD1-CB 4.48Å; F444-C470 HydrophobicContact CE1-CB 3.6Å; F444-C470 HydrophobicContact CZ-CB 3.87Å; H449-C470 PolarHBondContact O-SG 3.39Å; H449-C470 VanDerWaalsContact O-SG 3.33Å; A450-C470 WeakPolarHBondContact O-CB 3.48Å; A450-C470 PolarHBondContact O-N 3.38Å; A450-C470 PolarHBondContact O-SG 2.84Å; A450-C470 VanDerWaalsContact O-SG 3.39Å; C468-C470 PolarHBondContact O-N 3.37Å
471S76Confident76Confident4 Ų450.8 Ų50.83%0.02829%0.287CS..SBendtrans-137.3106.3-173.3-174.80000108.5S437 C468 N473 T474S437-S471 PolarHBondContact OG-OG 3.11Å; C468-S471 CarbonylContact O-C 3.52Å; C468-S471 PolarHBondContact O-N 3.22Å; C468-S471 VanDerWaalsContact O-N 3.1Å; S471-N473 PolarHBondContact O-N 3.41Å; S471-T474 PolarHBondContact OG-OG1 3.44Å
472K67.6Low76.8Confident157 Ų15757.2 Ų57.268%0.68331%0.314SS*.SBendtrans-63.595-171.6-74.4-177.1178.8177.90112.3T474K472-T474 PolarHBondContact O-N 2.84Å; K472-T474 VanDerWaalsContact O-N 3.16Å
473N62.7Low77.1Confident158 Ų15858.6 Ų58.685%0.84533%0.325SS*.SBendtrans57.222.5172.8-71.8-15.6000116.2S471S471-N473 PolarHBondContact O-N 3.41Å
474T71.4Confident77.1Confident23 Ų2360.8 Ų60.814%0.14134%0.341CS..  trans-103.6154.7-178.838.80000112.1D439 S471 K472 V476D439-T474 HydrophobicContact CB-CG2 3.91Å; D439-T474 WeakPolarHBondContact OD2-CG2 3.09Å; S471-T474 PolarHBondContact OG-OG1 3.44Å; K472-T474 PolarHBondContact O-N 2.84Å; K472-T474 VanDerWaalsContact O-N 3.16Å; T474-V476 PolarHBondContact O-N 3.44Å
475I79.8Confident77.1Confident73 Ų7357.8 Ų57.837%0.37433%0.325SS..  trans-73.9123.1176-59.4172.5000107.7N464 T466 K477N464-I475 HydrophobicContact CB-CG2 3.82Å; T466-I475 HydrophobicContact CG2-CG1 4.28Å; I475-K477 HydrophobicContact CG2-CG 4.24Å
476V83.1Confident77.4Confident0 Ų063.3 Ų63.30%035%0.352CS..EExtended strand (participates in β ladder)trans-95.8113.7173.2174.50000107.2V435 C436 N464 W465 C468 T474V435-V476 HydrophobicContact CB-CG1 3.53Å; V435-V476 HydrophobicContact CG1-CG1 4.42Å; V435-V476 HydrophobicContact CG2-CG1 3.47Å; V435-V476 VanDerWaalsContact CG2-CG1 3.47Å; C436-V476 CarbonylContact O-C 3.48Å; C436-V476 WeakPolarHBondContact O-CA 3.38Å; N464-V476 CarbonylContact C-O 3.53Å; N464-V476 WeakPolarHBondContact CA-O 3.18Å; W465-V476 HydrophobicContact CB-CB 4.46Å; W465-V476 PolarHBondContact N-O 2.88Å; W465-V476 PolarHBondContact O-N 3.2Å; C468-V476 HydrophobicContact CB-CG2 4.13Å; T474-V476 PolarHBondContact O-N 3.44Å
477K84.5Confident77.9Confident81 Ų8167 Ų6735%0.35236%0.362SS..EExtended strand (participates in β ladder)trans-91.8149.4-179-67.2-170169171.60111.1V435 C436 E438 S463 I475V435-K477 CarbonylContact C-O 3.55Å; V435-K477 VanDerWaalsContact CA-O 3.29Å; V435-K477 WeakPolarHBondContact CA-O 3.45Å; V435-K477 WeakPolarHBondContact CB-O 3.05Å; C436-K477 PolarHBondContact N-O 3.02Å; C436-K477 PolarHBondContact O-N 3.48Å; E438-K477 HydrophobicContact CG-CD 4Å; E438-K477 HydrophobicContact CG-CG 4.18Å; E438-K477 WeakPolarHBondContact OE1-CD 3.41Å; E438-K477 WeakPolarHBondContact OE1-CE 3.35Å; E438-K477 IonicContact OE1-NZ 2.89Å; E438-K477 PolarHBondContact OE1-NZ 3.45Å; E438-K477 IonicContact OE2-NZ 2.65Å; S463-K477 CarbonylContact O-C 3.5Å; S463-K477 WeakPolarHBondContact O-CA 3.13Å; I475-K477 HydrophobicContact CG2-CG 4.24Å
478K79.8Confident78.3Confident37 Ų3765.2 Ų65.216%0.16135%0.35CS..EExtended strand (participates in β ladder)trans-68141.2174-177.3176.6149153.30111.5G227 D233 S463 W465G227-K478 VanDerWaalsContact C-NZ 3.28Å; G227-K478 PolarHBondContact O-NZ 3.19Å; D233-K478 WeakPolarHBondContact OD2-CE 3.5Å; D233-K478 IonicContact OD2-NZ 3.06Å; D233-K478 PolarHBondContact OD2-NZ 3.17Å; S463-K478 WeakPolarHBondContact O-CB 3.35Å; S463-K478 PolarHBondContact O-N 3.14Å; W465-K478 HydrophobicContact CH2-CB 4.31Å; W465-K478 HydrophobicContact CZ3-CB 3.9Å
479G80.1Confident78.7Confident15 Ų1566.5 Ų66.516%0.15536%0.356CS..SBendtrans102.9-177.7176.300000113.5P434 V435 C436P434-G479 WeakPolarHBondContact O-CA 3.49Å; P434-G479 PolarHBondContact O-N 2.85Å; V435-G479 CarbonylContact C-O 3.48Å; V435-G479 WeakPolarHBondContact CA-O 3.41Å; C436-G479 PolarHBondContact N-O 3.08Å
480Y81.8Confident79.2Confident75 Ų7570.7 Ų70.729%0.29436%0.357SS..PPolyproline II helixtrans-73.2153.7172.3-64.2-62.9000110.9P234 L401 F432 P434 T443P234-Y480 HydrophobicContact CB-CE2 3.63Å; P234-Y480 HydrophobicContact CG-CD2 4.2Å; P234-Y480 HydrophobicContact CG-CE2 3.53Å; L401-Y480 HydrophobicContact CD1-CD1 3.83Å; L401-Y480 HydrophobicContact CD1-CE1 4.4Å; L401-Y480 HydrophobicContact CD1-CG 3.94Å; L401-Y480 HydrophobicContact CD2-CD1 4.41Å; L401-Y480 HydrophobicContact CD2-CG 4.46Å; F432-Y480 WeakPolarHBondContact CE1-OH 3.27Å; F432-Y480 HydrophobicContact CZ-CE1 4.09Å; F432-Y480 VanDerWaalsContact CZ-OH 3.29Å; F432-Y480 WeakPolarHBondContact CZ-OH 3.36Å; P434-Y480 HydrophobicContact CB-CD1 4.1Å; P434-Y480 HydrophobicContact CB-CE1 3.89Å; P434-Y480 HydrophobicContact CG-CD1 4.44Å; P434-Y480 HydrophobicContact CG-CE1 4.02Å; T443-Y480 HydrophobicContact CG2-CD1 3.99Å
481C82.4Confident79.9Confident14 Ų1474.8 Ų74.810%0.09538%0.376CS..PPolyproline II helixtrans-65.6141.5168.4-61.10000111.1L401 C436 K441 T443 A483L401-C481 HydrophobicContact CD2-CB 4.28Å; L401-C481 VanDerWaalsContact CD2-O 3.29Å; L401-C481 WeakPolarHBondContact CD2-O 3.17Å; C436-C481 HydrophobicContact CB-CB 4.02Å; C436-C481 WeakPolarHBondContact CB-SG 3.49Å; C436-C481 WeakPolarHBondContact SG-CA 3.2Å; C436-C481 WeakPolarHBondContact SG-CB 3.06Å; C436-C481 CovalentContact SG-SG 2.03Å; C436-C481 PolarHBondContact SG-SG 3.14Å; K441-C481 PolarHBondContact O-SG 3.1Å; T443-C481 PolarHBondContact OG1-SG 3.35Å; T443-C481 VanDerWaalsContact OG1-SG 3.42Å; C481-A483 PolarHBondContact O-N 3.28Å
482D73.8Confident80.6Confident165 Ų16574.8 Ų74.888%0.88238%0.376SS*.PPolyproline II helixtrans-63123.3178.9-76.5-31.6000111.3
483A70.3Confident81.8Confident51 Ų5169.1 Ų69.142%0.42135%0.353SS..PPolyproline II helixtrans-101.3125173.900000110.4C481 C485C481-A483 PolarHBondContact O-N 3.28Å; A483-C485 PolarHBondContact O-N 3.33Å; A483-C485 VanDerWaalsContact O-N 3.09Å
484S70.8Confident83.2Confident100 Ų10067.1 Ų67.170%0.69934%0.341SS*.  trans-73.999.4175.252.20000110.9
485C80.1Confident84.2Confident10 Ų1068.8 Ų68.87%0.06835%0.347CS..  trans-128.18.1-170-163.90000116.2C398 A483 K487 Q488 I489C398-C485 WeakPolarHBondContact CA-SG 3.19Å; C398-C485 HydrophobicContact CB-CB 3.75Å; C398-C485 WeakPolarHBondContact CB-SG 3.25Å; C398-C485 WeakPolarHBondContact SG-CB 3.04Å; C398-C485 CovalentContact SG-SG 2.01Å; C398-C485 PolarHBondContact SG-SG 2.91Å; A483-C485 PolarHBondContact O-N 3.33Å; A483-C485 VanDerWaalsContact O-N 3.09Å; C485-K487 VanDerWaalsContact C-N 3.35Å; C485-K487 PolarHBondContact O-N 3.41Å; C485-Q488 PolarHBondContact O-N 3.32Å; C485-Q488 PolarHBondContact O-OE1 2.87Å; C485-I489 HydrophobicContact CB-CD1 4.15Å; C485-I489 WeakPolarHBondContact O-CD1 3.39Å; C485-I489 VanDerWaalsContact O-CG1 3.32Å; C485-I489 WeakPolarHBondContact O-CG1 3.33Å; C485-I489 PolarHBondContact O-N 3.49Å
486Q84.4Confident84.8Confident136 Ų13665.9 Ų65.964%0.63633%0.332SS*.Hα-helixtrans-61.1-39.3-170.5-170.5173.40.200113.5Y490Q486-Y490 HydrophobicContact CG-CD2 4.11Å; Q486-Y490 HydrophobicContact CG-CE2 3.57Å; Q486-Y490 WeakPolarHBondContact O-CD2 3.31Å; Q486-Y490 PolarHBondContact O-N 3.12Å
487K87.6Confident85.4Confident151 Ų15168.8 Ų68.866%0.65735%0.347SS*.Hα-helixtrans-67.4-44.3179.5-174.7-179.9178.5-177.40112.1C485 I489 Y490 Q491C485-K487 VanDerWaalsContact C-N 3.35Å; C485-K487 PolarHBondContact O-N 3.41Å; K487-I489 VanDerWaalsContact C-N 3.33Å; K487-Y490 PolarHBondContact O-N 2.92Å; K487-Q491 WeakPolarHBondContact O-CG 3.29Å; K487-Q491 PolarHBondContact O-N 3.47Å; K487-Q491 VanDerWaalsContact O-N 3.14Å
488Q89.3Confident85.9Confident60 Ų6066.6 Ų66.628%0.2834%0.344SS..Hα-helixtrans-63.8-40.8179.5-64.287.7-2600110.7I396 C485 Y490 Q491 F492I396-Q488 HydrophobicContact CG2-CB 3.83Å; I396-Q488 HydrophobicContact CG2-CG 4.46Å; I396-Q488 WeakPolarHBondContact CG2-O 3.25Å; C485-Q488 PolarHBondContact O-N 3.32Å; C485-Q488 PolarHBondContact O-OE1 2.87Å; Q488-Y490 PolarHBondContact O-N 3.23Å; Q488-Q491 PolarHBondContact O-N 3.11Å; Q488-F492 WeakPolarHBondContact O-CB 3.37Å; Q488-F492 PolarHBondContact O-N 2.84Å
489I89.4Confident86.6Confident33 Ų3365 Ų6517%0.16934%0.337CS..Hα-helixtrans-57.9-49.2176.1-73163.2000111.5L336 F338 C485 K487 Q491 F492 I493L336-I489 HydrophobicContact CB-CG1 4.48Å; L336-I489 HydrophobicContact CD2-CG1 4.21Å; F338-I489 HydrophobicContact CE1-CD1 3.8Å; F338-I489 HydrophobicContact CE1-CG1 4.24Å; F338-I489 HydrophobicContact CE1-CG2 4.38Å; F338-I489 HydrophobicContact CZ-CD1 4.08Å; F338-I489 HydrophobicContact CZ-CG1 4.03Å; F338-I489 HydrophobicContact CZ-CG2 3.68Å; C485-I489 HydrophobicContact CB-CD1 4.15Å; C485-I489 WeakPolarHBondContact O-CD1 3.39Å; C485-I489 VanDerWaalsContact O-CG1 3.32Å; C485-I489 WeakPolarHBondContact O-CG1 3.33Å; C485-I489 PolarHBondContact O-N 3.49Å; K487-I489 VanDerWaalsContact C-N 3.33Å; I489-Q491 PolarHBondContact O-N 3.28Å; I489-F492 PolarHBondContact O-N 3.37Å; I489-I493 HydrophobicContact CG2-CD1 3.81Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.1Å
490Y90.2Very high87.3Confident139 Ų13964.7 Ų64.755%0.54533%0.332SS..Hα-helixtrans-63.9-41.4179.2-73.1-62.9000112.4Q486 K487 Q488 I493 I494Q486-Y490 HydrophobicContact CG-CD2 4.11Å; Q486-Y490 HydrophobicContact CG-CE2 3.57Å; Q486-Y490 WeakPolarHBondContact O-CD2 3.31Å; Q486-Y490 PolarHBondContact O-N 3.12Å; K487-Y490 PolarHBondContact O-N 2.92Å; Q488-Y490 PolarHBondContact O-N 3.23Å; Y490-I493 PolarHBondContact O-N 3.1Å; Y490-I494 WeakPolarHBondContact O-CG1 3.46Å; Y490-I494 PolarHBondContact O-N 2.97Å; Y490-I494 VanDerWaalsContact O-N 3.13Å
491Q92Very high87.9Confident89 Ų8964.4 Ų64.442%0.41633%0.333SS..Hα-helixtrans-61.9-44.6176.4-70.6178.6-26.500111.6I396 K487 Q488 I489 M495I396-Q491 HydrophobicContact CD1-CB 3.94Å; K487-Q491 WeakPolarHBondContact O-CG 3.29Å; K487-Q491 PolarHBondContact O-N 3.47Å; K487-Q491 VanDerWaalsContact O-N 3.14Å; Q488-Q491 PolarHBondContact O-N 3.11Å; I489-Q491 PolarHBondContact O-N 3.28Å; Q491-M495 WeakPolarHBondContact O-CG 3.47Å; Q491-M495 PolarHBondContact O-N 3.49Å; Q491-M495 VanDerWaalsContact O-N 3.16Å
492F92Very high88.5Confident4 Ų463.9 Ų63.92%0.01833%0.329CS..Hα-helixtrans-57.2-51.7175.7179.2-81.5000111.1L332 L335 L336 C393 I396 Q488 I489 I494 M495 F496L332-F492 HydrophobicContact CD2-CD1 4.3Å; L332-F492 HydrophobicContact CD2-CE1 3.29Å; L332-F492 HydrophobicContact CD2-CZ 3.48Å; L332-F492 VanDerWaalsContact CD2-CZ 3.48Å; L335-F492 HydrophobicContact CD1-CE2 4.38Å; L336-F492 HydrophobicContact CD1-CB 4.3Å; L336-F492 HydrophobicContact CD1-CD1 3.63Å; L336-F492 HydrophobicContact CD1-CD2 4.37Å; L336-F492 HydrophobicContact CD1-CE1 4.05Å; L336-F492 HydrophobicContact CD1-CG 3.83Å; L336-F492 HydrophobicContact CD2-CB 4.24Å; L336-F492 HydrophobicContact CD2-CD2 4.38Å; L336-F492 HydrophobicContact CD2-CG 4.24Å; L336-F492 HydrophobicContact CG-CG 4.47Å; C393-F492 HydrophobicContact CB-CD2 4.39Å; C393-F492 WeakPolarHBondContact O-CD2 3.18Å; C393-F492 WeakPolarHBondContact O-CE2 3.44Å; I396-F492 HydrophobicContact CB-CB 4.41Å; I396-F492 HydrophobicContact CB-CD2 4.41Å; I396-F492 HydrophobicContact CG2-CB 4.19Å; Q488-F492 WeakPolarHBondContact O-CB 3.37Å; Q488-F492 PolarHBondContact O-N 2.84Å; I489-F492 PolarHBondContact O-N 3.37Å; F492-I494 PolarHBondContact O-N 2.98Å; F492-M495 PolarHBondContact O-N 2.88Å; F492-F496 HydrophobicContact CD1-CB 4.23Å; F492-F496 HydrophobicContact CE1-CB 3.92Å; F492-F496 HydrophobicContact CE1-CD1 4.18Å; F492-F496 HydrophobicContact CE1-CD2 4.36Å; F492-F496 AromaticContact CE1-CG 3.92Å; F492-F496 HydrophobicContact CE1-CG 3.92Å; F492-F496 HydrophobicContact CZ-CB 4.46Å; F492-F496 HydrophobicContact CZ-CD2 4.27Å; F492-F496 HydrophobicContact CZ-CG 4.29Å; F492-F496 WeakPolarHBondContact O-CB 3.35Å; F492-F496 PolarHBondContact O-N 3.35Å
