A0A3Q0KLB0_SCHMA Loading...

sn-1-specific diacylglycerol lipase

AlphaFold DB (A0A5K4ELH9), UniProt , Accession A0A3Q0KLB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 859 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
1M68.8Low84.7Confident11 Ų1144.2 Ų44.25%0.05424%0.244CC..  0140.40-166.3-168.8149.700108.4A14 S15 V85 T88 D243 D248M1-A14 HydrophobicContact CB-CB 4.09Å; M1-A14 HydrophobicContact CG-CB 4.32Å; M1-A14 HydrophobicContact SD-CB 3.62Å; M1-S15 VanDerWaalsContact CE-CB 3.45Å; M1-S15 WeakPolarHBondContact CE-OG 3.27Å; M1-S15 PolarHBondContact SD-N 3.24Å; M1-S15 PolarHBondContact SD-OG 3.24Å; M1-V85 HydrophobicContact CB-CG1 4.22Å; M1-T88 HydrophobicContact CE-CG2 4.15Å; M1-T88 HydrophobicContact CG-CG2 3.79Å; M1-T88 HydrophobicContact SD-CG2 4.46Å; M1-D243 CarbonylContact C-O 3.58Å; M1-D248 WeakPolarHBondContact CA-OD2 3.33Å; M1-D248 WeakPolarHBondContact CB-OD2 3.5Å; M1-D248 VanDerWaalsContact N-CG 3.27Å; M1-D248 PolarHBondContact N-OD2 2.81Å
2P77.2Confident84.8Confident48 Ų4843.1 Ų43.131%0.31225%0.245SC..PPolyproline II helixtrans-56.8151.5164.324.9-34.4000111.5T88 D243P2-T88 HydrophobicContact CG-CG2 4.27Å; P2-D243 VanDerWaalsContact CA-O 3.31Å; P2-D243 WeakPolarHBondContact CA-O 3.5Å; P2-D243 WeakPolarHBondContact CA-OD2 3.39Å; P2-D243 HydrophobicContact CB-CB 4.38Å; P2-D243 WeakPolarHBondContact CB-OD2 3.42Å
3A84.4Confident85.1Confident7 Ų740.1 Ų40.16%0.05823%0.228CC..PPolyproline II helixtrans-59.8143.2175.700000111.1I5 W11 D243 V245A3-I5 PolarHBondContact O-N 2.94Å; A3-W11 VanDerWaalsContact CB-O 3.3Å; A3-W11 WeakPolarHBondContact CB-O 3.47Å; A3-D243 PolarHBondContact N-OD2 3.18Å; A3-V245 HydrophobicContact CB-CG2 4.19Å
4L88.7Confident85.3Confident9 Ų937.2 Ų37.25%0.04721%0.212CC..PPolyproline II helixtrans-62.4125177.3-169.277.7000110.1F6 T10 W11 F13 F18 P95 L98L4-F6 HydrophobicContact CD2-CB 4.01Å; L4-F6 HydrophobicContact CG-CB 4.41Å; L4-T10 CarbonylContact O-C 3.59Å; L4-T10 WeakPolarHBondContact O-CA 3.47Å; L4-W11 PolarHBondContact O-N 3.4Å; L4-F13 HydrophobicContact CB-CD2 4.08Å; L4-F13 HydrophobicContact CB-CE2 4.08Å; L4-F13 WeakPolarHBondContact CB-O 3.49Å; L4-F13 HydrophobicContact CD2-CD2 4.26Å; L4-F13 HydrophobicContact CD2-CE2 3.69Å; L4-F13 PolarHBondContact N-O 3.14Å; L4-F18 HydrophobicContact CD2-CE2 4.06Å; L4-F18 HydrophobicContact CD2-CZ 4.42Å; L4-P95 HydrophobicContact CD1-CG 4.07Å; L4-L98 HydrophobicContact CD2-CD2 3.96Å
5I85.4Confident85.6Confident70 Ų7034.9 Ų34.936%0.35920%0.199SC..EExtended strand (participates in β ladder)trans-86.8111.3167.5-57.2176.1000107.7A3 R9 T10A3-I5 PolarHBondContact O-N 2.94Å; I5-R9 CarbonylContact C-O 3.45Å; I5-R9 WeakPolarHBondContact CA-O 3.27Å; I5-T10 HydrophobicContact CG1-CG2 4.06Å
6F88.2Confident85.9Confident16 Ų1633.2 Ų33.27%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-135129.9178.8175.8-112.2000109.3L4 G8 R9 W11 P95 L98L4-F6 HydrophobicContact CD2-CB 4.01Å; L4-F6 HydrophobicContact CG-CB 4.41Å; F6-G8 VanDerWaalsContact C-N 3.31Å; F6-G8 PolarHBondContact O-N 3.36Å; F6-R9 PolarHBondContact N-O 3.16Å; F6-R9 PolarHBondContact O-N 2.66Å; F6-R9 VanDerWaalsContact O-O 3.12Å; F6-W11 AromaticContact CD1-CE2 3.9Å; F6-W11 AromaticContact CD1-CZ2 3.96Å; F6-W11 HydrophobicContact CD1-CZ2 3.96Å; F6-W11 AromaticContact CD1-NE1 3.74Å; F6-W11 PolarHBondContact O-NE1 3.35Å; F6-P95 HydrophobicContact CD2-CB 4.4Å; F6-L98 HydrophobicContact CD1-CD2 4.08Å; F6-L98 HydrophobicContact CD2-CD2 4.17Å; F6-L98 HydrophobicContact CE1-CD2 4.2Å; F6-L98 HydrophobicContact CE1-CG 4.43Å; F6-L98 HydrophobicContact CE2-CB 4.45Å; F6-L98 HydrophobicContact CE2-CD2 4.28Å; F6-L98 HydrophobicContact CE2-CG 4.29Å; F6-L98 HydrophobicContact CG-CD2 4.07Å; F6-L98 HydrophobicContact CZ-CD2 4.3Å; F6-L98 HydrophobicContact CZ-CG 4.18Å
7L86.6Confident86.1Confident135 Ų13533.7 Ų33.771%0.70719%0.191SC*.THydrogen-bonded Turntrans54.642.4-172.3-55.6172.9000113.1R9L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.45Å
8G85Confident86.3Confident55 Ų5532.2 Ų32.257%0.56718%0.182SC*.THydrogen-bonded Turntrans68.319178.500000114.8F6 S164F6-G8 VanDerWaalsContact C-N 3.31Å; F6-G8 PolarHBondContact O-N 3.36Å; G8-S164 PolarHBondContact O-OG 3.4Å
9R89.1Confident86.5Confident108 Ų10831.1 Ų31.141%0.40818%0.176SC..EExtended strand (participates in β ladder)trans-137.2145.9-179.2-62.2-177.1-179.3-157.4-0.1110.8I5 F6 L7 Y156 A161I5-R9 CarbonylContact C-O 3.45Å; I5-R9 WeakPolarHBondContact CA-O 3.27Å; F6-R9 PolarHBondContact N-O 3.16Å; F6-R9 PolarHBondContact O-N 2.66Å; F6-R9 VanDerWaalsContact O-O 3.12Å; L7-R9 VanDerWaalsContact C-N 3.26Å; L7-R9 PolarHBondContact O-N 3.45Å; R9-Y156 PolarHBondContact NH1-OH 3.2Å; R9-A161 HydrophobicContact CG-CB 4.33Å
10T88.7Confident86.5Confident2 Ų233.4 Ų33.41%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-78.7135.5170.962.40000110.6L4 I5 R157 G160 W163L4-T10 CarbonylContact O-C 3.59Å; L4-T10 WeakPolarHBondContact O-CA 3.47Å; I5-T10 HydrophobicContact CG1-CG2 4.06Å; T10-R157 WeakPolarHBondContact O-CB 3.46Å; T10-G160 PolarHBondContact N-O 3.38Å; T10-G160 WeakPolarHBondContact O-CA 3.29Å; T10-G160 VanDerWaalsContact OG1-CA 3.26Å; T10-G160 WeakPolarHBondContact OG1-CA 3.44Å; T10-G160 PolarHBondContact OG1-O 3.14Å; T10-W163 HydrophobicContact CG2-CB 4.03Å; T10-W163 WeakPolarHBondContact OG1-CB 3.41Å
11W89.8Confident86.5Confident25 Ų2533.4 Ų33.410%0.09519%0.194CC..  trans-102.6168.1176.9-69.374.4000112.3A3 L4 F6 F13 L152 Y156A3-W11 VanDerWaalsContact CB-O 3.3Å; A3-W11 WeakPolarHBondContact CB-O 3.47Å; L4-W11 PolarHBondContact O-N 3.4Å; F6-W11 AromaticContact CD1-CE2 3.9Å; F6-W11 AromaticContact CD1-CZ2 3.96Å; F6-W11 HydrophobicContact CD1-CZ2 3.96Å; F6-W11 AromaticContact CD1-NE1 3.74Å; F6-W11 PolarHBondContact O-NE1 3.35Å; W11-F13 HydrophobicContact CB-CD1 4.27Å; W11-F13 HydrophobicContact CB-CD2 4.02Å; W11-F13 HydrophobicContact CB-CE1 3.88Å; W11-F13 HydrophobicContact CB-CE2 3.57Å; W11-F13 HydrophobicContact CB-CG 4.33Å; W11-F13 HydrophobicContact CB-CZ 3.5Å; W11-F13 VanDerWaalsContact CB-CZ 3.5Å; W11-F13 HydrophobicContact CD2-CE1 4.09Å; W11-F13 HydrophobicContact CD2-CE2 4.47Å; W11-F13 AromaticContact CD2-CZ 3.66Å; W11-F13 HydrophobicContact CD2-CZ 3.66Å; W11-F13 AromaticContact CE3-CE1 3.6Å; W11-F13 HydrophobicContact CE3-CE1 3.6Å; W11-F13 AromaticContact CE3-CZ 3.62Å; W11-F13 HydrophobicContact CE3-CZ 3.62Å; W11-F13 HydrophobicContact CG-CE1 4.23Å; W11-F13 AromaticContact CG-CE2 3.98Å; W11-F13 HydrophobicContact CG-CE2 3.98Å; W11-F13 AromaticContact CG-CZ 3.62Å; W11-F13 HydrophobicContact CG-CZ 3.62Å; W11-F13 HydrophobicContact CZ3-CE1 4.44Å; W11-F13 PolarHBondContact O-N 2.77Å; W11-L152 HydrophobicContact CZ3-CB 4.35Å; W11-L152 WeakPolarHBondContact CZ3-O 3.41Å; W11-Y156 HydrophobicContact CH2-CD2 4.02Å; W11-Y156 HydrophobicContact CZ2-CD2 4.48Å; W11-Y156 HydrophobicContact CZ3-CD2 4.08Å
12A86Confident87.4Confident31 Ų3133 Ų3326%0.25619%0.192SC..SBendtrans-84.815.4178.800000113.9H155 V245A12-H155 HydrophobicContact CB-CB 4.42Å; A12-H155 VanDerWaalsContact CB-O 3.23Å; A12-H155 WeakPolarHBondContact CB-O 3.24Å; A12-H155 PolarHBondContact N-O 2.9Å; A12-H155 VanDerWaalsContact N-O 3.13Å; A12-V245 WeakPolarHBondContact O-CG1 3.37Å
13F88.9Confident87.9Confident4 Ų434 Ų342%0.01820%0.197CC..SBendtrans-129.2157.7175.550-110.9000109.9L4 W11 D17 F18 L98 L152 H155L4-F13 HydrophobicContact CB-CD2 4.08Å; L4-F13 HydrophobicContact CB-CE2 4.08Å; L4-F13 WeakPolarHBondContact CB-O 3.49Å; L4-F13 HydrophobicContact CD2-CD2 4.26Å; L4-F13 HydrophobicContact CD2-CE2 3.69Å; L4-F13 PolarHBondContact N-O 3.14Å; W11-F13 HydrophobicContact CB-CD1 4.27Å; W11-F13 HydrophobicContact CB-CD2 4.02Å; W11-F13 HydrophobicContact CB-CE1 3.88Å; W11-F13 HydrophobicContact CB-CE2 3.57Å; W11-F13 HydrophobicContact CB-CG 4.33Å; W11-F13 HydrophobicContact CB-CZ 3.5Å; W11-F13 VanDerWaalsContact CB-CZ 3.5Å; W11-F13 HydrophobicContact CD2-CE1 4.09Å; W11-F13 HydrophobicContact CD2-CE2 4.47Å; W11-F13 AromaticContact CD2-CZ 3.66Å; W11-F13 HydrophobicContact CD2-CZ 3.66Å; W11-F13 AromaticContact CE3-CE1 3.6Å; W11-F13 HydrophobicContact CE3-CE1 3.6Å; W11-F13 AromaticContact CE3-CZ 3.62Å; W11-F13 HydrophobicContact CE3-CZ 3.62Å; W11-F13 HydrophobicContact CG-CE1 4.23Å; W11-F13 AromaticContact CG-CE2 3.98Å; W11-F13 HydrophobicContact CG-CE2 3.98Å; W11-F13 AromaticContact CG-CZ 3.62Å; W11-F13 HydrophobicContact CG-CZ 3.62Å; W11-F13 HydrophobicContact CZ3-CE1 4.44Å; W11-F13 PolarHBondContact O-N 2.77Å; F13-D17 WeakPolarHBondContact CA-OD2 3.39Å; F13-D17 HydrophobicContact CB-CB 4.22Å; F13-F18 AromaticContact CD2-CE2 3.65Å; F13-F18 HydrophobicContact CD2-CE2 3.65Å; F13-F18 AromaticContact CD2-CZ 3.49Å; F13-F18 HydrophobicContact CD2-CZ 3.49Å; F13-F18 VanDerWaalsContact CD2-CZ 3.49Å; F13-F18 HydrophobicContact CE1-CZ 4.49Å; F13-F18 HydrophobicContact CE2-CE1 4.45Å; F13-F18 AromaticContact CE2-CE2 3.82Å; F13-F18 HydrophobicContact CE2-CE2 3.82Å; F13-F18 AromaticContact CE2-CZ 3.34Å; F13-F18 HydrophobicContact CE2-CZ 3.34Å; F13-F18 HydrophobicContact CG-CZ 4.18Å; F13-F18 AromaticContact CZ-CZ 3.88Å; F13-F18 HydrophobicContact CZ-CZ 3.88Å; F13-L98 HydrophobicContact CE2-CD2 4.45Å; F13-L152 HydrophobicContact CE1-CD2 4.16Å; F13-L152 HydrophobicContact CZ-CD2 4.26Å; F13-H155 HydrophobicContact CD1-CB 3.52Å; F13-H155 AromaticContact CD1-CG 3.99Å; F13-H155 HydrophobicContact CE1-CB 3.82Å
14A88.2Confident88.1Confident0 Ų037.9 Ų37.90%022%0.22CC..  trans-99.2164.2177.600000110.9M1 D16 D17 V245M1-A14 HydrophobicContact CB-CB 4.09Å; M1-A14 HydrophobicContact CG-CB 4.32Å; M1-A14 HydrophobicContact SD-CB 3.62Å; A14-D16 WeakPolarHBondContact CB-OD1 3.47Å; A14-D16 PolarHBondContact O-N 3.5Å; A14-D16 VanDerWaalsContact O-N 3.16Å; A14-D17 PolarHBondContact N-OD2 3.13Å; A14-D17 PolarHBondContact O-N 2.74Å; A14-V245 HydrophobicContact CB-CB 4.25Å; A14-V245 HydrophobicContact CB-CG2 3.95Å
15S89.3Confident88.2Confident3 Ų338.4 Ų38.42%0.02122%0.223CC..THydrogen-bonded Turntrans-62.4-20.7-179.765.40000114.2M1 S80 R91M1-S15 VanDerWaalsContact CE-CB 3.45Å; M1-S15 WeakPolarHBondContact CE-OG 3.27Å; M1-S15 PolarHBondContact SD-N 3.24Å; M1-S15 PolarHBondContact SD-OG 3.24Å; S15-S80 WeakPolarHBondContact O-CB 3.22Å; S15-S80 PolarHBondContact O-OG 3.41Å; S15-R91 WeakPolarHBondContact OG-CD 3.38Å; S15-R91 PolarHBondContact OG-NE 2.93Å; S15-R91 VanDerWaalsContact OG-NE 3.08Å
16D89.8Confident88.4Confident7 Ų738.2 Ų38.24%0.03722%0.219CC..THydrogen-bonded Turntrans-96.6-0.6-178.161.7-31.4000113.4A14 F18 S80 K569A14-D16 WeakPolarHBondContact CB-OD1 3.47Å; A14-D16 PolarHBondContact O-N 3.5Å; A14-D16 VanDerWaalsContact O-N 3.16Å; D16-F18 VanDerWaalsContact C-N 3.29Å; D16-F18 PolarHBondContact O-N 3.05Å; D16-S80 WeakPolarHBondContact CA-O 3.28Å; D16-S80 VanDerWaalsContact CA-OG 3.23Å; D16-S80 WeakPolarHBondContact CA-OG 3.43Å; D16-S80 PolarHBondContact O-OG 3.4Å; D16-K569 WeakPolarHBondContact OD1-CE 3.38Å; D16-K569 IonicContact OD1-NZ 3.84Å; D16-K569 PolarHBondContact OD1-NZ 2.69Å; D16-K569 WeakPolarHBondContact OD2-CB 3.49Å; D16-K569 WeakPolarHBondContact OD2-CD 3.49Å; D16-K569 WeakPolarHBondContact OD2-CE 3.5Å; D16-K569 IonicContact OD2-NZ 3.63Å; D16-K569 PolarHBondContact OD2-NZ 3.4Å
17D89.1Confident88.5Confident42 Ų4242.4 Ų42.423%0.22524%0.242CC..THydrogen-bonded Turntrans-79.5-7.7177.3-72.1-30.1000113.3F13 A14 S247 K569F13-D17 WeakPolarHBondContact CA-OD2 3.39Å; F13-D17 HydrophobicContact CB-CB 4.22Å; A14-D17 PolarHBondContact N-OD2 3.13Å; A14-D17 PolarHBondContact O-N 2.74Å; D17-S247 VanDerWaalsContact OD1-CB 3.28Å; D17-S247 WeakPolarHBondContact OD1-CB 3.42Å; D17-S247 PolarHBondContact OD1-OG 2.67Å; D17-S247 PolarHBondContact OD2-OG 3.09Å; D17-K569 WeakPolarHBondContact OD1-CE 3.46Å; D17-K569 IonicContact OD1-NZ 3.35Å; D17-K569 PolarHBondContact OD1-NZ 2.96Å; D17-K569 IonicContact OD2-NZ 2.92Å
18F90.9Very high88.7Confident6 Ų638.8 Ų38.83%0.02622%0.223CC..Hα-helixtrans-87.3-6.2-171.2-69.9-80.7000115.4L4 F13 D16 T21 G22 L76 S80 V94 L98L4-F18 HydrophobicContact CD2-CE2 4.06Å; L4-F18 HydrophobicContact CD2-CZ 4.42Å; F13-F18 AromaticContact CD2-CE2 3.65Å; F13-F18 HydrophobicContact CD2-CE2 3.65Å; F13-F18 AromaticContact CD2-CZ 3.49Å; F13-F18 HydrophobicContact CD2-CZ 3.49Å; F13-F18 VanDerWaalsContact CD2-CZ 3.49Å; F13-F18 HydrophobicContact CE1-CZ 4.49Å; F13-F18 HydrophobicContact CE2-CE1 4.45Å; F13-F18 AromaticContact CE2-CE2 3.82Å; F13-F18 HydrophobicContact CE2-CE2 3.82Å; F13-F18 AromaticContact CE2-CZ 3.34Å; F13-F18 HydrophobicContact CE2-CZ 3.34Å; F13-F18 HydrophobicContact CG-CZ 4.18Å; F13-F18 AromaticContact CZ-CZ 3.88Å; F13-F18 HydrophobicContact CZ-CZ 3.88Å; D16-F18 VanDerWaalsContact C-N 3.29Å; D16-F18 PolarHBondContact O-N 3.05Å; F18-T21 VanDerWaalsContact CA-OG1 3.29Å; F18-T21 WeakPolarHBondContact CA-OG1 3.08Å; F18-T21 PolarHBondContact O-OG1 3.37Å; F18-T21 VanDerWaalsContact O-OG1 3.06Å; F18-G22 WeakPolarHBondContact O-CA 3.15Å; F18-G22 PolarHBondContact O-N 2.94Å; F18-L76 HydrophobicContact CB-CD1 4.15Å; F18-L76 HydrophobicContact CB-CD2 4.32Å; F18-L76 HydrophobicContact CB-CG 4Å; F18-L76 HydrophobicContact CD1-CD2 4.13Å; F18-L76 HydrophobicContact CG-CD1 4.22Å; F18-L76 HydrophobicContact CG-CD2 4.41Å; F18-L76 HydrophobicContact CG-CG 4.4Å; F18-S80 PolarHBondContact N-OG 3Å; F18-S80 VanDerWaalsContact N-OG 3.12Å; F18-V94 HydrophobicContact CD2-CG1 3.95Å; F18-V94 HydrophobicContact CE2-CG1 4.22Å; F18-L98 HydrophobicContact CD1-CD1 4.44Å; F18-L98 HydrophobicContact CE1-CD1 3.73Å; F18-L98 HydrophobicContact CE1-CD2 4.18Å; F18-L98 HydrophobicContact CE2-CD2 4.38Å; F18-L98 HydrophobicContact CZ-CD1 4.09Å; F18-L98 HydrophobicContact CZ-CD2 3.66Å; F18-L98 HydrophobicContact CZ-CG 4.47Å
19V89.5Confident89Confident12 Ų1236.3 Ų36.37%0.07320%0.197CC..Hα-helixtrans-60.1-56.7-179-173.30000111T21 G22 V23 S77 S80 H570V19-T21 PolarHBondContact O-N 3.25Å; V19-G22 PolarHBondContact O-N 3.45Å; V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 2.8Å; V19-S77 PolarHBondContact O-OG 2.97Å; V19-S80 WeakPolarHBondContact CG2-OG 3.32Å; V19-S80 PolarHBondContact N-OG 3.45Å; V19-H570 HydrophobicContact CB-CB 4.01Å; V19-H570 HydrophobicContact CG1-CB 4.27Å; V19-H570 HydrophobicContact CG2-CB 4.2Å
20C86.7Confident89.1Confident76 Ų7634.7 Ų34.751%0.51420%0.195SC..Hα-helixtrans-66.1-41.3-177.4-64.30000111.8G22 V23 V24C20-G22 VanDerWaalsContact C-N 3.34Å; C20-V23 PolarHBondContact O-N 3.26Å; C20-V24 VanDerWaalsContact O-CG2 3.32Å; C20-V24 WeakPolarHBondContact O-CG2 3.18Å; C20-V24 PolarHBondContact O-N 3.48Å
21T87Confident89.2Confident35 Ų3539 Ų3922%0.21522%0.218CC..Hα-helixtrans-66.2-38.717854.40000111.5F18 V19 V24 N25 F151F18-T21 VanDerWaalsContact CA-OG1 3.29Å; F18-T21 WeakPolarHBondContact CA-OG1 3.08Å; F18-T21 PolarHBondContact O-OG1 3.37Å; F18-T21 VanDerWaalsContact O-OG1 3.06Å; V19-T21 PolarHBondContact O-N 3.25Å; T21-V24 PolarHBondContact O-N 2.73Å; T21-N25 VanDerWaalsContact O-CB 3.32Å; T21-N25 WeakPolarHBondContact O-CB 3.49Å; T21-N25 PolarHBondContact O-N 3.47Å; T21-N25 PolarHBondContact O-ND2 3Å; T21-F151 HydrophobicContact CG2-CE1 4.18Å; T21-F151 HydrophobicContact CG2-CE2 4.42Å; T21-F151 HydrophobicContact CG2-CZ 3.83Å
22G87.4Confident89.1Confident1 Ų138 Ų381%0.0121%0.214CC..Hα-helixtrans-63.2-44.4175.900000111.8F18 V19 C20 N25 F26F18-G22 WeakPolarHBondContact O-CA 3.15Å; F18-G22 PolarHBondContact O-N 2.94Å; V19-G22 PolarHBondContact O-N 3.45Å; C20-G22 VanDerWaalsContact C-N 3.34Å; G22-N25 PolarHBondContact O-N 3.04Å; G22-F26 VanDerWaalsContact O-CB 3.28Å; G22-F26 WeakPolarHBondContact O-CB 3.45Å; G22-F26 PolarHBondContact O-N 2.68Å
23V88.1Confident89.2Confident70 Ų7037.5 Ų37.542%0.42421%0.211SC..Hα-helixtrans-63.2-44.4175.2174.10000111.8V19 C20 F26 L27V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 2.8Å; C20-V23 PolarHBondContact O-N 3.26Å; V23-F26 PolarHBondContact O-N 3.43Å; V23-L27 HydrophobicContact CG1-CD1 4.17Å; V23-L27 HydrophobicContact CG1-CG 4.5Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 2.81Å
24V88.6Confident89.2Confident89 Ų8943.7 Ų43.754%0.53924%0.238SC..Hα-helixtrans-64.1-43.21781710000111.3C20 T21 F26 L27 L28C20-V24 VanDerWaalsContact O-CG2 3.32Å; C20-V24 WeakPolarHBondContact O-CG2 3.18Å; C20-V24 PolarHBondContact O-N 3.48Å; T21-V24 PolarHBondContact O-N 2.73Å; V24-F26 VanDerWaalsContact C-N 3.35Å; V24-L27 PolarHBondContact O-N 2.69Å; V24-L28 WeakPolarHBondContact O-CB 3.1Å; V24-L28 PolarHBondContact O-N 2.93Å
25N90.2Very high89.1Confident19 Ų1945.6 Ų45.610%0.10225%0.248CC..Hα-helixtrans-62.2-43176.3-74.7-21000111.7T21 G22 L28 R29 D73 H144T21-N25 VanDerWaalsContact O-CB 3.32Å; T21-N25 WeakPolarHBondContact O-CB 3.49Å; T21-N25 PolarHBondContact O-N 3.47Å; T21-N25 PolarHBondContact O-ND2 3Å; G22-N25 PolarHBondContact O-N 3.04Å; N25-L28 PolarHBondContact O-N 3.24Å; N25-R29 WeakPolarHBondContact O-CB 3.5Å; N25-R29 VanDerWaalsContact O-CG 3.26Å; N25-R29 WeakPolarHBondContact O-CG 3.27Å; N25-R29 PolarHBondContact O-N 3.21Å; N25-D73 WeakPolarHBondContact CB-OD2 3.24Å; N25-H144 PolarHBondContact OD1-NE2 2.68Å
26F90Very high88.8Confident66 Ų6645.6 Ų45.629%0.28925%0.247SC..Hα-helixtrans-58.8-49.5175.8177.6-93.3000111.7G22 V23 V24 L28 R29 I30 L70G22-F26 VanDerWaalsContact O-CB 3.28Å; G22-F26 WeakPolarHBondContact O-CB 3.45Å; G22-F26 PolarHBondContact O-N 2.68Å; V23-F26 PolarHBondContact O-N 3.43Å; V24-F26 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.81Å; F26-R29 PolarHBondContact O-N 3.19Å; F26-I30 HydrophobicContact CD1-CD1 3.81Å; F26-I30 HydrophobicContact CE1-CD1 3.21Å; F26-I30 HydrophobicContact CE1-CG1 4.36Å; F26-I30 HydrophobicContact CE2-CD1 4.02Å; F26-I30 HydrophobicContact CG-CD1 4.44Å; F26-I30 HydrophobicContact CZ-CD1 3.34Å; F26-I30 HydrophobicContact CZ-CG1 4.43Å; F26-I30 WeakPolarHBondContact O-CG1 3.31Å; F26-I30 PolarHBondContact O-N 3.46Å; F26-L70 HydrophobicContact CD2-CB 4.31Å; F26-L70 HydrophobicContact CD2-CD2 3.54Å; F26-L70 HydrophobicContact CE2-CB 4.3Å; F26-L70 HydrophobicContact CE2-CD2 3.91Å; F26-L70 HydrophobicContact CG-CD2 4.17Å
27L90.5Very high88.4Confident105 Ų10548 Ų4855%0.5526%0.262SS..Hα-helixtrans-62.9-43.1179.2-69.3174.9000112.4V23 V24 I30 L31V23-L27 HydrophobicContact CG1-CD1 4.17Å; V23-L27 HydrophobicContact CG1-CG 4.5Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 2.81Å; V24-L27 PolarHBondContact O-N 2.69Å; L27-I30 PolarHBondContact O-N 2.89Å; L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 PolarHBondContact O-N 3.18Å
28L90.1Very high87.8Confident58 Ų5849.9 Ų49.930%0.30427%0.271SS..Hα-helixtrans-67.3-36.7179.3-174.255.1000111.8V24 N25 F26 L31 C32 I140 H144V24-L28 WeakPolarHBondContact O-CB 3.1Å; V24-L28 PolarHBondContact O-N 2.93Å; N25-L28 PolarHBondContact O-N 3.24Å; F26-L28 PolarHBondContact O-N 2.81Å; L28-L31 PolarHBondContact O-N 3.07Å; L28-C32 WeakPolarHBondContact O-CB 3.05Å; L28-C32 PolarHBondContact O-N 2.63Å; L28-I140 HydrophobicContact CD1-CG2 4.28Å; L28-H144 HydrophobicContact CD2-CB 3.88Å; L28-H144 WeakPolarHBondContact CD2-CD2 3.32Å; L28-H144 VanDerWaalsContact CD2-CG 3.5Å; L28-H144 HydrophobicContact CG-CB 4.32Å
29R91.1Very high86.9Confident4 Ų450 Ų502%0.01527%0.271CS..Hα-helixtrans-68.2-40.2174.9-75.8175.8178167.61.3112.5N25 F26 C32 A33 M66 L69 L70 D73N25-R29 WeakPolarHBondContact O-CB 3.5Å; N25-R29 VanDerWaalsContact O-CG 3.26Å; N25-R29 WeakPolarHBondContact O-CG 3.27Å; N25-R29 PolarHBondContact O-N 3.21Å; F26-R29 PolarHBondContact O-N 3.19Å; R29-C32 PolarHBondContact O-N 2.8Å; R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 2.91Å; R29-M66 HydrophobicContact CB-CE 3.81Å; R29-M66 HydrophobicContact CG-CE 3.93Å; R29-L69 VanDerWaalsContact NH1-CB 3.32Å; R29-L69 PolarHBondContact NH1-O 3.15Å; R29-L70 HydrophobicContact CB-CD2 3.67Å; R29-L70 HydrophobicContact CB-CG 4.43Å; R29-D73 WeakPolarHBondContact CD-OD2 3.4Å; R29-D73 IonicContact CZ-OD1 2.91Å; R29-D73 IonicContact CZ-OD2 2.61Å; R29-D73 IonicContact NE-OD2 3.26Å; R29-D73 IonicContact NH1-OD1 3.32Å; R29-D73 PolarHBondContact NH1-OD1 2.79Å; R29-D73 IonicContact NH1-OD2 3.65Å; R29-D73 PolarHBondContact NH1-OD2 3.07Å
30I91.1Very high85.9Confident73 Ų7351.7 Ų51.737%0.37428%0.28SS..Hα-helixtrans-63.1-44.7173.5-74.4-178.6000110.9F26 L27 C32 A33 F34 L70F26-I30 HydrophobicContact CD1-CD1 3.81Å; F26-I30 HydrophobicContact CE1-CD1 3.21Å; F26-I30 HydrophobicContact CE1-CG1 4.36Å; F26-I30 HydrophobicContact CE2-CD1 4.02Å; F26-I30 HydrophobicContact CG-CD1 4.44Å; F26-I30 HydrophobicContact CZ-CD1 3.34Å; F26-I30 HydrophobicContact CZ-CG1 4.43Å; F26-I30 WeakPolarHBondContact O-CG1 3.31Å; F26-I30 PolarHBondContact O-N 3.46Å; L27-I30 PolarHBondContact O-N 2.89Å; I30-C32 VanDerWaalsContact C-N 3.33Å; I30-C32 PolarHBondContact O-N 2.83Å; I30-A33 PolarHBondContact O-N 3.38Å; I30-F34 WeakPolarHBondContact O-CB 3.42Å; I30-F34 PolarHBondContact O-N 3.23Å; I30-L70 HydrophobicContact CG1-CD1 4.26Å; I30-L70 HydrophobicContact CG1-CD2 3.85Å
31L90.4Very high85.1Confident93 Ų9353 Ų5349%0.48729%0.286SS..Hα-helixtrans-60.2-46177.3179.464.5000111.1L27 L28 A33 F34 I35L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 PolarHBondContact O-N 3.18Å; L28-L31 PolarHBondContact O-N 3.07Å; L31-A33 PolarHBondContact O-N 3.13Å; L31-F34 PolarHBondContact O-N 3.3Å; L31-I35 HydrophobicContact CD1-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 4.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.39Å
32C89.5Confident84.1Confident3 Ų357 Ų572%0.0231%0.305CS..Hα-helixtrans-58.4-47.1175.6-170.50000111.4L28 R29 I30 F34 I35 M36 M66 G137L28-C32 WeakPolarHBondContact O-CB 3.05Å; L28-C32 PolarHBondContact O-N 2.63Å; R29-C32 PolarHBondContact O-N 2.8Å; I30-C32 VanDerWaalsContact C-N 3.33Å; I30-C32 PolarHBondContact O-N 2.83Å; C32-F34 PolarHBondContact O-N 3.42Å; C32-I35 PolarHBondContact O-N 2.86Å; C32-M36 VanDerWaalsContact O-CE 3.3Å; C32-M36 WeakPolarHBondContact O-CE 3.48Å; C32-M36 PolarHBondContact O-N 2.79Å; C32-M66 HydrophobicContact CB-CE 4.4Å; C32-G137 PolarHBondContact SG-O 3.29Å
33A87.5Confident82.9Confident22 Ų2258.2 Ų58.218%0.18232%0.315CS..Hα-helixtrans-59.7-44176.800000111.9R29 I30 L31 I35 M36 V37R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 2.91Å; I30-A33 PolarHBondContact O-N 3.38Å; L31-A33 PolarHBondContact O-N 3.13Å; A33-I35 PolarHBondContact O-N 3.42Å; A33-M36 PolarHBondContact O-N 3.46Å; A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.44Å; A33-V37 PolarHBondContact O-N 2.94Å
34F87.7Confident81.5Confident134 Ų13461.3 Ų61.359%0.58834%0.34SS*.Hα-helixtrans-61.3-43.6178.6-174.3-97.6000112.3I30 L31 C32 M36 V37 M38I30-F34 WeakPolarHBondContact O-CB 3.42Å; I30-F34 PolarHBondContact O-N 3.23Å; L31-F34 PolarHBondContact O-N 3.3Å; C32-F34 PolarHBondContact O-N 3.42Å; F34-M36 VanDerWaalsContact C-N 3.26Å; F34-M36 PolarHBondContact O-N 2.97Å; F34-V37 PolarHBondContact O-N 3.43Å; F34-M38 HydrophobicContact CE1-CB 4.37Å; F34-M38 HydrophobicContact CE1-CG 4.41Å; F34-M38 HydrophobicContact CZ-CG 4.45Å; F34-M38 VanDerWaalsContact O-CB 3.28Å; F34-M38 WeakPolarHBondContact O-CB 3.32Å; F34-M38 PolarHBondContact O-N 2.88Å
35I87Confident80.3Confident40 Ų4060.8 Ų60.821%0.20533%0.334CS..Hα-helixtrans-60.9-35.7177.8-68.3166.6000111.6L31 C32 A33 P39 C133 I140L31-I35 HydrophobicContact CD1-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 4.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.39Å; C32-I35 PolarHBondContact O-N 2.86Å; A33-I35 PolarHBondContact O-N 3.42Å; I35-P39 WeakPolarHBondContact O-CD 3.42Å; I35-C133 WeakPolarHBondContact CG2-O 3.26Å; I35-I140 HydrophobicContact CD1-CD1 3.8Å
36M82Confident79Confident2 Ų262.9 Ų62.91%0.0135%0.349CS..Hα-helixtrans-82.1-27.5179.6-64.3178.4-62.500113.3C32 A33 F34 M62 F63C32-M36 VanDerWaalsContact O-CE 3.3Å; C32-M36 WeakPolarHBondContact O-CE 3.48Å; C32-M36 PolarHBondContact O-N 2.79Å; A33-M36 PolarHBondContact O-N 3.46Å; F34-M36 VanDerWaalsContact C-N 3.26Å; F34-M36 PolarHBondContact O-N 2.97Å; M36-M62 HydrophobicContact CE-CE 3.09Å; M36-M62 HydrophobicContact CE-SD 3.77Å; M36-M62 HydrophobicContact SD-CE 3.5Å; M36-M62 VanDerWaalsContact SD-CE 3.5Å; M36-M62 HydrophobicContact SD-SD 4.2Å; M36-F63 HydrophobicContact CB-CZ 4.26Å
37V82.4Confident77.8Confident57 Ų5763.5 Ų63.535%0.34536%0.358SS..Hα-helixtrans-83.1-40.3179.6172.90000112.3A33 F34 P39 L40 T41 F63A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.44Å; A33-V37 PolarHBondContact O-N 2.94Å; F34-V37 PolarHBondContact O-N 3.43Å; V37-P39 VanDerWaalsContact C-CD 3.46Å; V37-L40 WeakPolarHBondContact O-CB 3.36Å; V37-L40 PolarHBondContact O-N 3.02Å; V37-T41 HydrophobicContact CG1-CG2 4.08Å; V37-T41 PolarHBondContact O-N 3.35Å; V37-F63 HydrophobicContact CG2-CD1 4.42Å; V37-F63 HydrophobicContact CG2-CE1 3.45Å; V37-F63 VanDerWaalsContact CG2-CE1 3.45Å; V37-F63 HydrophobicContact CG2-CZ 3.59Å
38M77Confident76.7Confident83 Ų8362.4 Ų62.441%0.40936%0.356SS..Hα-helixtrans-53.9-41.7-172.5-177.5-87.7-171.900114.6F34 T41 L42F34-M38 HydrophobicContact CE1-CB 4.37Å; F34-M38 HydrophobicContact CE1-CG 4.41Å; F34-M38 HydrophobicContact CZ-CG 4.45Å; F34-M38 VanDerWaalsContact O-CB 3.28Å; F34-M38 WeakPolarHBondContact O-CB 3.32Å; F34-M38 PolarHBondContact O-N 2.88Å; M38-T41 PolarHBondContact O-N 3.24Å; M38-T41 PolarHBondContact O-OG1 2.75Å; M38-L42 HydrophobicContact CE-CD1 3.31Å; M38-L42 HydrophobicContact CG-CD1 4.4Å; M38-L42 WeakPolarHBondContact O-CG 3.41Å; M38-L42 PolarHBondContact O-N 3.48Å; M38-L42 HydrophobicContact SD-CD1 3.65Å
39P71.2Confident75.5Confident7 Ų760.2 Ų60.25%0.04535%0.345CS..Hα-helixtrans-72.7-31176.4-11.925.6000113.4I35 V37 T41 L42 A43 V130 C133I35-P39 WeakPolarHBondContact O-CD 3.42Å; V37-P39 VanDerWaalsContact C-CD 3.46Å; P39-T41 VanDerWaalsContact C-N 3.26Å; P39-T41 PolarHBondContact O-N 3.19Å; P39-L42 PolarHBondContact O-N 3.26Å; P39-A43 VanDerWaalsContact O-CB 3.3Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 3.4Å; P39-V130 HydrophobicContact CB-CB 4.07Å; P39-V130 HydrophobicContact CB-CG1 4.05Å; P39-V130 HydrophobicContact CB-CG2 3.8Å; P39-C133 HydrophobicContact CB-CB 4.28Å; P39-C133 HydrophobicContact CG-CB 3.2Å
40L68.7Low74.4Confident48 Ų4860.7 Ų60.725%0.25135%0.348SS..Hα-helixtrans-65-33.2175.9-73.3173.5000111.9V37 Y134V37-L40 WeakPolarHBondContact O-CB 3.36Å; V37-L40 PolarHBondContact O-N 3.02Å; L40-Y134 WeakPolarHBondContact CD1-OH 3.47Å; L40-Y134 HydrophobicContact CD2-CE2 4.1Å; L40-Y134 WeakPolarHBondContact CD2-OH 3.32Å; L40-Y134 HydrophobicContact CG-CE2 3.97Å; L40-Y134 VanDerWaalsContact CG-OH 3.23Å; L40-Y134 WeakPolarHBondContact CG-OH 3.36Å
41T69Low73.1Confident104 Ų10461.4 Ų61.464%0.63836%0.357SS*.Hα-helixtrans-79.2-20.4178.453.70000113.6V37 M38 P39V37-T41 HydrophobicContact CG1-CG2 4.08Å; V37-T41 PolarHBondContact O-N 3.35Å; M38-T41 PolarHBondContact O-N 3.24Å; M38-T41 PolarHBondContact O-OG1 2.75Å; P39-T41 VanDerWaalsContact C-N 3.26Å; P39-T41 PolarHBondContact O-N 3.19Å
42L66.3Low72.3Confident119 Ų11960.4 Ų60.462%0.62335%0.352SS*.Hα-helixtrans-100.4-17179.3-67.9174.2000113.2M38 P39 S44M38-L42 HydrophobicContact CE-CD1 3.31Å; M38-L42 HydrophobicContact CG-CD1 4.4Å; M38-L42 WeakPolarHBondContact O-CG 3.41Å; M38-L42 PolarHBondContact O-N 3.48Å; M38-L42 HydrophobicContact SD-CD1 3.65Å; P39-L42 PolarHBondContact O-N 3.26Å; L42-S44 PolarHBondContact O-N 3.15Å
43A62.8Low71.8Confident27 Ų2765.6 Ų65.622%0.22338%0.384CS..  trans-64.7128.7178.200000110.8P39 D45 V130P39-A43 VanDerWaalsContact O-CB 3.3Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 3.4Å; A43-D45 PolarHBondContact O-N 2.98Å; A43-V130 HydrophobicContact CB-CG2 4.26Å
44S58.6Low71.3Confident135 Ų13569.5 Ų69.594%0.94440%0.4SS*.SBendtrans-59.2-28.8-178.3-46.10000113.6L42L42-S44 PolarHBondContact O-N 3.15Å
45D64.2Low70.7Confident77 Ų7763.1 Ų63.141%0.41237%0.373SS..  trans-152.2102.7172.5-164.4-16.3000111.2A43 T47 V48A43-D45 PolarHBondContact O-N 2.98Å; D45-T47 VanDerWaalsContact CG-OG1 3.25Å; D45-T47 PolarHBondContact O-N 2.84Å; D45-T47 WeakPolarHBondContact OD1-CB 3.45Å; D45-T47 PolarHBondContact OD1-N 3.18Å; D45-T47 VanDerWaalsContact OD1-N 3.09Å; D45-T47 PolarHBondContact OD1-OG1 3.09Å; D45-T47 PolarHBondContact OD2-OG1 2.91Å; D45-V48 HydrophobicContact CB-CG2 3.96Å; D45-V48 PolarHBondContact O-N 3.22Å
46P62.1Low70.3Confident63 Ų6365.8 Ų65.841%0.40938%0.383SS..Hα-helixtrans-66.4-17-18025.2-32.2000112.9C49 L50P46-C49 PolarHBondContact O-N 2.76Å; P46-L50 PolarHBondContact O-N 2.98Å
47T65Low70.3Confident79 Ų7969.9 Ų69.949%0.48541%0.408SS..Hα-helixtrans-73.4-28.8-178.369.40000112.9D45 C49 L50D45-T47 VanDerWaalsContact CG-OG1 3.25Å; D45-T47 PolarHBondContact O-N 2.84Å; D45-T47 WeakPolarHBondContact OD1-CB 3.45Å; D45-T47 PolarHBondContact OD1-N 3.18Å; D45-T47 VanDerWaalsContact OD1-N 3.09Å; D45-T47 PolarHBondContact OD1-OG1 3.09Å; D45-T47 PolarHBondContact OD2-OG1 2.91Å; T47-C49 VanDerWaalsContact C-N 3.28Å; T47-C49 PolarHBondContact O-N 3.31Å; T47-L50 CarbonylContact O-C 3.57Å
48V66.8Low70.4Confident82 Ų8270.2 Ų70.250%0.49740%0.404SS..Hα-helixtrans-66.2-34.1176.5178.40000111.2D45D45-V48 HydrophobicContact CB-CG2 3.96Å; D45-V48 PolarHBondContact O-N 3.22Å
49C65.1Low70.5Confident12 Ų1266.8 Ų66.88%0.08139%0.389CS..Hα-helixtrans-79.9-32.7-176.3-90.30000114.7P46 T47 P51 C126P46-C49 PolarHBondContact O-N 2.76Å; T47-C49 VanDerWaalsContact C-N 3.28Å; T47-C49 PolarHBondContact O-N 3.31Å; C49-P51 WeakPolarHBondContact O-CD 3.25Å; C49-C126 WeakPolarHBondContact CA-SG 3.34Å; C49-C126 HydrophobicContact CB-CB 4.42Å; C49-C126 WeakPolarHBondContact CB-SG 2.87Å; C49-C126 VanDerWaalsContact SG-CA 3.54Å; C49-C126 WeakPolarHBondContact SG-CB 3.32Å; C49-C126 CovalentContact SG-SG 2.04Å; C49-C126 PolarHBondContact SG-SG 3.22Å
50L67Low71.1Confident15 Ų1570.7 Ų70.78%0.07941%0.412CS..  trans-119.879178.3-78.679.8000109.8P46 T47 N52 D55 K56 C59 Y123P46-L50 PolarHBondContact O-N 2.98Å; T47-L50 CarbonylContact O-C 3.57Å; L50-N52 PolarHBondContact O-N 3.27Å; L50-D55 HydrophobicContact CD2-CB 4.39Å; L50-D55 HydrophobicContact CG-CB 4.35Å; L50-K56 HydrophobicContact CB-CG 4Å; L50-K56 HydrophobicContact CD2-CG 4.01Å; L50-K56 WeakPolarHBondContact O-CE 3.32Å; L50-C59 HydrophobicContact CD2-CB 4.14Å; L50-Y123 HydrophobicContact CD1-CE2 4.45Å
51P64Low72Confident87 Ų8771.9 Ų71.957%0.56542%0.418SS*.  trans-68.3-35.8-176.825.5-32.9000112.1C49C49-P51 WeakPolarHBondContact O-CD 3.25Å
52N75.2Confident72.9Confident73 Ų7367.1 Ų67.139%0.3939%0.389SS..SBendtrans-90.7144.1-174-53.9-57.2000112.8L50 I54 D55 K56L50-N52 PolarHBondContact O-N 3.27Å; N52-I54 PolarHBondContact O-N 3.18Å; N52-D55 WeakPolarHBondContact CB-OD2 3.34Å; N52-D55 PolarHBondContact ND2-OD2 3.09Å; N52-D55 PolarHBondContact O-N 3.09Å; N52-K56 PolarHBondContact O-N 3.07Å
53V78.1Confident74Confident112 Ų11264.5 Ų64.568%0.67937%0.373SS*.Hα-helixtrans-56.5-38.1170.7179.60000111.2D55 K56 V57V53-D55 PolarHBondContact O-N 3.09Å; V53-K56 PolarHBondContact O-N 3.4Å; V53-V57 HydrophobicContact CG1-CG2 4.27Å; V53-V57 VanDerWaalsContact O-CG2 3.29Å; V53-V57 WeakPolarHBondContact O-CG2 3.27Å; V53-V57 PolarHBondContact O-N 3.08Å
54I77.9Confident75.3Confident103 Ų10368.6 Ų68.653%0.52839%0.39SS..Hα-helixtrans-59.8-45.6179.2-63.1174.5000111N52 K56 V57 F58N52-I54 PolarHBondContact O-N 3.18Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.34Å; I54-V57 PolarHBondContact O-N 3.44Å; I54-F58 HydrophobicContact CG2-CD2 3.68Å; I54-F58 HydrophobicContact CG2-CE2 3.53Å; I54-F58 VanDerWaalsContact O-CD2 3.26Å; I54-F58 WeakPolarHBondContact O-CD2 3.48Å; I54-F58 PolarHBondContact O-N 3.35Å
55D74.9Confident77Confident1 Ų162.6 Ų62.61%0.00535%0.348CS..Hα-helixtrans-64.9-40.7-178.6-55.5-32000110.1L50 N52 V53 V57 F58 C59 R122L50-D55 HydrophobicContact CD2-CB 4.39Å; L50-D55 HydrophobicContact CG-CB 4.35Å; N52-D55 WeakPolarHBondContact CB-OD2 3.34Å; N52-D55 PolarHBondContact ND2-OD2 3.09Å; N52-D55 PolarHBondContact O-N 3.09Å; V53-D55 PolarHBondContact O-N 3.09Å; D55-V57 PolarHBondContact O-N 3.48Å; D55-F58 PolarHBondContact O-N 3.02Å; D55-C59 PolarHBondContact O-N 3.04Å; D55-R122 IonicContact OD1-NH1 3.44Å; D55-R122 PolarHBondContact OD1-NH1 3.49Å
56K77.3Confident78.2Confident96 Ų9659.3 Ų59.342%0.41733%0.33SS..Hα-helixtrans-61.4-42.9173.9-64.7179.6-173.41760112L50 N52 V53 I54 C59 V60L50-K56 HydrophobicContact CB-CG 4Å; L50-K56 HydrophobicContact CD2-CG 4.01Å; L50-K56 WeakPolarHBondContact O-CE 3.32Å; N52-K56 PolarHBondContact O-N 3.07Å; V53-K56 PolarHBondContact O-N 3.4Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.34Å; K56-C59 PolarHBondContact O-N 2.88Å; K56-V60 WeakPolarHBondContact O-CG2 3.28Å; K56-V60 PolarHBondContact O-N 3.23Å
57V83.4Confident79.6Confident88 Ų8857.8 Ų57.853%0.53333%0.326SS..Hα-helixtrans-62.6-45177.9170.20000111.1V53 I54 D55 C59 V60 L61V53-V57 HydrophobicContact CG1-CG2 4.27Å; V53-V57 VanDerWaalsContact O-CG2 3.29Å; V53-V57 WeakPolarHBondContact O-CG2 3.27Å; V53-V57 PolarHBondContact O-N 3.08Å; I54-V57 PolarHBondContact O-N 3.44Å; D55-V57 PolarHBondContact O-N 3.48Å; V57-C59 PolarHBondContact O-N 3.27Å; V57-V60 PolarHBondContact O-N 3.32Å; V57-L61 VanDerWaalsContact O-CB 3.25Å; V57-L61 WeakPolarHBondContact O-CB 3.4Å; V57-L61 PolarHBondContact O-N 3.3Å
58F83.4Confident81Confident63 Ų6355.3 Ų55.328%0.27631%0.313SS..Hα-helixtrans-63.2-40.6176.9-83.8-71.3000112.5I54 D55 L61 M62 L111 V114 L118I54-F58 HydrophobicContact CG2-CD2 3.68Å; I54-F58 HydrophobicContact CG2-CE2 3.53Å; I54-F58 VanDerWaalsContact O-CD2 3.26Å; I54-F58 WeakPolarHBondContact O-CD2 3.48Å; I54-F58 PolarHBondContact O-N 3.35Å; D55-F58 PolarHBondContact O-N 3.02Å; F58-L61 PolarHBondContact O-N 2.83Å; F58-M62 VanDerWaalsContact O-CB 3.31Å; F58-M62 WeakPolarHBondContact O-CB 3.41Å; F58-M62 PolarHBondContact O-N 3.2Å; F58-L111 HydrophobicContact CD1-CD2 3.96Å; F58-L111 HydrophobicContact CE1-CD2 4.34Å; F58-V114 HydrophobicContact CD1-CG1 4.14Å; F58-V114 HydrophobicContact CE1-CG1 4.06Å; F58-V114 HydrophobicContact CG-CG1 4.46Å; F58-V114 HydrophobicContact CZ-CG1 4.32Å; F58-L118 HydrophobicContact CB-CD1 4.47Å; F58-L118 HydrophobicContact CD2-CD1 4.35Å
59C78.5Confident82.3Confident12 Ų1251.4 Ų51.48%0.08129%0.29CS..Hα-helixtrans-62.9-46.9174.8-75.70000112.3L50 D55 K56 V57 M62 F63L50-C59 HydrophobicContact CD2-CB 4.14Å; D55-C59 PolarHBondContact O-N 3.04Å; K56-C59 PolarHBondContact O-N 2.88Å; V57-C59 PolarHBondContact O-N 3.27Å; C59-M62 WeakPolarHBondContact O-CB 3.32Å; C59-M62 PolarHBondContact O-N 2.89Å; C59-F63 WeakPolarHBondContact O-CD2 3.3Å; C59-F63 PolarHBondContact O-N 2.76Å
60V84.1Confident83.7Confident88 Ų8852.5 Ų52.553%0.53330%0.295SS..Hα-helixtrans-62.4-45.6176.9172.70000111K56 V57 M62 F63 L64K56-V60 WeakPolarHBondContact O-CG2 3.28Å; K56-V60 PolarHBondContact O-N 3.23Å; V57-V60 PolarHBondContact O-N 3.32Å; V60-M62 VanDerWaalsContact C-N 3.28Å; V60-M62 PolarHBondContact O-N 2.65Å; V60-F63 PolarHBondContact O-N 2.87Å; V60-L64 HydrophobicContact CG1-CD1 4.04Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.38Å; V60-L64 PolarHBondContact O-N 3.13Å
61L89.1Confident85Confident73 Ų7356.4 Ų56.438%0.38232%0.319SS..Hα-helixtrans-59.5-39.3178.1-179.860.3000112V57 F58 L64 V65 L111V57-L61 VanDerWaalsContact O-CB 3.25Å; V57-L61 WeakPolarHBondContact O-CB 3.4Å; V57-L61 PolarHBondContact O-N 3.3Å; F58-L61 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-V65 HydrophobicContact CD1-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.49Å; L61-L111 HydrophobicContact CD2-CD1 4.44Å; L61-L111 HydrophobicContact CD2-CD2 3.75Å; L61-L111 HydrophobicContact CG-CD1 4.05Å; L61-L111 HydrophobicContact CG-CD2 4.12Å
62M87.8Confident86.5Confident4 Ų454.4 Ų54.42%0.0230%0.301CS..Hα-helixtrans-60.1-48.5175.7-174.6-83175.100111.7M36 F58 C59 V60 L64 V65 M66 H112M36-M62 HydrophobicContact CE-CE 3.09Å; M36-M62 HydrophobicContact CE-SD 3.77Å; M36-M62 HydrophobicContact SD-CE 3.5Å; M36-M62 VanDerWaalsContact SD-CE 3.5Å; M36-M62 HydrophobicContact SD-SD 4.2Å; F58-M62 VanDerWaalsContact O-CB 3.31Å; F58-M62 WeakPolarHBondContact O-CB 3.41Å; F58-M62 PolarHBondContact O-N 3.2Å; C59-M62 WeakPolarHBondContact O-CB 3.32Å; C59-M62 PolarHBondContact O-N 2.89Å; V60-M62 VanDerWaalsContact C-N 3.28Å; V60-M62 PolarHBondContact O-N 2.65Å; M62-L64 PolarHBondContact O-N 3.17Å; M62-V65 PolarHBondContact O-N 3.07Å; M62-M66 HydrophobicContact CE-CG 3.63Å; M62-M66 HydrophobicContact CE-SD 4.27Å; M62-M66 WeakPolarHBondContact O-CB 3.49Å; M62-M66 VanDerWaalsContact O-CG 3.3Å; M62-M66 WeakPolarHBondContact O-CG 3.33Å; M62-M66 PolarHBondContact O-N 3.38Å; M62-M66 HydrophobicContact SD-CG 3.9Å; M62-H112 WeakPolarHBondContact CE-NE2 3.44Å
63F87.6Confident87.3Confident65 Ų6551 Ų5129%0.28528%0.283SS..Hα-helixtrans-65.6-36.1176.8-73.2-65.3000112.9M36 V37 C59 V60 M66 G67M36-F63 HydrophobicContact CB-CZ 4.26Å; V37-F63 HydrophobicContact CG2-CD1 4.42Å; V37-F63 HydrophobicContact CG2-CE1 3.45Å; V37-F63 VanDerWaalsContact CG2-CE1 3.45Å; V37-F63 HydrophobicContact CG2-CZ 3.59Å; C59-F63 WeakPolarHBondContact O-CD2 3.3Å; C59-F63 PolarHBondContact O-N 2.76Å; V60-F63 PolarHBondContact O-N 2.87Å; F63-M66 PolarHBondContact O-N 3.32Å; F63-G67 PolarHBondContact O-N 3.5Å
64L91.5Very high88Confident112 Ų11249 Ų4959%0.58627%0.271SS*.Hα-helixtrans-63.9-45.7174.9-70.4175.4000111.9V60 L61 M62 G67 A68V60-L64 HydrophobicContact CG1-CD1 4.04Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.38Å; V60-L64 PolarHBondContact O-N 3.13Å; L61-L64 PolarHBondContact O-N 3.01Å; M62-L64 PolarHBondContact O-N 3.17Å; L64-G67 PolarHBondContact O-N 2.71Å; L64-A68 PolarHBondContact O-N 3.36Å
65V92.7Very high88.8Confident10 Ų1045.2 Ų45.26%0.06126%0.255CS..Hα-helixtrans-65.4-40.9177170.50000111L61 M62 A68 L69 F104 I107 L111L61-V65 HydrophobicContact CD1-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.49Å; M62-V65 PolarHBondContact O-N 3.07Å; V65-A68 PolarHBondContact O-N 3.14Å; V65-L69 HydrophobicContact CG1-CD1 4.3Å; V65-L69 WeakPolarHBondContact O-CB 3.37Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.97Å; V65-F104 HydrophobicContact CG1-CD1 4.39Å; V65-I107 HydrophobicContact CG1-CG2 4.42Å; V65-I107 HydrophobicContact CG2-CG2 4.1Å; V65-L111 HydrophobicContact CB-CD1 4.06Å; V65-L111 HydrophobicContact CG1-CD1 4.4Å; V65-L111 HydrophobicContact CG2-CD1 3.75Å
66M90.3Very high89.7Confident8 Ų845.3 Ų45.34%0.03926%0.256CS..Hα-helixtrans-62.6-41.7173.9-74.3-66.1-72.100112R29 C32 M62 F63 L69 L70R29-M66 HydrophobicContact CB-CE 3.81Å; R29-M66 HydrophobicContact CG-CE 3.93Å; C32-M66 HydrophobicContact CB-CE 4.4Å; M62-M66 HydrophobicContact CE-CG 3.63Å; M62-M66 HydrophobicContact CE-SD 4.27Å; M62-M66 WeakPolarHBondContact O-CB 3.49Å; M62-M66 VanDerWaalsContact O-CG 3.3Å; M62-M66 WeakPolarHBondContact O-CG 3.33Å; M62-M66 PolarHBondContact O-N 3.38Å; M62-M66 HydrophobicContact SD-CG 3.9Å; F63-M66 PolarHBondContact O-N 3.32Å; M66-L69 WeakPolarHBondContact O-CB 3.35Å; M66-L69 PolarHBondContact O-N 3.03Å; M66-L69 HydrophobicContact SD-CD1 4.44Å; M66-L70 WeakPolarHBondContact O-CG 3.3Å; M66-L70 PolarHBondContact O-N 2.65Å
67G92.4Very high90.5Very high31 Ų3141.5 Ų41.532%0.3224%0.241SC..Hα-helixtrans-61-46.7174.100000112.5F63 L64 L69 L70 V71F63-G67 PolarHBondContact O-N 3.5Å; L64-G67 PolarHBondContact O-N 2.71Å; G67-L69 VanDerWaalsContact C-N 3.32Å; G67-L69 PolarHBondContact O-N 3.21Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 3.35Å; G67-V71 WeakPolarHBondContact O-CG2 3.26Å; G67-V71 PolarHBondContact O-N 2.68Å
68A94.1Very high91Very high27 Ų2744.2 Ų44.222%0.22324%0.243CC..Hα-helixtrans-59.5-43.5175.300000111.7L64 V65 L70 V71 F72 F104L64-A68 PolarHBondContact O-N 3.36Å; V65-A68 PolarHBondContact O-N 3.14Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.96Å; A68-V71 PolarHBondContact O-N 2.7Å; A68-F72 HydrophobicContact CB-CD2 4.5Å; A68-F72 HydrophobicContact CB-CE2 4.35Å; A68-F72 WeakPolarHBondContact O-CD2 3.29Å; A68-F72 PolarHBondContact O-N 2.72Å; A68-F104 HydrophobicContact CB-CD1 4.31Å; A68-F104 HydrophobicContact CB-CE1 4.21Å
69L94Very high91.4Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-60.2-39.8175.4-84.4179.6000113R29 V65 M66 G67 F72 D73 V101 F104R29-L69 VanDerWaalsContact NH1-CB 3.32Å; R29-L69 PolarHBondContact NH1-O 3.15Å; V65-L69 HydrophobicContact CG1-CD1 4.3Å; V65-L69 WeakPolarHBondContact O-CB 3.37Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.97Å; M66-L69 WeakPolarHBondContact O-CB 3.35Å; M66-L69 PolarHBondContact O-N 3.03Å; M66-L69 HydrophobicContact SD-CD1 4.44Å; G67-L69 VanDerWaalsContact C-N 3.32Å; G67-L69 PolarHBondContact O-N 3.21Å; L69-F72 PolarHBondContact O-N 3.48Å; L69-D73 WeakPolarHBondContact O-CB 3.26Å; L69-D73 PolarHBondContact O-N 2.86Å; L69-V101 HydrophobicContact CD2-CG1 4.49Å; L69-F104 HydrophobicContact CD2-CB 3.37Å; L69-F104 HydrophobicContact CG-CB 3.83Å
70L93.5Very high92.1Very high35 Ų3541 Ų4118%0.18323%0.229CC..Hα-helixtrans-64.4-40.9174.2-70.6170.2000112F26 R29 I30 M66 G67 A68 T74F26-L70 HydrophobicContact CD2-CB 4.31Å; F26-L70 HydrophobicContact CD2-CD2 3.54Å; F26-L70 HydrophobicContact CE2-CB 4.3Å; F26-L70 HydrophobicContact CE2-CD2 3.91Å; F26-L70 HydrophobicContact CG-CD2 4.17Å; R29-L70 HydrophobicContact CB-CD2 3.67Å; R29-L70 HydrophobicContact CB-CG 4.43Å; I30-L70 HydrophobicContact CG1-CD1 4.26Å; I30-L70 HydrophobicContact CG1-CD2 3.85Å; M66-L70 WeakPolarHBondContact O-CG 3.3Å; M66-L70 PolarHBondContact O-N 2.65Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 3.35Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.96Å; L70-T74 WeakPolarHBondContact O-CB 3.24Å; L70-T74 PolarHBondContact O-N 3.17Å; L70-T74 PolarHBondContact O-OG1 3.35Å
71V95.2Very high92.4Very high96 Ų9638.3 Ų38.358%0.58221%0.213SC*.Hα-helixtrans-63.5-48.3175.6173.90000110.6G67 A68 T74 A75G67-V71 WeakPolarHBondContact O-CG2 3.26Å; G67-V71 PolarHBondContact O-N 2.68Å; A68-V71 PolarHBondContact O-N 2.7Å; V71-T74 PolarHBondContact O-N 2.99Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.22Å
72F94.4Very high92.5Very high46 Ų4638.8 Ų38.820%0.20221%0.212CC..Hα-helixtrans-67.1-37.8179.7-71.7-58.6000113.2A68 L69 T74 A75 L76 Y97 A100 V101 F104A68-F72 HydrophobicContact CB-CD2 4.5Å; A68-F72 HydrophobicContact CB-CE2 4.35Å; A68-F72 WeakPolarHBondContact O-CD2 3.29Å; A68-F72 PolarHBondContact O-N 2.72Å; L69-F72 PolarHBondContact O-N 3.48Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.18Å; F72-A75 PolarHBondContact O-N 3.2Å; F72-L76 WeakPolarHBondContact O-CB 3.25Å; F72-L76 PolarHBondContact O-N 3.24Å; F72-Y97 HydrophobicContact CD1-CD1 4.13Å; F72-A100 HydrophobicContact CD1-CB 3.85Å; F72-A100 HydrophobicContact CD2-CB 4.23Å; F72-A100 HydrophobicContact CE1-CB 3.88Å; F72-A100 HydrophobicContact CE2-CB 4.28Å; F72-A100 HydrophobicContact CG-CB 4.04Å; F72-A100 HydrophobicContact CZ-CB 4.11Å; F72-V101 HydrophobicContact CB-CG2 3.7Å; F72-F104 AromaticContact CD2-CD2 3.89Å; F72-F104 HydrophobicContact CD2-CD2 3.89Å; F72-F104 HydrophobicContact CD2-CE2 4.1Å; F72-F104 AromaticContact CE2-CD2 3.57Å; F72-F104 HydrophobicContact CE2-CD2 3.57Å; F72-F104 AromaticContact CE2-CE2 3.3Å; F72-F104 HydrophobicContact CE2-CE2 3.3Å; F72-F104 HydrophobicContact CE2-CG 4.46Å; F72-F104 AromaticContact CE2-CZ 3.98Å; F72-F104 HydrophobicContact CE2-CZ 3.98Å; F72-F104 HydrophobicContact CZ-CD2 4.5Å; F72-F104 AromaticContact CZ-CE2 3.96Å; F72-F104 HydrophobicContact CZ-CE2 3.96Å
73D93Very high92.4Very high0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-62.3-40.9173.1-80.5-12.4000111.6N25 R29 L69 L76 S77N25-D73 WeakPolarHBondContact CB-OD2 3.24Å; R29-D73 WeakPolarHBondContact CD-OD2 3.4Å; R29-D73 IonicContact CZ-OD1 2.91Å; R29-D73 IonicContact CZ-OD2 2.61Å; R29-D73 IonicContact NE-OD2 3.26Å; R29-D73 IonicContact NH1-OD1 3.32Å; R29-D73 PolarHBondContact NH1-OD1 2.79Å; R29-D73 IonicContact NH1-OD2 3.65Å; R29-D73 PolarHBondContact NH1-OD2 3.07Å; L69-D73 WeakPolarHBondContact O-CB 3.26Å; L69-D73 PolarHBondContact O-N 2.86Å; D73-L76 PolarHBondContact O-N 3.47Å; D73-S77 VanDerWaalsContact O-CB 3.27Å; D73-S77 WeakPolarHBondContact O-CB 3.33Å; D73-S77 PolarHBondContact O-N 3.44Å
74T93.8Very high92.3Very high72 Ų7236.4 Ų36.444%0.44221%0.207SC..Hα-helixtrans-65.9-45.8177.8-56.20000110.5L70 V71 F72 L76 S77 Y78L70-T74 WeakPolarHBondContact O-CB 3.24Å; L70-T74 PolarHBondContact O-N 3.17Å; L70-T74 PolarHBondContact O-OG1 3.35Å; V71-T74 PolarHBondContact O-N 2.99Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.18Å; T74-L76 PolarHBondContact O-N 3.08Å; T74-S77 PolarHBondContact O-N 3.05Å; T74-Y78 VanDerWaalsContact O-CB 3.25Å; T74-Y78 WeakPolarHBondContact O-CB 3.39Å; T74-Y78 PolarHBondContact O-N 3.1Å
75A94.5Very high92Very high23 Ų2331 Ų3119%0.1918%0.179CC..Hα-helixtrans-63-40.7176.200000112.4V71 F72 S79 Y97V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.22Å; F72-A75 PolarHBondContact O-N 3.2Å; A75-S79 WeakPolarHBondContact O-CB 3.37Å; A75-S79 PolarHBondContact O-N 3.36Å; A75-S79 PolarHBondContact O-OG 2.84Å; A75-Y97 HydrophobicContact CB-CD1 4.03Å; A75-Y97 HydrophobicContact CB-CD2 4.42Å; A75-Y97 HydrophobicContact CB-CE1 3.91Å; A75-Y97 HydrophobicContact CB-CE2 4.3Å; A75-Y97 HydrophobicContact CB-CG 4.29Å
76L93.3Very high91.5Very high2 Ų233.1 Ų33.11%0.0119%0.189CC..Hα-helixtrans-62.6-50175.3177.863000110.9F18 F72 D73 T74 S79 S80 V94 L98 V101F18-L76 HydrophobicContact CB-CD1 4.15Å; F18-L76 HydrophobicContact CB-CD2 4.32Å; F18-L76 HydrophobicContact CB-CG 4Å; F18-L76 HydrophobicContact CD1-CD2 4.13Å; F18-L76 HydrophobicContact CG-CD1 4.22Å; F18-L76 HydrophobicContact CG-CD2 4.41Å; F18-L76 HydrophobicContact CG-CG 4.4Å; F72-L76 WeakPolarHBondContact O-CB 3.25Å; F72-L76 PolarHBondContact O-N 3.24Å; D73-L76 PolarHBondContact O-N 3.47Å; T74-L76 PolarHBondContact O-N 3.08Å; L76-S79 PolarHBondContact O-N 2.72Å; L76-S80 WeakPolarHBondContact O-CB 3.45Å; L76-S80 PolarHBondContact O-N 3.07Å; L76-V94 HydrophobicContact CD1-CG1 3.88Å; L76-L98 HydrophobicContact CD1-CB 4.4Å; L76-L98 HydrophobicContact CD2-CD1 4.44Å; L76-V101 HydrophobicContact CD2-CG2 4.43Å
77S93.1Very high91.2Very high17 Ų1736 Ų3612%0.11920%0.202CC..Hα-helixtrans-61.7-47178.9-177.20000111.8V19 D73 T74 S80 S81V19-S77 PolarHBondContact O-OG 2.97Å; D73-S77 VanDerWaalsContact O-CB 3.27Å; D73-S77 WeakPolarHBondContact O-CB 3.33Å; D73-S77 PolarHBondContact O-N 3.44Å; T74-S77 PolarHBondContact O-N 3.05Å; S77-S80 PolarHBondContact O-N 2.98Å; S77-S81 WeakPolarHBondContact O-CB 3.44Å; S77-S81 PolarHBondContact O-N 2.77Å; S77-S81 VanDerWaalsContact O-N 3.1Å
78Y93.8Very high90.6Very high145 Ų14537.4 Ų37.457%0.56920%0.204SC*.Hα-helixtrans-63.4-47.9178.5178.6-106.2000111.9T74 S80 S81T74-Y78 VanDerWaalsContact O-CB 3.25Å; T74-Y78 WeakPolarHBondContact O-CB 3.39Å; T74-Y78 PolarHBondContact O-N 3.1Å; Y78-S80 VanDerWaalsContact C-N 3.34Å; Y78-S80 PolarHBondContact O-N 3.12Å; Y78-S81 WeakPolarHBondContact O-CB 3.44Å; Y78-S81 PolarHBondContact O-N 3.02Å; Y78-S81 PolarHBondContact O-OG 2.98Å
79S93Very high90.1Very high6 Ų640.4 Ų40.44%0.04222%0.224CC..Hα-helixtrans-64.9-39.8179.1-58.50000111.7A75 L76 S81 K82 R91 Y97A75-S79 WeakPolarHBondContact O-CB 3.37Å; A75-S79 PolarHBondContact O-N 3.36Å; A75-S79 PolarHBondContact O-OG 2.84Å; L76-S79 PolarHBondContact O-N 2.72Å; S79-S81 PolarHBondContact O-N 2.83Å; S79-K82 PolarHBondContact O-N 2.76Å; S79-R91 WeakPolarHBondContact O-CG 3.38Å; S79-Y97 VanDerWaalsContact OG-CE2 3.26Å; S79-Y97 WeakPolarHBondContact OG-CE2 3.46Å
80S92.5Very high89.8Confident2 Ų244.5 Ų44.51%0.01425%0.245CC..Hα-helixtrans-62.7-21.9173.7176.80000113.1S15 D16 F18 V19 L76 S77 Y78S15-S80 WeakPolarHBondContact O-CB 3.22Å; S15-S80 PolarHBondContact O-OG 3.41Å; D16-S80 WeakPolarHBondContact CA-O 3.28Å; D16-S80 VanDerWaalsContact CA-OG 3.23Å; D16-S80 WeakPolarHBondContact CA-OG 3.43Å; D16-S80 PolarHBondContact O-OG 3.4Å; F18-S80 PolarHBondContact N-OG 3Å; F18-S80 VanDerWaalsContact N-OG 3.12Å; V19-S80 WeakPolarHBondContact CG2-OG 3.32Å; V19-S80 PolarHBondContact N-OG 3.45Å; L76-S80 WeakPolarHBondContact O-CB 3.45Å; L76-S80 PolarHBondContact O-N 3.07Å; S77-S80 PolarHBondContact O-N 2.98Å; Y78-S80 VanDerWaalsContact C-N 3.34Å; Y78-S80 PolarHBondContact O-N 3.12Å
81S91.2Very high89.6Confident30 Ų3043 Ų4321%0.2124%0.237CC..THydrogen-bonded Turntrans-86.5-9.8-176.779.60000114.7S77 Y78 S79 P568S77-S81 WeakPolarHBondContact O-CB 3.44Å; S77-S81 PolarHBondContact O-N 2.77Å; S77-S81 VanDerWaalsContact O-N 3.1Å; Y78-S81 WeakPolarHBondContact O-CB 3.44Å; Y78-S81 PolarHBondContact O-N 3.02Å; Y78-S81 PolarHBondContact O-OG 2.98Å; S79-S81 PolarHBondContact O-N 2.83Å; S81-P568 WeakPolarHBondContact O-CB 3.29Å; S81-P568 VanDerWaalsContact O-CG 3.23Å; S81-P568 WeakPolarHBondContact O-CG 3.29Å
82K90.1Very high89.4Confident83 Ų8342.8 Ų42.836%0.36124%0.24SC..SBendtrans-77135-174-68.5-177.1176.1-177.50112.1S79 L90 R91S79-K82 PolarHBondContact O-N 2.76Å; K82-L90 HydrophobicContact CB-CB 4.24Å; K82-R91 PolarHBondContact O-NH1 3.43Å
83G86.5Confident89.3Confident18 Ų1842.8 Ų42.819%0.18624%0.244CC..SBendtrans73.8175.7169.400000115.9E87 P568G83-E87 WeakPolarHBondContact CA-OE2 3.21Å; G83-P568 WeakPolarHBondContact O-CA 3.22Å
84G86Confident89.3Confident1 Ų142.8 Ų42.81%0.0124%0.244CC..  trans-74.9173.9173.700000113.4M86 E87 R91 C565 K566G84-M86 VanDerWaalsContact C-N 3.28Å; G84-M86 PolarHBondContact O-N 3.35Å; G84-E87 PolarHBondContact N-OE2 3.22Å; G84-E87 PolarHBondContact O-N 3.02Å; G84-R91 PolarHBondContact O-NH1 2.92Å; G84-R91 PolarHBondContact O-NH2 3.24Å; G84-C565 WeakPolarHBondContact CA-O 3.26Å; G84-K566 PolarHBondContact N-O 3.02Å
85V84.6Confident89.2Confident0 Ų041.3 Ų41.30%024%0.236CC..THydrogen-bonded Turntrans-59.6-36.8-174.7-179.90000112.5M1 R91 D248 L562 K569M1-V85 HydrophobicContact CB-CG1 4.22Å; V85-R91 PolarHBondContact O-NH2 3.3Å; V85-D248 HydrophobicContact CG1-CB 4.32Å; V85-L562 HydrophobicContact CB-CD2 4.25Å; V85-L562 HydrophobicContact CG1-CD2 4.15Å; V85-L562 HydrophobicContact CG2-CD2 4.11Å; V85-K569 HydrophobicContact CG2-CB 4.1Å; V85-K569 HydrophobicContact CG2-CD 4.35Å; V85-K569 HydrophobicContact CG2-CG 4.35Å
86M82.2Confident89.3Confident54 Ų5446.4 Ų46.427%0.26625%0.254SS..THydrogen-bonded Turntrans-90.8-13-178.1-64.6-59.8-71.500114.4G84 T88 L562 F635G84-M86 VanDerWaalsContact C-N 3.28Å; G84-M86 PolarHBondContact O-N 3.35Å; M86-T88 VanDerWaalsContact C-N 3.27Å; M86-T88 PolarHBondContact O-N 3.45Å; M86-L562 HydrophobicContact CG-CB 4.34Å; M86-F635 HydrophobicContact CE-CE1 4.37Å; M86-F635 HydrophobicContact CE-CZ 4.3Å
87E83.3Confident89.3Confident68 Ų6849.2 Ų49.232%0.31827%0.265SS..  trans-7869.6178.5-66.6175.5167.900111.8G83 G84 S89 L90 R91G83-E87 WeakPolarHBondContact CA-OE2 3.21Å; G84-E87 PolarHBondContact N-OE2 3.22Å; G84-E87 PolarHBondContact O-N 3.02Å; E87-S89 PolarHBondContact O-N 2.85Å; E87-L90 HydrophobicContact CB-CD1 4.16Å; E87-R91 VanDerWaalsContact O-CZ 3.25Å; E87-R91 PolarHBondContact O-NH1 3.46Å; E87-R91 PolarHBondContact O-NH2 3.04Å
88T81.5Confident89.3Confident60 Ų6048.4 Ų48.437%0.36826%0.259SS..G310 helixtrans-71.2-28.9-172.753.20000114.4M1 P2 M86 L90 R91M1-T88 HydrophobicContact CE-CG2 4.15Å; M1-T88 HydrophobicContact CG-CG2 3.79Å; M1-T88 HydrophobicContact SD-CG2 4.46Å; P2-T88 HydrophobicContact CG-CG2 4.27Å; M86-T88 VanDerWaalsContact C-N 3.27Å; M86-T88 PolarHBondContact O-N 3.45Å; T88-L90 VanDerWaalsContact C-N 3.26Å; T88-L90 PolarHBondContact O-N 3.49Å; T88-R91 PolarHBondContact O-N 3.19Å; T88-R91 VanDerWaalsContact O-N 3.07Å
89S83.6Confident89.3Confident90 Ų9043.5 Ų43.563%0.62925%0.247SC*.G310 helixtrans-60.3-34.2-178.254.70000112.9E87 R91 S92E87-S89 PolarHBondContact O-N 2.85Å; S89-R91 PolarHBondContact O-N 3.48Å; S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact O-OG 2.98Å
90L87.4Confident89.4Confident86 Ų8643.8 Ų43.845%0.4525%0.249SC..G310 helixtrans-67.4-14.4178.9-62.2178.5000113.7K82 E87 T88K82-L90 HydrophobicContact CB-CB 4.24Å; E87-L90 HydrophobicContact CB-CD1 4.16Å; T88-L90 VanDerWaalsContact C-N 3.26Å; T88-L90 PolarHBondContact O-N 3.49Å
91R89.7Confident89.5Confident4 Ų443.7 Ų43.72%0.01525%0.249CC..G310 helixtrans-115.414.8-175.9-60.1-176.1-71.4-89.22.1112.9S15 S79 K82 G84 V85 E87 T88 S89 P93 V94S15-R91 WeakPolarHBondContact OG-CD 3.38Å; S15-R91 PolarHBondContact OG-NE 2.93Å; S15-R91 VanDerWaalsContact OG-NE 3.08Å; S79-R91 WeakPolarHBondContact O-CG 3.38Å; K82-R91 PolarHBondContact O-NH1 3.43Å; G84-R91 PolarHBondContact O-NH1 2.92Å; G84-R91 PolarHBondContact O-NH2 3.24Å; V85-R91 PolarHBondContact O-NH2 3.3Å; E87-R91 VanDerWaalsContact O-CZ 3.25Å; E87-R91 PolarHBondContact O-NH1 3.46Å; E87-R91 PolarHBondContact O-NH2 3.04Å; T88-R91 PolarHBondContact O-N 3.19Å; T88-R91 VanDerWaalsContact O-N 3.07Å; S89-R91 PolarHBondContact O-N 3.48Å; R91-P93 VanDerWaalsContact C-N 3.25Å; R91-V94 HydrophobicContact CB-CG2 4.08Å; R91-V94 WeakPolarHBondContact O-CB 3.23Å; R91-V94 WeakPolarHBondContact O-CG2 3.48Å; R91-V94 PolarHBondContact O-N 2.82Å; R91-V94 VanDerWaalsContact O-N 3.11Å
92S89.2Confident89.6Confident91 Ų9143.1 Ų43.164%0.63625%0.245SC*.THydrogen-bonded Turntrans-53.3-28.7175.467.30000115.4S89 V94 P95S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact O-OG 2.98Å; S92-V94 VanDerWaalsContact C-N 3.33Å; S92-V94 PolarHBondContact O-N 3.37Å; S92-P95 WeakPolarHBondContact O-CD 3.38Å
93P93.1Very high89.8Confident46 Ų4643.2 Ų43.230%0.29925%0.252SS..THydrogen-bonded Turntrans-77.9-10.3178.1-18.334.9000114.9R91 F96 Y97R91-P93 VanDerWaalsContact C-N 3.25Å; P93-F96 WeakPolarHBondContact O-CB 3.38Å; P93-F96 PolarHBondContact O-N 3.17Å; P93-F96 VanDerWaalsContact O-N 3.1Å; P93-Y97 HydrophobicContact CB-CD2 4.03Å; P93-Y97 HydrophobicContact CB-CE2 3.56Å; P93-Y97 WeakPolarHBondContact O-CD2 3.36Å; P93-Y97 PolarHBondContact O-N 3.11Å; P93-Y97 VanDerWaalsContact O-N 3.13Å
94V93.2Very high90.2Very high0 Ų045.3 Ų45.30%026%0.256CS..Hα-helixtrans-57.4-46.3-174.2169.50000113.4F18 L76 R91 S92 F96 Y97 L98F18-V94 HydrophobicContact CD2-CG1 3.95Å; F18-V94 HydrophobicContact CE2-CG1 4.22Å; L76-V94 HydrophobicContact CD1-CG1 3.88Å; R91-V94 HydrophobicContact CB-CG2 4.08Å; R91-V94 WeakPolarHBondContact O-CB 3.23Å; R91-V94 WeakPolarHBondContact O-CG2 3.48Å; R91-V94 PolarHBondContact O-N 2.82Å; R91-V94 VanDerWaalsContact O-N 3.11Å; S92-V94 VanDerWaalsContact C-N 3.33Å; S92-V94 PolarHBondContact O-N 3.37Å; V94-F96 PolarHBondContact O-N 2.9Å; V94-Y97 PolarHBondContact O-N 3.02Å; V94-L98 WeakPolarHBondContact O-CB 3.49Å; V94-L98 PolarHBondContact O-N 3.22Å
95P92.3Very high90.5Very high41 Ų4145.3 Ų45.327%0.26626%0.255SS..Hα-helixtrans-57.3-36.8175.5-23.332.5000113.4L4 F6 S92 S99L4-P95 HydrophobicContact CD1-CG 4.07Å; F6-P95 HydrophobicContact CD2-CB 4.4Å; S92-P95 WeakPolarHBondContact O-CD 3.38Å; P95-S99 WeakPolarHBondContact O-CB 3.46Å; P95-S99 PolarHBondContact O-N 2.83Å
96F94.7Very high90.9Very high130 Ų13050 Ų5057%0.5728%0.28SS*.Hα-helixtrans-65.5-51.4178.2171.8-97.3000110.9P93 V94 L98 S99 A100P93-F96 WeakPolarHBondContact O-CB 3.38Å; P93-F96 PolarHBondContact O-N 3.17Å; P93-F96 VanDerWaalsContact O-N 3.1Å; V94-F96 PolarHBondContact O-N 2.9Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 2.98Å; F96-S99 WeakPolarHBondContact O-CB 3.36Å; F96-S99 PolarHBondContact O-N 2.86Å; F96-S99 VanDerWaalsContact O-N 3.15Å; F96-S99 PolarHBondContact O-OG 2.78Å; F96-A100 PolarHBondContact O-N 3.03Å
97Y94.5Very high91.5Very high61 Ų6151 Ų5124%0.23929%0.286CS..Hα-helixtrans-63.6-38.8178-63.8-52000112.6F72 A75 S79 P93 V94 S99 A100 V101F72-Y97 HydrophobicContact CD1-CD1 4.13Å; A75-Y97 HydrophobicContact CB-CD1 4.03Å; A75-Y97 HydrophobicContact CB-CD2 4.42Å; A75-Y97 HydrophobicContact CB-CE1 3.91Å; A75-Y97 HydrophobicContact CB-CE2 4.3Å; A75-Y97 HydrophobicContact CB-CG 4.29Å; S79-Y97 VanDerWaalsContact OG-CE2 3.26Å; S79-Y97 WeakPolarHBondContact OG-CE2 3.46Å; P93-Y97 HydrophobicContact CB-CD2 4.03Å; P93-Y97 HydrophobicContact CB-CE2 3.56Å; P93-Y97 WeakPolarHBondContact O-CD2 3.36Å; P93-Y97 PolarHBondContact O-N 3.11Å; P93-Y97 VanDerWaalsContact O-N 3.13Å; V94-Y97 PolarHBondContact O-N 3.02Å; Y97-S99 VanDerWaalsContact C-N 3.3Å; Y97-S99 PolarHBondContact O-N 2.75Å; Y97-A100 PolarHBondContact O-N 2.88Å; Y97-V101 WeakPolarHBondContact O-CG2 3.19Å; Y97-V101 PolarHBondContact O-N 2.78Å
98L93.4Very high91.9Very high0 Ų047.9 Ų47.90%027%0.271CS..Hα-helixtrans-60.4-42174.6-177.362.3000111.4L4 F6 F13 F18 L76 V94 F96 A100 V101 C102 F148L4-L98 HydrophobicContact CD2-CD2 3.96Å; F6-L98 HydrophobicContact CD1-CD2 4.08Å; F6-L98 HydrophobicContact CD2-CD2 4.17Å; F6-L98 HydrophobicContact CE1-CD2 4.2Å; F6-L98 HydrophobicContact CE1-CG 4.43Å; F6-L98 HydrophobicContact CE2-CB 4.45Å; F6-L98 HydrophobicContact CE2-CD2 4.28Å; F6-L98 HydrophobicContact CE2-CG 4.29Å; F6-L98 HydrophobicContact CG-CD2 4.07Å; F6-L98 HydrophobicContact CZ-CD2 4.3Å; F6-L98 HydrophobicContact CZ-CG 4.18Å; F13-L98 HydrophobicContact CE2-CD2 4.45Å; F18-L98 HydrophobicContact CD1-CD1 4.44Å; F18-L98 HydrophobicContact CE1-CD1 3.73Å; F18-L98 HydrophobicContact CE1-CD2 4.18Å; F18-L98 HydrophobicContact CE2-CD2 4.38Å; F18-L98 HydrophobicContact CZ-CD1 4.09Å; F18-L98 HydrophobicContact CZ-CD2 3.66Å; F18-L98 HydrophobicContact CZ-CG 4.47Å; L76-L98 HydrophobicContact CD1-CB 4.4Å; L76-L98 HydrophobicContact CD2-CD1 4.44Å; V94-L98 WeakPolarHBondContact O-CB 3.49Å; V94-L98 PolarHBondContact O-N 3.22Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 2.98Å; L98-A100 PolarHBondContact O-N 2.77Å; L98-V101 PolarHBondContact O-N 2.82Å; L98-C102 PolarHBondContact O-N 3.49Å; L98-C102 PolarHBondContact O-SG 3.31Å; L98-C102 VanDerWaalsContact O-SG 3.39Å; L98-F148 HydrophobicContact CD1-CZ 4.47Å
99S94.1Very high92.4Very high43 Ų4346.4 Ų46.430%0.30126%0.264SS..Hα-helixtrans-61.4-43.2175.978.90000112.1P95 F96 Y97 C102 V103P95-S99 WeakPolarHBondContact O-CB 3.46Å; P95-S99 PolarHBondContact O-N 2.83Å; F96-S99 WeakPolarHBondContact O-CB 3.36Å; F96-S99 PolarHBondContact O-N 2.86Å; F96-S99 VanDerWaalsContact O-N 3.15Å; F96-S99 PolarHBondContact O-OG 2.78Å; Y97-S99 VanDerWaalsContact C-N 3.3Å; Y97-S99 PolarHBondContact O-N 2.75Å; S99-C102 WeakPolarHBondContact O-CB 3.41Å; S99-C102 PolarHBondContact O-N 2.75Å; S99-V103 WeakPolarHBondContact O-CG2 3.2Å; S99-V103 PolarHBondContact O-N 3.21Å
100A94.7Very high92.8Very high12 Ų1246.6 Ų46.610%0.09926%0.261CS..Hα-helixtrans-61.6-47.5176.900000110.9F72 F96 Y97 L98 C102 V103 F104F72-A100 HydrophobicContact CD1-CB 3.85Å; F72-A100 HydrophobicContact CD2-CB 4.23Å; F72-A100 HydrophobicContact CE1-CB 3.88Å; F72-A100 HydrophobicContact CE2-CB 4.28Å; F72-A100 HydrophobicContact CG-CB 4.04Å; F72-A100 HydrophobicContact CZ-CB 4.11Å; F96-A100 PolarHBondContact O-N 3.03Å; Y97-A100 PolarHBondContact O-N 2.88Å; L98-A100 PolarHBondContact O-N 2.77Å; A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.33Å; A100-V103 PolarHBondContact O-N 3Å; A100-F104 HydrophobicContact CB-CD2 4.48Å; A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.36Å; A100-F104 PolarHBondContact O-N 2.86Å
101V93.9Very high93Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-58.9-40.7176.6174.80000111.6L69 F72 L76 Y97 L98 S105 F148L69-V101 HydrophobicContact CD2-CG1 4.49Å; F72-V101 HydrophobicContact CB-CG2 3.7Å; L76-V101 HydrophobicContact CD2-CG2 4.43Å; Y97-V101 WeakPolarHBondContact O-CG2 3.19Å; Y97-V101 PolarHBondContact O-N 2.78Å; L98-V101 PolarHBondContact O-N 2.82Å; V101-S105 WeakPolarHBondContact O-CB 3.45Å; V101-S105 PolarHBondContact O-N 3.15Å; V101-S105 PolarHBondContact O-OG 3.29Å; V101-F148 HydrophobicContact CG1-CE1 4.37Å; V101-F148 HydrophobicContact CG1-CE2 4.3Å; V101-F148 HydrophobicContact CG1-CZ 3.89Å
102C93.7Very high93.1Very high18 Ų1842.9 Ų42.912%0.12224%0.241CC..Hα-helixtrans-61-50.8174.2-72.20000111.8L98 S99 A100 S105 L106 Y149L98-C102 PolarHBondContact O-N 3.49Å; L98-C102 PolarHBondContact O-SG 3.31Å; L98-C102 VanDerWaalsContact O-SG 3.39Å; S99-C102 WeakPolarHBondContact O-CB 3.41Å; S99-C102 PolarHBondContact O-N 2.75Å; A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.33Å; C102-S105 WeakPolarHBondContact CA-OG 3.4Å; C102-S105 PolarHBondContact O-N 2.96Å; C102-S105 PolarHBondContact O-OG 3.11Å; C102-L106 PolarHBondContact O-N 3.13Å; C102-Y149 WeakPolarHBondContact CA-OH 3.33Å; C102-Y149 PolarHBondContact O-OH 3.46Å
103V94.4Very high93.2Very high84 Ų8441.6 Ų41.651%0.50923%0.232SC..Hα-helixtrans-61.6-51.2-179.2173.50000111.4S99 A100 S105 L106 I107S99-V103 WeakPolarHBondContact O-CG2 3.2Å; S99-V103 PolarHBondContact O-N 3.21Å; A100-V103 PolarHBondContact O-N 3Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 3.04Å; V103-L106 PolarHBondContact O-N 3.06Å; V103-I107 HydrophobicContact CG1-CD1 4.22Å; V103-I107 PolarHBondContact O-N 2.91Å
104F94.8Very high93.1Very high63 Ų6341.5 Ų41.528%0.27623%0.231SC..Hα-helixtrans-67.2-29.5-178.8-79.9-80.3000112.9V65 A68 L69 F72 A100 I107 S108V65-F104 HydrophobicContact CG1-CD1 4.39Å; A68-F104 HydrophobicContact CB-CD1 4.31Å; A68-F104 HydrophobicContact CB-CE1 4.21Å; L69-F104 HydrophobicContact CD2-CB 3.37Å; L69-F104 HydrophobicContact CG-CB 3.83Å; F72-F104 AromaticContact CD2-CD2 3.89Å; F72-F104 HydrophobicContact CD2-CD2 3.89Å; F72-F104 HydrophobicContact CD2-CE2 4.1Å; F72-F104 AromaticContact CE2-CD2 3.57Å; F72-F104 HydrophobicContact CE2-CD2 3.57Å; F72-F104 AromaticContact CE2-CE2 3.3Å; F72-F104 HydrophobicContact CE2-CE2 3.3Å; F72-F104 HydrophobicContact CE2-CG 4.46Å; F72-F104 AromaticContact CE2-CZ 3.98Å; F72-F104 HydrophobicContact CE2-CZ 3.98Å; F72-F104 HydrophobicContact CZ-CD2 4.5Å; F72-F104 AromaticContact CZ-CE2 3.96Å; F72-F104 HydrophobicContact CZ-CE2 3.96Å; A100-F104 HydrophobicContact CB-CD2 4.48Å; A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.36Å; A100-F104 PolarHBondContact O-N 2.86Å; F104-I107 PolarHBondContact O-N 3.33Å; F104-S108 VanDerWaalsContact O-CB 3.25Å; F104-S108 WeakPolarHBondContact O-CB 3.12Å; F104-S108 PolarHBondContact O-N 2.58Å
105S92.7Very high92.8Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-70.6-31.9175.159.80000112.8V101 C102 V103 S108 S109 Y149V101-S105 WeakPolarHBondContact O-CB 3.45Å; V101-S105 PolarHBondContact O-N 3.15Å; V101-S105 PolarHBondContact O-OG 3.29Å; C102-S105 WeakPolarHBondContact CA-OG 3.4Å; C102-S105 PolarHBondContact O-N 2.96Å; C102-S105 PolarHBondContact O-OG 3.11Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 3.04Å; S105-S108 PolarHBondContact O-N 3.46Å; S105-S109 PolarHBondContact O-N 3.17Å; S105-Y149 WeakPolarHBondContact OG-CE2 3.03Å; S105-Y149 PolarHBondContact OG-OH 2.87Å; S105-Y149 VanDerWaalsContact OG-OH 3.1Å
106L93.2Very high92.6Very high99 Ų9942.4 Ų42.452%0.51823%0.233SC..Hα-helixtrans-66.4-46.7171.8-68.8169.6000111.2C102 V103 S108 S109 V110 Y149C102-L106 PolarHBondContact O-N 3.13Å; V103-L106 PolarHBondContact O-N 3.06Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.32Å; L106-S109 WeakPolarHBondContact O-CB 3.23Å; L106-S109 PolarHBondContact O-N 3.31Å; L106-S109 VanDerWaalsContact O-N 3.13Å; L106-V110 PolarHBondContact O-N 2.93Å; L106-Y149 HydrophobicContact CD2-CE2 3.88Å; L106-Y149 HydrophobicContact CG-CE2 4.3Å; L106-Y149 VanDerWaalsContact CG-OH 3.3Å; L106-Y149 WeakPolarHBondContact CG-OH 3.09Å
107I93.9Very high92.3Very high74 Ų7443.4 Ų43.438%0.37923%0.234SC..Hα-helixtrans-57.9-46.4175.5-62.8170.1000109.7V65 V103 F104 S109 V110 L111V65-I107 HydrophobicContact CG1-CG2 4.42Å; V65-I107 HydrophobicContact CG2-CG2 4.1Å; V103-I107 HydrophobicContact CG1-CD1 4.22Å; V103-I107 PolarHBondContact O-N 2.91Å; F104-I107 PolarHBondContact O-N 3.33Å; I107-S109 VanDerWaalsContact C-N 3.32Å; I107-S109 PolarHBondContact O-N 2.93Å; I107-V110 PolarHBondContact O-N 3.21Å; I107-L111 HydrophobicContact CG2-CD1 4.07Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.94Å
108S92Very high91.9Very high3 Ų341 Ų412%0.02123%0.225CC..Hα-helixtrans-57.9-41.9176.1-175.20000112.2F104 S105 L106 V110 L111 H112F104-S108 VanDerWaalsContact O-CB 3.25Å; F104-S108 WeakPolarHBondContact O-CB 3.12Å; F104-S108 PolarHBondContact O-N 2.58Å; S105-S108 PolarHBondContact O-N 3.46Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.32Å; S108-V110 PolarHBondContact O-N 3.02Å; S108-L111 PolarHBondContact O-N 2.84Å; S108-H112 PolarHBondContact O-N 3.4Å; S108-H112 PolarHBondContact O-ND1 3.31Å; S108-H112 PolarHBondContact OG-CE1 3.45Å; S108-H112 PolarHBondContact OG-ND1 3.12Å
109S91.1Very high91.4Very high29 Ų2941.2 Ų41.220%0.20323%0.226CC..Hα-helixtrans-59.7-44.2176.6-167.30000112.5S105 L106 I107 L111 H112 C113S105-S109 PolarHBondContact O-N 3.17Å; L106-S109 WeakPolarHBondContact O-CB 3.23Å; L106-S109 PolarHBondContact O-N 3.31Å; L106-S109 VanDerWaalsContact O-N 3.13Å; I107-S109 VanDerWaalsContact C-N 3.32Å; I107-S109 PolarHBondContact O-N 2.93Å; S109-L111 VanDerWaalsContact C-N 3.34Å; S109-H112 PolarHBondContact O-N 3.5Å; S109-C113 PolarHBondContact O-N 2.75Å; S109-C113 PolarHBondContact O-SG 3.33Å; S109-C113 VanDerWaalsContact O-SG 3.32Å
110V92.7Very high91Very high94 Ų9443.3 Ų43.357%0.5724%0.237SC*.Hα-helixtrans-62.8-44.4178.1176.60000110.2L106 I107 S108 H112 C113 V114L106-V110 PolarHBondContact O-N 2.93Å; I107-V110 PolarHBondContact O-N 3.21Å; S108-V110 PolarHBondContact O-N 3.02Å; V110-H112 PolarHBondContact O-N 2.92Å; V110-C113 PolarHBondContact O-N 3.24Å; V110-V114 HydrophobicContact CG1-CG2 4.41Å; V110-V114 WeakPolarHBondContact O-CG2 3.29Å; V110-V114 PolarHBondContact O-N 3.31Å
111L91.9Very high90.5Very high10 Ų1047 Ų475%0.05226%0.255CS..Hα-helixtrans-61.6-43.1178-68.6171.3000112.3F58 L61 V65 I107 S108 S109 C113 V114 N115F58-L111 HydrophobicContact CD1-CD2 3.96Å; F58-L111 HydrophobicContact CE1-CD2 4.34Å; L61-L111 HydrophobicContact CD2-CD1 4.44Å; L61-L111 HydrophobicContact CD2-CD2 3.75Å; L61-L111 HydrophobicContact CG-CD1 4.05Å; L61-L111 HydrophobicContact CG-CD2 4.12Å; V65-L111 HydrophobicContact CB-CD1 4.06Å; V65-L111 HydrophobicContact CG1-CD1 4.4Å; V65-L111 HydrophobicContact CG2-CD1 3.75Å; I107-L111 HydrophobicContact CG2-CD1 4.07Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.94Å; S108-L111 PolarHBondContact O-N 2.84Å; S109-L111 VanDerWaalsContact C-N 3.34Å; L111-C113 PolarHBondContact O-N 2.81Å; L111-V114 PolarHBondContact O-N 3.26Å; L111-N115 WeakPolarHBondContact O-CB 3.38Å; L111-N115 VanDerWaalsContact O-CG 3.24Å; L111-N115 PolarHBondContact O-N 2.73Å; L111-N115 PolarHBondContact O-ND2 3.33Å
112H91.4Very high89.8Confident2 Ų252.8 Ų52.81%0.00928%0.277CS..Hα-helixtrans-64.1-39.2176.2-70.4104.9000112.4M62 S108 S109 V110 N115 L116 N138 V142M62-H112 WeakPolarHBondContact CE-NE2 3.44Å; S108-H112 PolarHBondContact O-N 3.4Å; S108-H112 PolarHBondContact O-ND1 3.31Å; S108-H112 PolarHBondContact OG-CE1 3.45Å; S108-H112 PolarHBondContact OG-ND1 3.12Å; S109-H112 PolarHBondContact O-N 3.5Å; V110-H112 PolarHBondContact O-N 2.92Å; H112-N115 PolarHBondContact O-N 3.42Å; H112-L116 WeakPolarHBondContact O-CB 3.39Å; H112-L116 PolarHBondContact O-N 3.13Å; H112-N138 PolarHBondContact CD2-OD1 3.33Å; H112-N138 VanDerWaalsContact CD2-OD1 3.3Å; H112-V142 HydrophobicContact CB-CG2 3.47Å; H112-V142 VanDerWaalsContact CB-CG2 3.47Å
113C91.8Very high89Confident65 Ų6552.4 Ų52.444%0.43927%0.273SS..Hα-helixtrans-65.7-42.6175.9-69.40000112.2S109 V110 L111 L116 Y117S109-C113 PolarHBondContact O-N 2.75Å; S109-C113 PolarHBondContact O-SG 3.33Å; S109-C113 VanDerWaalsContact O-SG 3.32Å; V110-C113 PolarHBondContact O-N 3.24Å; L111-C113 PolarHBondContact O-N 2.81Å; C113-L116 PolarHBondContact O-N 2.87Å; C113-Y117 PolarHBondContact O-N 3.05Å
114V89.8Confident88Confident44 Ų4454 Ų5427%0.26728%0.283SS..Hα-helixtrans-63-45.9175.1172.50000110.3F58 V110 L111 L116 Y117 L118F58-V114 HydrophobicContact CD1-CG1 4.14Å; F58-V114 HydrophobicContact CE1-CG1 4.06Å; F58-V114 HydrophobicContact CG-CG1 4.46Å; F58-V114 HydrophobicContact CZ-CG1 4.32Å; V110-V114 HydrophobicContact CG1-CG2 4.41Å; V110-V114 WeakPolarHBondContact O-CG2 3.29Å; V110-V114 PolarHBondContact O-N 3.31Å; L111-V114 PolarHBondContact O-N 3.26Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 3.17Å; V114-Y117 WeakPolarHBondContact O-CB 3.38Å; V114-Y117 PolarHBondContact O-N 2.81Å; V114-Y117 VanDerWaalsContact O-N 3.16Å; V114-L118 HydrophobicContact CG1-CD1 3.97Å; V114-L118 HydrophobicContact CG1-CG 4.26Å; V114-L118 VanDerWaalsContact O-CG 3.31Å; V114-L118 WeakPolarHBondContact O-CG 3.27Å; V114-L118 PolarHBondContact O-N 2.81Å
115N87.3Confident87.1Confident5 Ų558 Ų583%0.02731%0.307CS..Hα-helixtrans-61.3-41.1177.2-75.3-16.4000112.3L111 H112 Y117 L118 V119 N138L111-N115 WeakPolarHBondContact O-CB 3.38Å; L111-N115 VanDerWaalsContact O-CG 3.24Å; L111-N115 PolarHBondContact O-N 2.73Å; L111-N115 PolarHBondContact O-ND2 3.33Å; H112-N115 PolarHBondContact O-N 3.42Å; N115-Y117 VanDerWaalsContact C-N 3.33Å; N115-Y117 PolarHBondContact O-N 2.98Å; N115-L118 PolarHBondContact O-N 3.38Å; N115-V119 WeakPolarHBondContact O-CB 3.22Å; N115-V119 WeakPolarHBondContact O-CG2 3.47Å; N115-V119 PolarHBondContact O-N 3.39Å; N115-N138 WeakPolarHBondContact CB-OD1 3.36Å
116L89.3Confident86.3Confident55 Ų5558.8 Ų58.829%0.28831%0.312SS..Hα-helixtrans-61.8-42.6175.1-174.663.8000111.4H112 C113 V114 V120 I135H112-L116 WeakPolarHBondContact O-CB 3.39Å; H112-L116 PolarHBondContact O-N 3.13Å; C113-L116 PolarHBondContact O-N 2.87Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 PolarHBondContact O-N 3.17Å; L116-V120 HydrophobicContact CD1-CG2 4.5Å; L116-V120 VanDerWaalsContact O-CG2 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.39Å; L116-V120 PolarHBondContact O-N 2.77Å; L116-V120 VanDerWaalsContact O-N 3.12Å; L116-I135 HydrophobicContact CD1-CG1 4.43Å; L116-I135 HydrophobicContact CD1-CG2 4.22Å
117Y88.5Confident85.7Confident150 Ų15058.8 Ų58.859%0.58831%0.313SS*.Hα-helixtrans-62.2-42.5174.4174.9-90.6000112.3C113 V114 N115 N121C113-Y117 PolarHBondContact O-N 3.05Å; V114-Y117 WeakPolarHBondContact O-CB 3.38Å; V114-Y117 PolarHBondContact O-N 2.81Å; V114-Y117 VanDerWaalsContact O-N 3.16Å; N115-Y117 VanDerWaalsContact C-N 3.33Å; N115-Y117 PolarHBondContact O-N 2.98Å; Y117-N121 WeakPolarHBondContact CD2-ND2 3.46Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.48Å; Y117-N121 WeakPolarHBondContact O-CB 3.1Å; Y117-N121 PolarHBondContact O-N 2.71Å; Y117-N121 VanDerWaalsContact O-N 3.15Å; Y117-N121 PolarHBondContact O-ND2 3.46Å
118L85Confident85.2Confident10 Ų1062.6 Ų62.65%0.05233%0.327CS..Hα-helixtrans-65.7-45.1178.6-68.3173.8000111.5F58 V114 N115 V120 N121 R122F58-L118 HydrophobicContact CB-CD1 4.47Å; F58-L118 HydrophobicContact CD2-CD1 4.35Å; V114-L118 HydrophobicContact CG1-CD1 3.97Å; V114-L118 HydrophobicContact CG1-CG 4.26Å; V114-L118 VanDerWaalsContact O-CG 3.31Å; V114-L118 WeakPolarHBondContact O-CG 3.27Å; V114-L118 PolarHBondContact O-N 2.81Å; N115-L118 PolarHBondContact O-N 3.38Å; L118-V120 PolarHBondContact O-N 2.69Å; L118-N121 PolarHBondContact O-N 3.12Å; L118-R122 WeakPolarHBondContact O-CA 3.44Å; L118-R122 VanDerWaalsContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CB 3.44Å; L118-R122 PolarHBondContact O-N 3.27Å
119V83.3Confident84.7Confident5 Ų569.2 Ų69.23%0.0336%0.357CS..Hα-helixtrans-62-44.5-179.7174.20000111.2N115 Y123 V131 Y134 I135N115-V119 WeakPolarHBondContact O-CB 3.22Å; N115-V119 WeakPolarHBondContact O-CG2 3.47Å; N115-V119 PolarHBondContact O-N 3.39Å; V119-Y123 HydrophobicContact CB-CD2 4.02Å; V119-Y123 HydrophobicContact CB-CE2 4.46Å; V119-Y123 HydrophobicContact CG1-CD2 4.18Å; V119-Y123 HydrophobicContact CG2-CD2 3.56Å; V119-Y123 HydrophobicContact CG2-CE2 3.58Å; V119-Y123 HydrophobicContact CG2-CG 4.47Å; V119-Y123 PolarHBondContact O-N 3.1Å; V119-V131 HydrophobicContact CG1-CG1 3.79Å; V119-Y134 HydrophobicContact CG2-CD1 4.14Å; V119-Y134 HydrophobicContact CG2-CG 4.4Å; V119-I135 HydrophobicContact CG1-CD1 4.17Å; V119-I135 HydrophobicContact CG1-CG1 3.64Å
120V84.9Confident84.3Confident88 Ų8868.4 Ų68.453%0.53335%0.351SS..Hα-helixtrans-68.4-38.7-1791720000112.3L116 L118L116-V120 HydrophobicContact CD1-CG2 4.5Å; L116-V120 VanDerWaalsContact O-CG2 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.39Å; L116-V120 PolarHBondContact O-N 2.77Å; L116-V120 VanDerWaalsContact O-N 3.12Å; L118-V120 PolarHBondContact O-N 2.69Å
121N84.5Confident83.8Confident88 Ų8865.1 Ų65.147%0.47133%0.331SS..Hα-helixtrans-97.2-24.1-171.7-65.3-59.7000114.7Y117 L118Y117-N121 WeakPolarHBondContact CD2-ND2 3.46Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.48Å; Y117-N121 WeakPolarHBondContact O-CB 3.1Å; Y117-N121 PolarHBondContact O-N 2.71Å; Y117-N121 VanDerWaalsContact O-N 3.15Å; Y117-N121 PolarHBondContact O-ND2 3.46Å; L118-N121 PolarHBondContact O-N 3.12Å
122R79.2Confident83.6Confident122 Ų12268.5 Ų68.546%0.4635%0.349SS..Hα-helixtrans-120.7-24.1-170.7-62.7-170.3176179.5-4.3114.9D55 L118 T124D55-R122 IonicContact OD1-NH1 3.44Å; D55-R122 PolarHBondContact OD1-NH1 3.49Å; L118-R122 WeakPolarHBondContact O-CA 3.44Å; L118-R122 VanDerWaalsContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CB 3.44Å; L118-R122 PolarHBondContact O-N 3.27Å; R122-T124 PolarHBondContact O-N 3.33Å
123Y77.9Confident83.4Confident10 Ų1070.3 Ų70.34%0.03936%0.362CS..  trans-90.332.8-173.8-63.91.4000112.8L50 V119 L125 C126L50-Y123 HydrophobicContact CD1-CE2 4.45Å; V119-Y123 HydrophobicContact CB-CD2 4.02Å; V119-Y123 HydrophobicContact CB-CE2 4.46Å; V119-Y123 HydrophobicContact CG1-CD2 4.18Å; V119-Y123 HydrophobicContact CG2-CD2 3.56Å; V119-Y123 HydrophobicContact CG2-CE2 3.58Å; V119-Y123 HydrophobicContact CG2-CG 4.47Å; V119-Y123 PolarHBondContact O-N 3.1Å; Y123-L125 PolarHBondContact O-N 3.34Å; Y123-C126 PolarHBondContact O-N 3.04Å
124T73.6Confident83.1Confident118 Ų11867.7 Ų67.772%0.72434%0.342SS*.THydrogen-bonded Turntrans-66.2-20.6-177.352.90000114R122R122-T124 PolarHBondContact O-N 3.33Å
125L75.5Confident83.1Confident147 Ų14768.1 Ų68.177%0.7734%0.343SS*.THydrogen-bonded Turntrans-91.5-6.8-179.5-69.7162.5000113.8Y123Y123-L125 PolarHBondContact O-N 3.34Å
126C76.2Confident83.2Confident17 Ų1769.9 Ų69.912%0.11536%0.358CS..SBendtrans-76.3157.7-179.7-76.60000112.6C49 Y123 K128 V131C49-C126 WeakPolarHBondContact CA-SG 3.34Å; C49-C126 HydrophobicContact CB-CB 4.42Å; C49-C126 WeakPolarHBondContact CB-SG 2.87Å; C49-C126 VanDerWaalsContact SG-CA 3.54Å; C49-C126 WeakPolarHBondContact SG-CB 3.32Å; C49-C126 CovalentContact SG-SG 2.04Å; C49-C126 PolarHBondContact SG-SG 3.22Å; Y123-C126 PolarHBondContact O-N 3.04Å; C126-K128 PolarHBondContact O-N 2.88Å; C126-V131 HydrophobicContact CB-CG2 3.49Å; C126-V131 VanDerWaalsContact CB-CG2 3.49Å
127D80.6Confident83.2Confident99 Ų9967.3 Ų67.353%0.52934%0.344SS..  trans-55.5130.6164.7-169-26000109.4Q129 V130 V131D127-Q129 PolarHBondContact O-N 2.93Å; D127-Q129 VanDerWaalsContact O-N 3.15Å; D127-Q129 PolarHBondContact OD1-N 3.24Å; D127-V130 HydrophobicContact CB-CG2 4.17Å; D127-V130 WeakPolarHBondContact O-CB 3.49Å; D127-V130 PolarHBondContact O-N 2.68Å; D127-V131 PolarHBondContact O-N 2.72Å; D127-V131 VanDerWaalsContact O-N 3.13Å
128K82.4Confident83.3Confident154 Ų15460.1 Ų60.167%0.6732%0.316SS*.Hα-helixtrans-51.6-37.2178.8-173.7177.3177.9-179.10111.8C126 V130 V131 D132C126-K128 PolarHBondContact O-N 2.88Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.21Å; K128-V131 PolarHBondContact O-N 2.76Å; K128-D132 WeakPolarHBondContact O-CB 3.45Å; K128-D132 PolarHBondContact O-N 3.08Å
129Q82.5Confident83.7Confident142 Ų14262.2 Ų62.266%0.66433%0.332SS*.Hα-helixtrans-63.5-39.2178.7-64-173.63.100112.7D127 C133D127-Q129 PolarHBondContact O-N 2.93Å; D127-Q129 VanDerWaalsContact O-N 3.15Å; D127-Q129 PolarHBondContact OD1-N 3.24Å; Q129-C133 WeakPolarHBondContact O-CB 3.5Å; Q129-C133 PolarHBondContact O-N 3.09Å; Q129-C133 VanDerWaalsContact O-N 3.11Å; Q129-C133 PolarHBondContact O-SG 3.36Å
130V81.4Confident84Confident11 Ų1164.9 Ų64.97%0.06735%0.345CS..Hα-helixtrans-67.4-47.1177.8176.10000109.8P39 A43 D127 K128 D132 C133 Y134P39-V130 HydrophobicContact CB-CB 4.07Å; P39-V130 HydrophobicContact CB-CG1 4.05Å; P39-V130 HydrophobicContact CB-CG2 3.8Å; A43-V130 HydrophobicContact CB-CG2 4.26Å; D127-V130 HydrophobicContact CB-CG2 4.17Å; D127-V130 WeakPolarHBondContact O-CB 3.49Å; D127-V130 PolarHBondContact O-N 2.68Å; K128-V130 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.21Å; V130-D132 PolarHBondContact O-N 3.38Å; V130-C133 PolarHBondContact O-N 3.14Å; V130-Y134 HydrophobicContact CG1-CD2 4Å; V130-Y134 HydrophobicContact CG1-CE2 4.16Å; V130-Y134 WeakPolarHBondContact O-CD2 3.13Å; V130-Y134 PolarHBondContact O-N 3.05Å
131V83.9Confident84.3Confident25 Ų2560.9 Ų60.915%0.15232%0.322CS..Hα-helixtrans-57.8-49177.2176.20000110.7V119 C126 D127 K128 C133 Y134 I135V119-V131 HydrophobicContact CG1-CG1 3.79Å; C126-V131 HydrophobicContact CB-CG2 3.49Å; C126-V131 VanDerWaalsContact CB-CG2 3.49Å; D127-V131 PolarHBondContact O-N 2.72Å; D127-V131 VanDerWaalsContact O-N 3.13Å; K128-V131 PolarHBondContact O-N 2.76Å; V131-C133 VanDerWaalsContact C-N 3.35Å; V131-C133 PolarHBondContact O-N 3.46Å; V131-Y134 PolarHBondContact O-N 3.13Å; V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.38Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 3.25Å
132D86.3Confident84.7Confident82 Ų8258 Ų5844%0.43931%0.307SS..Hα-helixtrans-61.4-41.5-179-73-17.6000111.9K128 V130 I135 A136K128-D132 WeakPolarHBondContact O-CB 3.45Å; K128-D132 PolarHBondContact O-N 3.08Å; V130-D132 PolarHBondContact O-N 3.38Å; D132-I135 PolarHBondContact O-N 3.23Å; D132-A136 VanDerWaalsContact O-CB 3.26Å; D132-A136 WeakPolarHBondContact O-CB 3.48Å; D132-A136 PolarHBondContact O-N 3.03Å
133C87Confident85.3Confident40 Ų4055 Ų5527%0.2731%0.308SS..Hα-helixtrans-67.2-38.5176.4-69.90000112.6I35 P39 Q129 V130 V131 A136 G137I35-C133 WeakPolarHBondContact CG2-O 3.26Å; P39-C133 HydrophobicContact CB-CB 4.28Å; P39-C133 HydrophobicContact CG-CB 3.2Å; Q129-C133 WeakPolarHBondContact O-CB 3.5Å; Q129-C133 PolarHBondContact O-N 3.09Å; Q129-C133 VanDerWaalsContact O-N 3.11Å; Q129-C133 PolarHBondContact O-SG 3.36Å; V130-C133 PolarHBondContact O-N 3.14Å; V131-C133 VanDerWaalsContact C-N 3.35Å; V131-C133 PolarHBondContact O-N 3.46Å; C133-A136 PolarHBondContact O-N 2.97Å; C133-G137 PolarHBondContact O-N 3.08Å
134Y86.5Confident86Confident9 Ų955.5 Ų55.54%0.03531%0.311CS..Hα-helixtrans-64.5-44.8174.3-98.8-95.5000111.9L40 V119 V130 V131 N138L40-Y134 WeakPolarHBondContact CD1-OH 3.47Å; L40-Y134 HydrophobicContact CD2-CE2 4.1Å; L40-Y134 WeakPolarHBondContact CD2-OH 3.32Å; L40-Y134 HydrophobicContact CG-CE2 3.97Å; L40-Y134 VanDerWaalsContact CG-OH 3.23Å; L40-Y134 WeakPolarHBondContact CG-OH 3.36Å; V119-Y134 HydrophobicContact CG2-CD1 4.14Å; V119-Y134 HydrophobicContact CG2-CG 4.4Å; V130-Y134 HydrophobicContact CG1-CD2 4Å; V130-Y134 HydrophobicContact CG1-CE2 4.16Å; V130-Y134 WeakPolarHBondContact O-CD2 3.13Å; V130-Y134 PolarHBondContact O-N 3.05Å; V131-Y134 PolarHBondContact O-N 3.13Å; Y134-N138 WeakPolarHBondContact O-CB 3.34Å; Y134-N138 PolarHBondContact O-N 3.16Å; Y134-N138 PolarHBondContact O-ND2 3.2Å
135I88.8Confident86.8Confident54 Ų5450.2 Ų50.228%0.27728%0.279SS..Hα-helixtrans-60.3-48174.7-67.9172.1000109.6L116 V119 V131 D132 S139L116-I135 HydrophobicContact CD1-CG1 4.43Å; L116-I135 HydrophobicContact CD1-CG2 4.22Å; V119-I135 HydrophobicContact CG1-CD1 4.17Å; V119-I135 HydrophobicContact CG1-CG1 3.64Å; V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.38Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 3.25Å; D132-I135 PolarHBondContact O-N 3.23Å; I135-S139 WeakPolarHBondContact O-CB 3.5Å; I135-S139 PolarHBondContact O-N 2.77Å; I135-S139 PolarHBondContact O-OG 2.92Å
136A90.2Very high87.6Confident42 Ų4248.2 Ų48.235%0.34727%0.268SS..Hα-helixtrans-62.2-51-179.600000112.1D132 C133 S139 I140D132-A136 VanDerWaalsContact O-CB 3.26Å; D132-A136 WeakPolarHBondContact O-CB 3.48Å; D132-A136 PolarHBondContact O-N 3.03Å; C133-A136 PolarHBondContact O-N 2.97Å; A136-S139 PolarHBondContact O-N 3.34Å; A136-I140 WeakPolarHBondContact O-CB 3.16Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.36Å; A136-I140 PolarHBondContact O-N 3.31Å
137G90Very high88.3Confident0 Ų049.1 Ų49.10%028%0.28CS..Hα-helixtrans-59.1-49.1179.200000112.1C32 C133 S139 I140 G141C32-G137 PolarHBondContact SG-O 3.29Å; C133-G137 PolarHBondContact O-N 3.08Å; G137-S139 VanDerWaalsContact C-N 3.34Å; G137-S139 PolarHBondContact O-N 3.09Å; G137-I140 PolarHBondContact O-N 3.41Å; G137-G141 PolarHBondContact O-N 2.87Å
138N90.5Very high88.8Confident0 Ų045 Ų450%026%0.258CS..Hα-helixtrans-66.5-36.6178.8-73.8-86.7000112.4H112 N115 Y134 G141 V142H112-N138 PolarHBondContact CD2-OD1 3.33Å; H112-N138 VanDerWaalsContact CD2-OD1 3.3Å; N115-N138 WeakPolarHBondContact CB-OD1 3.36Å; Y134-N138 WeakPolarHBondContact O-CB 3.34Å; Y134-N138 PolarHBondContact O-N 3.16Å; Y134-N138 PolarHBondContact O-ND2 3.2Å; N138-G141 PolarHBondContact O-N 3.44Å; N138-V142 WeakPolarHBondContact O-CG2 3.24Å; N138-V142 PolarHBondContact O-N 3.4Å
139S91.6Very high89.3Confident54 Ų5440.7 Ų40.738%0.37824%0.237SC..Hα-helixtrans-63.8-42.5175-60.40000111.9I135 A136 G137 G141 A143I135-S139 WeakPolarHBondContact O-CB 3.5Å; I135-S139 PolarHBondContact O-N 2.77Å; I135-S139 PolarHBondContact O-OG 2.92Å; A136-S139 PolarHBondContact O-N 3.34Å; G137-S139 VanDerWaalsContact C-N 3.34Å; G137-S139 PolarHBondContact O-N 3.09Å; S139-G141 VanDerWaalsContact C-N 3.35Å; S139-A143 VanDerWaalsContact O-CB 3.3Å; S139-A143 WeakPolarHBondContact O-CB 3.25Å; S139-A143 PolarHBondContact O-N 3.33Å
140I91.1Very high89.6Confident60 Ų6039.8 Ų39.831%0.30823%0.231SC..Hα-helixtrans-62.8-42.9173.9-68.8164.7000110.4L28 I35 A136 G137 A143 H144L28-I140 HydrophobicContact CD1-CG2 4.28Å; I35-I140 HydrophobicContact CD1-CD1 3.8Å; A136-I140 WeakPolarHBondContact O-CB 3.16Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.36Å; A136-I140 PolarHBondContact O-N 3.31Å; G137-I140 PolarHBondContact O-N 3.41Å; I140-A143 PolarHBondContact O-N 3.28Å; I140-H144 WeakPolarHBondContact O-CB 3.38Å; I140-H144 PolarHBondContact O-N 3.39Å
141G90.9Very high90Very high4 Ų442.3 Ų42.34%0.04124%0.242CC..Hα-helixtrans-60-48.7176.800000113G137 N138 S139 A143 H144 V145G137-G141 PolarHBondContact O-N 2.87Å; N138-G141 PolarHBondContact O-N 3.44Å; S139-G141 VanDerWaalsContact C-N 3.35Å; G141-A143 PolarHBondContact O-N 2.99Å; G141-H144 PolarHBondContact O-N 3.45Å; G141-V145 WeakPolarHBondContact O-CG2 3.31Å; G141-V145 PolarHBondContact O-N 2.89Å
142V92.1Very high90.2Very high27 Ų2741.6 Ų41.616%0.16424%0.237CC..Hα-helixtrans-59.4-47.8173.7174.40000110.6H112 N138 H144 V145 I146H112-V142 HydrophobicContact CB-CG2 3.47Å; H112-V142 VanDerWaalsContact CB-CG2 3.47Å; N138-V142 WeakPolarHBondContact O-CG2 3.24Å; N138-V142 PolarHBondContact O-N 3.4Å; V142-H144 VanDerWaalsContact C-N 3.29Å; V142-H144 PolarHBondContact O-N 2.97Å; V142-V145 PolarHBondContact O-N 2.84Å; V142-I146 HydrophobicContact CG1-CD1 3.66Å; V142-I146 HydrophobicContact CG1-CG1 4.32Å; V142-I146 VanDerWaalsContact O-CG1 3.3Å; V142-I146 WeakPolarHBondContact O-CG1 3.22Å; V142-I146 PolarHBondContact O-N 3.2Å
143A92.2Very high90.3Very high59 Ų5943.7 Ų43.749%0.48825%0.245SC..Hα-helixtrans-60.9-37.2178.700000112.3S139 I140 G141 G147S139-A143 VanDerWaalsContact O-CB 3.3Å; S139-A143 WeakPolarHBondContact O-CB 3.25Å; S139-A143 PolarHBondContact O-N 3.33Å; I140-A143 PolarHBondContact O-N 3.28Å; G141-A143 PolarHBondContact O-N 2.99Å; A143-G147 PolarHBondContact O-N 3.25Å
144H91.8Very high90.1Very high21 Ų2146.2 Ų46.210%0.09726%0.256CS..Hα-helixtrans-65.2-47175.5178.5-142.3000111.8N25 L28 I140 G141 V142 G147 F148N25-H144 PolarHBondContact OD1-NE2 2.68Å; L28-H144 HydrophobicContact CD2-CB 3.88Å; L28-H144 WeakPolarHBondContact CD2-CD2 3.32Å; L28-H144 VanDerWaalsContact CD2-CG 3.5Å; L28-H144 HydrophobicContact CG-CB 4.32Å; I140-H144 WeakPolarHBondContact O-CB 3.38Å; I140-H144 PolarHBondContact O-N 3.39Å; G141-H144 PolarHBondContact O-N 3.45Å; V142-H144 VanDerWaalsContact C-N 3.29Å; V142-H144 PolarHBondContact O-N 2.97Å; H144-G147 CarbonylContact O-C 3.28Å; H144-G147 PolarHBondContact O-N 2.75Å; H144-F148 PolarHBondContact O-N 2.99Å
145V91.8Very high90Very high8 Ų848.2 Ų48.25%0.04827%0.265CS..Hα-helixtrans-62.2-46177.6176.60000110.7G141 V142 G147 F148 Y149G141-V145 WeakPolarHBondContact O-CG2 3.31Å; G141-V145 PolarHBondContact O-N 2.89Å; V142-V145 PolarHBondContact O-N 2.84Å; V145-G147 VanDerWaalsContact C-N 3.29Å; V145-G147 PolarHBondContact O-N 3.36Å; V145-F148 WeakPolarHBondContact O-CB 3.43Å; V145-F148 PolarHBondContact O-N 2.92Å; V145-Y149 HydrophobicContact CG1-CD2 3.8Å; V145-Y149 HydrophobicContact CG1-CE2 3.81Å; V145-Y149 WeakPolarHBondContact O-CD2 3.48Å; V145-Y149 PolarHBondContact O-N 3.43Å
146I91.8Very high89.9Confident105 Ų10549.5 Ų49.554%0.53827%0.268SS..Hα-helixtrans-57.9-45.2174.5-67.4171.1000110.3V142 F148 Y149 F150V142-I146 HydrophobicContact CG1-CD1 3.66Å; V142-I146 HydrophobicContact CG1-CG1 4.32Å; V142-I146 VanDerWaalsContact O-CG1 3.3Å; V142-I146 WeakPolarHBondContact O-CG1 3.22Å; V142-I146 PolarHBondContact O-N 3.2Å; I146-F148 PolarHBondContact O-N 3.12Å; I146-Y149 PolarHBondContact O-N 2.85Å; I146-F150 VanDerWaalsContact O-CB 3.28Å; I146-F150 WeakPolarHBondContact O-CB 3.11Å; I146-F150 PolarHBondContact O-N 3.17Å
147G90.8Very high89.5Confident36 Ų3649.6 Ų49.637%0.37126%0.259SS..Hα-helixtrans-61.3-39.4177.100000113.4A143 H144 V145 F150 F151A143-G147 PolarHBondContact O-N 3.25Å; H144-G147 CarbonylContact O-C 3.28Å; H144-G147 PolarHBondContact O-N 2.75Å; V145-G147 VanDerWaalsContact C-N 3.29Å; V145-G147 PolarHBondContact O-N 3.36Å; G147-F150 PolarHBondContact O-N 3.45Å; G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 3.06Å
148F91.5Very high89.2Confident13 Ų1357.2 Ų57.26%0.05729%0.292CS..Hα-helixtrans-63.4-47.6175.3171.3-102.9000111.9L98 V101 H144 V145 I146 F151 L152L98-F148 HydrophobicContact CD1-CZ 4.47Å; V101-F148 HydrophobicContact CG1-CE1 4.37Å; V101-F148 HydrophobicContact CG1-CE2 4.3Å; V101-F148 HydrophobicContact CG1-CZ 3.89Å; H144-F148 PolarHBondContact O-N 2.99Å; V145-F148 WeakPolarHBondContact O-CB 3.43Å; V145-F148 PolarHBondContact O-N 2.92Å; I146-F148 PolarHBondContact O-N 3.12Å; F148-F151 WeakPolarHBondContact O-CB 3.49Å; F148-F151 PolarHBondContact O-N 2.78Å; F148-L152 HydrophobicContact CD1-CD1 4.25Å; F148-L152 HydrophobicContact CE1-CD1 3.6Å; F148-L152 HydrophobicContact CE1-CG 4.41Å; F148-L152 HydrophobicContact CE2-CD1 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.72Å; F148-L152 HydrophobicContact CZ-CG 4.25Å; F148-L152 PolarHBondContact O-N 2.9Å
149Y91.9Very high88.8Confident63 Ų6358.3 Ų58.325%0.24730%0.299CS..Hα-helixtrans-66.4-38.2176-82-73.4000112.3C102 S105 L106 V145 I146 F151 L152 M153C102-Y149 WeakPolarHBondContact CA-OH 3.33Å; C102-Y149 PolarHBondContact O-OH 3.46Å; S105-Y149 WeakPolarHBondContact OG-CE2 3.03Å; S105-Y149 PolarHBondContact OG-OH 2.87Å; S105-Y149 VanDerWaalsContact OG-OH 3.1Å; L106-Y149 HydrophobicContact CD2-CE2 3.88Å; L106-Y149 HydrophobicContact CG-CE2 4.3Å; L106-Y149 VanDerWaalsContact CG-OH 3.3Å; L106-Y149 WeakPolarHBondContact CG-OH 3.09Å; V145-Y149 HydrophobicContact CG1-CD2 3.8Å; V145-Y149 HydrophobicContact CG1-CE2 3.81Å; V145-Y149 WeakPolarHBondContact O-CD2 3.48Å; V145-Y149 PolarHBondContact O-N 3.43Å; I146-Y149 PolarHBondContact O-N 2.85Å; Y149-F151 VanDerWaalsContact C-N 3.33Å; Y149-F151 PolarHBondContact O-N 3.24Å; Y149-L152 HydrophobicContact CD1-CD1 4.31Å; Y149-L152 HydrophobicContact CE1-CD1 4.42Å; Y149-L152 PolarHBondContact O-N 3.44Å; Y149-M153 WeakPolarHBondContact O-CB 3.42Å; Y149-M153 VanDerWaalsContact O-CG 3.28Å; Y149-M153 WeakPolarHBondContact O-CG 3.14Å; Y149-M153 PolarHBondContact O-N 3.39Å
150F90.1Very high88.4Confident122 Ų12255.7 Ų55.754%0.53528%0.281SS..Hα-helixtrans-60.4-43.5172.7-176.4-105.4000111.3I146 G147 M153 L154I146-F150 VanDerWaalsContact O-CB 3.28Å; I146-F150 WeakPolarHBondContact O-CB 3.11Å; I146-F150 PolarHBondContact O-N 3.17Å; G147-F150 PolarHBondContact O-N 3.45Å; F150-M153 CarbonylContact O-C 3.58Å; F150-M153 WeakPolarHBondContact O-CB 3.44Å; F150-M153 PolarHBondContact O-N 2.83Å; F150-M153 VanDerWaalsContact O-N 3.17Å; F150-L154 HydrophobicContact CD1-CD1 3.88Å; F150-L154 HydrophobicContact CD1-CG 4.16Å; F150-L154 HydrophobicContact CE1-CD1 3.55Å; F150-L154 HydrophobicContact CE1-CD2 4.09Å; F150-L154 HydrophobicContact CE1-CG 3.88Å; F150-L154 HydrophobicContact CE2-CD2 4.5Å; F150-L154 HydrophobicContact CZ-CD1 4.24Å; F150-L154 HydrophobicContact CZ-CD2 3.92Å; F150-L154 HydrophobicContact CZ-CG 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.19Å; F150-L154 PolarHBondContact O-N 2.94Å
151F88.7Confident88.2Confident65 Ų6554.6 Ų54.629%0.28528%0.28SS..Hα-helixtrans-58.9-47173.6171-95.5000112.1T21 G147 F148 Y149 M153 L154 H155T21-F151 HydrophobicContact CG2-CE1 4.18Å; T21-F151 HydrophobicContact CG2-CE2 4.42Å; T21-F151 HydrophobicContact CG2-CZ 3.83Å; G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 3.06Å; F148-F151 WeakPolarHBondContact O-CB 3.49Å; F148-F151 PolarHBondContact O-N 2.78Å; Y149-F151 VanDerWaalsContact C-N 3.33Å; Y149-F151 PolarHBondContact O-N 3.24Å; F151-M153 VanDerWaalsContact C-N 3.29Å; F151-M153 PolarHBondContact O-N 3.48Å; F151-L154 PolarHBondContact O-N 2.85Å; F151-H155 AromaticContact CD2-CD2 3.98Å; F151-H155 AromaticContact CE2-CD2 3.58Å; F151-H155 AromaticContact CE2-NE2 3.43Å; F151-H155 WeakPolarHBondContact CE2-NE2 3.42Å; F151-H155 AromaticContact CZ-CD2 3.81Å; F151-H155 AromaticContact CZ-NE2 3.84Å; F151-H155 PolarHBondContact O-CD2 2.91Å; F151-H155 PolarHBondContact O-N 2.61Å
152L88.5Confident88Confident10 Ų1056.2 Ų56.25%0.05229%0.286CS..Hα-helixtrans-57.6-44.2174-71.5176.5000111.1W11 F13 F148 Y149 L154 H155 Y156W11-L152 HydrophobicContact CZ3-CB 4.35Å; W11-L152 WeakPolarHBondContact CZ3-O 3.41Å; F13-L152 HydrophobicContact CE1-CD2 4.16Å; F13-L152 HydrophobicContact CZ-CD2 4.26Å; F148-L152 HydrophobicContact CD1-CD1 4.25Å; F148-L152 HydrophobicContact CE1-CD1 3.6Å; F148-L152 HydrophobicContact CE1-CG 4.41Å; F148-L152 HydrophobicContact CE2-CD1 4.45Å; F148-L152 HydrophobicContact CZ-CD1 3.72Å; F148-L152 HydrophobicContact CZ-CG 4.25Å; F148-L152 PolarHBondContact O-N 2.9Å; Y149-L152 HydrophobicContact CD1-CD1 4.31Å; Y149-L152 HydrophobicContact CE1-CD1 4.42Å; Y149-L152 PolarHBondContact O-N 3.44Å; L152-L154 PolarHBondContact O-N 3.47Å; L152-H155 CarbonylContact O-C 3.53Å; L152-H155 PolarHBondContact O-N 3.36Å; L152-H155 VanDerWaalsContact O-N 3.12Å; L152-Y156 PolarHBondContact O-N 3.33Å
153M87.5Confident87.6Confident125 Ų12554.9 Ų54.962%0.61628%0.278SS*.Hα-helixtrans-63.1-36.9177.3-71.7-60.7-67.100113.2Y149 F150 F151 H155 Y156Y149-M153 WeakPolarHBondContact O-CB 3.42Å; Y149-M153 VanDerWaalsContact O-CG 3.28Å; Y149-M153 WeakPolarHBondContact O-CG 3.14Å; Y149-M153 PolarHBondContact O-N 3.39Å; F150-M153 CarbonylContact O-C 3.58Å; F150-M153 WeakPolarHBondContact O-CB 3.44Å; F150-M153 PolarHBondContact O-N 2.83Å; F150-M153 VanDerWaalsContact O-N 3.17Å; F151-M153 VanDerWaalsContact C-N 3.29Å; F151-M153 PolarHBondContact O-N 3.48Å; M153-H155 PolarHBondContact O-N 3.38Å; M153-Y156 VanDerWaalsContact O-CB 3.25Å; M153-Y156 WeakPolarHBondContact O-CB 3.36Å; M153-Y156 PolarHBondContact O-N 2.77Å
154L83.9Confident87.3Confident94 Ų9452.4 Ų52.449%0.49226%0.258SS..Hα-helixtrans-64.1-28.8174.7-71.1177.5000112.7F150 F151 L152F150-L154 HydrophobicContact CD1-CD1 3.88Å; F150-L154 HydrophobicContact CD1-CG 4.16Å; F150-L154 HydrophobicContact CE1-CD1 3.55Å; F150-L154 HydrophobicContact CE1-CD2 4.09Å; F150-L154 HydrophobicContact CE1-CG 3.88Å; F150-L154 HydrophobicContact CE2-CD2 4.5Å; F150-L154 HydrophobicContact CZ-CD1 4.24Å; F150-L154 HydrophobicContact CZ-CD2 3.92Å; F150-L154 HydrophobicContact CZ-CG 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.19Å; F150-L154 PolarHBondContact O-N 2.94Å; F151-L154 PolarHBondContact O-N 2.85Å; L152-L154 PolarHBondContact O-N 3.47Å
155H85Confident87.1Confident50 Ų5060 Ų6023%0.23129%0.285CS..THydrogen-bonded Turntrans-97.55.1176.9-73.8-97.5000113.8A12 F13 F151 L152 M153 R157A12-H155 HydrophobicContact CB-CB 4.42Å; A12-H155 VanDerWaalsContact CB-O 3.23Å; A12-H155 WeakPolarHBondContact CB-O 3.24Å; A12-H155 PolarHBondContact N-O 2.9Å; A12-H155 VanDerWaalsContact N-O 3.13Å; F13-H155 HydrophobicContact CD1-CB 3.52Å; F13-H155 AromaticContact CD1-CG 3.99Å; F13-H155 HydrophobicContact CE1-CB 3.82Å; F151-H155 AromaticContact CD2-CD2 3.98Å; F151-H155 AromaticContact CE2-CD2 3.58Å; F151-H155 AromaticContact CE2-NE2 3.43Å; F151-H155 WeakPolarHBondContact CE2-NE2 3.42Å; F151-H155 AromaticContact CZ-CD2 3.81Å; F151-H155 AromaticContact CZ-NE2 3.84Å; F151-H155 PolarHBondContact O-CD2 2.91Å; F151-H155 PolarHBondContact O-N 2.61Å; L152-H155 CarbonylContact O-C 3.53Å; L152-H155 PolarHBondContact O-N 3.36Å; L152-H155 VanDerWaalsContact O-N 3.12Å; M153-H155 PolarHBondContact O-N 3.38Å; H155-R157 PolarHBondContact O-N 3.4Å
156Y86.4Confident86.7Confident82 Ų8260.4 Ų60.432%0.32229%0.287SS..  trans-68.6123.1177.4177.6-102000111.6R9 W11 L152 M153 K158R9-Y156 PolarHBondContact NH1-OH 3.2Å; W11-Y156 HydrophobicContact CH2-CD2 4.02Å; W11-Y156 HydrophobicContact CZ2-CD2 4.48Å; W11-Y156 HydrophobicContact CZ3-CD2 4.08Å; L152-Y156 PolarHBondContact O-N 3.33Å; M153-Y156 VanDerWaalsContact O-CB 3.25Å; M153-Y156 WeakPolarHBondContact O-CB 3.36Å; M153-Y156 PolarHBondContact O-N 2.77Å; Y156-K158 HydrophobicContact CD1-CG 4.37Å; Y156-K158 HydrophobicContact CE1-CG 4.11Å
157R82.4Confident86.2Confident43 Ų4356.9 Ų56.916%0.16227%0.271CS..  trans-91.2107.9176.9-168.2178.9-174.4161.25.3109.5T10 H155 T159 G160 W163T10-R157 WeakPolarHBondContact O-CB 3.46Å; H155-R157 PolarHBondContact O-N 3.4Å; R157-T159 PolarHBondContact NE-OG1 2.98Å; R157-T159 PolarHBondContact O-N 2.75Å; R157-T159 VanDerWaalsContact O-N 3.14Å; R157-G160 WeakPolarHBondContact O-CA 3.37Å; R157-G160 PolarHBondContact O-N 2.85Å; R157-W163 VanDerWaalsContact CZ-CG 3.46Å; R157-W163 VanDerWaalsContact NH2-CD1 3.29Å
158K82.1Confident85.9Confident160 Ų16060.3 Ų60.370%0.69628%0.28SS*.THydrogen-bonded Turntrans-54.7-34.2175.1-68.2-163.1-176.8-178.50113.1Y156 G160Y156-K158 HydrophobicContact CD1-CG 4.37Å; Y156-K158 HydrophobicContact CE1-CG 4.11Å; K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 3.45Å
159T82.6Confident85.5Confident23 Ų2362.5 Ų62.514%0.14129%0.293CS..THydrogen-bonded Turntrans-85.27.2176.9500000113.3R157 A161 F162 W163R157-T159 PolarHBondContact NE-OG1 2.98Å; R157-T159 PolarHBondContact O-N 2.75Å; R157-T159 VanDerWaalsContact O-N 3.14Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.06Å; T159-F162 WeakPolarHBondContact O-CB 3.36Å; T159-F162 PolarHBondContact O-N 3.32Å; T159-W163 VanDerWaalsContact O-CD1 3.28Å; T159-W163 PolarHBondContact O-N 3.33Å
160G84.4Confident84.8Confident0 Ų064.4 Ų64.40%031%0.313CS..Hα-helixtrans-62.7-31.8-168.200000115.2T10 R157 K158 S164T10-G160 PolarHBondContact N-O 3.38Å; T10-G160 WeakPolarHBondContact O-CA 3.29Å; T10-G160 VanDerWaalsContact OG1-CA 3.26Å; T10-G160 WeakPolarHBondContact OG1-CA 3.44Å; T10-G160 PolarHBondContact OG1-O 3.14Å; R157-G160 WeakPolarHBondContact O-CA 3.37Å; R157-G160 PolarHBondContact O-N 2.85Å; K158-G160 VanDerWaalsContact C-N 3.27Å; K158-G160 PolarHBondContact O-N 3.45Å; G160-S164 WeakPolarHBondContact O-CB 3.5Å; G160-S164 PolarHBondContact O-N 3.04Å
161A86.2Confident84.3Confident37 Ų3763 Ų6331%0.30631%0.314SS..Hα-helixtrans-73-30.2174.100000112.9R9 T159 R165R9-A161 HydrophobicContact CG-CB 4.33Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.06Å; A161-R165 WeakPolarHBondContact O-CG 3.47Å; A161-R165 PolarHBondContact O-N 3.48Å; A161-R165 PolarHBondContact O-NE 3.44Å
162F87Confident83.8Confident37 Ų3761 Ų6116%0.16231%0.307CS..Hα-helixtrans-68.9-47.2171.9168-98.8000110.1T159 R165 L166 L189 V190 K193T159-F162 WeakPolarHBondContact O-CB 3.36Å; T159-F162 PolarHBondContact O-N 3.32Å; F162-R165 PolarHBondContact O-N 3.28Å; F162-L166 HydrophobicContact CE1-CD2 3.99Å; F162-L166 HydrophobicContact CZ-CD2 4.12Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; F162-L166 PolarHBondContact O-N 3.18Å; F162-L166 VanDerWaalsContact O-N 3.08Å; F162-L189 HydrophobicContact CE2-CD2 4.39Å; F162-L189 HydrophobicContact CZ-CD2 4.35Å; F162-V190 HydrophobicContact CZ-CG2 4.44Å; F162-K193 HydrophobicContact CD1-CD 3.62Å; F162-K193 HydrophobicContact CD2-CD 4.39Å; F162-K193 HydrophobicContact CE1-CD 3.44Å; F162-K193 VanDerWaalsContact CE1-CD 3.44Å; F162-K193 HydrophobicContact CE2-CD 4.24Å; F162-K193 HydrophobicContact CG-CD 4.09Å; F162-K193 HydrophobicContact CZ-CD 3.77Å
163W83.3Confident83.4Confident0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-64.9-40.6178.5-77.595.4000112.2T10 R157 T159 R165 L166 T167 F173 V190 R194T10-W163 HydrophobicContact CG2-CB 4.03Å; T10-W163 WeakPolarHBondContact OG1-CB 3.41Å; R157-W163 VanDerWaalsContact CZ-CG 3.46Å; R157-W163 VanDerWaalsContact NH2-CD1 3.29Å; T159-W163 VanDerWaalsContact O-CD1 3.28Å; T159-W163 PolarHBondContact O-N 3.33Å; W163-R165 VanDerWaalsContact C-N 3.34Å; W163-R165 PolarHBondContact O-N 3.31Å; W163-L166 HydrophobicContact CE3-CD2 4.21Å; W163-L166 HydrophobicContact CZ3-CD2 4.3Å; W163-L166 WeakPolarHBondContact O-CB 3.19Å; W163-L166 PolarHBondContact O-N 2.95Å; W163-L166 VanDerWaalsContact O-N 3.13Å; W163-T167 WeakPolarHBondContact O-CG2 3.35Å; W163-T167 PolarHBondContact O-N 2.83Å; W163-T167 PolarHBondContact O-OG1 2.95Å; W163-F173 AromaticContact CZ3-CZ 3.89Å; W163-F173 HydrophobicContact CZ3-CZ 3.89Å; W163-V190 HydrophobicContact CH2-CG1 3.47Å; W163-V190 VanDerWaalsContact CH2-CG1 3.47Å; W163-V190 HydrophobicContact CZ2-CG1 4.02Å; W163-V190 HydrophobicContact CZ3-CG1 4.19Å; W163-R194 HydrophobicContact CZ2-CB 4.11Å; W163-R194 HydrophobicContact CZ2-CG 4.48Å
164S85.9Confident82.7Confident7 Ų758.7 Ų58.75%0.04929%0.293CS..Hα-helixtrans-61.5-39.2176.4-170.30000113.2G8 G160 L166 T167 N168G8-S164 PolarHBondContact O-OG 3.4Å; G160-S164 WeakPolarHBondContact O-CB 3.5Å; G160-S164 PolarHBondContact O-N 3.04Å; S164-L166 VanDerWaalsContact C-N 3.34Å; S164-T167 WeakPolarHBondContact CA-OG1 3.46Å; S164-T167 PolarHBondContact O-OG1 3.31Å; S164-N168 VanDerWaalsContact O-CB 3.29Å; S164-N168 WeakPolarHBondContact O-CB 3.33Å; S164-N168 PolarHBondContact O-N 3.48Å; S164-N168 PolarHBondContact O-ND2 3.12Å; S164-N168 PolarHBondContact O-OD1 2.72Å
165R86.6Confident81.9Confident181 Ų18158.3 Ų58.368%0.68329%0.289SS*.Hα-helixtrans-65.6-42174.4-77-174.7-72.7168.1-5.9111.3A161 F162 W163 N168 D169A161-R165 WeakPolarHBondContact O-CG 3.47Å; A161-R165 PolarHBondContact O-N 3.48Å; A161-R165 PolarHBondContact O-NE 3.44Å; F162-R165 PolarHBondContact O-N 3.28Å; W163-R165 VanDerWaalsContact C-N 3.34Å; W163-R165 PolarHBondContact O-N 3.31Å; R165-N168 PolarHBondContact O-N 3.09Å; R165-D169 PolarHBondContact O-N 3.21Å
166L84.5Confident81.2Confident16 Ų1657.5 Ų57.58%0.08429%0.294CS..Hα-helixtrans-67.7-42.4-177.7-164.268.8000112.5F162 W163 S164 N168 D169 V172 F173 V190F162-L166 HydrophobicContact CE1-CD2 3.99Å; F162-L166 HydrophobicContact CZ-CD2 4.12Å; F162-L166 WeakPolarHBondContact O-CB 3.32Å; F162-L166 PolarHBondContact O-N 3.18Å; F162-L166 VanDerWaalsContact O-N 3.08Å; W163-L166 HydrophobicContact CE3-CD2 4.21Å; W163-L166 HydrophobicContact CZ3-CD2 4.3Å; W163-L166 WeakPolarHBondContact O-CB 3.19Å; W163-L166 PolarHBondContact O-N 2.95Å; W163-L166 VanDerWaalsContact O-N 3.13Å; S164-L166 VanDerWaalsContact C-N 3.34Å; L166-N168 VanDerWaalsContact C-N 3.32Å; L166-D169 PolarHBondContact O-N 3.47Å; L166-V172 HydrophobicContact CD1-CB 4.12Å; L166-V172 HydrophobicContact CD1-CG1 3.43Å; L166-V172 VanDerWaalsContact CD1-CG1 3.43Å; L166-V172 HydrophobicContact CG-CG1 4.18Å; L166-F173 HydrophobicContact CB-CD2 4.49Å; L166-F173 HydrophobicContact CD1-CD2 4.48Å; L166-F173 HydrophobicContact CD1-CE2 4.46Å; L166-F173 HydrophobicContact CD2-CD2 4.09Å; L166-F173 HydrophobicContact CD2-CE2 3.4Å; L166-F173 VanDerWaalsContact CD2-CE2 3.4Å; L166-F173 HydrophobicContact CD2-CZ 4.26Å; L166-F173 HydrophobicContact CG-CD2 3.62Å; L166-F173 HydrophobicContact CG-CE2 3.49Å; L166-F173 VanDerWaalsContact CG-CE2 3.49Å; L166-F173 WeakPolarHBondContact O-CD2 3.41Å; L166-V190 HydrophobicContact CD2-CG2 3.61Å
167T81.7Confident80.7Confident31 Ų3154 Ų5419%0.1928%0.282CS..Hα-helixtrans-71.8-26.7178.252.90000113W163 S164W163-T167 WeakPolarHBondContact O-CG2 3.35Å; W163-T167 PolarHBondContact O-N 2.83Å; W163-T167 PolarHBondContact O-OG1 2.95Å; S164-T167 WeakPolarHBondContact CA-OG1 3.46Å; S164-T167 PolarHBondContact O-OG1 3.31Å
168N83.4Confident80.5Confident108 Ų10852.4 Ų52.458%0.57828%0.276SS*.Hα-helixtrans-84.9-11.2177.1-68.9-7.5000112.7S164 R165 L166 P170S164-N168 VanDerWaalsContact O-CB 3.29Å; S164-N168 WeakPolarHBondContact O-CB 3.33Å; S164-N168 PolarHBondContact O-N 3.48Å; S164-N168 PolarHBondContact O-ND2 3.12Å; S164-N168 PolarHBondContact O-OD1 2.72Å; R165-N168 PolarHBondContact O-N 3.09Å; L166-N168 VanDerWaalsContact C-N 3.32Å; N168-P170 VanDerWaalsContact O-CD 3.29Å; N168-P170 WeakPolarHBondContact O-CD 3.34Å
169D83.5Confident80.3Confident59 Ų5946.7 Ų46.732%0.31625%0.253SS..  trans-86.6107.7176.5-172.8-19.6000109.8R165 L166 T171 V172 F173R165-D169 PolarHBondContact O-N 3.21Å; L166-D169 PolarHBondContact O-N 3.47Å; D169-T171 VanDerWaalsContact CG-OG1 3.32Å; D169-T171 PolarHBondContact O-N 2.96Å; D169-T171 WeakPolarHBondContact OD1-CB 3.41Å; D169-T171 PolarHBondContact OD1-N 2.84Å; D169-T171 PolarHBondContact OD1-OG1 2.84Å; D169-T171 PolarHBondContact OD2-OG1 2.85Å; D169-V172 HydrophobicContact CB-CB 4.37Å; D169-V172 HydrophobicContact CB-CG2 4.36Å; D169-V172 PolarHBondContact O-N 2.8Å; D169-V172 WeakPolarHBondContact OD2-CG2 3.27Å; D169-F173 PolarHBondContact O-N 3.34Å
170P78.1Confident79.8Confident103 Ų10348.9 Ų48.967%0.66927%0.268SS*.THydrogen-bonded Turntrans-67.8-18.8-176.929.8-36000113N168N168-P170 VanDerWaalsContact O-CD 3.29Å; N168-P170 WeakPolarHBondContact O-CD 3.34Å
171T78.3Confident79.4Confident93 Ų9354.8 Ų54.857%0.57130%0.299SS*.THydrogen-bonded Turntrans-74.9-33.5177.769.30000111.4D169 N179D169-T171 VanDerWaalsContact CG-OG1 3.32Å; D169-T171 PolarHBondContact O-N 2.96Å; D169-T171 WeakPolarHBondContact OD1-CB 3.41Å; D169-T171 PolarHBondContact OD1-N 2.84Å; D169-T171 PolarHBondContact OD1-OG1 2.84Å; D169-T171 PolarHBondContact OD2-OG1 2.85Å; T171-N179 PolarHBondContact O-ND2 2.58Å
172V79.3Confident79.1Confident21 Ų2153.9 Ų53.913%0.12729%0.29CS..THydrogen-bonded Turntrans-97.4-44-174.6-172.50000112L166 D169 L178 N179 V182 T186L166-V172 HydrophobicContact CD1-CB 4.12Å; L166-V172 HydrophobicContact CD1-CG1 3.43Å; L166-V172 VanDerWaalsContact CD1-CG1 3.43Å; L166-V172 HydrophobicContact CG-CG1 4.18Å; D169-V172 HydrophobicContact CB-CB 4.37Å; D169-V172 HydrophobicContact CB-CG2 4.36Å; D169-V172 PolarHBondContact O-N 2.8Å; D169-V172 WeakPolarHBondContact OD2-CG2 3.27Å; V172-L178 HydrophobicContact CG1-CD1 3.66Å; V172-N179 WeakPolarHBondContact O-CB 3.33Å; V172-N179 PolarHBondContact O-N 2.82Å; V172-V182 HydrophobicContact CB-CG2 4.5Å; V172-V182 HydrophobicContact CG1-CG1 4.31Å; V172-V182 HydrophobicContact CG1-CG2 4.07Å; V172-T186 HydrophobicContact CG1-CG2 4.3Å
173F78.5Confident78.9Confident11 Ų1157.6 Ų57.65%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-113.1119.3173.4-92-103.4000110.4W163 L166 D169 C177 L178 D243W163-F173 AromaticContact CZ3-CZ 3.89Å; W163-F173 HydrophobicContact CZ3-CZ 3.89Å; L166-F173 HydrophobicContact CB-CD2 4.49Å; L166-F173 HydrophobicContact CD1-CD2 4.48Å; L166-F173 HydrophobicContact CD1-CE2 4.46Å; L166-F173 HydrophobicContact CD2-CD2 4.09Å; L166-F173 HydrophobicContact CD2-CE2 3.4Å; L166-F173 VanDerWaalsContact CD2-CE2 3.4Å; L166-F173 HydrophobicContact CD2-CZ 4.26Å; L166-F173 HydrophobicContact CG-CD2 3.62Å; L166-F173 HydrophobicContact CG-CE2 3.49Å; L166-F173 VanDerWaalsContact CG-CE2 3.49Å; L166-F173 WeakPolarHBondContact O-CD2 3.41Å; D169-F173 PolarHBondContact O-N 3.34Å; F173-C177 CarbonylContact C-O 3.6Å; F173-C177 WeakPolarHBondContact CA-O 3.38Å; F173-L178 HydrophobicContact CD2-CD1 3.94Å; F173-L178 HydrophobicContact CE1-CB 4.43Å; F173-L178 HydrophobicContact CE2-CB 4.22Å; F173-L178 HydrophobicContact CE2-CD1 3.45Å; F173-L178 VanDerWaalsContact CE2-CD1 3.45Å; F173-L178 HydrophobicContact CE2-CG 4.45Å; F173-L178 HydrophobicContact CZ-CB 4.05Å; F173-L178 HydrophobicContact CZ-CD1 4.08Å; F173-D243 HydrophobicContact CE1-CB 4.48Å
174K72.6Confident78.7Confident76 Ų7661.5 Ų61.533%0.3333%0.332SS..EExtended strand (participates in β ladder)trans-115.7127.1174-164.5-179.8-174.7-168.60108.7G176 C177 M631K174-G176 PolarHBondContact O-N 3.49Å; K174-G176 VanDerWaalsContact O-N 3.13Å; K174-C177 PolarHBondContact N-O 2.79Å; K174-C177 PolarHBondContact O-N 3.2Å; K174-C177 VanDerWaalsContact O-O 3.04Å; K174-M631 WeakPolarHBondContact CE-O 3.35Å; K174-M631 PolarHBondContact NZ-O 2.84Å
175Q67.3Low78.5Confident87 Ų8764.9 Ų64.941%0.40736%0.355SS..THydrogen-bonded Turntrans52.337175.9-63.5175.5-22.600114.2C177 I633Q175-C177 VanDerWaalsContact C-N 3.27Å; Q175-C177 PolarHBondContact O-N 3.09Å; Q175-I633 HydrophobicContact CB-CD1 4.1Å; Q175-I633 VanDerWaalsContact OE1-CB 3.26Å
176G70.4Confident78.3Confident33 Ų3358.1 Ų58.134%0.3433%0.334SS..THydrogen-bonded Turntrans79.42.8178.800000115.4K174 D243K174-G176 PolarHBondContact O-N 3.49Å; K174-G176 VanDerWaalsContact O-N 3.13Å; G176-D243 PolarHBondContact O-N 3.06Å
177C77.4Confident78.2Confident8 Ų860 Ų605%0.05434%0.342CS..EExtended strand (participates in β ladder)trans-115150.1173.6-59.30000110.5F173 K174 Q175 N179 D241F173-C177 CarbonylContact C-O 3.6Å; F173-C177 WeakPolarHBondContact CA-O 3.38Å; K174-C177 PolarHBondContact N-O 2.79Å; K174-C177 PolarHBondContact O-N 3.2Å; K174-C177 VanDerWaalsContact O-O 3.04Å; Q175-C177 VanDerWaalsContact C-N 3.27Å; Q175-C177 PolarHBondContact O-N 3.09Å; C177-N179 PolarHBondContact O-N 3.34Å; C177-D241 CarbonylContact C-O 3.57Å; C177-D241 WeakPolarHBondContact CA-O 3.4Å
178L78.3Confident78.3Confident10 Ų1063.1 Ų63.15%0.05235%0.354CS..EExtended strand (participates in β ladder)trans-65.9126.9169.2-173.472000108.2V172 F173 V182 K187 Y240 D241V172-L178 HydrophobicContact CG1-CD1 3.66Å; F173-L178 HydrophobicContact CD2-CD1 3.94Å; F173-L178 HydrophobicContact CE1-CB 4.43Å; F173-L178 HydrophobicContact CE2-CB 4.22Å; F173-L178 HydrophobicContact CE2-CD1 3.45Å; F173-L178 VanDerWaalsContact CE2-CD1 3.45Å; F173-L178 HydrophobicContact CE2-CG 4.45Å; F173-L178 HydrophobicContact CZ-CB 4.05Å; F173-L178 HydrophobicContact CZ-CD1 4.08Å; L178-V182 HydrophobicContact CD1-CG1 4.47Å; L178-V182 HydrophobicContact CD1-CG2 4.43Å; L178-K187 HydrophobicContact CD2-CB 4.45Å; L178-K187 HydrophobicContact CD2-CG 3.81Å; L178-Y240 HydrophobicContact CD2-CE2 4.33Å; L178-D241 HydrophobicContact CB-CB 3.93Å; L178-D241 HydrophobicContact CD2-CB 4.5Å; L178-D241 PolarHBondContact N-O 2.85Å
179N76.2Confident78.4Confident40 Ų4061.6 Ų61.621%0.21435%0.346CS..  trans-59.8128.1179.7171.9-0.4000109.7T171 V172 C177 N181 V182T171-N179 PolarHBondContact O-ND2 2.58Å; V172-N179 WeakPolarHBondContact O-CB 3.33Å; V172-N179 PolarHBondContact O-N 2.82Å; C177-N179 PolarHBondContact O-N 3.34Å; N179-N181 PolarHBondContact O-N 3.34Å; N179-N181 VanDerWaalsContact O-N 3.17Å; N179-N181 PolarHBondContact OD1-N 2.76Å; N179-V182 HydrophobicContact CB-CG2 3.72Å; N179-V182 VanDerWaalsContact O-CB 3.31Å; N179-V182 WeakPolarHBondContact O-CB 3.46Å; N179-V182 WeakPolarHBondContact O-CG2 3.45Å; N179-V182 PolarHBondContact O-N 2.75Å; N179-V182 VanDerWaalsContact O-N 3.13Å
180P72Confident78.5Confident68 Ų6858.8 Ų58.844%0.44233%0.331SS..THydrogen-bonded Turntrans-60.2-24.9-178.823-33.6000113.3V182 K187 M631P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 2.82Å; P180-K187 WeakPolarHBondContact O-CE 3.4Å; P180-K187 PolarHBondContact O-NZ 2.75Å; P180-M631 HydrophobicContact CG-SD 4.31Å
181N76.7Confident78.7Confident124 Ų12456.5 Ų56.566%0.66331%0.312SS*.THydrogen-bonded Turntrans-86.35.3-179.2-64.4-11.5000113.6N179N179-N181 PolarHBondContact O-N 3.34Å; N179-N181 VanDerWaalsContact O-N 3.17Å; N179-N181 PolarHBondContact OD1-N 2.76Å
182V80Confident79Confident18 Ų1856.6 Ų56.611%0.10931%0.308CS..SBendtrans-68.7142.5177.3170.50000111.4V172 L178 N179 P180 L184 T186 K187V172-V182 HydrophobicContact CB-CG2 4.5Å; V172-V182 HydrophobicContact CG1-CG1 4.31Å; V172-V182 HydrophobicContact CG1-CG2 4.07Å; L178-V182 HydrophobicContact CD1-CG1 4.47Å; L178-V182 HydrophobicContact CD1-CG2 4.43Å; N179-V182 HydrophobicContact CB-CG2 3.72Å; N179-V182 VanDerWaalsContact O-CB 3.31Å; N179-V182 WeakPolarHBondContact O-CB 3.46Å; N179-V182 WeakPolarHBondContact O-CG2 3.45Å; N179-V182 PolarHBondContact O-N 2.75Å; N179-V182 VanDerWaalsContact O-N 3.13Å; P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 2.82Å; V182-L184 PolarHBondContact O-N 2.81Å; V182-T186 HydrophobicContact CG1-CG2 3.59Å; V182-K187 VanDerWaalsContact O-CE 3.27Å; V182-K187 WeakPolarHBondContact O-CE 3.38Å
183N82.9Confident79.3Confident116 Ų11658.4 Ų58.462%0.6232%0.315SS*.  trans-45.7137.2175.3-65.5-11.6000112.6S185 T186 K187N183-S185 VanDerWaalsContact C-N 3.27Å; N183-S185 PolarHBondContact O-N 3.43Å; N183-T186 WeakPolarHBondContact O-CB 3.47Å; N183-T186 PolarHBondContact O-N 3.32Å; N183-K187 PolarHBondContact O-N 2.91Å; N183-K187 VanDerWaalsContact O-N 3.08Å
184L79Confident79.6Confident82 Ų8258.9 Ų58.943%0.42932%0.316SS..Hα-helixtrans-59.1-37.2-178.5-176.161.2000112.9V182 T186 K187 Q188 Y689V182-L184 PolarHBondContact O-N 2.81Å; L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 3.09Å; L184-K187 WeakPolarHBondContact O-CB 3.33Å; L184-K187 PolarHBondContact O-N 3.37Å; L184-Q188 HydrophobicContact CG-CG 4.49Å; L184-Q188 WeakPolarHBondContact O-CB 3.42Å; L184-Q188 WeakPolarHBondContact O-CG 3.33Å; L184-Q188 PolarHBondContact O-N 2.89Å; L184-Y689 HydrophobicContact CD2-CD1 4.38Å; L184-Y689 HydrophobicContact CD2-CE1 3.41Å; L184-Y689 VanDerWaalsContact CD2-CE1 3.41Å
185S82.4Confident79.8Confident77 Ų7758.9 Ų58.954%0.53831%0.314SS..Hα-helixtrans-60.2-39.7175.455.90000112.2N183 L189N183-S185 VanDerWaalsContact C-N 3.27Å; N183-S185 PolarHBondContact O-N 3.43Å; S185-L189 VanDerWaalsContact O-CB 3.28Å; S185-L189 WeakPolarHBondContact O-CB 3.2Å; S185-L189 PolarHBondContact O-N 2.84Å