493I91.4Very high89.5Confident38 Ų3856.7 Ų56.720%0.19529%0.291CS..Hα-helixtrans-60.8-44.8-175.9-69.1168.9000111.2I489 Y490 M495 F496 I497I489-I493 HydrophobicContact CG2-CD1 3.81Å; I489-I493 WeakPolarHBondContact O-CG1 3.44Å; I489-I493 PolarHBondContact O-N 3.1Å; Y490-I493 PolarHBondContact O-N 3.1Å; I493-M495 PolarHBondContact O-N 3.44Å; I493-F496 PolarHBondContact O-N 3.02Å; I493-I497 HydrophobicContact CG2-CD1 3.88Å; I493-I497 HydrophobicContact CG2-CG1 4.48Å; I493-I497 VanDerWaalsContact O-CG1 3.28Å; I493-I497 WeakPolarHBondContact O-CG1 3.29Å; I493-I497 PolarHBondContact O-N 3.14Å
494I93.1Very high90.6Very high116 Ų11656.9 Ų56.960%0.59528%0.282SS*.Hα-helixtrans-61.6-47.2179.7-68.3168.3000110.9Y490 F492 F496 I497 A498Y490-I494 WeakPolarHBondContact O-CG1 3.46Å; Y490-I494 PolarHBondContact O-N 2.97Å; Y490-I494 VanDerWaalsContact O-N 3.13Å; F492-I494 PolarHBondContact O-N 2.98Å; I494-F496 VanDerWaalsContact C-N 3.34Å; I494-I497 PolarHBondContact O-N 2.92Å; I494-A498 PolarHBondContact O-N 3.49Å; I494-A498 VanDerWaalsContact O-N 3.08Å
495M93.5Very high91.7Very high57 Ų5752.3 Ų52.328%0.28125%0.25SC..Hα-helixtrans-70.4-32.2179.7-66.4-17666.500112.4S392 C393 I396 Q491 F492 I493 A498 L499S392-M495 WeakPolarHBondContact OG-CE 3.03Å; C393-M495 HydrophobicContact CB-CB 3.53Å; I396-M495 HydrophobicContact CD1-SD 3.71Å; Q491-M495 WeakPolarHBondContact O-CG 3.47Å; Q491-M495 PolarHBondContact O-N 3.49Å; Q491-M495 VanDerWaalsContact O-N 3.16Å; F492-M495 PolarHBondContact O-N 2.88Å; I493-M495 PolarHBondContact O-N 3.44Å; M495-A498 PolarHBondContact O-N 3.4Å; M495-L499 WeakPolarHBondContact O-CB 3.35Å; M495-L499 PolarHBondContact O-N 3.26Å
496F92.4Very high92.4Very high12 Ų1252.4 Ų52.45%0.05325%0.25CS..Hα-helixtrans-69.8-34.9175.5-168.6-120.7000112.4I328 V351 F492 I493 I494 L499 S500I328-F496 HydrophobicContact CD1-CZ 4.07Å; I328-F496 HydrophobicContact CG1-CZ 4.18Å; I328-F496 HydrophobicContact CG2-CZ 4.38Å; V351-F496 HydrophobicContact CG2-CD1 4Å; V351-F496 HydrophobicContact CG2-CE1 3.28Å; V351-F496 HydrophobicContact CG2-CZ 4.02Å; F492-F496 HydrophobicContact CD1-CB 4.23Å; F492-F496 HydrophobicContact CE1-CB 3.92Å; F492-F496 HydrophobicContact CE1-CD1 4.18Å; F492-F496 HydrophobicContact CE1-CD2 4.36Å; F492-F496 AromaticContact CE1-CG 3.92Å; F492-F496 HydrophobicContact CE1-CG 3.92Å; F492-F496 HydrophobicContact CZ-CB 4.46Å; F492-F496 HydrophobicContact CZ-CD2 4.27Å; F492-F496 HydrophobicContact CZ-CG 4.29Å; F492-F496 WeakPolarHBondContact O-CB 3.35Å; F492-F496 PolarHBondContact O-N 3.35Å; I493-F496 PolarHBondContact O-N 3.02Å; I494-F496 VanDerWaalsContact C-N 3.34Å; F496-L499 HydrophobicContact CD2-CD2 4.09Å; F496-L499 HydrophobicContact CE2-CD2 4.34Å; F496-L499 PolarHBondContact O-N 3.45Å; F496-S500 WeakPolarHBondContact O-CB 3.43Å; F496-S500 PolarHBondContact O-N 3.39Å; F496-S500 PolarHBondContact O-OG 3.08Å
497I94.6Very high92.7Very high61 Ų6148.1 Ų48.131%0.31324%0.238SC..Hα-helixtrans-61.8-47.7168.7-72.2165000110.2V350 V354 I493 I494 L499 S500 F501V350-I497 HydrophobicContact CG1-CD1 3.63Å; V350-I497 HydrophobicContact CG1-CG1 3.3Å; V354-I497 HydrophobicContact CG1-CG2 4.46Å; V354-I497 HydrophobicContact CG2-CG1 4.49Å; V354-I497 HydrophobicContact CG2-CG2 3.99Å; I493-I497 HydrophobicContact CG2-CD1 3.88Å; I493-I497 HydrophobicContact CG2-CG1 4.48Å; I493-I497 VanDerWaalsContact O-CG1 3.28Å; I493-I497 WeakPolarHBondContact O-CG1 3.29Å; I493-I497 PolarHBondContact O-N 3.14Å; I494-I497 PolarHBondContact O-N 2.92Å; I497-L499 PolarHBondContact O-N 3.37Å; I497-S500 PolarHBondContact O-N 3Å; I497-F501 WeakPolarHBondContact O-CB 3.47Å; I497-F501 PolarHBondContact O-N 3.39Å
498A95.5Very high92.8Very high35 Ų3542.2 Ų42.229%0.28922%0.215SC..Hα-helixtrans-61.2-44.1178.100000111.8I494 M495 F501 C502I494-A498 PolarHBondContact O-N 3.49Å; I494-A498 VanDerWaalsContact O-N 3.08Å; M495-A498 PolarHBondContact O-N 3.4Å; A498-F501 PolarHBondContact O-N 2.9Å; A498-C502 PolarHBondContact O-N 3.32Å; A498-C502 PolarHBondContact O-SG 3.28Å
499L94.4Very high92.9Very high5 Ų539.4 Ų39.43%0.02620%0.202CC..Hα-helixtrans-56.9-52174175.764.2000111.3A387 C390 M495 F496 I497 F501 C502 I503A387-L499 HydrophobicContact CB-CD1 4.08Å; A387-L499 WeakPolarHBondContact O-CD1 3.42Å; C390-L499 HydrophobicContact CB-CB 3.93Å; C390-L499 HydrophobicContact CB-CD1 4.4Å; M495-L499 WeakPolarHBondContact O-CB 3.35Å; M495-L499 PolarHBondContact O-N 3.26Å; F496-L499 HydrophobicContact CD2-CD2 4.09Å; F496-L499 HydrophobicContact CE2-CD2 4.34Å; F496-L499 PolarHBondContact O-N 3.45Å; I497-L499 PolarHBondContact O-N 3.37Å; L499-F501 VanDerWaalsContact C-N 3.33Å; L499-F501 PolarHBondContact O-N 3.03Å; L499-C502 PolarHBondContact O-N 3.23Å; L499-I503 HydrophobicContact CD1-CD1 3.89Å; L499-I503 HydrophobicContact CD1-CG1 4.41Å; L499-I503 HydrophobicContact CG-CD1 4.02Å; L499-I503 WeakPolarHBondContact O-CG1 3.29Å; L499-I503 PolarHBondContact O-N 2.82Å; L499-I503 VanDerWaalsContact O-N 3.08Å
500S93.4Very high93Very high7 Ų738.4 Ų38.45%0.04920%0.197CC..Hα-helixtrans-58.7-45.8179.6-600000111F496 I497 C502 I503 F504F496-S500 WeakPolarHBondContact O-CB 3.43Å; F496-S500 PolarHBondContact O-N 3.39Å; F496-S500 PolarHBondContact O-OG 3.08Å; I497-S500 PolarHBondContact O-N 3Å; S500-C502 PolarHBondContact O-N 3.18Å; S500-I503 PolarHBondContact O-N 3.32Å; S500-F504 WeakPolarHBondContact O-CD2 3.46Å; S500-F504 PolarHBondContact O-N 2.92Å
501F95.5Very high92.9Very high70 Ų7036.7 Ų36.731%0.30719%0.194SC..Hα-helixtrans-58.4-46.7177.4-178.3-93.3000112.1V354 A358 I361 F383 I497 A498 L499 I503 F504 I505V354-F501 HydrophobicContact CG1-CB 3.99Å; A358-F501 HydrophobicContact CB-CD2 3.68Å; A358-F501 HydrophobicContact CB-CE2 4.04Å; A358-F501 HydrophobicContact CB-CG 4.31Å; I361-F501 HydrophobicContact CD1-CE2 4.19Å; F383-F501 HydrophobicContact CE1-CE1 4.27Å; I497-F501 WeakPolarHBondContact O-CB 3.47Å; I497-F501 PolarHBondContact O-N 3.39Å; A498-F501 PolarHBondContact O-N 2.9Å; L499-F501 VanDerWaalsContact C-N 3.33Å; L499-F501 PolarHBondContact O-N 3.03Å; F501-I503 VanDerWaalsContact C-N 3.31Å; F501-I503 PolarHBondContact O-N 3.49Å; F501-F504 PolarHBondContact O-N 2.96Å; F501-I505 HydrophobicContact CE1-CD1 3.91Å; F501-I505 HydrophobicContact CZ-CD1 3.84Å; F501-I505 WeakPolarHBondContact O-CB 3.4Å; F501-I505 VanDerWaalsContact O-CG2 3.23Å; F501-I505 WeakPolarHBondContact O-CG2 3.44Å; F501-I505 PolarHBondContact O-N 3.13Å
502C95.7Very high92.6Very high3 Ų334 Ų342%0.0219%0.185CC..Hα-helixtrans-62.6-37.7179.6-64.50000112.8F383 M386 A387 A498 L499 S500 I505 T506F383-C502 HydrophobicContact CD1-CB 4.28Å; M386-C502 WeakPolarHBondContact CE-SG 3.37Å; A387-C502 HydrophobicContact CB-CB 3.77Å; A498-C502 PolarHBondContact O-N 3.32Å; A498-C502 PolarHBondContact O-SG 3.28Å; L499-C502 PolarHBondContact O-N 3.23Å; S500-C502 PolarHBondContact O-N 3.18Å; C502-I505 WeakPolarHBondContact O-CG2 3.43Å; C502-T506 WeakPolarHBondContact O-CG2 3.44Å
503I93.6Very high92.3Very high14 Ų1433.8 Ų33.87%0.07218%0.184CC..Hα-helixtrans-69.4-55.4177.9-68171.4000109.7M321 A387 L499 S500 F501 I505 T506M321-I503 HydrophobicContact CE-CG2 3.51Å; M321-I503 HydrophobicContact SD-CD1 4.48Å; M321-I503 HydrophobicContact SD-CG2 3.46Å; M321-I503 WeakPolarHBondContact SD-CG2 3.36Å; A387-I503 HydrophobicContact CB-CG1 4.3Å; L499-I503 HydrophobicContact CD1-CD1 3.89Å; L499-I503 HydrophobicContact CD1-CG1 4.41Å; L499-I503 HydrophobicContact CG-CD1 4.02Å; L499-I503 WeakPolarHBondContact O-CG1 3.29Å; L499-I503 PolarHBondContact O-N 2.82Å; L499-I503 VanDerWaalsContact O-N 3.08Å; S500-I503 PolarHBondContact O-N 3.32Å; F501-I503 VanDerWaalsContact C-N 3.31Å; F501-I503 PolarHBondContact O-N 3.49Å; I503-I505 PolarHBondContact O-N 3.3Å; I503-T506 PolarHBondContact O-N 3.16Å; I503-T506 PolarHBondContact O-OG1 2.89Å
504F93Very high92Very high54 Ų5432.2 Ų32.224%0.23718%0.176CC..Hα-helixtrans-69.8-28.4-172.2-76-69000114.1M321 V351 G355 A358 S500 F501 T506 P508M321-F504 HydrophobicContact CE-CE1 3.95Å; M321-F504 HydrophobicContact CE-CZ 3.95Å; V351-F504 HydrophobicContact CG1-CE2 4.19Å; G355-F504 VanDerWaalsContact CA-CG 3.43Å; A358-F504 HydrophobicContact CB-CB 3.7Å; S500-F504 WeakPolarHBondContact O-CD2 3.46Å; S500-F504 PolarHBondContact O-N 2.92Å; F501-F504 PolarHBondContact O-N 2.96Å; F504-T506 VanDerWaalsContact C-N 3.27Å; F504-T506 PolarHBondContact O-N 2.76Å; F504-P508 VanDerWaalsContact O-CD 3.29Å; F504-P508 WeakPolarHBondContact O-CD 3.24Å
505I94.9Very high91.5Very high5 Ų529.2 Ų29.23%0.02616%0.161CC..Hα-helixtrans-66.7-29.9175.5-164.5173.3000112.5A358 I361 G362 I365 F379 F383 F501 C502 I503A358-I505 HydrophobicContact CB-CB 4.32Å; A358-I505 WeakPolarHBondContact O-CA 3.4Å; I361-I505 HydrophobicContact CG2-CD1 3.95Å; I361-I505 HydrophobicContact CG2-CG1 4.39Å; G362-I505 VanDerWaalsContact CA-O 3.29Å; G362-I505 WeakPolarHBondContact CA-O 3.25Å; I365-I505 HydrophobicContact CD1-CD1 3.88Å; I365-I505 HydrophobicContact CD1-CG1 4.3Å; F379-I505 HydrophobicContact CZ-CD1 4.38Å; F383-I505 HydrophobicContact CD1-CG2 3.5Å; F383-I505 HydrophobicContact CE1-CD1 4.16Å; F383-I505 HydrophobicContact CE1-CG2 3.7Å; F383-I505 HydrophobicContact CG-CG2 4.14Å; F383-I505 HydrophobicContact CZ-CD1 4.21Å; F501-I505 HydrophobicContact CE1-CD1 3.91Å; F501-I505 HydrophobicContact CZ-CD1 3.84Å; F501-I505 WeakPolarHBondContact O-CB 3.4Å; F501-I505 VanDerWaalsContact O-CG2 3.23Å; F501-I505 WeakPolarHBondContact O-CG2 3.44Å; F501-I505 PolarHBondContact O-N 3.13Å; C502-I505 WeakPolarHBondContact O-CG2 3.43Å; I503-I505 PolarHBondContact O-N 3.3Å
506T93.9Very high91Very high12 Ų1229.3 Ų29.37%0.07416%0.158CC..Hα-helixtrans-81.9-27-177.262.30000113.5V380 F383 C502 I503 F504 V509 L510V380-T506 HydrophobicContact CG1-CG2 4.33Å; V380-T506 HydrophobicContact CG2-CG2 4.49Å; F383-T506 HydrophobicContact CB-CG2 3.37Å; F383-T506 HydrophobicContact CG-CG2 4.14Å; C502-T506 WeakPolarHBondContact O-CG2 3.44Å; I503-T506 PolarHBondContact O-N 3.16Å; I503-T506 PolarHBondContact O-OG1 2.89Å; F504-T506 VanDerWaalsContact C-N 3.27Å; F504-T506 PolarHBondContact O-N 2.76Å; T506-V509 WeakPolarHBondContact O-CB 3.21Å; T506-V509 PolarHBondContact O-N 2.94Å; T506-L510 WeakPolarHBondContact O-CB 2.97Å; T506-L510 PolarHBondContact O-N 2.99Å
507A90.7Very high90.5Very high46 Ų4629.7 Ų29.738%0.3816%0.161SC..Hα-helixtrans-58.8-49.6-173.700000114.1V509 L510 Q511A507-V509 VanDerWaalsContact C-N 3.33Å; A507-V509 PolarHBondContact O-N 3.16Å; A507-L510 PolarHBondContact O-N 3.48Å; A507-Q511 WeakPolarHBondContact O-CB 3.4Å; A507-Q511 PolarHBondContact O-N 2.95Å
508P90.3Very high89.8Confident27 Ų2727.2 Ų27.218%0.17515%0.149CC..Hα-helixtrans-66.5-34.4177.5-17.429.3000113.2S359 F504 S512S359-P508 VanDerWaalsContact O-CG 3.3Å; S359-P508 WeakPolarHBondContact O-CG 3.5Å; F504-P508 VanDerWaalsContact O-CD 3.29Å; F504-P508 WeakPolarHBondContact O-CD 3.24Å; P508-S512 VanDerWaalsContact O-CB 3.3Å; P508-S512 WeakPolarHBondContact O-CB 3.02Å; P508-S512 PolarHBondContact O-N 2.95Å; P508-S512 PolarHBondContact O-OG 3.36Å