186T82.4Confident80.6Confident39 Ų3961.2 Ų61.224%0.23932%0.323CS..Hα-helixtrans-67.5-44.3174.7-57.50000110.8V172 V182 N183 L184 Q188 L189 V190V172-T186 HydrophobicContact CG1-CG2 4.3Å; V182-T186 HydrophobicContact CG1-CG2 3.59Å; N183-T186 WeakPolarHBondContact O-CB 3.47Å; N183-T186 PolarHBondContact O-N 3.32Å; L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 3.09Å; T186-Q188 PolarHBondContact O-N 3.13Å; T186-L189 PolarHBondContact O-N 2.89Å; T186-V190 HydrophobicContact CG2-CG2 4.34Å; T186-V190 WeakPolarHBondContact O-CB 3.43Å; T186-V190 VanDerWaalsContact O-CG2 3.23Å; T186-V190 WeakPolarHBondContact O-CG2 3.43Å; T186-V190 PolarHBondContact O-N 2.55Å
187K82.2Confident81.2Confident55 Ų5560.8 Ų60.824%0.23932%0.316CS..Hα-helixtrans-56.3-48.6174.7-68.9179.1177170.60111.5L178 P180 V182 N183 L184 L189 V190 M191L178-K187 HydrophobicContact CD2-CB 4.45Å; L178-K187 HydrophobicContact CD2-CG 3.81Å; P180-K187 WeakPolarHBondContact O-CE 3.4Å; P180-K187 PolarHBondContact O-NZ 2.75Å; V182-K187 VanDerWaalsContact O-CE 3.27Å; V182-K187 WeakPolarHBondContact O-CE 3.38Å; N183-K187 PolarHBondContact O-N 2.91Å; N183-K187 VanDerWaalsContact O-N 3.08Å; L184-K187 WeakPolarHBondContact O-CB 3.33Å; L184-K187 PolarHBondContact O-N 3.37Å; K187-L189 PolarHBondContact O-N 3.39Å; K187-V190 PolarHBondContact O-N 3.14Å; K187-M191 WeakPolarHBondContact O-CB 3.18Å; K187-M191 PolarHBondContact O-N 3Å
188Q82.7Confident81.4Confident98 Ų9862.4 Ų62.446%0.45833%0.326SS..Hα-helixtrans-61.4-44.4176.5-72.1175-15.200111.6L184 T186 V190 M191 L192L184-Q188 HydrophobicContact CG-CG 4.49Å; L184-Q188 WeakPolarHBondContact O-CB 3.42Å; L184-Q188 WeakPolarHBondContact O-CG 3.33Å; L184-Q188 PolarHBondContact O-N 2.89Å; T186-Q188 PolarHBondContact O-N 3.13Å; Q188-V190 VanDerWaalsContact C-N 3.34Å; Q188-V190 PolarHBondContact O-N 2.78Å; Q188-M191 PolarHBondContact O-N 3.31Å; Q188-L192 VanDerWaalsContact O-CB 3.29Å; Q188-L192 WeakPolarHBondContact O-CB 3.4Å; Q188-L192 WeakPolarHBondContact O-CG 3.33Å; Q188-L192 PolarHBondContact O-N 3.23Å
189L86.6Confident81.5Confident75 Ų7566.6 Ų66.639%0.39335%0.345SS..Hα-helixtrans-61.1-42.8177.7-178.163.8000112.1F162 S185 T186 K187 K193F162-L189 HydrophobicContact CE2-CD2 4.39Å; F162-L189 HydrophobicContact CZ-CD2 4.35Å; S185-L189 VanDerWaalsContact O-CB 3.28Å; S185-L189 WeakPolarHBondContact O-CB 3.2Å; S185-L189 PolarHBondContact O-N 2.84Å; T186-L189 PolarHBondContact O-N 2.89Å; K187-L189 PolarHBondContact O-N 3.39Å; L189-K193 HydrophobicContact CD1-CD 4.28Å; L189-K193 HydrophobicContact CD1-CG 4.36Å; L189-K193 HydrophobicContact CG-CD 4.3Å; L189-K193 WeakPolarHBondContact O-CB 3.22Å; L189-K193 WeakPolarHBondContact O-CG 3.26Å; L189-K193 PolarHBondContact O-N 3.46Å
190V85.4Confident81.8Confident0 Ų069.1 Ų69.10%035%0.351CS..Hα-helixtrans-63.6-49.8177.7171.40000110.4F162 W163 L166 T186 K187 Q188 K193 R194 Y240F162-V190 HydrophobicContact CZ-CG2 4.44Å; W163-V190 HydrophobicContact CH2-CG1 3.47Å; W163-V190 VanDerWaalsContact CH2-CG1 3.47Å; W163-V190 HydrophobicContact CZ2-CG1 4.02Å; W163-V190 HydrophobicContact CZ3-CG1 4.19Å; L166-V190 HydrophobicContact CD2-CG2 3.61Å; T186-V190 HydrophobicContact CG2-CG2 4.34Å; T186-V190 WeakPolarHBondContact O-CB 3.43Å; T186-V190 VanDerWaalsContact O-CG2 3.23Å; T186-V190 WeakPolarHBondContact O-CG2 3.43Å; T186-V190 PolarHBondContact O-N 2.55Å; K187-V190 PolarHBondContact O-N 3.14Å; Q188-V190 VanDerWaalsContact C-N 3.34Å; Q188-V190 PolarHBondContact O-N 2.78Å; V190-K193 PolarHBondContact O-N 3.35Å; V190-R194 WeakPolarHBondContact O-CB 3.32Å; V190-R194 PolarHBondContact O-N 2.86Å; V190-Y240 HydrophobicContact CG1-CD2 4.42Å
191M81.5Confident82.1Confident56 Ų5670.3 Ų70.328%0.27635%0.35SS..Hα-helixtrans-56.7-51.9176.1-173.3-169.9-179.500111.2K187 Q188 K193 R194 R195 Y240K187-M191 WeakPolarHBondContact O-CB 3.18Å; K187-M191 PolarHBondContact O-N 3Å; Q188-M191 PolarHBondContact O-N 3.31Å; M191-K193 PolarHBondContact O-N 2.9Å; M191-R194 PolarHBondContact O-N 3.43Å; M191-R195 WeakPolarHBondContact O-CB 3.38Å; M191-R195 PolarHBondContact O-N 3.06Å; M191-Y240 HydrophobicContact CB-CD2 3.85Å; M191-Y240 HydrophobicContact CB-CE2 4.28Å; M191-Y240 HydrophobicContact CB-CG 4.38Å; M191-Y240 HydrophobicContact CG-CD2 4.35Å; M191-Y240 HydrophobicContact CG-CG 4.41Å
192L84.4Confident82.1Confident95 Ų9565.8 Ų65.850%0.49733%0.325SS..Hα-helixtrans-60.7-43.4179.9-72.6171.8000112.4Q188 R195 K196Q188-L192 VanDerWaalsContact O-CB 3.29Å; Q188-L192 WeakPolarHBondContact O-CB 3.4Å; Q188-L192 WeakPolarHBondContact O-CG 3.33Å; Q188-L192 PolarHBondContact O-N 3.23Å; L192-R195 PolarHBondContact O-N 3.26Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.37Å; L192-K196 PolarHBondContact O-N 3.18Å
193K86.2Confident82.1Confident59 Ų5969.2 Ų69.226%0.25734%0.34SS..Hα-helixtrans-66.8-36.6177.9-80.6-177.7178.51760112.3F162 L189 V190 M191 A197F162-K193 HydrophobicContact CD1-CD 3.62Å; F162-K193 HydrophobicContact CD2-CD 4.39Å; F162-K193 HydrophobicContact CE1-CD 3.44Å; F162-K193 VanDerWaalsContact CE1-CD 3.44Å; F162-K193 HydrophobicContact CE2-CD 4.24Å; F162-K193 HydrophobicContact CG-CD 4.09Å; F162-K193 HydrophobicContact CZ-CD 3.77Å; L189-K193 HydrophobicContact CD1-CD 4.28Å; L189-K193 HydrophobicContact CD1-CG 4.36Å; L189-K193 HydrophobicContact CG-CD 4.3Å; L189-K193 WeakPolarHBondContact O-CB 3.22Å; L189-K193 WeakPolarHBondContact O-CG 3.26Å; L189-K193 PolarHBondContact O-N 3.46Å; V190-K193 PolarHBondContact O-N 3.35Å; M191-K193 PolarHBondContact O-N 2.9Å; K193-A197 WeakPolarHBondContact O-CB 3.25Å; K193-A197 PolarHBondContact O-N 3.36Å; K193-A197 VanDerWaalsContact O-N 3.1Å
194R84.3Confident81.8Confident21 Ų2167.1 Ų67.18%0.07933%0.334CS..Hα-helixtrans-67.1-48.8175.6-164.8177.3-178.5138.4-6.8110.6W163 V190 M191 K196 A197 V198 F239 Y240 V242W163-R194 HydrophobicContact CZ2-CB 4.11Å; W163-R194 HydrophobicContact CZ2-CG 4.48Å; V190-R194 WeakPolarHBondContact O-CB 3.32Å; V190-R194 PolarHBondContact O-N 2.86Å; M191-R194 PolarHBondContact O-N 3.43Å; R194-K196 PolarHBondContact O-N 3.06Å; R194-A197 WeakPolarHBondContact O-CA 3.47Å; R194-A197 WeakPolarHBondContact O-CB 3.32Å; R194-A197 PolarHBondContact O-N 2.83Å; R194-V198 PolarHBondContact O-N 2.92Å; R194-F239 PolarHBondContact NH1-O 3.19Å; R194-F239 PolarHBondContact NH2-O 3.14Å; R194-Y240 VanDerWaalsContact CD-CA 3.49Å; R194-Y240 VanDerWaalsContact NH1-C 3.32Å; R194-Y240 PolarHBondContact NH1-O 3.38Å; R194-V242 PolarHBondContact NH1-O 3.43Å
195R77.4Confident81.4Confident75 Ų7567.7 Ų67.728%0.28334%0.337SS..Hα-helixtrans-55.3-50.7175.9-170.7172.3-177.6177.32.7111.9M191 L192 A197 V198 Q199M191-R195 WeakPolarHBondContact O-CB 3.38Å; M191-R195 PolarHBondContact O-N 3.06Å; L192-R195 PolarHBondContact O-N 3.26Å; R195-A197 PolarHBondContact O-N 3.04Å; R195-V198 PolarHBondContact O-N 3.34Å; R195-Q199 WeakPolarHBondContact O-CB 3.29Å; R195-Q199 PolarHBondContact O-N 2.67Å
196K84.6Confident80.8Confident137 Ų13768 Ų6860%0.59633%0.327SS*.Hα-helixtrans-60.1-31.1175-74.4-178.5179.6-178.10113.1L192 R194 R200L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.37Å; L192-K196 PolarHBondContact O-N 3.18Å; R194-K196 PolarHBondContact O-N 3.06Å; K196-R200 WeakPolarHBondContact O-CB 3.3Å; K196-R200 VanDerWaalsContact O-CG 3.29Å; K196-R200 WeakPolarHBondContact O-CG 3.35Å; K196-R200 PolarHBondContact O-N 3.27Å; K196-R200 PolarHBondContact O-NE 3.07Å
197A83.1Confident80.3Confident24 Ų2469 Ų6920%0.19834%0.339CS..Hα-helixtrans-72.3-44.5176.800000111.9K193 R194 R195 K201K193-A197 WeakPolarHBondContact O-CB 3.25Å; K193-A197 PolarHBondContact O-N 3.36Å; K193-A197 VanDerWaalsContact O-N 3.1Å; R194-A197 WeakPolarHBondContact O-CA 3.47Å; R194-A197 WeakPolarHBondContact O-CB 3.32Å; R194-A197 PolarHBondContact O-N 2.83Å; R195-A197 PolarHBondContact O-N 3.04Å; A197-K201 PolarHBondContact O-N 3.05Å; A197-K201 VanDerWaalsContact O-N 3.14Å
198V80.4Confident79.7Confident42 Ų4273.2 Ų73.226%0.25536%0.358SS..Hα-helixtrans-64.3-46.6176.7173.60000110.8R194 R195 R200 K201 L202R194-V198 PolarHBondContact O-N 2.92Å; R195-V198 PolarHBondContact O-N 3.34Å; V198-R200 PolarHBondContact O-N 2.91Å; V198-K201 PolarHBondContact O-N 2.96Å; V198-L202 WeakPolarHBondContact O-CB 3.48Å; V198-L202 PolarHBondContact O-N 3.35Å
199Q80.8Confident78.8Confident98 Ų9874 Ų7446%0.45836%0.357SS..Hα-helixtrans-57.4-47178.1-176.5177.8-11.100112.2R195 K201 L202 E203R195-Q199 WeakPolarHBondContact O-CB 3.29Å; R195-Q199 PolarHBondContact O-N 2.67Å; Q199-K201 PolarHBondContact O-N 3.38Å; Q199-L202 WeakPolarHBondContact O-CB 3.25Å; Q199-L202 PolarHBondContact O-N 2.93Å; Q199-E203 HydrophobicContact CG-CG 4.47Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.46Å; Q199-E203 PolarHBondContact NE2-OE1 3.43Å; Q199-E203 WeakPolarHBondContact O-CB 3.23Å; Q199-E203 WeakPolarHBondContact O-CG 3.35Å; Q199-E203 PolarHBondContact O-N 3.14Å
200R82.2Confident77.6Confident92 Ų9280.4 Ų80.435%0.34738%0.375SS..Hα-helixtrans-61.2-42.3176.4-77.2178.3-69.3159.2-3.2113K196 V198 L202 E203 S204K196-R200 WeakPolarHBondContact O-CB 3.3Å; K196-R200 VanDerWaalsContact O-CG 3.29Å; K196-R200 WeakPolarHBondContact O-CG 3.35Å; K196-R200 PolarHBondContact O-N 3.27Å; K196-R200 PolarHBondContact O-NE 3.07Å; V198-R200 PolarHBondContact O-N 2.91Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.03Å; R200-E203 PolarHBondContact O-N 3.11Å; R200-S204 WeakPolarHBondContact O-CB 3.26Å; R200-S204 PolarHBondContact O-N 3.38Å
201K79.7Confident76.4Confident94 Ų9485.3 Ų85.341%0.40940%0.401SS..Hα-helixtrans-64.3-39.1177.6-171.2168.9-175.2174.10110.6A197 V198 Q199 S204 L205A197-K201 PolarHBondContact O-N 3.05Å; A197-K201 VanDerWaalsContact O-N 3.14Å; V198-K201 PolarHBondContact O-N 2.96Å; Q199-K201 PolarHBondContact O-N 3.38Å; K201-S204 PolarHBondContact O-N 3.49Å; K201-L205 WeakPolarHBondContact O-CG 3.3Å; K201-L205 PolarHBondContact O-N 3.45Å
202L76.6Confident74.9Confident29 Ų2988.4 Ų88.415%0.15243%0.425CS..Hα-helixtrans-67-45.5177.3-165.860.6000112.3V198 Q199 R200 S204 L205 R206 T229V198-L202 WeakPolarHBondContact O-CB 3.48Å; V198-L202 PolarHBondContact O-N 3.35Å; Q199-L202 WeakPolarHBondContact O-CB 3.25Å; Q199-L202 PolarHBondContact O-N 2.93Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.03Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.4Å; L202-L205 PolarHBondContact O-N 2.87Å; L202-R206 VanDerWaalsContact O-CG 3.28Å; L202-R206 WeakPolarHBondContact O-CG 3.18Å; L202-R206 PolarHBondContact O-N 3.49Å; L202-T229 HydrophobicContact CD1-CG2 3.39Å; L202-T229 VanDerWaalsContact CD2-CB 3.43Å; L202-T229 HydrophobicContact CD2-CG2 3.57Å; L202-T229 HydrophobicContact CG-CG2 3.67Å
203E79Confident73.3Confident89 Ų8993.5 Ų93.542%0.41644%0.444SS..Hα-helixtrans-58.6-41.9173.9-74.1166.3-177.800111.9Q199 R200 R206 A207Q199-E203 HydrophobicContact CG-CG 4.47Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.46Å; Q199-E203 PolarHBondContact NE2-OE1 3.43Å; Q199-E203 WeakPolarHBondContact O-CB 3.23Å; Q199-E203 WeakPolarHBondContact O-CG 3.35Å; Q199-E203 PolarHBondContact O-N 3.14Å; R200-E203 PolarHBondContact O-N 3.11Å; E203-R206 WeakPolarHBondContact O-CB 3.23Å; E203-R206 PolarHBondContact O-N 3.2Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.03Å
204S76.5Confident71.3Confident72 Ų7294.4 Ų94.450%0.50346%0.457SS..Hα-helixtrans-62.1-44.9174175.10000112.3R200 K201 L202 R206 A207 F208R200-S204 WeakPolarHBondContact O-CB 3.26Å; R200-S204 PolarHBondContact O-N 3.38Å; K201-S204 PolarHBondContact O-N 3.49Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.4Å; S204-R206 VanDerWaalsContact C-N 3.33Å; S204-R206 PolarHBondContact O-N 3.17Å; S204-A207 PolarHBondContact O-N 3.48Å; S204-F208 PolarHBondContact O-N 3.26Å
205L71.5Confident69.3Low94 Ų94103.2 Ų103.249%0.49250%0.496SS..Hα-helixtrans-63.9-37.9175.4-72.2170.7000112.3K201 L202 F208 R209K201-L205 WeakPolarHBondContact O-CG 3.3Å; K201-L205 PolarHBondContact O-N 3.45Å; L202-L205 PolarHBondContact O-N 2.87Å; L205-F208 PolarHBondContact O-N 2.87Å; L205-R209 PolarHBondContact O-N 3.4Å
206R69.9Low67.8Low85 Ų85104.3 Ų104.332%0.32151%0.511SS..Hα-helixtrans-62.5-45.8173.6-72.6-175.1178.2151.51.9111.4L202 E203 S204 F208 R209 R210 E225L202-R206 VanDerWaalsContact O-CG 3.28Å; L202-R206 WeakPolarHBondContact O-CG 3.18Å; L202-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact O-CB 3.23Å; E203-R206 PolarHBondContact O-N 3.2Å; S204-R206 VanDerWaalsContact C-N 3.33Å; S204-R206 PolarHBondContact O-N 3.17Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 3.07Å; R206-R209 PolarHBondContact O-N 3.3Å; R206-R210 WeakPolarHBondContact O-CG 3.49Å; R206-R210 PolarHBondContact O-N 3.46Å; R206-E225 WeakPolarHBondContact CD-OE1 3.45Å; R206-E225 VanDerWaalsContact CG-OE1 3.24Å; R206-E225 WeakPolarHBondContact CG-OE1 3.39Å; R206-E225 IonicContact NE-OE1 3.38Å; R206-E225 PolarHBondContact NE-OE1 3.09Å
207A71.8Confident66.3Low60 Ų60101.5 Ų101.550%0.49650%0.502SS..Hα-helixtrans-61.5-42.8177.100000111.6E203 S204 R210E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.03Å; S204-A207 PolarHBondContact O-N 3.48Å; A207-R210 PolarHBondContact O-N 3.23Å
208F68.6Low64.8Low143 Ų143111.3 Ų111.363%0.62753%0.534SS*.Hα-helixtrans-64.1-40.5177.6-170.5-96.2000112.8S204 L205 R206 R210 L211S204-F208 PolarHBondContact O-N 3.26Å; L205-F208 PolarHBondContact O-N 2.87Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 3.07Å; F208-R210 VanDerWaalsContact C-N 3.28Å; F208-R210 PolarHBondContact O-N 2.79Å; F208-L211 HydrophobicContact CD2-CD1 4.47Å; F208-L211 WeakPolarHBondContact O-CD1 3.39Å; F208-L211 PolarHBondContact O-N 3.35Å
209R64Low63.4Low115 Ų115110.4 Ų110.443%0.43453%0.529SS..Hα-helixtrans-72.1-15.1177.9-85.4-178.7179.9177.33.3114.7L205 R206 L211 M221L205-R209 PolarHBondContact O-N 3.4Å; R206-R209 PolarHBondContact O-N 3.3Å; R209-L211 PolarHBondContact O-N 3.19Å; R209-M221 HydrophobicContact CB-CE 3.8Å; R209-M221 HydrophobicContact CG-CE 4.16Å
210R62.4Low61.9Low209 Ų209112.2 Ų112.279%0.78954%0.536SS*.THydrogen-bonded Turntrans-76.2-5.7173.2-72.4176.9-170.9174.92.4113R206 A207 F208R206-R210 WeakPolarHBondContact O-CG 3.49Å; R206-R210 PolarHBondContact O-N 3.46Å; A207-R210 PolarHBondContact O-N 3.23Å; F208-R210 VanDerWaalsContact C-N 3.28Å; F208-R210 PolarHBondContact O-N 2.79Å
211L58.5Low60.5Low103 Ų103110.1 Ų110.154%0.53953%0.531SS..SBendtrans-64141.3174.2-86.595000111.5F208 R209 F213F208-L211 HydrophobicContact CD2-CD1 4.47Å; F208-L211 WeakPolarHBondContact O-CD1 3.39Å; F208-L211 PolarHBondContact O-N 3.35Å; R209-L211 PolarHBondContact O-N 3.19Å; L211-F213 PolarHBondContact O-N 2.95Å
212P51.9Low59.5Low121 Ų121110.7 Ų110.779%0.78654%0.535SS*.THydrogen-bonded Turntrans-66.4-4.5-167.723.5-33.4000116.1
213F49.9Very low58.6Low201 Ų201111.8 Ų111.888%0.88254%0.543SS*.THydrogen-bonded Turntrans-79.6-15.6-173.9-148.2-97.4000114.2L211 K215L211-F213 PolarHBondContact O-N 2.95Å; F213-K215 PolarHBondContact O-N 2.96Å
214C44.7Very low57.9Low78 Ų78112 Ų11253%0.52755%0.547SS..  trans-94.677174.7-66.40000111.1T216C214-T216 PolarHBondContact O-N 3.41Å
215K41.3Very low57.4Low207 Ų207110.5 Ų110.590%0.953%0.532SS*.  trans-73.271165.8-74-175.5179.8176.10110F213F213-K215 PolarHBondContact O-N 2.96Å
216T47Very low57.1Low98 Ų98108.7 Ų108.760%0.60153%0.525SS*.SBendtrans-118.7155.4167.9-16.90000109.5C214 R218C214-T216 PolarHBondContact O-N 3.41Å; T216-R218 PolarHBondContact O-N 3.36Å
217D52.9Low56.9Low77 Ų77106.3 Ų106.341%0.41252%0.518SS..  trans-44.8102-175.7-154.54.5000112.1S219 K220 M221 L326D217-S219 PolarHBondContact O-N 3.48Å; D217-K220 PolarHBondContact O-N 2.77Å; D217-K220 IonicContact OD2-NZ 2.98Å; D217-M221 PolarHBondContact O-N 2.92Å; D217-L326 WeakPolarHBondContact OD1-CD2 3.5Å
218R50.4Low56.9Low230 Ų230107.9 Ų107.987%0.86852%0.517SS*.Hα-helixtrans-53.4-30.5-163.8-85.4-174.9168.7-175.9-2.7114.4T216 Q222T216-R218 PolarHBondContact O-N 3.36Å; R218-Q222 PolarHBondContact O-N 3.06Å
219S50.9Low57.1Low23 Ų23101.4 Ų101.416%0.16149%0.489CS..Hα-helixtrans-95.8-33.1-175.168.20000115.1D217 M221 Q222 T223 L326D217-S219 PolarHBondContact O-N 3.48Å; S219-M221 PolarHBondContact O-N 3.5Å; S219-Q222 WeakPolarHBondContact O-CA 3.46Å; S219-Q222 WeakPolarHBondContact O-CB 3.22Å; S219-Q222 PolarHBondContact O-N 3.37Å; S219-T223 PolarHBondContact O-N 2.9Å; S219-T223 PolarHBondContact O-OG1 2.94Å; S219-L326 WeakPolarHBondContact OG-CD2 3.31Å
220K49.9Very low57.2Low136 Ų13696.5 Ų96.559%0.59147%0.472SS*.Hα-helixtrans-58.5-39.5167.3-84-179.5-174.1149.50110.2D217 Q222 T223 D224D217-K220 PolarHBondContact O-N 2.77Å; D217-K220 IonicContact OD2-NZ 2.98Å; K220-Q222 VanDerWaalsContact C-N 3.32Å; K220-Q222 PolarHBondContact O-N 3.17Å; K220-T223 PolarHBondContact O-N 3.48Å; K220-D224 WeakPolarHBondContact O-CB 3.11Å; K220-D224 VanDerWaalsContact O-CG 3.28Å; K220-D224 PolarHBondContact O-N 2.94Å
221M54Low57.8Low49 Ų4987.3 Ų87.324%0.24144%0.441CS..Hα-helixtrans-61-39.9171.9-172.2172.6154.600111.8R209 D217 S219 E225R209-M221 HydrophobicContact CB-CE 3.8Å; R209-M221 HydrophobicContact CG-CE 4.16Å; D217-M221 PolarHBondContact O-N 2.92Å; S219-M221 PolarHBondContact O-N 3.5Å; M221-E225 WeakPolarHBondContact O-CB 3.45Å; M221-E225 PolarHBondContact O-N 2.69Å
222Q57.4Low58.7Low106 Ų10684.3 Ų84.350%0.49543%0.431SS..Hα-helixtrans-66-43.9176.3-169.2174.80.200112.7R218 S219 K220 E225 T226R218-Q222 PolarHBondContact O-N 3.06Å; S219-Q222 WeakPolarHBondContact O-CA 3.46Å; S219-Q222 WeakPolarHBondContact O-CB 3.22Å; S219-Q222 PolarHBondContact O-N 3.37Å; K220-Q222 VanDerWaalsContact C-N 3.32Å; K220-Q222 PolarHBondContact O-N 3.17Å; Q222-E225 PolarHBondContact O-N 2.91Å; Q222-T226 WeakPolarHBondContact O-CG2 3.41Å; Q222-T226 PolarHBondContact O-N 2.58Å; Q222-T226 PolarHBondContact O-OG1 2.99Å
223T57.6Low59.7Low51 Ų5179 Ų7931%0.31340%0.398SS..Hα-helixtrans-67-44.7176-51.60000111.7S219 K220 E225 T226 I227 F814S219-T223 PolarHBondContact O-N 2.9Å; S219-T223 PolarHBondContact O-OG1 2.94Å; K220-T223 PolarHBondContact O-N 3.48Å; T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 PolarHBondContact O-N 2.94Å; T223-T226 WeakPolarHBondContact CA-OG1 3.17Å; T223-T226 PolarHBondContact O-N 3.46Å; T223-T226 PolarHBondContact O-OG1 3.42Å; T223-I227 HydrophobicContact CG2-CD1 4.23Å; T223-I227 WeakPolarHBondContact O-CD1 3.45Å; T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 2.82Å; T223-F814 HydrophobicContact CG2-CZ 4.41Å
224D64.9Low60.9Low94 Ų9469.6 Ų69.650%0.50336%0.357SS..Hα-helixtrans-64.9-34.7177-70-18.4000111.1K220 I227 I228K220-D224 WeakPolarHBondContact O-CB 3.11Å; K220-D224 VanDerWaalsContact O-CG 3.28Å; K220-D224 PolarHBondContact O-N 2.94Å; D224-I227 PolarHBondContact O-N 3.03Å; D224-I228 WeakPolarHBondContact O-CD1 3.4Å; D224-I228 VanDerWaalsContact O-CG1 3.25Å; D224-I228 WeakPolarHBondContact O-CG1 3.32Å; D224-I228 PolarHBondContact O-N 2.84Å
225E66.3Low62.7Low41 Ų4167 Ų6719%0.19234%0.336CS..Hα-helixtrans-67.1-45.6173.5-174.9-171.8142.700111.8R206 M221 Q222 T223 I227 I228 T229R206-E225 WeakPolarHBondContact CD-OE1 3.45Å; R206-E225 VanDerWaalsContact CG-OE1 3.24Å; R206-E225 WeakPolarHBondContact CG-OE1 3.39Å; R206-E225 IonicContact NE-OE1 3.38Å; R206-E225 PolarHBondContact NE-OE1 3.09Å; M221-E225 WeakPolarHBondContact O-CB 3.45Å; M221-E225 PolarHBondContact O-N 2.69Å; Q222-E225 PolarHBondContact O-N 2.91Å; T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 PolarHBondContact O-N 2.94Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 PolarHBondContact O-N 2.92Å; E225-I228 PolarHBondContact O-N 2.86Å; E225-T229 HydrophobicContact CG-CG2 3.86Å; E225-T229 VanDerWaalsContact O-CB 3.27Å; E225-T229 WeakPolarHBondContact O-CB 3.41Å; E225-T229 WeakPolarHBondContact O-CG2 3.32Å; E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.82Å
226T65.1Low64.5Low56 Ų5657.5 Ų57.534%0.34430%0.296SS..Hα-helixtrans-61.2-38.5175.654.70000110.9Q222 T223 T229 S230Q222-T226 WeakPolarHBondContact O-CG2 3.41Å; Q222-T226 PolarHBondContact O-N 2.58Å; Q222-T226 PolarHBondContact O-OG1 2.99Å; T223-T226 WeakPolarHBondContact CA-OG1 3.17Å; T223-T226 PolarHBondContact O-N 3.46Å; T223-T226 PolarHBondContact O-OG1 3.42Å; T226-T229 VanDerWaalsContact CA-OG1 3.28Å; T226-T229 WeakPolarHBondContact CA-OG1 3.35Å; T226-T229 PolarHBondContact O-OG1 3.3Å; T226-S230 WeakPolarHBondContact O-CB 3.33Å; T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 VanDerWaalsContact O-N 3.11Å; T226-S230 PolarHBondContact O-OG 3.18Å
227I65.5Low66Low35 Ų3553.2 Ų53.218%0.17927%0.269CS..Hα-helixtrans-59.9-51.8173.9-67.2164.2000111.4T223 D224 E225 S230 A231 L810 F814T223-I227 HydrophobicContact CG2-CD1 4.23Å; T223-I227 WeakPolarHBondContact O-CD1 3.45Å; T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 2.82Å; D224-I227 PolarHBondContact O-N 3.03Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 PolarHBondContact O-N 2.92Å; I227-S230 PolarHBondContact O-N 3.23Å; I227-A231 WeakPolarHBondContact O-CB 3.42Å; I227-A231 PolarHBondContact O-N 3.21Å; I227-L810 HydrophobicContact CG2-CB 4.39Å; I227-L810 HydrophobicContact CG2-CD1 3.78Å; I227-F814 HydrophobicContact CD1-CE2 3.5Å; I227-F814 HydrophobicContact CD1-CZ 3.8Å; I227-F814 HydrophobicContact CG1-CE2 3.55Å; I227-F814 HydrophobicContact CG1-CZ 3.37Å
228I72Confident67.3Low92 Ų9250 Ų5047%0.47225%0.252SS..Hα-helixtrans-67.9-46.5-175.3-67.1164.4000111.2D224 E225 S230 A231 A232D224-I228 WeakPolarHBondContact O-CD1 3.4Å; D224-I228 VanDerWaalsContact O-CG1 3.25Å; D224-I228 WeakPolarHBondContact O-CG1 3.32Å; D224-I228 PolarHBondContact O-N 2.84Å; E225-I228 PolarHBondContact O-N 2.86Å; I228-S230 PolarHBondContact O-N 2.9Å; I228-A231 PolarHBondContact O-N 3.2Å; I228-A232 WeakPolarHBondContact O-CB 3.43Å; I228-A232 PolarHBondContact O-N 2.97Å
229T71.6Confident69Low8 Ų839.1 Ų39.15%0.04921%0.211CC..Hα-helixtrans-56.9-42.4179.352.70000111.2L202 E225 T226 A232 A233L202-T229 HydrophobicContact CD1-CG2 3.39Å; L202-T229 VanDerWaalsContact CD2-CB 3.43Å; L202-T229 HydrophobicContact CD2-CG2 3.57Å; L202-T229 HydrophobicContact CG-CG2 3.67Å; E225-T229 HydrophobicContact CG-CG2 3.86Å; E225-T229 VanDerWaalsContact O-CB 3.27Å; E225-T229 WeakPolarHBondContact O-CB 3.41Å; E225-T229 WeakPolarHBondContact O-CG2 3.32Å; E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.82Å; T226-T229 VanDerWaalsContact CA-OG1 3.28Å; T226-T229 WeakPolarHBondContact CA-OG1 3.35Å; T226-T229 PolarHBondContact O-OG1 3.3Å; T229-A232 PolarHBondContact O-N 3.28Å; T229-A233 PolarHBondContact O-N 3.01Å; T229-A233 VanDerWaalsContact O-N 3.13Å
230S67.7Low70.5Confident11 Ų1140.7 Ų40.78%0.07721%0.214CC..Hα-helixtrans-76.7-39.2-177.9-59.40000113.3T226 I227 I228 A232 A233 L234 F417T226-S230 WeakPolarHBondContact O-CB 3.33Å; T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 VanDerWaalsContact O-N 3.11Å; T226-S230 PolarHBondContact O-OG 3.18Å; I227-S230 PolarHBondContact O-N 3.23Å; I228-S230 PolarHBondContact O-N 2.9Å; S230-A232 VanDerWaalsContact C-N 3.26Å; S230-A232 PolarHBondContact O-N 3.32Å; S230-A233 PolarHBondContact O-N 2.99Å; S230-L234 WeakPolarHBondContact O-CB 3.22Å; S230-L234 PolarHBondContact O-N 3.33Å; S230-F417 VanDerWaalsContact OG-CD2 3.27Å; S230-F417 WeakPolarHBondContact OG-CD2 3.26Å
231A74.7Confident71.9Confident16 Ų1635.2 Ų35.213%0.13219%0.191CC..Hα-helixtrans-61.5-38.4171.500000111.1I227 I228 L234 F235 L810I227-A231 WeakPolarHBondContact O-CB 3.42Å; I227-A231 PolarHBondContact O-N 3.21Å; I228-A231 PolarHBondContact O-N 3.2Å; A231-L234 WeakPolarHBondContact O-CB 3.41Å; A231-L234 PolarHBondContact O-N 3.02Å; A231-F235 HydrophobicContact CB-CE2 4.28Å; A231-F235 WeakPolarHBondContact O-CD2 3.33Å; A231-F235 WeakPolarHBondContact O-CG 3.41Å; A231-F235 PolarHBondContact O-N 3.31Å; A231-L810 HydrophobicContact CB-CD1 4.17Å
232A76.5Confident73.4Confident40 Ų4033.2 Ų33.233%0.33118%0.182SC..Hα-helixtrans-65.5-39.3176.900000112.6I228 T229 S230 S236I228-A232 WeakPolarHBondContact O-CB 3.43Å; I228-A232 PolarHBondContact O-N 2.97Å; T229-A232 PolarHBondContact O-N 3.28Å; S230-A232 VanDerWaalsContact C-N 3.26Å; S230-A232 PolarHBondContact O-N 3.32Å; A232-S236 VanDerWaalsContact O-CB 3.32Å; A232-S236 WeakPolarHBondContact O-CB 3.34Å; A232-S236 PolarHBondContact O-N 2.9Å
233A74Confident74.4Confident10 Ų1028.8 Ų28.88%0.08316%0.161CC..Hα-helixtrans-66.2-45.6172.800000111.6T229 S230 F235 S236 D237 D418T229-A233 PolarHBondContact O-N 3.01Å; T229-A233 VanDerWaalsContact O-N 3.13Å; S230-A233 PolarHBondContact O-N 2.99Å; A233-F235 PolarHBondContact O-N 3.33Å; A233-S236 WeakPolarHBondContact O-CA 3.39Å; A233-S236 VanDerWaalsContact O-CB 3.31Å; A233-S236 WeakPolarHBondContact O-CB 3.41Å; A233-S236 PolarHBondContact O-N 2.85Å; A233-D237 PolarHBondContact O-N 2.98Å; A233-D418 WeakPolarHBondContact CB-OD1 3.25Å
234L73.9Confident75.8Confident4 Ų427.1 Ų27.12%0.02115%0.15CC..Hα-helixtrans-51.2-53.4174.3173.669.3000112.4S230 A231 S236 D237 I238 I421 I542 M546S230-L234 WeakPolarHBondContact O-CB 3.22Å; S230-L234 PolarHBondContact O-N 3.33Å; A231-L234 WeakPolarHBondContact O-CB 3.41Å; A231-L234 PolarHBondContact O-N 3.02Å; L234-S236 VanDerWaalsContact C-N 3.3Å; L234-S236 PolarHBondContact O-N 3.41Å; L234-D237 PolarHBondContact O-N 2.92Å; L234-I238 HydrophobicContact CD1-CD1 3.63Å; L234-I238 HydrophobicContact CD1-CG1 4.34Å; L234-I238 HydrophobicContact CG-CD1 3.96Å; L234-I238 VanDerWaalsContact O-CG1 3.31Å; L234-I238 WeakPolarHBondContact O-CG1 3.27Å; L234-I238 PolarHBondContact O-N 2.95Å; L234-I421 VanDerWaalsContact CA-CD1 3.48Å; L234-I421 HydrophobicContact CB-CD1 3.75Å; L234-I421 HydrophobicContact CD1-CD1 3.33Å; L234-I421 HydrophobicContact CD1-CG1 3.63Å; L234-I421 HydrophobicContact CG-CD1 4.14Å; L234-I542 HydrophobicContact CD2-CD1 4.23Å; L234-M546 HydrophobicContact CD1-CE 3.53Å; L234-M546 HydrophobicContact CD1-SD 4.26Å
235F82.3Confident76.8Confident23 Ų2323.2 Ų23.210%0.10113%0.13CC..Hα-helixtrans-70.9-26.8179.4-66-54.4000112.9A231 A233 F239 I249 L253 F554A231-F235 HydrophobicContact CB-CE2 4.28Å; A231-F235 WeakPolarHBondContact O-CD2 3.33Å; A231-F235 WeakPolarHBondContact O-CG 3.41Å; A231-F235 PolarHBondContact O-N 3.31Å; A233-F235 PolarHBondContact O-N 3.33Å; F235-F239 HydrophobicContact CB-CD2 4.33Å; F235-F239 HydrophobicContact CD1-CD2 4.3Å; F235-F239 AromaticContact CD1-CE2 3.89Å; F235-F239 HydrophobicContact CD1-CE2 3.89Å; F235-F239 WeakPolarHBondContact O-CB 3.34Å; F235-F239 WeakPolarHBondContact O-CD2 3.33Å; F235-F239 PolarHBondContact O-N 2.87Å; F235-F239 VanDerWaalsContact O-N 3.15Å; F235-I249 HydrophobicContact CB-CD1 4.31Å; F235-I249 HydrophobicContact CB-CG2 4.25Å; F235-I249 HydrophobicContact CD1-CG2 4.18Å; F235-I249 HydrophobicContact CD2-CG2 4.38Å; F235-I249 HydrophobicContact CG-CG2 4.02Å; F235-L253 HydrophobicContact CE1-CD1 4.34Å; F235-L253 HydrophobicContact CE1-CD2 4.05Å; F235-L253 HydrophobicContact CE2-CD1 3.78Å; F235-L253 HydrophobicContact CZ-CD1 3.66Å; F235-L253 HydrophobicContact CZ-CD2 3.81Å; F235-L253 HydrophobicContact CZ-CG 4.32Å; F235-F554 HydrophobicContact CD1-CE1 4.22Å; F235-F554 HydrophobicContact CD1-CZ 4.43Å; F235-F554 AromaticContact CE1-CE1 3.82Å; F235-F554 HydrophobicContact CE1-CE1 3.82Å; F235-F554 AromaticContact CE1-CZ 3.7Å; F235-F554 HydrophobicContact CE1-CZ 3.7Å
236S79.4Confident77.8Confident7 Ų724.7 Ų24.75%0.04915%0.149CC..Hα-helixtrans-64.3-43.1174.1179.50000112.1A232 A233 L234 Y240A232-S236 VanDerWaalsContact O-CB 3.32Å; A232-S236 WeakPolarHBondContact O-CB 3.34Å; A232-S236 PolarHBondContact O-N 2.9Å; A233-S236 WeakPolarHBondContact O-CA 3.39Å; A233-S236 VanDerWaalsContact O-CB 3.31Å; A233-S236 WeakPolarHBondContact O-CB 3.41Å; A233-S236 PolarHBondContact O-N 2.85Å; L234-S236 VanDerWaalsContact C-N 3.3Å; L234-S236 PolarHBondContact O-N 3.41Å; S236-Y240 WeakPolarHBondContact O-CA 3.37Å; S236-Y240 WeakPolarHBondContact O-CB 3.38Å; S236-Y240 PolarHBondContact O-N 2.98Å
237D78Confident78.8Confident8 Ų823 Ų234%0.04314%0.14CC..Hα-helixtrans-78.4-36.3-177-70.6-11.9000111.6A233 L234 Y240A233-D237 PolarHBondContact O-N 2.98Å; L234-D237 PolarHBondContact O-N 2.92Å; D237-Y240 WeakPolarHBondContact O-CD1 3.33Å
238I81.6Confident80Confident11 Ų1121.3 Ų21.36%0.05613%0.131CC..Hα-helixtrans-66.5-43.8176.1-68.6174.5000111.7L234 I551 F554 K555L234-I238 HydrophobicContact CD1-CD1 3.63Å; L234-I238 HydrophobicContact CD1-CG1 4.34Å; L234-I238 HydrophobicContact CG-CD1 3.96Å; L234-I238 VanDerWaalsContact O-CG1 3.31Å; L234-I238 WeakPolarHBondContact O-CG1 3.27Å; L234-I238 PolarHBondContact O-N 2.95Å; I238-I551 HydrophobicContact CB-CG2 4.47Å; I238-I551 HydrophobicContact CD1-CG2 4.05Å; I238-I551 HydrophobicContact CG1-CG2 3.78Å; I238-I551 HydrophobicContact CG2-CG2 4.06Å; I238-F554 HydrophobicContact CD1-CD1 4.43Å; I238-F554 HydrophobicContact CD1-CE1 4.45Å; I238-F554 HydrophobicContact CG2-CD1 4.36Å; I238-K555 HydrophobicContact CG2-CB 4.08Å; I238-K555 HydrophobicContact CG2-CG 4.35Å; I238-K555 WeakPolarHBondContact O-CD 3.36Å
239F85.1Confident80.9Confident0 Ų017.7 Ų17.70%011%0.112CC..THydrogen-bonded Turntrans-98.518.6-174-66.3-79.3000112.7R194 F235 D241 V242 L244 I249 F554 K555 L558R194-F239 PolarHBondContact NH1-O 3.19Å; R194-F239 PolarHBondContact NH2-O 3.14Å; F235-F239 HydrophobicContact CB-CD2 4.33Å; F235-F239 HydrophobicContact CD1-CD2 4.3Å; F235-F239 AromaticContact CD1-CE2 3.89Å; F235-F239 HydrophobicContact CD1-CE2 3.89Å; F235-F239 WeakPolarHBondContact O-CB 3.34Å; F235-F239 WeakPolarHBondContact O-CD2 3.33Å; F235-F239 PolarHBondContact O-N 2.87Å; F235-F239 VanDerWaalsContact O-N 3.15Å; F239-D241 PolarHBondContact O-N 3.36Å; F239-V242 PolarHBondContact O-N 2.84Å; F239-V242 VanDerWaalsContact O-O 3.06Å; F239-L244 HydrophobicContact CD1-CD1 3.83Å; F239-L244 HydrophobicContact CE1-CD1 4.23Å; F239-I249 HydrophobicContact CD2-CD1 4.15Å; F239-I249 HydrophobicContact CD2-CG1 4.5Å; F239-I249 HydrophobicContact CE2-CG2 4.47Å; F239-I249 HydrophobicContact CG-CD1 4.46Å; F239-F554 AromaticContact CE2-CE1 3.8Å; F239-F554 HydrophobicContact CE2-CE1 3.8Å; F239-F554 HydrophobicContact CE2-CZ 4.39Å; F239-F554 HydrophobicContact CZ-CD1 4.46Å; F239-F554 AromaticContact CZ-CE1 3.85Å; F239-F554 HydrophobicContact CZ-CE1 3.85Å; F239-F554 HydrophobicContact CZ-CZ 4.34Å; F239-K555 HydrophobicContact CD1-CD 4.47Å; F239-K555 HydrophobicContact CD1-CG 3.8Å; F239-K555 HydrophobicContact CE1-CB 4.16Å; F239-K555 HydrophobicContact CE1-CG 3.58Å; F239-K555 HydrophobicContact CZ-CG 4.38Å; F239-L558 HydrophobicContact CE1-CB 4.18Å; F239-L558 HydrophobicContact CE1-CD1 4.5Å; F239-L558 HydrophobicContact CE1-CD2 3.88Å; F239-L558 HydrophobicContact CE1-CG 4.39Å; F239-L558 HydrophobicContact CE2-CD1 4.25Å; F239-L558 HydrophobicContact CZ-CB 3.91Å; F239-L558 HydrophobicContact CZ-CD1 3.71Å; F239-L558 HydrophobicContact CZ-CD2 3.91Å; F239-L558 HydrophobicContact CZ-CG 4.04Å
240Y82.7Confident81.7Confident57 Ų5720.2 Ų20.222%0.22413%0.128CC..THydrogen-bonded Turntrans-59.1-32.7-171.382.2-78.7000114L178 V190 M191 R194 S236 D237L178-Y240 HydrophobicContact CD2-CE2 4.33Å; V190-Y240 HydrophobicContact CG1-CD2 4.42Å; M191-Y240 HydrophobicContact CB-CD2 3.85Å; M191-Y240 HydrophobicContact CB-CE2 4.28Å; M191-Y240 HydrophobicContact CB-CG 4.38Å; M191-Y240 HydrophobicContact CG-CD2 4.35Å; M191-Y240 HydrophobicContact CG-CG 4.41Å; R194-Y240 VanDerWaalsContact CD-CA 3.49Å; R194-Y240 VanDerWaalsContact NH1-C 3.32Å; R194-Y240 PolarHBondContact NH1-O 3.38Å; S236-Y240 WeakPolarHBondContact O-CA 3.37Å; S236-Y240 WeakPolarHBondContact O-CB 3.38Å; S236-Y240 PolarHBondContact O-N 2.98Å; D237-Y240 WeakPolarHBondContact O-CD1 3.33Å
241D80.5Confident82.8Confident21 Ų2119.7 Ų19.711%0.11212%0.124CC..THydrogen-bonded Turntrans-85.9-6.5-178.760.2-25.3000113.4C177 L178 F239 K555C177-D241 CarbonylContact C-O 3.57Å; C177-D241 WeakPolarHBondContact CA-O 3.4Å; L178-D241 HydrophobicContact CB-CB 3.93Å; L178-D241 HydrophobicContact CD2-CB 4.5Å; L178-D241 PolarHBondContact N-O 2.85Å; F239-D241 PolarHBondContact O-N 3.36Å; D241-K555 IonicContact OD1-NZ 3.86Å; D241-K555 IonicContact OD2-NZ 3.62Å; D241-K555 PolarHBondContact OD2-NZ 3.36Å
242V83.4Confident83.5Confident7 Ų719 Ų194%0.04212%0.118CC..BIsolated β-bridgetrans-114.1133.9179.5-164.70000110.1R194 F239 L244 K555 I559R194-V242 PolarHBondContact NH1-O 3.43Å; F239-V242 PolarHBondContact O-N 2.84Å; F239-V242 VanDerWaalsContact O-O 3.06Å; V242-L244 VanDerWaalsContact C-N 3.29Å; V242-L244 HydrophobicContact CB-CD1 4.39Å; V242-L244 HydrophobicContact CB-CG 4.31Å; V242-L244 HydrophobicContact CG1-CD1 3.99Å; V242-L244 HydrophobicContact CG1-CD2 4.47Å; V242-L244 HydrophobicContact CG1-CG 3.73Å; V242-L244 PolarHBondContact O-N 3.03Å; V242-K555 HydrophobicContact CG2-CD 4.4Å; V242-I559 HydrophobicContact CG1-CD1 4.18Å; V242-I559 HydrophobicContact CG2-CD1 3.92Å
243D80.5Confident84.2Confident12 Ų1218.5 Ų18.56%0.06411%0.11CC..  trans-78.381.4173.3-165.830.6000110.2M1 P2 A3 F173 G176M1-D243 CarbonylContact C-O 3.58Å; P2-D243 VanDerWaalsContact CA-O 3.31Å; P2-D243 WeakPolarHBondContact CA-O 3.5Å; P2-D243 WeakPolarHBondContact CA-OD2 3.39Å; P2-D243 HydrophobicContact CB-CB 4.38Å; P2-D243 WeakPolarHBondContact CB-OD2 3.42Å; A3-D243 PolarHBondContact N-OD2 3.18Å; F173-D243 HydrophobicContact CE1-CB 4.48Å; G176-D243 PolarHBondContact O-N 3.06Å
244L85.2Confident85Confident16 Ų1620.1 Ų20.18%0.08412%0.115CC..  trans-119.9137.7174.4-68.7175.3000110.6F239 V242 D248 I249 L558 I559 L562F239-L244 HydrophobicContact CD1-CD1 3.83Å; F239-L244 HydrophobicContact CE1-CD1 4.23Å; V242-L244 VanDerWaalsContact C-N 3.29Å; V242-L244 HydrophobicContact CB-CD1 4.39Å; V242-L244 HydrophobicContact CB-CG 4.31Å; V242-L244 HydrophobicContact CG1-CD1 3.99Å; V242-L244 HydrophobicContact CG1-CD2 4.47Å; V242-L244 HydrophobicContact CG1-CG 3.73Å; V242-L244 PolarHBondContact O-N 3.03Å; L244-D248 HydrophobicContact CD2-CB 4.22Å; L244-I249 HydrophobicContact CB-CG1 4.32Å; L244-L558 HydrophobicContact CD1-CD2 4.13Å; L244-I559 HydrophobicContact CD1-CG1 4.39Å; L244-L562 HydrophobicContact CD2-CD1 4.2Å
245V86.9Confident85.7Confident12 Ų1220.1 Ų20.17%0.07312%0.115CC..  trans-82.7154.1170.8-177.90000109.7A3 A12 A14 S247 D248 I249A3-V245 HydrophobicContact CB-CG2 4.19Å; A12-V245 WeakPolarHBondContact O-CG1 3.37Å; A14-V245 HydrophobicContact CB-CB 4.25Å; A14-V245 HydrophobicContact CB-CG2 3.95Å; V245-S247 PolarHBondContact O-N 2.88Å; V245-D248 PolarHBondContact N-OD2 3.4Å; V245-D248 VanDerWaalsContact N-OD2 3.17Å; V245-D248 WeakPolarHBondContact O-CB 3.42Å; V245-D248 PolarHBondContact O-N 3.4Å; V245-I249 PolarHBondContact O-N 2.89Å
246A86.1Confident86.2Confident72 Ų7219 Ų1960%0.59511%0.11SC*.Hα-helixtrans-56.5-34.7-179.800000113.5D248 I249 V250A246-D248 VanDerWaalsContact C-N 3.28Å; A246-D248 PolarHBondContact O-N 3.21Å; A246-I249 PolarHBondContact O-N 2.9Å; A246-V250 WeakPolarHBondContact O-CG2 3.49Å; A246-V250 PolarHBondContact O-N 3.49Å
247S88.1Confident86.6Confident21 Ų2121.1 Ų21.115%0.14712%0.117CC..Hα-helixtrans-63.7-32.5175.347.20000112.6D17 V245 V250 A251 K569D17-S247 VanDerWaalsContact OD1-CB 3.28Å; D17-S247 WeakPolarHBondContact OD1-CB 3.42Å; D17-S247 PolarHBondContact OD1-OG 2.67Å; D17-S247 PolarHBondContact OD2-OG 3.09Å; V245-S247 PolarHBondContact O-N 2.88Å; S247-V250 PolarHBondContact O-N 3.41Å; S247-A251 WeakPolarHBondContact O-CB 3.46Å; S247-A251 PolarHBondContact O-N 2.93Å; S247-K569 PolarHBondContact OG-NZ 3.43Å; S247-K569 VanDerWaalsContact OG-NZ 3.13Å
248D90.3Very high87.1Confident0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-72.8-40.6176.7-52.7-33.2000111.4M1 V85 L244 V245 A246 V250 A251 G252 L562 K569M1-D248 WeakPolarHBondContact CA-OD2 3.33Å; M1-D248 WeakPolarHBondContact CB-OD2 3.5Å; M1-D248 VanDerWaalsContact N-CG 3.27Å; M1-D248 PolarHBondContact N-OD2 2.81Å; V85-D248 HydrophobicContact CG1-CB 4.32Å; L244-D248 HydrophobicContact CD2-CB 4.22Å; V245-D248 PolarHBondContact N-OD2 3.4Å; V245-D248 VanDerWaalsContact N-OD2 3.17Å; V245-D248 WeakPolarHBondContact O-CB 3.42Å; V245-D248 PolarHBondContact O-N 3.4Å; A246-D248 VanDerWaalsContact C-N 3.28Å; A246-D248 PolarHBondContact O-N 3.21Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 3.04Å; D248-A251 PolarHBondContact O-N 3.49Å; D248-G252 PolarHBondContact O-N 3.25Å; D248-L562 HydrophobicContact CB-CD1 4.21Å; D248-K569 IonicContact OD1-NZ 2.91Å; D248-K569 PolarHBondContact OD1-NZ 3.27Å
249I90.4Very high87.4Confident15 Ų1520.6 Ų20.68%0.07711%0.114CC..Hα-helixtrans-59.6-44.2173.7-60175.1000109.3F235 F239 L244 V245 A246 G252 L253 L558F235-I249 HydrophobicContact CB-CD1 4.31Å; F235-I249 HydrophobicContact CB-CG2 4.25Å; F235-I249 HydrophobicContact CD1-CG2 4.18Å; F235-I249 HydrophobicContact CD2-CG2 4.38Å; F235-I249 HydrophobicContact CG-CG2 4.02Å; F239-I249 HydrophobicContact CD2-CD1 4.15Å; F239-I249 HydrophobicContact CD2-CG1 4.5Å; F239-I249 HydrophobicContact CE2-CG2 4.47Å; F239-I249 HydrophobicContact CG-CD1 4.46Å; L244-I249 HydrophobicContact CB-CG1 4.32Å; V245-I249 PolarHBondContact O-N 2.89Å; A246-I249 PolarHBondContact O-N 2.9Å; I249-G252 PolarHBondContact O-N 2.93Å; I249-L253 HydrophobicContact CG2-CD1 4.13Å; I249-L253 HydrophobicContact CG2-CG 4.41Å; I249-L253 WeakPolarHBondContact O-CB 3.42Å; I249-L253 VanDerWaalsContact O-CG 3.23Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 3.01Å; I249-L558 HydrophobicContact CG2-CD1 4.45Å
250V88.6Confident87.7Confident62 Ų6220.8 Ų20.838%0.37612%0.115SC..Hα-helixtrans-62.9-43.9176.6173.40000111.8A246 S247 D248 L253 F254 L573A246-V250 WeakPolarHBondContact O-CG2 3.49Å; A246-V250 PolarHBondContact O-N 3.49Å; S247-V250 PolarHBondContact O-N 3.41Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 3.04Å; V250-L253 PolarHBondContact O-N 3.34Å; V250-F254 HydrophobicContact CG1-CD2 4Å; V250-F254 HydrophobicContact CG1-CE2 3.52Å; V250-F254 HydrophobicContact CG1-CZ 4.22Å; V250-F254 VanDerWaalsContact O-CD2 3.25Å; V250-F254 WeakPolarHBondContact O-CD2 3.09Å; V250-F254 PolarHBondContact O-N 3.45Å; V250-L573 HydrophobicContact CB-CD2 4.42Å; V250-L573 HydrophobicContact CG1-CD2 3.76Å
251A89.6Confident87.9Confident0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-61.2-44.9175.200000111.7S247 D248 L253 F254 L255 L562 K569S247-A251 WeakPolarHBondContact O-CB 3.46Å; S247-A251 PolarHBondContact O-N 2.93Å; D248-A251 PolarHBondContact O-N 3.49Å; A251-L253 PolarHBondContact O-N 2.87Å; A251-F254 WeakPolarHBondContact O-CB 2.99Å; A251-F254 PolarHBondContact O-N 2.73Å; A251-F254 VanDerWaalsContact O-N 3.11Å; A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 3.49Å; A251-L255 VanDerWaalsContact O-N 3.07Å; A251-L562 HydrophobicContact CB-CD2 4.18Å; A251-K569 HydrophobicContact CB-CD 4.26Å; A251-K569 HydrophobicContact CB-CG 4.04Å
252G91.1Very high88.1Confident0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-60.7-42.7175.500000112.2D248 I249 F254 L255 L256D248-G252 PolarHBondContact O-N 3.25Å; I249-G252 PolarHBondContact O-N 2.93Å; G252-F254 VanDerWaalsContact C-N 3.29Å; G252-F254 PolarHBondContact O-N 3.14Å; G252-L255 PolarHBondContact O-N 3.4Å; G252-L255 VanDerWaalsContact O-N 3.14Å; G252-L256 WeakPolarHBondContact O-CG 3.46Å; G252-L256 PolarHBondContact O-N 3.18Å
253L91.5Very high88.3Confident30 Ų3022.7 Ų22.716%0.15712%0.124CC..Hα-helixtrans-62-34.7173.9-71.6171.1000112.5F235 I249 V250 A251 R257 F554 L558 I805F235-L253 HydrophobicContact CE1-CD1 4.34Å; F235-L253 HydrophobicContact CE1-CD2 4.05Å; F235-L253 HydrophobicContact CE2-CD1 3.78Å; F235-L253 HydrophobicContact CZ-CD1 3.66Å; F235-L253 HydrophobicContact CZ-CD2 3.81Å; F235-L253 HydrophobicContact CZ-CG 4.32Å; I249-L253 HydrophobicContact CG2-CD1 4.13Å; I249-L253 HydrophobicContact CG2-CG 4.41Å; I249-L253 WeakPolarHBondContact O-CB 3.42Å; I249-L253 VanDerWaalsContact O-CG 3.23Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 3.01Å; V250-L253 PolarHBondContact O-N 3.34Å; A251-L253 PolarHBondContact O-N 2.87Å; L253-R257 WeakPolarHBondContact O-CB 3.28Å; L253-R257 PolarHBondContact O-N 2.97Å; L253-F554 HydrophobicContact CD2-CE2 4.18Å; L253-F554 HydrophobicContact CD2-CZ 3.92Å; L253-L558 HydrophobicContact CD2-CD1 4.42Å; L253-L558 HydrophobicContact CG-CD1 4.35Å; L253-I805 HydrophobicContact CD2-CD1 3.85Å; L253-I805 HydrophobicContact CD2-CG1 4.17Å; L253-I805 HydrophobicContact CD2-CG2 4.21Å
254F89.2Confident88.6Confident45 Ų4522.2 Ų22.220%0.19712%0.121CC..Hα-helixtrans-67.2-39.7173.3-73.4-50.4000112.4V250 A251 G252 R257 W258 L573 V602V250-F254 HydrophobicContact CG1-CD2 4Å; V250-F254 HydrophobicContact CG1-CE2 3.52Å; V250-F254 HydrophobicContact CG1-CZ 4.22Å; V250-F254 VanDerWaalsContact O-CD2 3.25Å; V250-F254 WeakPolarHBondContact O-CD2 3.09Å; V250-F254 PolarHBondContact O-N 3.45Å; A251-F254 WeakPolarHBondContact O-CB 2.99Å; A251-F254 PolarHBondContact O-N 2.73Å; A251-F254 VanDerWaalsContact O-N 3.11Å; G252-F254 VanDerWaalsContact C-N 3.29Å; G252-F254 PolarHBondContact O-N 3.14Å; F254-R257 PolarHBondContact O-N 2.96Å; F254-W258 PolarHBondContact O-N 2.99Å; F254-L573 HydrophobicContact CD2-CD2 4.09Å; F254-L573 HydrophobicContact CE2-CD2 3.84Å; F254-V602 HydrophobicContact CB-CG1 3.99Å; F254-V602 HydrophobicContact CD1-CB 4.05Å; F254-V602 HydrophobicContact CD1-CG1 3.45Å; F254-V602 VanDerWaalsContact CD1-CG1 3.45Å; F254-V602 HydrophobicContact CD1-CG2 4.31Å; F254-V602 HydrophobicContact CE1-CB 4.32Å; F254-V602 HydrophobicContact CE1-CG1 4.11Å; F254-V602 HydrophobicContact CE1-CG2 4.14Å; F254-V602 HydrophobicContact CG-CG1 3.9Å
255L90.1Very high88.3Confident4 Ų423.7 Ų23.72%0.02114%0.14CC..Hα-helixtrans-66.1-45.4175.1-63.6172.8000111.4A251 G252 R257 W258 Q259 A561 L562 C565 L572 L609 L617A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 3.49Å; A251-L255 VanDerWaalsContact O-N 3.07Å; G252-L255 PolarHBondContact O-N 3.4Å; G252-L255 VanDerWaalsContact O-N 3.14Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.57Å; L255-W258 WeakPolarHBondContact O-CB 3.49Å; L255-W258 PolarHBondContact O-N 2.79Å; L255-W258 VanDerWaalsContact O-N 3.13Å; L255-Q259 PolarHBondContact O-N 3Å; L255-A561 HydrophobicContact CB-CB 4.07Å; L255-A561 HydrophobicContact CD1-CB 4.15Å; L255-A561 WeakPolarHBondContact CD1-O 3.49Å; L255-L562 HydrophobicContact CD1-CD2 4.26Å; L255-C565 HydrophobicContact CD1-CB 3.65Å; L255-C565 HydrophobicContact CD2-CB 4.29Å; L255-L572 HydrophobicContact CD2-CD2 4.33Å; L255-L609 HydrophobicContact CD2-CD2 4.09Å; L255-L617 HydrophobicContact CB-CD2 4.32Å; L255-L617 HydrophobicContact CD2-CD1 4.21Å
256L91.3Very high87.8Confident0 Ų024 Ų240%014%0.142CC..Hα-helixtrans-67.4-28.5177-66-174.7000112.9G252 Q259 T260 F554 R557 L558 A561 I805G252-L256 WeakPolarHBondContact O-CG 3.46Å; G252-L256 PolarHBondContact O-N 3.18Å; L256-Q259 VanDerWaalsContact CD2-OE1 3.31Å; L256-Q259 PolarHBondContact O-N 2.72Å; L256-T260 WeakPolarHBondContact O-CB 3.4Å; L256-T260 PolarHBondContact O-N 3.34Å; L256-T260 PolarHBondContact O-OG1 3.13Å; L256-F554 HydrophobicContact CD1-CD2 3.81Å; L256-F554 HydrophobicContact CD1-CE2 3.4Å; L256-F554 VanDerWaalsContact CD1-CE2 3.4Å; L256-F554 HydrophobicContact CD1-CZ 4.37Å; L256-R557 HydrophobicContact CD2-CB 4.05Å; L256-L558 HydrophobicContact CD1-CB 3.82Å; L256-L558 HydrophobicContact CD1-CD1 4.16Å; L256-L558 HydrophobicContact CD1-CG 4.24Å; L256-A561 HydrophobicContact CD2-CB 4.17Å; L256-I805 HydrophobicContact CB-CB 4.13Å; L256-I805 HydrophobicContact CB-CG1 3.71Å; L256-I805 HydrophobicContact CD1-CG1 4.22Å
257R89.3Confident87.3Confident51 Ų5122.9 Ų22.919%0.19214%0.137CC..Hα-helixtrans-67.3-43.6170.4179.4-178.5171.3178.9-3.6111.4L253 F254 L255 Q259 T260 K261 V602 I805 P807L253-R257 WeakPolarHBondContact O-CB 3.28Å; L253-R257 PolarHBondContact O-N 2.97Å; F254-R257 PolarHBondContact O-N 2.96Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.57Å; R257-Q259 VanDerWaalsContact C-N 3.34Å; R257-T260 PolarHBondContact O-N 2.96Å; R257-K261 PolarHBondContact O-N 2.98Å; R257-K261 VanDerWaalsContact O-N 3.12Å; R257-V602 PolarHBondContact NE-O 3.38Å; R257-V602 VanDerWaalsContact NE-O 3.09Å; R257-I805 HydrophobicContact CB-CG2 3.96Å; R257-P807 VanDerWaalsContact CZ-CG 3.44Å
258W88.1Confident86.9Confident8 Ų824.8 Ų24.83%0.0314%0.144CC..Hα-helixtrans-59.2-48.7172.4179.598.8000110F254 L255 T260 K261 Q262 L609 Q614 L617 I618F254-W258 PolarHBondContact O-N 2.99Å; L255-W258 WeakPolarHBondContact O-CB 3.49Å; L255-W258 PolarHBondContact O-N 2.79Å; L255-W258 VanDerWaalsContact O-N 3.13Å; W258-T260 PolarHBondContact O-N 3.15Å; W258-K261 WeakPolarHBondContact O-CB 3.24Å; W258-K261 PolarHBondContact O-N 2.82Å; W258-K261 VanDerWaalsContact O-N 3.1Å; W258-Q262 HydrophobicContact CD2-CG 3.85Å; W258-Q262 HydrophobicContact CE3-CG 3.84Å; W258-Q262 HydrophobicContact CH2-CG 3.57Å; W258-Q262 HydrophobicContact CZ2-CG 3.58Å; W258-Q262 HydrophobicContact CZ3-CG 3.7Å; W258-Q262 WeakPolarHBondContact O-CG 3.46Å; W258-Q262 PolarHBondContact O-N 3.29Å; W258-L609 HydrophobicContact CD2-CD1 3.83Å; W258-L609 HydrophobicContact CE3-CD1 4.19Å; W258-L609 HydrophobicContact CG-CD1 4.15Å; W258-L609 HydrophobicContact CZ2-CD1 4.22Å; W258-Q614 HydrophobicContact CH2-CB 3.67Å; W258-Q614 HydrophobicContact CH2-CG 3.75Å; W258-Q614 HydrophobicContact CZ2-CB 4.14Å; W258-Q614 HydrophobicContact CZ2-CG 3.72Å; W258-L617 HydrophobicContact CE3-CB 4.17Å; W258-L617 HydrophobicContact CE3-CD1 4.06Å; W258-L617 HydrophobicContact CZ3-CB 3.65Å; W258-L617 HydrophobicContact CZ3-CD1 4.05Å; W258-I618 HydrophobicContact CH2-CD1 3.87Å; W258-I618 HydrophobicContact CH2-CG1 3.84Å; W258-I618 HydrophobicContact CZ3-CD1 4.38Å; W258-I618 HydrophobicContact CZ3-CG1 3.83Å
259Q88.3Confident86.7Confident0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-55.2-50176.6179.7-169.568.200111.9L255 L256 R257 K261 Q262 W263 L617 S620L255-Q259 PolarHBondContact O-N 3Å; L256-Q259 VanDerWaalsContact CD2-OE1 3.31Å; L256-Q259 PolarHBondContact O-N 2.72Å; R257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-K261 PolarHBondContact O-N 3.3Å; Q259-Q262 CarbonylContact O-C 3.6Å; Q259-Q262 WeakPolarHBondContact O-CA 3.46Å; Q259-Q262 WeakPolarHBondContact O-CB 3.29Å; Q259-Q262 PolarHBondContact O-N 2.69Å; Q259-W263 VanDerWaalsContact CD-CH2 3.48Å; Q259-W263 HydrophobicContact CG-CD2 3.93Å; Q259-W263 HydrophobicContact CG-CE3 4.45Å; Q259-W263 HydrophobicContact CG-CG 4.48Å; Q259-W263 HydrophobicContact CG-CH2 4.09Å; Q259-W263 HydrophobicContact CG-CZ2 3.5Å; Q259-W263 VanDerWaalsContact NE2-CZ2 3.34Å; Q259-W263 PolarHBondContact O-N 2.96Å; Q259-W263 VanDerWaalsContact OE1-CH2 3.31Å; Q259-L617 WeakPolarHBondContact CG-O 3.37Å; Q259-L617 PolarHBondContact NE2-O 3.33Å; Q259-S620 PolarHBondContact NE2-OG 3.36Å
260T89.6Confident86.4Confident4 Ų427.1 Ų27.13%0.02515%0.152CC..Hα-helixtrans-56.8-40.6178.2-62.20000111.3L256 R257 W258 W263 V264 Y540 L804 I805L256-T260 WeakPolarHBondContact O-CB 3.4Å; L256-T260 PolarHBondContact O-N 3.34Å; L256-T260 PolarHBondContact O-OG1 3.13Å; R257-T260 PolarHBondContact O-N 2.96Å; W258-T260 PolarHBondContact O-N 3.15Å; T260-W263 PolarHBondContact O-N 2.72Å; T260-V264 HydrophobicContact CG2-CG2 4.35Å; T260-V264 WeakPolarHBondContact O-CB 3.42Å; T260-V264 PolarHBondContact O-N 3.26Å; T260-Y540 HydrophobicContact CG2-CE1 4.4Å; T260-L804 HydrophobicContact CG2-CB 3.86Å; T260-L804 HydrophobicContact CG2-CD2 4.23Å; T260-I805 PolarHBondContact OG1-N 3.18Å
261K86.8Confident86.2Confident68 Ų6825.6 Ų25.630%0.29614%0.143SC..Hα-helixtrans-65.7-39.7175.4-176.5172.5174.9170.60111.8R257 W258 Q259 W263 G265 S604R257-K261 PolarHBondContact O-N 2.98Å; R257-K261 VanDerWaalsContact O-N 3.12Å; W258-K261 WeakPolarHBondContact O-CB 3.24Å; W258-K261 PolarHBondContact O-N 2.82Å; W258-K261 VanDerWaalsContact O-N 3.1Å; Q259-K261 PolarHBondContact O-N 3.3Å; K261-W263 VanDerWaalsContact C-N 3.32Å; K261-W263 PolarHBondContact O-N 3.47Å; K261-G265 WeakPolarHBondContact O-CA 3.33Å; K261-G265 PolarHBondContact O-N 3.1Å; K261-S604 PolarHBondContact NZ-OG 3.39Å
262Q86.2Confident85.8Confident50 Ų5026.3 Ų26.323%0.23415%0.147CC..Hα-helixtrans-68.5-28.8175-59.6-48.3-35.300113.1W258 Q259 I618 R663W258-Q262 HydrophobicContact CD2-CG 3.85Å; W258-Q262 HydrophobicContact CE3-CG 3.84Å; W258-Q262 HydrophobicContact CH2-CG 3.57Å; W258-Q262 HydrophobicContact CZ2-CG 3.58Å; W258-Q262 HydrophobicContact CZ3-CG 3.7Å; W258-Q262 WeakPolarHBondContact O-CG 3.46Å; W258-Q262 PolarHBondContact O-N 3.29Å; Q259-Q262 CarbonylContact O-C 3.6Å; Q259-Q262 WeakPolarHBondContact O-CA 3.46Å; Q259-Q262 WeakPolarHBondContact O-CB 3.29Å; Q259-Q262 PolarHBondContact O-N 2.69Å; Q262-I618 HydrophobicContact CB-CD1 4.15Å; Q262-I618 HydrophobicContact CB-CG1 3.92Å; Q262-I618 HydrophobicContact CG-CD1 4.21Å; Q262-I618 HydrophobicContact CG-CG1 4.18Å; Q262-R663 PolarHBondContact O-NH1 3.05Å; Q262-R663 PolarHBondContact O-NH2 3.15Å
263W86.6Confident85.3Confident7 Ų729.4 Ų29.43%0.02717%0.168CC..Hα-helixtrans-78.7-51176.9-68.1-8.3000112.3Q259 T260 K261 I618 F658 R663 W668 T802 L804Q259-W263 VanDerWaalsContact CD-CH2 3.48Å; Q259-W263 HydrophobicContact CG-CD2 3.93Å; Q259-W263 HydrophobicContact CG-CE3 4.45Å; Q259-W263 HydrophobicContact CG-CG 4.48Å; Q259-W263 HydrophobicContact CG-CH2 4.09Å; Q259-W263 HydrophobicContact CG-CZ2 3.5Å; Q259-W263 VanDerWaalsContact NE2-CZ2 3.34Å; Q259-W263 PolarHBondContact O-N 2.96Å; Q259-W263 VanDerWaalsContact OE1-CH2 3.31Å; T260-W263 PolarHBondContact O-N 2.72Å; K261-W263 VanDerWaalsContact C-N 3.32Å; K261-W263 PolarHBondContact O-N 3.47Å; W263-I618 PolarHBondContact NE1-O 3.28Å; W263-F658 HydrophobicContact CB-CE1 4.35Å; W263-F658 AromaticContact CD1-CE1 3.39Å; W263-F658 AromaticContact CD1-CZ 3.45Å; W263-F658 VanDerWaalsContact CD1-CZ 3.45Å; W263-F658 HydrophobicContact CD2-CE1 4.19Å; W263-F658 AromaticContact CG-CE1 3.75Å; W263-F658 HydrophobicContact CG-CE1 3.75Å; W263-F658 HydrophobicContact CG-CZ 4.23Å; W263-F658 AromaticContact NE1-CE1 3.62Å; W263-F658 AromaticContact NE1-CZ 3.31Å; W263-F658 VanDerWaalsContact NE1-CZ 3.31Å; W263-R663 WeakPolarHBondContact O-CD 3.33Å; W263-R663 VanDerWaalsContact O-CZ 3.29Å; W263-R663 PolarHBondContact O-NE 3.18Å; W263-R663 PolarHBondContact O-NH1 3.23Å; W263-W668 HydrophobicContact CB-CD2 4.37Å; W263-W668 HydrophobicContact CB-CE3 3.83Å; W263-W668 HydrophobicContact CB-CZ3 4.21Å; W263-W668 HydrophobicContact CD2-CE3 4.44Å; W263-W668 HydrophobicContact CD2-CH2 4.37Å; W263-W668 AromaticContact CD2-CZ3 3.91Å; W263-W668 HydrophobicContact CD2-CZ3 3.91Å; W263-W668 HydrophobicContact CE3-CE3 4.4Å; W263-W668 AromaticContact CE3-CH2 3.7Å; W263-W668 HydrophobicContact CE3-CH2 3.7Å; W263-W668 HydrophobicContact CE3-CZ2 4.38Å; W263-W668 AromaticContact CE3-CZ3 3.7Å; W263-W668 HydrophobicContact CE3-CZ3 3.7Å; W263-W668 HydrophobicContact CG-CE3 4.27Å; W263-W668 HydrophobicContact CG-CZ3 4.18Å; W263-W668 AromaticContact CZ3-CH2 3.98Å; W263-W668 HydrophobicContact CZ3-CH2 3.98Å; W263-W668 HydrophobicContact CZ3-CZ3 4.31Å; W263-W668 WeakPolarHBondContact O-CB 3.26Å; W263-T802 HydrophobicContact CZ3-CG2 3.83Å; W263-L804 HydrophobicContact CE3-CD2 4.01Å; W263-L804 HydrophobicContact CZ3-CD2 4.32Å
264V86.4Confident84.8Confident1 Ų128.8 Ų28.81%0.00617%0.165CC..Hα-helixtrans-77.8-30-175173.30000111.3T260 T266 Y540 R663 S664 I665 W668 L804T260-V264 HydrophobicContact CG2-CG2 4.35Å; T260-V264 WeakPolarHBondContact O-CB 3.42Å; T260-V264 PolarHBondContact O-N 3.26Å; V264-T266 WeakPolarHBondContact CG1-OG1 3.13Å; V264-T266 PolarHBondContact O-N 2.8Å; V264-Y540 WeakPolarHBondContact CG1-OH 3.5Å; V264-R663 CarbonylContact O-C 3.58Å; V264-R663 VanDerWaalsContact O-CB 3.26Å; V264-R663 WeakPolarHBondContact O-CB 3.49Å; V264-S664 PolarHBondContact O-N 3.49Å; V264-I665 HydrophobicContact CG1-CB 4.32Å; V264-W668 HydrophobicContact CG2-CG 4.34Å; V264-L804 HydrophobicContact CG2-CD1 4.21Å
265G80Confident84.4Confident47 Ų4726.7 Ų26.749%0.48516%0.156SC..  trans72.8-43.4179.700000114K261K261-G265 WeakPolarHBondContact O-CA 3.33Å; K261-G265 PolarHBondContact O-N 3.1Å
266T76.4Confident83.8Confident19 Ų1929.2 Ų29.212%0.11717%0.168CC..SBendtrans-83.5160.6175.757.80000112.5V264 L274 R663V264-T266 WeakPolarHBondContact CG1-OG1 3.13Å; V264-T266 PolarHBondContact O-N 2.8Å; T266-L274 HydrophobicContact CG2-CD1 3.52Å; T266-R663 VanDerWaalsContact CG2-O 3.22Å; T266-R663 WeakPolarHBondContact CG2-O 3.46Å
267G75.2Confident83.2Confident48 Ų4833.7 Ų33.750%0.49519%0.185SC..  trans-71.8-159.9167.800000112.6R269 Y540G267-R269 PolarHBondContact O-N 3.31Å; G267-Y540 PolarHBondContact O-OH 2.88Å
268H80.4Confident82.6Confident61 Ų6131.5 Ų31.528%0.28218%0.177SC..SBendtrans-69.9-25174.777.9-91.8000113.1Y540 D729 H806 K808H268-Y540 HydrophobicContact CB-CE2 4.36Å; H268-D729 IonicContact CD2-OD2 2.8Å; H268-D729 PolarHBondContact CD2-OD2 3.42Å; H268-D729 IonicContact NE2-OD2 3.88Å; H268-H806 VanDerWaalsContact CB-CE1 3.41Å; H268-H806 WeakPolarHBondContact CB-CE1 3.43Å; H268-H806 WeakPolarHBondContact CB-NE2 3.31Å; H268-K808 HydrophobicContact CB-CD 4.43Å; H268-K808 PolarHBondContact CD2-NZ 3.33Å; H268-K808 PolarHBondContact NE2-NZ 2.94Å
269R84.4Confident81.9Confident61 Ų6131.2 Ų31.223%0.2318%0.176CC..EExtended strand (participates in β ladder)trans-97.6133.6173.8-87.7157.1-176.7-146.60.3109G267 D729 T731G267-R269 PolarHBondContact O-N 3.31Å; R269-D729 CarbonylContact C-O 3.53Å; R269-D729 VanDerWaalsContact CA-O 3.32Å; R269-D729 WeakPolarHBondContact CA-O 3.28Å; R269-D729 HydrophobicContact CB-CB 4.5Å; R269-D729 HydrophobicContact CG-CB 3.64Å; R269-T731 HydrophobicContact CB-CG2 3.55Å; R269-T731 HydrophobicContact CG-CG2 4.01Å
270I85.2Confident80.9Confident3 Ų334.7 Ų34.72%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-98.7128.9179.8-48.2175.5000108.3L272 L274 I275 I665 L666 V728 D729 V730 T731I270-L272 PolarHBondContact O-N 2.87Å; I270-L274 HydrophobicContact CG2-CB 4.12Å; I270-I275 HydrophobicContact CB-CD1 4.17Å; I270-I275 HydrophobicContact CB-CG1 4.22Å; I270-I275 HydrophobicContact CG2-CD1 4.27Å; I270-I275 HydrophobicContact CG2-CG1 3.77Å; I270-I665 HydrophobicContact CD1-CG2 3.7Å; I270-I665 HydrophobicContact CG1-CG2 4.47Å; I270-L666 HydrophobicContact CD1-CD1 4Å; I270-L666 HydrophobicContact CD1-CG 4.11Å; I270-V728 HydrophobicContact CD1-CB 3.84Å; I270-V728 HydrophobicContact CD1-CG1 4.03Å; I270-V728 HydrophobicContact CD1-CG2 3.98Å; I270-D729 PolarHBondContact N-O 3.48Å; I270-V730 CarbonylContact O-C 3.54Å; I270-V730 WeakPolarHBondContact O-CA 3.28Å; I270-V730 WeakPolarHBondContact O-CG1 3.15Å; I270-T731 PolarHBondContact O-N 3.46Å; I270-T731 PolarHBondContact O-OG1 3.47Å
271P84.7Confident79.3Confident30 Ų3038.9 Ų38.920%0.19523%0.228CC..EExtended strand (participates in β ladder)trans-51135166.5-27.734.6000111.9S273 L274 I275 T731P271-S273 VanDerWaalsContact C-N 3.25Å; P271-S273 PolarHBondContact O-N 3.46Å; P271-L274 HydrophobicContact CB-CD1 4.37Å; P271-L274 HydrophobicContact CB-CG 4.26Å; P271-L274 HydrophobicContact CG-CD1 4.08Å; P271-L274 PolarHBondContact O-N 3.05Å; P271-L274 VanDerWaalsContact O-N 3.12Å; P271-I275 PolarHBondContact O-N 2.91Å; P271-T731 WeakPolarHBondContact CA-OG1 3.49Å
272L80.2Confident77.6Confident15 Ų1538.7 Ų38.78%0.07923%0.234CC..Hα-helixtrans-58.4-39.9179.8-179.559.8000111.3I270 L274 I275 H276 V730 T731 L846I270-L272 PolarHBondContact O-N 2.87Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 2.9Å; L272-I275 WeakPolarHBondContact O-CB 3.5Å; L272-I275 PolarHBondContact O-N 3.38Å; L272-I275 VanDerWaalsContact O-N 3.1Å; L272-H276 PolarHBondContact O-CD2 3.38Å; L272-H276 PolarHBondContact O-N 2.88Å; L272-V730 HydrophobicContact CB-CG1 3.94Å; L272-V730 HydrophobicContact CD1-CG1 4.12Å; L272-T731 PolarHBondContact N-O 3.23Å; L272-L846 HydrophobicContact CD1-CD1 4.49Å; L272-L846 HydrophobicContact CD1-CD2 4.24Å; L272-L846 HydrophobicContact CD2-CD1 3.92Å