509V91.7Very high88.8Confident0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-64-47.6177.7177.10000109.6G362 I365 F369 S376 F379 V380 T506 A507 S512 S513G362-V509 VanDerWaalsContact O-CG2 3.29Å; G362-V509 WeakPolarHBondContact O-CG2 3.46Å; I365-V509 HydrophobicContact CB-CG2 4.42Å; I365-V509 HydrophobicContact CG2-CG2 4.16Å; F369-V509 HydrophobicContact CD2-CG1 4.31Å; S376-V509 WeakPolarHBondContact OG-CG1 3.32Å; F379-V509 HydrophobicContact CD1-CG1 4.1Å; F379-V509 HydrophobicContact CD1-CG2 4.45Å; F379-V509 HydrophobicContact CE1-CG2 4.12Å; V380-V509 HydrophobicContact CG2-CB 4.44Å; V380-V509 HydrophobicContact CG2-CG1 4.04Å; T506-V509 WeakPolarHBondContact O-CB 3.21Å; T506-V509 PolarHBondContact O-N 2.94Å; A507-V509 VanDerWaalsContact C-N 3.33Å; A507-V509 PolarHBondContact O-N 3.16Å; V509-S512 PolarHBondContact O-OG 2.81Å; V509-S513 VanDerWaalsContact O-CB 3.31Å; V509-S513 WeakPolarHBondContact O-CB 3.43Å; V509-S513 PolarHBondContact O-N 2.99Å; V509-S513 VanDerWaalsContact O-N 3.08Å; V509-S513 PolarHBondContact O-OG 2.84Å
510L90.8Very high87.6Confident13 Ų1337 Ų377%0.06819%0.192CC..Hα-helixtrans-64.3-47.6177.417961.5000112.2M313 Q314 V380 T506 A507 S512 S513 S514 L593M313-L510 HydrophobicContact CE-CD1 3.32Å; M313-L510 HydrophobicContact CE-CD2 3.23Å; M313-L510 HydrophobicContact CE-CG 3.87Å; M313-L510 HydrophobicContact SD-CD2 4.04Å; Q314-L510 HydrophobicContact CG-CD2 3.71Å; Q314-L510 HydrophobicContact CG-CG 4.21Å; V380-L510 HydrophobicContact CG2-CB 4.45Å; T506-L510 WeakPolarHBondContact O-CB 2.97Å; T506-L510 PolarHBondContact O-N 2.99Å; A507-L510 PolarHBondContact O-N 3.48Å; L510-S512 PolarHBondContact O-N 3Å; L510-S513 PolarHBondContact O-N 3.39Å; L510-S514 WeakPolarHBondContact O-CB 3.28Å; L510-S514 PolarHBondContact O-N 3.35Å; L510-L593 HydrophobicContact CD1-CD2 4.2Å
511Q87.6Confident86.3Confident103 Ų10340.5 Ų40.548%0.48121%0.207SC..Hα-helixtrans-61.4-47.9-178.4-170.8177.28.100111.4A507 S513 S514 L515A507-Q511 WeakPolarHBondContact O-CB 3.4Å; A507-Q511 PolarHBondContact O-N 2.95Å; Q511-S513 VanDerWaalsContact C-N 3.34Å; Q511-S513 PolarHBondContact O-N 3.13Å; Q511-S514 PolarHBondContact O-N 3.21Å; Q511-S514 PolarHBondContact O-OG 3.22Å; Q511-L515 PolarHBondContact O-N 3.46Å
512S85.7Confident85.1Confident31 Ų3139.6 Ų39.622%0.21720%0.203CC..Hα-helixtrans-65.3-34.7178.4610000113.5S366 P508 V509 L510 R516S366-S512 VanDerWaalsContact CB-OG 3.25Å; S366-S512 WeakPolarHBondContact CB-OG 3.32Å; P508-S512 VanDerWaalsContact O-CB 3.3Å; P508-S512 WeakPolarHBondContact O-CB 3.02Å; P508-S512 PolarHBondContact O-N 2.95Å; P508-S512 PolarHBondContact O-OG 3.36Å; V509-S512 PolarHBondContact O-OG 2.81Å; L510-S512 PolarHBondContact O-N 3Å; S512-R516 PolarHBondContact O-NE 2.78Å
513S86.3Confident84Confident0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-74.3-33.4176-72.10000112.9S376 M377 V509 L510 Q511 L515 R516S376-S513 WeakPolarHBondContact CB-OG 3.34Å; S376-S513 PolarHBondContact OG-OG 3.49Å; M377-S513 VanDerWaalsContact CE-CB 3.46Å; V509-S513 VanDerWaalsContact O-CB 3.31Å; V509-S513 WeakPolarHBondContact O-CB 3.43Å; V509-S513 PolarHBondContact O-N 2.99Å; V509-S513 VanDerWaalsContact O-N 3.08Å; V509-S513 PolarHBondContact O-OG 2.84Å; L510-S513 PolarHBondContact O-N 3.39Å; Q511-S513 VanDerWaalsContact C-N 3.34Å; Q511-S513 PolarHBondContact O-N 3.13Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 2.95Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 PolarHBondContact O-N 2.83Å; S513-R516 VanDerWaalsContact O-N 3.09Å
514S85.7Confident82.9Confident5 Ų548.3 Ų48.34%0.03524%0.244CC..Hα-helixtrans-61.6-37.5178.575.30000112.7L510 Q511 R516 V517L510-S514 WeakPolarHBondContact O-CB 3.28Å; L510-S514 PolarHBondContact O-N 3.35Å; Q511-S514 PolarHBondContact O-N 3.21Å; Q511-S514 PolarHBondContact O-OG 3.22Å; S514-R516 PolarHBondContact O-N 2.04Å; S514-R516 VanDerWaalsContact O-N 3.13Å; S514-V517 PolarHBondContact O-N 3.36Å
515L83.3Confident82.1Confident53 Ų5348.4 Ų48.428%0.27725%0.245SC..THydrogen-bonded Turntrans-66.4-12.9177-65.9175.9000113.6Q511 S513 R523 F526 T527Q511-L515 PolarHBondContact O-N 3.46Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 2.95Å; L515-R523 HydrophobicContact CD2-CB 4.36Å; L515-R523 PolarHBondContact O-NE 2.96Å; L515-F526 HydrophobicContact CD2-CD1 4.45Å; L515-T527 VanDerWaalsContact CD2-OG1 3.27Å; L515-T527 WeakPolarHBondContact CD2-OG1 3.38Å
516R81.6Confident81.5Confident59 Ų5948.4 Ų48.422%0.22325%0.245CC..THydrogen-bonded Turntrans-89.9-19.8-178.4-56.3176.1-165.8165.8-1.3112.9S366 F369 E370 S512 S513 S514 V518S366-R516 PolarHBondContact O-NH2 2.91Å; F369-R516 PolarHBondContact O-NH1 3.36Å; E370-R516 VanDerWaalsContact O-CZ 3.32Å; E370-R516 PolarHBondContact O-NH1 2.86Å; S512-R516 PolarHBondContact O-NE 2.78Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 PolarHBondContact O-N 2.83Å; S513-R516 VanDerWaalsContact O-N 3.09Å; S514-R516 PolarHBondContact O-N 2.04Å; S514-R516 VanDerWaalsContact O-N 3.13Å; R516-V518 PolarHBondContact O-N 3.11Å
517V81.8Confident80.9Confident20 Ų2049.9 Ų49.912%0.12125%0.254CS..SBendtrans-68.4-19.5177.4-168.40000111.3T306 C307 F373 S514T306-V517 HydrophobicContact CG2-CG1 3.6Å; T306-V517 HydrophobicContact CG2-CG2 4.28Å; C307-V517 WeakPolarHBondContact SG-CG1 3.19Å; F373-V517 HydrophobicContact CD2-CG2 4.18Å; F373-V517 HydrophobicContact CE2-CG2 3.4Å; F373-V517 HydrophobicContact CZ-CG2 3.74Å; S514-V517 PolarHBondContact O-N 3.36Å
518V80.9Confident80.5Confident10 Ų1051.8 Ų51.86%0.06126%0.264CS..SBendtrans-119.4140.8-175-1770000110.1L301 C307 R516 H522 F526L301-V518 HydrophobicContact CD2-CG1 4.36Å; L301-V518 HydrophobicContact CD2-CG2 3.94Å; C307-V518 WeakPolarHBondContact SG-CG2 3.32Å; R516-V518 PolarHBondContact O-N 3.11Å; V518-H522 HydrophobicContact CG1-CB 3.5Å; V518-H522 VanDerWaalsContact CG1-CB 3.5Å; V518-F526 HydrophobicContact CB-CB 4.4Å; V518-F526 HydrophobicContact CG1-CB 4.36Å; V518-F526 HydrophobicContact CG2-CB 4Å; V518-F526 HydrophobicContact CG2-CD2 3.75Å; V518-F526 HydrophobicContact CG2-CE2 4.35Å; V518-F526 HydrophobicContact CG2-CG 3.83Å
519N74.6Confident80.2Confident111 Ų11151.3 Ų51.359%0.59426%0.259SS*.  trans-57.7148175.1-166.8-16000110.6K521 H522 R523N519-K521 PolarHBondContact O-N 3.17Å; N519-H522 PolarHBondContact O-N 3.27Å; N519-R523 PolarHBondContact O-N 2.95Å
520H67.8Low80Confident134 Ų13451.5 Ų51.562%0.6226%0.261SS*.G310 helixtrans-50.2-37-176.9-160.8-71.4000113.2H522 R523H520-H522 PolarHBondContact O-N 3.28Å; H520-R523 PolarHBondContact CD2-NH1 2.82Å
521K67.3Low79.8Confident81 Ų8156.9 Ų56.935%0.35228%0.28SS..G310 helixtrans-64.6-21.1178.7-61.8-171.7174.9-174.30114.6S282 L283 N519S282-K521 PolarHBondContact OG-NZ 2.83Å; L283-K521 HydrophobicContact CD1-CG 4.35Å; L283-K521 HydrophobicContact CD2-CB 4.43Å; L283-K521 HydrophobicContact CD2-CD 4.15Å; L283-K521 HydrophobicContact CD2-CG 4.12Å; L283-K521 HydrophobicContact CG-CD 4.4Å; L283-K521 HydrophobicContact CG-CG 4.49Å; N519-K521 PolarHBondContact O-N 3.17Å
522H69.6Low79.8Confident50 Ų5054.7 Ų54.723%0.23127%0.271CS..G310 helixtrans-118.38.2-174.1-54.8-57.9000113.4V518 N519 H520 H525 F526V518-H522 HydrophobicContact CG1-CB 3.5Å; V518-H522 VanDerWaalsContact CG1-CB 3.5Å; N519-H522 PolarHBondContact O-N 3.27Å; H520-H522 PolarHBondContact O-N 3.28Å; H522-H525 PolarHBondContact O-N 2.98Å; H522-F526 PolarHBondContact O-N 3.46Å
523R72.5Confident80.1Confident75 Ų7555.5 Ų55.528%0.28327%0.27SS..Hα-helixtrans-62-44.8-178.5-76179.7178.3173.4-0112.8L515 N519 H520 H525 F526 T527L515-R523 HydrophobicContact CD2-CB 4.36Å; L515-R523 PolarHBondContact O-NE 2.96Å; N519-R523 PolarHBondContact O-N 2.95Å; H520-R523 PolarHBondContact CD2-NH1 2.82Å; R523-H525 VanDerWaalsContact C-N 3.32Å; R523-H525 PolarHBondContact O-N 2.92Å; R523-F526 WeakPolarHBondContact O-CB 3.37Å; R523-F526 PolarHBondContact O-N 3.42Å; R523-F526 VanDerWaalsContact O-N 3.16Å; R523-T527 PolarHBondContact O-N 3.2Å; R523-T527 PolarHBondContact O-OG1 3Å
524D70.4Confident80.3Confident125 Ų12556.5 Ų56.567%0.66828%0.275SS*.Hα-helixtrans-65.3-40.4-178.1-55.9-22.9000111.3F526 T527 C528D524-F526 PolarHBondContact O-N 3.3Å; D524-T527 PolarHBondContact O-N 2.83Å; D524-C528 WeakPolarHBondContact O-CB 3.45Å; D524-C528 PolarHBondContact O-N 3.3Å; D524-C528 PolarHBondContact O-SG 3.47Å; D524-C528 VanDerWaalsContact O-SG 3.37Å
525H76.4Confident80.6Confident57 Ų5758 Ų5826%0.26428%0.28SS..Hα-helixtrans-60.8-44.4173.4-65.292.2000111.7F294 I297 H522 R523 F529F294-H525 AromaticContact CD2-CD2 3.87Å; I297-H525 HydrophobicContact CG2-CB 3.95Å; H522-H525 PolarHBondContact O-N 2.98Å; R523-H525 VanDerWaalsContact C-N 3.32Å; R523-H525 PolarHBondContact O-N 2.92Å; H525-F529 WeakPolarHBondContact O-CB 3.36Å; H525-F529 PolarHBondContact O-N 3.01Å
526F82.8Confident81.1Confident4 Ų459.1 Ų59.12%0.01829%0.285CS..Hα-helixtrans-62.7-45.6176169.4-97.3000112.2L301 C307 V310 I311 L515 V518 H522 R523 D524 F529 G530L301-F526 HydrophobicContact CD1-CB 4.25Å; L301-F526 HydrophobicContact CD2-CB 4.29Å; L301-F526 HydrophobicContact CD2-CD2 4.16Å; C307-F526 HydrophobicContact CB-CE2 4.13Å; V310-F526 HydrophobicContact CG1-CZ 4.46Å; I311-F526 HydrophobicContact CD1-CD2 3.94Å; I311-F526 HydrophobicContact CD1-CE2 3.55Å; I311-F526 HydrophobicContact CD1-CZ 4.4Å; I311-F526 HydrophobicContact CG1-CD2 4.44Å; I311-F526 HydrophobicContact CG1-CE2 3.63Å; I311-F526 HydrophobicContact CG1-CZ 4.03Å; L515-F526 HydrophobicContact CD2-CD1 4.45Å; V518-F526 HydrophobicContact CB-CB 4.4Å; V518-F526 HydrophobicContact CG1-CB 4.36Å; V518-F526 HydrophobicContact CG2-CB 4Å; V518-F526 HydrophobicContact CG2-CD2 3.75Å; V518-F526 HydrophobicContact CG2-CE2 4.35Å; V518-F526 HydrophobicContact CG2-CG 3.83Å; H522-F526 PolarHBondContact O-N 3.46Å; R523-F526 WeakPolarHBondContact O-CB 3.37Å; R523-F526 PolarHBondContact O-N 3.42Å; R523-F526 VanDerWaalsContact O-N 3.16Å; D524-F526 PolarHBondContact O-N 3.3Å; F526-F529 PolarHBondContact O-N 3.34Å; F526-G530 PolarHBondContact O-N 2.81Å
527T82.3Confident81.7Confident44 Ų4460.5 Ų60.527%0.2730%0.296SS..Hα-helixtrans-61.7-51.3178.3-62.70000110.9L515 R523 D524 F529 G530 W531L515-T527 VanDerWaalsContact CD2-OG1 3.27Å; L515-T527 WeakPolarHBondContact CD2-OG1 3.38Å; R523-T527 PolarHBondContact O-N 3.2Å; R523-T527 PolarHBondContact O-OG1 3Å; D524-T527 PolarHBondContact O-N 2.83Å; T527-F529 PolarHBondContact O-N 3Å; T527-G530 PolarHBondContact O-N 3Å; T527-W531 VanDerWaalsContact CG2-CD1 3.44Å; T527-W531 PolarHBondContact O-N 3.39Å
528C80.8Confident82.3Confident86 Ų8659.5 Ų59.558%0.58129%0.291SS*.Hα-helixtrans-58.6-45.6178-71.80000112.4D524 W531 L532D524-C528 WeakPolarHBondContact O-CB 3.45Å; D524-C528 PolarHBondContact O-N 3.3Å; D524-C528 PolarHBondContact O-SG 3.47Å; D524-C528 VanDerWaalsContact O-SG 3.37Å; C528-W531 PolarHBondContact O-N 3.07Å; C528-L532 WeakPolarHBondContact O-CB 3.37Å; C528-L532 PolarHBondContact O-N 2.87Å
529F84.8Confident82.8Confident17 Ų1759.9 Ų59.98%0.07529%0.294CS..Hα-helixtrans-62.6-43.6177.5179.3-107.3000111.9I298 L301 F302 M308 I311 H525 F526 T527 L532 W533I298-F529 HydrophobicContact CG1-CD2 4.4Å; I298-F529 HydrophobicContact CG2-CD2 4.2Å; I298-F529 HydrophobicContact CG2-CE2 3.9Å; L301-F529 HydrophobicContact CD1-CB 4.42Å; L301-F529 HydrophobicContact CD1-CD1 4.35Å; F302-F529 HydrophobicContact CD1-CZ 4.37Å; F302-F529 HydrophobicContact CD2-CE2 4.16Å; F302-F529 AromaticContact CD2-CZ 3.73Å; F302-F529 HydrophobicContact CD2-CZ 3.73Å; F302-F529 AromaticContact CE1-CZ 3.98Å; F302-F529 HydrophobicContact CE1-CZ 3.98Å; F302-F529 HydrophobicContact CE2-CE1 4.45Å; F302-F529 AromaticContact CE2-CE2 3.45Å; F302-F529 HydrophobicContact CE2-CE2 3.45Å; F302-F529 VanDerWaalsContact CE2-CE2 3.45Å; F302-F529 AromaticContact CE2-CZ 3.27Å; F302-F529 HydrophobicContact CE2-CZ 3.27Å; F302-F529 HydrophobicContact CG-CZ 4.27Å; F302-F529 AromaticContact CZ-CE2 3.84Å; F302-F529 HydrophobicContact CZ-CE2 3.84Å; F302-F529 AromaticContact CZ-CZ 3.43Å; F302-F529 HydrophobicContact CZ-CZ 3.43Å; F302-F529 VanDerWaalsContact CZ-CZ 3.43Å; M308-F529 HydrophobicContact SD-CE1 4.03Å; I311-F529 HydrophobicContact CD1-CD1 3.61Å; I311-F529 HydrophobicContact CD1-CE1 3.77Å; H525-F529 WeakPolarHBondContact O-CB 3.36Å; H525-F529 PolarHBondContact O-N 3.01Å; F526-F529 PolarHBondContact O-N 3.34Å; T527-F529 PolarHBondContact O-N 3Å; F529-L532 PolarHBondContact O-N 2.99Å; F529-W533 AromaticContact CE1-CD1 3.96Å; F529-W533 AromaticContact CE1-NE1 3.79Å; F529-W533 AromaticContact CE2-CD1 3.68Å; F529-W533 AromaticContact CE2-NE1 3.26Å; F529-W533 VanDerWaalsContact CE2-NE1 3.26Å; F529-W533 AromaticContact CZ-CD1 3.61Å; F529-W533 AromaticContact CZ-CE2 3.87Å; F529-W533 HydrophobicContact CZ-CZ2 4.48Å; F529-W533 AromaticContact CZ-NE1 3.05Å; F529-W533 PolarHBondContact O-N 3.4Å; F529-W533 VanDerWaalsContact O-N 3.1Å
530G88.2Confident83.8Confident4 Ų456.1 Ų56.14%0.04127%0.273CS..Hα-helixtrans-62-45175.300000113.1F526 T527 L532 W533 M534F526-G530 PolarHBondContact O-N 2.81Å; T527-G530 PolarHBondContact O-N 3Å; G530-L532 VanDerWaalsContact C-N 3.32Å; G530-L532 PolarHBondContact O-N 3.26Å; G530-W533 PolarHBondContact O-N 3.1Å; G530-M534 WeakPolarHBondContact O-CG 3.48Å; G530-M534 PolarHBondContact O-N 3.37Å
531W85.3Confident85.1Confident126 Ų12651.5 Ų51.548%0.47726%0.255SS..Hα-helixtrans-62.9-37.4176.5-80.3106.6000113.1T527 C528 M534 R535T527-W531 VanDerWaalsContact CG2-CD1 3.44Å; T527-W531 PolarHBondContact O-N 3.39Å; C528-W531 PolarHBondContact O-N 3.07Å; W531-M534 HydrophobicContact CB-CE 4.27Å; W531-M534 HydrophobicContact CD2-CE 3.47Å; W531-M534 VanDerWaalsContact CD2-CE 3.47Å; W531-M534 HydrophobicContact CE3-CE 3.62Å; W531-M534 HydrophobicContact CG-CE 3.78Å; W531-M534 HydrophobicContact CZ2-CE 4.44Å; W531-M534 HydrophobicContact CZ3-CE 4.17Å; W531-M534 PolarHBondContact O-N 3.28Å; W531-R535 WeakPolarHBondContact O-CG 3.42Å; W531-R535 PolarHBondContact O-N 3.44Å
532L88.1Confident86.4Confident56 Ų5647.6 Ų47.629%0.29324%0.238SC..Hα-helixtrans-63.8-44.2175.4-175.5144.7000111C528 F529 G530 R535 I536C528-L532 WeakPolarHBondContact O-CB 3.37Å; C528-L532 PolarHBondContact O-N 2.87Å; F529-L532 PolarHBondContact O-N 2.99Å; G530-L532 VanDerWaalsContact C-N 3.32Å; G530-L532 PolarHBondContact O-N 3.26Å; L532-R535 PolarHBondContact O-N 2.69Å; L532-I536 HydrophobicContact CD2-CD1 3.51Å; L532-I536 HydrophobicContact CG-CD1 3.88Å; L532-I536 WeakPolarHBondContact O-CG1 3.45Å; L532-I536 PolarHBondContact O-N 3.27Å
533W91.6Very high87.5Confident49 Ų4945.2 Ų45.219%0.18623%0.227CC..Hα-helixtrans-61-47.9173.4-88.666.8000112.5F302 M308 I311 L312 F529 G530 R535 I536 L537F302-W533 HydrophobicContact CE1-CH2 4.21Å; F302-W533 AromaticContact CE1-CZ2 3.46Å; F302-W533 HydrophobicContact CE1-CZ2 3.46Å; F302-W533 VanDerWaalsContact CE1-CZ2 3.46Å; F302-W533 AromaticContact CZ-CZ2 3.62Å; F302-W533 HydrophobicContact CZ-CZ2 3.62Å; M308-W533 HydrophobicContact CE-CH2 4.03Å; M308-W533 HydrophobicContact CE-CZ2 4.12Å; M308-W533 HydrophobicContact CE-CZ3 4.36Å; I311-W533 HydrophobicContact CG2-CB 3.73Å; I311-W533 HydrophobicContact CG2-CD2 4.21Å; I311-W533 HydrophobicContact CG2-CE3 4.39Å; I311-W533 HydrophobicContact CG2-CG 3.92Å; L312-W533 HydrophobicContact CD2-CE3 4.07Å; L312-W533 HydrophobicContact CD2-CZ3 3.58Å; F529-W533 AromaticContact CE1-CD1 3.96Å; F529-W533 AromaticContact CE1-NE1 3.79Å; F529-W533 AromaticContact CE2-CD1 3.68Å; F529-W533 AromaticContact CE2-NE1 3.26Å; F529-W533 VanDerWaalsContact CE2-NE1 3.26Å; F529-W533 AromaticContact CZ-CD1 3.61Å; F529-W533 AromaticContact CZ-CE2 3.87Å; F529-W533 HydrophobicContact CZ-CZ2 4.48Å; F529-W533 AromaticContact CZ-NE1 3.05Å; F529-W533 PolarHBondContact O-N 3.4Å; F529-W533 VanDerWaalsContact O-N 3.1Å; G530-W533 PolarHBondContact O-N 3.1Å; W533-R535 VanDerWaalsContact C-N 3.28Å; W533-R535 PolarHBondContact O-N 2.94Å; W533-I536 PolarHBondContact O-N 3.27Å; W533-L537 HydrophobicContact CD2-CD1 4.2Å; W533-L537 HydrophobicContact CE3-CD1 3.52Å; W533-L537 HydrophobicContact CH2-CD1 4.13Å; W533-L537 HydrophobicContact CZ3-CD1 3.47Å; W533-L537 VanDerWaalsContact CZ3-CD1 3.47Å; W533-L537 PolarHBondContact O-N 2.98Å
534M91.5Very high88.6Confident21 Ų2144.3 Ų44.310%0.10323%0.227CC..Iπ-helixtrans-58-38.6178.2-73.7-172.3-69.800112.2Q314 A318 G530 W531 G538 S539Q314-M534 HydrophobicContact CB-CG 4.21Å; Q314-M534 HydrophobicContact CB-SD 3.78Å; A318-M534 HydrophobicContact CB-CB 4.15Å; A318-M534 HydrophobicContact CB-CG 4.27Å; G530-M534 WeakPolarHBondContact O-CG 3.48Å; G530-M534 PolarHBondContact O-N 3.37Å; W531-M534 HydrophobicContact CB-CE 4.27Å; W531-M534 HydrophobicContact CD2-CE 3.47Å; W531-M534 VanDerWaalsContact CD2-CE 3.47Å; W531-M534 HydrophobicContact CE3-CE 3.62Å; W531-M534 HydrophobicContact CG-CE 3.78Å; W531-M534 HydrophobicContact CZ2-CE 4.44Å; W531-M534 HydrophobicContact CZ3-CE 4.17Å; W531-M534 PolarHBondContact O-N 3.28Å; M534-G538 CarbonylContact O-C 3.38Å; M534-G538 WeakPolarHBondContact O-CA 3.2Å; M534-G538 PolarHBondContact O-N 3.13Å; M534-S539 PolarHBondContact O-N 3.08Å
535R91.4Very high89.8Confident35 Ų3540.7 Ų40.713%0.13221%0.21CC..Iπ-helixtrans-73.5-50178.3-72.9179.4-176.8-107.311.1112.7D73 V76 W531 L532 W533 I540D73-R535 IonicContact OD1-CZ 2.6Å; D73-R535 IonicContact OD1-NH1 3.93Å; D73-R535 PolarHBondContact OD1-NH1 2.67Å; V76-R535 VanDerWaalsContact CB-NH1 3.29Å; W531-R535 WeakPolarHBondContact O-CG 3.42Å; W531-R535 PolarHBondContact O-N 3.44Å; L532-R535 PolarHBondContact O-N 2.69Å; W533-R535 VanDerWaalsContact C-N 3.28Å; W533-R535 PolarHBondContact O-N 2.94Å; R535-I540 WeakPolarHBondContact O-CG1 3.28Å; R535-I540 PolarHBondContact O-N 3.35Å; R535-I540 VanDerWaalsContact O-N 3.1Å
536I93.2Very high90.7Very high77 Ų7738 Ų3840%0.39520%0.197SC..Iπ-helixtrans-68-46.9-173.7-65.4175.7000111.5T77 L532 W533 P541T77-I536 HydrophobicContact CG2-CD1 3.83Å; T77-I536 HydrophobicContact CG2-CG1 3.67Å; L532-I536 HydrophobicContact CD2-CD1 3.51Å; L532-I536 HydrophobicContact CG-CD1 3.88Å; L532-I536 WeakPolarHBondContact O-CG1 3.45Å; L532-I536 PolarHBondContact O-N 3.27Å; W533-I536 PolarHBondContact O-N 3.27Å; I536-P541 VanDerWaalsContact O-CD 3.3Å; I536-P541 WeakPolarHBondContact O-CD 3.47Å
537L94.6Very high91.3Very high88 Ų8837.8 Ų37.846%0.46120%0.196SC..Iπ-helixtrans-105.8-10.8-172-63178.2000113.2T315 W533 P541T315-L537 HydrophobicContact CG2-CB 3.56Å; W533-L537 HydrophobicContact CD2-CD1 4.2Å; W533-L537 HydrophobicContact CE3-CD1 3.52Å; W533-L537 HydrophobicContact CH2-CD1 4.13Å; W533-L537 HydrophobicContact CZ3-CD1 3.47Å; W533-L537 VanDerWaalsContact CZ3-CD1 3.47Å; W533-L537 PolarHBondContact O-N 2.98Å; L537-P541 WeakPolarHBondContact O-CG 3.34Å
538G94.1Very high91.9Very high0 Ų042.6 Ų42.60%021%0.21CC..Iπ-helixtrans-106.2-78.5177.200000111.8T315 M319 M534 I540 P541 G542T315-G538 WeakPolarHBondContact O-CA 3.38Å; M319-G538 VanDerWaalsContact CA-O 3.29Å; M319-G538 WeakPolarHBondContact CA-O 3.48Å; M534-G538 CarbonylContact O-C 3.38Å; M534-G538 WeakPolarHBondContact O-CA 3.2Å; M534-G538 PolarHBondContact O-N 3.13Å; G538-I540 PolarHBondContact O-N 3.33Å; G538-P541 WeakPolarHBondContact O-CD 3.4Å; G538-P541 WeakPolarHBondContact O-CG 3.32Å; G538-G542 WeakPolarHBondContact O-CA 3.34Å; G538-G542 PolarHBondContact O-N 3.32Å
539S92.1Very high92.6Very high18 Ų1839.6 Ų39.613%0.12619%0.189CC..Iπ-helixtrans-58.6-52.3-169.9-57.10000113.5D73 N322 M534 G542 A543D73-S539 WeakPolarHBondContact OD2-CB 3.44Å; N322-S539 PolarHBondContact ND2-O 2.74Å; M534-S539 PolarHBondContact O-N 3.08Å; S539-G542 PolarHBondContact O-N 3.48Å; S539-A543 PolarHBondContact O-N 2.87Å
540I94.6Very high93Very high31 Ų3138.9 Ų38.916%0.15919%0.185CC..Hα-helixtrans-59.2-56.6-177.5-67.7165.1000111.6A70 D73 V74 R535 G538 G542 I544A70-I540 HydrophobicContact CB-CG2 4.31Å; D73-I540 HydrophobicContact CB-CD1 4.36Å; D73-I540 HydrophobicContact CB-CG1 3.79Å; V74-I540 HydrophobicContact CB-CD1 4.37Å; V74-I540 HydrophobicContact CG2-CD1 3.65Å; V74-I540 HydrophobicContact CG2-CG1 4.01Å; V74-I540 HydrophobicContact CG2-CG2 4.27Å; R535-I540 WeakPolarHBondContact O-CG1 3.28Å; R535-I540 PolarHBondContact O-N 3.35Å; R535-I540 VanDerWaalsContact O-N 3.1Å; G538-I540 PolarHBondContact O-N 3.33Å; I540-G542 VanDerWaalsContact C-N 3.27Å; I540-G542 PolarHBondContact O-N 3.33Å; I540-I544 HydrophobicContact CG2-CD1 4.28Å; I540-I544 WeakPolarHBondContact O-CG1 3.47Å
541P95.4Very high93.2Very high37 Ų3739.3 Ų39.324%0.2419%0.187CC..Hα-helixtrans-66.9-28.817825-33.2000112.5I536 L537 G538 A543 I544 V545I536-P541 VanDerWaalsContact O-CD 3.3Å; I536-P541 WeakPolarHBondContact O-CD 3.47Å; L537-P541 WeakPolarHBondContact O-CG 3.34Å; G538-P541 WeakPolarHBondContact O-CD 3.4Å; G538-P541 WeakPolarHBondContact O-CG 3.32Å; P541-A543 PolarHBondContact O-N 3.05Å; P541-I544 PolarHBondContact O-N 3Å; P541-V545 WeakPolarHBondContact O-CB 3.32Å; P541-V545 VanDerWaalsContact O-CG2 3.23Å; P541-V545 WeakPolarHBondContact O-CG2 3.14Å; P541-V545 PolarHBondContact O-N 3.34Å
542G94.4Very high93.6Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-56.8-49.9179.800000113.5M319 G538 S539 I540 F546M319-G542 VanDerWaalsContact CG-CA 3.45Å; M319-G542 WeakPolarHBondContact O-CA 3.01Å; G538-G542 WeakPolarHBondContact O-CA 3.34Å; G538-G542 PolarHBondContact O-N 3.32Å; S539-G542 PolarHBondContact O-N 3.48Å; I540-G542 VanDerWaalsContact C-N 3.27Å; I540-G542 PolarHBondContact O-N 3.33Å; G542-F546 WeakPolarHBondContact O-CD2 3.05Å; G542-F546 PolarHBondContact O-N 3.47Å; G542-F546 VanDerWaalsContact O-N 3.14Å
543A93.6Very high93.8Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-65.7-40.5177.500000112A69 A70 T326 F327 S539 P541 G547A69-A543 HydrophobicContact CB-CB 4.49Å; A70-A543 HydrophobicContact CB-CB 4.36Å; T326-A543 HydrophobicContact CG2-CB 4.36Å; F327-A543 VanDerWaalsContact CE2-O 3.28Å; F327-A543 WeakPolarHBondContact CE2-O 3.25Å; S539-A543 PolarHBondContact O-N 2.87Å; P541-A543 PolarHBondContact O-N 3.05Å; A543-G547 PolarHBondContact O-N 3.4Å
544I95.4Very high93.7Very high56 Ų5634.6 Ų34.629%0.28718%0.179SC..Hα-helixtrans-67.8-44.3-178.4-59.9171.2000111.2T63 I67 A70 I540 P541 G547 Y548T63-I544 HydrophobicContact CG2-CG2 4.23Å; I67-I544 HydrophobicContact CG1-CD1 4.27Å; I67-I544 HydrophobicContact CG1-CG1 4.08Å; A70-I544 HydrophobicContact CB-CD1 4.45Å; A70-I544 HydrophobicContact CB-CG1 4.31Å; I540-I544 HydrophobicContact CG2-CD1 4.28Å; I540-I544 WeakPolarHBondContact O-CG1 3.47Å; P541-I544 PolarHBondContact O-N 3Å; I544-G547 PolarHBondContact O-N 3.4Å; I544-Y548 WeakPolarHBondContact O-CB 3.45Å; I544-Y548 PolarHBondContact O-N 2.93Å
545V95.9Very high93.6Very high49 Ų4936.7 Ų36.730%0.29719%0.19SC..Hα-helixtrans-63.8-42.6178.8169.90000111P541 Y548 I549 F581P541-V545 WeakPolarHBondContact O-CB 3.32Å; P541-V545 VanDerWaalsContact O-CG2 3.23Å; P541-V545 WeakPolarHBondContact O-CG2 3.14Å; P541-V545 PolarHBondContact O-N 3.34Å; V545-Y548 PolarHBondContact O-N 3.5Å; V545-I549 HydrophobicContact CG1-CD1 3.94Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 WeakPolarHBondContact O-CG1 3.35Å; V545-I549 PolarHBondContact O-N 3.13Å; V545-F581 HydrophobicContact CG1-CE2 4.14Å; V545-F581 HydrophobicContact CG1-CZ 4.21Å