273S80.5Confident75.6Confident65 Ų6541.7 Ų41.746%0.45525%0.252SS..Hα-helixtrans-51.9-4117448.10000114.1P271 H276 R277 D733P271-S273 VanDerWaalsContact C-N 3.25Å; P271-S273 PolarHBondContact O-N 3.46Å; S273-H276 PolarHBondContact O-N 3.15Å; S273-R277 PolarHBondContact O-N 3.5Å; S273-D733 VanDerWaalsContact CB-OD2 3.22Å; S273-D733 WeakPolarHBondContact CB-OD2 3.28Å; S273-D733 PolarHBondContact N-OD2 2.87Å; S273-D733 PolarHBondContact OG-OD2 2.71Å
274L81.9Confident73.6Confident18 Ų1846.4 Ų46.49%0.09428%0.277CS..Hα-helixtrans-71.1-36178.5-69.2-179.8000112.6T266 I270 P271 L272 R277 D278 P662T266-L274 HydrophobicContact CG2-CD1 3.52Å; I270-L274 HydrophobicContact CG2-CB 4.12Å; P271-L274 HydrophobicContact CB-CD1 4.37Å; P271-L274 HydrophobicContact CB-CG 4.26Å; P271-L274 HydrophobicContact CG-CD1 4.08Å; P271-L274 PolarHBondContact O-N 3.05Å; P271-L274 VanDerWaalsContact O-N 3.12Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 2.9Å; L274-R277 PolarHBondContact O-N 3.21Å; L274-D278 WeakPolarHBondContact O-CB 3.4Å; L274-D278 PolarHBondContact O-N 3.38Å; L274-D278 VanDerWaalsContact O-N 3.07Å; L274-P662 HydrophobicContact CD1-CB 4.44Å; L274-P662 HydrophobicContact CD2-CB 3.7Å; L274-P662 HydrophobicContact CD2-CG 3.66Å
275I80.9Confident71.2Confident0 Ų052.5 Ų52.50%031%0.31CS..Hα-helixtrans-63-49.3174.7-65.7176000109.4I270 P271 L272 R277 D278 T279 V728 V730 V791I270-I275 HydrophobicContact CB-CD1 4.17Å; I270-I275 HydrophobicContact CB-CG1 4.22Å; I270-I275 HydrophobicContact CG2-CD1 4.27Å; I270-I275 HydrophobicContact CG2-CG1 3.77Å; P271-I275 PolarHBondContact O-N 2.91Å; L272-I275 WeakPolarHBondContact O-CB 3.5Å; L272-I275 PolarHBondContact O-N 3.38Å; L272-I275 VanDerWaalsContact O-N 3.1Å; I275-R277 VanDerWaalsContact C-N 3.33Å; I275-R277 PolarHBondContact O-N 3.36Å; I275-D278 PolarHBondContact O-N 2.96Å; I275-D278 VanDerWaalsContact O-N 3.17Å; I275-T279 HydrophobicContact CG2-CG2 4.34Å; I275-T279 WeakPolarHBondContact O-CB 3.45Å; I275-T279 VanDerWaalsContact O-CG2 3.27Å; I275-T279 WeakPolarHBondContact O-CG2 3.47Å; I275-T279 PolarHBondContact O-N 3.31Å; I275-T279 VanDerWaalsContact O-N 3.1Å; I275-T279 PolarHBondContact O-OG1 3.5Å; I275-V728 HydrophobicContact CD1-CG2 4.43Å; I275-V730 HydrophobicContact CD1-CB 4.27Å; I275-V730 HydrophobicContact CD1-CG1 4.01Å; I275-V730 HydrophobicContact CD1-CG2 3.36Å; I275-V791 HydrophobicContact CD1-CB 4.38Å; I275-V791 HydrophobicContact CG2-CG1 4.19Å
276H76.6Confident69.5Low58 Ų5852.1 Ų52.127%0.26930%0.298SS..Hα-helixtrans-56.3-46.3176.6-82.8-90.6000113L272 S273 D278 T279 S280 R853L272-H276 PolarHBondContact O-CD2 3.38Å; L272-H276 PolarHBondContact O-N 2.88Å; S273-H276 PolarHBondContact O-N 3.15Å; H276-D278 VanDerWaalsContact C-N 3.27Å; H276-D278 PolarHBondContact O-N 2.91Å; H276-T279 PolarHBondContact O-N 2.87Å; H276-S280 WeakPolarHBondContact O-CB 3.47Å; H276-S280 PolarHBondContact O-N 3.27Å; H276-R853 VanDerWaalsContact CA-NH1 3.27Å; H276-R853 PolarHBondContact CD2-NH1 3.28Å; H276-R853 PolarHBondContact CE1-NH1 3.09Å; H276-R853 PolarHBondContact CE1-NH2 2.98Å; H276-R853 PolarHBondContact ND1-NH1 3.45Å; H276-R853 PolarHBondContact NE2-NH2 3.46Å
277R78.9Confident67.6Low94 Ų9458.4 Ų58.436%0.35533%0.331SS..Hα-helixtrans-61.2-38179.2-172-164.765.7164.1-6.7112.5S273 L274 I275 T279 P662S273-R277 PolarHBondContact O-N 3.5Å; L274-R277 PolarHBondContact O-N 3.21Å; I275-R277 VanDerWaalsContact C-N 3.33Å; I275-R277 PolarHBondContact O-N 3.36Å; R277-T279 VanDerWaalsContact C-N 3.34Å; R277-P662 PolarHBondContact NH1-O 2.63Å; R277-P662 PolarHBondContact NH2-O 3.41Å
278D77.4Confident66.1Low5 Ų559.6 Ų59.63%0.02733%0.325CS..Hα-helixtrans-83.5-13.9-174-65.8-5.9000113L274 I275 H276 R659 L855 K856L274-D278 WeakPolarHBondContact O-CB 3.4Å; L274-D278 PolarHBondContact O-N 3.38Å; L274-D278 VanDerWaalsContact O-N 3.07Å; I275-D278 PolarHBondContact O-N 2.96Å; I275-D278 VanDerWaalsContact O-N 3.17Å; H276-D278 VanDerWaalsContact C-N 3.27Å; H276-D278 PolarHBondContact O-N 2.91Å; D278-R659 IonicContact OD1-CZ 3.2Å; D278-R659 IonicContact OD1-NH1 3.31Å; D278-R659 PolarHBondContact OD1-NH1 3.41Å; D278-R659 IonicContact OD1-NH2 2.79Å; D278-R659 PolarHBondContact OD1-NH2 3.34Å; D278-R659 IonicContact OD2-NH1 3.9Å; D278-R659 PolarHBondContact OD2-NH1 2.98Å; D278-L855 HydrophobicContact CB-CD1 4.39Å; D278-K856 PolarHBondContact O-N 2.04Å
279T73.5Confident63.5Low2 Ų262.7 Ų62.71%0.01235%0.354CS..Hα-helixtrans-118.40.8-176.270.10000114.3I275 H276 R277 P281 S282 R853 K854I275-T279 HydrophobicContact CG2-CG2 4.34Å; I275-T279 WeakPolarHBondContact O-CB 3.45Å; I275-T279 VanDerWaalsContact O-CG2 3.27Å; I275-T279 WeakPolarHBondContact O-CG2 3.47Å; I275-T279 PolarHBondContact O-N 3.31Å; I275-T279 VanDerWaalsContact O-N 3.1Å; I275-T279 PolarHBondContact O-OG1 3.5Å; H276-T279 PolarHBondContact O-N 2.87Å; R277-T279 VanDerWaalsContact C-N 3.34Å; T279-P281 CarbonylContact O-C 3.59Å; T279-P281 VanDerWaalsContact O-C 3.3Å; T279-S282 PolarHBondContact O-N 3.12Å; T279-R853 HydrophobicContact CG2-CB 3.57Å; T279-R853 HydrophobicContact CG2-CG 4.34Å; T279-R853 WeakPolarHBondContact OG1-CD 3.39Å; T279-R853 PolarHBondContact OG1-NH1 3.19Å; T279-K854 WeakPolarHBondContact CA-O 3.39Å; T279-K854 VanDerWaalsContact CB-O 3.25Å; T279-K854 WeakPolarHBondContact CB-O 2.87Å
280S67.4Low61.1Low72 Ų7265.1 Ų65.150%0.50338%0.375SS..  trans-90.3138.9-175.8-176.20000113H276H276-S280 WeakPolarHBondContact O-CB 3.47Å; H276-S280 PolarHBondContact O-N 3.27Å
281P55.8Low58.3Low93 Ų9374.5 Ų74.560%0.60442%0.416SS*.SBendcis-74.8141.4-7.129.2-31.6000111.8T279 D283T279-P281 CarbonylContact O-C 3.59Å; T279-P281 VanDerWaalsContact O-C 3.3Å; P281-D283 PolarHBondContact O-N 3.1Å
282S51.2Low55.5Low63 Ų6375.9 Ų75.944%0.44144%0.436SS..  trans-76.252.1179.8-58.10000111.4T279 L284T279-S282 PolarHBondContact O-N 3.12Å; S282-L284 PolarHBondContact O-N 2.99Å
283D44.9Very low53.4Low114 Ų11484 Ų8461%0.6148%0.479SS*.  trans-82.6119.1177.5-63.2-30.1000108.9P281 N285P281-D283 PolarHBondContact O-N 3.1Å; D283-N285 PolarHBondContact O-N 3.32Å
284L44.2Very low51.3Low106 Ų10688.6 Ų88.656%0.55549%0.493SS*.  trans-73.256.8-176.9-158.493.1000111.7S282S282-L284 PolarHBondContact O-N 2.99Å
285N36.3Very low49.3Very low128 Ų12895 Ų9568%0.68453%0.526SS*.  trans-10369.4168.2-107.2-13000108.7D283 D287 K854D283-N285 PolarHBondContact O-N 3.32Å; N285-D287 PolarHBondContact O-N 3.06Å; N285-K854 PolarHBondContact O-NZ 3.41Å
286V44.2Very low48.1Very low40 Ų4098.3 Ų98.324%0.24255%0.547CS..  trans-63.3130.9158.4-175.40000105.1I288 L723V286-I288 HydrophobicContact CB-CG1 4.34Å; V286-I288 HydrophobicContact CG1-CD1 4.24Å; V286-I288 HydrophobicContact CG1-CG1 3.86Å; V286-I288 PolarHBondContact O-N 3.02Å; V286-L723 HydrophobicContact CG1-CD2 4.32Å
287D36.8Very low47.7Very low151 Ų15199.5 Ų99.581%0.80756%0.556SS**SBendtrans-63.939.9173.4-88.2-39.1000112.7N285 S289N285-D287 PolarHBondContact O-N 3.06Å; D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 3.47Å
288I43.5Very low47.9Very low72 Ų7299.5 Ų99.537%0.36957%0.568SS.*  trans-73100.2149.7-55.4172.3000103.3V286 V290 L723V286-I288 HydrophobicContact CB-CG1 4.34Å; V286-I288 HydrophobicContact CG1-CD1 4.24Å; V286-I288 HydrophobicContact CG1-CG1 3.86Å; V286-I288 PolarHBondContact O-N 3.02Å; I288-V290 HydrophobicContact CG2-CB 3.61Å; I288-V290 HydrophobicContact CG2-CG2 3.42Å; I288-V290 VanDerWaalsContact CG2-CG2 3.42Å; I288-V290 PolarHBondContact O-N 3.32Å; I288-L723 HydrophobicContact CD1-CD1 4.22Å
289S26.2Very low48.3Very low127 Ų12799.6 Ų99.689%0.88857%0.568SS**  trans-64.162.9162.9-1680000109.6D287D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 3.47Å
290V33.4Very low49Very low111 Ų111100.3 Ų100.367%0.67357%0.572SS**SBendtrans-125.687.4166177.40000103.7I288 G292I288-V290 HydrophobicContact CG2-CB 3.61Å; I288-V290 HydrophobicContact CG2-CG2 3.42Å; I288-V290 VanDerWaalsContact CG2-CG2 3.42Å; I288-V290 PolarHBondContact O-N 3.32Å; V290-G292 PolarHBondContact O-N 2.96Å
291K25.7Very low50Low201 Ų201100.4 Ų100.487%0.87457%0.567SS**  trans8.4107.7161-65.1179.1175.7-1790116.4
292G26.8Very low51.5Low59 Ų5996.8 Ų96.861%0.60854%0.542SS*.SBendtrans66.5119.9136.600000119V290 Q294V290-G292 PolarHBondContact O-N 2.96Å; G292-Q294 WeakPolarHBondContact O-CG 3.41Å; G292-Q294 PolarHBondContact O-N 3.46Å
293D35.7Very low53.3Low184 Ų18497.6 Ų97.698%0.98454%0.539SS*.SBendtrans42.817.7148.4-83.9-4.1000120.8
294Q35.4Very low55.5Low163 Ų16393.9 Ų93.976%0.76252%0.516SS*.  trans-106.5141.7-178.7-68.7-172.86.300112.1G292G292-Q294 WeakPolarHBondContact O-CG 3.41Å; G292-Q294 PolarHBondContact O-N 3.46Å
295I41.4Very low57.8Low153 Ų15389 Ų8979%0.78549%0.49SS*.  trans-16.9133161.7-59.9152.5000111.3D297I295-D297 PolarHBondContact O-N 3.36Å
296P54.9Low60.6Low68 Ų6883 Ų8344%0.44246%0.458SS..  trans-44.2129.6176.7-26.232.4000110.4L300P296-L300 HydrophobicContact CB-CB 4.45Å
297D69.4Low63Low83 Ų8382.3 Ų82.344%0.44445%0.451SS..  trans-41.1127.2179.7-172.9-11.5000108.9I295 W299 L300I295-D297 PolarHBondContact O-N 3.36Å; D297-W299 VanDerWaalsContact CG-NE1 3.27Å; D297-W299 PolarHBondContact O-N 2.55Å; D297-W299 VanDerWaalsContact OD1-CD1 3.29Å; D297-W299 PolarHBondContact OD2-NE1 3.35Å; D297-L300 PolarHBondContact O-N 2.74Å
298P81.4Confident65.8Low94 Ų9475.1 Ų75.161%0.6141%0.413SS*.THydrogen-bonded Turntrans-53-10.1-167.7-32.134.3000117.2R304P298-R304 WeakPolarHBondContact O-CD 3Å; P298-R304 PolarHBondContact O-NH1 2.9Å
299W86.9Confident68.3Low7 Ų771.8 Ų71.83%0.02740%0.396CS..THydrogen-bonded Turntrans-83.4-20.9171.276.3-81.3000114.4D297 R304 K510 Y512 L534 L723D297-W299 VanDerWaalsContact CG-NE1 3.27Å; D297-W299 PolarHBondContact O-N 2.55Å; D297-W299 VanDerWaalsContact OD1-CD1 3.29Å; D297-W299 PolarHBondContact OD2-NE1 3.35Å; W299-R304 VanDerWaalsContact CA-NH1 3.3Å; W299-K510 HydrophobicContact CB-CD 4.46Å; W299-K510 HydrophobicContact CB-CG 4.01Å; W299-K510 HydrophobicContact CD2-CD 3.71Å; W299-K510 HydrophobicContact CD2-CG 4.08Å; W299-K510 HydrophobicContact CE3-CB 4.15Å; W299-K510 HydrophobicContact CE3-CD 3.94Å; W299-K510 HydrophobicContact CE3-CG 4.15Å; W299-K510 HydrophobicContact CG-CD 3.91Å; W299-K510 HydrophobicContact CG-CG 4Å; W299-K510 HydrophobicContact CZ3-CD 4.42Å; W299-Y512 WeakPolarHBondContact CB-OH 3.44Å; W299-Y512 HydrophobicContact CE3-CE1 4.23Å; W299-Y512 AromaticContact CE3-CZ 3.98Å; W299-Y512 WeakPolarHBondContact O-CE1 3.21Å; W299-Y512 PolarHBondContact O-OH 3.21Å; W299-L534 HydrophobicContact CH2-CB 4.09Å; W299-L534 HydrophobicContact CZ3-CB 3.63Å; W299-L723 HydrophobicContact CH2-CD1 4.28Å; W299-L723 HydrophobicContact CZ2-CD1 4.26Å
300L88.5Confident71.5Confident18 Ų1866 Ų669%0.09436%0.355CS..SBendtrans-89.3-2.3176.1-63.7178.8000113.4P296 D297 I302 I305 L534 L723 W794P296-L300 HydrophobicContact CB-CB 4.45Å; D297-L300 PolarHBondContact O-N 2.74Å; L300-I302 PolarHBondContact O-N 3.43Å; L300-I305 WeakPolarHBondContact O-CD1 3.34Å; L300-L534 HydrophobicContact CD2-CD1 4.4Å; L300-L534 HydrophobicContact CD2-CD2 3.99Å; L300-L723 HydrophobicContact CD1-CD1 4.21Å; L300-L723 HydrophobicContact CD2-CD1 4.38Å; L300-W794 HydrophobicContact CD2-CH2 4.19Å
301D86.6Confident74.4Confident74 Ų7460.7 Ų60.740%0.39632%0.323SS..  trans-58.4135.5176.3174.732.4000112Q303 R304 I305D301-Q303 VanDerWaalsContact C-N 3.28Å; D301-Q303 PolarHBondContact O-N 2.88Å; D301-Q303 PolarHBondContact OD1-N 2.93Å; D301-Q303 WeakPolarHBondContact OD2-CB 3.36Å; D301-R304 HydrophobicContact CB-CB 4.4Å; D301-R304 WeakPolarHBondContact O-CB 3.5Å; D301-R304 PolarHBondContact O-N 2.83Å; D301-R304 VanDerWaalsContact O-N 3.13Å; D301-I305 WeakPolarHBondContact O-CG1 3.33Å; D301-I305 PolarHBondContact O-N 2.88Å
302I87.4Confident77.8Confident16 Ų1651.1 Ų51.18%0.08228%0.281CS..Hα-helixtrans-63.7-34.3-177-169.261.5000112.1L300 R304 I305 Y306 V822 L825 R826 L829L300-I302 PolarHBondContact O-N 3.43Å; I302-R304 VanDerWaalsContact C-N 3.27Å; I302-R304 PolarHBondContact O-N 2.89Å; I302-I305 HydrophobicContact CD1-CB 4.43Å; I302-I305 PolarHBondContact O-N 3.43Å; I302-Y306 WeakPolarHBondContact O-CB 3.32Å; I302-Y306 PolarHBondContact O-N 3.03Å; I302-V822 HydrophobicContact CD1-CG1 4.25Å; I302-L825 HydrophobicContact CD1-CD2 3.68Å; I302-L825 HydrophobicContact CD1-CG 3.96Å; I302-L825 HydrophobicContact CG1-CG 4.34Å; I302-R826 HydrophobicContact CG1-CB 3.97Å; I302-R826 HydrophobicContact CG1-CG 4.39Å; I302-R826 HydrophobicContact CG2-CG 4.45Å; I302-L829 HydrophobicContact CB-CD1 3.89Å; I302-L829 HydrophobicContact CG1-CD1 3.92Å; I302-L829 HydrophobicContact CG2-CB 4.4Å; I302-L829 HydrophobicContact CG2-CD1 3.69Å
303Q89.3Confident80.9Confident81 Ų8148.6 Ų48.638%0.37925%0.254SS..Hα-helixtrans-64.1-39.7178.1-177.664.116.600110.1D301 R307D301-Q303 VanDerWaalsContact C-N 3.28Å; D301-Q303 PolarHBondContact O-N 2.88Å; D301-Q303 PolarHBondContact OD1-N 2.93Å; D301-Q303 WeakPolarHBondContact OD2-CB 3.36Å; Q303-R307 PolarHBondContact O-N 2.85Å
304R91.3Very high83.5Confident35 Ų3540 Ų4013%0.13221%0.209CC..Hα-helixtrans-67.6-47.4173.7-170.4179.4179.9165.8-2.5111.8P298 W299 D301 I302 Y306 R307 I308 Y512P298-R304 WeakPolarHBondContact O-CD 3Å; P298-R304 PolarHBondContact O-NH1 2.9Å; W299-R304 VanDerWaalsContact CA-NH1 3.3Å; D301-R304 HydrophobicContact CB-CB 4.4Å; D301-R304 WeakPolarHBondContact O-CB 3.5Å; D301-R304 PolarHBondContact O-N 2.83Å; D301-R304 VanDerWaalsContact O-N 3.13Å; I302-R304 VanDerWaalsContact C-N 3.27Å; I302-R304 PolarHBondContact O-N 2.89Å; R304-Y306 VanDerWaalsContact C-N 3.26Å; R304-Y306 PolarHBondContact O-N 3.41Å; R304-R307 PolarHBondContact O-N 2.94Å; R304-R307 VanDerWaalsContact O-N 3.09Å; R304-I308 HydrophobicContact CG-CG1 4.38Å; R304-I308 WeakPolarHBondContact O-CG1 3.27Å; R304-I308 PolarHBondContact O-N 3.11Å; R304-Y512 WeakPolarHBondContact CD-OH 3.34Å; R304-Y512 PolarHBondContact NE-OH 3.11Å; R304-Y512 VanDerWaalsContact NE-OH 3.17Å
305I93.9Very high86.1Confident3 Ų332.2 Ų32.22%0.01517%0.172CC..Hα-helixtrans-56.5-43.5177.4-66.6168.4000110.6L300 D301 I302 I308 A309 Y512 F514 L534 L725 V822L300-I305 WeakPolarHBondContact O-CD1 3.34Å; D301-I305 WeakPolarHBondContact O-CG1 3.33Å; D301-I305 PolarHBondContact O-N 2.88Å; I302-I305 HydrophobicContact CD1-CB 4.43Å; I302-I305 PolarHBondContact O-N 3.43Å; I305-I308 PolarHBondContact O-N 3.24Å; I305-A309 WeakPolarHBondContact O-CB 3.46Å; I305-A309 PolarHBondContact O-N 2.96Å; I305-Y512 HydrophobicContact CG1-CE1 4.08Å; I305-F514 HydrophobicContact CG2-CE1 4.28Å; I305-F514 HydrophobicContact CG2-CZ 4.31Å; I305-L534 HydrophobicContact CD1-CD2 3.81Å; I305-L534 HydrophobicContact CG1-CD2 4.15Å; I305-L725 HydrophobicContact CD1-CD2 4.34Å; I305-V822 HydrophobicContact CG2-CG1 4.07Å
306Y94.4Very high88.3Confident4 Ų425.9 Ų25.92%0.01614%0.139CC..Hα-helixtrans-59.4-48.1174.6174.7-90.6000111.9I302 R304 I308 A309 E310 L819 V822I302-Y306 WeakPolarHBondContact O-CB 3.32Å; I302-Y306 PolarHBondContact O-N 3.03Å; R304-Y306 VanDerWaalsContact C-N 3.26Å; R304-Y306 PolarHBondContact O-N 3.41Å; Y306-I308 VanDerWaalsContact C-N 3.34Å; Y306-I308 PolarHBondContact O-N 3.3Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 3.5Å; Y306-A309 VanDerWaalsContact O-N 3.15Å; Y306-E310 HydrophobicContact CD1-CG 4.38Å; Y306-E310 HydrophobicContact CE1-CG 3.77Å; Y306-E310 WeakPolarHBondContact CE1-OE1 3.19Å; Y306-E310 VanDerWaalsContact CZ-OE1 3.23Å; Y306-E310 PolarHBondContact O-N 3.13Å; Y306-E310 PolarHBondContact OH-OE1 3.28Å; Y306-L819 HydrophobicContact CD2-CD1 4.29Å; Y306-L819 HydrophobicContact CE2-CD1 3.97Å; Y306-V822 HydrophobicContact CD2-CG1 4.23Å
307R94.6Very high89.9Confident24 Ų2422.8 Ų22.89%0.09112%0.12CC..Hα-helixtrans-59.7-44.1177.7177.256.2178.91730.6111.9Q303 R304 A309 E310 L311 T375 D401Q303-R307 PolarHBondContact O-N 2.85Å; R304-R307 PolarHBondContact O-N 2.94Å; R304-R307 VanDerWaalsContact O-N 3.09Å; R307-A309 VanDerWaalsContact C-N 3.34Å; R307-E310 IonicContact NH1-OE2 2.91Å; R307-E310 PolarHBondContact NH1-OE2 3.04Å; R307-E310 WeakPolarHBondContact O-CB 3.31Å; R307-E310 PolarHBondContact O-N 2.97Å; R307-L311 HydrophobicContact CG-CD1 4.36Å; R307-L311 WeakPolarHBondContact O-CG 3.35Å; R307-L311 PolarHBondContact O-N 2.7Å; R307-T375 PolarHBondContact NH1-O 2.82Å; R307-T375 PolarHBondContact NH2-O 2.99Å; R307-D401 IonicContact CZ-OD1 3.78Å; R307-D401 IonicContact CZ-OD2 3.03Å; R307-D401 IonicContact NE-OD1 3.09Å; R307-D401 PolarHBondContact NE-OD1 3.38Å; R307-D401 IonicContact NE-OD2 2.66Å; R307-D401 PolarHBondContact NE-OD2 3.42Å; R307-D401 IonicContact NH2-OD1 3.37Å; R307-D401 PolarHBondContact NH2-OD1 3.31Å; R307-D401 IonicContact NH2-OD2 3.41Å
308I95.7Very high90.4Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-65.7-38.5176.3-58.5-53.2000110.9R304 I305 Y306 E310 L311 V312 V484 C486 Y512 F514R304-I308 HydrophobicContact CG-CG1 4.38Å; R304-I308 WeakPolarHBondContact O-CG1 3.27Å; R304-I308 PolarHBondContact O-N 3.11Å; I305-I308 PolarHBondContact O-N 3.24Å; Y306-I308 VanDerWaalsContact C-N 3.34Å; Y306-I308 PolarHBondContact O-N 3.3Å; I308-E310 VanDerWaalsContact C-N 3.3Å; I308-E310 PolarHBondContact O-N 3.17Å; I308-L311 HydrophobicContact CD1-CD1 4.01Å; I308-L311 WeakPolarHBondContact O-CB 2.93Å; I308-L311 PolarHBondContact O-N 2.79Å; I308-L311 VanDerWaalsContact O-N 3.13Å; I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 2.92Å; I308-V484 HydrophobicContact CD1-CG1 3.93Å; I308-V484 HydrophobicContact CG1-CG1 4.45Å; I308-C486 HydrophobicContact CG2-CB 3.49Å; I308-C486 VanDerWaalsContact CG2-CB 3.49Å; I308-Y512 HydrophobicContact CB-CG 4.48Å; I308-Y512 HydrophobicContact CG1-CD2 4.28Å; I308-Y512 HydrophobicContact CG1-CE2 4.18Å; I308-Y512 HydrophobicContact CG2-CD2 4.01Å; I308-Y512 HydrophobicContact CG2-CG 3.9Å; I308-F514 HydrophobicContact CG2-CE2 3.92Å; I308-F514 HydrophobicContact CG2-CZ 4.37Å
309A95.5Very high90.4Very high2 Ų221.7 Ų21.72%0.01710%0.104CC..Hα-helixtrans-60.6-38175.300000112I305 Y306 R307 T313 F514 L819I305-A309 WeakPolarHBondContact O-CB 3.46Å; I305-A309 PolarHBondContact O-N 2.96Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 3.5Å; Y306-A309 VanDerWaalsContact O-N 3.15Å; R307-A309 VanDerWaalsContact C-N 3.34Å; A309-T313 VanDerWaalsContact O-CB 3.24Å; A309-T313 WeakPolarHBondContact O-CB 3.22Å; A309-T313 PolarHBondContact O-N 3.03Å; A309-T313 PolarHBondContact O-OG1 3.41Å; A309-F514 HydrophobicContact CB-CD1 4.44Å; A309-F514 HydrophobicContact CB-CE1 3.62Å; A309-F514 HydrophobicContact CB-CZ 3.71Å; A309-L819 HydrophobicContact CB-CD1 3.78Å
310E94.1Very high90.2Very high5 Ų522.2 Ų22.22%0.02311%0.108CC..Hα-helixtrans-61-46.8172.4-67.8-177139.700111.3Y306 R307 I308 V312 T313 A314 F374 S763 L765 L819Y306-E310 HydrophobicContact CD1-CG 4.38Å; Y306-E310 HydrophobicContact CE1-CG 3.77Å; Y306-E310 WeakPolarHBondContact CE1-OE1 3.19Å; Y306-E310 VanDerWaalsContact CZ-OE1 3.23Å; Y306-E310 PolarHBondContact O-N 3.13Å; Y306-E310 PolarHBondContact OH-OE1 3.28Å; R307-E310 IonicContact NH1-OE2 2.91Å; R307-E310 PolarHBondContact NH1-OE2 3.04Å; R307-E310 WeakPolarHBondContact O-CB 3.31Å; R307-E310 PolarHBondContact O-N 2.97Å; I308-E310 VanDerWaalsContact C-N 3.3Å; I308-E310 PolarHBondContact O-N 3.17Å; E310-V312 PolarHBondContact O-N 3.03Å; E310-T313 PolarHBondContact O-N 3.41Å; E310-A314 WeakPolarHBondContact O-CB 3.24Å; E310-A314 PolarHBondContact O-N 3.15Å; E310-F374 HydrophobicContact CB-CE1 4.48Å; E310-F374 WeakPolarHBondContact O-CD1 3.17Å; E310-F374 WeakPolarHBondContact O-CE1 3.49Å; E310-S763 WeakPolarHBondContact OE1-CB 3.48Å; E310-L765 HydrophobicContact CG-CD1 4.06Å; E310-L765 WeakPolarHBondContact OE1-CD1 3.42Å; E310-L819 HydrophobicContact CG-CD1 3.95Å
311L94.7Very high89.9Confident0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-64.5-39-179.8-66.4165.3000112.4R307 I308 T375 L377 F397 D401 V408 S410R307-L311 HydrophobicContact CG-CD1 4.36Å; R307-L311 WeakPolarHBondContact O-CG 3.35Å; R307-L311 PolarHBondContact O-N 2.7Å; I308-L311 HydrophobicContact CD1-CD1 4.01Å; I308-L311 WeakPolarHBondContact O-CB 2.93Å; I308-L311 PolarHBondContact O-N 2.79Å; I308-L311 VanDerWaalsContact O-N 3.13Å; L311-T375 HydrophobicContact CD2-CG2 3.79Å; L311-L377 HydrophobicContact CD2-CD1 3.74Å; L311-F397 HydrophobicContact CB-CZ 4.41Å; L311-F397 HydrophobicContact CD2-CZ 4.4Å; L311-F397 WeakPolarHBondContact O-CZ 3.39Å; L311-D401 HydrophobicContact CD1-CB 4.49Å; L311-V408 HydrophobicContact CD1-CB 4.35Å; L311-V408 HydrophobicContact CD1-CG1 4.14Å; L311-V408 HydrophobicContact CD1-CG2 4.15Å; L311-S410 PolarHBondContact O-OG 3.16Å
312V95Very high89.6Confident1 Ų123 Ų231%0.00611%0.105CC..Hα-helixtrans-66.2-44.7175.1169.70000111.1I308 E310 A314 V315 S410 C486 H488 F514I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 2.92Å; E310-V312 PolarHBondContact O-N 3.03Å; V312-A314 VanDerWaalsContact C-N 3.29Å; V312-A314 PolarHBondContact O-N 3.34Å; V312-V315 WeakPolarHBondContact O-CG2 3.42Å; V312-V315 PolarHBondContact O-N 3.05Å; V312-S410 WeakPolarHBondContact CA-OG 3.48Å; V312-C486 HydrophobicContact CG2-CB 3.43Å; V312-C486 VanDerWaalsContact CG2-CB 3.43Å; V312-C486 WeakPolarHBondContact CG2-SG 3.41Å; V312-H488 HydrophobicContact CG1-CB 3.5Å; V312-F514 HydrophobicContact CB-CD2 4.22Å; V312-F514 HydrophobicContact CB-CE2 4.45Å; V312-F514 HydrophobicContact CG1-CD2 4.12Å; V312-F514 HydrophobicContact CG2-CD2 3.79Å; V312-F514 HydrophobicContact CG2-CE2 3.84Å
313T92.6Very high89.1Confident5 Ų524.4 Ų24.43%0.03112%0.116CC..Hα-helixtrans-66.2-35.2-179.7-58.30000111.1A309 E310 V315 Y316 L320 M324 F374 P815 L819A309-T313 VanDerWaalsContact O-CB 3.24Å; A309-T313 WeakPolarHBondContact O-CB 3.22Å; A309-T313 PolarHBondContact O-N 3.03Å; A309-T313 PolarHBondContact O-OG1 3.41Å; E310-T313 PolarHBondContact O-N 3.41Å; T313-V315 VanDerWaalsContact C-N 3.31Å; T313-V315 PolarHBondContact O-N 3.17Å; T313-Y316 WeakPolarHBondContact O-CD2 3.49Å; T313-Y316 PolarHBondContact O-N 2.84Å; T313-L320 HydrophobicContact CG2-CD2 3.32Å; T313-L320 WeakPolarHBondContact O-CD2 3.27Å; T313-M324 HydrophobicContact CG2-SD 4.38Å; T313-F374 HydrophobicContact CG2-CE1 3.71Å; T313-F374 HydrophobicContact CG2-CE2 4.31Å; T313-F374 HydrophobicContact CG2-CZ 3.39Å; T313-P815 HydrophobicContact CG2-CB 4.22Å; T313-L819 HydrophobicContact CG2-CD2 3.98Å
314A91.4Very high88.6Confident4 Ų422 Ų223%0.03311%0.105CC..Hα-helixtrans-61.9-31-179.700000114.3E310 V312 Y316 G317 I371 F374 T375E310-A314 WeakPolarHBondContact O-CB 3.24Å; E310-A314 PolarHBondContact O-N 3.15Å; V312-A314 VanDerWaalsContact C-N 3.29Å; V312-A314 PolarHBondContact O-N 3.34Å; A314-Y316 PolarHBondContact O-N 3.16Å; A314-G317 PolarHBondContact O-N 3.28Å; A314-I371 HydrophobicContact CB-CG1 4.38Å; A314-I371 HydrophobicContact CB-CG2 4.14Å; A314-I371 VanDerWaalsContact O-CG1 3.23Å; A314-I371 WeakPolarHBondContact O-CG1 2.97Å; A314-F374 HydrophobicContact CB-CB 4.08Å; A314-F374 HydrophobicContact CB-CD1 3.71Å; A314-F374 HydrophobicContact CB-CG 4.15Å; A314-T375 HydrophobicContact CB-CG2 3.29Å
315V90.1Very high87.9Confident0 Ų020.6 Ų20.60%010%0.1CC..THydrogen-bonded Turntrans-57.9-25.2-176.5-164.80000112.2V312 T313 G317 Y387 F397 S410 R412V312-V315 WeakPolarHBondContact O-CG2 3.42Å; V312-V315 PolarHBondContact O-N 3.05Å; T313-V315 VanDerWaalsContact C-N 3.31Å; T313-V315 PolarHBondContact O-N 3.17Å; V315-G317 PolarHBondContact O-N 3.27Å; V315-G317 VanDerWaalsContact O-N 3.14Å; V315-Y387 VanDerWaalsContact O-CE1 3.32Å; V315-Y387 WeakPolarHBondContact O-CE1 3.42Å; V315-Y387 PolarHBondContact O-OH 2.55Å; V315-F397 HydrophobicContact CB-CD1 4.39Å; V315-F397 HydrophobicContact CB-CE1 4.26Å; V315-F397 HydrophobicContact CG1-CD1 4.31Å; V315-F397 HydrophobicContact CG2-CD1 3.77Å; V315-F397 HydrophobicContact CG2-CE1 3.41Å; V315-F397 VanDerWaalsContact CG2-CE1 3.41Å; V315-F397 HydrophobicContact CG2-CZ 4.36Å; V315-S410 WeakPolarHBondContact CG2-OG 3.18Å; V315-R412 HydrophobicContact CB-CB 4.24Å; V315-R412 HydrophobicContact CB-CG 4.38Å; V315-R412 HydrophobicContact CG1-CB 3.57Å; V315-R412 HydrophobicContact CG1-CG 4.06Å
316Y87.7Confident86.7Confident19 Ų1924.1 Ų24.18%0.07512%0.118CC..THydrogen-bonded Turntrans-66.8-10.4175.8-70.7-89.2000114.1T313 A314 L320 R412 L415 H488 P815T313-Y316 WeakPolarHBondContact O-CD2 3.49Å; T313-Y316 PolarHBondContact O-N 2.84Å; A314-Y316 PolarHBondContact O-N 3.16Å; Y316-L320 HydrophobicContact CD2-CD2 4.14Å; Y316-L320 HydrophobicContact CG-CD2 4.19Å; Y316-R412 HydrophobicContact CD1-CG 4.13Å; Y316-R412 HydrophobicContact CE1-CG 3.99Å; Y316-R412 HydrophobicContact CE2-CG 4.46Å; Y316-R412 HydrophobicContact CG-CG 4.4Å; Y316-L415 HydrophobicContact CD1-CD2 4.08Å; Y316-L415 HydrophobicContact CE1-CD2 4.23Å; Y316-H488 HydrophobicContact CE2-CB 4.26Å; Y316-H488 AromaticContact CZ-ND1 3.9Å; Y316-H488 PolarHBondContact OH-ND1 2.95Å; Y316-P815 HydrophobicContact CD2-CB 4.4Å; Y316-P815 HydrophobicContact CD2-CG 4.01Å; Y316-P815 HydrophobicContact CE2-CB 4.01Å; Y316-P815 HydrophobicContact CE2-CG 3.76Å
317G86.5Confident85.3Confident4 Ų427.8 Ų27.84%0.04116%0.157CC..Hα-helixtrans64.4-143.1169.200000113.2A314 V315 L319 L320 Y321 A370A314-G317 PolarHBondContact O-N 3.28Å; V315-G317 PolarHBondContact O-N 3.27Å; V315-G317 VanDerWaalsContact O-N 3.14Å; G317-L319 PolarHBondContact O-N 3.05Å; G317-L320 PolarHBondContact O-N 2.86Å; G317-Y321 PolarHBondContact O-N 3.06Å; G317-Y321 VanDerWaalsContact O-N 3.15Å; G317-A370 VanDerWaalsContact C-CB 3.47Å
318K81.8Confident84.2Confident79 Ų7929 Ų2934%0.34316%0.163SC..Hα-helixtrans-61.7-33.7-172.276.1-158168-143.60112.7L320 Y321 Y322 C366 D367 A370K318-L320 PolarHBondContact O-N 3.3Å; K318-Y321 PolarHBondContact O-N 2.94Å; K318-Y322 HydrophobicContact CB-CD2 4.23Å; K318-Y322 HydrophobicContact CB-CE2 4.08Å; K318-Y322 WeakPolarHBondContact O-CD2 3.23Å; K318-Y322 PolarHBondContact O-N 2.66Å; K318-C366 HydrophobicContact CB-CB 4.46Å; K318-C366 HydrophobicContact CD-CB 3.71Å; K318-D367 WeakPolarHBondContact CD-OD1 3.36Å; K318-D367 WeakPolarHBondContact CE-OD2 3.45Å; K318-D367 WeakPolarHBondContact CG-OD1 3.48Å; K318-D367 PolarHBondContact N-OD1 3.26Å; K318-D367 IonicContact NZ-OD1 2.77Å; K318-D367 IonicContact NZ-OD2 3.85Å; K318-D367 PolarHBondContact NZ-OD2 3.25Å; K318-A370 HydrophobicContact CB-CB 4.27Å
319L80.4Confident83.2Confident75 Ų7534.8 Ų34.839%0.39320%0.201SC..Hα-helixtrans-57.2-50.1-177176.564.6000110.9G317 S323 L415G317-L319 PolarHBondContact O-N 3.05Å; L319-S323 PolarHBondContact O-N 3.46Å; L319-L415 HydrophobicContact CD2-CD1 4.05Å; L319-L415 HydrophobicContact CD2-CD2 3.7Å
320L83.1Confident82.3Confident18 Ų1836.4 Ų36.49%0.09422%0.218CC..Hα-helixtrans-78.4-35.3-179.1-170.668.2000111.9T313 Y316 G317 K318 Y322 S323 M324 P815 D816T313-L320 HydrophobicContact CG2-CD2 3.32Å; T313-L320 WeakPolarHBondContact O-CD2 3.27Å; Y316-L320 HydrophobicContact CD2-CD2 4.14Å; Y316-L320 HydrophobicContact CG-CD2 4.19Å; G317-L320 PolarHBondContact O-N 2.86Å; K318-L320 PolarHBondContact O-N 3.3Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; L320-Y322 PolarHBondContact O-N 3.28Å; L320-S323 WeakPolarHBondContact CA-OG 3.31Å; L320-S323 PolarHBondContact O-N 2.89Å; L320-S323 PolarHBondContact O-OG 2.9Å; L320-M324 HydrophobicContact CD1-CG 4.24Å; L320-M324 HydrophobicContact CD1-SD 4.28Å; L320-M324 HydrophobicContact CD2-SD 4.21Å; L320-M324 HydrophobicContact CG-CG 4.21Å; L320-M324 HydrophobicContact CG-SD 3.88Å; L320-M324 WeakPolarHBondContact O-CG 3.24Å; L320-M324 PolarHBondContact O-N 2.87Å; L320-P815 HydrophobicContact CD1-CG 4.36Å; L320-P815 HydrophobicContact CD2-CB 4.47Å; L320-P815 HydrophobicContact CD2-CG 3.88Å; L320-D816 HydrophobicContact CD1-CB 4.47Å
321Y82.1Confident81.4Confident4 Ų436.6 Ų36.62%0.01622%0.22CC..Hα-helixtrans-56.7-46.7175.7179.4-91.7000111.8G317 K318 N325 A331 L335 A370 E373G317-Y321 PolarHBondContact O-N 3.06Å; G317-Y321 VanDerWaalsContact O-N 3.15Å; K318-Y321 PolarHBondContact O-N 2.94Å; Y321-N325 WeakPolarHBondContact CD2-ND2 3.26Å; Y321-N325 VanDerWaalsContact CE2-ND2 3.3Å; Y321-N325 WeakPolarHBondContact CE2-ND2 3.39Å; Y321-N325 VanDerWaalsContact O-CB 3.32Å; Y321-N325 WeakPolarHBondContact O-CB 3.47Å; Y321-N325 PolarHBondContact O-N 3.36Å; Y321-N325 PolarHBondContact O-ND2 3.46Å; Y321-A331 PolarHBondContact OH-O 2.76Å; Y321-L335 HydrophobicContact CD1-CB 4.5Å; Y321-L335 HydrophobicContact CD1-CD1 4.26Å; Y321-L335 HydrophobicContact CD1-CD2 4.11Å; Y321-L335 HydrophobicContact CE1-CB 3.78Å; Y321-L335 HydrophobicContact CE1-CD1 4.23Å; Y321-L335 HydrophobicContact CE1-CD2 4.16Å; Y321-L335 HydrophobicContact CE1-CG 4.29Å; Y321-A370 HydrophobicContact CG-CB 4.28Å; Y321-E373 HydrophobicContact CD2-CG 4.49Å; Y321-E373 HydrophobicContact CE2-CB 4.21Å; Y321-E373 HydrophobicContact CE2-CG 3.53Å
322Y80.2Confident80.5Confident105 Ų10540.1 Ų40.141%0.41224%0.242SC..Hα-helixtrans-66.6-39.2177.6-75.9-58.8000112.7K318 L320 L326 L335K318-Y322 HydrophobicContact CB-CD2 4.23Å; K318-Y322 HydrophobicContact CB-CE2 4.08Å; K318-Y322 WeakPolarHBondContact O-CD2 3.23Å; K318-Y322 PolarHBondContact O-N 2.66Å; L320-Y322 VanDerWaalsContact C-N 3.32Å; L320-Y322 PolarHBondContact O-N 3.28Å; Y322-L326 PolarHBondContact O-N 3.31Å; Y322-L326 VanDerWaalsContact O-N 3.15Å; Y322-L335 HydrophobicContact CE1-CD2 4.03Å; Y322-L335 HydrophobicContact CE2-CD2 4.16Å; Y322-L335 VanDerWaalsContact OH-CD2 3.31Å; Y322-L335 WeakPolarHBondContact OH-CD2 3.43Å
323S77.1Confident79.7Confident45 Ų4544.2 Ų44.232%0.31527%0.269SS..Hα-helixtrans-67.3-36.8179.367.40000112.3L319 L320L319-S323 PolarHBondContact O-N 3.46Å; L320-S323 WeakPolarHBondContact CA-OG 3.31Å; L320-S323 PolarHBondContact O-N 2.89Å; L320-S323 PolarHBondContact O-OG 2.9Å
324M78.6Confident79Confident29 Ų2947.6 Ų47.614%0.14328%0.282CS..Hα-helixtrans-78.9-28.5179.6-66.9-176.675.200113.7T313 L320 F374 F769 D816 L819T313-M324 HydrophobicContact CG2-SD 4.38Å; L320-M324 HydrophobicContact CD1-CG 4.24Å; L320-M324 HydrophobicContact CD1-SD 4.28Å; L320-M324 HydrophobicContact CD2-SD 4.21Å; L320-M324 HydrophobicContact CG-CG 4.21Å; L320-M324 HydrophobicContact CG-SD 3.88Å; L320-M324 WeakPolarHBondContact O-CG 3.24Å; L320-M324 PolarHBondContact O-N 2.87Å; M324-F374 HydrophobicContact CE-CE2 4.33Å; M324-F374 HydrophobicContact CE-CZ 4.3Å; M324-F374 HydrophobicContact SD-CE2 3.75Å; M324-F374 HydrophobicContact SD-CZ 4.01Å; M324-F769 HydrophobicContact CE-CZ 4.22Å; M324-D816 HydrophobicContact CE-CB 3.7Å; M324-D816 HydrophobicContact CG-CB 3.99Å; M324-D816 HydrophobicContact SD-CB 3.69Å; M324-L819 HydrophobicContact CE-CD2 4.46Å
325N75.9Confident78.4Confident6 Ų647.6 Ų47.63%0.03228%0.281CS..Hα-helixtrans-104.18-175.7-68.8-71.2000114.9Y321 G327 K328 A331 I768Y321-N325 WeakPolarHBondContact CD2-ND2 3.26Å; Y321-N325 VanDerWaalsContact CE2-ND2 3.3Å; Y321-N325 WeakPolarHBondContact CE2-ND2 3.39Å; Y321-N325 VanDerWaalsContact O-CB 3.32Å; Y321-N325 WeakPolarHBondContact O-CB 3.47Å; Y321-N325 PolarHBondContact O-N 3.36Å; Y321-N325 PolarHBondContact O-ND2 3.46Å; N325-G327 PolarHBondContact O-N 2.85Å; N325-K328 WeakPolarHBondContact O-CB 3.34Å; N325-K328 PolarHBondContact O-N 3.05Å; N325-A331 HydrophobicContact CB-CB 3.68Å; N325-I768 WeakPolarHBondContact OD1-CD1 3.45Å
326L68.4Low77.6Confident77 Ų7752 Ų5240%0.40330%0.304SS..THydrogen-bonded Turntrans-60.2135.9179.6-162.379.5000112.4D217 S219 Y322 K328D217-L326 WeakPolarHBondContact OD1-CD2 3.5Å; S219-L326 WeakPolarHBondContact OG-CD2 3.31Å; Y322-L326 PolarHBondContact O-N 3.31Å; Y322-L326 VanDerWaalsContact O-N 3.15Å; L326-K328 PolarHBondContact O-N 3.28Å
327G65.3Low77Confident81 Ų8160.1 Ų60.184%0.83533%0.334SS*.THydrogen-bonded Turntrans74.11.4179.800000114.5N325N325-G327 PolarHBondContact O-N 2.85Å
328K72.4Confident76.3Confident50 Ų5062 Ų6222%0.21734%0.342CS..  trans-87123.1173-62.5-175.6-174.1172.90109.5N325 L326 G330 A331 I768N325-K328 WeakPolarHBondContact O-CB 3.34Å; N325-K328 PolarHBondContact O-N 3.05Å; L326-K328 PolarHBondContact O-N 3.28Å; K328-G330 PolarHBondContact O-N 3.36Å; K328-A331 HydrophobicContact CB-CB 4.45Å; K328-A331 WeakPolarHBondContact O-CB 2.92Å; K328-A331 PolarHBondContact O-N 3.16Å; K328-I768 HydrophobicContact CD-CG2 4.39Å; K328-I768 PolarHBondContact NZ-O 2.85Å
329P74.1Confident75.8Confident122 Ų12259.4 Ų59.479%0.79233%0.332SS*.THydrogen-bonded Turntrans-58.3138.9178.123.5-31.7000110.5A331 R334P329-A331 VanDerWaalsContact C-N 3.29Å; P329-A331 PolarHBondContact O-N 3.3Å; P329-R334 PolarHBondContact O-NH1 2.78Å
330G76.4Confident74.8Confident36 Ų3658.8 Ų58.837%0.37133%0.332SS..THydrogen-bonded Turntrans74.71.1177.500000116.5K328 T332 C333 R334K328-G330 PolarHBondContact O-N 3.36Å; G330-T332 PolarHBondContact O-N 2.96Å; G330-C333 CarbonylContact O-C 3.6Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 3.16Å; G330-C333 VanDerWaalsContact O-N 3.12Å; G330-R334 WeakPolarHBondContact O-CG 3.37Å; G330-R334 PolarHBondContact O-N 3.49Å
331A76Confident73.2Confident8 Ų862.2 Ų62.27%0.06636%0.357CS..Hα-helixtrans-59.4-43.6179.600000113.6Y321 N325 K328 P329 C333 R334 L335Y321-A331 PolarHBondContact OH-O 2.76Å; N325-A331 HydrophobicContact CB-CB 3.68Å; K328-A331 HydrophobicContact CB-CB 4.45Å; K328-A331 WeakPolarHBondContact O-CB 2.92Å; K328-A331 PolarHBondContact O-N 3.16Å; P329-A331 VanDerWaalsContact C-N 3.29Å; P329-A331 PolarHBondContact O-N 3.3Å; A331-C333 VanDerWaalsContact C-N 3.35Å; A331-R334 PolarHBondContact O-N 3.14Å; A331-L335 PolarHBondContact O-N 3.18Å; A331-L335 VanDerWaalsContact O-N 3.11Å
332T75Confident71.5Confident74 Ų7465.6 Ų65.645%0.45438%0.38SS..Hα-helixtrans-65.3-41173.9-45.60000110.6G330 R334 L335 L336G330-T332 PolarHBondContact O-N 2.96Å; T332-R334 VanDerWaalsContact C-N 3.33Å; T332-R334 PolarHBondContact O-N 2.88Å; T332-L335 PolarHBondContact O-N 2.96Å; T332-L336 HydrophobicContact CG2-CD1 4.12Å; T332-L336 HydrophobicContact CG2-CG 4.36Å; T332-L336 WeakPolarHBondContact O-CB 3.47Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.29Å; T332-L336 PolarHBondContact O-N 3.43Å
333C78.1Confident69.7Low87 Ų8768.1 Ų68.159%0.58840%0.4SS*.Hα-helixtrans-62.8-38.8176.8-54.10000112.3G330 A331 L336 R337G330-C333 CarbonylContact O-C 3.6Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 3.16Å; G330-C333 VanDerWaalsContact O-N 3.12Å; A331-C333 VanDerWaalsContact C-N 3.35Å; C333-L336 PolarHBondContact O-N 2.92Å; C333-R337 PolarHBondContact O-N 3.42Å; C333-R337 VanDerWaalsContact O-N 3.07Å
334R78.9Confident67.8Low77 Ų7773 Ų7329%0.29142%0.422SS..Hα-helixtrans-62.4-43.8173.9-71.3-167.9-56.7-883.8111.6P329 G330 A331 T332 R337 H338 E373P329-R334 PolarHBondContact O-NH1 2.78Å; G330-R334 WeakPolarHBondContact O-CG 3.37Å; G330-R334 PolarHBondContact O-N 3.49Å; A331-R334 PolarHBondContact O-N 3.14Å; T332-R334 VanDerWaalsContact C-N 3.33Å; T332-R334 PolarHBondContact O-N 2.88Å; R334-R337 WeakPolarHBondContact O-CB 2.9Å; R334-R337 PolarHBondContact O-N 3.28Å; R334-H338 PolarHBondContact O-CD2 2.93Å; R334-E373 VanDerWaalsContact CD-OE1 3.26Å; R334-E373 WeakPolarHBondContact CD-OE1 3.47Å; R334-E373 IonicContact NE-OE1 2.71Å; R334-E373 PolarHBondContact NE-OE1 2.84Å
335L77.6Confident65.8Low3 Ų375 Ų752%0.01644%0.44CS..Hα-helixtrans-63.5-46175-174.367.5000111.3Y321 Y322 A331 T332 R337 H338 L339 A369 A370Y321-L335 HydrophobicContact CD1-CB 4.5Å; Y321-L335 HydrophobicContact CD1-CD1 4.26Å; Y321-L335 HydrophobicContact CD1-CD2 4.11Å; Y321-L335 HydrophobicContact CE1-CB 3.78Å; Y321-L335 HydrophobicContact CE1-CD1 4.23Å; Y321-L335 HydrophobicContact CE1-CD2 4.16Å; Y321-L335 HydrophobicContact CE1-CG 4.29Å; Y322-L335 HydrophobicContact CE1-CD2 4.03Å; Y322-L335 HydrophobicContact CE2-CD2 4.16Å; Y322-L335 VanDerWaalsContact OH-CD2 3.31Å; Y322-L335 WeakPolarHBondContact OH-CD2 3.43Å; A331-L335 PolarHBondContact O-N 3.18Å; A331-L335 VanDerWaalsContact O-N 3.11Å; T332-L335 PolarHBondContact O-N 2.96Å; L335-R337 PolarHBondContact O-N 2.89Å; L335-H338 PolarHBondContact O-N 3.3Å; L335-L339 HydrophobicContact CG-CD1 4.01Å; L335-L339 VanDerWaalsContact O-CD1 3.24Å; L335-L339 WeakPolarHBondContact O-CD1 3.49Å; L335-L339 PolarHBondContact O-N 3.44Å; L335-A369 HydrophobicContact CD1-CB 3.97Å; L335-A370 HydrophobicContact CD1-CB 3.96Å
336L73.3Confident63.8Low92 Ų9283.9 Ų83.948%0.48248%0.478SS..Hα-helixtrans-59.3-27.7178.9-71.9170.1000113.1T332 C333 H338 L339T332-L336 HydrophobicContact CG2-CD1 4.12Å; T332-L336 HydrophobicContact CG2-CG 4.36Å; T332-L336 WeakPolarHBondContact O-CB 3.47Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.29Å; T332-L336 PolarHBondContact O-N 3.43Å; C333-L336 PolarHBondContact O-N 2.92Å; L336-H338 PolarHBondContact O-N 3.28Å; L336-L339 PolarHBondContact O-N 2.72Å; L336-L339 VanDerWaalsContact O-N 3.15Å
337R75.7Confident62Low191 Ų19186.5 Ų86.572%0.72149%0.493SS*.THydrogen-bonded Turntrans-61.6-29173.1-176.9-178.9173.2176.11.5113C333 R334 L335C333-R337 PolarHBondContact O-N 3.42Å; C333-R337 VanDerWaalsContact O-N 3.07Å; R334-R337 WeakPolarHBondContact O-CB 2.9Å; R334-R337 PolarHBondContact O-N 3.28Å; L335-R337 PolarHBondContact O-N 2.89Å
338H72.6Confident60.4Low42 Ų4288.8 Ų88.819%0.19449%0.493CS..THydrogen-bonded Turntrans-92.2-8.1178-69.9-79.9000113R334 L335 L336 A369 E373R334-H338 PolarHBondContact O-CD2 2.93Å; L335-H338 PolarHBondContact O-N 3.3Å; L336-H338 PolarHBondContact O-N 3.28Å; H338-A369 HydrophobicContact CB-CB 3.79Å; H338-E373 IonicContact CD2-OE2 3.26Å; H338-E373 IonicContact NE2-OE2 2.99Å; H338-E373 PolarHBondContact NE2-OE2 3.49Å
339L69.9Low58.5Low25 Ų2591.8 Ų91.813%0.13152%0.515CS..SBendtrans-83.9129.6171-82.989.5000108.7L335 L336 C341 I360 A369L335-L339 HydrophobicContact CG-CD1 4.01Å; L335-L339 VanDerWaalsContact O-CD1 3.24Å; L335-L339 WeakPolarHBondContact O-CD1 3.49Å; L335-L339 PolarHBondContact O-N 3.44Å; L336-L339 PolarHBondContact O-N 2.72Å; L336-L339 VanDerWaalsContact O-N 3.15Å; L339-C341 PolarHBondContact O-N 3.3Å; L339-I360 HydrophobicContact CD2-CG1 4.3Å; L339-A369 HydrophobicContact CD1-CB 3.74Å; L339-A369 HydrophobicContact CG-CB 4.25Å
340P60.1Low56.3Low62 Ų6291.1 Ų91.140%0.40351%0.513SS..  trans-62.6109.5167.824.4-30.4000108.2C342 T365P340-C342 PolarHBondContact O-N 2.81Å; P340-T365 HydrophobicContact CG-CG2 4.41Å
341C49.4Very low54.2Low90 Ų9095 Ų9561%0.60854%0.535SS*.  trans-58.4127.5174.5-75.30000109.5L339 L343 N344L339-C341 PolarHBondContact O-N 3.3Å; C341-L343 PolarHBondContact O-N 3.26Å; C341-N344 PolarHBondContact O-N 2.72Å
342C46.1Very low52.1Low76 Ų7697.8 Ų97.851%0.51456%0.564SS.*G310 helixtrans-56.1-14.6176.9-55.70000113.9P340 N344P340-C342 PolarHBondContact O-N 2.81Å; C342-N344 VanDerWaalsContact C-N 3.29Å; C342-N344 PolarHBondContact O-N 3.43Å
343L42.9Very low50.2Low158 Ų158102.7 Ų102.783%0.82759%0.587SS**G310 helixtrans-70.9-17.1178.9-84.8138.8000114.4C341C341-L343 PolarHBondContact O-N 3.26Å
344N37.2Very low48.2Very low146 Ų146102.8 Ų102.878%0.78159%0.585SS**G310 helixtrans-107.915.5179.1-93.19.6000114.7C341 C342 F346C341-N344 PolarHBondContact O-N 2.72Å; C342-N344 VanDerWaalsContact C-N 3.29Å; C342-N344 PolarHBondContact O-N 3.43Å; N344-F346 PolarHBondContact O-N 3.48Å
345S36.8Very low46.1Very low73 Ų73109.4 Ų109.451%0.5162%0.616SS.*THydrogen-bonded Turntrans-74.422175.9-164.70000114.4
346F33.4Very low44.2Very low192 Ų192113.4 Ų113.484%0.84264%0.637SS**THydrogen-bonded Turntrans-88.42172-95.5-77.1000114.5N344N344-F346 PolarHBondContact O-N 3.48Å
347N30.9Very low42.2Very low132 Ų132112.9 Ų112.971%0.70664%0.641SS**  trans-14793.3174.8-87.4-33.2000112.5V349N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 PolarHBondContact O-N 2.93Å
348P32.6Very low40Very low128 Ų128105.8 Ų105.883%0.83162%0.62SS**  trans-74.278.416331.1-30.6000108.8S350P348-S350 PolarHBondContact O-N 3.37Å; P348-S350 VanDerWaalsContact O-N 3.16Å
349V31.1Very low38.4Very low114 Ų114105.6 Ų105.669%0.69162%0.623SS**  trans-78.3102169.5176.80000108N347 S351N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 PolarHBondContact O-N 2.93Å; V349-S351 PolarHBondContact O-N 3.05Å
350S29.3Very low37.1Very low107 Ų107110.1 Ų110.175%0.74865%0.646SS**  trans-6.5111.7151.256.90000116.1P348P348-S350 PolarHBondContact O-N 3.37Å; P348-S350 VanDerWaalsContact O-N 3.16Å
351S31.7Very low36Very low119 Ų119112.8 Ų112.883%0.83267%0.665SS**  trans-158.4113.2141.1-161.60000110.4V349V349-S351 PolarHBondContact O-N 3.05Å
352G32.2Very low35.9Very low65 Ų65110.2 Ų110.267%0.6765%0.648SS**SBendtrans33.8107.2154.400000121T354G352-T354 PolarHBondContact O-N 3.37Å
353N35Very low36.6Very low178 Ų178114.9 Ų114.995%0.95266%0.66SS**SBendtrans61.114.5138.6-79.6-0.6000122.5
354T35.8Very low37.8Very low88 Ų88111 Ų11154%0.5464%0.635SS.*  trans-113.3100.8153.1470000108.9G352 L356G352-T354 PolarHBondContact O-N 3.37Å; T354-L356 PolarHBondContact O-N 2.83Å
355K35.5Very low39.5Very low217 Ų217104.6 Ų104.694%0.94360%0.601SS**  trans-60.283.1169-91.7-180173.4174.30109
356L35.8Very low41.5Very low86 Ų86102.5 Ų102.545%0.4559%0.586SS.*  trans-127.379.9168-139.686000108.2T354 L368T354-L356 PolarHBondContact O-N 2.83Å; L356-L368 HydrophobicContact CD1-CD2 4.16Å; L356-L368 HydrophobicContact CD2-CD2 3.28Å; L356-L368 HydrophobicContact CG-CD2 4.37Å
357S33.2Very low43.9Very low82 Ų8294 Ų9457%0.57355%0.549SS*.  trans-68.8144.4171.639.80000110.8S362S357-S362 PolarHBondContact O-OG 2.96Å; S357-S362 PolarHBondContact OG-OG 3.44Å
358C29.6Very low46.4Very low41 Ų4188.2 Ų88.228%0.27752%0.518SS..SBendtrans-48.9159.8179.1166.60000114.9
359C38.3Very low48.9Very low38 Ų3882.2 Ų82.226%0.25748%0.479SS..SBendtrans87.4149.8152.8-35.20000111.9C361 S362C359-C361 PolarHBondContact O-N 2.84Å; C359-S362 PolarHBondContact O-N 3.44Å; C359-S362 VanDerWaalsContact O-N 3.11Å
360I41.5Very low51.5Low121 Ų12176.9 Ų76.962%0.62145%0.447SS*.THydrogen-bonded Turntrans-51.6-3.1-170.6-67.3159.9000114.6L339L339-I360 HydrophobicContact CD2-CG1 4.3Å
361C38.3Very low54.3Low117 Ų11771.8 Ų71.879%0.79141%0.411SS*.THydrogen-bonded Turntrans-102.2-10.4-175.1-48.20000115.1C359 K363C359-C361 PolarHBondContact O-N 2.84Å; C361-K363 PolarHBondContact O-N 3.26Å
362S45.8Very low57Low36 Ų3666.2 Ų66.225%0.25237%0.372SS..SBendtrans-68.6115.6158.6-98.50000106.5S357 C359 Y364 T365S357-S362 PolarHBondContact O-OG 2.96Å; S357-S362 PolarHBondContact OG-OG 3.44Å; C359-S362 PolarHBondContact O-N 3.44Å; C359-S362 VanDerWaalsContact O-N 3.11Å; S362-Y364 PolarHBondContact O-N 2.89Å; S362-T365 VanDerWaalsContact CB-OG1 3.27Å; S362-T365 WeakPolarHBondContact CB-OG1 3.44Å; S362-T365 PolarHBondContact O-N 3.08Å; S362-T365 VanDerWaalsContact O-N 3.08Å; S362-T365 PolarHBondContact O-OG1 3.09Å
363K61.5Low59.5Low175 Ų17563.5 Ų63.576%0.76134%0.342SS*.THydrogen-bonded Turntrans-44.1-27.2-159.9-76.8-177.8177.7176.50116.1C361C361-K363 PolarHBondContact O-N 3.26Å
364Y69Low61.8Low77 Ų7755.5 Ų55.530%0.30230%0.299SS..THydrogen-bonded Turntrans-125.614.6-171.6-47.6-59.1000115.6S362 C366 D367 L368 Y387 D388S362-Y364 PolarHBondContact O-N 2.89Å; Y364-C366 PolarHBondContact O-N 3.24Å; Y364-D367 PolarHBondContact O-N 3.3Å; Y364-L368 PolarHBondContact O-N 2.85Å; Y364-L368 VanDerWaalsContact O-N 3.1Å; Y364-Y387 HydrophobicContact CD1-CD2 4.17Å; Y364-Y387 AromaticContact CD1-CG 3.96Å; Y364-Y387 HydrophobicContact CD1-CG 3.96Å; Y364-Y387 HydrophobicContact CD2-CD2 4.5Å; Y364-Y387 HydrophobicContact CE1-CG 4.35Å; Y364-Y387 AromaticContact CG-CD2 3.92Å; Y364-Y387 HydrophobicContact CG-CD2 3.92Å; Y364-Y387 HydrophobicContact CG-CG 4.13Å; Y364-D388 PolarHBondContact OH-OD1 3.09Å; Y364-D388 VanDerWaalsContact OH-OD1 3.14Å
365T72.8Confident64.1Low10 Ų1051.3 Ų51.36%0.06127%0.273CS..Hα-helixtrans-57-42.6-175.6-47.80000113.5P340 S362 D367 L368 A369P340-T365 HydrophobicContact CG-CG2 4.41Å; S362-T365 VanDerWaalsContact CB-OG1 3.27Å; S362-T365 WeakPolarHBondContact CB-OG1 3.44Å; S362-T365 PolarHBondContact O-N 3.08Å; S362-T365 VanDerWaalsContact O-N 3.08Å; S362-T365 PolarHBondContact O-OG1 3.09Å; T365-D367 VanDerWaalsContact C-N 3.27Å; T365-D367 PolarHBondContact O-N 3.14Å; T365-L368 PolarHBondContact O-N 2.93Å; T365-A369 WeakPolarHBondContact O-CB 3.19Å; T365-A369 PolarHBondContact O-N 3.38Å
366C79.2Confident66.5Low29 Ų2942.5 Ų42.520%0.19624%0.239CC..Hα-helixtrans-66.3-30.1178.6-61.80000112.9K318 Y364 A370K318-C366 HydrophobicContact CB-CB 4.46Å; K318-C366 HydrophobicContact CD-CB 3.71Å; Y364-C366 PolarHBondContact O-N 3.24Å; C366-A370 WeakPolarHBondContact O-CB 3.39Å; C366-A370 PolarHBondContact O-N 3.32Å; C366-A370 VanDerWaalsContact O-N 3.09Å
367D82.4Confident69Low13 Ų1338.7 Ų38.77%0.0722%0.219CC..Hα-helixtrans-75.6-40.9179.6-67-65.4000110.7K318 Y364 T365 A370 I371 Y387K318-D367 WeakPolarHBondContact CD-OD1 3.36Å; K318-D367 WeakPolarHBondContact CE-OD2 3.45Å; K318-D367 WeakPolarHBondContact CG-OD1 3.48Å; K318-D367 PolarHBondContact N-OD1 3.26Å; K318-D367 IonicContact NZ-OD1 2.77Å; K318-D367 IonicContact NZ-OD2 3.85Å; K318-D367 PolarHBondContact NZ-OD2 3.25Å; Y364-D367 PolarHBondContact O-N 3.3Å; T365-D367 VanDerWaalsContact C-N 3.27Å; T365-D367 PolarHBondContact O-N 3.14Å; D367-A370 WeakPolarHBondContact O-CB 3.37Å; D367-A370 PolarHBondContact O-N 3.03Å; D367-I371 WeakPolarHBondContact O-CG1 3.41Å; D367-I371 PolarHBondContact O-N 3.46Å; D367-Y387 HydrophobicContact CB-CD2 4.2Å; D367-Y387 HydrophobicContact CB-CE1 4.36Å; D367-Y387 HydrophobicContact CB-CE2 3.48Å; D367-Y387 VanDerWaalsContact CB-CE2 3.48Å
368L84.8Confident71.5Confident12 Ų1240.8 Ų40.86%0.06321%0.214CC..Hα-helixtrans-60.6-48.2169.6179.967.5000111.6L356 Y364 T365 A370 I371 L372 F382 L385L356-L368 HydrophobicContact CD1-CD2 4.16Å; L356-L368 HydrophobicContact CD2-CD2 3.28Å; L356-L368 HydrophobicContact CG-CD2 4.37Å; Y364-L368 PolarHBondContact O-N 2.85Å; Y364-L368 VanDerWaalsContact O-N 3.1Å; T365-L368 PolarHBondContact O-N 2.93Å; L368-A370 PolarHBondContact O-N 3.49Å; L368-I371 WeakPolarHBondContact O-CA 3.39Å; L368-I371 WeakPolarHBondContact O-CB 3.18Å; L368-I371 PolarHBondContact O-N 2.8Å; L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CD1-CD2 4.5Å; L368-L372 HydrophobicContact CD1-CG 4.24Å; L368-L372 HydrophobicContact CD2-CD1 4.44Å; L368-L372 HydrophobicContact CG-CD1 3.98Å; L368-L372 HydrophobicContact CG-CG 4.2Å; L368-L372 WeakPolarHBondContact O-CG 3.19Å; L368-L372 PolarHBondContact O-N 3.37Å; L368-F382 HydrophobicContact CD1-CD1 4.38Å; L368-F382 HydrophobicContact CD1-CD2 4.25Å; L368-F382 HydrophobicContact CD1-CE2 4.41Å; L368-F382 HydrophobicContact CD1-CG 4.26Å; L368-L385 HydrophobicContact CB-CD2 3.86Å; L368-L385 HydrophobicContact CD1-CD2 3.91Å; L368-L385 HydrophobicContact CG-CD2 4.37Å
369A83.7Confident74Confident1 Ų143.5 Ų43.51%0.00822%0.222CC..Hα-helixtrans-56-38.2177.800000112.1L335 H338 L339 T365 E373L335-A369 HydrophobicContact CD1-CB 3.97Å; H338-A369 HydrophobicContact CB-CB 3.79Å; L339-A369 HydrophobicContact CD1-CB 3.74Å; L339-A369 HydrophobicContact CG-CB 4.25Å; T365-A369 WeakPolarHBondContact O-CB 3.19Å; T365-A369 PolarHBondContact O-N 3.38Å; A369-E373 PolarHBondContact O-N 3.43Å; A369-E373 VanDerWaalsContact O-N 3.13Å
370A85.5Confident76.3Confident2 Ų245.7 Ų45.72%0.01723%0.232CC..Hα-helixtrans-66.9-42.9174.700000112.1G317 K318 Y321 L335 C366 D367 L368 E373 F374G317-A370 VanDerWaalsContact C-CB 3.47Å; K318-A370 HydrophobicContact CB-CB 4.27Å; Y321-A370 HydrophobicContact CG-CB 4.28Å; L335-A370 HydrophobicContact CD1-CB 3.96Å; C366-A370 WeakPolarHBondContact O-CB 3.39Å; C366-A370 PolarHBondContact O-N 3.32Å; C366-A370 VanDerWaalsContact O-N 3.09Å; D367-A370 WeakPolarHBondContact O-CB 3.37Å; D367-A370 PolarHBondContact O-N 3.03Å; L368-A370 PolarHBondContact O-N 3.49Å; A370-E373 PolarHBondContact O-N 3.15Å; A370-F374 VanDerWaalsContact O-CB 3.23Å; A370-F374 WeakPolarHBondContact O-CB 3.38Å; A370-F374 PolarHBondContact O-N 2.96Å
371I88.2Confident78.6Confident0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-60.7-46.2175.2-67.3161.5000110.8A314 D367 L368 E373 F374 T375 F382 L385 Y387 F397A314-I371 HydrophobicContact CB-CG1 4.38Å; A314-I371 HydrophobicContact CB-CG2 4.14Å; A314-I371 VanDerWaalsContact O-CG1 3.23Å; A314-I371 WeakPolarHBondContact O-CG1 2.97Å; D367-I371 WeakPolarHBondContact O-CG1 3.41Å; D367-I371 PolarHBondContact O-N 3.46Å; L368-I371 WeakPolarHBondContact O-CA 3.39Å; L368-I371 WeakPolarHBondContact O-CB 3.18Å; L368-I371 PolarHBondContact O-N 2.8Å; I371-E373 PolarHBondContact O-N 3.01Å; I371-F374 PolarHBondContact O-N 2.89Å; I371-T375 HydrophobicContact CG2-CG2 4.04Å; I371-T375 WeakPolarHBondContact O-CB 3.41Å; I371-T375 WeakPolarHBondContact O-CG2 3.3Å; I371-T375 PolarHBondContact O-N 3.42Å; I371-T375 PolarHBondContact O-OG1 3.26Å; I371-F382 HydrophobicContact CG2-CE1 3.85Å; I371-F382 HydrophobicContact CG2-CE2 4.38Å; I371-F382 HydrophobicContact CG2-CZ 3.38Å; I371-L385 HydrophobicContact CD1-CD1 3.94Å; I371-Y387 HydrophobicContact CD1-CE2 4.21Å; I371-Y387 VanDerWaalsContact CD1-OH 3.27Å; I371-Y387 WeakPolarHBondContact CD1-OH 3.44Å; I371-F397 HydrophobicContact CD1-CD1 4.26Å; I371-F397 HydrophobicContact CG2-CE1 4.35Å
372L88.8Confident81Confident2 Ų235.3 Ų35.31%0.0117%0.169CC..Hα-helixtrans-59.9-46.1-179-66.6168.8000111.3L368 F374 C376 L377 E379 F382L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CD1-CD2 4.5Å; L368-L372 HydrophobicContact CD1-CG 4.24Å; L368-L372 HydrophobicContact CD2-CD1 4.44Å; L368-L372 HydrophobicContact CG-CD1 3.98Å; L368-L372 HydrophobicContact CG-CG 4.2Å; L368-L372 WeakPolarHBondContact O-CG 3.19Å; L368-L372 PolarHBondContact O-N 3.37Å; L372-F374 VanDerWaalsContact C-N 3.35Å; L372-C376 VanDerWaalsContact O-CA 3.32Å; L372-C376 WeakPolarHBondContact O-CA 3.37Å; L372-C376 PolarHBondContact O-N 3.46Å; L372-L377 WeakPolarHBondContact CD2-O 3.47Å; L372-E379 HydrophobicContact CD1-CG 3.47Å; L372-E379 VanDerWaalsContact CD1-CG 3.47Å; L372-E379 HydrophobicContact CD2-CG 3.97Å; L372-E379 HydrophobicContact CG-CG 4.38Å; L372-F382 HydrophobicContact CD2-CD2 4Å; L372-F382 HydrophobicContact CD2-CE2 3.58Å
373E84.7Confident83.2Confident8 Ų835.3 Ų35.34%0.03717%0.166CC..Hα-helixtrans-68.2-34.4176.3176.761.5-176.300112.1Y321 R334 H338 A369 A370 I371 R764Y321-E373 HydrophobicContact CD2-CG 4.49Å; Y321-E373 HydrophobicContact CE2-CB 4.21Å; Y321-E373 HydrophobicContact CE2-CG 3.53Å; R334-E373 VanDerWaalsContact CD-OE1 3.26Å; R334-E373 WeakPolarHBondContact CD-OE1 3.47Å; R334-E373 IonicContact NE-OE1 2.71Å; R334-E373 PolarHBondContact NE-OE1 2.84Å; H338-E373 IonicContact CD2-OE2 3.26Å; H338-E373 IonicContact NE2-OE2 2.99Å; H338-E373 PolarHBondContact NE2-OE2 3.49Å; A369-E373 PolarHBondContact O-N 3.43Å; A369-E373 VanDerWaalsContact O-N 3.13Å; A370-E373 PolarHBondContact O-N 3.15Å; I371-E373 PolarHBondContact O-N 3.01Å; E373-R764 IonicContact OE2-NH1 2.7Å; E373-R764 PolarHBondContact OE2-NH1 2.84Å; E373-R764 VanDerWaalsContact OE2-NH1 3.09Å
374F82.6Confident84.6Confident11 Ų1130.1 Ų30.15%0.04814%0.143CC..Hα-helixtrans-72.7-39.9-179.2-157.5-88.4000112.8E310 T313 A314 M324 A370 I371 L372 L765 L819E310-F374 HydrophobicContact CB-CE1 4.48Å; E310-F374 WeakPolarHBondContact O-CD1 3.17Å; E310-F374 WeakPolarHBondContact O-CE1 3.49Å; T313-F374 HydrophobicContact CG2-CE1 3.71Å; T313-F374 HydrophobicContact CG2-CE2 4.31Å; T313-F374 HydrophobicContact CG2-CZ 3.39Å; A314-F374 HydrophobicContact CB-CB 4.08Å; A314-F374 HydrophobicContact CB-CD1 3.71Å; A314-F374 HydrophobicContact CB-CG 4.15Å; M324-F374 HydrophobicContact CE-CE2 4.33Å; M324-F374 HydrophobicContact CE-CZ 4.3Å; M324-F374 HydrophobicContact SD-CE2 3.75Å; M324-F374 HydrophobicContact SD-CZ 4.01Å; A370-F374 VanDerWaalsContact O-CB 3.23Å; A370-F374 WeakPolarHBondContact O-CB 3.38Å; A370-F374 PolarHBondContact O-N 2.96Å; I371-F374 PolarHBondContact O-N 2.89Å; L372-F374 VanDerWaalsContact C-N 3.35Å; F374-L765 HydrophobicContact CD1-CD1 3.94Å; F374-L765 HydrophobicContact CD2-CD1 4.48Å; F374-L765 HydrophobicContact CE1-CD1 3.69Å; F374-L765 HydrophobicContact CE2-CD1 4.26Å; F374-L765 HydrophobicContact CE2-CD2 4.28Å; F374-L765 HydrophobicContact CG-CD1 4.34Å; F374-L765 HydrophobicContact CZ-CD1 3.86Å; F374-L765 HydrophobicContact CZ-CD2 4.25Å; F374-L765 WeakPolarHBondContact O-CD1 3.39Å; F374-L819 HydrophobicContact CE1-CD2 3.92Å; F374-L819 HydrophobicContact CZ-CD2 3.67Å
375T86Confident85.5Confident0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-99.8-12.3-171.661.30000113.5R307 L311 A314 I371 L377R307-T375 PolarHBondContact NH1-O 2.82Å; R307-T375 PolarHBondContact NH2-O 2.99Å; L311-T375 HydrophobicContact CD2-CG2 3.79Å; A314-T375 HydrophobicContact CB-CG2 3.29Å; I371-T375 HydrophobicContact CG2-CG2 4.04Å; I371-T375 WeakPolarHBondContact O-CB 3.41Å; I371-T375 WeakPolarHBondContact O-CG2 3.3Å; I371-T375 PolarHBondContact O-N 3.42Å; I371-T375 PolarHBondContact O-OG1 3.26Å; T375-L377 PolarHBondContact O-N 2.86Å; T375-L377 VanDerWaalsContact O-N 3.15Å; T375-L377 WeakPolarHBondContact OG1-CB 3.43Å; T375-L377 WeakPolarHBondContact OG1-CG 3.32Å; T375-L377 PolarHBondContact OG1-N 2.94Å
376C84.7Confident86.2Confident32 Ų3228.5 Ų28.522%0.21614%0.139CC..  trans55.818.6-168.3-590000113.8L372L372-C376 VanDerWaalsContact O-CA 3.32Å; L372-C376 WeakPolarHBondContact O-CA 3.37Å; L372-C376 PolarHBondContact O-N 3.46Å
377L87.7Confident86.3Confident6 Ų627.9 Ų27.93%0.03113%0.133CC..  trans-73.9153.7171.6-68.9173.4000109.9L311 L372 T375 F382 A399 D401L311-L377 HydrophobicContact CD2-CD1 3.74Å; L372-L377 WeakPolarHBondContact CD2-O 3.47Å; T375-L377 PolarHBondContact O-N 2.86Å; T375-L377 VanDerWaalsContact O-N 3.15Å; T375-L377 WeakPolarHBondContact OG1-CB 3.43Å; T375-L377 WeakPolarHBondContact OG1-CG 3.32Å; T375-L377 PolarHBondContact OG1-N 2.94Å; L377-F382 HydrophobicContact CB-CE2 3.68Å; L377-F382 HydrophobicContact CB-CZ 4.18Å; L377-F382 HydrophobicContact CD1-CE2 4.01Å; L377-F382 HydrophobicContact CD1-CZ 3.75Å; L377-A399 HydrophobicContact CD1-CB 4.08Å; L377-D401 HydrophobicContact CD2-CB 4.42Å; L377-D401 WeakPolarHBondContact CD2-OD1 3.43Å
378R86Confident86.2Confident125 Ų12530.8 Ų30.847%0.47215%0.149SC..  trans-93.5157.3172.7-56.6-175.4-54.8-82.4-5110.4D380 Q381 F382 D402R378-D380 VanDerWaalsContact C-N 3.26Å; R378-D380 WeakPolarHBondContact CB-OD1 3.36Å; R378-D380 IonicContact CZ-OD1 3.09Å; R378-D380 IonicContact CZ-OD2 3.94Å; R378-D380 IonicContact NE-OD1 3.36Å; R378-D380 PolarHBondContact NE-OD1 3.02Å; R378-D380 IonicContact NE-OD2 3.26Å; R378-D380 PolarHBondContact NE-OD2 3.26Å; R378-D380 IonicContact NH2-OD1 3.23Å; R378-D380 IonicContact NH2-OD2 2.96Å; R378-D380 PolarHBondContact NH2-OD2 3.46Å; R378-D380 PolarHBondContact O-N 2.8Å; R378-Q381 HydrophobicContact CB-CG 4.45Å; R378-Q381 WeakPolarHBondContact O-CB 3.36Å; R378-Q381 PolarHBondContact O-N 2.94Å; R378-Q381 VanDerWaalsContact O-N 3.14Å; R378-F382 WeakPolarHBondContact O-CD2 3.12Å; R378-D402 IonicContact NH2-OD2 3.3Å
379E83Confident85.6Confident98 Ų9834.5 Ų34.546%0.45817%0.169SC..G310 helixtrans-59.3-35.7179.6-70.8176.1-167.800112.6L372 Q381 F382L372-E379 HydrophobicContact CD1-CG 3.47Å; L372-E379 VanDerWaalsContact CD1-CG 3.47Å; L372-E379 HydrophobicContact CD2-CG 3.97Å; L372-E379 HydrophobicContact CG-CG 4.38Å; E379-Q381 PolarHBondContact O-N 2.95Å; E379-F382 PolarHBondContact O-N 2.9Å; E379-F382 VanDerWaalsContact O-N 3.16Å