546F95.1Very high93.3Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-63.6-42.8176-86.4-122000111.6G323 Y324 F327 G542 Y548 I549 I550 F578 F581G323-F546 WeakPolarHBondContact O-CD1 3.47Å; Y324-F546 AromaticContact CD1-CE1 3.93Å; Y324-F546 HydrophobicContact CD1-CE1 3.93Å; Y324-F546 HydrophobicContact CD2-CE1 4.35Å; Y324-F546 HydrophobicContact CD2-CZ 4.26Å; Y324-F546 HydrophobicContact CE1-CE1 4.01Å; Y324-F546 HydrophobicContact CE2-CE1 4.43Å; Y324-F546 HydrophobicContact CE2-CZ 4.23Å; Y324-F546 HydrophobicContact CG-CE1 4.07Å; Y324-F546 HydrophobicContact CG-CZ 4.41Å; F327-F546 HydrophobicContact CD2-CB 3.63Å; F327-F546 HydrophobicContact CE2-CB 4Å; G542-F546 WeakPolarHBondContact O-CD2 3.05Å; G542-F546 PolarHBondContact O-N 3.47Å; G542-F546 VanDerWaalsContact O-N 3.14Å; F546-Y548 VanDerWaalsContact C-N 3.33Å; F546-Y548 PolarHBondContact O-N 2.86Å; F546-I549 PolarHBondContact O-N 3.5Å; F546-I550 WeakPolarHBondContact O-CD1 3.42Å; F546-I550 VanDerWaalsContact O-CG1 3.3Å; F546-I550 WeakPolarHBondContact O-CG1 3.4Å; F546-I550 PolarHBondContact O-N 3.27Å; F546-I550 VanDerWaalsContact O-N 3.11Å; F546-F578 HydrophobicContact CB-CE1 4.24Å; F546-F578 AromaticContact CD1-CD1 3.9Å; F546-F578 HydrophobicContact CD1-CD1 3.9Å; F546-F578 AromaticContact CD1-CE1 3.19Å; F546-F578 HydrophobicContact CD1-CE1 3.19Å; F546-F578 AromaticContact CD1-CZ 3.96Å; F546-F578 HydrophobicContact CD1-CZ 3.96Å; F546-F578 HydrophobicContact CD2-CE1 4.41Å; F546-F578 AromaticContact CE1-CD1 3.68Å; F546-F578 HydrophobicContact CE1-CD1 3.68Å; F546-F578 AromaticContact CE1-CE1 3.5Å; F546-F578 HydrophobicContact CE1-CE1 3.5Å; F546-F578 VanDerWaalsContact CE1-CE1 3.5Å; F546-F578 AromaticContact CG-CE1 3.7Å; F546-F578 HydrophobicContact CG-CE1 3.7Å; F546-F578 HydrophobicContact CG-CZ 4.48Å; F546-F578 HydrophobicContact CZ-CD1 4.25Å; F546-F578 HydrophobicContact CZ-CE1 4.26Å; F546-F581 HydrophobicContact CD2-CE1 4.39Å; F546-F581 AromaticContact CE2-CD1 3.93Å; F546-F581 HydrophobicContact CE2-CD1 3.93Å; F546-F581 AromaticContact CE2-CE1 3.51Å; F546-F581 HydrophobicContact CE2-CE1 3.51Å; F546-F581 HydrophobicContact CE2-CZ 4.39Å; F546-F581 HydrophobicContact CZ-CD1 4.2Å; F546-F581 HydrophobicContact CZ-CE1 4.15Å
547G94.3Very high92.8Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-57.9-45.6173.200000112.1S62 A543 I544 I550 D551S62-G547 WeakPolarHBondContact CB-O 3.27Å; S62-G547 WeakPolarHBondContact O-CA 3.36Å; A543-G547 PolarHBondContact O-N 3.4Å; I544-G547 PolarHBondContact O-N 3.4Å; G547-I550 PolarHBondContact O-N 2.77Å; G547-D551 PolarHBondContact O-N 3.31Å
548Y95.1Very high92.1Very high144 Ų14433.1 Ų33.157%0.56517%0.166SC*.Hα-helixtrans-62.9-44.3177.7179.1-102.7000113T63 I544 V545 F546 I550 D551 V552T63-Y548 WeakPolarHBondContact OG1-CA 2.9Å; T63-Y548 PolarHBondContact OG1-N 2.99Å; I544-Y548 WeakPolarHBondContact O-CB 3.45Å; I544-Y548 PolarHBondContact O-N 2.93Å; V545-Y548 PolarHBondContact O-N 3.5Å; F546-Y548 VanDerWaalsContact C-N 3.33Å; F546-Y548 PolarHBondContact O-N 2.86Å; Y548-I550 PolarHBondContact O-N 2.93Å; Y548-D551 PolarHBondContact O-N 3.22Å; Y548-V552 HydrophobicContact CD1-CG2 4.1Å; Y548-V552 HydrophobicContact CD2-CG2 4.18Å; Y548-V552 HydrophobicContact CE1-CG2 3.61Å; Y548-V552 HydrophobicContact CE2-CG2 3.7Å; Y548-V552 HydrophobicContact CG-CG2 4.37Å; Y548-V552 WeakPolarHBondContact O-CG2 3.4Å; Y548-V552 PolarHBondContact O-N 2.74Å
549I95.3Very high90.9Very high24 Ų2439.5 Ų39.512%0.12319%0.194CC..Hα-helixtrans-57.7-40.5176-71168.2000110.5V545 F546 N553 L574 A577 F578 F581V545-I549 HydrophobicContact CG1-CD1 3.94Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 WeakPolarHBondContact O-CG1 3.35Å; V545-I549 PolarHBondContact O-N 3.13Å; F546-I549 PolarHBondContact O-N 3.5Å; I549-N553 PolarHBondContact O-N 3.28Å; I549-N553 PolarHBondContact O-ND2 3.01Å; I549-L574 HydrophobicContact CG2-CD1 4.26Å; I549-A577 HydrophobicContact CG2-CB 3.69Å; I549-F578 HydrophobicContact CB-CE1 4.39Å; I549-F578 HydrophobicContact CB-CZ 4.33Å; I549-F578 HydrophobicContact CD1-CE1 4.39Å; I549-F578 HydrophobicContact CG2-CE1 4.09Å; I549-F578 HydrophobicContact CG2-CE2 4.16Å; I549-F578 HydrophobicContact CG2-CZ 3.9Å; I549-F581 HydrophobicContact CD1-CD2 4.47Å; I549-F581 HydrophobicContact CD1-CG 4.43Å
550I93.9Very high89.7Confident1 Ų140.8 Ų40.81%0.00520%0.199CC..Hα-helixtrans-65-47.1177.5-65.7163.4000110.7S62 F327 F546 G547 Y548 V552 N553 Y569 L574 F578S62-I550 VanDerWaalsContact OG-CG2 3.23Å; S62-I550 WeakPolarHBondContact OG-CG2 3.28Å; F327-I550 HydrophobicContact CB-CD1 4.05Å; F327-I550 HydrophobicContact CD1-CD1 3.61Å; F327-I550 HydrophobicContact CD2-CD1 4.47Å; F327-I550 HydrophobicContact CE1-CD1 4.14Å; F327-I550 HydrophobicContact CG-CD1 3.78Å; F546-I550 WeakPolarHBondContact O-CD1 3.42Å; F546-I550 VanDerWaalsContact O-CG1 3.3Å; F546-I550 WeakPolarHBondContact O-CG1 3.4Å; F546-I550 PolarHBondContact O-N 3.27Å; F546-I550 VanDerWaalsContact O-N 3.11Å; G547-I550 PolarHBondContact O-N 2.77Å; Y548-I550 PolarHBondContact O-N 2.93Å; I550-V552 PolarHBondContact O-N 3.22Å; I550-N553 PolarHBondContact O-N 3.08Å; I550-Y569 HydrophobicContact CG2-CD1 3.82Å; I550-Y569 HydrophobicContact CG2-CE1 3.31Å; I550-Y569 WeakPolarHBondContact O-CD1 3.03Å; I550-Y569 WeakPolarHBondContact O-CE1 3.07Å; I550-L574 HydrophobicContact CB-CD1 4.42Å; I550-L574 HydrophobicContact CG1-CD1 4.02Å; I550-F578 HydrophobicContact CD1-CZ 4.26Å; I550-F578 HydrophobicContact CG1-CE2 4.1Å; I550-F578 HydrophobicContact CG1-CZ 3.81Å
551D93.3Very high88.2Confident14 Ų1443.2 Ų43.28%0.07522%0.218CC..Hα-helixtrans-65.2-39.3-177.9-71.6-24.2000113.1T61 S62 T63 G547 Y548 N553 C554 W557T61-D551 WeakPolarHBondContact CB-OD2 3.49Å; S62-D551 WeakPolarHBondContact CA-OD1 3.29Å; S62-D551 WeakPolarHBondContact CB-OD1 3.41Å; S62-D551 PolarHBondContact N-OD1 2.65Å; S62-D551 PolarHBondContact N-OD2 3.2Å; S62-D551 VanDerWaalsContact N-OD2 3.16Å; S62-D551 PolarHBondContact OG-OD1 3.42Å; T63-D551 VanDerWaalsContact CB-OD2 3.3Å; T63-D551 WeakPolarHBondContact CB-OD2 3.41Å; T63-D551 PolarHBondContact N-OD2 2.86Å; T63-D551 PolarHBondContact OG1-OD2 3.05Å; G547-D551 PolarHBondContact O-N 3.31Å; Y548-D551 PolarHBondContact O-N 3.22Å; D551-N553 PolarHBondContact O-N 3.11Å; D551-C554 WeakPolarHBondContact O-CB 3.47Å; D551-C554 PolarHBondContact O-N 2.82Å; D551-W557 HydrophobicContact CB-CH2 4.09Å; D551-W557 HydrophobicContact CB-CZ2 4.23Å
552V92.6Very high86.5Confident89 Ų8943.4 Ų43.454%0.53922%0.218SC..Hα-helixtrans-63.8-29.4177171.50000111.9Y548 I550 C554Y548-V552 HydrophobicContact CD1-CG2 4.1Å; Y548-V552 HydrophobicContact CD2-CG2 4.18Å; Y548-V552 HydrophobicContact CE1-CG2 3.61Å; Y548-V552 HydrophobicContact CE2-CG2 3.7Å; Y548-V552 HydrophobicContact CG-CG2 4.37Å; Y548-V552 WeakPolarHBondContact O-CG2 3.4Å; Y548-V552 PolarHBondContact O-N 2.74Å; I550-V552 PolarHBondContact O-N 3.22Å; V552-C554 PolarHBondContact O-N 2.95Å
553N92.1Very high85.2Confident23 Ų2344.4 Ų44.412%0.12323%0.225CC..THydrogen-bonded Turntrans-87.212177.1-73.3-72.1000113.2I549 I550 D551 N570 N573 L574I549-N553 PolarHBondContact O-N 3.28Å; I549-N553 PolarHBondContact O-ND2 3.01Å; I550-N553 PolarHBondContact O-N 3.08Å; D551-N553 PolarHBondContact O-N 3.11Å; N553-N570 PolarHBondContact O-N 3.29Å; N553-N573 WeakPolarHBondContact OD1-CB 2.96Å; N553-L574 HydrophobicContact CB-CB 4.3Å; N553-L574 HydrophobicContact CB-CD1 4.04Å
554C90.9Very high84.4Confident19 Ų1948.8 Ų48.813%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-68.4129.7173-172.20000111.7D551 V552 Y556 W557 C566 Y569D551-C554 WeakPolarHBondContact O-CB 3.47Å; D551-C554 PolarHBondContact O-N 2.82Å; V552-C554 PolarHBondContact O-N 2.95Å; C554-Y556 VanDerWaalsContact SG-C 3.53Å; C554-Y556 PolarHBondContact SG-O 2.84Å; C554-Y556 VanDerWaalsContact SG-O 3.34Å; C554-W557 HydrophobicContact CB-CD2 4.4Å; C554-W557 HydrophobicContact CB-CZ2 3.72Å; C554-W557 VanDerWaalsContact SG-CE2 3.55Å; C554-C566 WeakPolarHBondContact CA-SG 3.39Å; C554-C566 HydrophobicContact CB-CB 3.71Å; C554-C566 WeakPolarHBondContact CB-SG 3.29Å; C554-C566 VanDerWaalsContact SG-CA 3.57Å; C554-C566 WeakPolarHBondContact SG-CB 2.97Å; C554-C566 CovalentContact SG-SG 2.01Å; C554-C566 PolarHBondContact SG-SG 2.02Å; C554-Y569 HydrophobicContact CB-CD1 4.4Å; C554-Y569 HydrophobicContact CB-CE1 4.47Å
555M87.6Confident83.8Confident66 Ų6646.6 Ų46.633%0.32523%0.234SC..EExtended strand (participates in β ladder)trans-96.3-33.4173.2-63-172.272.100112.5V406 N407 F568 N570V406-M555 HydrophobicContact CG1-CB 3.71Å; V406-M555 HydrophobicContact CG1-CE 4.15Å; N407-M555 HydrophobicContact CB-CE 3.57Å; N407-M555 HydrophobicContact CB-SD 4.42Å; M555-F568 HydrophobicContact CB-CD1 4.04Å; M555-F568 PolarHBondContact N-O 3.33Å; M555-F568 HydrophobicContact SD-CD1 4.15Å; M555-F568 HydrophobicContact SD-CE1 3.94Å; M555-N570 HydrophobicContact CG-CB 3.73Å; M555-N570 HydrophobicContact SD-CB 3.67Å
556Y85.3Confident83.3Confident40 Ų4044.3 Ų44.316%0.15722%0.22CC..EExtended strand (participates in β ladder)trans-133.9114.2-179.9-176.1-99.1000111.8V406 S430 F432 L445 C554 Q558 Q567 F568V406-Y556 HydrophobicContact CG2-CD2 4.24Å; V406-Y556 HydrophobicContact CG2-CG 4.48Å; S430-Y556 PolarHBondContact O-OH 3.38Å; F432-Y556 HydrophobicContact CD2-CE1 4.46Å; L445-Y556 HydrophobicContact CD1-CD2 4.06Å; L445-Y556 HydrophobicContact CD1-CE2 3.68Å; L445-Y556 HydrophobicContact CD2-CD1 4.14Å; L445-Y556 HydrophobicContact CD2-CE1 4.25Å; L445-Y556 HydrophobicContact CD2-CG 4.27Å; C554-Y556 VanDerWaalsContact SG-C 3.53Å; C554-Y556 PolarHBondContact SG-O 2.84Å; C554-Y556 VanDerWaalsContact SG-O 3.34Å; Y556-Q558 HydrophobicContact CE1-CB 4.37Å; Y556-Q567 HydrophobicContact CD1-CB 4.31Å; Y556-Q567 PolarHBondContact O-N 3.27Å; Y556-F568 PolarHBondContact N-O 3.1Å
557W84.2Confident82.7Confident72 Ų7246.2 Ų46.227%0.27323%0.229SC..EExtended strand (participates in β ladder)trans-91.5114.4173.1-7295.9000109.6T61 D551 C554 K559 Q564 C566T61-W557 HydrophobicContact CG2-CH2 4.16Å; T61-W557 HydrophobicContact CG2-CZ3 3.93Å; D551-W557 HydrophobicContact CB-CH2 4.09Å; D551-W557 HydrophobicContact CB-CZ2 4.23Å; C554-W557 HydrophobicContact CB-CD2 4.4Å; C554-W557 HydrophobicContact CB-CZ2 3.72Å; C554-W557 VanDerWaalsContact SG-CE2 3.55Å; W557-K559 HydrophobicContact CB-CG 4.41Å; W557-K559 PolarHBondContact O-N 3.28Å; W557-Q564 HydrophobicContact CE3-CB 4Å; W557-Q564 HydrophobicContact CE3-CG 4Å; W557-Q564 HydrophobicContact CZ3-CG 4.11Å; W557-C566 HydrophobicContact CD2-CB 4.33Å; W557-C566 HydrophobicContact CE3-CB 4.05Å; W557-C566 HydrophobicContact CH2-CB 4.12Å; W557-C566 HydrophobicContact CZ2-CB 4.4Å; W557-C566 HydrophobicContact CZ3-CB 3.94Å
558Q78.4Confident82.2Confident13 Ų1347.4 Ų47.46%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-74.4109.9163.8177.7170.61.800107.7S430 Y556 Q564 K565 Q567S430-Q558 WeakPolarHBondContact O-CG 3.48Å; Y556-Q558 HydrophobicContact CE1-CB 4.37Å; Q558-Q564 WeakPolarHBondContact O-CA 3.29Å; Q558-K565 PolarHBondContact N-O 2.68Å; Q558-K565 PolarHBondContact O-N 3.12Å; Q558-Q567 HydrophobicContact CB-CG 3.71Å
559K70.3Confident81.9Confident134 Ų13441.7 Ų41.758%0.58321%0.212SC*.EExtended strand (participates in β ladder)trans-97.9118.2176.3-63.7178.3-177.5176.70108.3W557 Q564W557-K559 HydrophobicContact CB-CG 4.41Å; W557-K559 PolarHBondContact O-N 3.28Å; K559-Q564 HydrophobicContact CG-CB 4.39Å
560D66.1Low81.6Confident45 Ų4542.4 Ų42.424%0.24122%0.216CC..  trans-89.1166.5154.1-55.9-76.8000108K59 V562 S563K59-D560 WeakPolarHBondContact CD-OD2 3.47Å; K59-D560 VanDerWaalsContact CE-OD2 3.26Å; K59-D560 WeakPolarHBondContact CE-OD2 3.32Å; K59-D560 IonicContact NZ-OD1 3.23Å; K59-D560 PolarHBondContact NZ-OD1 3.42Å; K59-D560 IonicContact NZ-OD2 2.74Å; K59-D560 PolarHBondContact NZ-OD2 3.14Å; D560-V562 PolarHBondContact O-N 3.33Å; D560-S563 PolarHBondContact N-O 3.45Å
561C62.5Low81.4Confident81 Ų8143.2 Ų43.255%0.54722%0.223SC..SBendtrans-52.9-12178.9-54.70000114.6C139C139-C561 VanDerWaalsContact CA-SG 3.54Å; C139-C561 HydrophobicContact CB-CB 3.62Å; C139-C561 WeakPolarHBondContact CB-SG 3.25Å; C139-C561 WeakPolarHBondContact SG-CA 3.31Å; C139-C561 WeakPolarHBondContact SG-CB 3.5Å; C139-C561 CovalentContact SG-SG 2.03Å; C139-C561 PolarHBondContact SG-SG 3.09Å
562V60.8Low81.2Confident42 Ų4243.9 Ų43.926%0.25523%0.229SC..SBendtrans-133.6-36.7-165.51610000114D145 A149 D560D145-V562 HydrophobicContact CB-CB 4.19Å; D145-V562 HydrophobicContact CB-CG1 4.28Å; D145-V562 HydrophobicContact CB-CG2 3.2Å; D145-V562 WeakPolarHBondContact O-CG1 3.35Å; A149-V562 HydrophobicContact CB-CG1 3.86Å; D560-V562 PolarHBondContact O-N 3.33Å
563S66.2Low81.2Confident20 Ų2043.7 Ų43.714%0.1422%0.224CC..  trans-132.9153.8-176.9-157.70000110.2K59 D560K59-S563 PolarHBondContact O-OG 3.26Å; D560-S563 PolarHBondContact N-O 3.45Å
564Q76.3Confident81.2Confident92 Ų9242.6 Ų42.643%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-125.8131.1176.163.3-175.2-17.300109.8T61 W557 Q558 K559T61-Q564 HydrophobicContact CG2-CG 4.32Å; W557-Q564 HydrophobicContact CE3-CB 4Å; W557-Q564 HydrophobicContact CE3-CG 4Å; W557-Q564 HydrophobicContact CZ3-CG 4.11Å; Q558-Q564 WeakPolarHBondContact O-CA 3.29Å; K559-Q564 HydrophobicContact CG-CB 4.39Å
565K83Confident81.3Confident10 Ų1041.7 Ų41.74%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-127132.4175.3-171.2-155.5170.6-153.20109.1E55 K59 Q558 Q567E55-K565 WeakPolarHBondContact O-CD 3.37Å; K59-K565 HydrophobicContact CB-CB 4.15Å; Q558-K565 PolarHBondContact N-O 2.68Å; Q558-K565 PolarHBondContact O-N 3.12Å; K565-Q567 PolarHBondContact O-N 3.44Å
566C85.9Confident81.6Confident2 Ų243 Ų431%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-73.7125.7170.2-172.30000110.4C554 W557 F568 Y569C554-C566 WeakPolarHBondContact CA-SG 3.39Å; C554-C566 HydrophobicContact CB-CB 3.71Å; C554-C566 WeakPolarHBondContact CB-SG 3.29Å; C554-C566 VanDerWaalsContact SG-CA 3.57Å; C554-C566 WeakPolarHBondContact SG-CB 2.97Å; C554-C566 CovalentContact SG-SG 2.01Å; C554-C566 PolarHBondContact SG-SG 2.02Å; W557-C566 HydrophobicContact CD2-CB 4.33Å; W557-C566 HydrophobicContact CE3-CB 4.05Å; W557-C566 HydrophobicContact CH2-CB 4.12Å; W557-C566 HydrophobicContact CZ2-CB 4.4Å; W557-C566 HydrophobicContact CZ3-CB 3.94Å; C566-F568 PolarHBondContact SG-O 3.49Å; C566-F568 VanDerWaalsContact SG-O 3.38Å; C566-Y569 HydrophobicContact CB-CD1 4.4Å; C566-Y569 HydrophobicContact CB-CE1 3.58Å; C566-Y569 HydrophobicContact CB-CE2 4.26Å; C566-Y569 WeakPolarHBondContact CB-OH 3.03Å; C566-Y569 VanDerWaalsContact SG-CD1 3.54Å; C566-Y569 WeakPolarHBondContact SG-CE1 2.6Å; C566-Y569 VanDerWaalsContact SG-CZ 3.58Å
567Q82.3Confident82Confident40 Ų4042.6 Ų42.619%0.18722%0.219CC..EExtended strand (participates in β ladder)trans-102.6-30.6177.9-67.7-70.62000112.7F432 Y556 Q558 K565F432-Q567 HydrophobicContact CB-CB 4.46Å; F432-Q567 HydrophobicContact CB-CG 3.96Å; F432-Q567 HydrophobicContact CD1-CB 4.2Å; F432-Q567 HydrophobicContact CD1-CG 4.29Å; F432-Q567 HydrophobicContact CD2-CB 3.9Å; F432-Q567 HydrophobicContact CD2-CG 4.32Å; F432-Q567 HydrophobicContact CE1-CB 4.42Å; F432-Q567 HydrophobicContact CE2-CB 4.14Å; F432-Q567 HydrophobicContact CG-CB 3.93Å; F432-Q567 HydrophobicContact CG-CG 3.94Å; F432-Q567 HydrophobicContact CZ-CB 4.39Å; Y556-Q567 HydrophobicContact CD1-CB 4.31Å; Y556-Q567 PolarHBondContact O-N 3.27Å; Q558-Q567 HydrophobicContact CB-CG 3.71Å; K565-Q567 PolarHBondContact O-N 3.44Å
568F84.6Confident82.5Confident24 Ų2439.2 Ų39.211%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-131.3124.2-178.2-167.7-107.5000110.9L401 V403 V406 M555 Y556 C566L401-F568 HydrophobicContact CB-CE2 4.44Å; V403-F568 HydrophobicContact CG2-CD2 4.4Å; V403-F568 HydrophobicContact CG2-CE1 4.12Å; V403-F568 HydrophobicContact CG2-CE2 3.9Å; V403-F568 HydrophobicContact CG2-CZ 3.74Å; V406-F568 HydrophobicContact CG1-CD1 3.83Å; V406-F568 HydrophobicContact CG1-CE1 4.31Å; M555-F568 HydrophobicContact CB-CD1 4.04Å; M555-F568 PolarHBondContact N-O 3.33Å; M555-F568 HydrophobicContact SD-CD1 4.15Å; M555-F568 HydrophobicContact SD-CE1 3.94Å; Y556-F568 PolarHBondContact N-O 3.1Å; C566-F568 PolarHBondContact SG-O 3.49Å; C566-F568 VanDerWaalsContact SG-O 3.38Å
569Y88.1Confident83.3Confident24 Ų2439.9 Ų39.99%0.09421%0.209CC..EExtended strand (participates in β ladder)trans-111148.8-176.5-60.7-88.8000110.9S62 K330 T334 I550 C554 C566 A571S62-Y569 PolarHBondContact OG-OH 3.03Å; K330-Y569 PolarHBondContact NZ-OH 3.08Å; T334-Y569 HydrophobicContact CG2-CD2 4.38Å; T334-Y569 HydrophobicContact CG2-CG 4.38Å; I550-Y569 HydrophobicContact CG2-CD1 3.82Å; I550-Y569 HydrophobicContact CG2-CE1 3.31Å; I550-Y569 WeakPolarHBondContact O-CD1 3.03Å; I550-Y569 WeakPolarHBondContact O-CE1 3.07Å; C554-Y569 HydrophobicContact CB-CD1 4.4Å; C554-Y569 HydrophobicContact CB-CE1 4.47Å; C566-Y569 HydrophobicContact CB-CD1 4.4Å; C566-Y569 HydrophobicContact CB-CE1 3.58Å; C566-Y569 HydrophobicContact CB-CE2 4.26Å; C566-Y569 WeakPolarHBondContact CB-OH 3.03Å; C566-Y569 VanDerWaalsContact SG-CD1 3.54Å; C566-Y569 WeakPolarHBondContact SG-CE1 2.6Å; C566-Y569 VanDerWaalsContact SG-CZ 3.58Å; Y569-A571 PolarHBondContact O-N 3.34Å; Y569-A571 VanDerWaalsContact O-N 3.11Å
570N89.6Confident84.5Confident40 Ų4040 Ų4021%0.21421%0.207CC..  trans-77.396.7170.8-169.6-40.7000110N553 M555 S572 N573 L574N553-N570 PolarHBondContact O-N 3.29Å; M555-N570 HydrophobicContact CG-CB 3.73Å; M555-N570 HydrophobicContact SD-CB 3.67Å; N570-S572 PolarHBondContact O-N 2.01Å; N570-S572 WeakPolarHBondContact OD1-CB 3.42Å; N570-S572 PolarHBondContact OD1-N 3.33Å; N570-N573 HydrophobicContact CB-CB 4.29Å; N570-N573 PolarHBondContact O-N 3.39Å; N570-N573 PolarHBondContact OD1-N 3.09Å; N570-L574 WeakPolarHBondContact O-CB 3Å; N570-L574 PolarHBondContact O-N 2.71Å
571A88.4Confident85.9Confident17 Ų1740 Ų4014%0.1421%0.205CC..Hα-helixtrans-58.6-31.2-179.600000113.7L335 Y569 G575L335-A571 HydrophobicContact CD2-CB 4.4Å; Y569-A571 PolarHBondContact O-N 3.34Å; Y569-A571 VanDerWaalsContact O-N 3.11Å; A571-G575 PolarHBondContact O-N 3.28Å
572S89.9Confident87.4Confident29 Ų2936.2 Ų36.220%0.20318%0.179CC..Hα-helixtrans-69.3-54.9179.7-178.10000111.4R397 N570 L574 G575 W576R397-S572 PolarHBondContact NH2-OG 2.85Å; N570-S572 PolarHBondContact O-N 2.01Å; N570-S572 WeakPolarHBondContact OD1-CB 3.42Å; N570-S572 PolarHBondContact OD1-N 3.33Å; S572-L574 VanDerWaalsContact C-N 3.26Å; S572-L574 PolarHBondContact O-N 3.04Å; S572-G575 PolarHBondContact O-N 3.17Å; S572-W576 PolarHBondContact O-N 2.78Å; S572-W576 VanDerWaalsContact O-N 3.09Å
573N91.8Very high89.1Confident84 Ų8437.1 Ų37.145%0.44918%0.182SC..Hα-helixtrans-65.1-36-179.5-67.2-1.9000111N553 N570 W576 A577N553-N573 WeakPolarHBondContact OD1-CB 2.96Å; N570-N573 HydrophobicContact CB-CB 4.29Å; N570-N573 PolarHBondContact O-N 3.39Å; N570-N573 PolarHBondContact OD1-N 3.09Å; N573-W576 PolarHBondContact O-N 3.45Å; N573-A577 VanDerWaalsContact O-CB 3.31Å; N573-A577 WeakPolarHBondContact O-CB 3.1Å; N573-A577 PolarHBondContact O-N 3.48Å
574L92.1Very high90.5Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-60.9-48.8174.8-169.767.6000112.1L331 T334 I549 I550 N553 N570 S572 W576 A577 F578L331-L574 HydrophobicContact CD2-CD2 4.28Å; T334-L574 HydrophobicContact CG2-CD2 3.68Å; I549-L574 HydrophobicContact CG2-CD1 4.26Å; I550-L574 HydrophobicContact CB-CD1 4.42Å; I550-L574 HydrophobicContact CG1-CD1 4.02Å; N553-L574 HydrophobicContact CB-CB 4.3Å; N553-L574 HydrophobicContact CB-CD1 4.04Å; N570-L574 WeakPolarHBondContact O-CB 3Å; N570-L574 PolarHBondContact O-N 2.71Å; S572-L574 VanDerWaalsContact C-N 3.26Å; S572-L574 PolarHBondContact O-N 3.04Å; L574-W576 PolarHBondContact O-N 2.82Å; L574-A577 PolarHBondContact O-N 3.42Å; L574-F578 HydrophobicContact CD1-CD2 4.05Å; L574-F578 HydrophobicContact CD1-CE2 3.43Å; L574-F578 VanDerWaalsContact CD1-CE2 3.43Å; L574-F578 HydrophobicContact CD1-CZ 4.3Å; L574-F578 HydrophobicContact CD2-CE2 4.41Å; L574-F578 HydrophobicContact CG-CD2 3.97Å; L574-F578 HydrophobicContact CG-CE2 3.7Å; L574-F578 VanDerWaalsContact O-CD2 3.25Å; L574-F578 WeakPolarHBondContact O-CD2 3.23Å; L574-F578 PolarHBondContact O-N 3.24Å; L574-F578 VanDerWaalsContact O-N 3.09Å
575G93.3Very high91.4Very high1 Ų134.7 Ų34.71%0.0118%0.178CC..Hα-helixtrans-59.5-44.5177.500000112.5L394 A571 S572 F579L394-G575 VanDerWaalsContact O-CA 3.29Å; L394-G575 WeakPolarHBondContact O-CA 3.27Å; A571-G575 PolarHBondContact O-N 3.28Å; S572-G575 PolarHBondContact O-N 3.17Å; G575-F579 VanDerWaalsContact O-CB 3.27Å; G575-F579 WeakPolarHBondContact O-CB 3.43Å; G575-F579 PolarHBondContact O-N 3.04Å
576W94.4Very high92Very high94 Ų9435.1 Ų35.136%0.35618%0.18SC..Hα-helixtrans-63.5-43.4175-79.9113.7000112.9L395 S572 N573 L574 F578 F579 Y580L395-W576 HydrophobicContact CD1-CE3 4.27Å; L395-W576 HydrophobicContact CD1-CH2 3.84Å; L395-W576 HydrophobicContact CD1-CZ2 4.29Å; L395-W576 HydrophobicContact CD1-CZ3 3.82Å; L395-W576 HydrophobicContact CD2-CD2 3.57Å; L395-W576 HydrophobicContact CD2-CE3 3.6Å; L395-W576 HydrophobicContact CD2-CG 4Å; L395-W576 HydrophobicContact CD2-CH2 4.41Å; L395-W576 HydrophobicContact CD2-CZ2 4.38Å; L395-W576 HydrophobicContact CD2-CZ3 4.04Å; S572-W576 PolarHBondContact O-N 2.78Å; S572-W576 VanDerWaalsContact O-N 3.09Å; N573-W576 PolarHBondContact O-N 3.45Å; L574-W576 PolarHBondContact O-N 2.82Å; W576-F578 PolarHBondContact O-N 2.01Å; W576-F579 AromaticContact CE3-CD1 3.9Å; W576-F579 HydrophobicContact CE3-CD1 3.9Å; W576-F579 HydrophobicContact CE3-CE1 4.49Å; W576-F579 AromaticContact CZ3-CD1 3.86Å; W576-F579 HydrophobicContact CZ3-CD1 3.86Å; W576-F579 AromaticContact CZ3-CE1 3.99Å; W576-F579 HydrophobicContact CZ3-CE1 3.99Å; W576-F579 PolarHBondContact O-N 3.33Å; W576-Y580 HydrophobicContact CB-CD2 4.28Å; W576-Y580 HydrophobicContact CB-CE2 4.02Å; W576-Y580 HydrophobicContact CD2-CE2 4.17Å; W576-Y580 HydrophobicContact CE3-CD2 4.33Å; W576-Y580 AromaticContact CE3-CE1 3.91Å; W576-Y580 HydrophobicContact CE3-CE1 3.91Å; W576-Y580 AromaticContact CE3-CE2 3.56Å; W576-Y580 HydrophobicContact CE3-CE2 3.56Å; W576-Y580 AromaticContact CE3-CZ 3.31Å; W576-Y580 VanDerWaalsContact CE3-OH 3.28Å; W576-Y580 HydrophobicContact CG-CE2 4.4Å; W576-Y580 AromaticContact CZ3-CE1 3.99Å; W576-Y580 HydrophobicContact CZ3-CE1 3.99Å; W576-Y580 HydrophobicContact CZ3-CE2 4.35Å; W576-Y580 AromaticContact CZ3-CZ 3.64Å; W576-Y580 VanDerWaalsContact CZ3-OH 3.3Å; W576-Y580 WeakPolarHBondContact CZ3-OH 3.37Å; W576-Y580 WeakPolarHBondContact O-CB 3.38Å; W576-Y580 WeakPolarHBondContact O-CD2 3.18Å; W576-Y580 PolarHBondContact O-N 3.06Å
577A94.8Very high92.5Very high31 Ų3141.8 Ų41.826%0.25621%0.209SC..Hα-helixtrans-59.4-47.1179.300000111.5I549 N573 L574 F581I549-A577 HydrophobicContact CG2-CB 3.69Å; N573-A577 VanDerWaalsContact O-CB 3.31Å; N573-A577 WeakPolarHBondContact O-CB 3.1Å; N573-A577 PolarHBondContact O-N 3.48Å; L574-A577 PolarHBondContact O-N 3.42Å; A577-F581 WeakPolarHBondContact O-CB 3.48Å; A577-F581 PolarHBondContact O-N 3.39Å