380D85.8Confident84.9Confident84 Ų8437.3 Ų37.345%0.44919%0.188SC..G310 helixtrans-64.9-19.9178.961.3-69.2000114.3R378 K477R378-D380 VanDerWaalsContact C-N 3.26Å; R378-D380 WeakPolarHBondContact CB-OD1 3.36Å; R378-D380 IonicContact CZ-OD1 3.09Å; R378-D380 IonicContact CZ-OD2 3.94Å; R378-D380 IonicContact NE-OD1 3.36Å; R378-D380 PolarHBondContact NE-OD1 3.02Å; R378-D380 IonicContact NE-OD2 3.26Å; R378-D380 PolarHBondContact NE-OD2 3.26Å; R378-D380 IonicContact NH2-OD1 3.23Å; R378-D380 IonicContact NH2-OD2 2.96Å; R378-D380 PolarHBondContact NH2-OD2 3.46Å; R378-D380 PolarHBondContact O-N 2.8Å; D380-K477 PolarHBondContact O-NZ 3.37Å
381Q90.3Very high83.9Confident7 Ų742.3 Ų42.33%0.03322%0.218CC..G310 helixtrans-83.9-18179.3-67.5177.7-58.400112.6R378 E379 A399 V400 D402R378-Q381 HydrophobicContact CB-CG 4.45Å; R378-Q381 WeakPolarHBondContact O-CB 3.36Å; R378-Q381 PolarHBondContact O-N 2.94Å; R378-Q381 VanDerWaalsContact O-N 3.14Å; E379-Q381 PolarHBondContact O-N 2.95Å; Q381-A399 CarbonylContact O-C 3.5Å; Q381-A399 VanDerWaalsContact O-CA 3.32Å; Q381-A399 WeakPolarHBondContact O-CA 3.38Å; Q381-V400 WeakPolarHBondContact CB-O 3.18Å; Q381-V400 PolarHBondContact NE2-O 3.04Å; Q381-V400 PolarHBondContact O-N 3.31Å; Q381-D402 PolarHBondContact NE2-OD2 2.68Å
382F89.3Confident83.1Confident14 Ų1449.7 Ų49.76%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-79127.9173.9-75.6-90.8000110.2L368 I371 L372 L377 R378 E379 F397 A399L368-F382 HydrophobicContact CD1-CD1 4.38Å; L368-F382 HydrophobicContact CD1-CD2 4.25Å; L368-F382 HydrophobicContact CD1-CE2 4.41Å; L368-F382 HydrophobicContact CD1-CG 4.26Å; I371-F382 HydrophobicContact CG2-CE1 3.85Å; I371-F382 HydrophobicContact CG2-CE2 4.38Å; I371-F382 HydrophobicContact CG2-CZ 3.38Å; L372-F382 HydrophobicContact CD2-CD2 4Å; L372-F382 HydrophobicContact CD2-CE2 3.58Å; L377-F382 HydrophobicContact CB-CE2 3.68Å; L377-F382 HydrophobicContact CB-CZ 4.18Å; L377-F382 HydrophobicContact CD1-CE2 4.01Å; L377-F382 HydrophobicContact CD1-CZ 3.75Å; R378-F382 WeakPolarHBondContact O-CD2 3.12Å; E379-F382 PolarHBondContact O-N 2.9Å; E379-F382 VanDerWaalsContact O-N 3.16Å; F382-F397 HydrophobicContact CD1-CB 4.33Å; F382-F397 HydrophobicContact CD1-CD2 4.23Å; F382-F397 HydrophobicContact CD1-CG 4.43Å; F382-F397 HydrophobicContact CE1-CB 4.24Å; F382-F397 HydrophobicContact CE1-CD1 4.43Å; F382-F397 AromaticContact CE1-CD2 3.68Å; F382-F397 HydrophobicContact CE1-CD2 3.68Å; F382-F397 HydrophobicContact CE1-CE2 4.07Å; F382-F397 AromaticContact CE1-CG 3.89Å; F382-F397 HydrophobicContact CE1-CG 3.89Å; F382-A399 HydrophobicContact CD1-CB 4Å; F382-A399 HydrophobicContact CE1-CB 4Å; F382-A399 HydrophobicContact CG-CB 4.41Å; F382-A399 HydrophobicContact CZ-CB 4.39Å
383I91Very high82.7Confident36 Ų3651.2 Ų51.219%0.18525%0.254CS..EExtended strand (participates in β ladder)trans-96.3-44.9176.3-51.5-58.3000109.9V398 V400 T473 A474 K477I383-V398 HydrophobicContact CB-CB 4.35Å; I383-V398 HydrophobicContact CB-CG1 4.26Å; I383-V398 PolarHBondContact N-O 3.13Å; I383-V400 HydrophobicContact CD1-CG2 4.18Å; I383-V400 HydrophobicContact CG1-CG2 4.24Å; I383-T473 HydrophobicContact CG2-CG2 3.96Å; I383-A474 HydrophobicContact CG1-CB 4.02Å; I383-K477 HydrophobicContact CD1-CD 3.73Å
384K90.5Very high82.8Confident66 Ų6651.3 Ų51.329%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-144.8140.3-179.6-175.574.2-177.4-150.20109.8Y396 F397 V398 D468K384-Y396 HydrophobicContact CG-CE2 4.16Å; K384-F397 CarbonylContact O-C 3.59Å; K384-F397 VanDerWaalsContact O-CA 3.26Å; K384-F397 WeakPolarHBondContact O-CA 3.3Å; K384-F397 WeakPolarHBondContact O-CB 3.15Å; K384-V398 HydrophobicContact CB-CB 4.2Å; K384-V398 HydrophobicContact CB-CG2 4.21Å; K384-V398 PolarHBondContact N-O 2.95Å; K384-V398 PolarHBondContact O-N 3.04Å; K384-D468 VanDerWaalsContact CE-OD2 3.23Å; K384-D468 WeakPolarHBondContact CE-OD2 3.36Å; K384-D468 IonicContact NZ-OD1 3.29Å; K384-D468 IonicContact NZ-OD2 2.76Å; K384-D468 PolarHBondContact NZ-OD2 3.38Å
385L89.1Confident83.1Confident45 Ų4550.8 Ų50.824%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-133.6123.5167.817865.4000107.7L368 I371 Y387 F397L368-L385 HydrophobicContact CB-CD2 3.86Å; L368-L385 HydrophobicContact CD1-CD2 3.91Å; L368-L385 HydrophobicContact CG-CD2 4.37Å; I371-L385 HydrophobicContact CD1-CD1 3.94Å; L385-Y387 HydrophobicContact CD1-CD2 3.96Å; L385-Y387 HydrophobicContact CD1-CE2 3.61Å; L385-Y387 HydrophobicContact CD2-CD2 4.17Å; L385-Y387 HydrophobicContact CD2-CE2 3.94Å; L385-Y387 HydrophobicContact CG-CD2 3.99Å; L385-Y387 HydrophobicContact CG-CE2 3.99Å; L385-F397 HydrophobicContact CD1-CB 3.64Å
386S87Confident83.5Confident7 Ų751 Ų515%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-125.3130.3170.3176.50000109.7D388 P395 Y396S386-D388 PolarHBondContact OG-N 3.26Å; S386-D388 PolarHBondContact OG-OD2 3.32Å; S386-P395 CarbonylContact O-C 3.4Å; S386-P395 VanDerWaalsContact O-CA 3.24Å; S386-P395 WeakPolarHBondContact O-CA 3.44Å; S386-Y396 PolarHBondContact N-O 2.98Å; S386-Y396 PolarHBondContact O-N 3.48Å; S386-Y396 VanDerWaalsContact O-O 3.06Å
387Y82.1Confident83.9Confident17 Ų1749.4 Ų49.47%0.06724%0.244CC..  trans-112.716172.1-89.4-75.2000112.2V315 Y364 D367 I371 L385 N389 P395V315-Y387 VanDerWaalsContact O-CE1 3.32Å; V315-Y387 WeakPolarHBondContact O-CE1 3.42Å; V315-Y387 PolarHBondContact O-OH 2.55Å; Y364-Y387 HydrophobicContact CD1-CD2 4.17Å; Y364-Y387 AromaticContact CD1-CG 3.96Å; Y364-Y387 HydrophobicContact CD1-CG 3.96Å; Y364-Y387 HydrophobicContact CD2-CD2 4.5Å; Y364-Y387 HydrophobicContact CE1-CG 4.35Å; Y364-Y387 AromaticContact CG-CD2 3.92Å; Y364-Y387 HydrophobicContact CG-CD2 3.92Å; Y364-Y387 HydrophobicContact CG-CG 4.13Å; D367-Y387 HydrophobicContact CB-CD2 4.2Å; D367-Y387 HydrophobicContact CB-CE1 4.36Å; D367-Y387 HydrophobicContact CB-CE2 3.48Å; D367-Y387 VanDerWaalsContact CB-CE2 3.48Å; I371-Y387 HydrophobicContact CD1-CE2 4.21Å; I371-Y387 VanDerWaalsContact CD1-OH 3.27Å; I371-Y387 WeakPolarHBondContact CD1-OH 3.44Å; L385-Y387 HydrophobicContact CD1-CD2 3.96Å; L385-Y387 HydrophobicContact CD1-CE2 3.61Å; L385-Y387 HydrophobicContact CD2-CD2 4.17Å; L385-Y387 HydrophobicContact CD2-CE2 3.94Å; L385-Y387 HydrophobicContact CG-CD2 3.99Å; L385-Y387 HydrophobicContact CG-CE2 3.99Å; Y387-N389 PolarHBondContact O-N 3.11Å; Y387-P395 HydrophobicContact CD1-CB 3.8Å; Y387-P395 HydrophobicContact CD1-CG 4.21Å; Y387-P395 HydrophobicContact CE1-CB 4.26Å; Y387-P395 HydrophobicContact CG-CB 4.48Å
388D78.7Confident84.3Confident74 Ų7449.1 Ų49.140%0.39624%0.242SC..  trans-66119.1175.4-58.2-36.6000108.5Y364 S386Y364-D388 PolarHBondContact OH-OD1 3.09Å; Y364-D388 VanDerWaalsContact OH-OD1 3.14Å; S386-D388 PolarHBondContact OG-N 3.26Å; S386-D388 PolarHBondContact OG-OD2 3.32Å
389N72.1Confident84.7Confident90 Ų9043.2 Ų43.248%0.48122%0.22SC..  trans-118.895.2-178.9-169.555.9000107.7Y387 P395Y387-N389 PolarHBondContact O-N 3.11Å; N389-P395 HydrophobicContact CB-CG 4.15Å
390S69.9Low85.3Confident60 Ų6038.8 Ų38.842%0.4220%0.2SC..BIsolated β-bridgetrans-121.2175.3177.579.10000109.7Y392 Q393S390-Y392 PolarHBondContact O-N 2.54Å; S390-Y392 VanDerWaalsContact O-N 3.15Å; S390-Y392 PolarHBondContact OG-N 3.39Å; S390-Q393 PolarHBondContact N-O 2.84Å; S390-Q393 PolarHBondContact O-N 2.9Å; S390-Q393 WeakPolarHBondContact OG-CB 3.35Å; S390-Q393 PolarHBondContact OG-N 3.39Å
391V65.4Low85.7Confident107 Ų10734.8 Ų34.865%0.64818%0.178SC*.THydrogen-bonded Turntrans-57.2-30.5177-179.40000111.7R457V391-R457 VanDerWaalsContact O-CZ 3.26Å; V391-R457 PolarHBondContact O-NE 3.47Å; V391-R457 PolarHBondContact O-NH2 3.36Å
392Y70.1Confident85.9Confident154 Ų15436.5 Ų36.560%0.60419%0.188SC*.THydrogen-bonded Turntrans-107.70.8-176.6-59.3-74.1000114.2S390S390-Y392 PolarHBondContact O-N 2.54Å; S390-Y392 VanDerWaalsContact O-N 3.15Å; S390-Y392 PolarHBondContact OG-N 3.39Å
393Q80.9Confident85.9Confident35 Ų3541.6 Ų41.616%0.16421%0.21CC..BIsolated β-bridgetrans-139.3130.5-174.7-166.2174.31900111.7S390S390-Q393 PolarHBondContact N-O 2.84Å; S390-Q393 PolarHBondContact O-N 2.9Å; S390-Q393 WeakPolarHBondContact OG-CB 3.35Å; S390-Q393 PolarHBondContact OG-N 3.39Å
394S86.2Confident85.8Confident10 Ų1041.2 Ų41.27%0.0721%0.21CC..  trans-107.8143.2173.4-59.80000110.3Y396 I494S394-Y396 PolarHBondContact O-N 3.13Å; S394-I494 VanDerWaalsContact OG-CD1 3.23Å; S394-I494 WeakPolarHBondContact OG-CD1 2.99Å
395P89.7Confident85.9Confident0 Ų045 Ų450%023%0.227CC..  trans-53.7138173.5-30.237.5000112.3S386 Y387 N389 R412S386-P395 CarbonylContact O-C 3.4Å; S386-P395 VanDerWaalsContact O-CA 3.24Å; S386-P395 WeakPolarHBondContact O-CA 3.44Å; Y387-P395 HydrophobicContact CD1-CB 3.8Å; Y387-P395 HydrophobicContact CD1-CG 4.21Å; Y387-P395 HydrophobicContact CE1-CB 4.26Å; Y387-P395 HydrophobicContact CG-CB 4.48Å; N389-P395 HydrophobicContact CB-CG 4.15Å; P395-R412 HydrophobicContact CB-CB 3.89Å; P395-R412 HydrophobicContact CG-CB 4.47Å; P395-R412 VanDerWaalsContact O-CB 3.23Å; P395-R412 WeakPolarHBondContact O-CB 3.11Å; P395-R412 PolarHBondContact O-N 3.41Å
396Y93.8Very high86.2Confident3 Ų342.9 Ų42.91%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-152.2161.7179.172.5-80.9000111.3K384 S386 S394 V398 S410 L461 L465K384-Y396 HydrophobicContact CG-CE2 4.16Å; S386-Y396 PolarHBondContact N-O 2.98Å; S386-Y396 PolarHBondContact O-N 3.48Å; S386-Y396 VanDerWaalsContact O-O 3.06Å; S394-Y396 PolarHBondContact O-N 3.13Å; Y396-V398 HydrophobicContact CD2-CG2 4.2Å; Y396-V398 HydrophobicContact CE2-CG2 4.07Å; Y396-S410 CarbonylContact C-O 3.48Å; Y396-S410 WeakPolarHBondContact CA-O 3.44Å; Y396-S410 WeakPolarHBondContact CB-O 3.23Å; Y396-L461 HydrophobicContact CD1-CD1 3.53Å; Y396-L461 HydrophobicContact CD2-CD1 3.8Å; Y396-L461 HydrophobicContact CE1-CD1 3.4Å; Y396-L461 HydrophobicContact CE2-CD1 3.67Å; Y396-L461 HydrophobicContact CG-CD1 3.73Å; Y396-L461 VanDerWaalsContact CZ-CD1 3.46Å; Y396-L465 HydrophobicContact CE2-CD2 3.92Å
397F93.9Very high86.7Confident0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-134.3153.2165.870.8-107.2000111.7L311 V315 I371 F382 K384 L385 A399 V408 I409 S410L311-F397 HydrophobicContact CB-CZ 4.41Å; L311-F397 HydrophobicContact CD2-CZ 4.4Å; L311-F397 WeakPolarHBondContact O-CZ 3.39Å; V315-F397 HydrophobicContact CB-CD1 4.39Å; V315-F397 HydrophobicContact CB-CE1 4.26Å; V315-F397 HydrophobicContact CG1-CD1 4.31Å; V315-F397 HydrophobicContact CG2-CD1 3.77Å; V315-F397 HydrophobicContact CG2-CE1 3.41Å; V315-F397 VanDerWaalsContact CG2-CE1 3.41Å; V315-F397 HydrophobicContact CG2-CZ 4.36Å; I371-F397 HydrophobicContact CD1-CD1 4.26Å; I371-F397 HydrophobicContact CG2-CE1 4.35Å; F382-F397 HydrophobicContact CD1-CB 4.33Å; F382-F397 HydrophobicContact CD1-CD2 4.23Å; F382-F397 HydrophobicContact CD1-CG 4.43Å; F382-F397 HydrophobicContact CE1-CB 4.24Å; F382-F397 HydrophobicContact CE1-CD1 4.43Å; F382-F397 AromaticContact CE1-CD2 3.68Å; F382-F397 HydrophobicContact CE1-CD2 3.68Å; F382-F397 HydrophobicContact CE1-CE2 4.07Å; F382-F397 AromaticContact CE1-CG 3.89Å; F382-F397 HydrophobicContact CE1-CG 3.89Å; K384-F397 CarbonylContact O-C 3.59Å; K384-F397 VanDerWaalsContact O-CA 3.26Å; K384-F397 WeakPolarHBondContact O-CA 3.3Å; K384-F397 WeakPolarHBondContact O-CB 3.15Å; L385-F397 HydrophobicContact CD1-CB 3.64Å; F397-A399 HydrophobicContact CD2-CB 3.88Å; F397-A399 HydrophobicContact CE2-CB 3.96Å; F397-V408 HydrophobicContact CE2-CG1 4.01Å; F397-I409 WeakPolarHBondContact O-CA 3.12Å; F397-S410 PolarHBondContact N-O 2.71Å; F397-S410 PolarHBondContact O-N 3.31Å
398V95.4Very high87.4Confident0 Ų041.7 Ų41.70%021%0.21CC..EExtended strand (participates in β ladder)trans-116.2120.9170.5-173.80000107.4I383 K384 Y396 I407 V408 I409 L465I383-V398 HydrophobicContact CB-CB 4.35Å; I383-V398 HydrophobicContact CB-CG1 4.26Å; I383-V398 PolarHBondContact N-O 3.13Å; K384-V398 HydrophobicContact CB-CB 4.2Å; K384-V398 HydrophobicContact CB-CG2 4.21Å; K384-V398 PolarHBondContact N-O 2.95Å; K384-V398 PolarHBondContact O-N 3.04Å; Y396-V398 HydrophobicContact CD2-CG2 4.2Å; Y396-V398 HydrophobicContact CE2-CG2 4.07Å; V398-I407 HydrophobicContact CG1-CG2 4.35Å; V398-V408 WeakPolarHBondContact CA-O 3.36Å; V398-I409 HydrophobicContact CG1-CG1 4.37Å; V398-I409 HydrophobicContact CG2-CG1 4.24Å; V398-L465 HydrophobicContact CG2-CD2 3.54Å
399A94.4Very high88.4Confident0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-138.4155.6-179.600000111.8L377 Q381 F382 F397 V408L377-A399 HydrophobicContact CD1-CB 4.08Å; Q381-A399 CarbonylContact O-C 3.5Å; Q381-A399 VanDerWaalsContact O-CA 3.32Å; Q381-A399 WeakPolarHBondContact O-CA 3.38Å; F382-A399 HydrophobicContact CD1-CB 4Å; F382-A399 HydrophobicContact CE1-CB 4Å; F382-A399 HydrophobicContact CG-CB 4.41Å; F382-A399 HydrophobicContact CZ-CB 4.39Å; F397-A399 HydrophobicContact CD2-CB 3.88Å; F397-A399 HydrophobicContact CE2-CB 3.96Å; A399-V408 HydrophobicContact CB-CG1 4.03Å; A399-V408 PolarHBondContact N-O 3.15Å; A399-V408 WeakPolarHBondContact O-CG1 3.4Å; A399-V408 PolarHBondContact O-N 3.02Å
400V95.8Very high89.5Confident5 Ų533.9 Ų33.93%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-97.3110.3172.6176.70000108.2Q381 I383 A474 K478 Y481Q381-V400 WeakPolarHBondContact CB-O 3.18Å; Q381-V400 PolarHBondContact NE2-O 3.04Å; Q381-V400 PolarHBondContact O-N 3.31Å; I383-V400 HydrophobicContact CD1-CG2 4.18Å; I383-V400 HydrophobicContact CG1-CG2 4.24Å; V400-A474 HydrophobicContact CG2-CB 4.19Å; V400-K478 HydrophobicContact CG1-CB 4.28Å; V400-K478 HydrophobicContact CG1-CG 3.51Å; V400-Y481 HydrophobicContact CG1-CD2 3.87Å; V400-Y481 HydrophobicContact CG1-CE2 3.72Å
401D94.8Very high90.7Very high0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-96.1101.5178.7-173.541.4000110.7R307 L311 L377 F403 S404 K405 C406R307-D401 IonicContact CZ-OD1 3.78Å; R307-D401 IonicContact CZ-OD2 3.03Å; R307-D401 IonicContact NE-OD1 3.09Å; R307-D401 PolarHBondContact NE-OD1 3.38Å; R307-D401 IonicContact NE-OD2 2.66Å; R307-D401 PolarHBondContact NE-OD2 3.42Å; R307-D401 IonicContact NH2-OD1 3.37Å; R307-D401 PolarHBondContact NH2-OD1 3.31Å; R307-D401 IonicContact NH2-OD2 3.41Å; L311-D401 HydrophobicContact CD1-CB 4.49Å; L377-D401 HydrophobicContact CD2-CB 4.42Å; L377-D401 WeakPolarHBondContact CD2-OD1 3.43Å; D401-F403 PolarHBondContact O-N 2.68Å; D401-S404 WeakPolarHBondContact OD2-CB 3.5Å; D401-S404 PolarHBondContact OD2-N 3.03Å; D401-S404 VanDerWaalsContact OD2-N 3.14Å; D401-S404 PolarHBondContact OD2-OG 3.5Å; D401-K405 WeakPolarHBondContact O-CA 3.41Å; D401-K405 PolarHBondContact O-N 2.8Å; D401-C406 PolarHBondContact N-O 3.17Å; D401-C406 PolarHBondContact O-N 3.05Å; D401-C406 VanDerWaalsContact O-N 3.15Å
402D93.5Very high91.9Very high44 Ų4427 Ų2724%0.23512%0.122CC..THydrogen-bonded Turntrans-65.6-25.4177.4-71-42.4000112.7R378 Q381 K478 Y481R378-D402 IonicContact NH2-OD2 3.3Å; Q381-D402 PolarHBondContact NE2-OD2 2.68Å; D402-K478 VanDerWaalsContact OD1-CE 3.29Å; D402-K478 WeakPolarHBondContact OD1-CE 3.37Å; D402-K478 IonicContact OD1-NZ 3.84Å; D402-K478 PolarHBondContact OD1-NZ 3.39Å; D402-Y481 WeakPolarHBondContact OD1-CE2 3.43Å; D402-Y481 PolarHBondContact OD1-OH 2.72Å
403F89.5Confident92.6Very high121 Ų12119.8 Ų19.853%0.5319%0.094SC..THydrogen-bonded Turntrans-67.7-47.4-179.8-69.4-76.4000112.3D401D401-F403 PolarHBondContact O-N 2.68Å
404S89.7Confident92.4Very high27 Ų2718.8 Ų18.819%0.1899%0.09CC..THydrogen-bonded Turntrans-95.14176.862.10000113.9D401 C406D401-S404 WeakPolarHBondContact OD2-CB 3.5Å; D401-S404 PolarHBondContact OD2-N 3.03Å; D401-S404 VanDerWaalsContact OD2-N 3.14Å; D401-S404 PolarHBondContact OD2-OG 3.5Å; S404-C406 VanDerWaalsContact C-N 3.28Å; S404-C406 PolarHBondContact O-N 2.92Å; S404-C406 PolarHBondContact OG-SG 2.77Å
405K93.1Very high91.3Very high146 Ų14622.4 Ų22.464%0.63511%0.108SC*.THydrogen-bonded Turntrans50.445.4-178-59.3-179.7-179.4177.80112.6D401 Y481 K482D401-K405 WeakPolarHBondContact O-CA 3.41Å; D401-K405 PolarHBondContact O-N 2.8Å; K405-Y481 VanDerWaalsContact C-CD2 3.46Å; K405-Y481 HydrophobicContact CB-CD1 4.24Å; K405-Y481 HydrophobicContact CB-CE1 4.09Å; K405-Y481 HydrophobicContact CG-CE1 4.39Å; K405-K482 PolarHBondContact O-N 3.22Å
406C95.3Very high90Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-135.9157.2-178.679.80000112.8D401 S404 K482 V484D401-C406 PolarHBondContact N-O 3.17Å; D401-C406 PolarHBondContact O-N 3.05Å; D401-C406 VanDerWaalsContact O-N 3.15Å; S404-C406 VanDerWaalsContact C-N 3.28Å; S404-C406 PolarHBondContact O-N 2.92Å; S404-C406 PolarHBondContact OG-SG 2.77Å; C406-K482 CarbonylContact C-O 3.55Å; C406-K482 WeakPolarHBondContact CA-O 3.42Å; C406-K482 WeakPolarHBondContact CB-O 3.27Å; C406-V484 HydrophobicContact CB-CG2 3.82Å
407I97.4Very high88.5Confident0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-93.1116167-63.5164.2000105.9V398 A474 F475 K482 L483 V484V398-I407 HydrophobicContact CG1-CG2 4.35Å; I407-A474 HydrophobicContact CB-CB 4.38Å; I407-A474 HydrophobicContact CD1-CB 3.77Å; I407-A474 HydrophobicContact CG1-CB 3.95Å; I407-A474 HydrophobicContact CG2-CB 3.52Å; I407-F475 HydrophobicContact CD1-CB 4.34Å; I407-F475 HydrophobicContact CD1-CD1 3.44Å; I407-F475 VanDerWaalsContact CD1-CD1 3.44Å; I407-F475 HydrophobicContact CD1-CD2 4.02Å; I407-F475 HydrophobicContact CD1-CE1 3.64Å; I407-F475 HydrophobicContact CD1-CE2 4.19Å; I407-F475 HydrophobicContact CD1-CG 3.65Å; I407-F475 HydrophobicContact CD1-CZ 4.01Å; I407-K482 PolarHBondContact N-O 2.97Å; I407-L483 HydrophobicContact CB-CD1 4.12Å; I407-L483 HydrophobicContact CG2-CD1 3.84Å; I407-V484 PolarHBondContact O-N 3.2Å
408V97Very high86.7Confident0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-104131.6-176.266.10000111.1L311 F397 V398 A399 V484 C486L311-V408 HydrophobicContact CD1-CB 4.35Å; L311-V408 HydrophobicContact CD1-CG1 4.14Å; L311-V408 HydrophobicContact CD1-CG2 4.15Å; F397-V408 HydrophobicContact CE2-CG1 4.01Å; V398-V408 WeakPolarHBondContact CA-O 3.36Å; A399-V408 HydrophobicContact CB-CG1 4.03Å; A399-V408 PolarHBondContact N-O 3.15Å; A399-V408 WeakPolarHBondContact O-CG1 3.4Å; A399-V408 PolarHBondContact O-N 3.02Å; V408-V484 CarbonylContact C-O 3.22Å; V408-V484 WeakPolarHBondContact CA-O 3.31Å; V408-C486 VanDerWaalsContact CG2-SG 3.53Å
409I97.8Very high85.2Confident0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-109.7106.8166.6-55.6176.2000106.5F397 V398 I411 L465 I471 L483 V484 V485 C486 L498 L502F397-I409 WeakPolarHBondContact O-CA 3.12Å; V398-I409 HydrophobicContact CG1-CG1 4.37Å; V398-I409 HydrophobicContact CG2-CG1 4.24Å; I409-I411 HydrophobicContact CG2-CG1 4.29Å; I409-L465 HydrophobicContact CD1-CD1 3.95Å; I409-I471 HydrophobicContact CD1-CD1 4.02Å; I409-I471 HydrophobicContact CD1-CG1 4.13Å; I409-L483 HydrophobicContact CD1-CD1 3.98Å; I409-L483 HydrophobicContact CG1-CD1 4.24Å; I409-V484 PolarHBondContact N-O 3.3Å; I409-V485 HydrophobicContact CB-CG1 4.37Å; I409-V485 HydrophobicContact CB-CG2 4.46Å; I409-V485 HydrophobicContact CD1-CG2 4.37Å; I409-V485 CarbonylContact O-C 3.51Å; I409-V485 WeakPolarHBondContact O-CA 3.32Å; I409-C486 PolarHBondContact O-N 3.42Å; I409-L498 HydrophobicContact CG2-CD2 4.18Å; I409-L502 HydrophobicContact CD1-CD1 4.17Å
410S96.6Very high83.7Confident0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-107.7121.2-176.2-164.50000110.2L311 V312 V315 Y396 F397 C486L311-S410 PolarHBondContact O-OG 3.16Å; V312-S410 WeakPolarHBondContact CA-OG 3.48Å; V315-S410 WeakPolarHBondContact CG2-OG 3.18Å; Y396-S410 CarbonylContact C-O 3.48Å; Y396-S410 WeakPolarHBondContact CA-O 3.44Å; Y396-S410 WeakPolarHBondContact CB-O 3.23Å; F397-S410 PolarHBondContact N-O 2.71Å; F397-S410 PolarHBondContact O-N 3.31Å; S410-C486 WeakPolarHBondContact CA-O 2.95Å
411I95.7Very high82.1Confident1 Ų130 Ų301%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-113.1128.4-172.1-52.3172.7000110I409 L461 V485 C486 G487 I494 A495 L498I409-I411 HydrophobicContact CG2-CG1 4.29Å; I411-L461 HydrophobicContact CD1-CD2 3.47Å; I411-L461 VanDerWaalsContact CD1-CD2 3.47Å; I411-L461 HydrophobicContact CG1-CD2 3.93Å; I411-V485 HydrophobicContact CD1-CG1 4.15Å; I411-C486 PolarHBondContact N-O 3.45Å; I411-G487 WeakPolarHBondContact O-CA 3.42Å; I411-I494 HydrophobicContact CD1-CB 4.43Å; I411-I494 HydrophobicContact CD1-CG2 3.9Å; I411-I494 HydrophobicContact CG2-CB 4.29Å; I411-I494 HydrophobicContact CG2-CD1 4.46Å; I411-I494 HydrophobicContact CG2-CG2 4.21Å; I411-A495 HydrophobicContact CD1-CB 4.06Å; I411-L498 HydrophobicContact CD1-CD2 3.89Å
412R90.5Very high80.5Confident22 Ų2232 Ų328%0.08316%0.162CC..PPolyproline II helixtrans-76.9142.4176.9-155.3-160.3-17917115.7111V315 Y316 P395 L415V315-R412 HydrophobicContact CB-CB 4.24Å; V315-R412 HydrophobicContact CB-CG 4.38Å; V315-R412 HydrophobicContact CG1-CB 3.57Å; V315-R412 HydrophobicContact CG1-CG 4.06Å; Y316-R412 HydrophobicContact CD1-CG 4.13Å; Y316-R412 HydrophobicContact CE1-CG 3.99Å; Y316-R412 HydrophobicContact CE2-CG 4.46Å; Y316-R412 HydrophobicContact CG-CG 4.4Å; P395-R412 HydrophobicContact CB-CB 3.89Å; P395-R412 HydrophobicContact CG-CB 4.47Å; P395-R412 VanDerWaalsContact O-CB 3.23Å; P395-R412 WeakPolarHBondContact O-CB 3.11Å; P395-R412 PolarHBondContact O-N 3.41Å; R412-L415 VanDerWaalsContact NH2-CD2 3.31Å; R412-L415 VanDerWaalsContact NH2-CG 3.31Å
413G84.2Confident79.2Confident1 Ų130.5 Ų30.51%0.0116%0.155CC..PPolyproline II helixtrans-77170.2161.700000112.8H488G413-H488 VanDerWaalsContact CA-O 3.31Å; G413-H488 WeakPolarHBondContact CA-O 3.39Å; G413-H488 PolarHBondContact N-O 3.03Å
414T75.5Confident78.1Confident14 Ų1425 Ų259%0.08613%0.131CC..PPolyproline II helixtrans-69.8141.1177-460000111.1S416 D419 L490T414-S416 VanDerWaalsContact C-N 3.29Å; T414-S416 WeakPolarHBondContact CG2-O 3.27Å; T414-D419 HydrophobicContact CG2-CB 3.62Å; T414-D419 VanDerWaalsContact CG2-OD2 3.28Å; T414-D419 WeakPolarHBondContact CG2-OD2 3.38Å; T414-L490 WeakPolarHBondContact OG1-CD2 3.5Å
415L64.5Low76.9Confident86 Ų8627 Ų2745%0.4514%0.138SC..SBendtrans-74.6-21.7171.7-76.7-178000113.3Y316 L319 R412Y316-L415 HydrophobicContact CD1-CD2 4.08Å; Y316-L415 HydrophobicContact CE1-CD2 4.23Å; L319-L415 HydrophobicContact CD2-CD1 4.05Å; L319-L415 HydrophobicContact CD2-CD2 3.7Å; R412-L415 VanDerWaalsContact NH2-CD2 3.31Å; R412-L415 VanDerWaalsContact NH2-CG 3.31Å
416S61.8Low75.8Confident33 Ų3325.8 Ų25.823%0.23113%0.131CC..  trans-100.4124.9176.897.30000108.1T414 D418 D419 T420T414-S416 VanDerWaalsContact C-N 3.29Å; T414-S416 WeakPolarHBondContact CG2-O 3.27Å; S416-D418 PolarHBondContact O-N 3.41Å; S416-D419 WeakPolarHBondContact OG-CB 3.37Å; S416-D419 PolarHBondContact OG-N 2.83Å; S416-D419 PolarHBondContact OG-OD2 2.62Å; S416-T420 PolarHBondContact O-OG1 3.02Å
417F61.3Low75Confident22 Ų2227.4 Ų27.410%0.09614%0.14CC..Hα-helixtrans-71.2-21.5170.4-63.7-79.9000111.2S230 D419 T420 I421 F543 H813 F814S230-F417 VanDerWaalsContact OG-CD2 3.27Å; S230-F417 WeakPolarHBondContact OG-CD2 3.26Å; F417-D419 VanDerWaalsContact C-N 3.31Å; F417-D419 PolarHBondContact O-N 2.96Å; F417-T420 WeakPolarHBondContact O-CA 3.39Å; F417-T420 WeakPolarHBondContact O-CB 3.4Å; F417-T420 PolarHBondContact O-N 2.95Å; F417-T420 VanDerWaalsContact O-N 3.1Å; F417-I421 WeakPolarHBondContact O-CD1 3.5Å; F417-I421 WeakPolarHBondContact O-CG1 3.36Å; F417-I421 PolarHBondContact O-N 3.41Å; F417-F543 HydrophobicContact CB-CZ 4.34Å; F417-F543 HydrophobicContact CD1-CD1 4.5Å; F417-F543 AromaticContact CD1-CE1 3.52Å; F417-F543 HydrophobicContact CD1-CE1 3.52Å; F417-F543 AromaticContact CD1-CE2 3.59Å; F417-F543 HydrophobicContact CD1-CE2 3.59Å; F417-F543 AromaticContact CD1-CZ 2.98Å; F417-F543 HydrophobicContact CD1-CZ 2.98Å; F417-F543 HydrophobicContact CE1-CD2 4.17Å; F417-F543 HydrophobicContact CE1-CE1 4.08Å; F417-F543 AromaticContact CE1-CE2 3.26Å; F417-F543 HydrophobicContact CE1-CE2 3.26Å; F417-F543 AromaticContact CE1-CZ 3.23Å; F417-F543 HydrophobicContact CE1-CZ 3.23Å; F417-F543 HydrophobicContact CG-CE1 4.42Å; F417-F543 AromaticContact CG-CZ 3.86Å; F417-F543 HydrophobicContact CG-CZ 3.86Å; F417-F543 HydrophobicContact CZ-CE2 4.14Å; F417-F543 HydrophobicContact CZ-CZ 4.26Å; F417-H813 AromaticContact CE1-CD2 3.63Å; F417-H813 AromaticContact CE1-NE2 3.98Å; F417-F814 HydrophobicContact CZ-CE1 4.48Å
418D57.2Low74.6Confident45 Ų4527.5 Ų27.524%0.24114%0.14CC..Hα-helixtrans-52.9-47.5172.6-59.715.9000111.2A233 S416 V422A233-D418 WeakPolarHBondContact CB-OD1 3.25Å; S416-D418 PolarHBondContact O-N 3.41Å; D418-V422 PolarHBondContact O-N 3.26Å
419D63.5Low74.3Confident65 Ų6528.5 Ų28.535%0.34815%0.147SC..Hα-helixtrans-69.9-37.9176.8-59.3-33.2000110.6T414 S416 F417 I421 V422 D423T414-D419 HydrophobicContact CG2-CB 3.62Å; T414-D419 VanDerWaalsContact CG2-OD2 3.28Å; T414-D419 WeakPolarHBondContact CG2-OD2 3.38Å; S416-D419 WeakPolarHBondContact OG-CB 3.37Å; S416-D419 PolarHBondContact OG-N 2.83Å; S416-D419 PolarHBondContact OG-OD2 2.62Å; F417-D419 VanDerWaalsContact C-N 3.31Å; F417-D419 PolarHBondContact O-N 2.96Å; D419-I421 VanDerWaalsContact C-N 3.29Å; D419-I421 PolarHBondContact O-N 3.44Å; D419-V422 PolarHBondContact O-N 3.08Å; D419-D423 VanDerWaalsContact O-CB 3.24Å; D419-D423 WeakPolarHBondContact O-CB 3.28Å; D419-D423 PolarHBondContact O-N 2.88Å
420T63Low74.1Confident1 Ų131.4 Ų31.41%0.00616%0.157CC..Hα-helixtrans-57.8-38.4178.2-54.30000112.4S416 F417 L424 F543S416-T420 PolarHBondContact O-OG1 3.02Å; F417-T420 WeakPolarHBondContact O-CA 3.39Å; F417-T420 WeakPolarHBondContact O-CB 3.4Å; F417-T420 PolarHBondContact O-N 2.95Å; F417-T420 VanDerWaalsContact O-N 3.1Å; T420-L424 HydrophobicContact CG2-CD1 3.96Å; T420-L424 HydrophobicContact CG2-CG 4.4Å; T420-L424 WeakPolarHBondContact O-CB 3.48Å; T420-L424 WeakPolarHBondContact O-CG 3.42Å; T420-L424 PolarHBondContact O-N 2.95Å; T420-F543 HydrophobicContact CG2-CD1 4.07Å; T420-F543 HydrophobicContact CG2-CE1 4.27Å
421I61.7Low74Confident1 Ų131.4 Ų31.41%0.00516%0.157CC..Hα-helixtrans-78.4-46.2-177.9-59.7149.5000111.8L234 F417 D419 D423 L424 L425 M546L234-I421 VanDerWaalsContact CA-CD1 3.48Å; L234-I421 HydrophobicContact CB-CD1 3.75Å; L234-I421 HydrophobicContact CD1-CD1 3.33Å; L234-I421 HydrophobicContact CD1-CG1 3.63Å; L234-I421 HydrophobicContact CG-CD1 4.14Å; F417-I421 WeakPolarHBondContact O-CD1 3.5Å; F417-I421 WeakPolarHBondContact O-CG1 3.36Å; F417-I421 PolarHBondContact O-N 3.41Å; D419-I421 VanDerWaalsContact C-N 3.29Å; D419-I421 PolarHBondContact O-N 3.44Å; I421-D423 CarbonylContact O-C 3.54Å; I421-D423 PolarHBondContact O-N 2.88Å; I421-L424 PolarHBondContact O-N 3.23Å; I421-L425 HydrophobicContact CG2-CD1 3.8Å; I421-L425 HydrophobicContact CG2-CG 4.18Å; I421-L425 WeakPolarHBondContact O-CG 3.32Å; I421-L425 PolarHBondContact O-N 2.85Å; I421-M546 HydrophobicContact CG1-CE 4.31Å
422V61.9Low73.8Confident43 Ų4333.7 Ų33.726%0.26117%0.174SC..Hα-helixtrans-55-42.4175.4170.40000108.3D418 D419 Y426D418-V422 PolarHBondContact O-N 3.26Å; D419-V422 PolarHBondContact O-N 3.08Å; V422-Y426 HydrophobicContact CG1-CE2 3.83Å; V422-Y426 WeakPolarHBondContact O-CD2 3.36Å; V422-Y426 WeakPolarHBondContact O-CE2 3.43Å
423D66.4Low74Confident13 Ų1336.3 Ų36.37%0.0719%0.187CC..Hα-helixtrans-56.1-68.9167.9-67.5-26.6000108.8D419 I421 L425 Y426 H451 R457 L490D419-D423 VanDerWaalsContact O-CB 3.24Å; D419-D423 WeakPolarHBondContact O-CB 3.28Å; D419-D423 PolarHBondContact O-N 2.88Å; I421-D423 CarbonylContact O-C 3.54Å; I421-D423 PolarHBondContact O-N 2.88Å; D423-L425 PolarHBondContact O-N 3.44Å; D423-Y426 WeakPolarHBondContact O-CD2 3.18Å; D423-Y426 PolarHBondContact O-N 2.94Å; D423-H451 VanDerWaalsContact C-NE2 3.31Å; D423-H451 PolarHBondContact O-CE1 3.2Å; D423-H451 PolarHBondContact O-NE2 3.48Å; D423-R457 IonicContact OD1-NH2 3.87Å; D423-R457 PolarHBondContact OD1-NH2 3.04Å; D423-R457 IonicContact OD2-CZ 3.15Å; D423-R457 VanDerWaalsContact OD2-CZ 3.29Å; D423-R457 IonicContact OD2-NH1 3.74Å; D423-R457 PolarHBondContact OD2-NH1 3.22Å; D423-R457 IonicContact OD2-NH2 3.34Å; D423-R457 PolarHBondContact OD2-NH2 3.34Å; D423-L490 HydrophobicContact CB-CD1 4.36Å; D423-L490 VanDerWaalsContact OD2-CD2 3.27Å; D423-L490 WeakPolarHBondContact OD2-CD2 3.46Å
424L65.6Low74.5Confident5 Ų536.3 Ų36.33%0.02619%0.187CC..Hα-helixtrans-50.4-20.2-173.8-71.1169.5000119.1T420 I421 M454 P517 M546T420-L424 HydrophobicContact CG2-CD1 3.96Å; T420-L424 HydrophobicContact CG2-CG 4.4Å; T420-L424 WeakPolarHBondContact O-CB 3.48Å; T420-L424 WeakPolarHBondContact O-CG 3.42Å; T420-L424 PolarHBondContact O-N 2.95Å; I421-L424 PolarHBondContact O-N 3.23Å; L424-M454 HydrophobicContact CD2-CE 3.75Å; L424-P517 HydrophobicContact CD1-CB 4.31Å; L424-P517 HydrophobicContact CD2-CB 3.29Å; L424-P517 HydrophobicContact CD2-CG 3.82Å; L424-P517 HydrophobicContact CG-CB 4.34Å; L424-M546 HydrophobicContact CD1-CB 4.31Å; L424-M546 HydrophobicContact CD1-CE 4.26Å
425L64.3Low75.4Confident68 Ų6835.7 Ų35.736%0.35618%0.183SC..THydrogen-bonded Turntrans-94.30.2-179.2-66.2176.8000113.8I421 D423 I551I421-L425 HydrophobicContact CG2-CD1 3.8Å; I421-L425 HydrophobicContact CG2-CG 4.18Å; I421-L425 WeakPolarHBondContact O-CG 3.32Å; I421-L425 PolarHBondContact O-N 2.85Å; D423-L425 PolarHBondContact O-N 3.44Å; L425-I551 HydrophobicContact CD2-CD1 3.77Å
426Y69.5Low76.9Confident122 Ų12235.2 Ų35.248%0.47818%0.183SC..SBendtrans-69.8154.3176.9-88.6-88.5000112.9V422 D423V422-Y426 HydrophobicContact CG1-CE2 3.83Å; V422-Y426 WeakPolarHBondContact O-CD2 3.36Å; V422-Y426 WeakPolarHBondContact O-CE2 3.43Å; D423-Y426 WeakPolarHBondContact O-CD2 3.18Å; D423-Y426 PolarHBondContact O-N 2.94Å
427D80Confident78.4Confident34 Ų3435.7 Ų35.718%0.18218%0.182CC..PPolyproline II helixtrans-66.9157.9168.3-61-42.3000111.4R452 K548 H686D427-R452 WeakPolarHBondContact O-CB 3.4Å; D427-R452 PolarHBondContact O-N 3.33Å; D427-K548 IonicContact OD1-NZ 2.96Å; D427-H686 IonicContact OD2-CD2 2.98Å; D427-H686 IonicContact OD2-CE1 2.76Å; D427-H686 IonicContact OD2-NE2 3.85Å; D427-H686 PolarHBondContact OD2-NE2 2.88Å
428G87.8Confident80Confident1 Ų135.4 Ų35.41%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-77.2155.2176.500000113.1G450 Y713G428-G450 CarbonylContact C-O 3.51Å; G428-G450 VanDerWaalsContact CA-O 3.26Å; G428-G450 WeakPolarHBondContact CA-O 3.28Å; G428-Y713 WeakPolarHBondContact CA-O 3.39Å; G428-Y713 PolarHBondContact N-O 2.89Å; G428-Y713 PolarHBondContact O-N 2.83Å
429V91.6Very high81.7Confident22 Ų2236.9 Ų36.913%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-124.1151.7170.268.80000108.8I449 G450 R452 V455V429-I449 WeakPolarHBondContact O-CA 3.45Å; V429-G450 PolarHBondContact N-O 3.19Å; V429-G450 PolarHBondContact O-N 3.14Å; V429-R452 HydrophobicContact CB-CB 4.29Å; V429-R452 HydrophobicContact CB-CG 4.4Å; V429-R452 HydrophobicContact CG1-CB 4.24Å; V429-R452 HydrophobicContact CG1-CG 4.46Å; V429-V455 HydrophobicContact CG1-CB 3.79Å; V429-V455 HydrophobicContact CG1-CG1 3.75Å; V429-V455 HydrophobicContact CG1-CG2 4.02Å
430R93.5Very high83.2Confident60 Ų6038.3 Ų38.323%0.22620%0.202CC..EExtended strand (participates in β ladder)trans-78.3144.3173.9-69.6-174.273.5178.410.7112.2S432 E435 P446 F448 I449 R459 Y713R430-S432 VanDerWaalsContact C-N 3.32Å; R430-S432 PolarHBondContact O-N 3.42Å; R430-E435 IonicContact CZ-OE1 3.21Å; R430-E435 IonicContact CZ-OE2 3.22Å; R430-E435 VanDerWaalsContact CZ-OE2 3.22Å; R430-E435 IonicContact NE-OE1 2.79Å; R430-E435 PolarHBondContact NE-OE1 3.42Å; R430-E435 IonicContact NE-OE2 3.29Å; R430-E435 PolarHBondContact NE-OE2 3.16Å; R430-E435 IonicContact NH2-OE1 2.83Å; R430-E435 PolarHBondContact NH2-OE1 3.13Å; R430-E435 IonicContact NH2-OE2 2.86Å; R430-E435 PolarHBondContact NH2-OE2 3Å; R430-P446 PolarHBondContact NH2-O 2.88Å; R430-F448 VanDerWaalsContact CA-O 3.3Å; R430-F448 WeakPolarHBondContact CA-O 3.4Å; R430-I449 HydrophobicContact CG-CG1 4.36Å; R430-R459 PolarHBondContact O-NH2 2.76Å; R430-Y713 WeakPolarHBondContact CD-OH 3.43Å; R430-Y713 HydrophobicContact CG-CD2 4.03Å; R430-Y713 HydrophobicContact CG-CE1 4.23Å; R430-Y713 HydrophobicContact CG-CE2 3.58Å
431L93.8Very high84.6Confident0 Ų045 Ų450%023%0.231CC..  trans-94.862.2171.3-72.980.9000109.7E433 V434 E435 F448 V455 F497 V500 L525L431-E433 PolarHBondContact O-N 2.63Å; L431-E433 VanDerWaalsContact O-N 3.13Å; L431-V434 HydrophobicContact CB-CB 4.24Å; L431-V434 HydrophobicContact CB-CG2 4.12Å; L431-V434 HydrophobicContact CD2-CG2 4.21Å; L431-V434 PolarHBondContact O-N 3.44Å; L431-E435 WeakPolarHBondContact O-CG 3.42Å; L431-E435 PolarHBondContact O-N 3.39Å; L431-F448 HydrophobicContact CB-CB 4.34Å; L431-F448 PolarHBondContact N-O 3.29Å; L431-V455 HydrophobicContact CD1-CG1 4.49Å; L431-V455 HydrophobicContact CD1-CG2 3.89Å; L431-V455 HydrophobicContact CG-CG1 4.33Å; L431-V455 HydrophobicContact CG-CG2 4.43Å; L431-F497 HydrophobicContact CD1-CE1 4.41Å; L431-F497 HydrophobicContact CD2-CD1 3.96Å; L431-V500 HydrophobicContact CD2-CG1 4.27Å; L431-L525 HydrophobicContact CD1-CD2 4.1Å; L431-L525 HydrophobicContact CD2-CD2 4.31Å
432S93Very high86Confident50 Ų5049.3 Ų49.335%0.3526%0.257SS..Hα-helixtrans-53-35.1-175.3-59.50000113.4R430 V434 E435 T436R430-S432 VanDerWaalsContact C-N 3.32Å; R430-S432 PolarHBondContact O-N 3.42Å; S432-V434 VanDerWaalsContact C-N 3.33Å; S432-V434 PolarHBondContact O-N 2.73Å; S432-E435 PolarHBondContact O-N 3.17Å; S432-T436 WeakPolarHBondContact O-CB 3.35Å; S432-T436 PolarHBondContact O-N 2.96Å; S432-T436 PolarHBondContact O-OG1 3.04Å
433E94Very high87.4Confident77 Ų7750.6 Ų50.636%0.3628%0.28SS..Hα-helixtrans-62.9-37.117762.1-85-154.200112.6L431 F437 R459L431-E433 PolarHBondContact O-N 2.63Å; L431-E433 VanDerWaalsContact O-N 3.13Å; E433-F437 PolarHBondContact O-N 3.23Å; E433-R459 VanDerWaalsContact CD-NH2 3.32Å; E433-R459 IonicContact OE1-CZ 3.4Å; E433-R459 VanDerWaalsContact OE1-CZ 3.31Å; E433-R459 IonicContact OE1-NE 3.16Å; E433-R459 PolarHBondContact OE1-NE 3.03Å; E433-R459 IonicContact OE1-NH2 2.98Å; E433-R459 PolarHBondContact OE1-NH2 2.99Å; E433-R459 IonicContact OE2-CZ 2.73Å; E433-R459 IonicContact OE2-NE 3.34Å; E433-R459 IonicContact OE2-NH2 2.83Å; E433-R459 PolarHBondContact OE2-NH2 3Å
434V94.8Very high88.6Confident1 Ų158.6 Ų58.61%0.00631%0.309CS..Hα-helixtrans-81.1-38.9177.5-174.80000110.4L431 S432 T436 F437 V438 F448 V500 I501 Y528L431-V434 HydrophobicContact CB-CB 4.24Å; L431-V434 HydrophobicContact CB-CG2 4.12Å; L431-V434 HydrophobicContact CD2-CG2 4.21Å; L431-V434 PolarHBondContact O-N 3.44Å; S432-V434 VanDerWaalsContact C-N 3.33Å; S432-V434 PolarHBondContact O-N 2.73Å; V434-T436 VanDerWaalsContact C-N 3.32Å; V434-T436 PolarHBondContact O-N 3.04Å; V434-F437 WeakPolarHBondContact O-CB 3.36Å; V434-F437 PolarHBondContact O-N 3.15Å; V434-V438 HydrophobicContact CG1-CG2 4.47Å; V434-V438 WeakPolarHBondContact O-CG2 3.43Å; V434-V438 PolarHBondContact O-N 3.39Å; V434-F448 HydrophobicContact CB-CD2 4.33Å; V434-F448 HydrophobicContact CG1-CD2 3.97Å; V434-F448 HydrophobicContact CG1-CE2 3.97Å; V434-V500 HydrophobicContact CB-CG1 4.35Å; V434-V500 HydrophobicContact CG1-CG1 3.75Å; V434-V500 HydrophobicContact CG2-CG1 3.81Å; V434-I501 HydrophobicContact CG2-CG1 4.47Å; V434-Y528 HydrophobicContact CG1-CE1 4.14Å
435E95Very high89.8Confident0 Ų063.6 Ų63.60%033%0.327CS..Hα-helixtrans-58.6-45.4176-66.7178.5162.500111.5R430 L431 S432 F437 V438 E439 R445 P446 F448R430-E435 IonicContact CZ-OE1 3.21Å; R430-E435 IonicContact CZ-OE2 3.22Å; R430-E435 VanDerWaalsContact CZ-OE2 3.22Å; R430-E435 IonicContact NE-OE1 2.79Å; R430-E435 PolarHBondContact NE-OE1 3.42Å; R430-E435 IonicContact NE-OE2 3.29Å; R430-E435 PolarHBondContact NE-OE2 3.16Å; R430-E435 IonicContact NH2-OE1 2.83Å; R430-E435 PolarHBondContact NH2-OE1 3.13Å; R430-E435 IonicContact NH2-OE2 2.86Å; R430-E435 PolarHBondContact NH2-OE2 3Å; L431-E435 WeakPolarHBondContact O-CG 3.42Å; L431-E435 PolarHBondContact O-N 3.39Å; S432-E435 PolarHBondContact O-N 3.17Å; E435-F437 VanDerWaalsContact C-N 3.33Å; E435-F437 PolarHBondContact O-N 3.06Å; E435-V438 PolarHBondContact O-N 3.01Å; E435-E439 VanDerWaalsContact O-CB 3.27Å; E435-E439 WeakPolarHBondContact O-CB 3.38Å; E435-E439 PolarHBondContact O-N 3.38Å; E435-R445 HydrophobicContact CB-CG 4.08Å; E435-R445 IonicContact OE2-CZ 3.43Å; E435-R445 IonicContact OE2-NE 3.05Å; E435-R445 PolarHBondContact OE2-NE 2.98Å; E435-R445 IonicContact OE2-NH2 2.91Å; E435-R445 PolarHBondContact OE2-NH2 3Å; E435-P446 HydrophobicContact CB-CG 4.44Å; E435-P446 HydrophobicContact CG-CG 4.33Å; E435-P446 WeakPolarHBondContact CG-O 3.36Å; E435-F448 HydrophobicContact CG-CB 3.92Å; E435-F448 HydrophobicContact CG-CD2 3.91Å; E435-F448 HydrophobicContact CG-CG 4.16Å; E435-F448 PolarHBondContact OE1-N 3.5Å
436T95.2Very high91.2Very high76 Ų7660.9 Ų60.947%0.46631%0.314SS..Hα-helixtrans-63.4-40.6178.2-53.60000110.9S432 V434 E439 S440S432-T436 WeakPolarHBondContact O-CB 3.35Å; S432-T436 PolarHBondContact O-N 2.96Å; S432-T436 PolarHBondContact O-OG1 3.04Å; V434-T436 VanDerWaalsContact C-N 3.32Å; V434-T436 PolarHBondContact O-N 3.04Å; T436-E439 PolarHBondContact O-N 2.75Å; T436-S440 WeakPolarHBondContact O-CB 3.27Å; T436-S440 PolarHBondContact O-N 3.1Å
437F94.4Very high92.3Very high44 Ų4455.7 Ų55.719%0.19330%0.296CS..Hα-helixtrans-61.7-45.8174.5172.1-98.7000112E433 V434 E435 S440 K441 C504E433-F437 PolarHBondContact O-N 3.23Å; V434-F437 WeakPolarHBondContact O-CB 3.36Å; V434-F437 PolarHBondContact O-N 3.15Å; E435-F437 VanDerWaalsContact C-N 3.33Å; E435-F437 PolarHBondContact O-N 3.06Å; F437-S440 PolarHBondContact O-N 3.47Å; F437-S440 PolarHBondContact O-OG 3.14Å; F437-K441 HydrophobicContact CE1-CD 4.15Å; F437-K441 HydrophobicContact CZ-CD 4.06Å; F437-K441 PolarHBondContact O-N 3.1Å; F437-C504 HydrophobicContact CD1-CB 4.18Å; F437-C504 HydrophobicContact CD2-CB 3.98Å; F437-C504 HydrophobicContact CE1-CB 4.26Å; F437-C504 HydrophobicContact CE2-CB 4.06Å; F437-C504 WeakPolarHBondContact CE2-O 3.48Å; F437-C504 HydrophobicContact CG-CB 4.01Å; F437-C504 HydrophobicContact CZ-CB 4.16Å
438V93.4Very high93Very high15 Ų1554.3 Ų54.39%0.09129%0.288CS..Hα-helixtrans-69.2-38.7179174.80000111.6V434 E435 S440 K441 T442 P446 F448 Y528V434-V438 HydrophobicContact CG1-CG2 4.47Å; V434-V438 WeakPolarHBondContact O-CG2 3.43Å; V434-V438 PolarHBondContact O-N 3.39Å; E435-V438 PolarHBondContact O-N 3.01Å; V438-S440 VanDerWaalsContact C-N 3.31Å; V438-S440 PolarHBondContact O-N 2.76Å; V438-K441 PolarHBondContact O-N 3.44Å; V438-K441 VanDerWaalsContact O-N 3.13Å; V438-T442 HydrophobicContact CG1-CG2 4.07Å; V438-T442 WeakPolarHBondContact O-CB 3.32Å; V438-T442 PolarHBondContact O-N 3.42Å; V438-T442 PolarHBondContact O-OG1 3.01Å; V438-P446 HydrophobicContact CB-CG 4.03Å; V438-P446 HydrophobicContact CG1-CG 3.92Å; V438-F448 HydrophobicContact CB-CE2 4.44Å; V438-F448 HydrophobicContact CG2-CE2 3.91Å; V438-F448 HydrophobicContact CG2-CZ 4.42Å; V438-Y528 HydrophobicContact CG2-CD2 4.42Å; V438-Y528 HydrophobicContact CG2-CE2 3.57Å
439E94.4Very high93.3Very high76 Ų7654.4 Ų54.436%0.35529%0.288SS..Hα-helixtrans-58-44.8173.2-177.9173.6-158.500110.8E435 T436 K441 T442 G443 R445E435-E439 VanDerWaalsContact O-CB 3.27Å; E435-E439 WeakPolarHBondContact O-CB 3.38Å; E435-E439 PolarHBondContact O-N 3.38Å; T436-E439 PolarHBondContact O-N 2.75Å; E439-K441 PolarHBondContact O-N 2.87Å; E439-K441 VanDerWaalsContact O-N 3.14Å; E439-T442 PolarHBondContact O-N 2.96Å; E439-G443 WeakPolarHBondContact O-CA 3.49Å; E439-G443 PolarHBondContact O-N 3.17Å; E439-R445 HydrophobicContact CB-CB 4.23Å; E439-R445 HydrophobicContact CB-CG 4.47Å; E439-R445 HydrophobicContact CG-CB 4.15Å; E439-R445 WeakPolarHBondContact OE2-CD 3.47Å
440S94.1Very high93.3Very high95 Ų9553.3 Ų53.366%0.66428%0.282SS*.Hα-helixtrans-60.3-26.1177.879.90000113.8T436 F437 V438T436-S440 WeakPolarHBondContact O-CB 3.27Å; T436-S440 PolarHBondContact O-N 3.1Å; F437-S440 PolarHBondContact O-N 3.47Å; F437-S440 PolarHBondContact O-OG 3.14Å; V438-S440 VanDerWaalsContact C-N 3.31Å; V438-S440 PolarHBondContact O-N 2.76Å
441K91.8Very high93.2Very high141 Ų14150.5 Ų50.561%0.61327%0.271SS*.Hα-helixtrans-95-31.1-179.5-71.6-170.4173.8-173.50114.3F437 V438 E439F437-K441 HydrophobicContact CE1-CD 4.15Å; F437-K441 HydrophobicContact CZ-CD 4.06Å; F437-K441 PolarHBondContact O-N 3.1Å; V438-K441 PolarHBondContact O-N 3.44Å; V438-K441 VanDerWaalsContact O-N 3.13Å; E439-K441 PolarHBondContact O-N 2.87Å; E439-K441 VanDerWaalsContact O-N 3.14Å
442T91.9Very high93Very high92 Ų9254.6 Ų54.656%0.56429%0.287SS*.Hα-helixtrans-114.5-12-169.864.40000113.5V438 E439 R444V438-T442 HydrophobicContact CG1-CG2 4.07Å; V438-T442 WeakPolarHBondContact O-CB 3.32Å; V438-T442 PolarHBondContact O-N 3.42Å; V438-T442 PolarHBondContact O-OG1 3.01Å; E439-T442 PolarHBondContact O-N 2.96Å; T442-R444 PolarHBondContact O-N 2.87Å; T442-R444 PolarHBondContact OG1-N 2.86Å; T442-R444 PolarHBondContact OG1-O 3.46Å
443G92Very high92.6Very high71 Ų7153 Ų5373%0.73228%0.277SS*.SBendtrans72.1-1.1-173.300000114.4E439E439-G443 WeakPolarHBondContact O-CA 3.49Å; E439-G443 PolarHBondContact O-N 3.17Å
444R91.5Very high92.5Very high181 Ų18149.3 Ų49.368%0.68326%0.26SS*.SBendtrans-122.9124.5179.9-178.8179.3177.5176.10.7109.9T442 P446T442-R444 PolarHBondContact O-N 2.87Å; T442-R444 PolarHBondContact OG1-N 2.86Å; T442-R444 PolarHBondContact OG1-O 3.46Å; R444-P446 VanDerWaalsContact O-CD 3.27Å; R444-P446 WeakPolarHBondContact O-CD 3.36Å
445R90.7Very high92.4Very high109 Ų10949.2 Ų49.241%0.41126%0.26SS..  trans-76.3115.9173.3-164.9172.4171.7171-0.8111E435 E439E435-R445 HydrophobicContact CB-CG 4.08Å; E435-R445 IonicContact OE2-CZ 3.43Å; E435-R445 IonicContact OE2-NE 3.05Å; E435-R445 PolarHBondContact OE2-NE 2.98Å; E435-R445 IonicContact OE2-NH2 2.91Å; E435-R445 PolarHBondContact OE2-NH2 3Å; E439-R445 HydrophobicContact CB-CB 4.23Å; E439-R445 HydrophobicContact CB-CG 4.47Å; E439-R445 HydrophobicContact CG-CB 4.15Å; E439-R445 WeakPolarHBondContact OE2-CD 3.47Å
446P92.9Very high92.2Very high11 Ų1152.5 Ų52.57%0.07128%0.275CS..  trans-74.7165.417432.5-34.3000111R430 E435 V438 R444 F448 E524R430-P446 PolarHBondContact NH2-O 2.88Å; E435-P446 HydrophobicContact CB-CG 4.44Å; E435-P446 HydrophobicContact CG-CG 4.33Å; E435-P446 WeakPolarHBondContact CG-O 3.36Å; V438-P446 HydrophobicContact CB-CG 4.03Å; V438-P446 HydrophobicContact CG1-CG 3.92Å; R444-P446 VanDerWaalsContact O-CD 3.27Å; R444-P446 WeakPolarHBondContact O-CD 3.36Å; P446-F448 HydrophobicContact CB-CD1 3.9Å; P446-F448 HydrophobicContact CB-CD2 4.38Å; P446-F448 HydrophobicContact CB-CE1 3.5Å; P446-F448 VanDerWaalsContact CB-CE1 3.5Å; P446-F448 HydrophobicContact CB-CE2 4.03Å; P446-F448 HydrophobicContact CB-CG 4.33Å; P446-F448 HydrophobicContact CB-CZ 3.57Å; P446-F448 HydrophobicContact CG-CD1 4.2Å; P446-F448 HydrophobicContact CG-CD2 3.77Å; P446-F448 HydrophobicContact CG-CE1 3.83Å; P446-F448 HydrophobicContact CG-CE2 3.35Å; P446-F448 HydrophobicContact CG-CG 4.17Å; P446-F448 HydrophobicContact CG-CZ 3.39Å; P446-E524 VanDerWaalsContact CA-OE1 3.28Å; P446-E524 WeakPolarHBondContact CA-OE1 3.27Å; P446-E524 VanDerWaalsContact CB-OE1 3.22Å; P446-E524 WeakPolarHBondContact CB-OE1 3.23Å
447C92.6Very high92Very high14 Ų1449.8 Ų49.810%0.09526%0.256CS..  trans-102.398.6169.6-172.20000108.7N522 E524C447-N522 PolarHBondContact O-ND2 3.44Å; C447-E524 PolarHBondContact N-OE1 2.93Å
448F94.9Very high92Very high4 Ų447.7 Ų47.72%0.01825%0.247CC..  trans-106.3109.8-179.1-68.3-24.6000110.4R430 L431 V434 E435 V438 P446 E524 L525 Y528R430-F448 VanDerWaalsContact CA-O 3.3Å; R430-F448 WeakPolarHBondContact CA-O 3.4Å; L431-F448 HydrophobicContact CB-CB 4.34Å; L431-F448 PolarHBondContact N-O 3.29Å; V434-F448 HydrophobicContact CB-CD2 4.33Å; V434-F448 HydrophobicContact CG1-CD2 3.97Å; V434-F448 HydrophobicContact CG1-CE2 3.97Å; E435-F448 HydrophobicContact CG-CB 3.92Å; E435-F448 HydrophobicContact CG-CD2 3.91Å; E435-F448 HydrophobicContact CG-CG 4.16Å; E435-F448 PolarHBondContact OE1-N 3.5Å; V438-F448 HydrophobicContact CB-CE2 4.44Å; V438-F448 HydrophobicContact CG2-CE2 3.91Å; V438-F448 HydrophobicContact CG2-CZ 4.42Å; P446-F448 HydrophobicContact CB-CD1 3.9Å; P446-F448 HydrophobicContact CB-CD2 4.38Å; P446-F448 HydrophobicContact CB-CE1 3.5Å; P446-F448 VanDerWaalsContact CB-CE1 3.5Å; P446-F448 HydrophobicContact CB-CE2 4.03Å; P446-F448 HydrophobicContact CB-CG 4.33Å; P446-F448 HydrophobicContact CB-CZ 3.57Å; P446-F448 HydrophobicContact CG-CD1 4.2Å; P446-F448 HydrophobicContact CG-CD2 3.77Å; P446-F448 HydrophobicContact CG-CE1 3.83Å; P446-F448 HydrophobicContact CG-CE2 3.35Å; P446-F448 HydrophobicContact CG-CG 4.17Å; P446-F448 HydrophobicContact CG-CZ 3.39Å; F448-E524 HydrophobicContact CD1-CG 4.44Å; F448-E524 HydrophobicContact CE1-CG 4.18Å; F448-L525 HydrophobicContact CB-CB 4.37Å; F448-L525 HydrophobicContact CB-CD1 4.16Å; F448-L525 HydrophobicContact CB-CD2 4.31Å; F448-L525 HydrophobicContact CD1-CB 3.83Å; F448-L525 HydrophobicContact CD1-CD1 3.93Å; F448-L525 HydrophobicContact CD1-CG 4.44Å; F448-L525 HydrophobicContact CD2-CD1 4.1Å; F448-L525 HydrophobicContact CE1-CB 4.47Å; F448-L525 HydrophobicContact CE1-CD1 4.3Å; F448-L525 HydrophobicContact CE2-CD1 4.44Å; F448-L525 HydrophobicContact CG-CB 4.3Å; F448-L525 HydrophobicContact CG-CD1 3.82Å; F448-Y528 HydrophobicContact CE1-CG 4.25Å; F448-Y528 HydrophobicContact CE2-CD1 4.19Å; F448-Y528 HydrophobicContact CE2-CD2 4.45Å; F448-Y528 HydrophobicContact CE2-CE1 4.4Å; F448-Y528 HydrophobicContact CE2-CG 4.21Å; F448-Y528 HydrophobicContact CZ-CD1 4.01Å; F448-Y528 AromaticContact CZ-CD2 3.83Å; F448-Y528 HydrophobicContact CZ-CD2 3.83Å; F448-Y528 HydrophobicContact CZ-CE2 4.42Å; F448-Y528 AromaticContact CZ-CG 3.6Å; F448-Y528 HydrophobicContact CZ-CG 3.6Å
449I93.6Very high92.1Very high3 Ų349.3 Ų49.32%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-115.8124.7-178.3-55.4165.4000108.1V429 R430 M521 N522 Y713 L715V429-I449 WeakPolarHBondContact O-CA 3.45Å; R430-I449 HydrophobicContact CG-CG1 4.36Å; I449-M521 WeakPolarHBondContact O-CA 3.34Å; I449-N522 HydrophobicContact CB-CB 4.32Å; I449-N522 PolarHBondContact N-OD1 2.78Å; I449-N522 PolarHBondContact O-N 2.72Å; I449-N522 PolarHBondContact O-OD1 3.46Å; I449-Y713 HydrophobicContact CD1-CD1 3.76Å; I449-Y713 HydrophobicContact CD1-CG 4.08Å; I449-Y713 HydrophobicContact CG1-CD1 4.28Å; I449-Y713 HydrophobicContact CG1-CG 4.28Å; I449-Y713 HydrophobicContact CG2-CG 4.33Å; I449-L715 HydrophobicContact CB-CD2 4.33Å; I449-L715 HydrophobicContact CG2-CD1 4.21Å; I449-L715 HydrophobicContact CG2-CD2 3.78Å; I449-L715 HydrophobicContact CG2-CG 3.91Å
450G93Very high92Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-124.9156.1177.900000111.8G428 V429 R452 M520G428-G450 CarbonylContact C-O 3.51Å; G428-G450 VanDerWaalsContact CA-O 3.26Å; G428-G450 WeakPolarHBondContact CA-O 3.28Å; V429-G450 PolarHBondContact N-O 3.19Å; V429-G450 PolarHBondContact O-N 3.14Å; G450-R452 PolarHBondContact O-N 3.2Å; G450-M520 CarbonylContact C-O 3.07Å
451H91.5Very high92Very high1 Ų145.2 Ų45.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-59.2116.1177.9-176.9-81.2000111.4D423 G453 M454 V455 F497 G519 M520 L715D423-H451 VanDerWaalsContact C-NE2 3.31Å; D423-H451 PolarHBondContact O-CE1 3.2Å; D423-H451 PolarHBondContact O-NE2 3.48Å; H451-G453 PolarHBondContact ND1-N 3.09Å; H451-G453 PolarHBondContact O-N 2.87Å; H451-M454 HydrophobicContact CB-CB 4.32Å; H451-M454 HydrophobicContact CB-CE 4.43Å; H451-M454 HydrophobicContact CB-CG 4.35Å; H451-M454 HydrophobicContact CB-SD 4.16Å; H451-M454 PolarHBondContact ND1-N 3.23Å; H451-M454 PolarHBondContact O-N 3.13Å; H451-V455 WeakPolarHBondContact O-CG2 3.23Å; H451-V455 PolarHBondContact O-N 3.22Å; H451-F497 HydrophobicContact CB-CE2 4.27Å; H451-F497 HydrophobicContact CB-CZ 4.39Å; H451-G519 PolarHBondContact CD2-O 2.95Å; H451-G519 VanDerWaalsContact CD2-O 3.3Å; H451-M520 VanDerWaalsContact CB-O 3.24Å; H451-M520 WeakPolarHBondContact CB-O 3.42Å; H451-M520 PolarHBondContact N-O 2.99Å; H451-L715 HydrophobicContact CB-CD1 4.31Å
452R88.4Confident92.2Very high86 Ų8641 Ų4133%0.32520%0.203SC..Hα-helixtrans-51.8-52.5-170.6-179.4174.6179177-2.2113.4D427 V429 G450 M454 V455 E456D427-R452 WeakPolarHBondContact O-CB 3.4Å; D427-R452 PolarHBondContact O-N 3.33Å; V429-R452 HydrophobicContact CB-CB 4.29Å; V429-R452 HydrophobicContact CB-CG 4.4Å; V429-R452 HydrophobicContact CG1-CB 4.24Å; V429-R452 HydrophobicContact CG1-CG 4.46Å; G450-R452 PolarHBondContact O-N 3.2Å; R452-M454 PolarHBondContact O-N 3.05Å; R452-V455 PolarHBondContact O-N 3.46Å; R452-E456 HydrophobicContact CG-CG 4.13Å; R452-E456 WeakPolarHBondContact O-CB 3.47Å; R452-E456 VanDerWaalsContact O-CG 3.32Å; R452-E456 WeakPolarHBondContact O-CG 3.32Å; R452-E456 PolarHBondContact O-N 3.42Å
453G85.7Confident92.4Very high15 Ų1540.7 Ų40.716%0.15520%0.198CC..Hα-helixtrans-60.3-30-178.500000114.1H451 R457H451-G453 PolarHBondContact ND1-N 3.09Å; H451-G453 PolarHBondContact O-N 2.87Å; G453-R457 VanDerWaalsContact O-CG 3.3Å; G453-R457 WeakPolarHBondContact O-CG 3.33Å; G453-R457 PolarHBondContact O-N 3.14Å
454M90.9Very high92.4Very high0 Ų038.6 Ų38.60%017%0.172CC..Hα-helixtrans-83.9-40.6178.9-64.1176.2-154.400110.7L424 H451 R452 R457 S458 L490 F497 P517 M520L424-M454 HydrophobicContact CD2-CE 3.75Å; H451-M454 HydrophobicContact CB-CB 4.32Å; H451-M454 HydrophobicContact CB-CE 4.43Å; H451-M454 HydrophobicContact CB-CG 4.35Å; H451-M454 HydrophobicContact CB-SD 4.16Å; H451-M454 PolarHBondContact ND1-N 3.23Å; H451-M454 PolarHBondContact O-N 3.13Å; R452-M454 PolarHBondContact O-N 3.05Å; M454-R457 PolarHBondContact O-N 3.11Å; M454-S458 WeakPolarHBondContact O-CB 3.23Å; M454-S458 PolarHBondContact O-N 2.99Å; M454-S458 PolarHBondContact O-OG 2.75Å; M454-L490 HydrophobicContact CE-CD1 3.64Å; M454-L490 HydrophobicContact CG-CD1 3.71Å; M454-L490 HydrophobicContact SD-CD1 4.09Å; M454-F497 HydrophobicContact CB-CD2 3.6Å; M454-F497 HydrophobicContact CB-CE2 3.59Å; M454-F497 HydrophobicContact CG-CE2 4.49Å; M454-F497 HydrophobicContact SD-CE2 4.15Å; M454-P517 HydrophobicContact CE-CG 3.6Å; M454-P517 HydrophobicContact SD-CG 4.32Å; M454-M520 HydrophobicContact CE-CG 4.26Å; M454-M520 HydrophobicContact SD-CG 3.8Å
455V92.9Very high92.6Very high0 Ų030.1 Ų30.10%014%0.14CC..Hα-helixtrans-60.6-48.3176173.90000110.9V429 L431 H451 R452 R457 S458 R459 F497V429-V455 HydrophobicContact CG1-CB 3.79Å; V429-V455 HydrophobicContact CG1-CG1 3.75Å; V429-V455 HydrophobicContact CG1-CG2 4.02Å; L431-V455 HydrophobicContact CD1-CG1 4.49Å; L431-V455 HydrophobicContact CD1-CG2 3.89Å; L431-V455 HydrophobicContact CG-CG1 4.33Å; L431-V455 HydrophobicContact CG-CG2 4.43Å; H451-V455 WeakPolarHBondContact O-CG2 3.23Å; H451-V455 PolarHBondContact O-N 3.22Å; R452-V455 PolarHBondContact O-N 3.46Å; V455-R457 PolarHBondContact O-N 3.25Å; V455-S458 WeakPolarHBondContact O-CB 3.49Å; V455-S458 PolarHBondContact O-N 3.31Å; V455-S458 VanDerWaalsContact O-N 3.12Å; V455-R459 HydrophobicContact CG1-CG 4.43Å; V455-R459 WeakPolarHBondContact O-CG 3.49Å; V455-R459 PolarHBondContact O-N 3.13Å; V455-F497 HydrophobicContact CG2-CD1 3.77Å; V455-F497 HydrophobicContact CG2-CD2 4.12Å; V455-F497 HydrophobicContact CG2-CE1 3.79Å; V455-F497 HydrophobicContact CG2-CE2 4.15Å; V455-F497 HydrophobicContact CG2-CG 3.93Å; V455-F497 HydrophobicContact CG2-CZ 3.98Å
456E91Very high92.7Very high69 Ų6927.8 Ų27.832%0.32214%0.135SC..Hα-helixtrans-62.4-41.1179.5-67.2-51.9124.800112.2R452 S458 R459 H460R452-E456 HydrophobicContact CG-CG 4.13Å; R452-E456 WeakPolarHBondContact O-CB 3.47Å; R452-E456 VanDerWaalsContact O-CG 3.32Å; R452-E456 WeakPolarHBondContact O-CG 3.32Å; R452-E456 PolarHBondContact O-N 3.42Å; E456-S458 VanDerWaalsContact C-N 3.33Å; E456-S458 PolarHBondContact O-N 3.36Å; E456-R459 PolarHBondContact O-N 3.09Å; E456-R459 IonicContact OE1-CZ 2.79Å; E456-R459 IonicContact OE1-NH1 2.72Å; E456-R459 PolarHBondContact OE1-NH1 3.07Å; E456-H460 WeakPolarHBondContact O-CB 3.45Å; E456-H460 PolarHBondContact O-N 3.46Å
457R91.1Very high92.8Very high18 Ų1832.8 Ų32.87%0.06817%0.165CC..Hα-helixtrans-64.7-37.8173.7-73.4-173.9-177146.615.4112.3V391 D423 G453 M454 V455 L461 I494V391-R457 VanDerWaalsContact O-CZ 3.26Å; V391-R457 PolarHBondContact O-NE 3.47Å; V391-R457 PolarHBondContact O-NH2 3.36Å; D423-R457 IonicContact OD1-NH2 3.87Å; D423-R457 PolarHBondContact OD1-NH2 3.04Å; D423-R457 IonicContact OD2-CZ 3.15Å; D423-R457 VanDerWaalsContact OD2-CZ 3.29Å; D423-R457 IonicContact OD2-NH1 3.74Å; D423-R457 PolarHBondContact OD2-NH1 3.22Å; D423-R457 IonicContact OD2-NH2 3.34Å; D423-R457 PolarHBondContact OD2-NH2 3.34Å; G453-R457 VanDerWaalsContact O-CG 3.3Å; G453-R457 WeakPolarHBondContact O-CG 3.33Å; G453-R457 PolarHBondContact O-N 3.14Å; M454-R457 PolarHBondContact O-N 3.11Å; V455-R457 PolarHBondContact O-N 3.25Å; R457-L461 VanDerWaalsContact O-CB 3.25Å; R457-L461 WeakPolarHBondContact O-CB 3.21Å; R457-L461 PolarHBondContact O-N 3.29Å; R457-I494 HydrophobicContact CB-CD1 3.98Å; R457-I494 HydrophobicContact CB-CG1 4.12Å; R457-I494 HydrophobicContact CB-CG2 4.45Å
458S94.6Very high92.8Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-68-39.7176.3-63.90000112.4M454 V455 E456 L461 Y462 I494 F497M454-S458 WeakPolarHBondContact O-CB 3.23Å; M454-S458 PolarHBondContact O-N 2.99Å; M454-S458 PolarHBondContact O-OG 2.75Å; V455-S458 WeakPolarHBondContact O-CB 3.49Å; V455-S458 PolarHBondContact O-N 3.31Å; V455-S458 VanDerWaalsContact O-N 3.12Å; E456-S458 VanDerWaalsContact C-N 3.33Å; E456-S458 PolarHBondContact O-N 3.36Å; S458-L461 PolarHBondContact O-N 3.09Å; S458-Y462 WeakPolarHBondContact O-CB 3.23Å; S458-Y462 PolarHBondContact O-N 2.83Å; S458-I494 WeakPolarHBondContact OG-CA 3.1Å; S458-I494 VanDerWaalsContact OG-CG2 3.31Å; S458-I494 WeakPolarHBondContact OG-CG2 3.4Å; S458-I494 PolarHBondContact OG-O 3.43Å; S458-F497 WeakPolarHBondContact OG-CB 3.43Å
459R94.6Very high92.7Very high49 Ų4941.2 Ų41.219%0.18520%0.204CC..Hα-helixtrans-62.6-51.1173.8-74.2173.7174.2154-4.5111.2R430 E433 V455 E456 L461 Y462 D463 I501R430-R459 PolarHBondContact O-NH2 2.76Å; E433-R459 VanDerWaalsContact CD-NH2 3.32Å; E433-R459 IonicContact OE1-CZ 3.4Å; E433-R459 VanDerWaalsContact OE1-CZ 3.31Å; E433-R459 IonicContact OE1-NE 3.16Å; E433-R459 PolarHBondContact OE1-NE 3.03Å; E433-R459 IonicContact OE1-NH2 2.98Å; E433-R459 PolarHBondContact OE1-NH2 2.99Å; E433-R459 IonicContact OE2-CZ 2.73Å; E433-R459 IonicContact OE2-NE 3.34Å; E433-R459 IonicContact OE2-NH2 2.83Å; E433-R459 PolarHBondContact OE2-NH2 3Å; V455-R459 HydrophobicContact CG1-CG 4.43Å; V455-R459 WeakPolarHBondContact O-CG 3.49Å; V455-R459 PolarHBondContact O-N 3.13Å; E456-R459 PolarHBondContact O-N 3.09Å; E456-R459 IonicContact OE1-CZ 2.79Å; E456-R459 IonicContact OE1-NH1 2.72Å; E456-R459 PolarHBondContact OE1-NH1 3.07Å; R459-L461 VanDerWaalsContact C-N 3.32Å; R459-L461 PolarHBondContact O-N 3.46Å; R459-Y462 WeakPolarHBondContact O-CA 3.35Å; R459-Y462 WeakPolarHBondContact O-CB 3.35Å; R459-Y462 PolarHBondContact O-N 3.18Å; R459-Y462 VanDerWaalsContact O-N 3.09Å; R459-D463 PolarHBondContact O-N 3.18Å; R459-I501 HydrophobicContact CG-CD1 4.08Å