578F94.3Very high93.2Very high1 Ų143.1 Ų43.10%0.00422%0.219CC..Hα-helixtrans-68.9-37177.2-74.8-60.8000113.6L331 L394 F546 I549 I550 L574 W576 T582L331-F578 HydrophobicContact CD1-CE2 4.37Å; L331-F578 HydrophobicContact CD2-CD2 3.73Å; L331-F578 HydrophobicContact CD2-CE2 3.18Å; L331-F578 HydrophobicContact CD2-CZ 3.82Å; L331-F578 HydrophobicContact CG-CE2 4.39Å; L394-F578 HydrophobicContact CD1-CB 3.97Å; F546-F578 HydrophobicContact CB-CE1 4.24Å; F546-F578 AromaticContact CD1-CD1 3.9Å; F546-F578 HydrophobicContact CD1-CD1 3.9Å; F546-F578 AromaticContact CD1-CE1 3.19Å; F546-F578 HydrophobicContact CD1-CE1 3.19Å; F546-F578 AromaticContact CD1-CZ 3.96Å; F546-F578 HydrophobicContact CD1-CZ 3.96Å; F546-F578 HydrophobicContact CD2-CE1 4.41Å; F546-F578 AromaticContact CE1-CD1 3.68Å; F546-F578 HydrophobicContact CE1-CD1 3.68Å; F546-F578 AromaticContact CE1-CE1 3.5Å; F546-F578 HydrophobicContact CE1-CE1 3.5Å; F546-F578 VanDerWaalsContact CE1-CE1 3.5Å; F546-F578 AromaticContact CG-CE1 3.7Å; F546-F578 HydrophobicContact CG-CE1 3.7Å; F546-F578 HydrophobicContact CG-CZ 4.48Å; F546-F578 HydrophobicContact CZ-CD1 4.25Å; F546-F578 HydrophobicContact CZ-CE1 4.26Å; I549-F578 HydrophobicContact CB-CE1 4.39Å; I549-F578 HydrophobicContact CB-CZ 4.33Å; I549-F578 HydrophobicContact CD1-CE1 4.39Å; I549-F578 HydrophobicContact CG2-CE1 4.09Å; I549-F578 HydrophobicContact CG2-CE2 4.16Å; I549-F578 HydrophobicContact CG2-CZ 3.9Å; I550-F578 HydrophobicContact CD1-CZ 4.26Å; I550-F578 HydrophobicContact CG1-CE2 4.1Å; I550-F578 HydrophobicContact CG1-CZ 3.81Å; L574-F578 HydrophobicContact CD1-CD2 4.05Å; L574-F578 HydrophobicContact CD1-CE2 3.43Å; L574-F578 VanDerWaalsContact CD1-CE2 3.43Å; L574-F578 HydrophobicContact CD1-CZ 4.3Å; L574-F578 HydrophobicContact CD2-CE2 4.41Å; L574-F578 HydrophobicContact CG-CD2 3.97Å; L574-F578 HydrophobicContact CG-CE2 3.7Å; L574-F578 VanDerWaalsContact O-CD2 3.25Å; L574-F578 WeakPolarHBondContact O-CD2 3.23Å; L574-F578 PolarHBondContact O-N 3.24Å; L574-F578 VanDerWaalsContact O-N 3.09Å; W576-F578 PolarHBondContact O-N 2.01Å; F578-T582 VanDerWaalsContact O-CB 3.29Å; F578-T582 WeakPolarHBondContact O-CB 3.12Å; F578-T582 PolarHBondContact O-N 2.76Å; F578-T582 PolarHBondContact O-OG1 2.99Å
579F95.4Very high93.7Very high27 Ų2742.2 Ų42.212%0.11822%0.217CC..Hα-helixtrans-61.9-51.2175.4177.3-112.8000111.5S391 S392 L395 G575 W576 F581 T582 I583S391-F579 WeakPolarHBondContact O-CD2 3.4Å; S391-F579 WeakPolarHBondContact OG-CD2 3.39Å; S391-F579 WeakPolarHBondContact OG-CE2 3.45Å; S392-F579 VanDerWaalsContact CA-CE2 3.49Å; L395-F579 HydrophobicContact CD1-CD1 3.97Å; L395-F579 HydrophobicContact CD1-CD2 4.45Å; L395-F579 HydrophobicContact CD1-CE1 3.99Å; L395-F579 HydrophobicContact CD1-CE2 4.48Å; L395-F579 HydrophobicContact CD1-CG 4.17Å; L395-F579 HydrophobicContact CD1-CZ 4.22Å; L395-F579 HydrophobicContact CD2-CB 3.77Å; L395-F579 HydrophobicContact CD2-CD1 4.1Å; L395-F579 HydrophobicContact CD2-CG 3.98Å; L395-F579 HydrophobicContact CG-CB 4.28Å; L395-F579 HydrophobicContact CG-CD1 4.32Å; L395-F579 HydrophobicContact CG-CD2 4.41Å; L395-F579 HydrophobicContact CG-CG 4.09Å; G575-F579 VanDerWaalsContact O-CB 3.27Å; G575-F579 WeakPolarHBondContact O-CB 3.43Å; G575-F579 PolarHBondContact O-N 3.04Å; W576-F579 AromaticContact CE3-CD1 3.9Å; W576-F579 HydrophobicContact CE3-CD1 3.9Å; W576-F579 HydrophobicContact CE3-CE1 4.49Å; W576-F579 AromaticContact CZ3-CD1 3.86Å; W576-F579 HydrophobicContact CZ3-CD1 3.86Å; W576-F579 AromaticContact CZ3-CE1 3.99Å; W576-F579 HydrophobicContact CZ3-CE1 3.99Å; W576-F579 PolarHBondContact O-N 3.33Å; F579-F581 PolarHBondContact O-N 3.25Å; F579-T582 PolarHBondContact O-N 3.32Å; F579-I583 HydrophobicContact CD1-CD1 3.91Å; F579-I583 HydrophobicContact CD2-CD1 4.13Å; F579-I583 HydrophobicContact CE1-CD1 3.37Å; F579-I583 HydrophobicContact CE2-CD1 3.61Å; F579-I583 HydrophobicContact CE2-CG1 4.25Å; F579-I583 HydrophobicContact CG-CD1 4.29Å; F579-I583 HydrophobicContact CZ-CD1 3.23Å; F579-I583 HydrophobicContact CZ-CG1 4.33Å; F579-I583 WeakPolarHBondContact O-CG1 3.41Å; F579-I583 PolarHBondContact O-N 3.36Å
580Y95.4Very high94.1Very high137 Ų13741.9 Ų41.954%0.53722%0.221SC..Hα-helixtrans-64.4-41178.2-68.6-46.2000112.3W576 T582 I583 A584W576-Y580 HydrophobicContact CB-CD2 4.28Å; W576-Y580 HydrophobicContact CB-CE2 4.02Å; W576-Y580 HydrophobicContact CD2-CE2 4.17Å; W576-Y580 HydrophobicContact CE3-CD2 4.33Å; W576-Y580 AromaticContact CE3-CE1 3.91Å; W576-Y580 HydrophobicContact CE3-CE1 3.91Å; W576-Y580 AromaticContact CE3-CE2 3.56Å; W576-Y580 HydrophobicContact CE3-CE2 3.56Å; W576-Y580 AromaticContact CE3-CZ 3.31Å; W576-Y580 VanDerWaalsContact CE3-OH 3.28Å; W576-Y580 HydrophobicContact CG-CE2 4.4Å; W576-Y580 AromaticContact CZ3-CE1 3.99Å; W576-Y580 HydrophobicContact CZ3-CE1 3.99Å; W576-Y580 HydrophobicContact CZ3-CE2 4.35Å; W576-Y580 AromaticContact CZ3-CZ 3.64Å; W576-Y580 VanDerWaalsContact CZ3-OH 3.3Å; W576-Y580 WeakPolarHBondContact CZ3-OH 3.37Å; W576-Y580 WeakPolarHBondContact O-CB 3.38Å; W576-Y580 WeakPolarHBondContact O-CD2 3.18Å; W576-Y580 PolarHBondContact O-N 3.06Å; Y580-T582 VanDerWaalsContact C-N 3.31Å; Y580-T582 PolarHBondContact O-N 3.28Å; Y580-I583 PolarHBondContact O-N 3.14Å; Y580-A584 WeakPolarHBondContact O-CB 3.29Å; Y580-A584 PolarHBondContact O-N 3.3Å
581F94.8Very high94.5Very high44 Ų4443.6 Ų43.619%0.19323%0.229CC..Hα-helixtrans-60.1-43.6175-174.9-100.2000111.4M319 V545 F546 I549 A577 F579 A584 V585M319-F581 HydrophobicContact CE-CE1 4.46Å; M319-F581 HydrophobicContact CE-CE2 4.39Å; M319-F581 HydrophobicContact CE-CZ 3.66Å; M319-F581 HydrophobicContact SD-CZ 4.22Å; V545-F581 HydrophobicContact CG1-CE2 4.14Å; V545-F581 HydrophobicContact CG1-CZ 4.21Å; F546-F581 HydrophobicContact CD2-CE1 4.39Å; F546-F581 AromaticContact CE2-CD1 3.93Å; F546-F581 HydrophobicContact CE2-CD1 3.93Å; F546-F581 AromaticContact CE2-CE1 3.51Å; F546-F581 HydrophobicContact CE2-CE1 3.51Å; F546-F581 HydrophobicContact CE2-CZ 4.39Å; F546-F581 HydrophobicContact CZ-CD1 4.2Å; F546-F581 HydrophobicContact CZ-CE1 4.15Å; I549-F581 HydrophobicContact CD1-CD2 4.47Å; I549-F581 HydrophobicContact CD1-CG 4.43Å; A577-F581 WeakPolarHBondContact O-CB 3.48Å; A577-F581 PolarHBondContact O-N 3.39Å; F579-F581 PolarHBondContact O-N 3.25Å; F581-A584 PolarHBondContact O-N 3.15Å; F581-V585 HydrophobicContact CD1-CG2 4.33Å; F581-V585 HydrophobicContact CE1-CG2 3.91Å; F581-V585 HydrophobicContact CE2-CG2 4.39Å; F581-V585 HydrophobicContact CZ-CG2 3.99Å; F581-V585 WeakPolarHBondContact O-CG2 3.34Å; F581-V585 PolarHBondContact O-N 3.3Å
582T94.9Very high94.9Very high2 Ų244.1 Ų44.11%0.01223%0.229CC..Hα-helixtrans-63.2-45.9176.9-62.30000112.1L320 Y324 F578 F579 Y580 A584 V585 K586L320-T582 HydrophobicContact CD1-CG2 3.97Å; Y324-T582 PolarHBondContact OH-OG1 3.32Å; F578-T582 VanDerWaalsContact O-CB 3.29Å; F578-T582 WeakPolarHBondContact O-CB 3.12Å; F578-T582 PolarHBondContact O-N 2.76Å; F578-T582 PolarHBondContact O-OG1 2.99Å; F579-T582 PolarHBondContact O-N 3.32Å; Y580-T582 VanDerWaalsContact C-N 3.31Å; Y580-T582 PolarHBondContact O-N 3.28Å; T582-A584 PolarHBondContact O-N 3.24Å; T582-V585 PolarHBondContact O-N 2.92Å; T582-K586 HydrophobicContact CG2-CG 4.24Å; T582-K586 WeakPolarHBondContact O-CB 3.18Å; T582-K586 VanDerWaalsContact O-CG 3.24Å; T582-K586 WeakPolarHBondContact O-CG 3.44Å; T582-K586 PolarHBondContact O-N 3.37Å
583I96.3Very high95.2Very high61 Ų6142.9 Ų42.931%0.31322%0.221SC..Hα-helixtrans-60-47.1175.8-73.1175.1000110.5F579 Y580 V585 K586 F587F579-I583 HydrophobicContact CD1-CD1 3.91Å; F579-I583 HydrophobicContact CD2-CD1 4.13Å; F579-I583 HydrophobicContact CE1-CD1 3.37Å; F579-I583 HydrophobicContact CE2-CD1 3.61Å; F579-I583 HydrophobicContact CE2-CG1 4.25Å; F579-I583 HydrophobicContact CG-CD1 4.29Å; F579-I583 HydrophobicContact CZ-CD1 3.23Å; F579-I583 HydrophobicContact CZ-CG1 4.33Å; F579-I583 WeakPolarHBondContact O-CG1 3.41Å; F579-I583 PolarHBondContact O-N 3.36Å; Y580-I583 PolarHBondContact O-N 3.14Å; I583-V585 PolarHBondContact O-N 3.44Å; I583-K586 PolarHBondContact O-N 3.44Å; I583-F587 WeakPolarHBondContact O-CB 3.03Å; I583-F587 PolarHBondContact O-N 3.46Å
584A96Very high95.4Very high51 Ų5144 Ų4442%0.42122%0.222SC..Hα-helixtrans-60-45.1-179.100000111.7Y580 F581 T582 T588Y580-A584 WeakPolarHBondContact O-CB 3.29Å; Y580-A584 PolarHBondContact O-N 3.3Å; F581-A584 PolarHBondContact O-N 3.15Å; T582-A584 PolarHBondContact O-N 3.24Å; A584-T588 VanDerWaalsContact O-CB 3.31Å; A584-T588 WeakPolarHBondContact O-CB 3.02Å; A584-T588 PolarHBondContact O-N 3.1Å; A584-T588 PolarHBondContact O-OG1 3.47Å
585V94.9Very high95.5Very high10 Ų1047.5 Ų47.56%0.06124%0.24CC..Hα-helixtrans-64.9-47.7176.71720000111.2I316 M319 L320 F581 T582 I583 F587 T588 G589I316-V585 HydrophobicContact CB-CG1 4.18Å; I316-V585 HydrophobicContact CG1-CG1 4.3Å; I316-V585 WeakPolarHBondContact O-CG1 3.49Å; M319-V585 HydrophobicContact CE-CG2 3.99Å; L320-V585 HydrophobicContact CB-CG1 4.11Å; L320-V585 HydrophobicContact CD1-CB 3.93Å; L320-V585 HydrophobicContact CD1-CG1 3.9Å; L320-V585 HydrophobicContact CD1-CG2 4.46Å; F581-V585 HydrophobicContact CD1-CG2 4.33Å; F581-V585 HydrophobicContact CE1-CG2 3.91Å; F581-V585 HydrophobicContact CE2-CG2 4.39Å; F581-V585 HydrophobicContact CZ-CG2 3.99Å; F581-V585 WeakPolarHBondContact O-CG2 3.34Å; F581-V585 PolarHBondContact O-N 3.3Å; T582-V585 PolarHBondContact O-N 2.92Å; I583-V585 PolarHBondContact O-N 3.44Å; V585-F587 PolarHBondContact O-N 2.85Å; V585-T588 PolarHBondContact O-N 2.62Å; V585-G589 PolarHBondContact O-N 2.73Å
586K95.4Very high95.5Very high19 Ų1947.4 Ų47.48%0.08324%0.239CC..Hα-helixtrans-64.8-39.9-179.7-70.7-66.8179.3-1720112.6E317 A388 T582 I583 G589 G590E317-K586 IonicContact OE1-NZ 2.65Å; E317-K586 PolarHBondContact OE1-NZ 3.36Å; E317-K586 IonicContact OE2-NZ 2.93Å; E317-K586 PolarHBondContact OE2-NZ 3.48Å; A388-K586 HydrophobicContact CB-CB 4.05Å; A388-K586 HydrophobicContact CB-CG 4.34Å; T582-K586 HydrophobicContact CG2-CG 4.24Å; T582-K586 WeakPolarHBondContact O-CB 3.18Å; T582-K586 VanDerWaalsContact O-CG 3.24Å; T582-K586 WeakPolarHBondContact O-CG 3.44Å; T582-K586 PolarHBondContact O-N 3.37Å; I583-K586 PolarHBondContact O-N 3.44Å; K586-G589 PolarHBondContact O-N 3.1Å; K586-G590 PolarHBondContact O-N 2.99Å
587F96.2Very high95.4Very high142 Ų14243 Ų4362%0.62322%0.223SC*.Hα-helixtrans-64.5-48.6175.9-179-107.2000111.3I583 V585 G589 G590 I591I583-F587 WeakPolarHBondContact O-CB 3.03Å; I583-F587 PolarHBondContact O-N 3.46Å; V585-F587 PolarHBondContact O-N 2.85Å; F587-G589 VanDerWaalsContact C-N 3.31Å; F587-G589 PolarHBondContact O-N 2.77Å; F587-G590 PolarHBondContact O-N 2.93Å; F587-I591 HydrophobicContact CD1-CD1 3.82Å; F587-I591 HydrophobicContact CE1-CD1 3.38Å; F587-I591 HydrophobicContact CE1-CG1 4.44Å; F587-I591 HydrophobicContact CE2-CD1 4.4Å; F587-I591 HydrophobicContact CZ-CD1 3.71Å; F587-I591 HydrophobicContact CZ-CG1 4.45Å; F587-I591 WeakPolarHBondContact O-CG1 3.49Å; F587-I591 PolarHBondContact O-N 2.04Å
588T96.7Very high95.3Very high67 Ų6750.2 Ų50.241%0.41125%0.245SC..Hα-helixtrans-60.5-41.9176.4-54.90000111.3I316 A584 V585 I591 L592I316-T588 HydrophobicContact CD1-CG2 4Å; A584-T588 VanDerWaalsContact O-CB 3.31Å; A584-T588 WeakPolarHBondContact O-CB 3.02Å; A584-T588 PolarHBondContact O-N 3.1Å; A584-T588 PolarHBondContact O-OG1 3.47Å; V585-T588 PolarHBondContact O-N 2.62Å; T588-I591 PolarHBondContact O-N 3.17Å; T588-L592 HydrophobicContact CG2-CD1 4.4Å; T588-L592 WeakPolarHBondContact O-CG 3.01Å; T588-L592 PolarHBondContact O-N 3.02Å
589G95.8Very high95.1Very high5 Ų552.4 Ų52.45%0.05226%0.26CS..Hα-helixtrans-63.9-39.5175.100000113.3V585 K586 F587 L592 L593V585-G589 PolarHBondContact O-N 2.73Å; K586-G589 PolarHBondContact O-N 3.1Å; F587-G589 VanDerWaalsContact C-N 3.31Å; F587-G589 PolarHBondContact O-N 2.77Å; G589-L592 PolarHBondContact O-N 3.24Å; G589-L593 WeakPolarHBondContact O-CB 3.28Å; G589-L593 WeakPolarHBondContact O-CG 2.89Å; G589-L593 PolarHBondContact O-N 2.73Å
590G96.4Very high94.8Very high18 Ų1853.3 Ų53.319%0.18626%0.263CS..Hα-helixtrans-60-44.5172.800000112.5K586 F587 L593 F594K586-G590 PolarHBondContact O-N 2.99Å; F587-G590 PolarHBondContact O-N 2.93Å; G590-L593 PolarHBondContact O-N 2.94Å; G590-F594 WeakPolarHBondContact O-CB 3.44Å; G590-F594 PolarHBondContact O-N 3.44Å
591I97.1Very high94Very high76 Ų7655.1 Ų55.139%0.3928%0.276SS..Hα-helixtrans-61.7-47.8175.4-67.5168.3000110.8F587 T588 L593 F594 L595F587-I591 HydrophobicContact CD1-CD1 3.82Å; F587-I591 HydrophobicContact CE1-CD1 3.38Å; F587-I591 HydrophobicContact CE1-CG1 4.44Å; F587-I591 HydrophobicContact CE2-CD1 4.4Å; F587-I591 HydrophobicContact CZ-CD1 3.71Å; F587-I591 HydrophobicContact CZ-CG1 4.45Å; F587-I591 WeakPolarHBondContact O-CG1 3.49Å; F587-I591 PolarHBondContact O-N 2.04Å; T588-I591 PolarHBondContact O-N 3.17Å; I591-L593 VanDerWaalsContact C-N 3.31Å; I591-L593 PolarHBondContact O-N 2.83Å; I591-F594 PolarHBondContact O-N 2.91Å; I591-L595 HydrophobicContact CG2-CD1 3.98Å; I591-L595 HydrophobicContact CG2-CG 4.35Å; I591-L595 WeakPolarHBondContact O-CG 2.97Å; I591-L595 PolarHBondContact O-N 3.42Å
592L96.7Very high93Very high27 Ų2758.5 Ų58.514%0.14129%0.293CS..Hα-helixtrans-61.2-40179-71.5172.4000112L312 M313 I316 T588 G589 L595 A596L312-L592 HydrophobicContact CB-CD1 3.94Å; M313-L592 HydrophobicContact CB-CB 3.97Å; M313-L592 HydrophobicContact CB-CD1 4.13Å; I316-L592 HydrophobicContact CD1-CD1 3.9Å; T588-L592 HydrophobicContact CG2-CD1 4.4Å; T588-L592 WeakPolarHBondContact O-CG 3.01Å; T588-L592 PolarHBondContact O-N 3.02Å; G589-L592 PolarHBondContact O-N 3.24Å; L592-L595 PolarHBondContact O-N 3.11Å; L592-A596 WeakPolarHBondContact O-CB 3.14Å; L592-A596 PolarHBondContact O-N 3.09Å
593L95.4Very high91.2Very high4 Ų463.7 Ų63.72%0.02133%0.329CS..Hα-helixtrans-67.5-38.5175-79.2178.7000112.9M313 M377 V380 I381 L510 G589 G590 I591 A596 A597M313-L593 HydrophobicContact CE-CD1 3.69Å; M313-L593 HydrophobicContact CE-CD2 3.38Å; M313-L593 HydrophobicContact CE-CG 3.6Å; M313-L593 HydrophobicContact CG-CD1 4.39Å; M313-L593 HydrophobicContact CG-CG 3.99Å; M313-L593 HydrophobicContact SD-CD1 4.26Å; M313-L593 HydrophobicContact SD-CG 4.36Å; M377-L593 HydrophobicContact SD-CD2 3.52Å; M377-L593 VanDerWaalsContact SD-CD2 3.52Å; V380-L593 HydrophobicContact CB-CD1 4.01Å; V380-L593 HydrophobicContact CG1-CD1 3.48Å; V380-L593 VanDerWaalsContact CG1-CD1 3.48Å; I381-L593 HydrophobicContact CD1-CB 3.85Å; I381-L593 HydrophobicContact CG1-CB 3.74Å; I381-L593 HydrophobicContact CG1-CD1 4.04Å; L510-L593 HydrophobicContact CD1-CD2 4.2Å; G589-L593 WeakPolarHBondContact O-CB 3.28Å; G589-L593 WeakPolarHBondContact O-CG 2.89Å; G589-L593 PolarHBondContact O-N 2.73Å; G590-L593 PolarHBondContact O-N 2.94Å; I591-L593 VanDerWaalsContact C-N 3.31Å; I591-L593 PolarHBondContact O-N 2.83Å; L593-A596 PolarHBondContact O-N 3.41Å; L593-A597 WeakPolarHBondContact O-CB 3.35Å; L593-A597 PolarHBondContact O-N 2.03Å
594F96Very high88.6Confident108 Ų10867.7 Ų67.747%0.47435%0.351SS..Hα-helixtrans-63.7-46174.9-179.4-96.8000111Y378 I381 G590 I591 A596 A597 Y598Y378-F594 HydrophobicContact CE1-CD2 4.38Å; I381-F594 HydrophobicContact CD1-CB 4.28Å; G590-F594 WeakPolarHBondContact O-CB 3.44Å; G590-F594 PolarHBondContact O-N 3.44Å; I591-F594 PolarHBondContact O-N 2.91Å; F594-A596 VanDerWaalsContact C-N 3.33Å; F594-A596 PolarHBondContact O-N 2.99Å; F594-A597 PolarHBondContact O-N 3.23Å; F594-Y598 WeakPolarHBondContact O-CB 3.47Å; F594-Y598 PolarHBondContact O-N 3.26Å
595L94.9Very high86Confident72 Ų7275.1 Ų75.138%0.37737%0.374SS..Hα-helixtrans-61.1-41.1174-70173.6000111.8I591 L592 Y598 C599I591-L595 HydrophobicContact CG2-CD1 3.98Å; I591-L595 HydrophobicContact CG2-CG 4.35Å; I591-L595 WeakPolarHBondContact O-CG 2.97Å; I591-L595 PolarHBondContact O-N 3.42Å; L592-L595 PolarHBondContact O-N 3.11Å; L595-Y598 PolarHBondContact O-N 3.16Å; L595-C599 WeakPolarHBondContact O-CB 3.02Å; L595-C599 PolarHBondContact O-N 3.04Å; L595-C599 PolarHBondContact O-SG 3.11Å
596A93.1Very high83Confident0 Ų079 Ų790%040%0.401CS..Hα-helixtrans-60.7-45.6174.500000111.5T306 C309 V310 L592 L593 F594 Y598 Y600T306-A596 HydrophobicContact CG2-CB 4.16Å; T306-A596 WeakPolarHBondContact CG2-O 3.45Å; C309-A596 HydrophobicContact CB-CB 3.81Å; V310-A596 HydrophobicContact CG2-CB 3.87Å; L592-A596 WeakPolarHBondContact O-CB 3.14Å; L592-A596 PolarHBondContact O-N 3.09Å; L593-A596 PolarHBondContact O-N 3.41Å; F594-A596 VanDerWaalsContact C-N 3.33Å; F594-A596 PolarHBondContact O-N 2.99Å; A596-Y598 VanDerWaalsContact C-N 3.32Å; A596-Y598 PolarHBondContact O-N 3.02Å; A596-Y600 VanDerWaalsContact O-CB 3.26Å; A596-Y600 WeakPolarHBondContact O-CB 3.41Å; A596-Y600 PolarHBondContact O-N 2.84Å
597A92.8Very high80Confident2 Ų286.6 Ų86.62%0.01744%0.443CS..Hα-helixtrans-65.7-34.4177.500000112.6K374 M377 L593 F594K374-A597 VanDerWaalsContact CE-O 3.3Å; K374-A597 WeakPolarHBondContact CE-O 3.35Å; K374-A597 HydrophobicContact CG-CB 4.49Å; M377-A597 HydrophobicContact CB-CB 4.03Å; M377-A597 HydrophobicContact CG-CB 4.21Å; L593-A597 WeakPolarHBondContact O-CB 3.35Å; L593-A597 PolarHBondContact O-N 2.03Å; F594-A597 PolarHBondContact O-N 3.23Å
598Y92.4Very high77Confident182 Ų18282.1 Ų82.171%0.71444%0.437SS*.Hα-helixtrans-72-46.3177.2-179.3-99.1000112.5F594 L595 A596 Y600F594-Y598 WeakPolarHBondContact O-CB 3.47Å; F594-Y598 PolarHBondContact O-N 3.26Å; L595-Y598 PolarHBondContact O-N 3.16Å; A596-Y598 VanDerWaalsContact C-N 3.32Å; A596-Y598 PolarHBondContact O-N 3.02Å; Y598-Y600 VanDerWaalsContact C-N 3.26Å; Y598-Y600 PolarHBondContact O-N 2.77Å
599C90.3Very high73.9Confident47 Ų4788.9 Ų88.932%0.31846%0.461SS..Hα-helixtrans-75.1-14.1178.7-680000113.5K305 T306 L595 Q601K305-C599 HydrophobicContact CB-CB 4.42Å; T306-C599 PolarHBondContact OG1-O 3.28Å; L595-C599 WeakPolarHBondContact O-CB 3.02Å; L595-C599 PolarHBondContact O-N 3.04Å; L595-C599 PolarHBondContact O-SG 3.11Å; C599-Q601 PolarHBondContact O-N 3.34Å; C599-Q601 VanDerWaalsContact O-N 3.14Å
600Y88.1Confident71Confident45 Ų4597.6 Ų97.618%0.17650%0.5CS..  trans-70.1109.4177.4-175.7-101.4000111.1T306 F373 K374 A596 Y598 E602T306-Y600 HydrophobicContact CG2-CD2 4.12Å; T306-Y600 PolarHBondContact OG1-N 3.02Å; F373-Y600 HydrophobicContact CB-CD1 3.98Å; F373-Y600 HydrophobicContact CB-CE1 3.59Å; F373-Y600 HydrophobicContact CB-CE2 4.38Å; F373-Y600 AromaticContact CD1-CD1 3.6Å; F373-Y600 HydrophobicContact CD1-CD1 3.6Å; F373-Y600 AromaticContact CD1-CD2 3.75Å; F373-Y600 HydrophobicContact CD1-CD2 3.75Å; F373-Y600 HydrophobicContact CD1-CE1 4.06Å; F373-Y600 HydrophobicContact CD1-CE2 4.2Å; F373-Y600 AromaticContact CD1-CG 3.41Å; F373-Y600 HydrophobicContact CD1-CG 3.41Å; F373-Y600 VanDerWaalsContact CD1-CG 3.41Å; F373-Y600 HydrophobicContact CE1-CD1 4.46Å; F373-Y600 AromaticContact CE1-CD2 3.99Å; F373-Y600 HydrophobicContact CE1-CD2 3.99Å; F373-Y600 AromaticContact CE1-CG 3.84Å; F373-Y600 HydrophobicContact CE1-CG 3.84Å; F373-Y600 HydrophobicContact CG-CD1 4.07Å; F373-Y600 HydrophobicContact CG-CD2 4.15Å; F373-Y600 HydrophobicContact CG-CE1 4.04Å; F373-Y600 HydrophobicContact CG-CE2 4.13Å; F373-Y600 HydrophobicContact CG-CG 4.11Å; K374-Y600 WeakPolarHBondContact CE-O 2.97Å; A596-Y600 VanDerWaalsContact O-CB 3.26Å; A596-Y600 WeakPolarHBondContact O-CB 3.41Å; A596-Y600 PolarHBondContact O-N 2.84Å; Y598-Y600 VanDerWaalsContact C-N 3.26Å; Y598-Y600 PolarHBondContact O-N 2.77Å; Y600-E602 HydrophobicContact CD1-CG 4.22Å; Y600-E602 HydrophobicContact CE1-CG 3.61Å
601Q79.9Confident67.8Low175 Ų175101.9 Ų101.982%0.81853%0.527SS*.  trans-89124.4166.4-67.8178.9-1500108.2C599 S603C599-Q601 PolarHBondContact O-N 3.34Å; C599-Q601 VanDerWaalsContact O-N 3.14Å; Q601-S603 PolarHBondContact O-N 3.4Å
602E72.6Confident64.4Low116 Ų116104.6 Ų104.654%0.54255%0.551SS.*  trans-65.3128.8167.1-75.5172.6-165.400107Y600 D604Y600-E602 HydrophobicContact CD1-CG 4.22Å; Y600-E602 HydrophobicContact CE1-CG 3.61Å; E602-D604 VanDerWaalsContact C-N 3.33Å; E602-D604 PolarHBondContact O-N 2.95Å
603S57.4Low61.2Low111 Ų111114.5 Ų114.578%0.77659%0.587SS**  trans-64.4105.716666.40000105.5Q601 K605Q601-S603 PolarHBondContact O-N 3.4Å; S603-K605 PolarHBondContact O-N 2.85Å
604D42.3Very low58.2Low145 Ų145120.2 Ų120.278%0.77562%0.622SS**  trans-49118.4170.3-79.2-34.1000106.8E602 S606E602-D604 VanDerWaalsContact C-N 3.33Å; E602-D604 PolarHBondContact O-N 2.95Å; D604-S606 PolarHBondContact O-N 2.64Å
605K40.5Very low55.1Low206 Ų206122.4 Ų122.490%0.89664%0.638SS**  trans-55.9107152.3-82.9-176.5177179.50103.6S603 N607S603-K605 PolarHBondContact O-N 2.85Å; K605-N607 PolarHBondContact O-N 3.16Å
606S33.7Very low52Low92 Ų92127.7 Ų127.764%0.64366%0.661SS**  trans-28.4134.8177.154.50000111.9D604 G608D604-S606 PolarHBondContact O-N 2.64Å; S606-G608 PolarHBondContact O-N 2.96Å
607N31.5Very low49.1Very low179 Ų179133.4 Ų133.496%0.95770%0.695SS**  trans-38.587.2136-82.2-26.2000109.4K605K605-N607 PolarHBondContact O-N 3.16Å
608G32.7Very low46.1Very low48 Ų48139.7 Ų139.750%0.49573%0.729SS.*  trans-130.628.6-178.400000110.2S606 E610S606-G608 PolarHBondContact O-N 2.96Å; G608-E610 PolarHBondContact O-N 2.6Å
609K31.4Very low43.2Very low209 Ų209135.2 Ų135.291%0.90972%0.721SS**SBendtrans-84.960.6149-82.1-173.5175.41790108
610E35.2Very low40.3Very low187 Ų187137.2 Ų137.287%0.87474%0.735SS**SBendtrans178.369.1163.6-106171.2-164.800108.4G608G608-E610 PolarHBondContact O-N 2.6Å
611S30.4Very low37.6Very low108 Ų108142.7 Ų142.776%0.75576%0.763SS**SBendtrans17741.9150.1-170.80000110.7
612C25Very low35.3Very low133 Ų133137.7 Ų137.790%0.89975%0.747SS**SBendtrans-126.442.4162.9-105.60000109.3
613R29.7Very low33.4Very low236 Ų236137 Ų13789%0.89175%0.751SS**SBendtrans-146.575.4166.5-91.6-169178.2171.8-1.1107.9
614T32.2Very low32.1Very low123 Ų123140.1 Ų140.176%0.75575%0.75SS**SBendtrans167.270.1152.2350000107.6
615L29.9Very low31.7Very low154 Ų154140.4 Ų140.481%0.80675%0.749SS**SBendtrans-165.721.1156.8-103160000111.5
616E30.1Very low31.3Very low184 Ų184135.2 Ų135.286%0.8674%0.738SS**SBendtrans-10814.3175.1-111-179.2179.600113
617T32.6Very low31.1Very low119 Ų119141.1 Ų141.173%0.7375%0.748SS**SBendtrans-118.30.7178.638.60000116.6
618D30.8Very low31.2Very low134 Ų134141 Ų14172%0.71774%0.741SS**SBendtrans-127.32.5179-78.7-38.8000116.4
619T31Very low31.3Very low89 Ų89148 Ų14855%0.54676%0.758SS.*SBendtrans-113.23.6175.142.70000114.2
620S29.6Very low31.8Very low89 Ų89144.5 Ų144.562%0.62275%0.754SS**THydrogen-bonded Turntrans-84-16.9172.4176.10000113.3
621E31.3Very low31.9Very low160 Ų160144.4 Ų144.475%0.74875%0.754SS**THydrogen-bonded Turntrans-99.3-19.9178.6-76.3-170.215300113.8
622S32.3Very low32Very low70 Ų70151.2 Ų151.249%0.4978%0.78SS.*THydrogen-bonded Turntrans-90-15-179.152.80000114.7
623V31.2Very low32.4Very low102 Ų102152.1 Ų152.162%0.61877%0.774SS**SBendtrans-95.5-14177.9-1780000112.8
624K30.5Very low32.5Very low175 Ų175147.7 Ų147.776%0.76177%0.768SS**SBendtrans-84-12.9172.3-92.8-177.9175.6178.80114.7
625M34.2Very low32.6Very low152 Ų152149.1 Ų149.175%0.74977%0.769SS**SBendtrans-91.7-4.4-178.7-107.2-170.4-6000115.5
626S31.5Very low32.7Very low97 Ų97148.8 Ų148.868%0.67877%0.767SS**SBendtrans-108.31.5-175.4-147.20000114.9
627Y30.7Very low32.9Very low216 Ų216146.6 Ų146.685%0.84776%0.761SS**SBendtrans-103.1-0.6176.8-97.7-84000114.6
628E33Very low32.9Very low176 Ų176148.4 Ų148.482%0.82276%0.763SS**SBendtrans-111.515.3-176.8-134.5172.5-163.100114.1
629K34.6Very low33Very low194 Ų194149.4 Ų149.484%0.84377%0.766SS**SBendtrans-122.818.5179.3-93.9-173.7179.1179.40115.9
630V41Very low33.2Very low136 Ų136154.1 Ų154.182%0.82478%0.783SS**SBendtrans-120.510.1173-174.50000112.6
631Q38.1Very low33.5Very low186 Ų186159.5 Ų159.587%0.86980%0.797SS**  trans-137.279.1165-74-162.9-30.200110.7
632L33.5Very low33.7Very low250 Ų250159.5 Ų159.5100%1.30980%0.801SS**  trans-161.80146.9-105.5159.6000108.8

Retrieved 632 of 632 residues in 599.2 ms (Link to these results)

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