460H93.1Very high92.6Very high76 Ų7641.2 Ų41.235%0.35220%0.204SC..Hα-helixtrans-58.4-43.6176.1179.1-82.1000112.1E456 Y462 D463 C464E456-H460 WeakPolarHBondContact O-CB 3.45Å; E456-H460 PolarHBondContact O-N 3.46Å; H460-Y462 VanDerWaalsContact C-N 3.35Å; H460-D463 PolarHBondContact O-N 2.71Å; H460-C464 PolarHBondContact CE1-SG 2.91Å; H460-C464 PolarHBondContact O-N 2.95Å; H460-C464 PolarHBondContact O-SG 2.81Å; H460-C464 VanDerWaalsContact O-SG 3.35Å
461L94.3Very high92.7Very high10 Ų1041.5 Ų41.55%0.05221%0.206CC..Hα-helixtrans-63.8-40.3176177.955.5000111.9Y396 I411 R457 S458 R459 D463 C464 L465 I494 L498Y396-L461 HydrophobicContact CD1-CD1 3.53Å; Y396-L461 HydrophobicContact CD2-CD1 3.8Å; Y396-L461 HydrophobicContact CE1-CD1 3.4Å; Y396-L461 HydrophobicContact CE2-CD1 3.67Å; Y396-L461 HydrophobicContact CG-CD1 3.73Å; Y396-L461 VanDerWaalsContact CZ-CD1 3.46Å; I411-L461 HydrophobicContact CD1-CD2 3.47Å; I411-L461 VanDerWaalsContact CD1-CD2 3.47Å; I411-L461 HydrophobicContact CG1-CD2 3.93Å; R457-L461 VanDerWaalsContact O-CB 3.25Å; R457-L461 WeakPolarHBondContact O-CB 3.21Å; R457-L461 PolarHBondContact O-N 3.29Å; S458-L461 PolarHBondContact O-N 3.09Å; R459-L461 VanDerWaalsContact C-N 3.32Å; R459-L461 PolarHBondContact O-N 3.46Å; L461-D463 VanDerWaalsContact C-N 3.35Å; L461-C464 PolarHBondContact O-N 2.82Å; L461-L465 HydrophobicContact CD1-CD1 4.18Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.03Å; L461-L465 HydrophobicContact CG-CG 4.46Å; L461-L465 WeakPolarHBondContact O-CB 3.2Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 2.9Å; L461-I494 HydrophobicContact CD2-CG2 4.3Å; L461-L498 HydrophobicContact CD2-CD2 3.73Å; L461-L498 HydrophobicContact CG-CD2 4.08Å
462Y95.9Very high92.9Very high51 Ų5145.6 Ų45.620%0.223%0.225CC..Hα-helixtrans-58.4-46173.6177.5-98.7000111.5S458 R459 H460 C464 L465 L466 L498 I501 L502S458-Y462 WeakPolarHBondContact O-CB 3.23Å; S458-Y462 PolarHBondContact O-N 2.83Å; R459-Y462 WeakPolarHBondContact O-CA 3.35Å; R459-Y462 WeakPolarHBondContact O-CB 3.35Å; R459-Y462 PolarHBondContact O-N 3.18Å; R459-Y462 VanDerWaalsContact O-N 3.09Å; H460-Y462 VanDerWaalsContact C-N 3.35Å; Y462-C464 PolarHBondContact O-N 3.38Å; Y462-L465 PolarHBondContact O-N 3.13Å; Y462-L465 VanDerWaalsContact O-N 3.17Å; Y462-L466 HydrophobicContact CD1-CD1 3.86Å; Y462-L466 HydrophobicContact CD1-CG 4.39Å; Y462-L466 HydrophobicContact CE1-CD1 3.28Å; Y462-L466 HydrophobicContact CE1-CG 4.07Å; Y462-L466 HydrophobicContact CE2-CD1 4.48Å; Y462-L466 WeakPolarHBondContact O-CG 3.26Å; Y462-L466 PolarHBondContact O-N 3.09Å; Y462-L498 HydrophobicContact CD2-CD1 4.28Å; Y462-I501 HydrophobicContact CD1-CG2 4.24Å; Y462-I501 HydrophobicContact CD2-CG2 3.7Å; Y462-I501 HydrophobicContact CE1-CG2 4.35Å; Y462-I501 HydrophobicContact CE2-CG2 3.84Å; Y462-I501 HydrophobicContact CG-CG2 3.91Å; Y462-L502 HydrophobicContact CD2-CD2 3.89Å; Y462-L502 HydrophobicContact CD2-CG 4.27Å; Y462-L502 HydrophobicContact CE2-CD2 3.79Å; Y462-L502 HydrophobicContact CE2-CG 4.45Å
463D94.9Very high93.2Very high87 Ų8744.2 Ų44.247%0.46523%0.226SC..Hα-helixtrans-63.8-40.9177.6-63.9-25.8000112.4R459 H460 L461 L465 L466 T467R459-D463 PolarHBondContact O-N 3.18Å; H460-D463 PolarHBondContact O-N 2.71Å; L461-D463 VanDerWaalsContact C-N 3.35Å; D463-L465 PolarHBondContact O-N 2.76Å; D463-L466 PolarHBondContact O-N 2.94Å; D463-T467 VanDerWaalsContact O-CB 3.3Å; D463-T467 WeakPolarHBondContact O-CB 3.41Å; D463-T467 PolarHBondContact O-N 3.2Å; D463-T467 PolarHBondContact O-OG1 2.79Å
464C92.9Very high93.6Very high27 Ų2743.5 Ų43.518%0.18222%0.219CC..Hα-helixtrans-60-44.7172.3-70.60000111.6H460 L461 Y462 L466 T467 D468H460-C464 PolarHBondContact CE1-SG 2.91Å; H460-C464 PolarHBondContact O-N 2.95Å; H460-C464 PolarHBondContact O-SG 2.81Å; H460-C464 VanDerWaalsContact O-SG 3.35Å; L461-C464 PolarHBondContact O-N 2.82Å; Y462-C464 PolarHBondContact O-N 3.38Å; C464-L466 VanDerWaalsContact C-N 3.32Å; C464-L466 PolarHBondContact O-N 3.5Å; C464-T467 PolarHBondContact O-N 3.38Å; C464-D468 VanDerWaalsContact O-CB 3.26Å; C464-D468 WeakPolarHBondContact O-CB 3.15Å; C464-D468 PolarHBondContact O-N 2.88Å
465L94.8Very high93.8Very high2 Ų245.7 Ų45.71%0.0123%0.228CC..Hα-helixtrans-65.2-35.5-179.3-70.6166.9000112.4Y396 V398 I409 L461 Y462 D463 K469 S470 I471 L498Y396-L465 HydrophobicContact CE2-CD2 3.92Å; V398-L465 HydrophobicContact CG2-CD2 3.54Å; I409-L465 HydrophobicContact CD1-CD1 3.95Å; L461-L465 HydrophobicContact CD1-CD1 4.18Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.03Å; L461-L465 HydrophobicContact CG-CG 4.46Å; L461-L465 WeakPolarHBondContact O-CB 3.2Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 2.9Å; Y462-L465 PolarHBondContact O-N 3.13Å; Y462-L465 VanDerWaalsContact O-N 3.17Å; D463-L465 PolarHBondContact O-N 2.76Å; L465-K469 PolarHBondContact O-N 3.43Å; L465-S470 PolarHBondContact O-N 3.04Å; L465-I471 HydrophobicContact CB-CD1 4.17Å; L465-I471 HydrophobicContact CB-CG1 4.41Å; L465-I471 HydrophobicContact CD1-CD1 4.28Å; L465-L498 HydrophobicContact CD1-CD1 4.38Å; L465-L498 HydrophobicContact CD1-CD2 4.02Å
466L93.8Very high94Very high61 Ų6150.1 Ų50.132%0.31926%0.259SS..Hα-helixtrans-70.7-49.4173.5-71.6-177.4000111.9Y462 D463 C464 D468 K469Y462-L466 HydrophobicContact CD1-CD1 3.86Å; Y462-L466 HydrophobicContact CD1-CG 4.39Å; Y462-L466 HydrophobicContact CE1-CD1 3.28Å; Y462-L466 HydrophobicContact CE1-CG 4.07Å; Y462-L466 HydrophobicContact CE2-CD1 4.48Å; Y462-L466 WeakPolarHBondContact O-CG 3.26Å; Y462-L466 PolarHBondContact O-N 3.09Å; D463-L466 PolarHBondContact O-N 2.94Å; C464-L466 VanDerWaalsContact C-N 3.32Å; C464-L466 PolarHBondContact O-N 3.5Å; L466-D468 VanDerWaalsContact C-N 3.34Å; L466-D468 PolarHBondContact O-N 3.22Å; L466-K469 PolarHBondContact O-N 2.93Å
467T94.4Very high94.1Very high115 Ų11551.6 Ų51.671%0.70627%0.265SS*.Hα-helixtrans-60.5-45-178.7-58.20000111.3D463 C464 K469D463-T467 VanDerWaalsContact O-CB 3.3Å; D463-T467 WeakPolarHBondContact O-CB 3.41Å; D463-T467 PolarHBondContact O-N 3.2Å; D463-T467 PolarHBondContact O-OG1 2.79Å; C464-T467 PolarHBondContact O-N 3.38Å; T467-K469 PolarHBondContact O-N 2.94Å
468D91.8Very high94.3Very high69 Ų6954.2 Ų54.237%0.36928%0.276SS..THydrogen-bonded Turntrans-75.6-7.4177.1-72.1-23.2000113.1K384 C464 L466 S470K384-D468 VanDerWaalsContact CE-OD2 3.23Å; K384-D468 WeakPolarHBondContact CE-OD2 3.36Å; K384-D468 IonicContact NZ-OD1 3.29Å; K384-D468 IonicContact NZ-OD2 2.76Å; K384-D468 PolarHBondContact NZ-OD2 3.38Å; C464-D468 VanDerWaalsContact O-CB 3.26Å; C464-D468 WeakPolarHBondContact O-CB 3.15Å; C464-D468 PolarHBondContact O-N 2.88Å; L466-D468 VanDerWaalsContact C-N 3.34Å; L466-D468 PolarHBondContact O-N 3.22Å; D468-S470 WeakPolarHBondContact CB-OG 3.41Å; D468-S470 PolarHBondContact O-N 2.84Å
469K93.4Very high94.3Very high126 Ų12658.5 Ų58.555%0.54830%0.304SS..THydrogen-bonded Turntrans47.934.8-171.1-60.1-176.3179.2-176.60112.6L465 L466 T467 I471 E472 T473L465-K469 PolarHBondContact O-N 3.43Å; L466-K469 PolarHBondContact O-N 2.93Å; T467-K469 PolarHBondContact O-N 2.94Å; K469-I471 PolarHBondContact O-N 3.33Å; K469-E472 HydrophobicContact CB-CB 4.36Å; K469-E472 PolarHBondContact O-N 3.38Å; K469-T473 WeakPolarHBondContact O-CB 3.29Å; K469-T473 PolarHBondContact O-N 3.08Å; K469-T473 PolarHBondContact O-OG1 2.99Å
470S92.6Very high94.2Very high4 Ų464.8 Ų64.83%0.02834%0.335CS..Hα-helixtrans-65.5-41.3-172.4-70.50000111.4L465 D468 A474L465-S470 PolarHBondContact O-N 3.04Å; D468-S470 WeakPolarHBondContact CB-OG 3.41Å; D468-S470 PolarHBondContact O-N 2.84Å; S470-A474 WeakPolarHBondContact O-CB 3.28Å; S470-A474 PolarHBondContact O-N 2.95Å
471I94.6Very high94.3Very high6 Ų662.9 Ų62.93%0.03133%0.325CS..Hα-helixtrans-68.6-44.6178.7-63.5174.3000110.4I409 L465 K469 T473 A474 F475 L502 Y506I409-I471 HydrophobicContact CD1-CD1 4.02Å; I409-I471 HydrophobicContact CD1-CG1 4.13Å; L465-I471 HydrophobicContact CB-CD1 4.17Å; L465-I471 HydrophobicContact CB-CG1 4.41Å; L465-I471 HydrophobicContact CD1-CD1 4.28Å; K469-I471 PolarHBondContact O-N 3.33Å; I471-T473 VanDerWaalsContact C-N 3.33Å; I471-T473 PolarHBondContact O-N 2.72Å; I471-A474 WeakPolarHBondContact O-CB 3.47Å; I471-A474 PolarHBondContact O-N 2.86Å; I471-A474 VanDerWaalsContact O-N 3.14Å; I471-F475 HydrophobicContact CG2-CD2 3.54Å; I471-F475 HydrophobicContact CG2-CE2 3.4Å; I471-F475 VanDerWaalsContact CG2-CE2 3.4Å; I471-F475 VanDerWaalsContact O-CD2 3.26Å; I471-F475 WeakPolarHBondContact O-CD2 3.29Å; I471-F475 PolarHBondContact O-N 3.04Å; I471-L502 HydrophobicContact CD1-CD1 4.49Å; I471-L502 HydrophobicContact CD1-CD2 3.69Å; I471-Y506 HydrophobicContact CG2-CE1 4.38Å; I471-Y506 HydrophobicContact CG2-CE2 4.04Å
472E94.3Very high94.3Very high87 Ų8767.9 Ų67.941%0.40735%0.346SS..Hα-helixtrans-62.9-39.9178.4-65.5175.3-175.500111.7K469 A474 F475 S476 K505K469-E472 HydrophobicContact CB-CB 4.36Å; K469-E472 PolarHBondContact O-N 3.38Å; E472-A474 VanDerWaalsContact C-N 3.32Å; E472-A474 PolarHBondContact O-N 2.95Å; E472-F475 PolarHBondContact O-N 3.22Å; E472-S476 WeakPolarHBondContact O-CB 3.23Å; E472-S476 PolarHBondContact O-N 2.89Å; E472-S476 PolarHBondContact O-OG 2.97Å; E472-K505 IonicContact OE1-NZ 3.77Å
473T94.9Very high94.3Very high57 Ų5765.6 Ų65.635%0.3534%0.338SS..Hα-helixtrans-65.8-34.2174.6-56.50000112.1I383 K469 I471 S476 K477I383-T473 HydrophobicContact CG2-CG2 3.96Å; K469-T473 WeakPolarHBondContact O-CB 3.29Å; K469-T473 PolarHBondContact O-N 3.08Å; K469-T473 PolarHBondContact O-OG1 2.99Å; I471-T473 VanDerWaalsContact C-N 3.33Å; I471-T473 PolarHBondContact O-N 2.72Å; T473-S476 WeakPolarHBondContact CA-OG 3.45Å; T473-S476 PolarHBondContact O-OG 2.93Å; T473-K477 PolarHBondContact O-N 2.8Å
474A94.6Very high94.5Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-70.2-44.117500000111.5I383 V400 I407 S470 I471 E472 K477 K478I383-A474 HydrophobicContact CG1-CB 4.02Å; V400-A474 HydrophobicContact CG2-CB 4.19Å; I407-A474 HydrophobicContact CB-CB 4.38Å; I407-A474 HydrophobicContact CD1-CB 3.77Å; I407-A474 HydrophobicContact CG1-CB 3.95Å; I407-A474 HydrophobicContact CG2-CB 3.52Å; S470-A474 WeakPolarHBondContact O-CB 3.28Å; S470-A474 PolarHBondContact O-N 2.95Å; I471-A474 WeakPolarHBondContact O-CB 3.47Å; I471-A474 PolarHBondContact O-N 2.86Å; I471-A474 VanDerWaalsContact O-N 3.14Å; E472-A474 VanDerWaalsContact C-N 3.32Å; E472-A474 PolarHBondContact O-N 2.95Å; A474-K477 PolarHBondContact O-N 3.04Å; A474-K478 PolarHBondContact O-N 2.97Å
475F96.2Very high94.7Very high46 Ų4660.2 Ų60.220%0.20231%0.307CS..Hα-helixtrans-67.4-34176.2-80.8-65.8000112.8I407 I471 E472 K477 K478 P479 Y481 L483 Y506I407-F475 HydrophobicContact CD1-CB 4.34Å; I407-F475 HydrophobicContact CD1-CD1 3.44Å; I407-F475 VanDerWaalsContact CD1-CD1 3.44Å; I407-F475 HydrophobicContact CD1-CD2 4.02Å; I407-F475 HydrophobicContact CD1-CE1 3.64Å; I407-F475 HydrophobicContact CD1-CE2 4.19Å; I407-F475 HydrophobicContact CD1-CG 3.65Å; I407-F475 HydrophobicContact CD1-CZ 4.01Å; I471-F475 HydrophobicContact CG2-CD2 3.54Å; I471-F475 HydrophobicContact CG2-CE2 3.4Å; I471-F475 VanDerWaalsContact CG2-CE2 3.4Å; I471-F475 VanDerWaalsContact O-CD2 3.26Å; I471-F475 WeakPolarHBondContact O-CD2 3.29Å; I471-F475 PolarHBondContact O-N 3.04Å; E472-F475 PolarHBondContact O-N 3.22Å; F475-K477 VanDerWaalsContact C-N 3.29Å; F475-K477 PolarHBondContact O-N 3.01Å; F475-K478 CarbonylContact O-C 3.3Å; F475-K478 PolarHBondContact O-N 3.38Å; F475-P479 VanDerWaalsContact O-CA 3.24Å; F475-P479 WeakPolarHBondContact O-CA 3.33Å; F475-P479 WeakPolarHBondContact O-CD 3.29Å; F475-P479 WeakPolarHBondContact O-CG 3.18Å; F475-Y481 VanDerWaalsContact CE1-O 3.29Å; F475-Y481 WeakPolarHBondContact CE1-O 3.48Å; F475-L483 HydrophobicContact CZ-CB 4.17Å; F475-Y506 HydrophobicContact CD2-CE1 4.2Å; F475-Y506 AromaticContact CE2-CD1 3.9Å; F475-Y506 HydrophobicContact CE2-CD1 3.9Å; F475-Y506 AromaticContact CE2-CE1 3.55Å; F475-Y506 HydrophobicContact CE2-CE1 3.55Å; F475-Y506 HydrophobicContact CZ-CD1 4.12Å; F475-Y506 HydrophobicContact CZ-CE1 4.19Å
476S95.4Very high94.9Very high92 Ų9260.1 Ų60.164%0.64331%0.307SS*.Hα-helixtrans-65.2-34.8175.370.60000112E472 T473E472-S476 WeakPolarHBondContact O-CB 3.23Å; E472-S476 PolarHBondContact O-N 2.89Å; E472-S476 PolarHBondContact O-OG 2.97Å; T473-S476 WeakPolarHBondContact CA-OG 3.45Å; T473-S476 PolarHBondContact O-OG 2.93Å
477K94Very high95Very high101 Ų10157.2 Ų57.244%0.43929%0.291SS..Hα-helixtrans-70.6-38.9171.8-73.7-173.1179.8-178.50112.8D380 I383 T473 A474 F475D380-K477 PolarHBondContact O-NZ 3.37Å; I383-K477 HydrophobicContact CD1-CD 3.73Å; T473-K477 PolarHBondContact O-N 2.8Å; A474-K477 PolarHBondContact O-N 3.04Å; F475-K477 VanDerWaalsContact C-N 3.29Å; F475-K477 PolarHBondContact O-N 3.01Å
478K95Very high95Very high73 Ų7352 Ų5232%0.31726%0.259SS..  trans-140.985.5-177.5-64-66.1-176.4163.40111.9V400 D402 A474 F475 H480 Y481V400-K478 HydrophobicContact CG1-CB 4.28Å; V400-K478 HydrophobicContact CG1-CG 3.51Å; D402-K478 VanDerWaalsContact OD1-CE 3.29Å; D402-K478 WeakPolarHBondContact OD1-CE 3.37Å; D402-K478 IonicContact OD1-NZ 3.84Å; D402-K478 PolarHBondContact OD1-NZ 3.39Å; A474-K478 PolarHBondContact O-N 2.97Å; F475-K478 CarbonylContact O-C 3.3Å; F475-K478 PolarHBondContact O-N 3.38Å; K478-H480 VanDerWaalsContact C-N 3.3Å; K478-H480 PolarHBondContact O-N 3.29Å; K478-Y481 HydrophobicContact CB-CD1 3.89Å; K478-Y481 HydrophobicContact CB-CD2 3.72Å; K478-Y481 HydrophobicContact CB-CE1 4.21Å; K478-Y481 HydrophobicContact CB-CE2 4.06Å; K478-Y481 HydrophobicContact CB-CG 3.62Å; K478-Y481 HydrophobicContact CD-CE1 4.02Å; K478-Y481 HydrophobicContact CD-CE2 4.08Å; K478-Y481 HydrophobicContact CG-CD1 4.43Å; K478-Y481 HydrophobicContact CG-CD2 3.9Å; K478-Y481 HydrophobicContact CG-CE1 4.28Å; K478-Y481 HydrophobicContact CG-CE2 3.73Å; K478-Y481 HydrophobicContact CG-CG 4.24Å; K478-Y481 PolarHBondContact O-N 2.96Å
479P94Very high95Very high89 Ų8948.9 Ų48.958%0.57824%0.243SC*.THydrogen-bonded Turntrans-64.8-29.4-175.1-25.534.7000114.7F475F475-P479 VanDerWaalsContact O-CA 3.24Å; F475-P479 WeakPolarHBondContact O-CA 3.33Å; F475-P479 WeakPolarHBondContact O-CD 3.29Å; F475-P479 WeakPolarHBondContact O-CG 3.18Å
480H93.4Very high94.9Very high182 Ų18242.9 Ų42.984%0.84322%0.216SC*.THydrogen-bonded Turntrans-86.8-1.6-176.6-56.4-60.6000114.3K478K478-H480 VanDerWaalsContact C-N 3.3Å; K478-H480 PolarHBondContact O-N 3.29Å
481Y95.1Very high94.9Very high36 Ų3642.7 Ų42.714%0.14122%0.215CC..PPolyproline II helixtrans-84.2147.5-175.9-78.423.2000110.4V400 D402 K405 F475 K478V400-Y481 HydrophobicContact CG1-CD2 3.87Å; V400-Y481 HydrophobicContact CG1-CE2 3.72Å; D402-Y481 WeakPolarHBondContact OD1-CE2 3.43Å; D402-Y481 PolarHBondContact OD1-OH 2.72Å; K405-Y481 VanDerWaalsContact C-CD2 3.46Å; K405-Y481 HydrophobicContact CB-CD1 4.24Å; K405-Y481 HydrophobicContact CB-CE1 4.09Å; K405-Y481 HydrophobicContact CG-CE1 4.39Å; F475-Y481 VanDerWaalsContact CE1-O 3.29Å; F475-Y481 WeakPolarHBondContact CE1-O 3.48Å; K478-Y481 HydrophobicContact CB-CD1 3.89Å; K478-Y481 HydrophobicContact CB-CD2 3.72Å; K478-Y481 HydrophobicContact CB-CE1 4.21Å; K478-Y481 HydrophobicContact CB-CE2 4.06Å; K478-Y481 HydrophobicContact CB-CG 3.62Å; K478-Y481 HydrophobicContact CD-CE1 4.02Å; K478-Y481 HydrophobicContact CD-CE2 4.08Å; K478-Y481 HydrophobicContact CG-CD1 4.43Å; K478-Y481 HydrophobicContact CG-CD2 3.9Å; K478-Y481 HydrophobicContact CG-CE1 4.28Å; K478-Y481 HydrophobicContact CG-CE2 3.73Å; K478-Y481 HydrophobicContact CG-CG 4.24Å; K478-Y481 PolarHBondContact O-N 2.96Å
482K93.6Very high95Very high114 Ų11442.4 Ų42.450%0.49621%0.214SC..EExtended strand (participates in β ladder)trans-89.2149.5178.4-63.4-172.9177.7-171.60111.1K405 C406 I407K405-K482 PolarHBondContact O-N 3.22Å; C406-K482 CarbonylContact C-O 3.55Å; C406-K482 WeakPolarHBondContact CA-O 3.42Å; C406-K482 WeakPolarHBondContact CB-O 3.27Å; I407-K482 PolarHBondContact N-O 2.97Å
483L97.5Very high95Very high4 Ų438.2 Ų38.22%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-81.8131.7176.5-171.961.7000110.9I407 I409 F475 L502 Y506 V509 K510I407-L483 HydrophobicContact CB-CD1 4.12Å; I407-L483 HydrophobicContact CG2-CD1 3.84Å; I409-L483 HydrophobicContact CD1-CD1 3.98Å; I409-L483 HydrophobicContact CG1-CD1 4.24Å; F475-L483 HydrophobicContact CZ-CB 4.17Å; L483-L502 HydrophobicContact CD2-CD1 4.08Å; L483-L502 HydrophobicContact CD2-CD2 4.43Å; L483-Y506 HydrophobicContact CD2-CD2 3.91Å; L483-Y506 HydrophobicContact CD2-CG 4.05Å; L483-V509 HydrophobicContact CB-CB 4.41Å; L483-V509 HydrophobicContact CB-CG2 4.16Å; L483-V509 HydrophobicContact CD2-CB 4.4Å; L483-V509 HydrophobicContact CD2-CG2 3.95Å; L483-V509 HydrophobicContact CG-CG2 3.9Å; L483-V509 WeakPolarHBondContact O-CA 3.41Å; L483-K510 PolarHBondContact O-N 2.98Å
484V97.8Very high95Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-127.3130.2175.7174.20000109.1I308 C406 I407 V408 I409 K510 Y512I308-V484 HydrophobicContact CD1-CG1 3.93Å; I308-V484 HydrophobicContact CG1-CG1 4.45Å; C406-V484 HydrophobicContact CB-CG2 3.82Å; I407-V484 PolarHBondContact O-N 3.2Å; V408-V484 CarbonylContact C-O 3.22Å; V408-V484 WeakPolarHBondContact CA-O 3.31Å; I409-V484 PolarHBondContact N-O 3.3Å; V484-K510 CarbonylContact C-O 3.54Å; V484-K510 VanDerWaalsContact CA-O 3.29Å; V484-K510 WeakPolarHBondContact CA-O 3.02Å; V484-Y512 HydrophobicContact CG1-CD2 3.55Å; V484-Y512 HydrophobicContact CG1-CE2 3.6Å; V484-Y512 HydrophobicContact CG2-CE2 4.34Å
485V98.3Very high95.1Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-113.5133.1171.4-170.10000107.8I409 I411 A495 L498 S499 L502 V509 K510 G511 Y512I409-V485 HydrophobicContact CB-CG1 4.37Å; I409-V485 HydrophobicContact CB-CG2 4.46Å; I409-V485 HydrophobicContact CD1-CG2 4.37Å; I409-V485 CarbonylContact O-C 3.51Å; I409-V485 WeakPolarHBondContact O-CA 3.32Å; I411-V485 HydrophobicContact CD1-CG1 4.15Å; V485-A495 HydrophobicContact CG1-CB 3.82Å; V485-L498 HydrophobicContact CG1-CB 4.35Å; V485-L498 HydrophobicContact CG1-CD2 3.87Å; V485-L498 HydrophobicContact CG1-CG 4.3Å; V485-S499 WeakPolarHBondContact CB-OG 3.32Å; V485-L502 HydrophobicContact CG2-CD1 3.73Å; V485-V509 HydrophobicContact CG2-CG2 3.89Å; V485-K510 PolarHBondContact N-O 2.98Å; V485-G511 CarbonylContact O-C 3.53Å; V485-G511 VanDerWaalsContact O-CA 3.24Å; V485-G511 WeakPolarHBondContact O-CA 3.5Å; V485-Y512 PolarHBondContact O-N 3.13Å
486C98Very high95.2Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-145.2157.1-179.260.40000111.8I308 V312 V408 I409 S410 I411 Y512I308-C486 HydrophobicContact CG2-CB 3.49Å; I308-C486 VanDerWaalsContact CG2-CB 3.49Å; V312-C486 HydrophobicContact CG2-CB 3.43Å; V312-C486 VanDerWaalsContact CG2-CB 3.43Å; V312-C486 WeakPolarHBondContact CG2-SG 3.41Å; V408-C486 VanDerWaalsContact CG2-SG 3.53Å; I409-C486 PolarHBondContact O-N 3.42Å; S410-C486 WeakPolarHBondContact CA-O 2.95Å; I411-C486 PolarHBondContact N-O 3.45Å; C486-Y512 WeakPolarHBondContact CA-O 3.45Å
487G96.4Very high95.3Very high0 Ų029.1 Ų29.10%014%0.138CC..EExtended strand (participates in β ladder)trans-168.9171.317700000112.7I411 A492 Y512 F514I411-G487 WeakPolarHBondContact O-CA 3.42Å; G487-A492 WeakPolarHBondContact O-CB 3.31Å; G487-Y512 PolarHBondContact N-O 2.8Å; G487-Y512 VanDerWaalsContact N-O 3.09Å; G487-F514 PolarHBondContact O-N 3.44Å
488H94.8Very high95.4Very high5 Ų524.3 Ų24.32%0.02312%0.117CC..EExtended strand (participates in β ladder)trans-123.6141.8-179.1177-87.3000112V312 Y316 G413 L490 G491 A492 F514 H813 I818V312-H488 HydrophobicContact CG1-CB 3.5Å; Y316-H488 HydrophobicContact CE2-CB 4.26Å; Y316-H488 AromaticContact CZ-ND1 3.9Å; Y316-H488 PolarHBondContact OH-ND1 2.95Å; G413-H488 VanDerWaalsContact CA-O 3.31Å; G413-H488 WeakPolarHBondContact CA-O 3.39Å; G413-H488 PolarHBondContact N-O 3.03Å; H488-L490 PolarHBondContact O-N 2.91Å; H488-G491 WeakPolarHBondContact O-CA 3.46Å; H488-G491 PolarHBondContact O-N 3.34Å; H488-A492 PolarHBondContact O-N 3.11Å; H488-F514 CarbonylContact C-O 3.5Å; H488-F514 VanDerWaalsContact CA-O 3.27Å; H488-F514 WeakPolarHBondContact CA-O 3.38Å; H488-H813 PolarHBondContact CE1-O 3.39Å; H488-H813 PolarHBondContact NE2-O 3.02Å; H488-I818 VanDerWaalsContact NE2-CD1 3.28Å; H488-I818 WeakPolarHBondContact NE2-CD1 3.23Å
489S91.5Very high95.6Very high4 Ų420.8 Ų20.83%0.02810%0.102CC..THydrogen-bonded Turntrans56.8-123.9177.5-174.70000110.2G491 A492 G493 F514 S515 P517 H813S489-G491 PolarHBondContact O-N 3.49Å; S489-A492 WeakPolarHBondContact O-CB 3.22Å; S489-A492 PolarHBondContact O-N 2.6Å; S489-G493 PolarHBondContact O-N 3.37Å; S489-F514 PolarHBondContact N-O 2.86Å; S489-S515 WeakPolarHBondContact CA-O 3.36Å; S489-P517 WeakPolarHBondContact O-CD 3.29Å; S489-H813 VanDerWaalsContact CB-CE1 3.44Å; S489-H813 WeakPolarHBondContact CB-CE1 3.36Å; S489-H813 WeakPolarHBondContact CB-NE2 3.35Å; S489-H813 PolarHBondContact OG-CE1 2.91Å; S489-H813 PolarHBondContact OG-NE2 3.37Å
490L90.6Very high95.7Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-59.6-34.9173.2-173.361.7000113.7T414 D423 M454 H488 A492 G493 I494T414-L490 WeakPolarHBondContact OG1-CD2 3.5Å; D423-L490 HydrophobicContact CB-CD1 4.36Å; D423-L490 VanDerWaalsContact OD2-CD2 3.27Å; D423-L490 WeakPolarHBondContact OD2-CD2 3.46Å; M454-L490 HydrophobicContact CE-CD1 3.64Å; M454-L490 HydrophobicContact CG-CD1 3.71Å; M454-L490 HydrophobicContact SD-CD1 4.09Å; H488-L490 PolarHBondContact O-N 2.91Å; L490-A492 PolarHBondContact O-N 2.93Å; L490-G493 WeakPolarHBondContact O-CA 3.38Å; L490-G493 PolarHBondContact O-N 3.22Å; L490-I494 HydrophobicContact CG-CD1 4.45Å; L490-I494 WeakPolarHBondContact O-CG1 3.36Å; L490-I494 PolarHBondContact O-N 3.15Å
491G93.2Very high95.9Very high0 Ų08.5 Ų8.50%04%0.038CC..Hα-helixtrans-64.7-27.5175.500000112H488 S489 G493 A495H488-G491 WeakPolarHBondContact O-CA 3.46Å; H488-G491 PolarHBondContact O-N 3.34Å; S489-G491 PolarHBondContact O-N 3.49Å; G491-G493 VanDerWaalsContact C-N 3.33Å; G491-A495 WeakPolarHBondContact O-CB 3.4Å; G491-A495 PolarHBondContact O-N 3.19Å
492A95.7Very high96Very high0 Ų06.9 Ų6.90%03%0.031CC..Hα-helixtrans-68.7-36.1171.200000111.3G487 H488 S489 L490 S496 A513 F514 A516G487-A492 WeakPolarHBondContact O-CB 3.31Å; H488-A492 PolarHBondContact O-N 3.11Å; S489-A492 WeakPolarHBondContact O-CB 3.22Å; S489-A492 PolarHBondContact O-N 2.6Å; L490-A492 PolarHBondContact O-N 2.93Å; A492-S496 WeakPolarHBondContact O-CB 3.07Å; A492-S496 PolarHBondContact O-N 3.42Å; A492-S496 PolarHBondContact O-OG 3.31Å; A492-A513 HydrophobicContact CB-CB 3.91Å; A492-F514 WeakPolarHBondContact CB-O 3.45Å; A492-A516 HydrophobicContact CB-CB 3.93Å
493G94.4Very high96.1Very high0 Ų03.1 Ų3.10%02%0.015CC..Hα-helixtrans-59.5-53.5171.400000112.4S489 L490 G491 A495 S496 F497 M520S489-G493 PolarHBondContact O-N 3.37Å; L490-G493 WeakPolarHBondContact O-CA 3.38Å; L490-G493 PolarHBondContact O-N 3.22Å; G491-G493 VanDerWaalsContact C-N 3.33Å; G493-A495 PolarHBondContact O-N 2.98Å; G493-S496 WeakPolarHBondContact O-CB 3.28Å; G493-S496 PolarHBondContact O-N 3.35Å; G493-F497 VanDerWaalsContact O-CD2 3.25Å; G493-F497 WeakPolarHBondContact O-CD2 3.24Å; G493-F497 PolarHBondContact O-N 2.89Å; G493-M520 VanDerWaalsContact CA-CE 3.48Å
494I94.9Very high95.9Very high2 Ų24.7 Ų4.71%0.013%0.027CC..Hα-helixtrans-62-43.4177.8-59.5168.6000110.7S394 I411 R457 S458 L461 L490 S496 F497 L498S394-I494 VanDerWaalsContact OG-CD1 3.23Å; S394-I494 WeakPolarHBondContact OG-CD1 2.99Å; I411-I494 HydrophobicContact CD1-CB 4.43Å; I411-I494 HydrophobicContact CD1-CG2 3.9Å; I411-I494 HydrophobicContact CG2-CB 4.29Å; I411-I494 HydrophobicContact CG2-CD1 4.46Å; I411-I494 HydrophobicContact CG2-CG2 4.21Å; R457-I494 HydrophobicContact CB-CD1 3.98Å; R457-I494 HydrophobicContact CB-CG1 4.12Å; R457-I494 HydrophobicContact CB-CG2 4.45Å; S458-I494 WeakPolarHBondContact OG-CA 3.1Å; S458-I494 VanDerWaalsContact OG-CG2 3.31Å; S458-I494 WeakPolarHBondContact OG-CG2 3.4Å; S458-I494 PolarHBondContact OG-O 3.43Å; L461-I494 HydrophobicContact CD2-CG2 4.3Å; L490-I494 HydrophobicContact CG-CD1 4.45Å; L490-I494 WeakPolarHBondContact O-CG1 3.36Å; L490-I494 PolarHBondContact O-N 3.15Å; I494-S496 VanDerWaalsContact C-N 3.28Å; I494-S496 PolarHBondContact O-N 3.09Å; I494-F497 PolarHBondContact O-N 3.23Å; I494-L498 VanDerWaalsContact O-CB 3.22Å; I494-L498 WeakPolarHBondContact O-CB 3.41Å; I494-L498 PolarHBondContact O-N 3.23Å
495A97.3Very high95.7Very high1 Ų19.2 Ų9.21%0.0085%0.046CC..Hα-helixtrans-58.8-40.7176.600000111.9I411 V485 G491 G493 L498 S499I411-A495 HydrophobicContact CD1-CB 4.06Å; V485-A495 HydrophobicContact CG1-CB 3.82Å; G491-A495 WeakPolarHBondContact O-CB 3.4Å; G491-A495 PolarHBondContact O-N 3.19Å; G493-A495 PolarHBondContact O-N 2.98Å; A495-L498 PolarHBondContact O-N 3.04Å; A495-S499 WeakPolarHBondContact O-CB 3.46Å; A495-S499 PolarHBondContact O-N 3.36Å; A495-S499 PolarHBondContact O-OG 2.8Å
496S97.6Very high95.6Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-63.2-52178.6-590000111.6A492 G493 I494 L498 S499 V500 M520A492-S496 WeakPolarHBondContact O-CB 3.07Å; A492-S496 PolarHBondContact O-N 3.42Å; A492-S496 PolarHBondContact O-OG 3.31Å; G493-S496 WeakPolarHBondContact O-CB 3.28Å; G493-S496 PolarHBondContact O-N 3.35Å; I494-S496 VanDerWaalsContact C-N 3.28Å; I494-S496 PolarHBondContact O-N 3.09Å; S496-L498 VanDerWaalsContact C-N 3.34Å; S496-L498 PolarHBondContact O-N 3.43Å; S496-S499 WeakPolarHBondContact O-CB 3.08Å; S496-S499 PolarHBondContact O-N 2.95Å; S496-V500 WeakPolarHBondContact O-CG2 3.45Å; S496-V500 PolarHBondContact O-N 3.15Å; S496-M520 VanDerWaalsContact CB-CE 3.46Å; S496-M520 WeakPolarHBondContact OG-CE 3.41Å
497F97.5Very high95.3Very high0 Ų014.9 Ų14.90%08%0.078CC..Hα-helixtrans-65.8-36.9177.7-69.3-63.2000112.5L431 H451 M454 V455 S458 G493 I494 S499 V500 I501 M520 M521 L525L431-F497 HydrophobicContact CD1-CE1 4.41Å; L431-F497 HydrophobicContact CD2-CD1 3.96Å; H451-F497 HydrophobicContact CB-CE2 4.27Å; H451-F497 HydrophobicContact CB-CZ 4.39Å; M454-F497 HydrophobicContact CB-CD2 3.6Å; M454-F497 HydrophobicContact CB-CE2 3.59Å; M454-F497 HydrophobicContact CG-CE2 4.49Å; M454-F497 HydrophobicContact SD-CE2 4.15Å; V455-F497 HydrophobicContact CG2-CD1 3.77Å; V455-F497 HydrophobicContact CG2-CD2 4.12Å; V455-F497 HydrophobicContact CG2-CE1 3.79Å; V455-F497 HydrophobicContact CG2-CE2 4.15Å; V455-F497 HydrophobicContact CG2-CG 3.93Å; V455-F497 HydrophobicContact CG2-CZ 3.98Å; S458-F497 WeakPolarHBondContact OG-CB 3.43Å; G493-F497 VanDerWaalsContact O-CD2 3.25Å; G493-F497 WeakPolarHBondContact O-CD2 3.24Å; G493-F497 PolarHBondContact O-N 2.89Å; I494-F497 PolarHBondContact O-N 3.23Å; F497-S499 VanDerWaalsContact C-N 3.33Å; F497-S499 PolarHBondContact O-N 3.25Å; F497-V500 WeakPolarHBondContact O-CB 3.21Å; F497-V500 PolarHBondContact O-N 3.43Å; F497-I501 WeakPolarHBondContact O-CG1 3.32Å; F497-I501 PolarHBondContact O-N 3.46Å; F497-M520 HydrophobicContact CE2-CE 4.41Å; F497-M520 HydrophobicContact CZ-CB 4.46Å; F497-M520 WeakPolarHBondContact CZ-O 3.36Å; F497-M521 HydrophobicContact CE1-CB 4.24Å; F497-M521 HydrophobicContact CE1-CE 4.06Å; F497-M521 HydrophobicContact CZ-CB 4.22Å; F497-M521 HydrophobicContact CZ-CE 4.2Å; F497-L525 HydrophobicContact CD1-CD2 4.5Å; F497-L525 HydrophobicContact CE1-CD2 3.94Å
498L97.6Very high95.2Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-63.8-39.9174.4-178.564.2000111.1I409 I411 L461 Y462 L465 V485 I494 A495 S496 V500 I501 L502I409-L498 HydrophobicContact CG2-CD2 4.18Å; I411-L498 HydrophobicContact CD1-CD2 3.89Å; L461-L498 HydrophobicContact CD2-CD2 3.73Å; L461-L498 HydrophobicContact CG-CD2 4.08Å; Y462-L498 HydrophobicContact CD2-CD1 4.28Å; L465-L498 HydrophobicContact CD1-CD1 4.38Å; L465-L498 HydrophobicContact CD1-CD2 4.02Å; V485-L498 HydrophobicContact CG1-CB 4.35Å; V485-L498 HydrophobicContact CG1-CD2 3.87Å; V485-L498 HydrophobicContact CG1-CG 4.3Å; I494-L498 VanDerWaalsContact O-CB 3.22Å; I494-L498 WeakPolarHBondContact O-CB 3.41Å; I494-L498 PolarHBondContact O-N 3.23Å; A495-L498 PolarHBondContact O-N 3.04Å; S496-L498 VanDerWaalsContact C-N 3.34Å; S496-L498 PolarHBondContact O-N 3.43Å; L498-V500 VanDerWaalsContact C-N 3.33Å; L498-V500 PolarHBondContact O-N 3.44Å; L498-I501 PolarHBondContact O-N 3.06Å; L498-L502 HydrophobicContact CD1-CD1 3.92Å; L498-L502 HydrophobicContact CD1-CG 4.08Å; L498-L502 HydrophobicContact CD2-CD1 4.21Å; L498-L502 HydrophobicContact CG-CD1 3.67Å; L498-L502 HydrophobicContact CG-CG 4.27Å; L498-L502 VanDerWaalsContact O-CB 3.26Å; L498-L502 WeakPolarHBondContact O-CB 3.48Å; L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.36Å; L498-L502 PolarHBondContact O-N 3.01Å
499S98.1Very high95.3Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-59.7-42.7172-65.30000111.8V485 A495 S496 F497 L502 H503 G511V485-S499 WeakPolarHBondContact CB-OG 3.32Å; A495-S499 WeakPolarHBondContact O-CB 3.46Å; A495-S499 PolarHBondContact O-N 3.36Å; A495-S499 PolarHBondContact O-OG 2.8Å; S496-S499 WeakPolarHBondContact O-CB 3.08Å; S496-S499 PolarHBondContact O-N 2.95Å; F497-S499 VanDerWaalsContact C-N 3.33Å; F497-S499 PolarHBondContact O-N 3.25Å; S499-L502 PolarHBondContact O-N 2.97Å; S499-H503 VanDerWaalsContact O-CB 3.24Å; S499-H503 WeakPolarHBondContact O-CB 3.39Å; S499-H503 PolarHBondContact O-N 3.48Å; S499-G511 WeakPolarHBondContact OG-CA 3.48Å
500V97.5Very high95.5Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-61.5-47.3177.7176.50000111.3L431 V434 S496 F497 L498 H503 L525 Y528 C529 F532L431-V500 HydrophobicContact CD2-CG1 4.27Å; V434-V500 HydrophobicContact CB-CG1 4.35Å; V434-V500 HydrophobicContact CG1-CG1 3.75Å; V434-V500 HydrophobicContact CG2-CG1 3.81Å; S496-V500 WeakPolarHBondContact O-CG2 3.45Å; S496-V500 PolarHBondContact O-N 3.15Å; F497-V500 WeakPolarHBondContact O-CB 3.21Å; F497-V500 PolarHBondContact O-N 3.43Å; L498-V500 VanDerWaalsContact C-N 3.33Å; L498-V500 PolarHBondContact O-N 3.44Å; V500-H503 WeakPolarHBondContact O-CB 3.3Å; V500-H503 PolarHBondContact O-N 2.95Å; V500-L525 HydrophobicContact CG1-CD1 4.15Å; V500-L525 HydrophobicContact CG2-CD1 4.48Å; V500-Y528 HydrophobicContact CG1-CE1 4.3Å; V500-C529 WeakPolarHBondContact CG2-SG 3.45Å; V500-F532 HydrophobicContact CG2-CE2 4.14Å; V500-F532 HydrophobicContact CG2-CZ 4.13Å
501I97Very high95.9Very high13 Ų1321.2 Ų21.27%0.06711%0.11CC..Hα-helixtrans-64.6-47.1178.6-64.3165.6000110.2V434 R459 Y462 F497 L498 H503 C504V434-I501 HydrophobicContact CG2-CG1 4.47Å; R459-I501 HydrophobicContact CG-CD1 4.08Å; Y462-I501 HydrophobicContact CD1-CG2 4.24Å; Y462-I501 HydrophobicContact CD2-CG2 3.7Å; Y462-I501 HydrophobicContact CE1-CG2 4.35Å; Y462-I501 HydrophobicContact CE2-CG2 3.84Å; Y462-I501 HydrophobicContact CG-CG2 3.91Å; F497-I501 WeakPolarHBondContact O-CG1 3.32Å; F497-I501 PolarHBondContact O-N 3.46Å; L498-I501 PolarHBondContact O-N 3.06Å; I501-H503 VanDerWaalsContact C-N 3.28Å; I501-H503 PolarHBondContact O-N 2.84Å; I501-C504 WeakPolarHBondContact O-CB 3.41Å; I501-C504 PolarHBondContact O-N 3.32Å
502L97.2Very high96.1Very high1 Ų121.2 Ų21.21%0.00511%0.11CC..Hα-helixtrans-65.4-29.6179.5-75.8168.7000112.9I409 Y462 I471 L483 V485 L498 S499 C504 K505 Y506 V509I409-L502 HydrophobicContact CD1-CD1 4.17Å; Y462-L502 HydrophobicContact CD2-CD2 3.89Å; Y462-L502 HydrophobicContact CD2-CG 4.27Å; Y462-L502 HydrophobicContact CE2-CD2 3.79Å; Y462-L502 HydrophobicContact CE2-CG 4.45Å; I471-L502 HydrophobicContact CD1-CD1 4.49Å; I471-L502 HydrophobicContact CD1-CD2 3.69Å; L483-L502 HydrophobicContact CD2-CD1 4.08Å; L483-L502 HydrophobicContact CD2-CD2 4.43Å; V485-L502 HydrophobicContact CG2-CD1 3.73Å; L498-L502 HydrophobicContact CD1-CD1 3.92Å; L498-L502 HydrophobicContact CD1-CG 4.08Å; L498-L502 HydrophobicContact CD2-CD1 4.21Å; L498-L502 HydrophobicContact CG-CD1 3.67Å; L498-L502 HydrophobicContact CG-CG 4.27Å; L498-L502 VanDerWaalsContact O-CB 3.26Å; L498-L502 WeakPolarHBondContact O-CB 3.48Å; L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.36Å; L498-L502 PolarHBondContact O-N 3.01Å; S499-L502 PolarHBondContact O-N 2.97Å; L502-C504 PolarHBondContact O-N 2.86Å; L502-C504 VanDerWaalsContact O-N 3.15Å; L502-K505 PolarHBondContact O-N 3.3Å; L502-Y506 HydrophobicContact CD2-CD2 3.88Å; L502-Y506 HydrophobicContact CD2-CE2 4.03Å; L502-Y506 PolarHBondContact O-N 2.92Å; L502-V509 HydrophobicContact CB-CG2 4.47Å
503H96.1Very high96.2Very high35 Ų3521.2 Ų21.216%0.16211%0.11CC..Hα-helixtrans-59.2-27.2179.3-174.672.1000112.4S499 V500 I501 K505 P507 V509 F532S499-H503 VanDerWaalsContact O-CB 3.24Å; S499-H503 WeakPolarHBondContact O-CB 3.39Å; S499-H503 PolarHBondContact O-N 3.48Å; V500-H503 WeakPolarHBondContact O-CB 3.3Å; V500-H503 PolarHBondContact O-N 2.95Å; I501-H503 VanDerWaalsContact C-N 3.28Å; I501-H503 PolarHBondContact O-N 2.84Å; H503-K505 VanDerWaalsContact C-N 3.31Å; H503-K505 PolarHBondContact O-N 3.39Å; H503-P507 PolarHBondContact CE1-O 3.39Å; H503-P507 PolarHBondContact ND1-O 3.29Å; H503-P507 VanDerWaalsContact ND1-O 3.08Å; H503-P507 WeakPolarHBondContact O-CA 3.25Å; H503-V509 HydrophobicContact CB-CG1 3.81Å; H503-F532 HydrophobicContact CB-CE1 4.48Å; H503-F532 HydrophobicContact CB-CE2 4.23Å; H503-F532 HydrophobicContact CB-CZ 4.17Å; H503-F532 AromaticContact CD2-CE1 3.85Å; H503-F532 AromaticContact CE1-CD1 3.79Å; H503-F532 AromaticContact CG-CE1 3.9Å; H503-F532 AromaticContact ND1-CD1 3.78Å; H503-F532 AromaticContact ND1-CG 3.95Å
504C93.5Very high96.3Very high38 Ų3821.4 Ų21.426%0.25711%0.111SC..THydrogen-bonded Turntrans-64.6-34.8176.2-56.90000112.6F437 I501 L502F437-C504 HydrophobicContact CD1-CB 4.18Å; F437-C504 HydrophobicContact CD2-CB 3.98Å; F437-C504 HydrophobicContact CE1-CB 4.26Å; F437-C504 HydrophobicContact CE2-CB 4.06Å; F437-C504 WeakPolarHBondContact CE2-O 3.48Å; F437-C504 HydrophobicContact CG-CB 4.01Å; F437-C504 HydrophobicContact CZ-CB 4.16Å; I501-C504 WeakPolarHBondContact O-CB 3.41Å; I501-C504 PolarHBondContact O-N 3.32Å; L502-C504 PolarHBondContact O-N 2.86Å; L502-C504 VanDerWaalsContact O-N 3.15Å
505K93.3Very high96.3Very high94 Ų9421.3 Ų21.341%0.40911%0.11SC..THydrogen-bonded Turntrans-99.6-32.1-180-172.9174.9178.9-176.60112.9E472 L502 H503E472-K505 IonicContact OE1-NZ 3.77Å; L502-K505 PolarHBondContact O-N 3.3Å; H503-K505 VanDerWaalsContact C-N 3.31Å; H503-K505 PolarHBondContact O-N 3.39Å
506Y95.2Very high96.2Very high42 Ų4221.2 Ų21.217%0.16511%0.11CC..  trans-12781-176.7-56.7-76.3000109I471 F475 L483 L502 D508 V509I471-Y506 HydrophobicContact CG2-CE1 4.38Å; I471-Y506 HydrophobicContact CG2-CE2 4.04Å; F475-Y506 HydrophobicContact CD2-CE1 4.2Å; F475-Y506 AromaticContact CE2-CD1 3.9Å; F475-Y506 HydrophobicContact CE2-CD1 3.9Å; F475-Y506 AromaticContact CE2-CE1 3.55Å; F475-Y506 HydrophobicContact CE2-CE1 3.55Å; F475-Y506 HydrophobicContact CZ-CD1 4.12Å; F475-Y506 HydrophobicContact CZ-CE1 4.19Å; L483-Y506 HydrophobicContact CD2-CD2 3.91Å; L483-Y506 HydrophobicContact CD2-CG 4.05Å; L502-Y506 HydrophobicContact CD2-CD2 3.88Å; L502-Y506 HydrophobicContact CD2-CE2 4.03Å; L502-Y506 PolarHBondContact O-N 2.92Å; Y506-D508 PolarHBondContact O-N 3.23Å; Y506-D508 VanDerWaalsContact O-N 3.09Å; Y506-V509 VanDerWaalsContact O-CB 3.31Å; Y506-V509 WeakPolarHBondContact O-CB 3.36Å; Y506-V509 WeakPolarHBondContact O-CG1 3.1Å; Y506-V509 PolarHBondContact O-N 3.36Å
507P93Very high95.9Very high77 Ų7721.3 Ų21.350%0.511%0.111SC..THydrogen-bonded Turntrans-60.7-23.8-173.922.9-33.8000113.8H503 V509H503-P507 PolarHBondContact CE1-O 3.39Å; H503-P507 PolarHBondContact ND1-O 3.29Å; H503-P507 VanDerWaalsContact ND1-O 3.08Å; H503-P507 WeakPolarHBondContact O-CA 3.25Å; P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 3.06Å
508D92.9Very high95.7Very high109 Ų10921.3 Ų21.358%0.58311%0.111SC*.THydrogen-bonded Turntrans-81.6-0.1176.9-69.7-39.6000114.6Y506 K510Y506-D508 PolarHBondContact O-N 3.23Å; Y506-D508 VanDerWaalsContact O-N 3.09Å; D508-K510 PolarHBondContact O-N 3.38Å
509V96.6Very high95.3Very high0 Ų021.4 Ų21.40%011%0.112CC..  trans-58.2137.9178.768.90000110.7L483 V485 L502 H503 Y506 P507 F532L483-V509 HydrophobicContact CB-CB 4.41Å; L483-V509 HydrophobicContact CB-CG2 4.16Å; L483-V509 HydrophobicContact CD2-CB 4.4Å; L483-V509 HydrophobicContact CD2-CG2 3.95Å; L483-V509 HydrophobicContact CG-CG2 3.9Å; L483-V509 WeakPolarHBondContact O-CA 3.41Å; V485-V509 HydrophobicContact CG2-CG2 3.89Å; L502-V509 HydrophobicContact CB-CG2 4.47Å; H503-V509 HydrophobicContact CB-CG1 3.81Å; Y506-V509 VanDerWaalsContact O-CB 3.31Å; Y506-V509 WeakPolarHBondContact O-CB 3.36Å; Y506-V509 WeakPolarHBondContact O-CG1 3.1Å; Y506-V509 PolarHBondContact O-N 3.36Å; P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 3.06Å; V509-F532 WeakPolarHBondContact O-CB 3.31Å
510K97.1Very high94.9Very high34 Ų3421.4 Ų21.415%0.14811%0.112CC..EExtended strand (participates in β ladder)trans-118.3135.3172.2-61.4-59.8-174.4-171.60111.3W299 L483 V484 V485 D508 Y512 P531 F532W299-K510 HydrophobicContact CB-CD 4.46Å; W299-K510 HydrophobicContact CB-CG 4.01Å; W299-K510 HydrophobicContact CD2-CD 3.71Å; W299-K510 HydrophobicContact CD2-CG 4.08Å; W299-K510 HydrophobicContact CE3-CB 4.15Å; W299-K510 HydrophobicContact CE3-CD 3.94Å; W299-K510 HydrophobicContact CE3-CG 4.15Å; W299-K510 HydrophobicContact CG-CD 3.91Å; W299-K510 HydrophobicContact CG-CG 4Å; W299-K510 HydrophobicContact CZ3-CD 4.42Å; L483-K510 PolarHBondContact O-N 2.98Å; V484-K510 CarbonylContact C-O 3.54Å; V484-K510 VanDerWaalsContact CA-O 3.29Å; V484-K510 WeakPolarHBondContact CA-O 3.02Å; V485-K510 PolarHBondContact N-O 2.98Å; D508-K510 PolarHBondContact O-N 3.38Å; K510-Y512 HydrophobicContact CB-CE2 4.05Å; K510-P531 PolarHBondContact NZ-O 3.43Å; K510-F532 CarbonylContact C-O 3.54Å; K510-F532 WeakPolarHBondContact CA-O 3.44Å; K510-F532 HydrophobicContact CD-CB 4.16Å
511G97.7Very high94.7Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-104.7133.2178.800000112V485 S499 F532 L534V485-G511 CarbonylContact O-C 3.53Å; V485-G511 VanDerWaalsContact O-CA 3.24Å; V485-G511 WeakPolarHBondContact O-CA 3.5Å; S499-G511 WeakPolarHBondContact OG-CA 3.48Å; G511-F532 PolarHBondContact N-O 2.9Å; G511-L534 PolarHBondContact O-N 3.22Å
512Y98.2Very high94.5Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-124.3111.5172.6-60.7-99.6000110.8W299 R304 I305 I308 V484 V485 C486 G487 K510 L534 I536W299-Y512 WeakPolarHBondContact CB-OH 3.44Å; W299-Y512 HydrophobicContact CE3-CE1 4.23Å; W299-Y512 AromaticContact CE3-CZ 3.98Å; W299-Y512 WeakPolarHBondContact O-CE1 3.21Å; W299-Y512 PolarHBondContact O-OH 3.21Å; R304-Y512 WeakPolarHBondContact CD-OH 3.34Å; R304-Y512 PolarHBondContact NE-OH 3.11Å; R304-Y512 VanDerWaalsContact NE-OH 3.17Å; I305-Y512 HydrophobicContact CG1-CE1 4.08Å; I308-Y512 HydrophobicContact CB-CG 4.48Å; I308-Y512 HydrophobicContact CG1-CD2 4.28Å; I308-Y512 HydrophobicContact CG1-CE2 4.18Å; I308-Y512 HydrophobicContact CG2-CD2 4.01Å; I308-Y512 HydrophobicContact CG2-CG 3.9Å; V484-Y512 HydrophobicContact CG1-CD2 3.55Å; V484-Y512 HydrophobicContact CG1-CE2 3.6Å; V484-Y512 HydrophobicContact CG2-CE2 4.34Å; V485-Y512 PolarHBondContact O-N 3.13Å; C486-Y512 WeakPolarHBondContact CA-O 3.45Å; G487-Y512 PolarHBondContact N-O 2.8Å; G487-Y512 VanDerWaalsContact N-O 3.09Å; K510-Y512 HydrophobicContact CB-CE2 4.05Å; Y512-L534 WeakPolarHBondContact CA-O 3.48Å; Y512-L534 HydrophobicContact CD1-CB 4.49Å; Y512-L534 HydrophobicContact CD1-CD2 4.05Å; Y512-L534 HydrophobicContact CE1-CD2 4.16Å; Y512-I536 HydrophobicContact CD1-CD1 4.47Å
513A97.5Very high94.2Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-109.597.4-172.600000110A492 A516 L533 L534 S535 I536A492-A513 HydrophobicContact CB-CB 3.91Å; A513-A516 HydrophobicContact CB-CB 4.07Å; A513-L533 HydrophobicContact CB-CD1 4.33Å; A513-L534 PolarHBondContact N-O 2.98Å; A513-S535 CarbonylContact O-C 3.55Å; A513-S535 WeakPolarHBondContact O-CA 3.47Å; A513-I536 PolarHBondContact O-N 3.35Å
514F97.3Very high94.1Very high3 Ų324.6 Ų24.61%0.01313%0.126CC..EExtended strand (participates in β ladder)trans-87.1123.1-179.4-66.3-93000110.8I305 I308 A309 V312 G487 H488 S489 A492 A516 I536 I818I305-F514 HydrophobicContact CG2-CE1 4.28Å; I305-F514 HydrophobicContact CG2-CZ 4.31Å; I308-F514 HydrophobicContact CG2-CE2 3.92Å; I308-F514 HydrophobicContact CG2-CZ 4.37Å; A309-F514 HydrophobicContact CB-CD1 4.44Å; A309-F514 HydrophobicContact CB-CE1 3.62Å; A309-F514 HydrophobicContact CB-CZ 3.71Å; V312-F514 HydrophobicContact CB-CD2 4.22Å; V312-F514 HydrophobicContact CB-CE2 4.45Å; V312-F514 HydrophobicContact CG1-CD2 4.12Å; V312-F514 HydrophobicContact CG2-CD2 3.79Å; V312-F514 HydrophobicContact CG2-CE2 3.84Å; G487-F514 PolarHBondContact O-N 3.44Å; H488-F514 CarbonylContact C-O 3.5Å; H488-F514 VanDerWaalsContact CA-O 3.27Å; H488-F514 WeakPolarHBondContact CA-O 3.38Å; S489-F514 PolarHBondContact N-O 2.86Å; A492-F514 WeakPolarHBondContact CB-O 3.45Å; F514-A516 PolarHBondContact O-N 2.76Å; F514-I536 HydrophobicContact CD1-CB 4.01Å; F514-I536 HydrophobicContact CD1-CD1 4.05Å; F514-I536 HydrophobicContact CD1-CG1 4.41Å; F514-I536 HydrophobicContact CD1-CG2 4.37Å; F514-I536 HydrophobicContact CD2-CD1 4.47Å; F514-I536 HydrophobicContact CE1-CB 4.28Å; F514-I536 HydrophobicContact CE1-CD1 3.81Å; F514-I536 HydrophobicContact CE1-CG1 4.23Å; F514-I536 HydrophobicContact CE2-CD1 4.25Å; F514-I536 HydrophobicContact CG-CD1 4.38Å; F514-I536 HydrophobicContact CZ-CD1 3.93Å; F514-I818 HydrophobicContact CD1-CG2 3.88Å
515S94.7Very high94.2Very high0 Ų022.8 Ų22.80%011%0.114CC..THydrogen-bonded Turntrans51.642.6-178.5-84.40000113.1S489 I536 D541 I818S489-S515 WeakPolarHBondContact CA-O 3.36Å; S515-I536 PolarHBondContact N-O 3.11Å; S515-D541 WeakPolarHBondContact CB-OD2 3.25Å; S515-D541 PolarHBondContact OG-OD2 3.19Å; S515-I818 WeakPolarHBondContact OG-CD1 3.36Å
516A94.3Very high94.2Very high0 Ų018.5 Ų18.50%010%0.096CC..  trans-58.5141.1174.300000111.3A492 A513 F514 M520 A544 F720A492-A516 HydrophobicContact CB-CB 3.93Å; A513-A516 HydrophobicContact CB-CB 4.07Å; F514-A516 PolarHBondContact O-N 2.76Å; A516-M520 HydrophobicContact CB-SD 3.77Å; A516-A544 WeakPolarHBondContact O-CA 3.41Å; A516-F720 HydrophobicContact CB-CB 4.11Å
517P92.1Very high94Very high2 Ų219.3 Ų19.31%0.01310%0.103CC..  trans-68.8151.8174.325.2-30.5000112.5L424 M454 S489 G519 M520 F543 F720L424-P517 HydrophobicContact CD1-CB 4.31Å; L424-P517 HydrophobicContact CD2-CB 3.29Å; L424-P517 HydrophobicContact CD2-CG 3.82Å; L424-P517 HydrophobicContact CG-CB 4.34Å; M454-P517 HydrophobicContact CE-CG 3.6Å; M454-P517 HydrophobicContact SD-CG 4.32Å; S489-P517 WeakPolarHBondContact O-CD 3.29Å; P517-G519 VanDerWaalsContact C-N 3.31Å; P517-G519 PolarHBondContact O-N 3.09Å; P517-M520 HydrophobicContact CG-CG 3.85Å; P517-M520 HydrophobicContact CG-SD 3.99Å; P517-M520 WeakPolarHBondContact O-CG 3.46Å; P517-F543 WeakPolarHBondContact CA-O 3.03Å; P517-F720 WeakPolarHBondContact O-CB 3.34Å
518L92.1Very high94.1Very high0 Ų018.1 Ų18.10%09%0.089CC..SBendtrans-69.6-30.3174.5-165.468.3000112.7M520 F543 A544 M546 N547 T550 S718 V719 F720 F800 Q801L518-M520 PolarHBondContact O-N 2.7Å; L518-F543 PolarHBondContact N-O 3.32Å; L518-A544 WeakPolarHBondContact CB-O 3.47Å; L518-M546 WeakPolarHBondContact CB-O 3.39Å; L518-M546 PolarHBondContact N-O 3.32Å; L518-N547 HydrophobicContact CB-CB 4.42Å; L518-N547 HydrophobicContact CD2-CB 4.46Å; L518-N547 HydrophobicContact CG-CB 4.44Å; L518-T550 HydrophobicContact CD2-CG2 4.21Å; L518-S718 CarbonylContact O-C 3.53Å; L518-S718 VanDerWaalsContact O-C 3.22Å; L518-S718 VanDerWaalsContact O-O 3.14Å; L518-S718 PolarHBondContact O-OG 2.94Å; L518-V719 HydrophobicContact CD1-CB 4.38Å; L518-V719 HydrophobicContact CD1-CG1 4.36Å; L518-V719 CarbonylContact O-C 3.48Å; L518-V719 WeakPolarHBondContact O-CA 3.34Å; L518-V719 PolarHBondContact O-N 3.42Å; L518-V719 VanDerWaalsContact O-N 3.17Å; L518-F720 HydrophobicContact CB-CD1 4.33Å; L518-F720 HydrophobicContact CD1-CD1 3.52Å; L518-F720 HydrophobicContact CD1-CE1 3.49Å; L518-F720 VanDerWaalsContact CD1-CE1 3.49Å; L518-F800 HydrophobicContact CD1-CB 4.06Å; L518-F800 HydrophobicContact CD2-CB 4.45Å; L518-Q801 HydrophobicContact CD2-CG 4.16Å
519G89Confident94.2Very high2 Ų213 Ų132%0.0216%0.061CC..SBendtrans-63.232.8-179.900000117.6H451 P517 M546 S718H451-G519 PolarHBondContact CD2-O 2.95Å; H451-G519 VanDerWaalsContact CD2-O 3.3Å; P517-G519 VanDerWaalsContact C-N 3.31Å; P517-G519 PolarHBondContact O-N 3.09Å; G519-M546 PolarHBondContact N-O 3.39Å; G519-S718 VanDerWaalsContact C-OG 3.24Å; G519-S718 WeakPolarHBondContact CA-OG 3.39Å
520M90.9Very high94.1Very high0 Ų017 Ų170%08%0.079CC..SBendtrans-101.5-65.5-165.4-72.5178.152.900115.2G450 H451 M454 G493 S496 F497 A516 P517 L518 S718 V719 F720G450-M520 CarbonylContact C-O 3.07Å; H451-M520 VanDerWaalsContact CB-O 3.24Å; H451-M520 WeakPolarHBondContact CB-O 3.42Å; H451-M520 PolarHBondContact N-O 2.99Å; M454-M520 HydrophobicContact CE-CG 4.26Å; M454-M520 HydrophobicContact SD-CG 3.8Å; G493-M520 VanDerWaalsContact CA-CE 3.48Å; S496-M520 VanDerWaalsContact CB-CE 3.46Å; S496-M520 WeakPolarHBondContact OG-CE 3.41Å; F497-M520 HydrophobicContact CE2-CE 4.41Å; F497-M520 HydrophobicContact CZ-CB 4.46Å; F497-M520 WeakPolarHBondContact CZ-O 3.36Å; A516-M520 HydrophobicContact CB-SD 3.77Å; P517-M520 HydrophobicContact CG-CG 3.85Å; P517-M520 HydrophobicContact CG-SD 3.99Å; P517-M520 WeakPolarHBondContact O-CG 3.46Å; L518-M520 PolarHBondContact O-N 2.7Å; M520-S718 PolarHBondContact N-OG 3.33Å; M520-V719 WeakPolarHBondContact CB-O 3.28Å; M520-F720 HydrophobicContact SD-CB 3.96Å
521M93.4Very high93.9Very high0 Ų019.3 Ų19.30%010%0.098CC..BIsolated β-bridgetrans-141.6164.6-168.760.1-172.176.800112.3I449 F497 L525 A526 S718 V719 G721I449-M521 WeakPolarHBondContact O-CA 3.34Å; F497-M521 HydrophobicContact CE1-CB 4.24Å; F497-M521 HydrophobicContact CE1-CE 4.06Å; F497-M521 HydrophobicContact CZ-CB 4.22Å; F497-M521 HydrophobicContact CZ-CE 4.2Å; M521-L525 HydrophobicContact CB-CB 4.19Å; M521-L525 HydrophobicContact CB-CD2 3.83Å; M521-L525 HydrophobicContact CB-CG 4.16Å; M521-L525 HydrophobicContact CG-CB 4.42Å; M521-L525 HydrophobicContact CG-CG 4.39Å; M521-L525 HydrophobicContact SD-CB 4.17Å; M521-L525 HydrophobicContact SD-CD2 4.13Å; M521-L525 HydrophobicContact SD-CG 3.69Å; M521-A526 HydrophobicContact CG-CB 4.02Å; M521-A526 HydrophobicContact SD-CB 4.09Å; M521-S718 CarbonylContact O-C 3.59Å; M521-S718 VanDerWaalsContact O-CA 3.25Å; M521-S718 WeakPolarHBondContact O-CA 3.32Å; M521-S718 WeakPolarHBondContact O-CB 3.06Å; M521-V719 WeakPolarHBondContact CG-O 3.42Å; M521-V719 PolarHBondContact N-O 3.45Å; M521-V719 PolarHBondContact O-N 3.21Å; M521-G721 VanDerWaalsContact SD-CA 3.55Å
522N93Very high93.8Very high7 Ų719.5 Ų19.54%0.03710%0.098CC..  trans-69.5161.517168.8-20.9000112.2C447 I449 E524 L525 A526C447-N522 PolarHBondContact O-ND2 3.44Å; I449-N522 HydrophobicContact CB-CB 4.32Å; I449-N522 PolarHBondContact N-OD1 2.78Å; I449-N522 PolarHBondContact O-N 2.72Å; I449-N522 PolarHBondContact O-OD1 3.46Å; N522-E524 VanDerWaalsContact C-N 3.27Å; N522-E524 PolarHBondContact O-N 3.39Å; N522-L525 PolarHBondContact O-N 3.41Å; N522-L525 WeakPolarHBondContact OD1-CB 3.14Å; N522-L525 PolarHBondContact OD1-N 3.08Å; N522-A526 PolarHBondContact O-N 3.17Å
523Q90.8Very high93.7Very high49 Ų4919.5 Ų19.523%0.22910%0.098CC..Hα-helixtrans-58.5-39.3-178.1-174.65948.100112.1L525 A526 D527Q523-L525 PolarHBondContact O-N 3.38Å; Q523-A526 WeakPolarHBondContact O-CB 3.3Å; Q523-A526 PolarHBondContact O-N 3.13Å; Q523-D527 VanDerWaalsContact NE2-CG 3.27Å; Q523-D527 PolarHBondContact NE2-OD1 3.32Å; Q523-D527 PolarHBondContact NE2-OD2 3.01Å; Q523-D527 WeakPolarHBondContact O-CB 3.4Å; Q523-D527 PolarHBondContact O-N 3.37Å
524E92.7Very high93.6Very high60 Ų6019.5 Ų19.528%0.2810%0.098SC..Hα-helixtrans-60.6-45.1178.8-167.5176.5160.400112.1P446 C447 F448 N522 Y528 K681P446-E524 VanDerWaalsContact CA-OE1 3.28Å; P446-E524 WeakPolarHBondContact CA-OE1 3.27Å; P446-E524 VanDerWaalsContact CB-OE1 3.22Å; P446-E524 WeakPolarHBondContact CB-OE1 3.23Å; C447-E524 PolarHBondContact N-OE1 2.93Å; F448-E524 HydrophobicContact CD1-CG 4.44Å; F448-E524 HydrophobicContact CE1-CG 4.18Å; N522-E524 VanDerWaalsContact C-N 3.27Å; N522-E524 PolarHBondContact O-N 3.39Å; E524-Y528 PolarHBondContact O-N 2.83Å; E524-Y528 VanDerWaalsContact O-N 3.09Å; E524-K681 IonicContact OE2-NZ 3.97Å
525L95.5Very high93.6Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-69.7-37.9175-178.656.2000111.9L431 F448 F497 V500 M521 N522 Q523 D527 Y528 C529L431-L525 HydrophobicContact CD1-CD2 4.1Å; L431-L525 HydrophobicContact CD2-CD2 4.31Å; F448-L525 HydrophobicContact CB-CB 4.37Å; F448-L525 HydrophobicContact CB-CD1 4.16Å; F448-L525 HydrophobicContact CB-CD2 4.31Å; F448-L525 HydrophobicContact CD1-CB 3.83Å; F448-L525 HydrophobicContact CD1-CD1 3.93Å; F448-L525 HydrophobicContact CD1-CG 4.44Å; F448-L525 HydrophobicContact CD2-CD1 4.1Å; F448-L525 HydrophobicContact CE1-CB 4.47Å; F448-L525 HydrophobicContact CE1-CD1 4.3Å; F448-L525 HydrophobicContact CE2-CD1 4.44Å; F448-L525 HydrophobicContact CG-CB 4.3Å; F448-L525 HydrophobicContact CG-CD1 3.82Å; F497-L525 HydrophobicContact CD1-CD2 4.5Å; F497-L525 HydrophobicContact CE1-CD2 3.94Å; V500-L525 HydrophobicContact CG1-CD1 4.15Å; V500-L525 HydrophobicContact CG2-CD1 4.48Å; M521-L525 HydrophobicContact CB-CB 4.19Å; M521-L525 HydrophobicContact CB-CD2 3.83Å; M521-L525 HydrophobicContact CB-CG 4.16Å; M521-L525 HydrophobicContact CG-CB 4.42Å; M521-L525 HydrophobicContact CG-CG 4.39Å; M521-L525 HydrophobicContact SD-CB 4.17Å; M521-L525 HydrophobicContact SD-CD2 4.13Å; M521-L525 HydrophobicContact SD-CG 3.69Å; N522-L525 PolarHBondContact O-N 3.41Å; N522-L525 WeakPolarHBondContact OD1-CB 3.14Å; N522-L525 PolarHBondContact OD1-N 3.08Å; Q523-L525 PolarHBondContact O-N 3.38Å; L525-D527 VanDerWaalsContact C-N 3.29Å; L525-D527 PolarHBondContact O-N 3.22Å; L525-Y528 HydrophobicContact CD1-CD1 4.03Å; L525-Y528 WeakPolarHBondContact O-CB 3.34Å; L525-Y528 PolarHBondContact O-N 3.02Å; L525-C529 PolarHBondContact O-N 2.94Å; L525-C529 VanDerWaalsContact O-N 3.09Å; L525-C529 PolarHBondContact O-SG 3.5Å
526A94.5Very high93.7Very high3 Ų319.3 Ų19.33%0.02510%0.098CC..Hα-helixtrans-61.2-40177.200000112.2M521 N522 Q523 C529 V719 G722M521-A526 HydrophobicContact CG-CB 4.02Å; M521-A526 HydrophobicContact SD-CB 4.09Å; N522-A526 PolarHBondContact O-N 3.17Å; Q523-A526 WeakPolarHBondContact O-CB 3.3Å; Q523-A526 PolarHBondContact O-N 3.13Å; A526-C529 PolarHBondContact O-N 3.24Å; A526-V719 HydrophobicContact CB-CG2 3.58Å; A526-G722 PolarHBondContact O-N 3.48Å
527D91.8Very high93.8Very high59 Ų5919.3 Ų19.332%0.31610%0.098SC..Hα-helixtrans-68.5-41.3176-71.5-36.5000111.9Q523 L525 C529 K530Q523-D527 VanDerWaalsContact NE2-CG 3.27Å; Q523-D527 PolarHBondContact NE2-OD1 3.32Å; Q523-D527 PolarHBondContact NE2-OD2 3.01Å; Q523-D527 WeakPolarHBondContact O-CB 3.4Å; Q523-D527 PolarHBondContact O-N 3.37Å; L525-D527 VanDerWaalsContact C-N 3.29Å; L525-D527 PolarHBondContact O-N 3.22Å; D527-C529 PolarHBondContact O-N 3.21Å; D527-K530 WeakPolarHBondContact O-CB 2.96Å; D527-K530 WeakPolarHBondContact O-CG 3.37Å; D527-K530 PolarHBondContact O-N 3.17Å; D527-K530 WeakPolarHBondContact OD1-CE 3.37Å; D527-K530 IonicContact OD1-NZ 2.68Å; D527-K530 PolarHBondContact OD1-NZ 2.98Å
528Y94.2Very high93.9Very high53 Ų5319.7 Ų19.721%0.20810%0.099CC..Hα-helixtrans-57.3-32.8172.7175.1-102.6000112.7V434 V438 F448 V500 E524 L525 P531 F532V434-Y528 HydrophobicContact CG1-CE1 4.14Å; V438-Y528 HydrophobicContact CG2-CD2 4.42Å; V438-Y528 HydrophobicContact CG2-CE2 3.57Å; F448-Y528 HydrophobicContact CE1-CG 4.25Å; F448-Y528 HydrophobicContact CE2-CD1 4.19Å; F448-Y528 HydrophobicContact CE2-CD2 4.45Å; F448-Y528 HydrophobicContact CE2-CE1 4.4Å; F448-Y528 HydrophobicContact CE2-CG 4.21Å; F448-Y528 HydrophobicContact CZ-CD1 4.01Å; F448-Y528 AromaticContact CZ-CD2 3.83Å; F448-Y528 HydrophobicContact CZ-CD2 3.83Å; F448-Y528 HydrophobicContact CZ-CE2 4.42Å; F448-Y528 AromaticContact CZ-CG 3.6Å; F448-Y528 HydrophobicContact CZ-CG 3.6Å; V500-Y528 HydrophobicContact CG1-CE1 4.3Å; E524-Y528 PolarHBondContact O-N 2.83Å; E524-Y528 VanDerWaalsContact O-N 3.09Å; L525-Y528 HydrophobicContact CD1-CD1 4.03Å; L525-Y528 WeakPolarHBondContact O-CB 3.34Å; L525-Y528 PolarHBondContact O-N 3.02Å; Y528-P531 VanDerWaalsContact O-CD 3.27Å; Y528-P531 WeakPolarHBondContact O-CD 3.04Å; Y528-F532 HydrophobicContact CD1-CE1 4.4Å; Y528-F532 HydrophobicContact CD1-CZ 4.35Å; Y528-F532 HydrophobicContact CE1-CE1 4.14Å; Y528-F532 HydrophobicContact CE1-CZ 4.08Å
529C95.3Very high94Very high0 Ų019.9 Ų19.90%010%0.1CC..THydrogen-bonded Turntrans-78.2-14.4-178.2-63.90000114.6V500 L525 A526 D527 F532 L533V500-C529 WeakPolarHBondContact CG2-SG 3.45Å; L525-C529 PolarHBondContact O-N 2.94Å; L525-C529 VanDerWaalsContact O-N 3.09Å; L525-C529 PolarHBondContact O-SG 3.5Å; A526-C529 PolarHBondContact O-N 3.24Å; D527-C529 PolarHBondContact O-N 3.21Å; C529-F532 HydrophobicContact CB-CZ 4.37Å; C529-F532 PolarHBondContact O-N 3.47Å; C529-F532 VanDerWaalsContact O-N 3.13Å; C529-L533 HydrophobicContact CB-CB 3.86Å; C529-L533 HydrophobicContact CB-CD2 3.78Å; C529-L533 HydrophobicContact CB-CG 4.46Å; C529-L533 WeakPolarHBondContact O-CB 3.27Å; C529-L533 PolarHBondContact O-N 3.1Å
530K93.4Very high94.2Very high85 Ų8520 Ų2037%0.3710%0.1SC..THydrogen-bonded Turntrans-51.1-40-175.2-74.2175.8177.3165.60115.2D527 F532 L723D527-K530 WeakPolarHBondContact O-CB 2.96Å; D527-K530 WeakPolarHBondContact O-CG 3.37Å; D527-K530 PolarHBondContact O-N 3.17Å; D527-K530 WeakPolarHBondContact OD1-CE 3.37Å; D527-K530 IonicContact OD1-NZ 2.68Å; D527-K530 PolarHBondContact OD1-NZ 2.98Å; K530-F532 PolarHBondContact O-N 3.24Å; K530-L723 HydrophobicContact CB-CD2 4.42Å; K530-L723 HydrophobicContact CG-CD2 4.45Å
531P92.8Very high94.3Very high83 Ų8320 Ų2054%0.53910%0.1SC..THydrogen-bonded Turntrans-67.9-18.5-177.4-22.635.6000114.8K510 Y528K510-P531 PolarHBondContact NZ-O 3.43Å; Y528-P531 VanDerWaalsContact O-CD 3.27Å; Y528-P531 WeakPolarHBondContact O-CD 3.04Å
532F95.5Very high94.2Very high3 Ų320.3 Ų20.31%0.01310%0.102CC..THydrogen-bonded Turntrans-138.8-5.7-170.764.5-94.7000115.6V500 H503 V509 K510 G511 Y528 C529 K530V500-F532 HydrophobicContact CG2-CE2 4.14Å; V500-F532 HydrophobicContact CG2-CZ 4.13Å; H503-F532 HydrophobicContact CB-CE1 4.48Å; H503-F532 HydrophobicContact CB-CE2 4.23Å; H503-F532 HydrophobicContact CB-CZ 4.17Å; H503-F532 AromaticContact CD2-CE1 3.85Å; H503-F532 AromaticContact CE1-CD1 3.79Å; H503-F532 AromaticContact CG-CE1 3.9Å; H503-F532 AromaticContact ND1-CD1 3.78Å; H503-F532 AromaticContact ND1-CG 3.95Å; V509-F532 WeakPolarHBondContact O-CB 3.31Å; K510-F532 CarbonylContact C-O 3.54Å; K510-F532 WeakPolarHBondContact CA-O 3.44Å; K510-F532 HydrophobicContact CD-CB 4.16Å; G511-F532 PolarHBondContact N-O 2.9Å; Y528-F532 HydrophobicContact CD1-CE1 4.4Å; Y528-F532 HydrophobicContact CD1-CZ 4.35Å; Y528-F532 HydrophobicContact CE1-CE1 4.14Å; Y528-F532 HydrophobicContact CE1-CZ 4.08Å; C529-F532 HydrophobicContact CB-CZ 4.37Å; C529-F532 PolarHBondContact O-N 3.47Å; C529-F532 VanDerWaalsContact O-N 3.13Å; K530-F532 PolarHBondContact O-N 3.24Å
533L96.8Very high94Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-118.5133.6179.5-17663.6000110.9A513 C529 G722 L723A513-L533 HydrophobicContact CB-CD1 4.33Å; C529-L533 HydrophobicContact CB-CB 3.86Å; C529-L533 HydrophobicContact CB-CD2 3.78Å; C529-L533 HydrophobicContact CB-CG 4.46Å; C529-L533 WeakPolarHBondContact O-CB 3.27Å; C529-L533 PolarHBondContact O-N 3.1Å; L533-G722 CarbonylContact O-C 3.54Å; L533-G722 VanDerWaalsContact O-CA 3.23Å; L533-G722 WeakPolarHBondContact O-CA 3.44Å; L533-L723 PolarHBondContact O-N 3.06Å
534L96.1Very high94.1Very high0 Ų017.7 Ų17.70%09%0.089CC..EExtended strand (participates in β ladder)trans-121.7121.3173.9174.866.2000110.2W299 L300 I305 G511 Y512 A513 I536 L723 L725 W794W299-L534 HydrophobicContact CH2-CB 4.09Å; W299-L534 HydrophobicContact CZ3-CB 3.63Å; L300-L534 HydrophobicContact CD2-CD1 4.4Å; L300-L534 HydrophobicContact CD2-CD2 3.99Å; I305-L534 HydrophobicContact CD1-CD2 3.81Å; I305-L534 HydrophobicContact CG1-CD2 4.15Å; G511-L534 PolarHBondContact O-N 3.22Å; Y512-L534 WeakPolarHBondContact CA-O 3.48Å; Y512-L534 HydrophobicContact CD1-CB 4.49Å; Y512-L534 HydrophobicContact CD1-CD2 4.05Å; Y512-L534 HydrophobicContact CE1-CD2 4.16Å; A513-L534 PolarHBondContact N-O 2.98Å; L534-I536 HydrophobicContact CD2-CD1 3.89Å; L534-I536 HydrophobicContact CD2-CG1 4.09Å; L534-I536 HydrophobicContact CG-CD1 3.79Å; L534-I536 HydrophobicContact CG-CG1 4.02Å; L534-L723 CarbonylContact C-O 3.55Å; L534-L723 HydrophobicContact CD1-CB 3.99Å; L534-L725 HydrophobicContact CD1-CB 4.13Å; L534-W794 HydrophobicContact CD1-CH2 3.75Å; L534-W794 HydrophobicContact CD1-CZ3 3.53Å
535S96.5Very high94.1Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-97.8120.6171.6-70.50000110.7A513 G721 L723 V724 L725A513-S535 CarbonylContact O-C 3.55Å; A513-S535 WeakPolarHBondContact O-CA 3.47Å; S535-G721 PolarHBondContact OG-O 2.61Å; S535-L723 PolarHBondContact N-O 2.96Å; S535-V724 CarbonylContact O-C 2.9Å; S535-V724 WeakPolarHBondContact O-CA 3.48Å; S535-L725 PolarHBondContact O-N 3.19Å
536I96.9Very high93.7Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-109.6117.8179.8-54.896.1000109.5Y512 A513 F514 S515 L534 L725 L727Y512-I536 HydrophobicContact CD1-CD1 4.47Å; A513-I536 PolarHBondContact O-N 3.35Å; F514-I536 HydrophobicContact CD1-CB 4.01Å; F514-I536 HydrophobicContact CD1-CD1 4.05Å; F514-I536 HydrophobicContact CD1-CG1 4.41Å; F514-I536 HydrophobicContact CD1-CG2 4.37Å; F514-I536 HydrophobicContact CD2-CD1 4.47Å; F514-I536 HydrophobicContact CE1-CB 4.28Å; F514-I536 HydrophobicContact CE1-CD1 3.81Å; F514-I536 HydrophobicContact CE1-CG1 4.23Å; F514-I536 HydrophobicContact CE2-CD1 4.25Å; F514-I536 HydrophobicContact CG-CD1 4.38Å; F514-I536 HydrophobicContact CZ-CD1 3.93Å; S515-I536 PolarHBondContact N-O 3.11Å; L534-I536 HydrophobicContact CD2-CD1 3.89Å; L534-I536 HydrophobicContact CD2-CG1 4.09Å; L534-I536 HydrophobicContact CG-CD1 3.79Å; L534-I536 HydrophobicContact CG-CG1 4.02Å; I536-L725 WeakPolarHBondContact CA-O 3.08Å; I536-L725 HydrophobicContact CG1-CB 4.47Å; I536-L727 HydrophobicContact CG2-CD1 3.77Å; I536-L727 HydrophobicContact CG2-CG 4Å
537I96.4Very high93.3Very high0 Ų014.9 Ų14.90%08%0.076CC..EExtended strand (participates in β ladder)trans-118.8142.9-177.3-51.4-54.8000110D541 A544 F720 L725 H726 L727 F800I537-D541 HydrophobicContact CG2-CB 4.15Å; I537-A544 HydrophobicContact CB-CB 4.39Å; I537-A544 HydrophobicContact CD1-CB 3.7Å; I537-A544 HydrophobicContact CG1-CB 4.11Å; I537-A544 HydrophobicContact CG2-CB 3.41Å; I537-A544 VanDerWaalsContact CG2-CB 3.41Å; I537-F720 HydrophobicContact CD1-CZ 4.48Å; I537-F720 HydrophobicContact CG1-CE1 4.47Å; I537-F720 HydrophobicContact CG1-CE2 4.28Å; I537-F720 HydrophobicContact CG1-CZ 4Å; I537-L725 PolarHBondContact N-O 2.65Å; I537-H726 CarbonylContact O-C 3.53Å; I537-H726 WeakPolarHBondContact O-CA 3.42Å; I537-H726 PolarHBondContact O-CD2 2.96Å; I537-L727 PolarHBondContact O-N 3.34Å; I537-F800 HydrophobicContact CB-CE1 4.06Å; I537-F800 HydrophobicContact CB-CZ 4.29Å; I537-F800 HydrophobicContact CG1-CE1 4.33Å; I537-F800 HydrophobicContact CG1-CZ 4.43Å; I537-F800 HydrophobicContact CG2-CD1 4.29Å; I537-F800 HydrophobicContact CG2-CE1 3.6Å; I537-F800 HydrophobicContact CG2-CZ 4.32Å
538Y95.3Very high93Very high10 Ų1016.2 Ų16.24%0.0398%0.079CC..EExtended strand (participates in β ladder)trans-113.9118.3179.4179.1-142.3000113.1Y540 D541 L727 D729 I790 H812 R817 I818 A821Y538-Y540 PolarHBondContact O-N 3.2Å; Y538-D541 PolarHBondContact O-N 2.97Å; Y538-L727 HydrophobicContact CD2-CB 3.87Å; Y538-L727 WeakPolarHBondContact CD2-O 3.5Å; Y538-D729 PolarHBondContact OH-OD1 2.94Å; Y538-D729 VanDerWaalsContact OH-OD1 3.06Å; Y538-I790 HydrophobicContact CE2-CD1 4.27Å; Y538-H812 HydrophobicContact CD1-CB 3.73Å; Y538-H812 AromaticContact CD1-CG 3.71Å; Y538-H812 AromaticContact CD1-ND1 3.98Å; Y538-H812 HydrophobicContact CE1-CB 4.21Å; Y538-H812 AromaticContact CE1-CD2 3.59Å; Y538-H812 AromaticContact CE1-CG 3.75Å; Y538-H812 AromaticContact CE1-NE2 3.85Å; Y538-H812 HydrophobicContact CG-CB 4.29Å; Y538-H812 AromaticContact CZ-CE1 3.84Å; Y538-H812 AromaticContact CZ-NE2 3.81Å; Y538-H812 WeakPolarHBondContact O-CB 3.48Å; Y538-H812 PolarHBondContact O-ND1 2.96Å; Y538-R817 HydrophobicContact CD1-CB 4.49Å; Y538-R817 HydrophobicContact CE1-CB 4.24Å; Y538-I818 HydrophobicContact CD1-CG1 4.46Å; Y538-A821 HydrophobicContact CD1-CB 4.29Å; Y538-A821 HydrophobicContact CD2-CB 3.91Å; Y538-A821 HydrophobicContact CE1-CB 4.14Å; Y538-A821 HydrophobicContact CE2-CB 3.78Å; Y538-A821 HydrophobicContact CG-CB 4.19Å
539G93.6Very high92.5Very high3 Ų316 Ų163%0.0319%0.085CC..THydrogen-bonded Turntrans45.2-118.1173.900000114.9D541 I665 H726 L727 H812G539-D541 PolarHBondContact O-N 3.33Å; G539-I665 VanDerWaalsContact O-CD1 3.29Å; G539-I665 WeakPolarHBondContact O-CD1 2.92Å; G539-H726 WeakPolarHBondContact CA-NE2 3.47Å; G539-H726 PolarHBondContact N-NE2 2.96Å; G539-H726 PolarHBondContact O-NE2 3.41Å; G539-L727 PolarHBondContact N-O 3.05Å; G539-H812 WeakPolarHBondContact CA-ND1 3.28Å
540Y92.8Very high92.1Very high5 Ų516.1 Ų16.12%0.029%0.086CC..THydrogen-bonded Turntrans-91.724.1-174.7-67-96000114.1T260 V264 G267 H268 Y538 I542 I665 L804 H806 M809 H812T260-Y540 HydrophobicContact CG2-CE1 4.4Å; V264-Y540 WeakPolarHBondContact CG1-OH 3.5Å; G267-Y540 PolarHBondContact O-OH 2.88Å; H268-Y540 HydrophobicContact CB-CE2 4.36Å; Y538-Y540 PolarHBondContact O-N 3.2Å; Y540-I542 PolarHBondContact O-N 3.17Å; Y540-I542 VanDerWaalsContact O-N 3.08Å; Y540-I665 HydrophobicContact CD1-CD1 3.62Å; Y540-I665 HydrophobicContact CD1-CG1 4.3Å; Y540-I665 HydrophobicContact CD2-CD1 3.69Å; Y540-I665 HydrophobicContact CE1-CB 4.44Å; Y540-I665 HydrophobicContact CE1-CD1 3.64Å; Y540-I665 HydrophobicContact CE1-CG1 3.93Å; Y540-I665 HydrophobicContact CE2-CD1 3.68Å; Y540-I665 HydrophobicContact CE2-CG1 4.47Å; Y540-I665 HydrophobicContact CG-CD1 3.65Å; Y540-L804 HydrophobicContact CD1-CB 4.09Å; Y540-L804 HydrophobicContact CD1-CD1 4.33Å; Y540-L804 HydrophobicContact CE1-CB 4.48Å; Y540-L804 HydrophobicContact CE1-CD1 4.27Å; Y540-H806 HydrophobicContact CD1-CB 3.49Å; Y540-H806 VanDerWaalsContact CD1-CB 3.49Å; Y540-H806 AromaticContact CD1-CG 3.79Å; Y540-H806 HydrophobicContact CD2-CB 4.27Å; Y540-H806 AromaticContact CD2-CG 3.77Å; Y540-H806 AromaticContact CD2-ND1 3.63Å; Y540-H806 HydrophobicContact CE1-CB 4.06Å; Y540-H806 HydrophobicContact CG-CB 3.6Å; Y540-H806 AromaticContact CG-CG 3.62Å; Y540-H806 AromaticContact CG-ND1 3.79Å; Y540-M809 WeakPolarHBondContact O-CA 3.11Å; Y540-M809 WeakPolarHBondContact O-CB 3.21Å; Y540-H812 PolarHBondContact N-ND1 3.18Å
541D93.2Very high91.7Very high0 Ų012.6 Ų12.60%07%0.071CC..  trans-46.9119.9178.3-173.1-17.6000111.5S515 I537 Y538 G539 F543 A544 R545 M809 H813S515-D541 WeakPolarHBondContact CB-OD2 3.25Å; S515-D541 PolarHBondContact OG-OD2 3.19Å; I537-D541 HydrophobicContact CG2-CB 4.15Å; Y538-D541 PolarHBondContact O-N 2.97Å; G539-D541 PolarHBondContact O-N 3.33Å; D541-F543 PolarHBondContact OD1-N 2.76Å; D541-A544 HydrophobicContact CB-CB 4.01Å; D541-R545 WeakPolarHBondContact O-CG 3.43Å; D541-M809 WeakPolarHBondContact CA-O 3.47Å; D541-H813 IonicContact OD1-CG 2.79Å; D541-H813 IonicContact OD1-ND1 3.8Å; D541-H813 PolarHBondContact OD1-ND1 3.4Å; D541-H813 VanDerWaalsContact OD1-ND1 3.09Å; D541-H813 IonicContact OD2-CG 2.68Å; D541-H813 IonicContact OD2-ND1 2.95Å; D541-H813 PolarHBondContact OD2-ND1 2.92Å
542I90.6Very high91.2Very high6 Ų611 Ų113%0.0316%0.062CC..SBendtrans-70.9-37.4-177.7-173171.9000111.9L234 Y540 A544 R545 M546 I803 M809 L810L234-I542 HydrophobicContact CD2-CD1 4.23Å; Y540-I542 PolarHBondContact O-N 3.17Å; Y540-I542 VanDerWaalsContact O-N 3.08Å; I542-A544 VanDerWaalsContact C-N 3.35Å; I542-A544 PolarHBondContact O-N 3.27Å; I542-R545 CarbonylContact O-C 3.56Å; I542-R545 WeakPolarHBondContact O-CA 3.44Å; I542-R545 WeakPolarHBondContact O-CB 3.23Å; I542-R545 PolarHBondContact O-N 3.17Å; I542-M546 HydrophobicContact CD1-SD 4.42Å; I542-M546 HydrophobicContact CG1-CG 4.2Å; I542-M546 HydrophobicContact CG1-SD 3.98Å; I542-M546 VanDerWaalsContact O-CG 3.29Å; I542-M546 WeakPolarHBondContact O-CG 3.15Å; I542-M546 PolarHBondContact O-N 3.07Å; I542-I803 HydrophobicContact CD1-CG2 4.3Å; I542-I803 HydrophobicContact CG1-CG2 4.21Å; I542-M809 HydrophobicContact CB-CB 4.27Å; I542-M809 HydrophobicContact CB-CG 4.3Å; I542-M809 HydrophobicContact CD1-CE 4.14Å; I542-M809 HydrophobicContact CD1-SD 4.21Å; I542-M809 PolarHBondContact N-O 2.85Å; I542-L810 HydrophobicContact CG2-CD2 3.79Å
543F89.3Confident90.7Very high2 Ų213.2 Ų13.21%0.0097%0.074CC..G310 helixtrans-71.2-36.8-175-64.9-83.4000111.1F417 T420 P517 L518 D541 R545 M546 L810 H813F417-F543 HydrophobicContact CB-CZ 4.34Å; F417-F543 HydrophobicContact CD1-CD1 4.5Å; F417-F543 AromaticContact CD1-CE1 3.52Å; F417-F543 HydrophobicContact CD1-CE1 3.52Å; F417-F543 AromaticContact CD1-CE2 3.59Å; F417-F543 HydrophobicContact CD1-CE2 3.59Å; F417-F543 AromaticContact CD1-CZ 2.98Å; F417-F543 HydrophobicContact CD1-CZ 2.98Å; F417-F543 HydrophobicContact CE1-CD2 4.17Å; F417-F543 HydrophobicContact CE1-CE1 4.08Å; F417-F543 AromaticContact CE1-CE2 3.26Å; F417-F543 HydrophobicContact CE1-CE2 3.26Å; F417-F543 AromaticContact CE1-CZ 3.23Å; F417-F543 HydrophobicContact CE1-CZ 3.23Å; F417-F543 HydrophobicContact CG-CE1 4.42Å; F417-F543 AromaticContact CG-CZ 3.86Å; F417-F543 HydrophobicContact CG-CZ 3.86Å; F417-F543 HydrophobicContact CZ-CE2 4.14Å; F417-F543 HydrophobicContact CZ-CZ 4.26Å; T420-F543 HydrophobicContact CG2-CD1 4.07Å; T420-F543 HydrophobicContact CG2-CE1 4.27Å; P517-F543 WeakPolarHBondContact CA-O 3.03Å; L518-F543 PolarHBondContact N-O 3.32Å; D541-F543 PolarHBondContact OD1-N 2.76Å; F543-R545 PolarHBondContact O-N 3.39Å; F543-M546 HydrophobicContact CD1-SD 4.04Å; F543-M546 HydrophobicContact CE1-SD 4.23Å; F543-M546 PolarHBondContact O-N 3.28Å; F543-M546 VanDerWaalsContact O-N 3.09Å; F543-L810 HydrophobicContact CE2-CD2 4.09Å; F543-L810 HydrophobicContact CZ-CD2 4.47Å; F543-H813 HydrophobicContact CD2-CB 3.96Å; F543-H813 AromaticContact CD2-CD2 3.56Å; F543-H813 AromaticContact CD2-CE1 3.57Å; F543-H813 AromaticContact CD2-CG 3.33Å; F543-H813 AromaticContact CD2-ND1 3.37Å; F543-H813 WeakPolarHBondContact CD2-ND1 3.39Å; F543-H813 AromaticContact CD2-NE2 3.69Å; F543-H813 HydrophobicContact CE2-CB 4.36Å; F543-H813 AromaticContact CE2-CD2 3.84Å; F543-H813 AromaticContact CE2-CG 3.92Å; F543-H813 AromaticContact CG-CE1 3.71Å; F543-H813 AromaticContact CG-ND1 3.84Å
544A92.6Very high90.3Very high0 Ų013.3 Ų13.30%07%0.074CC..G310 helixtrans-62.8-8.8170.500000113.6A516 L518 I537 D541 I542 F800A516-A544 WeakPolarHBondContact O-CA 3.41Å; L518-A544 WeakPolarHBondContact CB-O 3.47Å; I537-A544 HydrophobicContact CB-CB 4.39Å; I537-A544 HydrophobicContact CD1-CB 3.7Å; I537-A544 HydrophobicContact CG1-CB 4.11Å; I537-A544 HydrophobicContact CG2-CB 3.41Å; I537-A544 VanDerWaalsContact CG2-CB 3.41Å; D541-A544 HydrophobicContact CB-CB 4.01Å; I542-A544 VanDerWaalsContact C-N 3.35Å; I542-A544 PolarHBondContact O-N 3.27Å; A544-F800 HydrophobicContact CB-CD1 4.46Å; A544-F800 WeakPolarHBondContact O-CB 3.34Å
545R92.1Very high89.8Confident2 Ų214.6 Ų14.61%0.0088%0.08CC..G310 helixtrans-116.86.1178.1-61.9173.5-179.1-77.5-7.7113D541 I542 F543 T550 Q799 F800 T802 I803D541-R545 WeakPolarHBondContact O-CG 3.43Å; I542-R545 CarbonylContact O-C 3.56Å; I542-R545 WeakPolarHBondContact O-CA 3.44Å; I542-R545 WeakPolarHBondContact O-CB 3.23Å; I542-R545 PolarHBondContact O-N 3.17Å; F543-R545 PolarHBondContact O-N 3.39Å; R545-T550 WeakPolarHBondContact O-CB 2.98Å; R545-T550 PolarHBondContact O-OG1 2.71Å; R545-Q799 PolarHBondContact NH1-O 3.19Å; R545-Q799 VanDerWaalsContact NH1-O 3.13Å; R545-F800 VanDerWaalsContact CA-O 3.27Å; R545-F800 WeakPolarHBondContact CA-O 3.39Å; R545-F800 WeakPolarHBondContact CB-O 3.42Å; R545-F800 HydrophobicContact CG-CB 4.1Å; R545-F800 HydrophobicContact CG-CD1 4.04Å; R545-F800 WeakPolarHBondContact CG-O 3.38Å; R545-T802 WeakPolarHBondContact CD-O 3.39Å; R545-I803 HydrophobicContact CB-CG1 4.4Å; R545-I803 WeakPolarHBondContact O-CG1 3.43Å
546M87.9Confident89.3Confident1 Ų116.5 Ų16.51%0.0059%0.087CC..  trans-102.8117.4-176.7-80.9176.270.700112.2L234 I421 L424 L518 G519 I542 F543 T550 I551 I803L234-M546 HydrophobicContact CD1-CE 3.53Å; L234-M546 HydrophobicContact CD1-SD 4.26Å; I421-M546 HydrophobicContact CG1-CE 4.31Å; L424-M546 HydrophobicContact CD1-CB 4.31Å; L424-M546 HydrophobicContact CD1-CE 4.26Å; L518-M546 WeakPolarHBondContact CB-O 3.39Å; L518-M546 PolarHBondContact N-O 3.32Å; G519-M546 PolarHBondContact N-O 3.39Å; I542-M546 HydrophobicContact CD1-SD 4.42Å; I542-M546 HydrophobicContact CG1-CG 4.2Å; I542-M546 HydrophobicContact CG1-SD 3.98Å; I542-M546 VanDerWaalsContact O-CG 3.29Å; I542-M546 WeakPolarHBondContact O-CG 3.15Å; I542-M546 PolarHBondContact O-N 3.07Å; F543-M546 HydrophobicContact CD1-SD 4.04Å; F543-M546 HydrophobicContact CE1-SD 4.23Å; F543-M546 PolarHBondContact O-N 3.28Å; F543-M546 VanDerWaalsContact O-N 3.09Å; M546-T550 WeakPolarHBondContact CA-OG1 3.46Å; M546-I551 HydrophobicContact CB-CD1 4.43Å; M546-I551 HydrophobicContact CB-CG1 4.47Å; M546-I551 HydrophobicContact CE-CD1 3.64Å; M546-I551 HydrophobicContact CE-CG1 4.05Å; M546-I551 HydrophobicContact CG-CG1 4.28Å; M546-I803 HydrophobicContact CG-CD1 3.85Å; M546-I803 HydrophobicContact CG-CG1 4.4Å
547N87.1Confident88.8Confident1 Ų116.7 Ų16.71%0.0059%0.088CC..SBendtrans-139.2178.4159.969.416.8000108.4L518 S549 T550 I551 S716 S718L518-N547 HydrophobicContact CB-CB 4.42Å; L518-N547 HydrophobicContact CD2-CB 4.46Å; L518-N547 HydrophobicContact CG-CB 4.44Å; N547-S549 VanDerWaalsContact C-N 3.29Å; N547-S549 PolarHBondContact O-N 2.95Å; N547-S549 WeakPolarHBondContact OD1-CB 3.39Å; N547-S549 PolarHBondContact OD1-N 3.08Å; N547-S549 VanDerWaalsContact OD1-N 3.09Å; N547-T550 PolarHBondContact N-OG1 3.27Å; N547-T550 PolarHBondContact O-N 3.36Å; N547-T550 PolarHBondContact O-OG1 3.43Å; N547-T550 WeakPolarHBondContact OD1-CG2 3.5Å; N547-T550 PolarHBondContact OD1-N 3.21Å; N547-T550 PolarHBondContact OD1-OG1 3.25Å; N547-I551 WeakPolarHBondContact O-CB 3.23Å; N547-I551 WeakPolarHBondContact O-CD1 3.21Å; N547-I551 WeakPolarHBondContact O-CG1 2.91Å; N547-I551 PolarHBondContact O-N 3.5Å; N547-S716 PolarHBondContact ND2-O 3.2Å; N547-S716 PolarHBondContact OD1-O 2.82Å; N547-S718 PolarHBondContact ND2-O 3.22Å
548K83.8Confident88.6Confident86 Ų8616.7 Ų16.737%0.3749%0.088SC..Hα-helixtrans-57.6-40-178.4177.1-178.7-179.9-172.40112.5D427 S552 D714D427-K548 IonicContact OD1-NZ 2.96Å; K548-S552 WeakPolarHBondContact O-CB 3.33Å; K548-S552 PolarHBondContact O-N 2.86Å; K548-D714 IonicContact NZ-OD1 3.75Å; K548-D714 PolarHBondContact NZ-OD1 2.94Å
549S83.9Confident88.1Confident49 Ų4917.4 Ų17.434%0.3439%0.092SC..Hα-helixtrans-66.4-49.6176.6-178.60000112.7N547 I551 S552 D553 S716 N717N547-S549 VanDerWaalsContact C-N 3.29Å; N547-S549 PolarHBondContact O-N 2.95Å; N547-S549 WeakPolarHBondContact OD1-CB 3.39Å; N547-S549 PolarHBondContact OD1-N 3.08Å; N547-S549 VanDerWaalsContact OD1-N 3.09Å; S549-I551 VanDerWaalsContact C-N 3.35Å; S549-I551 PolarHBondContact O-N 3.04Å; S549-S552 WeakPolarHBondContact O-CB 3.46Å; S549-S552 PolarHBondContact O-N 3.13Å; S549-D553 PolarHBondContact O-N 3.01Å; S549-S716 WeakPolarHBondContact CB-O 3.35Å; S549-S716 PolarHBondContact N-O 3.46Å; S549-S716 VanDerWaalsContact N-O 3.12Å; S549-N717 WeakPolarHBondContact CB-OD1 3.38Å; S549-N717 PolarHBondContact OG-OD1 3.47Å
550T86.9Confident87.7Confident3 Ų318 Ų182%0.0189%0.094CC..Hα-helixtrans-70.1-30.4-177.265.30000113.2L518 R545 M546 N547 F554 Q801L518-T550 HydrophobicContact CD2-CG2 4.21Å; R545-T550 WeakPolarHBondContact O-CB 2.98Å; R545-T550 PolarHBondContact O-OG1 2.71Å; M546-T550 WeakPolarHBondContact CA-OG1 3.46Å; N547-T550 PolarHBondContact N-OG1 3.27Å; N547-T550 PolarHBondContact O-N 3.36Å; N547-T550 PolarHBondContact O-OG1 3.43Å; N547-T550 WeakPolarHBondContact OD1-CG2 3.5Å; N547-T550 PolarHBondContact OD1-N 3.21Å; N547-T550 PolarHBondContact OD1-OG1 3.25Å; T550-F554 VanDerWaalsContact O-CB 3.22Å; T550-F554 WeakPolarHBondContact O-CB 3.11Å; T550-F554 PolarHBondContact O-N 2.91Å; T550-Q801 HydrophobicContact CG2-CB 4.3Å; T550-Q801 WeakPolarHBondContact CG2-O 3.44Å
551I85.6Confident87.5Confident11 Ų1117.8 Ų17.86%0.0569%0.094CC..Hα-helixtrans-66.6-44172.5-70.6167.5000110.2I238 L425 M546 N547 S549 F554 K555 I803I238-I551 HydrophobicContact CB-CG2 4.47Å; I238-I551 HydrophobicContact CD1-CG2 4.05Å; I238-I551 HydrophobicContact CG1-CG2 3.78Å; I238-I551 HydrophobicContact CG2-CG2 4.06Å; L425-I551 HydrophobicContact CD2-CD1 3.77Å; M546-I551 HydrophobicContact CB-CD1 4.43Å; M546-I551 HydrophobicContact CB-CG1 4.47Å; M546-I551 HydrophobicContact CE-CD1 3.64Å; M546-I551 HydrophobicContact CE-CG1 4.05Å; M546-I551 HydrophobicContact CG-CG1 4.28Å; N547-I551 WeakPolarHBondContact O-CB 3.23Å; N547-I551 WeakPolarHBondContact O-CD1 3.21Å; N547-I551 WeakPolarHBondContact O-CG1 2.91Å; N547-I551 PolarHBondContact O-N 3.5Å; S549-I551 VanDerWaalsContact C-N 3.35Å; S549-I551 PolarHBondContact O-N 3.04Å; I551-F554 PolarHBondContact O-N 3.41Å; I551-K555 WeakPolarHBondContact O-CB 3.3Å; I551-K555 PolarHBondContact O-N 2.97Å; I551-I803 HydrophobicContact CG1-CD1 4.26Å
552S82.4Confident87.3Confident50 Ų5017.9 Ų17.935%0.359%0.094SC..Hα-helixtrans-62.1-49.7176-171.60000111K548 S549 F554 K555 W556K548-S552 WeakPolarHBondContact O-CB 3.33Å; K548-S552 PolarHBondContact O-N 2.86Å; S549-S552 WeakPolarHBondContact O-CB 3.46Å; S549-S552 PolarHBondContact O-N 3.13Å; S552-F554 VanDerWaalsContact C-N 3.35Å; S552-F554 PolarHBondContact O-N 2.77Å; S552-K555 WeakPolarHBondContact O-CB 3.1Å; S552-K555 PolarHBondContact O-N 2.97Å; S552-W556 PolarHBondContact O-N 2.85Å
553D84.5Confident87Confident48 Ų4819.1 Ų19.126%0.25710%0.104SC..Hα-helixtrans-55.7-47.4174.9166.766.8000111.8S549 K555 W556 R557S549-D553 PolarHBondContact O-N 3.01Å; D553-K555 PolarHBondContact O-N 2.87Å; D553-W556 PolarHBondContact O-N 3.43Å; D553-R557 WeakPolarHBondContact O-CB 3.46Å; D553-R557 WeakPolarHBondContact O-CG 3.4Å; D553-R557 PolarHBondContact O-N 2.83Å; D553-R557 IonicContact OD1-NE 3.61Å; D553-R557 PolarHBondContact OD1-NE 2.9Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 IonicContact OD2-NE 3.98Å; D553-R557 PolarHBondContact OD2-NE 3.37Å; D553-R557 IonicContact OD2-NH2 2.77Å; D553-R557 PolarHBondContact OD2-NH2 3.07Å
554F88.7Confident86.8Confident3 Ų319.3 Ų19.31%0.01311%0.106CC..Hα-helixtrans-58.5-45.6176.2167.1-105.7000112.8F235 I238 F239 L253 L256 T550 I551 S552 W556 R557 L558 I803 I805F235-F554 HydrophobicContact CD1-CE1 4.22Å; F235-F554 HydrophobicContact CD1-CZ 4.43Å; F235-F554 AromaticContact CE1-CE1 3.82Å; F235-F554 HydrophobicContact CE1-CE1 3.82Å; F235-F554 AromaticContact CE1-CZ 3.7Å; F235-F554 HydrophobicContact CE1-CZ 3.7Å; I238-F554 HydrophobicContact CD1-CD1 4.43Å; I238-F554 HydrophobicContact CD1-CE1 4.45Å; I238-F554 HydrophobicContact CG2-CD1 4.36Å; F239-F554 AromaticContact CE2-CE1 3.8Å; F239-F554 HydrophobicContact CE2-CE1 3.8Å; F239-F554 HydrophobicContact CE2-CZ 4.39Å; F239-F554 HydrophobicContact CZ-CD1 4.46Å; F239-F554 AromaticContact CZ-CE1 3.85Å; F239-F554 HydrophobicContact CZ-CE1 3.85Å; F239-F554 HydrophobicContact CZ-CZ 4.34Å; L253-F554 HydrophobicContact CD2-CE2 4.18Å; L253-F554 HydrophobicContact CD2-CZ 3.92Å; L256-F554 HydrophobicContact CD1-CD2 3.81Å; L256-F554 HydrophobicContact CD1-CE2 3.4Å; L256-F554 VanDerWaalsContact CD1-CE2 3.4Å; L256-F554 HydrophobicContact CD1-CZ 4.37Å; T550-F554 VanDerWaalsContact O-CB 3.22Å; T550-F554 WeakPolarHBondContact O-CB 3.11Å; T550-F554 PolarHBondContact O-N 2.91Å; I551-F554 PolarHBondContact O-N 3.41Å; S552-F554 VanDerWaalsContact C-N 3.35Å; S552-F554 PolarHBondContact O-N 2.77Å; F554-W556 PolarHBondContact O-N 3.35Å; F554-R557 PolarHBondContact O-N 2.83Å; F554-L558 HydrophobicContact CE2-CD1 4.44Å; F554-L558 HydrophobicContact CZ-CD1 4Å; F554-L558 WeakPolarHBondContact O-CB 3.48Å; F554-L558 PolarHBondContact O-N 3.39Å; F554-I803 HydrophobicContact CB-CB 4.14Å; F554-I803 HydrophobicContact CB-CD1 3.79Å; F554-I803 HydrophobicContact CB-CG1 4.44Å; F554-I803 HydrophobicContact CD2-CB 4.38Å; F554-I803 HydrophobicContact CD2-CG2 3.97Å; F554-I803 HydrophobicContact CG-CB 4.42Å; F554-I803 HydrophobicContact CG-CD1 4.18Å; F554-I803 HydrophobicContact CG-CG2 4.26Å; F554-I805 HydrophobicContact CD2-CD1 4.21Å; F554-I805 HydrophobicContact CE2-CD1 3.56Å; F554-I805 HydrophobicContact CE2-CG1 3.98Å; F554-I805 HydrophobicContact CZ-CD1 4.28Å
555K86.7Confident86.5Confident26 Ų2619.4 Ų19.411%0.11311%0.106CC..Hα-helixtrans-56.8-51.9178.3-176.9178.974.3175.90110.6I238 F239 D241 V242 I551 S552 D553 L558 I559I238-K555 HydrophobicContact CG2-CB 4.08Å; I238-K555 HydrophobicContact CG2-CG 4.35Å; I238-K555 WeakPolarHBondContact O-CD 3.36Å; F239-K555 HydrophobicContact CD1-CD 4.47Å; F239-K555 HydrophobicContact CD1-CG 3.8Å; F239-K555 HydrophobicContact CE1-CB 4.16Å; F239-K555 HydrophobicContact CE1-CG 3.58Å; F239-K555 HydrophobicContact CZ-CG 4.38Å; D241-K555 IonicContact OD1-NZ 3.86Å; D241-K555 IonicContact OD2-NZ 3.62Å; D241-K555 PolarHBondContact OD2-NZ 3.36Å; V242-K555 HydrophobicContact CG2-CD 4.4Å; I551-K555 WeakPolarHBondContact O-CB 3.3Å; I551-K555 PolarHBondContact O-N 2.97Å; S552-K555 WeakPolarHBondContact O-CB 3.1Å; S552-K555 PolarHBondContact O-N 2.97Å; D553-K555 PolarHBondContact O-N 2.87Å; K555-L558 WeakPolarHBondContact O-CB 3.15Å; K555-L558 PolarHBondContact O-N 3.3Å; K555-I559 HydrophobicContact CG-CD1 4.11Å; K555-I559 WeakPolarHBondContact O-CG1 3.25Å; K555-I559 PolarHBondContact O-N 3.49Å; K555-I559 VanDerWaalsContact O-N 3.14Å
556W84.4Confident86.2Confident41 Ų4125.4 Ų25.416%0.15513%0.132CC..Hα-helixtrans-71.3-35.3-177.3-66.1119000112.9S552 D553 F554 L558 I559 D560 P622 Q623 M631S552-W556 PolarHBondContact O-N 2.85Å; D553-W556 PolarHBondContact O-N 3.43Å; F554-W556 PolarHBondContact O-N 3.35Å; W556-L558 VanDerWaalsContact C-N 3.3Å; W556-L558 PolarHBondContact O-N 3.41Å; W556-I559 HydrophobicContact CE3-CD1 3.79Å; W556-I559 HydrophobicContact CZ3-CD1 3.93Å; W556-I559 PolarHBondContact O-N 3.28Å; W556-D560 WeakPolarHBondContact O-CB 3.47Å; W556-D560 PolarHBondContact O-N 3.36Å; W556-P622 HydrophobicContact CB-CB 3.2Å; W556-P622 HydrophobicContact CB-CG 4.48Å; W556-P622 HydrophobicContact CG-CB 4.3Å; W556-Q623 VanDerWaalsContact CD2-NE2 3.3Å; W556-Q623 VanDerWaalsContact CG-NE2 3.28Å; W556-M631 HydrophobicContact CH2-CE 4.17Å
557R87.7Confident86.1Confident3 Ų326.1 Ų26.11%0.01114%0.137CC..Hα-helixtrans-60.7-39.9171.1-79-168.1-72.5132.7-3.8112.1L256 D553 F554 A561 P622 I803L256-R557 HydrophobicContact CD2-CB 4.05Å; D553-R557 WeakPolarHBondContact O-CB 3.46Å; D553-R557 WeakPolarHBondContact O-CG 3.4Å; D553-R557 PolarHBondContact O-N 2.83Å; D553-R557 IonicContact OD1-NE 3.61Å; D553-R557 PolarHBondContact OD1-NE 2.9Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 IonicContact OD2-NE 3.98Å; D553-R557 PolarHBondContact OD2-NE 3.37Å; D553-R557 IonicContact OD2-NH2 2.77Å; D553-R557 PolarHBondContact OD2-NH2 3.07Å; F554-R557 PolarHBondContact O-N 2.83Å; R557-A561 WeakPolarHBondContact O-CB 3.49Å; R557-A561 PolarHBondContact O-N 2.83Å; R557-P622 HydrophobicContact CG-CG 4.1Å; R557-I803 PolarHBondContact NH1-O 3.43Å; R557-I803 PolarHBondContact NH2-O 2.7Å
558L90.8Very high86.2Confident0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-63.3-44.1176.6-170.1142.4000111F239 L244 I249 L253 L256 F554 K555 W556 A561 L562F239-L558 HydrophobicContact CE1-CB 4.18Å; F239-L558 HydrophobicContact CE1-CD1 4.5Å; F239-L558 HydrophobicContact CE1-CD2 3.88Å; F239-L558 HydrophobicContact CE1-CG 4.39Å; F239-L558 HydrophobicContact CE2-CD1 4.25Å; F239-L558 HydrophobicContact CZ-CB 3.91Å; F239-L558 HydrophobicContact CZ-CD1 3.71Å; F239-L558 HydrophobicContact CZ-CD2 3.91Å; F239-L558 HydrophobicContact CZ-CG 4.04Å; L244-L558 HydrophobicContact CD1-CD2 4.13Å; I249-L558 HydrophobicContact CG2-CD1 4.45Å; L253-L558 HydrophobicContact CD2-CD1 4.42Å; L253-L558 HydrophobicContact CG-CD1 4.35Å; L256-L558 HydrophobicContact CD1-CB 3.82Å; L256-L558 HydrophobicContact CD1-CD1 4.16Å; L256-L558 HydrophobicContact CD1-CG 4.24Å; F554-L558 HydrophobicContact CE2-CD1 4.44Å; F554-L558 HydrophobicContact CZ-CD1 4Å; F554-L558 WeakPolarHBondContact O-CB 3.48Å; F554-L558 PolarHBondContact O-N 3.39Å; K555-L558 WeakPolarHBondContact O-CB 3.15Å; K555-L558 PolarHBondContact O-N 3.3Å; W556-L558 VanDerWaalsContact C-N 3.3Å; W556-L558 PolarHBondContact O-N 3.41Å; L558-A561 PolarHBondContact O-N 3.12Å; L558-L562 HydrophobicContact CD2-CD1 3.64Å; L558-L562 HydrophobicContact CD2-CG 4.29Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.28Å
559I86.4Confident86.4Confident25 Ų2523.2 Ų23.213%0.12813%0.127CC..Hα-helixtrans-67.3-46.8179.9-64.7163.5000111V242 L244 K555 W556 A561 L562 S563V242-I559 HydrophobicContact CG1-CD1 4.18Å; V242-I559 HydrophobicContact CG2-CD1 3.92Å; L244-I559 HydrophobicContact CD1-CG1 4.39Å; K555-I559 HydrophobicContact CG-CD1 4.11Å; K555-I559 WeakPolarHBondContact O-CG1 3.25Å; K555-I559 PolarHBondContact O-N 3.49Å; K555-I559 VanDerWaalsContact O-N 3.14Å; W556-I559 HydrophobicContact CE3-CD1 3.79Å; W556-I559 HydrophobicContact CZ3-CD1 3.93Å; W556-I559 PolarHBondContact O-N 3.28Å; I559-A561 VanDerWaalsContact C-N 3.32Å; I559-A561 PolarHBondContact O-N 3.42Å; I559-L562 PolarHBondContact O-N 3.33Å; I559-S563 PolarHBondContact O-N 2.99Å
560D84.4Confident86.6Confident15 Ų1522.9 Ų22.98%0.0812%0.119CC..Hα-helixtrans-59.4-44.3176.2-178.838000110.5W556 L562 S563 A564 R616 S620 I621W556-D560 WeakPolarHBondContact O-CB 3.47Å; W556-D560 PolarHBondContact O-N 3.36Å; D560-L562 VanDerWaalsContact C-N 3.34Å; D560-L562 PolarHBondContact O-N 3.15Å; D560-S563 PolarHBondContact O-N 3.2Å; D560-S563 PolarHBondContact O-OG 3.2Å; D560-A564 WeakPolarHBondContact O-CB 2.76Å; D560-A564 PolarHBondContact O-N 3.45Å; D560-R616 IonicContact OD1-CZ 3.9Å; D560-R616 IonicContact OD1-NE 2.83Å; D560-R616 PolarHBondContact OD1-NE 3.41Å; D560-R616 IonicContact OD1-NH2 3Å; D560-R616 PolarHBondContact OD1-NH2 2.66Å; D560-S620 WeakPolarHBondContact OD2-CA 3.11Å; D560-S620 WeakPolarHBondContact OD2-CB 3.22Å; D560-I621 PolarHBondContact OD2-N 3.17Å; D560-I621 VanDerWaalsContact OD2-N 3.14Å
561A88.9Confident86.5Confident2 Ų229.7 Ų29.72%0.01715%0.145CC..Hα-helixtrans-59.4-42.6176.200000112.9L255 L256 R557 L558 I559 S563 A564 C565 L617L255-A561 HydrophobicContact CB-CB 4.07Å; L255-A561 HydrophobicContact CD1-CB 4.15Å; L255-A561 WeakPolarHBondContact CD1-O 3.49Å; L256-A561 HydrophobicContact CD2-CB 4.17Å; R557-A561 WeakPolarHBondContact O-CB 3.49Å; R557-A561 PolarHBondContact O-N 2.83Å; L558-A561 PolarHBondContact O-N 3.12Å; I559-A561 VanDerWaalsContact C-N 3.32Å; I559-A561 PolarHBondContact O-N 3.42Å; A561-S563 VanDerWaalsContact C-N 3.3Å; A561-S563 PolarHBondContact O-N 3.21Å; A561-A564 PolarHBondContact O-N 2.84Å; A561-C565 WeakPolarHBondContact O-CB 3.33Å; A561-C565 PolarHBondContact O-N 2.85Å; A561-C565 VanDerWaalsContact O-N 3.13Å; A561-L617 HydrophobicContact CB-CD2 3.41Å; A561-L617 VanDerWaalsContact CB-CD2 3.41Å
562L88.6Confident86.4Confident1 Ų129.8 Ų29.81%0.00515%0.145CC..Hα-helixtrans-66-32.8175-72177.2000112.7V85 M86 L244 D248 A251 L255 L558 I559 D560V85-L562 HydrophobicContact CB-CD2 4.25Å; V85-L562 HydrophobicContact CG1-CD2 4.15Å; V85-L562 HydrophobicContact CG2-CD2 4.11Å; M86-L562 HydrophobicContact CG-CB 4.34Å; L244-L562 HydrophobicContact CD2-CD1 4.2Å; D248-L562 HydrophobicContact CB-CD1 4.21Å; A251-L562 HydrophobicContact CB-CD2 4.18Å; L255-L562 HydrophobicContact CD1-CD2 4.26Å; L558-L562 HydrophobicContact CD2-CD1 3.64Å; L558-L562 HydrophobicContact CD2-CG 4.29Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.28Å; I559-L562 PolarHBondContact O-N 3.33Å; D560-L562 VanDerWaalsContact C-N 3.34Å; D560-L562 PolarHBondContact O-N 3.15Å
563S85.2Confident86.5Confident33 Ų3329.6 Ų29.623%0.23114%0.14CC..Hα-helixtrans-74.8-36.2177.280.60000112.8I559 D560 A561 C565 R616I559-S563 PolarHBondContact O-N 2.99Å; D560-S563 PolarHBondContact O-N 3.2Å; D560-S563 PolarHBondContact O-OG 3.2Å; A561-S563 VanDerWaalsContact C-N 3.3Å; A561-S563 PolarHBondContact O-N 3.21Å; S563-C565 VanDerWaalsContact C-N 3.35Å; S563-R616 PolarHBondContact OG-NH2 2.86Å
564A85.2Confident86.4Confident6 Ų630.2 Ų30.25%0.0515%0.148CC..Hα-helixtrans-70.3-33.4177.800000111.9D560 A561 K566 T613 R616D560-A564 WeakPolarHBondContact O-CB 2.76Å; D560-A564 PolarHBondContact O-N 3.45Å; A561-A564 PolarHBondContact O-N 2.84Å; A564-K566 PolarHBondContact O-N 2.91Å; A564-T613 PolarHBondContact O-OG1 2.98Å; A564-R616 HydrophobicContact CB-CB 4.18Å; A564-R616 VanDerWaalsContact CB-CD 3.45Å; A564-R616 HydrophobicContact CB-CG 3.7Å
565C86.2Confident85.8Confident2 Ų234.8 Ų34.81%0.01417%0.165CC..  trans-80.3105.6-172.7-169.80000112.7G84 L255 A561 S563 V567G84-C565 WeakPolarHBondContact CA-O 3.26Å; L255-C565 HydrophobicContact CD1-CB 3.65Å; L255-C565 HydrophobicContact CD2-CB 4.29Å; A561-C565 WeakPolarHBondContact O-CB 3.33Å; A561-C565 PolarHBondContact O-N 2.85Å; A561-C565 VanDerWaalsContact O-N 3.13Å; S563-C565 VanDerWaalsContact C-N 3.35Å; C565-V567 VanDerWaalsContact C-N 3.26Å; C565-V567 PolarHBondContact O-N 3.4Å
566K85.3Confident85.1Confident128 Ų12833.9 Ų33.956%0.55716%0.164SC*.  trans-79.6-4.6173.7-61.3-176.3-179.8179.20114G84 A564G84-K566 PolarHBondContact N-O 3.02Å; A564-K566 PolarHBondContact O-N 2.91Å
567V86.7Confident84.6Confident15 Ų1537.1 Ų37.19%0.09118%0.183CC..SBendtrans-75.2133.8-178-174.40000110.3C565 K569 R571 L572 L608 L609C565-V567 VanDerWaalsContact C-N 3.26Å; C565-V567 PolarHBondContact O-N 3.4Å; V567-K569 PolarHBondContact O-N 3.1Å; V567-R571 HydrophobicContact CG1-CB 4.14Å; V567-L572 HydrophobicContact CB-CD2 4.45Å; V567-L572 HydrophobicContact CB-CG 4.41Å; V567-L572 HydrophobicContact CG1-CD2 4.29Å; V567-L572 HydrophobicContact CG1-CG 4.18Å; V567-L608 WeakPolarHBondContact CG2-O 3.46Å; V567-L609 HydrophobicContact CG2-CD2 4.14Å
568P88.1Confident83.9Confident24 Ų2442.8 Ų42.816%0.15621%0.206CC..  trans-57.1133.7174.5-2835.9000113.1S81 G83 H570 R571S81-P568 WeakPolarHBondContact O-CB 3.29Å; S81-P568 VanDerWaalsContact O-CG 3.23Å; S81-P568 WeakPolarHBondContact O-CG 3.29Å; G83-P568 WeakPolarHBondContact O-CA 3.22Å; P568-H570 VanDerWaalsContact C-N 3.31Å; P568-H570 PolarHBondContact O-N 3.43Å; P568-R571 WeakPolarHBondContact O-CB 3.45Å; P568-R571 PolarHBondContact O-N 3.22Å
569K88.9Confident82.9Confident3 Ų343.6 Ų43.61%0.01321%0.21CC..Hα-helixtrans-53.6-42.9-174.8-169.2168.270.1-165.70113.8D16 D17 V85 S247 D248 A251 V567 R571 L572 L573D16-K569 WeakPolarHBondContact OD1-CE 3.38Å; D16-K569 IonicContact OD1-NZ 3.84Å; D16-K569 PolarHBondContact OD1-NZ 2.69Å; D16-K569 WeakPolarHBondContact OD2-CB 3.49Å; D16-K569 WeakPolarHBondContact OD2-CD 3.49Å; D16-K569 WeakPolarHBondContact OD2-CE 3.5Å; D16-K569 IonicContact OD2-NZ 3.63Å; D16-K569 PolarHBondContact OD2-NZ 3.4Å; D17-K569 WeakPolarHBondContact OD1-CE 3.46Å; D17-K569 IonicContact OD1-NZ 3.35Å; D17-K569 PolarHBondContact OD1-NZ 2.96Å; D17-K569 IonicContact OD2-NZ 2.92Å; V85-K569 HydrophobicContact CG2-CB 4.1Å; V85-K569 HydrophobicContact CG2-CD 4.35Å; V85-K569 HydrophobicContact CG2-CG 4.35Å; S247-K569 PolarHBondContact OG-NZ 3.43Å; S247-K569 VanDerWaalsContact OG-NZ 3.13Å; D248-K569 IonicContact OD1-NZ 2.91Å; D248-K569 PolarHBondContact OD1-NZ 3.27Å; A251-K569 HydrophobicContact CB-CD 4.26Å; A251-K569 HydrophobicContact CB-CG 4.04Å; V567-K569 PolarHBondContact O-N 3.1Å; K569-R571 PolarHBondContact O-N 3.32Å; K569-L572 WeakPolarHBondContact O-CB 3.39Å; K569-L572 PolarHBondContact O-N 2.78Å; K569-L572 VanDerWaalsContact O-N 3.09Å; K569-L573 HydrophobicContact CD-CD1 4.33Å; K569-L573 HydrophobicContact CG-CD1 3.83Å; K569-L573 HydrophobicContact CG-CG 4.06Å; K569-L573 WeakPolarHBondContact O-CG 3.46Å; K569-L573 PolarHBondContact O-N 2.83Å
570H86.9Confident81.9Confident42 Ų4245.6 Ų45.619%0.19423%0.226CC..Hα-helixtrans-60.5-29.6-179.776-84.3000112.9V19 P568 S574V19-H570 HydrophobicContact CB-CB 4.01Å; V19-H570 HydrophobicContact CG1-CB 4.27Å; V19-H570 HydrophobicContact CG2-CB 4.2Å; P568-H570 VanDerWaalsContact C-N 3.31Å; P568-H570 PolarHBondContact O-N 3.43Å; H570-S574 WeakPolarHBondContact O-CB 3.34Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 3.36Å
571R85.8Confident81.1Confident146 Ų14649 Ų4955%0.55124%0.242SC*.Hα-helixtrans-72.5-38.5175.5-67.3-169173-175.9-2.5111.9V567 P568 K569 S574 R575V567-R571 HydrophobicContact CG1-CB 4.14Å; P568-R571 WeakPolarHBondContact O-CB 3.45Å; P568-R571 PolarHBondContact O-N 3.22Å; K569-R571 PolarHBondContact O-N 3.32Å; R571-S574 PolarHBondContact O-OG 2.74Å; R571-R575 PolarHBondContact O-N 3.45Å
572L83.3Confident80Confident13 Ų1350.9 Ų50.97%0.06825%0.249CC..Hα-helixtrans-64.4-47.8173.5-63.6168.9000110.6L255 V567 K569 G576L255-L572 HydrophobicContact CD2-CD2 4.33Å; V567-L572 HydrophobicContact CB-CD2 4.45Å; V567-L572 HydrophobicContact CB-CG 4.41Å; V567-L572 HydrophobicContact CG1-CD2 4.29Å; V567-L572 HydrophobicContact CG1-CG 4.18Å; K569-L572 WeakPolarHBondContact O-CB 3.39Å; K569-L572 PolarHBondContact O-N 2.78Å; K569-L572 VanDerWaalsContact O-N 3.09Å; L572-G576 PolarHBondContact O-N 2.97Å
573L84.7Confident78.7Confident46 Ų4658.1 Ų58.124%0.24128%0.276CS..Hα-helixtrans-70.3-40.4-177.9-64.6-178.4000112.8V250 F254 K569 R575 G576 L577V250-L573 HydrophobicContact CB-CD2 4.42Å; V250-L573 HydrophobicContact CG1-CD2 3.76Å; F254-L573 HydrophobicContact CD2-CD2 4.09Å; F254-L573 HydrophobicContact CE2-CD2 3.84Å; K569-L573 HydrophobicContact CD-CD1 4.33Å; K569-L573 HydrophobicContact CG-CD1 3.83Å; K569-L573 HydrophobicContact CG-CG 4.06Å; K569-L573 WeakPolarHBondContact O-CG 3.46Å; K569-L573 PolarHBondContact O-N 2.83Å; L573-R575 VanDerWaalsContact C-N 3.3Å; L573-R575 PolarHBondContact O-N 3.48Å; L573-G576 WeakPolarHBondContact O-CA 3.32Å; L573-G576 PolarHBondContact O-N 3.19Å; L573-G576 VanDerWaalsContact O-N 3.1Å; L573-L577 PolarHBondContact O-N 2.87Å
574S82.2Confident77.4Confident60 Ų6060.3 Ų60.342%0.4229%0.29SS..Hα-helixtrans-64.9-33.8179.667.40000112H570 R571 L577 Y578H570-S574 WeakPolarHBondContact O-CB 3.34Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 3.36Å; R571-S574 PolarHBondContact O-OG 2.74Å; S574-L577 PolarHBondContact O-N 3.22Å; S574-Y578 VanDerWaalsContact O-CB 3.3Å; S574-Y578 WeakPolarHBondContact O-CB 3.45Å; S574-Y578 PolarHBondContact O-N 2.97Å
575R74.9Confident76Confident99 Ų9965.3 Ų65.337%0.37432%0.316SS..Hα-helixtrans-64.7-42.4171.5-153.581.5166133.6-5.4111R571 L573 Y578 V579 D605 L608R571-R575 PolarHBondContact O-N 3.45Å; L573-R575 VanDerWaalsContact C-N 3.3Å; L573-R575 PolarHBondContact O-N 3.48Å; R575-Y578 PolarHBondContact O-N 3.19Å; R575-V579 WeakPolarHBondContact O-CG2 3.34Å; R575-V579 PolarHBondContact O-N 3.11Å; R575-D605 IonicContact CZ-OD2 2.97Å; R575-D605 VanDerWaalsContact CZ-OD2 3.26Å; R575-D605 IonicContact NE-OD2 3.22Å; R575-D605 PolarHBondContact NE-OD2 2.85Å; R575-D605 IonicContact NH2-OD2 3.74Å; R575-D605 PolarHBondContact NH2-OD2 3.47Å; R575-L608 HydrophobicContact CG-CD1 4.25Å
576G71.8Confident74.4Confident8 Ų868.9 Ų68.98%0.08233%0.331CS..Hα-helixtrans-61.2-44.3173.900000113L572 L573 V579 C580L572-G576 PolarHBondContact O-N 2.97Å; L573-G576 WeakPolarHBondContact O-CA 3.32Å; L573-G576 PolarHBondContact O-N 3.19Å; L573-G576 VanDerWaalsContact O-N 3.1Å; G576-V579 PolarHBondContact O-N 3.42Å; G576-C580 WeakPolarHBondContact O-CB 3.45Å; G576-C580 PolarHBondContact O-N 3.4Å
577L75.1Confident72.6Confident108 Ų10871.7 Ų71.757%0.56534%0.343SS*.Hα-helixtrans-63.2-44.5173.9-178.262.9000111.2L573 S574 V579 C580 M581L573-L577 PolarHBondContact O-N 2.87Å; S574-L577 PolarHBondContact O-N 3.22Å; L577-V579 VanDerWaalsContact C-N 3.35Å; L577-V579 PolarHBondContact O-N 3.24Å; L577-C580 CarbonylContact O-C 3.58Å; L577-C580 WeakPolarHBondContact O-CB 3.28Å; L577-C580 PolarHBondContact O-N 2.89Å; L577-C580 VanDerWaalsContact O-N 3.11Å; L577-M581 HydrophobicContact CD1-CG 3.81Å; L577-M581 HydrophobicContact CD1-SD 4.36Å; L577-M581 HydrophobicContact CG-CG 4.01Å; L577-M581 WeakPolarHBondContact O-CB 3.49Å; L577-M581 VanDerWaalsContact O-CG 3.25Å; L577-M581 WeakPolarHBondContact O-CG 3.33Å; L577-M581 PolarHBondContact O-N 2.84Å
578Y73.5Confident70.8Confident123 Ų12382.8 Ų82.848%0.48238%0.384SS..Hα-helixtrans-57.2-46.9176.8175.6-96.7000111.4S574 R575 C580 M581 R582S574-Y578 VanDerWaalsContact O-CB 3.3Å; S574-Y578 WeakPolarHBondContact O-CB 3.45Å; S574-Y578 PolarHBondContact O-N 2.97Å; R575-Y578 PolarHBondContact O-N 3.19Å; Y578-C580 VanDerWaalsContact C-N 3.33Å; Y578-C580 PolarHBondContact O-N 3.3Å; Y578-M581 PolarHBondContact O-N 3.39Å; Y578-R582 WeakPolarHBondContact O-CB 3.44Å; Y578-R582 PolarHBondContact O-N 2.99Å
579V68.6Low68.4Low16 Ų1684.6 Ų84.610%0.09740%0.396CS..Hα-helixtrans-64.4-38.1176.2175.30000111.7R575 G576 L577 R583 T600 V602R575-V579 WeakPolarHBondContact O-CG2 3.34Å; R575-V579 PolarHBondContact O-N 3.11Å; G576-V579 PolarHBondContact O-N 3.42Å; L577-V579 VanDerWaalsContact C-N 3.35Å; L577-V579 PolarHBondContact O-N 3.24Å; V579-R583 WeakPolarHBondContact O-CG 3.4Å; V579-R583 PolarHBondContact O-N 3.25Å; V579-T600 WeakPolarHBondContact CG2-O 3.47Å; V579-V602 HydrophobicContact CB-CG2 4.28Å; V579-V602 HydrophobicContact CG2-CG2 4.07Å
580C65.4Low66.3Low67 Ų6790.2 Ų90.245%0.45343%0.426SS..Hα-helixtrans-67.8-47.8177.1-170.20000111.9G576 L577 Y578 R582 R583 C584G576-C580 WeakPolarHBondContact O-CB 3.45Å; G576-C580 PolarHBondContact O-N 3.4Å; L577-C580 CarbonylContact O-C 3.58Å; L577-C580 WeakPolarHBondContact O-CB 3.28Å; L577-C580 PolarHBondContact O-N 2.89Å; L577-C580 VanDerWaalsContact O-N 3.11Å; Y578-C580 VanDerWaalsContact C-N 3.33Å; Y578-C580 PolarHBondContact O-N 3.3Å; C580-R582 VanDerWaalsContact C-N 3.33Å; C580-R582 PolarHBondContact O-N 3.4Å; C580-R583 CarbonylContact O-C 3.58Å; C580-R583 WeakPolarHBondContact O-CA 3.36Å; C580-R583 WeakPolarHBondContact O-CB 3.39Å; C580-R583 PolarHBondContact O-N 2.86Å; C580-C584 PolarHBondContact O-N 3.21Å; C580-C584 PolarHBondContact O-SG 3.14Å; C580-C584 VanDerWaalsContact O-SG 3.4Å
581M68.2Low64.3Low86 Ų8693.1 Ų93.142%0.42445%0.449SS..Hα-helixtrans-63-40.6176.9-68.9-62.2-79.200110.9L577 Y578 R583 C584 L585L577-M581 HydrophobicContact CD1-CG 3.81Å; L577-M581 HydrophobicContact CD1-SD 4.36Å; L577-M581 HydrophobicContact CG-CG 4.01Å; L577-M581 WeakPolarHBondContact O-CB 3.49Å; L577-M581 VanDerWaalsContact O-CG 3.25Å; L577-M581 WeakPolarHBondContact O-CG 3.33Å; L577-M581 PolarHBondContact O-N 2.84Å; Y578-M581 PolarHBondContact O-N 3.39Å; M581-R583 PolarHBondContact O-N 3.24Å; M581-C584 PolarHBondContact O-N 3.22Å; M581-L585 HydrophobicContact CB-CD1 4.38Å; M581-L585 HydrophobicContact CE-CD1 3.88Å; M581-L585 HydrophobicContact CE-CD2 4.49Å; M581-L585 HydrophobicContact CE-CG 4.19Å; M581-L585 WeakPolarHBondContact O-CB 3.24Å; M581-L585 PolarHBondContact O-N 2.85Å
582R65.9Low62.3Low42 Ų4294.5 Ų94.516%0.15846%0.461CS..Hα-helixtrans-62.8-17.6171.3-168.1179.9176.6-162.2-1.8113.2Y578 C580 F586 S598 T600Y578-R582 WeakPolarHBondContact O-CB 3.44Å; Y578-R582 PolarHBondContact O-N 2.99Å; C580-R582 VanDerWaalsContact C-N 3.33Å; C580-R582 PolarHBondContact O-N 3.4Å; R582-F586 VanDerWaalsContact CA-CD2 3.47Å; R582-F586 HydrophobicContact CB-CD2 4.27Å; R582-F586 HydrophobicContact CB-CE2 4.06Å; R582-F586 HydrophobicContact CG-CD2 3.87Å; R582-F586 HydrophobicContact CG-CE2 3.5Å; R582-F586 VanDerWaalsContact CG-CE2 3.5Å; R582-F586 HydrophobicContact CG-CZ 4.05Å; R582-F586 WeakPolarHBondContact O-CB 3.23Å; R582-F586 WeakPolarHBondContact O-CD2 3.2Å; R582-F586 WeakPolarHBondContact O-CG 3.39Å; R582-S598 PolarHBondContact NH1-OG 3.46Å; R582-S598 PolarHBondContact NH2-OG 2.84Å; R582-T600 PolarHBondContact NH1-OG1 3.45Å
583R61.5Low60.5Low154 Ų15497.5 Ų97.558%0.58148%0.482SS*.Hα-helixtrans-95-35.7171.4-75.3177.9173.9-170.8-3.6112.8V579 C580 M581V579-R583 WeakPolarHBondContact O-CG 3.4Å; V579-R583 PolarHBondContact O-N 3.25Å; C580-R583 CarbonylContact O-C 3.58Å; C580-R583 WeakPolarHBondContact O-CA 3.36Å; C580-R583 WeakPolarHBondContact O-CB 3.39Å; C580-R583 PolarHBondContact O-N 2.86Å; M581-R583 PolarHBondContact O-N 3.24Å
584C56.6Low58.5Low78 Ų78100.5 Ų100.553%0.52749%0.494SS..Hα-helixtrans-79-48.5-176-69.50000112.8C580 M581 F586 K587C580-C584 PolarHBondContact O-N 3.21Å; C580-C584 PolarHBondContact O-SG 3.14Å; C580-C584 VanDerWaalsContact O-SG 3.4Å; M581-C584 PolarHBondContact O-N 3.22Å; C584-F586 PolarHBondContact O-N 3.47Å; C584-K587 PolarHBondContact O-N 2.84Å
585L55.4Low56.4Low112 Ų112105.7 Ų105.759%0.58651%0.511SS*.G310 helixtrans-67-28.8177.5-66.3173000111.6M581 K587 W588M581-L585 HydrophobicContact CB-CD1 4.38Å; M581-L585 HydrophobicContact CE-CD1 3.88Å; M581-L585 HydrophobicContact CE-CD2 4.49Å; M581-L585 HydrophobicContact CE-CG 4.19Å; M581-L585 WeakPolarHBondContact O-CB 3.24Å; M581-L585 PolarHBondContact O-N 2.85Å; L585-K587 VanDerWaalsContact C-N 3.28Å; L585-K587 PolarHBondContact O-N 3.27Å; L585-W588 PolarHBondContact O-N 3.4Å
586F52.9Low54.8Low77 Ų77107.9 Ų107.934%0.33854%0.538SS..G310 helixtrans-79.8-1.9-178-76.7-98.1000114.8R582 C584 W588 C589 F594R582-F586 VanDerWaalsContact CA-CD2 3.47Å; R582-F586 HydrophobicContact CB-CD2 4.27Å; R582-F586 HydrophobicContact CB-CE2 4.06Å; R582-F586 HydrophobicContact CG-CD2 3.87Å; R582-F586 HydrophobicContact CG-CE2 3.5Å; R582-F586 VanDerWaalsContact CG-CE2 3.5Å; R582-F586 HydrophobicContact CG-CZ 4.05Å; R582-F586 WeakPolarHBondContact O-CB 3.23Å; R582-F586 WeakPolarHBondContact O-CD2 3.2Å; R582-F586 WeakPolarHBondContact O-CG 3.39Å; C584-F586 PolarHBondContact O-N 3.47Å; F586-W588 PolarHBondContact O-N 2.9Å; F586-C589 HydrophobicContact CD1-CB 4.28Å; F586-F594 HydrophobicContact CD1-CD2 4.23Å; F586-F594 AromaticContact CE1-CD2 3.46Å; F586-F594 HydrophobicContact CE1-CD2 3.46Å; F586-F594 VanDerWaalsContact CE1-CD2 3.46Å; F586-F594 AromaticContact CE1-CE2 3.43Å; F586-F594 HydrophobicContact CE1-CE2 3.43Å; F586-F594 VanDerWaalsContact CE1-CE2 3.43Å; F586-F594 HydrophobicContact CZ-CD2 4.18Å; F586-F594 AromaticContact CZ-CE2 3.8Å; F586-F594 HydrophobicContact CZ-CE2 3.8Å
587K48.6Very low53.3Low186 Ų186110.5 Ų110.581%0.80957%0.565SS**G310 helixtrans-62.4-18.6162.5-85.2-174.9177.6173.50112.2C584 L585C584-K587 PolarHBondContact O-N 2.84Å; L585-K587 VanDerWaalsContact C-N 3.28Å; L585-K587 PolarHBondContact O-N 3.27Å
588W48.3Very low51.8Low249 Ų249108.2 Ų108.294%0.94356%0.559SS**SBendtrans-102.1-10.6-176.8-73.228.1000114.1L585 F586L585-W588 PolarHBondContact O-N 3.4Å; F586-W588 PolarHBondContact O-N 2.9Å
589C37.1Very low50.6Low62 Ų62105.9 Ų105.942%0.41956%0.56SS.*SBendtrans-103.8142.8177.6-163.20000110F586F586-C589 HydrophobicContact CD1-CB 4.28Å
590L44.7Very low49.7Very low120 Ų120108 Ų10863%0.62857%0.573SS**  trans-57.2141.4-176.8-88.187.7000111Q592 C593L590-Q592 PolarHBondContact O-N 2.88Å; L590-C593 PolarHBondContact O-N 3.13Å
591P46.2Very low49.2Very low104 Ų104106.6 Ų106.668%0.67556%0.563SS**G310 helixtrans-56.8-12179.3-23.732000115.7
592Q43.1Very low48.6Very low174 Ų174103.4 Ų103.481%0.81355%0.548SS*.G310 helixtrans-79.7-17.8-177.2-63.3178.31.300113.6L590 F594L590-Q592 PolarHBondContact O-N 2.88Å; Q592-F594 VanDerWaalsContact C-N 3.28Å; Q592-F594 PolarHBondContact O-N 3.34Å
593C45.7Very low48.2Very low76 Ų76101.7 Ų101.751%0.51454%0.544SS..G310 helixtrans-73.5-13.5-176.4-64.80000114.4L590L590-C593 PolarHBondContact O-N 3.13Å
594F42.6Very low48Very low110 Ų11096 Ų9648%0.48253%0.528SS..SBendtrans-147.2124.4178.7-77.3-79.5000112.3F586 Q592F586-F594 HydrophobicContact CD1-CD2 4.23Å; F586-F594 AromaticContact CE1-CD2 3.46Å; F586-F594 HydrophobicContact CE1-CD2 3.46Å; F586-F594 VanDerWaalsContact CE1-CD2 3.46Å; F586-F594 AromaticContact CE1-CE2 3.43Å; F586-F594 HydrophobicContact CE1-CE2 3.43Å; F586-F594 VanDerWaalsContact CE1-CE2 3.43Å; F586-F594 HydrophobicContact CZ-CD2 4.18Å; F586-F594 AromaticContact CZ-CE2 3.8Å; F586-F594 HydrophobicContact CZ-CE2 3.8Å; Q592-F594 VanDerWaalsContact C-N 3.28Å; Q592-F594 PolarHBondContact O-N 3.34Å
595Q37.8Very low48.3Very low168 Ų16894 Ų9479%0.78551%0.511SS*.  trans-55.9134.3174.4-74-173.2-18.400111.2G597 S598Q595-G597 PolarHBondContact O-N 3.14Å; Q595-S598 PolarHBondContact O-N 3.44Å
596P42.4Very low48.6Very low145 Ų14591.6 Ų91.694%0.94250%0.502SS*.THydrogen-bonded Turntrans-55.2-13.4175.6-2533000115.2
597G40.6Very low49.3Very low63 Ų6395.5 Ų95.565%0.64953%0.525SS*.THydrogen-bonded Turntrans-88.1-14.1-175.400000116.9Q595 S599Q595-G597 PolarHBondContact O-N 3.14Å; G597-S599 PolarHBondContact O-N 3.48Å
598S42.8Very low50.5Low61 Ų6189.2 Ų89.243%0.42750%0.5SS..  trans-73.491-179.385.90000110.6R582 Q595 T600R582-S598 PolarHBondContact NH1-OG 3.46Å; R582-S598 PolarHBondContact NH2-OG 2.84Å; Q595-S598 PolarHBondContact O-N 3.44Å; S598-T600 PolarHBondContact O-N 3.2Å
599S48.1Very low52.2Low74 Ų7477.8 Ų77.852%0.51746%0.457SS..  trans-73.853.8-176.272.30000112.8G597 T601 S604G597-S599 PolarHBondContact O-N 3.48Å; S599-T601 PolarHBondContact O-N 3Å; S599-S604 VanDerWaalsContact O-CB 3.28Å; S599-S604 WeakPolarHBondContact O-CB 3.09Å; S599-S604 PolarHBondContact O-OG 3Å
600T49.4Very low54.4Low60 Ų6078 Ų7837%0.36845%0.454SS..  trans-72.161.3164.3600000109.7V579 R582 S598V579-T600 WeakPolarHBondContact CG2-O 3.47Å; R582-T600 PolarHBondContact NH1-OG1 3.45Å; S598-T600 PolarHBondContact O-N 3.2Å
601T54.5Low56.2Low37 Ų3776 Ų7623%0.22746%0.455CS..  trans-91.8139.4166.757.80000108S599 G603 S604S599-T601 PolarHBondContact O-N 3Å; T601-G603 PolarHBondContact O-N 3.41Å; T601-S604 PolarHBondContact O-N 3.43Å; T601-S604 PolarHBondContact O-OG 2.98Å; T601-S604 PolarHBondContact OG1-OG 3.22Å
602V56.3Low57.9Low20 Ų2074.4 Ų74.412%0.12145%0.446CS..THydrogen-bonded Turntrans-52.3116164.5-171.80000107.3F254 R257 V579F254-V602 HydrophobicContact CB-CG1 3.99Å; F254-V602 HydrophobicContact CD1-CB 4.05Å; F254-V602 HydrophobicContact CD1-CG1 3.45Å; F254-V602 VanDerWaalsContact CD1-CG1 3.45Å; F254-V602 HydrophobicContact CD1-CG2 4.31Å; F254-V602 HydrophobicContact CE1-CB 4.32Å; F254-V602 HydrophobicContact CE1-CG1 4.11Å; F254-V602 HydrophobicContact CE1-CG2 4.14Å; F254-V602 HydrophobicContact CG-CG1 3.9Å; R257-V602 PolarHBondContact NE-O 3.38Å; R257-V602 VanDerWaalsContact NE-O 3.09Å; V579-V602 HydrophobicContact CB-CG2 4.28Å; V579-V602 HydrophobicContact CG2-CG2 4.07Å
603G57.2Low59.8Low6 Ų666.3 Ų66.36%0.06241%0.409CS..THydrogen-bonded Turntrans120.4-20.9-171.600000116.3T601T601-G603 PolarHBondContact O-N 3.41Å
604S58.5Low61.7Low35 Ų3564.8 Ų64.825%0.24539%0.394CS..THydrogen-bonded Turntrans-85.4-26.9175.2-49.40000113.3K261 S599 T601 T606K261-S604 PolarHBondContact NZ-OG 3.39Å; S599-S604 VanDerWaalsContact O-CB 3.28Å; S599-S604 WeakPolarHBondContact O-CB 3.09Å; S599-S604 PolarHBondContact O-OG 3Å; T601-S604 PolarHBondContact O-N 3.43Å; T601-S604 PolarHBondContact O-OG 2.98Å; T601-S604 PolarHBondContact OG1-OG 3.22Å; S604-T606 PolarHBondContact O-N 2.82Å
605D62Low63.6Low35 Ų3564.1 Ų64.119%0.18739%0.392CS..  trans-83.9104.9-169.6-166.8-3.2000109.6R575 L607R575-D605 IonicContact CZ-OD2 2.97Å; R575-D605 VanDerWaalsContact CZ-OD2 3.26Å; R575-D605 IonicContact NE-OD2 3.22Å; R575-D605 PolarHBondContact NE-OD2 2.85Å; R575-D605 IonicContact NH2-OD2 3.74Å; R575-D605 PolarHBondContact NH2-OD2 3.47Å; D605-L607 VanDerWaalsContact C-N 3.33Å; D605-L607 VanDerWaalsContact OD1-CB 3.29Å; D605-L607 WeakPolarHBondContact OD1-CB 3.35Å; D605-L607 PolarHBondContact OD1-N 3.21Å; D605-L607 VanDerWaalsContact OD1-N 3.13Å
606T62.2Low65.7Low62 Ų6261.1 Ų61.138%0.3837%0.374SS..  trans-80.1-16.4175.148.70000112S604 L608 L609 Q614S604-T606 PolarHBondContact O-N 2.82Å; T606-L608 PolarHBondContact O-N 3.11Å; T606-L609 PolarHBondContact O-N 3.02Å; T606-Q614 PolarHBondContact O-NE2 3.5Å
607L67.7Low67.6Low158 Ų15854.3 Ų54.383%0.82733%0.33SS*.THydrogen-bonded Turntrans-67.5-21.7-172.2-60.4171.8000113.6D605D605-L607 VanDerWaalsContact C-N 3.33Å; D605-L607 VanDerWaalsContact OD1-CB 3.29Å; D605-L607 WeakPolarHBondContact OD1-CB 3.35Å; D605-L607 PolarHBondContact OD1-N 3.21Å; D605-L607 VanDerWaalsContact OD1-N 3.13Å
608L74Confident69.6Low54 Ų5452.8 Ų52.828%0.28331%0.306SS..THydrogen-bonded Turntrans-77.4-29.9178.3-77.5163.5000112.8V567 R575 T606V567-L608 WeakPolarHBondContact CG2-O 3.46Å; R575-L608 HydrophobicContact CG-CD1 4.25Å; T606-L608 PolarHBondContact O-N 3.11Å
609L82.8Confident71.2Confident10 Ų1053.9 Ų53.95%0.05230%0.302CS..SBendtrans-107.6123.5-172.7-59169.3000107.9L255 W258 V567 T606 T613 Q614 L617L255-L609 HydrophobicContact CD2-CD2 4.09Å; W258-L609 HydrophobicContact CD2-CD1 3.83Å; W258-L609 HydrophobicContact CE3-CD1 4.19Å; W258-L609 HydrophobicContact CG-CD1 4.15Å; W258-L609 HydrophobicContact CZ2-CD1 4.22Å; V567-L609 HydrophobicContact CG2-CD2 4.14Å; T606-L609 PolarHBondContact O-N 3.02Å; L609-T613 HydrophobicContact CB-CG2 4.45Å; L609-T613 HydrophobicContact CD2-CG2 3.9Å; L609-Q614 HydrophobicContact CB-CG 3.65Å; L609-Q614 PolarHBondContact O-NE2 2.89Å; L609-L617 HydrophobicContact CD1-CD1 3.76Å; L609-L617 HydrophobicContact CD2-CD1 4.24Å
610D83Confident71.9Confident66 Ų6650.5 Ų50.535%0.35328%0.278SS..  trans-63.3158.2171.761.7-68.3000111.1S612 T613 Q614D610-S612 PolarHBondContact O-N 3.16Å; D610-S612 WeakPolarHBondContact OD2-CB 3.46Å; D610-S612 PolarHBondContact OD2-N 3.19Å; D610-S612 PolarHBondContact OD2-OG 3Å; D610-T613 VanDerWaalsContact CG-OG1 3.27Å; D610-T613 PolarHBondContact O-N 3.23Å; D610-T613 VanDerWaalsContact O-N 3.11Å; D610-T613 WeakPolarHBondContact OD1-CB 3.34Å; D610-T613 PolarHBondContact OD1-OG1 3.1Å; D610-T613 PolarHBondContact OD2-N 3.06Å; D610-T613 VanDerWaalsContact OD2-N 3.09Å; D610-T613 PolarHBondContact OD2-OG1 2.88Å; D610-Q614 WeakPolarHBondContact O-CG 3.44Å; D610-Q614 PolarHBondContact O-N 3.46Å
611A82.9Confident72.1Confident78 Ų7851.3 Ų51.365%0.64528%0.279SS*.Hα-helixtrans-56.3-36.1-175.900000112.7Q614 E615A611-Q614 PolarHBondContact O-N 3.44Å; A611-E615 WeakPolarHBondContact O-CB 3.4Å; A611-E615 PolarHBondContact O-N 3.28Å
612S82.2Confident72Confident71 Ų7151.1 Ų51.150%0.49728%0.278SS..Hα-helixtrans-68.5-42.8178.883.60000112D610 E615 R616D610-S612 PolarHBondContact O-N 3.16Å; D610-S612 WeakPolarHBondContact OD2-CB 3.46Å; D610-S612 PolarHBondContact OD2-N 3.19Å; D610-S612 PolarHBondContact OD2-OG 3Å; S612-E615 PolarHBondContact O-N 3.12Å; S612-R616 WeakPolarHBondContact O-CB 3.46Å; S612-R616 PolarHBondContact O-N 3.49Å
613T83.9Confident71.4Confident3 Ų354.3 Ų54.32%0.01829%0.292CS..Hα-helixtrans-64.3-41.3173.7-63.10000111.3A564 L609 D610 E615 R616 L617A564-T613 PolarHBondContact O-OG1 2.98Å; L609-T613 HydrophobicContact CB-CG2 4.45Å; L609-T613 HydrophobicContact CD2-CG2 3.9Å; D610-T613 VanDerWaalsContact CG-OG1 3.27Å; D610-T613 PolarHBondContact O-N 3.23Å; D610-T613 VanDerWaalsContact O-N 3.11Å; D610-T613 WeakPolarHBondContact OD1-CB 3.34Å; D610-T613 PolarHBondContact OD1-OG1 3.1Å; D610-T613 PolarHBondContact OD2-N 3.06Å; D610-T613 VanDerWaalsContact OD2-N 3.09Å; D610-T613 PolarHBondContact OD2-OG1 2.88Å; T613-E615 PolarHBondContact O-N 3.26Å; T613-R616 PolarHBondContact O-N 2.96Å; T613-L617 HydrophobicContact CG2-CD1 3.83Å; T613-L617 HydrophobicContact CG2-CG 4.23Å; T613-L617 WeakPolarHBondContact O-CB 3.49Å; T613-L617 VanDerWaalsContact O-CG 3.23Å; T613-L617 WeakPolarHBondContact O-CG 3.45Å; T613-L617 PolarHBondContact O-N 3.42Å
614Q85.1Confident70.1Confident44 Ų4460.7 Ų60.721%0.20632%0.324CS..Hα-helixtrans-59.8-46.3176.3-70.1-177.328.900111.6W258 T606 L609 D610 A611 L617 I618W258-Q614 HydrophobicContact CH2-CB 3.67Å; W258-Q614 HydrophobicContact CH2-CG 3.75Å; W258-Q614 HydrophobicContact CZ2-CB 4.14Å; W258-Q614 HydrophobicContact CZ2-CG 3.72Å; T606-Q614 PolarHBondContact O-NE2 3.5Å; L609-Q614 HydrophobicContact CB-CG 3.65Å; L609-Q614 PolarHBondContact O-NE2 2.89Å; D610-Q614 WeakPolarHBondContact O-CG 3.44Å; D610-Q614 PolarHBondContact O-N 3.46Å; A611-Q614 PolarHBondContact O-N 3.44Å; Q614-L617 PolarHBondContact O-N 3.4Å; Q614-I618 WeakPolarHBondContact O-CB 3.25Å; Q614-I618 VanDerWaalsContact O-CG1 3.28Å; Q614-I618 WeakPolarHBondContact O-CG1 3.23Å; Q614-I618 PolarHBondContact O-N 3.43Å
615E82.5Confident68.6Low96 Ų9663.8 Ų63.845%0.44934%0.343SS..Hα-helixtrans-60.7-48.1177.2-171.2177.9-172.800111A611 S612 T613 L617 I618 Y619A611-E615 WeakPolarHBondContact O-CB 3.4Å; A611-E615 PolarHBondContact O-N 3.28Å; S612-E615 PolarHBondContact O-N 3.12Å; T613-E615 PolarHBondContact O-N 3.26Å; E615-L617 VanDerWaalsContact C-N 3.32Å; E615-L617 PolarHBondContact O-N 3.21Å; E615-I618 PolarHBondContact O-N 3.29Å; E615-Y619 HydrophobicContact CG-CD2 3.83Å; E615-Y619 HydrophobicContact CG-CE2 4.21Å; E615-Y619 WeakPolarHBondContact O-CD2 3.35Å; E615-Y619 PolarHBondContact O-N 2.75Å
616R80.4Confident67Low105 Ų10566.7 Ų66.740%0.39637%0.365SS..Hα-helixtrans-62.2-38178.1-173.2168.1173.4169.62.8112.8D560 S563 A564 S612 T613 Y619 S620D560-R616 IonicContact OD1-CZ 3.9Å; D560-R616 IonicContact OD1-NE 2.83Å; D560-R616 PolarHBondContact OD1-NE 3.41Å; D560-R616 IonicContact OD1-NH2 3Å; D560-R616 PolarHBondContact OD1-NH2 2.66Å; S563-R616 PolarHBondContact OG-NH2 2.86Å; A564-R616 HydrophobicContact CB-CB 4.18Å; A564-R616 VanDerWaalsContact CB-CD 3.45Å; A564-R616 HydrophobicContact CB-CG 3.7Å; S612-R616 WeakPolarHBondContact O-CB 3.46Å; S612-R616 PolarHBondContact O-N 3.49Å; T613-R616 PolarHBondContact O-N 2.96Å; R616-Y619 CarbonylContact O-C 3.52Å; R616-S620 VanDerWaalsContact O-CA 3.24Å; R616-S620 WeakPolarHBondContact O-CA 3.38Å; R616-S620 PolarHBondContact O-N 2.94Å; R616-S620 VanDerWaalsContact O-N 3.1Å
617L84.1Confident65.3Low2 Ų270.7 Ų70.71%0.0138%0.384CS..Hα-helixtrans-68.8-41175-73.6171.5000112.1L255 W258 Q259 A561 L609 T613 Q614 E615L255-L617 HydrophobicContact CB-CD2 4.32Å; L255-L617 HydrophobicContact CD2-CD1 4.21Å; W258-L617 HydrophobicContact CE3-CB 4.17Å; W258-L617 HydrophobicContact CE3-CD1 4.06Å; W258-L617 HydrophobicContact CZ3-CB 3.65Å; W258-L617 HydrophobicContact CZ3-CD1 4.05Å; Q259-L617 WeakPolarHBondContact CG-O 3.37Å; Q259-L617 PolarHBondContact NE2-O 3.33Å; A561-L617 HydrophobicContact CB-CD2 3.41Å; A561-L617 VanDerWaalsContact CB-CD2 3.41Å; L609-L617 HydrophobicContact CD1-CD1 3.76Å; L609-L617 HydrophobicContact CD2-CD1 4.24Å; T613-L617 HydrophobicContact CG2-CD1 3.83Å; T613-L617 HydrophobicContact CG2-CG 4.23Å; T613-L617 WeakPolarHBondContact O-CB 3.49Å; T613-L617 VanDerWaalsContact O-CG 3.23Å; T613-L617 WeakPolarHBondContact O-CG 3.45Å; T613-L617 PolarHBondContact O-N 3.42Å; Q614-L617 PolarHBondContact O-N 3.4Å; E615-L617 VanDerWaalsContact C-N 3.32Å; E615-L617 PolarHBondContact O-N 3.21Å
618I82.1Confident63.5Low31 Ų3170.3 Ų70.316%0.15938%0.383CS..Hα-helixtrans-68.4-42.6179.5-70.2167.8000110.6W258 Q262 W263 Q614 E615 F658W258-I618 HydrophobicContact CH2-CD1 3.87Å; W258-I618 HydrophobicContact CH2-CG1 3.84Å; W258-I618 HydrophobicContact CZ3-CD1 4.38Å; W258-I618 HydrophobicContact CZ3-CG1 3.83Å; Q262-I618 HydrophobicContact CB-CD1 4.15Å; Q262-I618 HydrophobicContact CB-CG1 3.92Å; Q262-I618 HydrophobicContact CG-CD1 4.21Å; Q262-I618 HydrophobicContact CG-CG1 4.18Å; W263-I618 PolarHBondContact NE1-O 3.28Å; Q614-I618 WeakPolarHBondContact O-CB 3.25Å; Q614-I618 VanDerWaalsContact O-CG1 3.28Å; Q614-I618 WeakPolarHBondContact O-CG1 3.23Å; Q614-I618 PolarHBondContact O-N 3.43Å; E615-I618 PolarHBondContact O-N 3.29Å; I618-F658 HydrophobicContact CG2-CE2 3.82Å; I618-F658 HydrophobicContact CG2-CZ 4.19Å; I618-F658 WeakPolarHBondContact O-CZ 3.43Å
619Y75.5Confident61.8Low85 Ų8575.2 Ų75.233%0.33341%0.409SS..THydrogen-bonded Turntrans-104.939.3-176.7-57.6-75.6000112.8E615 R616 I621 R654 F658E615-Y619 HydrophobicContact CG-CD2 3.83Å; E615-Y619 HydrophobicContact CG-CE2 4.21Å; E615-Y619 WeakPolarHBondContact O-CD2 3.35Å; E615-Y619 PolarHBondContact O-N 2.75Å; R616-Y619 CarbonylContact O-C 3.52Å; Y619-I621 PolarHBondContact O-N 3.03Å; Y619-R654 HydrophobicContact CD1-CG 4.5Å; Y619-F658 HydrophobicContact CD1-CD2 4.36Å; Y619-F658 AromaticContact CD1-CE2 3.67Å; Y619-F658 HydrophobicContact CD1-CE2 3.67Å; Y619-F658 AromaticContact CE1-CD2 3.73Å; Y619-F658 HydrophobicContact CE1-CD2 3.73Å; Y619-F658 AromaticContact CE1-CE2 3.45Å; Y619-F658 HydrophobicContact CE1-CE2 3.45Å; Y619-F658 VanDerWaalsContact CE1-CE2 3.45Å
620S64.3Low59.3Low2 Ų279.9 Ų79.91%0.01443%0.431CS..  trans-48.5138.3-17561.50000113.2Q259 D560 R616 P622 R654Q259-S620 PolarHBondContact NE2-OG 3.36Å; D560-S620 WeakPolarHBondContact OD2-CA 3.11Å; D560-S620 WeakPolarHBondContact OD2-CB 3.22Å; R616-S620 VanDerWaalsContact O-CA 3.24Å; R616-S620 WeakPolarHBondContact O-CA 3.38Å; R616-S620 PolarHBondContact O-N 2.94Å; R616-S620 VanDerWaalsContact O-N 3.1Å; S620-P622 WeakPolarHBondContact O-CD 3.43Å; S620-R654 PolarHBondContact O-NH2 3.06Å
621I53.7Low56.8Low78 Ų7879.8 Ų79.840%0.443%0.429SS..  trans-116.688.5176.7-35.9-176.1000108.2D560 Y619 Q623 Y650D560-I621 PolarHBondContact OD2-N 3.17Å; D560-I621 VanDerWaalsContact OD2-N 3.14Å; Y619-I621 PolarHBondContact O-N 3.03Å; I621-Q623 VanDerWaalsContact C-N 3.26Å; I621-Q623 PolarHBondContact O-N 3.43Å; I621-Y650 HydrophobicContact CD1-CE1 3.67Å
622P51Low54Low32 Ų3283.7 Ų83.721%0.20843%0.427CS..  trans-70.1-18.8177.817.1-22.5000114.3W556 R557 S620W556-P622 HydrophobicContact CB-CB 3.2Å; W556-P622 HydrophobicContact CB-CG 4.48Å; W556-P622 HydrophobicContact CG-CB 4.3Å; R557-P622 HydrophobicContact CG-CG 4.1Å; S620-P622 WeakPolarHBondContact O-CD 3.43Å
623Q44.3Very low51.6Low88 Ų8882.8 Ų82.841%0.41142%0.416SS..  trans-149.5132.1-170.8-65.4-63.6-31.900113.4W556 I621W556-Q623 VanDerWaalsContact CD2-NE2 3.3Å; W556-Q623 VanDerWaalsContact CG-NE2 3.28Å; I621-Q623 VanDerWaalsContact C-N 3.26Å; I621-Q623 PolarHBondContact O-N 3.43Å
624L28.9Very low48.7Very low140 Ų14089.7 Ų89.773%0.73345%0.448SS*.  -118.1115.2128.1-161.979.6000105.6C626L624-C626 PolarHBondContact O-N 3.32Å
625P27.8Very low46.3Very low100 Ų10092.7 Ų92.765%0.64946%0.461SS*.  trans-69.9111.6158.61.416.4000105.6
626C28.9Very low43.7Very low96 Ų9691.7 Ų91.765%0.64946%0.464SS*.  trans-78.3128.1154.1-81.80000106.6L624L624-C626 PolarHBondContact O-N 3.32Å
627D26Very low41.2Very low146 Ų14692.3 Ų92.378%0.78148%0.48SS*.SBendtrans-47.3150.4162.8-69.7-48.2000111.4
628D30.6Very low38.5Very low149 Ų14998.9 Ų98.980%0.79752%0.515SS*.SBendtrans59.1113.6165.7-58.1-31.5000119.2E630D628-E630 VanDerWaalsContact C-N 3.3Å; D628-E630 PolarHBondContact O-N 2.89Å
629D38.4Very low36Very low157 Ų157104.3 Ų104.384%0.8454%0.544SS*.SBendtrans50.31.5161.2-76.6-27.6000122.4
630E30.3Very low33.9Very low109 Ų109107.2 Ų107.251%0.50957%0.565SS.*  trans-131.595.3170.3-76.6-163.3171.600114D628 R632D628-E630 VanDerWaalsContact C-N 3.3Å; D628-E630 PolarHBondContact O-N 2.89Å; E630-R632 VanDerWaalsContact C-N 3.31Å; E630-R632 PolarHBondContact O-N 3.1Å; E630-R632 IonicContact OE2-CZ 3.56Å; E630-R632 IonicContact OE2-NE 3.88Å; E630-R632 PolarHBondContact OE2-NE 3.29Å; E630-R632 IonicContact OE2-NH2 2.71Å; E630-R632 PolarHBondContact OE2-NH2 3.43Å
631M29.3Very low32.2Very low63 Ų63112.8 Ų112.831%0.3160%0.599SS.*  trans-63.394.3156.8-172.3-178.8-168.600108.6K174 P180 W556K174-M631 WeakPolarHBondContact CE-O 3.35Å; K174-M631 PolarHBondContact NZ-O 2.84Å; P180-M631 HydrophobicContact CG-SD 4.31Å; W556-M631 HydrophobicContact CH2-CE 4.17Å
632R25.9Very low31.6Very low160 Ų160114.7 Ų114.760%0.60462%0.62SS**  trans-103.6111.5158.9-76.3-173.4-158.1-167.13.5108.4E630 H634E630-R632 VanDerWaalsContact C-N 3.31Å; E630-R632 PolarHBondContact O-N 3.1Å; E630-R632 IonicContact OE2-CZ 3.56Å; E630-R632 IonicContact OE2-NE 3.88Å; E630-R632 PolarHBondContact OE2-NE 3.29Å; E630-R632 IonicContact OE2-NH2 2.71Å; E630-R632 PolarHBondContact OE2-NH2 3.43Å; R632-H634 PolarHBondContact O-N 2.98Å
633I30.6Very low30.8Very low52 Ų52118.7 Ų118.727%0.26764%0.639SS.*  trans-69106.4153.8-58.2170.8000105.2Q175 F635Q175-I633 HydrophobicContact CB-CD1 4.1Å; Q175-I633 VanDerWaalsContact OE1-CB 3.26Å; I633-F635 VanDerWaalsContact C-N 3.28Å; I633-F635 HydrophobicContact CB-CD2 4.35Å; I633-F635 HydrophobicContact CB-CE2 4.07Å; I633-F635 HydrophobicContact CG2-CD2 3.98Å; I633-F635 HydrophobicContact CG2-CE2 3.73Å; I633-F635 HydrophobicContact CG2-CG 4.49Å; I633-F635 HydrophobicContact CG2-CZ 4.03Å; I633-F635 PolarHBondContact O-N 3.41Å
634H23.3Very low30.3Very low148 Ų148119.7 Ų119.769%0.68566%0.656SS**  trans-64.995166.9-96.6-88000108.2R632 S636R632-H634 PolarHBondContact O-N 2.98Å; H634-S636 PolarHBondContact O-N 3.12Å; H634-S636 VanDerWaalsContact O-N 3.16Å
635F34.7Very low30.4Very low108 Ų108115 Ų11547%0.47464%0.642SS.*  trans-74.882151.8-67.5-81.7000106M86 I633 V637M86-F635 HydrophobicContact CE-CE1 4.37Å; M86-F635 HydrophobicContact CE-CZ 4.3Å; I633-F635 VanDerWaalsContact C-N 3.28Å; I633-F635 HydrophobicContact CB-CD2 4.35Å; I633-F635 HydrophobicContact CB-CE2 4.07Å; I633-F635 HydrophobicContact CG2-CD2 3.98Å; I633-F635 HydrophobicContact CG2-CE2 3.73Å; I633-F635 HydrophobicContact CG2-CG 4.49Å; I633-F635 HydrophobicContact CG2-CZ 4.03Å; I633-F635 PolarHBondContact O-N 3.41Å; F635-V637 PolarHBondContact O-N 3.24Å
636S28.6Very low31Very low74 Ų74113.9 Ų113.952%0.51764%0.636SS.*  trans-7179.4172.359.60000108.9H634H634-S636 PolarHBondContact O-N 3.12Å; H634-S636 VanDerWaalsContact O-N 3.16Å
637V28.1Very low31.4Very low119 Ų119112.3 Ų112.372%0.72162%0.624SS**  trans-84131.3140.3-177.50000103.7F635F635-V637 PolarHBondContact O-N 3.24Å
638D26.2Very low32Very low140 Ų140114.5 Ų114.575%0.74962%0.621SS**  trans86.982.3-176.2-46.6-29.6000114.5
639D30.7Very low32.5Very low144 Ų144110.2 Ų110.277%0.7761%0.607SS**  trans-108.958.9161-142.718.4000107.7
640D29.9Very low32.7Very low146 Ų146107.9 Ų107.978%0.78159%0.587SS**  trans-96.683.6160.6-80.5-22.5000106.5
641T29.2Very low33.3Very low119 Ų119109.6 Ų109.673%0.7359%0.589SS**SBendtrans174.8109.314530.60000112.7D643T641-D643 PolarHBondContact O-N 3.02Å
642S40.5Very low34.1Very low118 Ų118111 Ų11183%0.82560%0.601SS**  trans31.275143.164.80000120
643D34.4Very low35.1Very low117 Ų117106.9 Ų106.963%0.62660%0.601SS**  trans-151.778.8146-145.2-6.1000113.1T641 G645T641-D643 PolarHBondContact O-N 3.02Å; D643-G645 PolarHBondContact O-N 3.44Å
644S34.5Very low36.1Very low108 Ų108105.7 Ų105.776%0.75559%0.593SS**Hα-helixtrans-71.6-12.6-177.462.70000114
645G31.1Very low37.4Very low43 Ų43102 Ų10244%0.44358%0.584SS.*Hα-helixtrans-77.7-46.8-178.200000113.6D643 T647 R648 A649D643-G645 PolarHBondContact O-N 3.44Å; G645-T647 PolarHBondContact O-N 2.97Å; G645-R648 PolarHBondContact O-N 3.28Å; G645-A649 PolarHBondContact O-N 3.49Å; G645-A649 VanDerWaalsContact O-N 3.07Å
646S40.8Very low38.5Very low76 Ų7699 Ų9953%0.53158%0.577SS.*Hα-helixtrans-58.8-48.6178.8170.50000111.7R648 A649 Y650S646-R648 VanDerWaalsContact C-N 3.31Å; S646-R648 PolarHBondContact O-N 3.36Å; S646-A649 PolarHBondContact O-N 3.13Å; S646-Y650 WeakPolarHBondContact O-CB 3.26Å; S646-Y650 PolarHBondContact O-N 3.3Å
647T37.2Very low40.5Very low63 Ų6399.6 Ų99.639%0.38757%0.568SS.*Hα-helixtrans-63.3-35.6-179.1-470000112.3G645 R651G645-T647 PolarHBondContact O-N 2.97Å; T647-R651 WeakPolarHBondContact O-CB 3.19Å; T647-R651 WeakPolarHBondContact O-CG 3.46Å; T647-R651 PolarHBondContact O-N 3.26Å
648R38.1Very low42.8Very low191 Ų19194.7 Ų94.772%0.72154%0.537SS*.Hα-helixtrans-75.5-42.2179.8-162.1176.6-166.9176.73.3112.4G645 S646 Y650 R651 T652G645-R648 PolarHBondContact O-N 3.28Å; S646-R648 VanDerWaalsContact C-N 3.31Å; S646-R648 PolarHBondContact O-N 3.36Å; R648-Y650 VanDerWaalsContact C-N 3.3Å; R648-R651 PolarHBondContact O-N 3.39Å; R648-T652 PolarHBondContact O-N 3.38Å; R648-T652 PolarHBondContact O-OG1 2.82Å
649A39.6Very low45.1Very low60 Ų6090.8 Ų90.850%0.49651%0.511SS..Hα-helixtrans-61.9-40.2173.600000111.2G645 S646 T652 A653G645-A649 PolarHBondContact O-N 3.49Å; G645-A649 VanDerWaalsContact O-N 3.07Å; S646-A649 PolarHBondContact O-N 3.13Å; A649-T652 WeakPolarHBondContact CA-OG1 3.29Å; A649-T652 PolarHBondContact O-N 2.92Å; A649-T652 PolarHBondContact O-OG1 3.31Å; A649-T652 VanDerWaalsContact O-OG1 3.14Å; A649-A653 WeakPolarHBondContact O-CB 3.25Å; A649-A653 PolarHBondContact O-N 3.44Å
650Y43.5Very low47.3Very low108 Ų10889.2 Ų89.242%0.42451%0.509SS..Hα-helixtrans-69.3-36.9176.5-160.7-105.6000112.9I621 S646 R648 R654I621-Y650 HydrophobicContact CD1-CE1 3.67Å; S646-Y650 WeakPolarHBondContact O-CB 3.26Å; S646-Y650 PolarHBondContact O-N 3.3Å; R648-Y650 VanDerWaalsContact C-N 3.3Å; Y650-R654 WeakPolarHBondContact O-CB 3.37Å; Y650-R654 PolarHBondContact O-N 2.78Å; Y650-R654 PolarHBondContact OH-NH1 2.87Å
651R42.8Very low49.6Very low145 Ų14584.8 Ų84.855%0.54750%0.498SS..Hα-helixtrans-63.3-42.9170.7-77.8173.7-166.8160.37.6112T647 R648 R654 S655T647-R651 WeakPolarHBondContact O-CB 3.19Å; T647-R651 WeakPolarHBondContact O-CG 3.46Å; T647-R651 PolarHBondContact O-N 3.26Å; R648-R651 PolarHBondContact O-N 3.39Å; R651-R654 PolarHBondContact O-N 2.81Å; R651-S655 PolarHBondContact O-N 3.48Å; R651-S655 PolarHBondContact O-OG 2.91Å
652T45.3Very low52.1Low92 Ų9282.6 Ų82.656%0.56449%0.486SS*.Hα-helixtrans-71.6-40.9-178.122.30000112.9R648 A649 R654 S655R648-T652 PolarHBondContact O-N 3.38Å; R648-T652 PolarHBondContact O-OG1 2.82Å; A649-T652 WeakPolarHBondContact CA-OG1 3.29Å; A649-T652 PolarHBondContact O-N 2.92Å; A649-T652 PolarHBondContact O-OG1 3.31Å; A649-T652 VanDerWaalsContact O-OG1 3.14Å; T652-R654 PolarHBondContact O-N 3.34Å; T652-R654 VanDerWaalsContact O-N 3.12Å; T652-S655 PolarHBondContact O-OG 3.46Å
653A47.5Very low54.3Low74 Ų7479.6 Ų79.661%0.61246%0.456SS*.Hα-helixtrans-67.4-6.417400000113.7A649 S656A649-A653 WeakPolarHBondContact O-CB 3.25Å; A649-A653 PolarHBondContact O-N 3.44Å; A653-S656 VanDerWaalsContact C-OG 3.24Å; A653-S656 PolarHBondContact O-OG 3.49Å
654R51.8Low56.8Low27 Ų2774 Ų7410%0.10243%0.426CS..Hα-helixtrans-126.8-25.8-169.5-160.1179.1-168143.73.3114.9Y619 S620 Y650 R651 T652 S656 R657Y619-R654 HydrophobicContact CD1-CG 4.5Å; S620-R654 PolarHBondContact O-NH2 3.06Å; Y650-R654 WeakPolarHBondContact O-CB 3.37Å; Y650-R654 PolarHBondContact O-N 2.78Å; Y650-R654 PolarHBondContact OH-NH1 2.87Å; R651-R654 PolarHBondContact O-N 2.81Å; T652-R654 PolarHBondContact O-N 3.34Å; T652-R654 VanDerWaalsContact O-N 3.12Å; R654-S656 PolarHBondContact O-N 3.34Å; R654-R657 WeakPolarHBondContact O-CB 3.28Å; R654-R657 PolarHBondContact O-N 3.22Å
655S51.3Low59.4Low69 Ų6969.1 Ų69.148%0.48339%0.392SS..Hα-helixtrans-55.6-23.5157.3600000111R651 T652 R657R651-S655 PolarHBondContact O-N 3.48Å; R651-S655 PolarHBondContact O-OG 2.91Å; T652-S655 PolarHBondContact O-OG 3.46Å; S655-R657 VanDerWaalsContact C-N 3.31Å; S655-R657 PolarHBondContact O-N 3.01Å
656S58.2Low61.9Low47 Ų4767.4 Ų67.433%0.32937%0.372SS..THydrogen-bonded Turntrans-70.3-14.9171.8740000114.3A653 R654 F658 N670A653-S656 VanDerWaalsContact C-OG 3.24Å; A653-S656 PolarHBondContact O-OG 3.49Å; R654-S656 PolarHBondContact O-N 3.34Å; S656-F658 VanDerWaalsContact C-N 3.35Å; S656-F658 PolarHBondContact O-N 2.86Å; S656-N670 WeakPolarHBondContact O-CB 3.32Å; S656-N670 PolarHBondContact O-ND2 3.2Å
657R69.4Low63.9Low86 Ų8664.4 Ų64.433%0.32535%0.351SS..THydrogen-bonded Turntrans-68.8-33.9-178.5-179.2-175.8-68.7175.1-2.6112.4R654 S655 I669 N670R654-R657 WeakPolarHBondContact O-CB 3.28Å; R654-R657 PolarHBondContact O-N 3.22Å; S655-R657 VanDerWaalsContact C-N 3.31Å; S655-R657 PolarHBondContact O-N 3.01Å; R657-I669 CarbonylContact O-C 3.11Å; R657-N670 WeakPolarHBondContact O-CB 3.45Å; R657-N670 PolarHBondContact O-N 2.89Å
658F76.8Confident66.1Low16 Ų1661.9 Ų61.97%0.0734%0.335CS..BIsolated β-bridgetrans-93.9144-177.5-60.1-62.7000110.4W263 I618 Y619 S656 W668W263-F658 HydrophobicContact CB-CE1 4.35Å; W263-F658 AromaticContact CD1-CE1 3.39Å; W263-F658 AromaticContact CD1-CZ 3.45Å; W263-F658 VanDerWaalsContact CD1-CZ 3.45Å; W263-F658 HydrophobicContact CD2-CE1 4.19Å; W263-F658 AromaticContact CG-CE1 3.75Å; W263-F658 HydrophobicContact CG-CE1 3.75Å; W263-F658 HydrophobicContact CG-CZ 4.23Å; W263-F658 AromaticContact NE1-CE1 3.62Å; W263-F658 AromaticContact NE1-CZ 3.31Å; W263-F658 VanDerWaalsContact NE1-CZ 3.31Å; I618-F658 HydrophobicContact CG2-CE2 3.82Å; I618-F658 HydrophobicContact CG2-CZ 4.19Å; I618-F658 WeakPolarHBondContact O-CZ 3.43Å; Y619-F658 HydrophobicContact CD1-CD2 4.36Å; Y619-F658 AromaticContact CD1-CE2 3.67Å; Y619-F658 HydrophobicContact CD1-CE2 3.67Å; Y619-F658 AromaticContact CE1-CD2 3.73Å; Y619-F658 HydrophobicContact CE1-CD2 3.73Å; Y619-F658 AromaticContact CE1-CE2 3.45Å; Y619-F658 HydrophobicContact CE1-CE2 3.45Å; Y619-F658 VanDerWaalsContact CE1-CE2 3.45Å; S656-F658 VanDerWaalsContact C-N 3.35Å; S656-F658 PolarHBondContact O-N 2.86Å; F658-W668 HydrophobicContact CD1-CE3 4.05Å; F658-W668 HydrophobicContact CD1-CZ3 4.29Å; F658-W668 HydrophobicContact CE1-CE3 4.04Å; F658-W668 AromaticContact CE1-CZ3 3.89Å; F658-W668 HydrophobicContact CE1-CZ3 3.89Å
659R75.3Confident68Low58 Ų5854.5 Ų54.522%0.21931%0.309CS..PPolyproline II helixtrans-63.9132.4171.2-175.5-179.3176.9-163.43109.8D278 W668D278-R659 IonicContact OD1-CZ 3.2Å; D278-R659 IonicContact OD1-NH1 3.31Å; D278-R659 PolarHBondContact OD1-NH1 3.41Å; D278-R659 IonicContact OD1-NH2 2.79Å; D278-R659 PolarHBondContact OD1-NH2 3.34Å; D278-R659 IonicContact OD2-NH1 3.9Å; D278-R659 PolarHBondContact OD2-NH1 2.98Å; R659-W668 PolarHBondContact N-O 2.98Å
660P75.4Confident69.5Low110 Ų11053.1 Ų53.171%0.71429%0.293SS*.SBendtrans-67.6144.517327-33.1000111.5
661G79Confident70.4Confident54 Ų5449.5 Ų49.556%0.55728%0.283SS*.SBendtrans87.7-162.718000000114.4
662P82.3Confident71.2Confident73 Ų7348.7 Ų48.747%0.47429%0.29SS..SBendtrans-68.1140.8-179.622.8-27.7000110.6L274 R277L274-P662 HydrophobicContact CD1-CB 4.44Å; L274-P662 HydrophobicContact CD2-CB 3.7Å; L274-P662 HydrophobicContact CD2-CG 3.66Å; R277-P662 PolarHBondContact NH1-O 2.63Å; R277-P662 PolarHBondContact NH2-O 3.41Å
663R86.6Confident71.8Confident54 Ų5446.5 Ų46.520%0.20428%0.278CS..  trans-114.9161.5-172.2-69.8172-69.7167.31.7110.1Q262 W263 V264 T266 W668Q262-R663 PolarHBondContact O-NH1 3.05Å; Q262-R663 PolarHBondContact O-NH2 3.15Å; W263-R663 WeakPolarHBondContact O-CD 3.33Å; W263-R663 VanDerWaalsContact O-CZ 3.29Å; W263-R663 PolarHBondContact O-NE 3.18Å; W263-R663 PolarHBondContact O-NH1 3.23Å; V264-R663 CarbonylContact O-C 3.58Å; V264-R663 VanDerWaalsContact O-CB 3.26Å; V264-R663 WeakPolarHBondContact O-CB 3.49Å; T266-R663 VanDerWaalsContact CG2-O 3.22Å; T266-R663 WeakPolarHBondContact CG2-O 3.46Å; R663-W668 HydrophobicContact CB-CB 4.11Å; R663-W668 HydrophobicContact CG-CB 4.45Å
664S86.7Confident72Confident0 Ų045.7 Ų45.70%026%0.263CS..  trans-146.7170.4175.3740000110.5V264 L666 C667 W668V264-S664 PolarHBondContact O-N 3.49Å; S664-L666 PolarHBondContact O-N 3.24Å; S664-L666 PolarHBondContact OG-N 3.43Å; S664-C667 PolarHBondContact N-O 3.39Å; S664-C667 CarbonylContact O-C 3.57Å; S664-C667 VanDerWaalsContact O-C 3.28Å; S664-C667 PolarHBondContact O-N 2.99Å; S664-C667 VanDerWaalsContact O-N 3.17Å; S664-C667 PolarHBondContact OG-N 3.36Å; S664-W668 WeakPolarHBondContact O-CB 3.38Å; S664-W668 PolarHBondContact O-N 3.27Å
665I87.9Confident71.9Confident6 Ų649.6 Ų49.63%0.03129%0.292CS..SBendtrans-60-26.9176.3-166.5-175.7000111.8V264 I270 G539 Y540 V728 L804V264-I665 HydrophobicContact CG1-CB 4.32Å; I270-I665 HydrophobicContact CD1-CG2 3.7Å; I270-I665 HydrophobicContact CG1-CG2 4.47Å; G539-I665 VanDerWaalsContact O-CD1 3.29Å; G539-I665 WeakPolarHBondContact O-CD1 2.92Å; Y540-I665 HydrophobicContact CD1-CD1 3.62Å; Y540-I665 HydrophobicContact CD1-CG1 4.3Å; Y540-I665 HydrophobicContact CD2-CD1 3.69Å; Y540-I665 HydrophobicContact CE1-CB 4.44Å; Y540-I665 HydrophobicContact CE1-CD1 3.64Å; Y540-I665 HydrophobicContact CE1-CG1 3.93Å; Y540-I665 HydrophobicContact CE2-CD1 3.68Å; Y540-I665 HydrophobicContact CE2-CG1 4.47Å; Y540-I665 HydrophobicContact CG-CD1 3.65Å; I665-V728 HydrophobicContact CG2-CG1 4.09Å; I665-L804 HydrophobicContact CG1-CD1 4.09Å
666L84.3Confident71.3Confident6 Ų653 Ų533%0.03131%0.31CS..SBendtrans-75.6-41.9178.1-59.3170.3000111.1I270 S664 H726 V728 V793 Q799 L855I270-L666 HydrophobicContact CD1-CD1 4Å; I270-L666 HydrophobicContact CD1-CG 4.11Å; S664-L666 PolarHBondContact O-N 3.24Å; S664-L666 PolarHBondContact OG-N 3.43Å; L666-H726 WeakPolarHBondContact CD2-ND1 3.3Å; L666-V728 HydrophobicContact CD1-CG2 4.43Å; L666-V728 HydrophobicContact CD2-CG1 3.94Å; L666-V728 HydrophobicContact CG-CG1 4.4Å; L666-V793 HydrophobicContact CD1-CB 4.39Å; L666-V793 HydrophobicContact CD1-CG1 4.34Å; L666-V793 HydrophobicContact CD1-CG2 3.83Å; L666-V793 HydrophobicContact CD2-CB 4.05Å; L666-V793 HydrophobicContact CD2-CG1 4.19Å; L666-V793 HydrophobicContact CD2-CG2 4.26Å; L666-Q799 PolarHBondContact O-NE2 3Å; L666-L855 HydrophobicContact CB-CD1 4.15Å
667C81.8Confident70.4Confident13 Ų1354.6 Ų54.69%0.08833%0.334CS..SBendtrans-140.385.5-173.7-72.80000112.1S664S664-C667 PolarHBondContact N-O 3.39Å; S664-C667 CarbonylContact O-C 3.57Å; S664-C667 VanDerWaalsContact O-C 3.28Å; S664-C667 PolarHBondContact O-N 2.99Å; S664-C667 VanDerWaalsContact O-N 3.17Å; S664-C667 PolarHBondContact OG-N 3.36Å
668W83.8Confident68.8Low11 Ų1155.9 Ų55.94%0.04236%0.356CS..  trans-119.8-23.717264.3-84.6000113.8W263 V264 F658 R659 R663 S664 T802 L804W263-W668 HydrophobicContact CB-CD2 4.37Å; W263-W668 HydrophobicContact CB-CE3 3.83Å; W263-W668 HydrophobicContact CB-CZ3 4.21Å; W263-W668 HydrophobicContact CD2-CE3 4.44Å; W263-W668 HydrophobicContact CD2-CH2 4.37Å; W263-W668 AromaticContact CD2-CZ3 3.91Å; W263-W668 HydrophobicContact CD2-CZ3 3.91Å; W263-W668 HydrophobicContact CE3-CE3 4.4Å; W263-W668 AromaticContact CE3-CH2 3.7Å; W263-W668 HydrophobicContact CE3-CH2 3.7Å; W263-W668 HydrophobicContact CE3-CZ2 4.38Å; W263-W668 AromaticContact CE3-CZ3 3.7Å; W263-W668 HydrophobicContact CE3-CZ3 3.7Å; W263-W668 HydrophobicContact CG-CE3 4.27Å; W263-W668 HydrophobicContact CG-CZ3 4.18Å; W263-W668 AromaticContact CZ3-CH2 3.98Å; W263-W668 HydrophobicContact CZ3-CH2 3.98Å; W263-W668 HydrophobicContact CZ3-CZ3 4.31Å; W263-W668 WeakPolarHBondContact O-CB 3.26Å; V264-W668 HydrophobicContact CG2-CG 4.34Å; F658-W668 HydrophobicContact CD1-CE3 4.05Å; F658-W668 HydrophobicContact CD1-CZ3 4.29Å; F658-W668 HydrophobicContact CE1-CE3 4.04Å; F658-W668 AromaticContact CE1-CZ3 3.89Å; F658-W668 HydrophobicContact CE1-CZ3 3.89Å; R659-W668 PolarHBondContact N-O 2.98Å; R663-W668 HydrophobicContact CB-CB 4.11Å; R663-W668 HydrophobicContact CG-CB 4.45Å; S664-W668 WeakPolarHBondContact O-CB 3.38Å; S664-W668 PolarHBondContact O-N 3.27Å; W668-T802 HydrophobicContact CH2-CG2 3.98Å; W668-T802 HydrophobicContact CZ2-CG2 4.05Å; W668-L804 HydrophobicContact CZ2-CD2 3.89Å
669I79.7Confident67.3Low36 Ų3657.4 Ų57.419%0.18536%0.364CS..BIsolated β-bridgetrans-86.3144.5174.9-56.4169.8000109.3R657 L674R657-I669 CarbonylContact O-C 3.11Å; I669-L674 HydrophobicContact CB-CD1 4.43Å; I669-L674 HydrophobicContact CG2-CD1 3.58Å
670N70.7Confident65.8Low30 Ų3058.3 Ų58.316%0.1638%0.379CS..  trans-74.4121.3167.5-177.2-4.9000109.5S656 R657 N672 S673S656-N670 WeakPolarHBondContact O-CB 3.32Å; S656-N670 PolarHBondContact O-ND2 3.2Å; R657-N670 WeakPolarHBondContact O-CB 3.45Å; R657-N670 PolarHBondContact O-N 2.89Å; N670-N672 VanDerWaalsContact C-N 3.26Å; N670-N672 PolarHBondContact O-N 2.86Å; N670-N672 PolarHBondContact OD1-N 3.38Å; N670-N672 VanDerWaalsContact OD1-N 3.15Å; N670-S673 WeakPolarHBondContact O-CB 3.11Å; N670-S673 PolarHBondContact O-N 3.17Å; N670-S673 PolarHBondContact O-OG 3.48Å
671P61.2Low64.5Low32 Ų3259 Ų5921%0.20837%0.371CS..G310 helixtrans-48-43.9175.921.8-38.7000115.3S673 L674 T858P671-S673 PolarHBondContact O-N 2.85Å; P671-L674 PolarHBondContact O-N 3.26Å; P671-T858 HydrophobicContact CB-CG2 4.45Å; P671-T858 WeakPolarHBondContact CB-O 3.22Å; P671-T858 WeakPolarHBondContact CB-OG1 3.01Å; P671-T858 HydrophobicContact CG-CG2 4.2Å
672N59.2Low62.8Low129 Ų12962.9 Ų62.969%0.6938%0.376SS*.G310 helixtrans-67.7-7.4-175.1-57.61.9000112.7N670N670-N672 VanDerWaalsContact C-N 3.26Å; N670-N672 PolarHBondContact O-N 2.86Å; N670-N672 PolarHBondContact OD1-N 3.38Å; N670-N672 VanDerWaalsContact OD1-N 3.15Å
673S58.3Low60.8Low45 Ų4562.1 Ų62.132%0.31537%0.371SS..G310 helixtrans-98.5-4.6176.772.70000114N670 P671N670-S673 WeakPolarHBondContact O-CB 3.11Å; N670-S673 PolarHBondContact O-N 3.17Å; N670-S673 PolarHBondContact O-OG 3.48Å; P671-S673 PolarHBondContact O-N 2.85Å
674L52.9Low59Low57 Ų5762.1 Ų62.130%0.29838%0.377SS..SBendtrans-73133.4176.6-8980.7000110.3I669 P671 T676 Q798I669-L674 HydrophobicContact CB-CD1 4.43Å; I669-L674 HydrophobicContact CG2-CD1 3.58Å; P671-L674 PolarHBondContact O-N 3.26Å; L674-T676 PolarHBondContact O-N 3.29Å; L674-Q798 HydrophobicContact CD2-CB 3.41Å; L674-Q798 VanDerWaalsContact CD2-CB 3.41Å; L674-Q798 HydrophobicContact CD2-CG 4.21Å
675P48.4Very low56.4Low109 Ų10967.7 Ų67.771%0.70842%0.416SS*.  trans-60.2127.7172.4-19.630.3000111.1G677P675-G677 PolarHBondContact O-N 2.96Å
676T39.1Very low53.8Low140 Ų14071.3 Ų71.386%0.85943%0.432SS*.  trans-70.3114.4165.746.30000108L674 S678L674-T676 PolarHBondContact O-N 3.29Å; T676-S678 PolarHBondContact O-N 2.96Å
677G39.1Very low51.1Low82 Ų8277.3 Ų77.385%0.84547%0.469SS*.  trans-65.9114-165.600000114.3P675P675-G677 PolarHBondContact O-N 2.96Å
678S35.7Very low48.3Very low112 Ų11285.2 Ų85.278%0.78351%0.505SS*.  trans-106.5101.4152.366.10000108.5T676T676-S678 PolarHBondContact O-N 2.96Å
679Q45.6Very low45.7Very low49 Ų4991.1 Ų91.123%0.22953%0.528CS..  trans-78.6138.3163.2-69.8-172.21.100108.6K681 N717Q679-K681 PolarHBondContact O-N 3.4Å; Q679-N717 PolarHBondContact NE2-O 2.84Å
680S44.6Very low43.1Very low76 Ų7694.7 Ų94.753%0.53155%0.553SS.*  trans-60.3125.6168.4174.50000108.9M682S680-M682 VanDerWaalsContact C-N 3.27Å; S680-M682 PolarHBondContact OG-N 2.89Å
681K47.5Very low41Very low126 Ų126100.7 Ų100.755%0.54859%0.585SS.*  trans-86.2-1.2173.1-64.9-173.1176.9-168.80112.6E524 Q679E524-K681 IonicContact OE2-NZ 3.97Å; Q679-K681 PolarHBondContact O-N 3.4Å
682M42.6Very low39.3Very low135 Ų135106.1 Ų106.167%0.66561%0.613SS**SBendtrans-83.7141.6-178-67.3-71.514100110.4S680S680-M682 VanDerWaalsContact C-N 3.27Å; S680-M682 PolarHBondContact OG-N 2.89Å
683P40.1Very low37.8Very low57 Ų57104.2 Ų104.237%0.3761%0.61SS.*EExtended strand (participates in β ladder)trans-60.814417025.7-32.1000110.3S685 E711 Y713P683-S685 PolarHBondContact O-N 3.48Å; P683-E711 HydrophobicContact CB-CB 4.29Å; P683-E711 HydrophobicContact CB-CG 4.42Å; P683-Y713 HydrophobicContact CB-CE1 4.23Å
684V49.3Very low36.3Very low53 Ų53109.4 Ų109.432%0.32163%0.634SS.*EExtended strand (participates in β ladder)trans-74.5119.7169.8-178.40000107.2H686 S712 D714V684-H686 PolarHBondContact O-N 3.32Å; V684-H686 VanDerWaalsContact O-N 3.08Å; V684-S712 PolarHBondContact N-O 2.84Å; V684-S712 PolarHBondContact O-OG 2.91Å; V684-D714 HydrophobicContact CG2-CB 3.77Å
685S32.8Very low35.3Very low117 Ų117112.3 Ų112.382%0.81865%0.654SS**  trans-69.2101.3169.655.90000109.3P683P683-S685 PolarHBondContact O-N 3.48Å
686H32.6Very low34.2Very low82 Ų82116.8 Ų116.838%0.3867%0.665SS.*PPolyproline II helixtrans-80.7135.1158.9-86.2-72000109.2D427 V684 Q688 Y689 S712D427-H686 IonicContact OD2-CD2 2.98Å; D427-H686 IonicContact OD2-CE1 2.76Å; D427-H686 IonicContact OD2-NE2 3.85Å; D427-H686 PolarHBondContact OD2-NE2 2.88Å; V684-H686 PolarHBondContact O-N 3.32Å; V684-H686 VanDerWaalsContact O-N 3.08Å; H686-Q688 PolarHBondContact O-N 2.91Å; H686-Y689 HydrophobicContact CB-CE2 4.05Å; H686-Y689 PolarHBondContact CE1-OH 3.28Å; H686-Y689 AromaticContact CG-CE2 3.98Å; H686-Y689 AromaticContact ND1-CE2 3.93Å; H686-Y689 AromaticContact ND1-CZ 3.98Å; H686-Y689 PolarHBondContact ND1-OH 2.89Å; H686-S712 PolarHBondContact CD2-OG 3.43Å
687V27.8Very low33.6Very low132 Ų132117.1 Ų117.180%0.866%0.66SS**PPolyproline II helixtrans-55.2122.2158.3176.80000107Y689V687-Y689 PolarHBondContact O-N 3.41Å
688Q22.5Very low33Very low180 Ų180119.6 Ų119.684%0.84165%0.654SS**PPolyproline II helixtrans-46.3123.4176.4-85.2173-32.900110.5H686 P690H686-Q688 PolarHBondContact O-N 2.91Å; Q688-P690 VanDerWaalsContact O-CD 3.25Å; Q688-P690 WeakPolarHBondContact O-CD 3.4Å
689Y29.7Very low32.9Very low134 Ų134119.6 Ų119.653%0.52565%0.651SS.*  trans-74.2113.5174.1-67.5-94.8000108.7L184 H686 V687 N691L184-Y689 HydrophobicContact CD2-CD1 4.38Å; L184-Y689 HydrophobicContact CD2-CE1 3.41Å; L184-Y689 VanDerWaalsContact CD2-CE1 3.41Å; H686-Y689 HydrophobicContact CB-CE2 4.05Å; H686-Y689 PolarHBondContact CE1-OH 3.28Å; H686-Y689 AromaticContact CG-CE2 3.98Å; H686-Y689 AromaticContact ND1-CE2 3.93Å; H686-Y689 AromaticContact ND1-CZ 3.98Å; H686-Y689 PolarHBondContact ND1-OH 2.89Å; V687-Y689 PolarHBondContact O-N 3.41Å; Y689-N691 PolarHBondContact O-N 3.04Å
690P25.7Very low31.9Very low111 Ų111127.6 Ų127.672%0.72168%0.681SS**  trans-70.5124.6170.3-8.325.6000107.4Q688 N692Q688-P690 VanDerWaalsContact O-CD 3.25Å; Q688-P690 WeakPolarHBondContact O-CD 3.4Å; P690-N692 PolarHBondContact O-N 2.74Å
691N25.3Very low31.2Very low156 Ų156129.2 Ų129.283%0.83469%0.692SS**  trans-56.793161.5-82-22.8000107.7Y689 S693Y689-N691 PolarHBondContact O-N 3.04Å; N691-S693 PolarHBondContact O-N 2.99Å
692N27.4Very low30.1Very low147 Ų147128.8 Ų128.879%0.78671%0.705SS**  trans-72.581.1165.6-101.9-4.9000107.3P690 N694P690-N692 PolarHBondContact O-N 2.74Å; N692-N694 VanDerWaalsContact C-N 3.28Å; N692-N694 PolarHBondContact O-N 3.38Å
693S26.3Very low29.3Very low89 Ų89129.5 Ų129.562%0.62271%0.712SS**  trans-62.389.416351.90000108.4N691N691-S693 PolarHBondContact O-N 2.99Å
694N27.7Very low28.6Very low154 Ų154136.1 Ų136.182%0.82474%0.738SS**  trans-138.831.5162.5-88.4-18.5000110.8N692N692-N694 VanDerWaalsContact C-N 3.28Å; N692-N694 PolarHBondContact O-N 3.38Å
695T30.8Very low27.6Very low117 Ų117141.2 Ų141.272%0.71876%0.761SS**SBendtrans-125.9115163.933.30000107.8I697T695-I697 PolarHBondContact O-N 2.91Å; T695-I697 VanDerWaalsContact O-N 3.09Å
696E26.3Very low27.2Very low204 Ų204142.8 Ų142.895%0.95376%0.756SS**  trans-37.3106.5-179.4-67.2168.7157.900112.3
697I27.1Very low27.1Very low147 Ų147144.2 Ų144.275%0.75478%0.775SS**  trans-85115.5170.9-62.7176.9000107.2T695T695-I697 PolarHBondContact O-N 2.91Å; T695-I697 VanDerWaalsContact O-N 3.09Å
698N25.3Very low27.5Very low134 Ų134146.8 Ų146.872%0.71777%0.772SS**  trans-61.9128172.1-160.3-2.5000109.5Y700N698-Y700 VanDerWaalsContact C-N 3.25Å; N698-Y700 PolarHBondContact O-N 3.37Å
699P33.8Very low28.3Very low111 Ų111145.6 Ų145.672%0.72177%0.771SS**SBendtrans-76.318.7-162.1-15.530.9000117.6
700Y25Very low29.4Very low217 Ų217144.5 Ų144.585%0.85177%0.774SS**  trans-126.868.6-177.5-73.6-81.7000112.4N698N698-Y700 VanDerWaalsContact C-N 3.25Å; N698-Y700 PolarHBondContact O-N 3.37Å
701S30.5Very low31.5Very low110 Ų110144.3 Ų144.377%0.76976%0.763SS**  trans-157.683.1147.175.20000110.4N703S701-N703 PolarHBondContact O-N 3.42Å
702S23Very low34Very low117 Ų117137.3 Ų137.382%0.81873%0.726SS**  trans-74.397.7164.147.30000108.8
703N27.4Very low36.6Very low151 Ų151130.7 Ų130.781%0.80769%0.691SS**  trans-138.7104.3155-88.5-19.9000106.9S701 I705S701-N703 PolarHBondContact O-N 3.42Å; N703-I705 PolarHBondContact O-N 2.98Å; N703-I705 VanDerWaalsContact O-N 3.11Å
704E24.8Very low39.3Very low195 Ų195128.7 Ų128.791%0.91167%0.673SS**  trans-58106175.2-68172.715200109.7Q706E704-Q706 PolarHBondContact O-N 2.98Å
705I27.9Very low41.9Very low160 Ų160121.8 Ų121.882%0.82164%0.636SS**  trans-80.2106.6166.5-61.7175.1000106.1N703 S707N703-I705 PolarHBondContact O-N 2.98Å; N703-I705 VanDerWaalsContact O-N 3.11Å; I705-S707 PolarHBondContact O-N 3.19Å; I705-S707 VanDerWaalsContact O-N 3.13Å
706Q25.3Very low44.2Very low151 Ų151117.6 Ų117.671%0.70661%0.611SS**  trans-51116.2171-71.8175.4-12.900109.7E704 Y708E704-Q706 PolarHBondContact O-N 2.98Å; Q706-Y708 PolarHBondContact O-N 3.26Å
707S29.2Very low46.8Very low111 Ų111111.1 Ų111.178%0.77658%0.583SS**  trans-71.190.7176.953.20000110I705 D709I705-S707 PolarHBondContact O-N 3.19Å; I705-S707 VanDerWaalsContact O-N 3.13Å; S707-D709 PolarHBondContact O-N 2.76Å
708Y37.3Very low49.8Very low186 Ų186104.2 Ų104.273%0.72955%0.548SS*.  trans-64.4123.7158-74.5-85.9000107.6Q706 L710Q706-Y708 PolarHBondContact O-N 3.26Å; Y708-L710 WeakPolarHBondContact O-CG 3.41Å; Y708-L710 PolarHBondContact O-N 3.2Å
709D38.7Very low52.9Low155 Ų15597.9 Ų97.983%0.82951%0.514SS*.  trans-51.5112.3172.2-80.3-45.2000109.6S707 E711S707-D709 PolarHBondContact O-N 2.76Å; D709-E711 VanDerWaalsContact C-N 3.33Å; D709-E711 PolarHBondContact O-N 3.1Å
710L53.4Low55.7Low111 Ų11192.6 Ų92.658%0.58148%0.48SS*.  trans-87.569.7-164.4-96.5157.3000111.2Y708 S712Y708-L710 WeakPolarHBondContact O-CG 3.41Å; Y708-L710 PolarHBondContact O-N 3.2Å; L710-S712 PolarHBondContact O-N 3.37Å
711E69.8Low58.7Low107 Ų10782.2 Ų82.250%0.544%0.439SS..  trans-63.7116.7168-69.6-175171.400110.3P683 D709 Y713P683-E711 HydrophobicContact CB-CB 4.29Å; P683-E711 HydrophobicContact CB-CG 4.42Å; D709-E711 VanDerWaalsContact C-N 3.33Å; D709-E711 PolarHBondContact O-N 3.1Å; E711-Y713 HydrophobicContact CB-CE2 3.75Å; E711-Y713 PolarHBondContact OE2-OH 2.79Å
712S77.5Confident61.5Low9 Ų977.2 Ų77.26%0.06341%0.405CS..EExtended strand (participates in β ladder)trans-94.8142.3173.454.20000110.8V684 H686 L710V684-S712 PolarHBondContact N-O 2.84Å; V684-S712 PolarHBondContact O-OG 2.91Å; H686-S712 PolarHBondContact CD2-OG 3.43Å; L710-S712 PolarHBondContact O-N 3.37Å
713Y82.5Confident64.8Low9 Ų972.5 Ų72.54%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-118.9145.2-178.9-68.1-98.5000111.1G428 R430 I449 P683 E711 L715G428-Y713 WeakPolarHBondContact CA-O 3.39Å; G428-Y713 PolarHBondContact N-O 2.89Å; G428-Y713 PolarHBondContact O-N 2.83Å; R430-Y713 WeakPolarHBondContact CD-OH 3.43Å; R430-Y713 HydrophobicContact CG-CD2 4.03Å; R430-Y713 HydrophobicContact CG-CE1 4.23Å; R430-Y713 HydrophobicContact CG-CE2 3.58Å; I449-Y713 HydrophobicContact CD1-CD1 3.76Å; I449-Y713 HydrophobicContact CD1-CG 4.08Å; I449-Y713 HydrophobicContact CG1-CD1 4.28Å; I449-Y713 HydrophobicContact CG1-CG 4.28Å; I449-Y713 HydrophobicContact CG2-CG 4.33Å; P683-Y713 HydrophobicContact CB-CE1 4.23Å; E711-Y713 HydrophobicContact CB-CE2 3.75Å; E711-Y713 PolarHBondContact OE2-OH 2.79Å; Y713-L715 PolarHBondContact O-N 3.34Å
714D81.6Confident68Low47 Ų4765.5 Ų65.525%0.25133%0.333SS..  trans-76.6122.9178.9-174.643000111.1K548 V684 S716K548-D714 IonicContact NZ-OD1 3.75Å; K548-D714 PolarHBondContact NZ-OD1 2.94Å; V684-D714 HydrophobicContact CG2-CB 3.77Å; D714-S716 PolarHBondContact OD1-N 3.04Å; D714-S716 WeakPolarHBondContact OD2-CB 3.4Å; D714-S716 PolarHBondContact OD2-OG 3.4Å
715L82.3Confident71.2Confident9 Ų956.3 Ų56.35%0.04729%0.29CS..  trans-108.929.6175.3-81.9175.5000111.9I449 H451 Y713 N717 S718I449-L715 HydrophobicContact CB-CD2 4.33Å; I449-L715 HydrophobicContact CG2-CD1 4.21Å; I449-L715 HydrophobicContact CG2-CD2 3.78Å; I449-L715 HydrophobicContact CG2-CG 3.91Å; H451-L715 HydrophobicContact CB-CD1 4.31Å; Y713-L715 PolarHBondContact O-N 3.34Å; L715-N717 VanDerWaalsContact C-N 3.28Å; L715-N717 PolarHBondContact O-N 3.19Å; L715-S718 WeakPolarHBondContact O-CB 3.27Å; L715-S718 PolarHBondContact O-N 2.91Å; L715-S718 VanDerWaalsContact O-N 3.11Å; L715-S718 PolarHBondContact O-OG 3.36Å
716S79.5Confident74.3Confident28 Ų2848.8 Ų48.820%0.19625%0.251CS..THydrogen-bonded Turntrans-50.8-45.4-179.253.80000113.5N547 S549 D714N547-S716 PolarHBondContact ND2-O 3.2Å; N547-S716 PolarHBondContact OD1-O 2.82Å; S549-S716 WeakPolarHBondContact CB-O 3.35Å; S549-S716 PolarHBondContact N-O 3.46Å; S549-S716 VanDerWaalsContact N-O 3.12Å; D714-S716 PolarHBondContact OD1-N 3.04Å; D714-S716 WeakPolarHBondContact OD2-CB 3.4Å; D714-S716 PolarHBondContact OD2-OG 3.4Å
717N80.5Confident77.6Confident69 Ų6941.6 Ų41.637%0.36922%0.218SC..THydrogen-bonded Turntrans-10532.6-179.9-65.7-32.2000113.1S549 Q679 L715S549-N717 WeakPolarHBondContact CB-OD1 3.38Å; S549-N717 PolarHBondContact OG-OD1 3.47Å; Q679-N717 PolarHBondContact NE2-O 2.84Å; L715-N717 VanDerWaalsContact C-N 3.28Å; L715-N717 PolarHBondContact O-N 3.19Å
718S89.8Confident80.5Confident1 Ų136.5 Ų36.51%0.00718%0.182CC..  trans-63.4158.7176.569.20000112.4L518 G519 M520 M521 N547 L715L518-S718 CarbonylContact O-C 3.53Å; L518-S718 VanDerWaalsContact O-C 3.22Å; L518-S718 VanDerWaalsContact O-O 3.14Å; L518-S718 PolarHBondContact O-OG 2.94Å; G519-S718 VanDerWaalsContact C-OG 3.24Å; G519-S718 WeakPolarHBondContact CA-OG 3.39Å; M520-S718 PolarHBondContact N-OG 3.33Å; M521-S718 CarbonylContact O-C 3.59Å; M521-S718 VanDerWaalsContact O-CA 3.25Å; M521-S718 WeakPolarHBondContact O-CA 3.32Å; M521-S718 WeakPolarHBondContact O-CB 3.06Å; N547-S718 PolarHBondContact ND2-O 3.22Å; L715-S718 WeakPolarHBondContact O-CB 3.27Å; L715-S718 PolarHBondContact O-N 2.91Å; L715-S718 VanDerWaalsContact O-N 3.11Å; L715-S718 PolarHBondContact O-OG 3.36Å
719V92.1Very high83.1Confident1 Ų127.8 Ų27.81%0.00615%0.148CC..BIsolated β-bridgetrans-133.7162.9178.1-67.60000110.5L518 M520 M521 A526 P797L518-V719 HydrophobicContact CD1-CB 4.38Å; L518-V719 HydrophobicContact CD1-CG1 4.36Å; L518-V719 CarbonylContact O-C 3.48Å; L518-V719 WeakPolarHBondContact O-CA 3.34Å; L518-V719 PolarHBondContact O-N 3.42Å; L518-V719 VanDerWaalsContact O-N 3.17Å; M520-V719 WeakPolarHBondContact CB-O 3.28Å; M521-V719 WeakPolarHBondContact CG-O 3.42Å; M521-V719 PolarHBondContact N-O 3.45Å; M521-V719 PolarHBondContact O-N 3.21Å; A526-V719 HydrophobicContact CB-CG2 3.58Å; V719-P797 HydrophobicContact CB-CB 3.68Å; V719-P797 HydrophobicContact CB-CG 4.4Å; V719-P797 HydrophobicContact CG1-CB 3.7Å; V719-P797 HydrophobicContact CG2-CB 4.49Å
720F91.9Very high85.3Confident0 Ų020.7 Ų20.70%011%0.11CC..  trans-77.5153.5164.948.8-98.5000110.7A516 P517 L518 M520 I537 V724 P797 F800A516-F720 HydrophobicContact CB-CB 4.11Å; P517-F720 WeakPolarHBondContact O-CB 3.34Å; L518-F720 HydrophobicContact CB-CD1 4.33Å; L518-F720 HydrophobicContact CD1-CD1 3.52Å; L518-F720 HydrophobicContact CD1-CE1 3.49Å; L518-F720 VanDerWaalsContact CD1-CE1 3.49Å; M520-F720 HydrophobicContact SD-CB 3.96Å; I537-F720 HydrophobicContact CD1-CZ 4.48Å; I537-F720 HydrophobicContact CG1-CE1 4.47Å; I537-F720 HydrophobicContact CG1-CE2 4.28Å; I537-F720 HydrophobicContact CG1-CZ 4Å; F720-V724 HydrophobicContact CD2-CG2 3.88Å; F720-V724 HydrophobicContact CE2-CB 3.95Å; F720-V724 HydrophobicContact CE2-CG1 3.46Å; F720-V724 VanDerWaalsContact CE2-CG1 3.46Å; F720-V724 HydrophobicContact CE2-CG2 3.29Å; F720-V724 HydrophobicContact CZ-CG1 3.86Å; F720-V724 HydrophobicContact CZ-CG2 4.3Å; F720-P797 HydrophobicContact CD2-CG 4.29Å; F720-P797 HydrophobicContact CE2-CG 4.1Å; F720-P797 HydrophobicContact CZ-CB 4.45Å; F720-P797 HydrophobicContact CZ-CG 4.48Å; F720-F800 HydrophobicContact CE1-CB 4.14Å; F720-F800 HydrophobicContact CE1-CD2 4.11Å; F720-F800 AromaticContact CE1-CG 4Å; F720-F800 HydrophobicContact CE1-CG 4Å; F720-F800 HydrophobicContact CZ-CD1 4.49Å; F720-F800 AromaticContact CZ-CD2 3.64Å; F720-F800 HydrophobicContact CZ-CD2 3.64Å; F720-F800 AromaticContact CZ-CE2 3.91Å; F720-F800 HydrophobicContact CZ-CE2 3.91Å; F720-F800 AromaticContact CZ-CG 3.96Å; F720-F800 HydrophobicContact CZ-CG 3.96Å; F720-F800 HydrophobicContact CZ-CZ 4.45Å
721G86.8Confident86.7Confident0 Ų017.5 Ų17.50%010%0.095CC..  trans-89.1159.9-171.400000114.6M521 S535M521-G721 VanDerWaalsContact SD-CA 3.55Å; S535-G721 PolarHBondContact OG-O 2.61Å
722G90.2Very high86.8Confident5 Ų515.8 Ų15.85%0.0529%0.092CC..SBendtrans84.9-165.3168.800000115A526 L533A526-G722 PolarHBondContact O-N 3.48Å; L533-G722 CarbonylContact O-C 3.54Å; L533-G722 VanDerWaalsContact O-CA 3.23Å; L533-G722 WeakPolarHBondContact O-CA 3.44Å
723L93.2Very high86Confident17 Ų1718.7 Ų18.79%0.08911%0.107CC..EExtended strand (participates in β ladder)trans-70150.1171-63.8173.6000110V286 I288 W299 L300 K530 L533 L534 S535 W794V286-L723 HydrophobicContact CG1-CD2 4.32Å; I288-L723 HydrophobicContact CD1-CD1 4.22Å; W299-L723 HydrophobicContact CH2-CD1 4.28Å; W299-L723 HydrophobicContact CZ2-CD1 4.26Å; L300-L723 HydrophobicContact CD1-CD1 4.21Å; L300-L723 HydrophobicContact CD2-CD1 4.38Å; K530-L723 HydrophobicContact CB-CD2 4.42Å; K530-L723 HydrophobicContact CG-CD2 4.45Å; L533-L723 PolarHBondContact O-N 3.06Å; L534-L723 CarbonylContact C-O 3.55Å; L534-L723 HydrophobicContact CD1-CB 3.99Å; S535-L723 PolarHBondContact N-O 2.96Å; L723-W794 HydrophobicContact CB-CE3 4.41Å; L723-W794 HydrophobicContact CB-CH2 4.5Å; L723-W794 HydrophobicContact CB-CZ3 3.75Å; L723-W794 HydrophobicContact CD1-CZ3 4.47Å
724V92.6Very high84.6Confident4 Ų423.7 Ų23.72%0.02414%0.139CC..EExtended strand (participates in β ladder)trans-124.9114.9-174.4-178.50000111.4S535 F720 W794 S795 P797 F800S535-V724 CarbonylContact O-C 2.9Å; S535-V724 WeakPolarHBondContact O-CA 3.48Å; F720-V724 HydrophobicContact CD2-CG2 3.88Å; F720-V724 HydrophobicContact CE2-CB 3.95Å; F720-V724 HydrophobicContact CE2-CG1 3.46Å; F720-V724 VanDerWaalsContact CE2-CG1 3.46Å; F720-V724 HydrophobicContact CE2-CG2 3.29Å; F720-V724 HydrophobicContact CZ-CG1 3.86Å; F720-V724 HydrophobicContact CZ-CG2 4.3Å; V724-W794 WeakPolarHBondContact O-CA 3.3Å; V724-W794 VanDerWaalsContact O-CE3 3.32Å; V724-S795 WeakPolarHBondContact CB-O 3.3Å; V724-S795 PolarHBondContact O-N 2.95Å; V724-P797 HydrophobicContact CG2-CG 3.79Å; V724-F800 HydrophobicContact CG1-CE2 4Å; V724-F800 HydrophobicContact CG1-CZ 4.36Å
725L93.2Very high82.5Confident2 Ų226.3 Ų26.31%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-104.6110.6175.1-176.164.6000110I305 L534 S535 I536 I537 L727 W794 I852I305-L725 HydrophobicContact CD1-CD2 4.34Å; L534-L725 HydrophobicContact CD1-CB 4.13Å; S535-L725 PolarHBondContact O-N 3.19Å; I536-L725 WeakPolarHBondContact CA-O 3.08Å; I536-L725 HydrophobicContact CG1-CB 4.47Å; I537-L725 PolarHBondContact N-O 2.65Å; L725-L727 HydrophobicContact CD2-CD2 4.22Å; L725-L727 HydrophobicContact CG-CD2 4.14Å; L725-W794 HydrophobicContact CB-CE3 4.38Å; L725-W794 HydrophobicContact CB-CH2 4.5Å; L725-W794 HydrophobicContact CB-CZ3 4.05Å; L725-W794 HydrophobicContact CD1-CD2 4.43Å; L725-I852 HydrophobicContact CD1-CG2 4.16Å
726H93.1Very high80.2Confident2 Ų230.9 Ų30.91%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-96.8113.7177.8-168.9-172000110.9I537 G539 L666 G792 V793 S795 F800I537-H726 CarbonylContact O-C 3.53Å; I537-H726 WeakPolarHBondContact O-CA 3.42Å; I537-H726 PolarHBondContact O-CD2 2.96Å; G539-H726 WeakPolarHBondContact CA-NE2 3.47Å; G539-H726 PolarHBondContact N-NE2 2.96Å; G539-H726 PolarHBondContact O-NE2 3.41Å; L666-H726 WeakPolarHBondContact CD2-ND1 3.3Å; H726-G792 CarbonylContact O-C 3.45Å; H726-V793 WeakPolarHBondContact CB-O 3.36Å; H726-V793 PolarHBondContact N-O 3.32Å; H726-V793 PolarHBondContact O-N 2.76Å; H726-S795 VanDerWaalsContact CB-OG 3.23Å; H726-S795 WeakPolarHBondContact CB-OG 3.37Å; H726-F800 HydrophobicContact CB-CZ 4.12Å; H726-F800 AromaticContact CG-CZ 3.81Å; H726-F800 AromaticContact ND1-CZ 3.76Å
727L93.8Very high77.8Confident1 Ų135.8 Ų35.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-85.2129.7176.8-52.6179.7000110.1I536 I537 Y538 G539 L725 I790 A821 V822 L825I536-L727 HydrophobicContact CG2-CD1 3.77Å; I536-L727 HydrophobicContact CG2-CG 4Å; I537-L727 PolarHBondContact O-N 3.34Å; Y538-L727 HydrophobicContact CD2-CB 3.87Å; Y538-L727 WeakPolarHBondContact CD2-O 3.5Å; G539-L727 PolarHBondContact N-O 3.05Å; L725-L727 HydrophobicContact CD2-CD2 4.22Å; L725-L727 HydrophobicContact CG-CD2 4.14Å; L727-I790 HydrophobicContact CB-CG2 4.27Å; L727-A821 HydrophobicContact CD1-CB 4.14Å; L727-V822 HydrophobicContact CD1-CG2 3.63Å; L727-L825 HydrophobicContact CD2-CD2 3.7Å
728V91.4Very high75.2Confident3 Ų339.8 Ų39.82%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-133.3143.1-178.3-67.40000112.6I270 I275 I665 L666 I790 V791 V793I270-V728 HydrophobicContact CD1-CB 3.84Å; I270-V728 HydrophobicContact CD1-CG1 4.03Å; I270-V728 HydrophobicContact CD1-CG2 3.98Å; I275-V728 HydrophobicContact CD1-CG2 4.43Å; I665-V728 HydrophobicContact CG2-CG1 4.09Å; L666-V728 HydrophobicContact CD1-CG2 4.43Å; L666-V728 HydrophobicContact CD2-CG1 3.94Å; L666-V728 HydrophobicContact CG-CG1 4.4Å; V728-I790 WeakPolarHBondContact O-CA 3.48Å; V728-V791 HydrophobicContact CG2-CB 4.37Å; V728-V791 WeakPolarHBondContact CG2-O 3.32Å; V728-V791 PolarHBondContact N-O 3.39Å; V728-V791 PolarHBondContact O-N 3.22Å; V728-V793 HydrophobicContact CG2-CG2 4.3Å
729D90.5Very high72.2Confident4 Ų443.5 Ų43.52%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-73.8133.4173.6-71.7-7.3000109.9H268 R269 I270 Y538 I790 K808H268-D729 IonicContact CD2-OD2 2.8Å; H268-D729 PolarHBondContact CD2-OD2 3.42Å; H268-D729 IonicContact NE2-OD2 3.88Å; R269-D729 CarbonylContact C-O 3.53Å; R269-D729 VanDerWaalsContact CA-O 3.32Å; R269-D729 WeakPolarHBondContact CA-O 3.28Å; R269-D729 HydrophobicContact CB-CB 4.5Å; R269-D729 HydrophobicContact CG-CB 3.64Å; I270-D729 PolarHBondContact N-O 3.48Å; Y538-D729 PolarHBondContact OH-OD1 2.94Å; Y538-D729 VanDerWaalsContact OH-OD1 3.06Å; D729-I790 WeakPolarHBondContact OD1-CD1 3.3Å; D729-K808 IonicContact OD2-NZ 3.69Å; D729-K808 PolarHBondContact OD2-NZ 2.87Å
730V85.4Confident69.3Low5 Ų549.8 Ų49.83%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-111.1143.8179.4-173.60000111.8I270 L272 I275 T789 V791I270-V730 CarbonylContact O-C 3.54Å; I270-V730 WeakPolarHBondContact O-CA 3.28Å; I270-V730 WeakPolarHBondContact O-CG1 3.15Å; L272-V730 HydrophobicContact CB-CG1 3.94Å; L272-V730 HydrophobicContact CD1-CG1 4.12Å; I275-V730 HydrophobicContact CD1-CB 4.27Å; I275-V730 HydrophobicContact CD1-CG1 4.01Å; I275-V730 HydrophobicContact CD1-CG2 3.36Å; V730-T789 HydrophobicContact CB-CG2 4.18Å; V730-T789 PolarHBondContact N-O 2.97Å; V730-V791 HydrophobicContact CG2-CB 3.73Å; V730-V791 HydrophobicContact CG2-CG2 3.5Å; V730-V791 VanDerWaalsContact CG2-CG2 3.5Å
731T81.7Confident66.2Low44 Ų4454.9 Ų54.927%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-102.4123.5161.635.40000109.2R269 I270 P271 L272 D733R269-T731 HydrophobicContact CB-CG2 3.55Å; R269-T731 HydrophobicContact CG-CG2 4.01Å; I270-T731 PolarHBondContact O-N 3.46Å; I270-T731 PolarHBondContact O-OG1 3.47Å; P271-T731 WeakPolarHBondContact CA-OG1 3.49Å; L272-T731 PolarHBondContact N-O 3.23Å; T731-D733 PolarHBondContact O-N 3.47Å
732V72.4Confident63.1Low72 Ų7258.4 Ų58.444%0.43636%0.364SS..  trans-69.1122.8165.8-175.20000106.8T734 I842V732-T734 VanDerWaalsContact C-N 3.35Å; V732-T734 PolarHBondContact O-N 3.36Å; V732-I842 HydrophobicContact CG1-CG2 4.31Å
733D62.2Low59.8Low69 Ų6967.3 Ų67.337%0.36940%0.401SS..  trans-67.896.5174-64.1-33000106.4S273 T731 V735S273-D733 VanDerWaalsContact CB-OD2 3.22Å; S273-D733 WeakPolarHBondContact CB-OD2 3.28Å; S273-D733 PolarHBondContact N-OD2 2.87Å; S273-D733 PolarHBondContact OG-OD2 2.71Å; T731-D733 PolarHBondContact O-N 3.47Å; D733-V735 PolarHBondContact O-N 2.87Å; D733-V735 VanDerWaalsContact O-N 3.17Å
734T51.7Low56.3Low114 Ų11472.5 Ų72.570%0.69943%0.434SS*.  trans-68.1112.8166.949.90000105.8V732 V736V732-T734 VanDerWaalsContact C-N 3.35Å; V732-T734 PolarHBondContact O-N 3.36Å; T734-V736 VanDerWaalsContact C-N 3.29Å; T734-V736 PolarHBondContact O-N 3.22Å
735V37.7Very low53Low103 Ų10381.1 Ų81.162%0.62448%0.476SS*.  trans-56.3102.5164.7-173.90000105.3D733 D737D733-V735 PolarHBondContact O-N 2.87Å; D733-V735 VanDerWaalsContact O-N 3.17Å; V735-D737 PolarHBondContact O-N 2.93Å; V735-D737 VanDerWaalsContact O-N 3.07Å
736V33.6Very low49.6Very low105 Ų10588.1 Ų88.164%0.63651%0.513SS*.  trans-76.189.6165-179.30000103.1T734 D738T734-V736 VanDerWaalsContact C-N 3.29Å; T734-V736 PolarHBondContact O-N 3.22Å; V736-D738 PolarHBondContact O-N 3.48Å; V736-D738 VanDerWaalsContact O-N 3.09Å
737D29.6Very low46.1Very low130 Ų13097 Ų9770%0.69556%0.555SS**  trans-64107.5159.7-84.1-29.5000105.9V735 S739V735-D737 PolarHBondContact O-N 2.93Å; V735-D737 VanDerWaalsContact O-N 3.07Å; D737-S739 PolarHBondContact O-N 2.94Å
738D26.5Very low42.8Very low154 Ų154104.6 Ų104.682%0.82460%0.595SS**  trans-67.173.5170.4-78.8-33.7000108.9V736V736-D738 PolarHBondContact O-N 3.48Å; V736-D738 VanDerWaalsContact O-N 3.09Å
739S25.4Very low39.4Very low78 Ų78111.3 Ų111.355%0.54563%0.631SS.*  trans-128.4110.216365.30000109.3D737 T741D737-S739 PolarHBondContact O-N 2.94Å; S739-T741 VanDerWaalsContact C-N 3.27Å; S739-T741 PolarHBondContact O-N 3.03Å
740P33.1Very low36.3Very low133 Ų133116.8 Ų116.886%0.86467%0.67SS**  trans-83.172.4-178.634.3-32.8000109.8
741T25.1Very low33.2Very low108 Ų108125 Ų12566%0.66371%0.708SS**  trans-146.6103.4166.645.30000108.6S739S739-T741 VanDerWaalsContact C-N 3.27Å; S739-T741 PolarHBondContact O-N 3.03Å
742G21.4Very low30.4Very low73 Ų73125.9 Ų125.975%0.75373%0.726SS**  trans-63.7141.4170.600000110.7
743F21.6Very low28Very low192 Ų192129.7 Ų129.784%0.84274%0.744SS**  trans-133.1118.6152.4-96.9-86.1000109
744V20.6Very low26.3Very low127 Ų127134.2 Ų134.277%0.7777%0.767SS**  trans-56.4126.3160.7174.50000106.8
745M23.1Very low24.9Very low184 Ų184136.5 Ų136.591%0.90677%0.769SS**  trans-113.2131.4159.1-77.9-144.4154.400108.8
746D21.9Very low24.1Very low149 Ų149143.8 Ų143.880%0.79779%0.785SS**  trans-61.1154.5-167.7-85.6-50.3000114.4D748D746-D748 PolarHBondContact O-N 3.26Å
747E19.9Very low23.6Very low190 Ų190144.3 Ų144.389%0.88879%0.789SS**  trans-56121.5159.9-66-177.514000109.6
748D22.9Very low23.4Very low159 Ų159143.2 Ų143.285%0.8579%0.792SS**  trans-134.7133.8153.8-106.6-30.2000111.5D746D746-D748 PolarHBondContact O-N 3.26Å
749N20.9Very low23.4Very low144 Ų144142 Ų14277%0.7780%0.795SS**  trans-57.2133.1-178-76.8-51.7000112.3
750S24.8Very low23.4Very low119 Ų119142.9 Ų142.983%0.83280%0.802SS**  trans-151.396.8136.650.20000109.8G752S750-G752 VanDerWaalsContact C-N 3.3Å; S750-G752 PolarHBondContact O-N 3.35Å
751Q21.5Very low23.4Very low177 Ų177140.6 Ų140.683%0.82779%0.788SS**  trans-74.385.1171.2-147.5151.4-9.800107.2
752G23Very low23.7Very low64 Ų64137.8 Ų137.866%0.6677%0.772SS**  trans-90.394.7173.700000110.4S750 I754S750-G752 VanDerWaalsContact C-N 3.3Å; S750-G752 PolarHBondContact O-N 3.35Å; G752-I754 PolarHBondContact O-N 2.91Å
753D21.2Very low24.8Very low152 Ų152135.2 Ų135.281%0.81374%0.743SS**  trans-63.398.1167.9-80.2-41.4000109.7E755D753-E755 PolarHBondContact O-N 3.39Å
754I26.1Very low26Very low164 Ų164130.6 Ų130.684%0.84172%0.72SS**  trans-81.1104.7168.2-62.5176.7000107.7G752 R756G752-I754 PolarHBondContact O-N 2.91Å; I754-R756 PolarHBondContact O-N 3.3Å
755E22.2Very low27.1Very low162 Ų162124.9 Ų124.976%0.75769%0.685SS**  trans-48.6129.4173.8-74.4-178.2141.200112.1D753 T757D753-E755 PolarHBondContact O-N 3.39Å; E755-T757 PolarHBondContact O-N 2.93Å
756R21.9Very low28.2Very low255 Ų255118.8 Ų118.896%0.96265%0.654SS**  trans-65.393.3173.9-70.8178.4-178.3172.93.7109.9I754I754-R756 PolarHBondContact O-N 3.3Å
757T22.1Very low29.2Very low117 Ų117118.5 Ų118.572%0.71865%0.646SS**  trans-100.3123.8167.749.20000111.5E755E755-T757 PolarHBondContact O-N 2.93Å
758S26.6Very low30.4Very low107 Ų107110.3 Ų110.375%0.74861%0.608SS**  trans71.7121.6163.579.30000118.7S760S758-S760 PolarHBondContact O-N 3.45Å
759S25.2Very low31.3Very low128 Ų128106 Ų10690%0.89558%0.582SS**  trans-64.371.3171.755.50000112.1
760S27.5Very low32.2Very low97 Ų97102.9 Ų102.968%0.67857%0.568SS**  trans-78.8121.9157.9160.90000107.2S758 S762S758-S760 PolarHBondContact O-N 3.45Å; S760-S762 PolarHBondContact O-N 3.27Å
761C32.2Very low32.5Very low85 Ų85100.7 Ų100.757%0.57456%0.557SS**  trans-68.275.7173.8-167.70000108.7S763C761-S763 PolarHBondContact O-N 3.08Å
762S31.8Very low32.9Very low48 Ų48100.5 Ų100.534%0.33655%0.554SS.*  trans-48.3117160.3155.10000106.2S760 R764 E766S760-S762 PolarHBondContact O-N 3.27Å; S762-R764 PolarHBondContact O-N 3.26Å; S762-E766 WeakPolarHBondContact CB-OE2 3.35Å; S762-E766 VanDerWaalsContact OG-CD 3.31Å; S762-E766 PolarHBondContact OG-OE2 3.48Å
763S44.7Very low33.2Very low19 Ų19103 Ų10313%0.13356%0.561CS.*  trans-40.7128.6-177.847.80000109.6E310 C761 L765 E766E310-S763 WeakPolarHBondContact OE1-CB 3.48Å; C761-S763 PolarHBondContact O-N 3.08Å; S763-L765 PolarHBondContact O-N 3.5Å; S763-E766 VanDerWaalsContact O-CB 3.26Å; S763-E766 WeakPolarHBondContact O-CB 3.44Å; S763-E766 PolarHBondContact O-N 2.8Å
764R45.6Very low33.3Very low96 Ų9698.7 Ų98.736%0.36255%0.553SS.*Hα-helixtrans-55.4-21.2-175.7-72.1-179.7-179.8173.95.7113E373 S762 E766 K767 I768E373-R764 IonicContact OE2-NH1 2.7Å; E373-R764 PolarHBondContact OE2-NH1 2.84Å; E373-R764 VanDerWaalsContact OE2-NH1 3.09Å; S762-R764 PolarHBondContact O-N 3.26Å; R764-E766 VanDerWaalsContact C-N 3.33Å; R764-E766 PolarHBondContact O-N 3.32Å; R764-K767 WeakPolarHBondContact O-CB 3.26Å; R764-K767 PolarHBondContact O-N 3.42Å; R764-I768 PolarHBondContact O-N 3.45Å
765L45.2Very low33.3Very low6 Ų6101 Ų1013%0.03156%0.557CS.*Hα-helixtrans-61.9-30.6170.3-95.9153.1000114.8E310 F374 S763 K767 I768 F769E310-L765 HydrophobicContact CG-CD1 4.06Å; E310-L765 WeakPolarHBondContact OE1-CD1 3.42Å; F374-L765 HydrophobicContact CD1-CD1 3.94Å; F374-L765 HydrophobicContact CD2-CD1 4.48Å; F374-L765 HydrophobicContact CE1-CD1 3.69Å; F374-L765 HydrophobicContact CE2-CD1 4.26Å; F374-L765 HydrophobicContact CE2-CD2 4.28Å; F374-L765 HydrophobicContact CG-CD1 4.34Å; F374-L765 HydrophobicContact CZ-CD1 3.86Å; F374-L765 HydrophobicContact CZ-CD2 4.25Å; F374-L765 WeakPolarHBondContact O-CD1 3.39Å; S763-L765 PolarHBondContact O-N 3.5Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 3.13Å; L765-I768 HydrophobicContact CD2-CB 4.43Å; L765-I768 HydrophobicContact CD2-CD1 4.26Å; L765-I768 HydrophobicContact CD2-CG2 4.28Å; L765-I768 HydrophobicContact CG-CD1 4.32Å; L765-I768 WeakPolarHBondContact O-CA 3.08Å; L765-I768 VanDerWaalsContact O-CB 3.25Å; L765-I768 WeakPolarHBondContact O-CB 3.34Å; L765-I768 PolarHBondContact O-N 3.28Å; L765-F769 HydrophobicContact CD2-CE2 3.95Å; L765-F769 WeakPolarHBondContact O-CD2 3.47Å; L765-F769 PolarHBondContact O-N 2.89Å
766E45.4Very low33.4Very low56 Ų56101.5 Ų101.526%0.26256%0.561SS.*Hα-helixtrans-62.3-39.1175.5-166.7164.1-171.200110.6S762 S763 R764 I768 F769 T770 R826S762-E766 WeakPolarHBondContact CB-OE2 3.35Å; S762-E766 VanDerWaalsContact OG-CD 3.31Å; S762-E766 PolarHBondContact OG-OE2 3.48Å; S763-E766 VanDerWaalsContact O-CB 3.26Å; S763-E766 WeakPolarHBondContact O-CB 3.44Å; S763-E766 PolarHBondContact O-N 2.8Å; R764-E766 VanDerWaalsContact C-N 3.33Å; R764-E766 PolarHBondContact O-N 3.32Å; E766-I768 VanDerWaalsContact C-N 3.27Å; E766-I768 PolarHBondContact O-N 2.94Å; E766-F769 PolarHBondContact O-N 2.83Å; E766-T770 WeakPolarHBondContact O-CB 3.22Å; E766-T770 VanDerWaalsContact O-CG2 3.27Å; E766-T770 WeakPolarHBondContact O-CG2 3.46Å; E766-T770 PolarHBondContact O-N 2.9Å; E766-T770 PolarHBondContact O-OG1 3.25Å; E766-R826 IonicContact OE2-NH2 3.62Å
767K43.1Very low33.7Very low144 Ų14494.6 Ų94.663%0.62655%0.552SS**Hα-helixtrans-64.3-31.2170.5-60.9-179.5179.6177.20112.1R764 L765 T770 A771R764-K767 WeakPolarHBondContact O-CB 3.26Å; R764-K767 PolarHBondContact O-N 3.42Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 3.13Å; K767-T770 WeakPolarHBondContact CA-OG1 3.48Å; K767-T770 PolarHBondContact O-OG1 2.95Å; K767-A771 WeakPolarHBondContact O-CB 3.35Å; K767-A771 PolarHBondContact O-N 3.46Å; K767-A771 VanDerWaalsContact O-N 3.09Å
768I44.8Very low34.4Very low18 Ų1894.4 Ų94.49%0.09256%0.562CS.*Hα-helixtrans-71.9-36.4-179.5-70.1175.1000111.4N325 K328 R764 L765 E766N325-I768 WeakPolarHBondContact OD1-CD1 3.45Å; K328-I768 HydrophobicContact CD-CG2 4.39Å; K328-I768 PolarHBondContact NZ-O 2.85Å; R764-I768 PolarHBondContact O-N 3.45Å; L765-I768 HydrophobicContact CD2-CB 4.43Å; L765-I768 HydrophobicContact CD2-CD1 4.26Å; L765-I768 HydrophobicContact CD2-CG2 4.28Å; L765-I768 HydrophobicContact CG-CD1 4.32Å; L765-I768 WeakPolarHBondContact O-CA 3.08Å; L765-I768 VanDerWaalsContact O-CB 3.25Å; L765-I768 WeakPolarHBondContact O-CB 3.34Å; L765-I768 PolarHBondContact O-N 3.28Å; E766-I768 VanDerWaalsContact C-N 3.27Å; E766-I768 PolarHBondContact O-N 2.94Å
769F41.4Very low34.6Very low68 Ų6895.1 Ų95.130%0.29857%0.566SS.*Hα-helixtrans-82.4-36.3176-72.8-70.6000113M324 L765 E766 E820M324-F769 HydrophobicContact CE-CZ 4.22Å; L765-F769 HydrophobicContact CD2-CE2 3.95Å; L765-F769 WeakPolarHBondContact O-CD2 3.47Å; L765-F769 PolarHBondContact O-N 2.89Å; E766-F769 PolarHBondContact O-N 2.83Å; F769-E820 HydrophobicContact CE1-CB 4.33Å; F769-E820 HydrophobicContact CE1-CG 4.22Å; F769-E820 HydrophobicContact CZ-CB 4.42Å
770T39.7Very low35Very low78 Ų7894.2 Ų94.248%0.47956%0.558SS.*Hα-helixtrans-77.3-26.3-178.653.60000114.1E766 K767 K772 S773E766-T770 WeakPolarHBondContact O-CB 3.22Å; E766-T770 VanDerWaalsContact O-CG2 3.27Å; E766-T770 WeakPolarHBondContact O-CG2 3.46Å; E766-T770 PolarHBondContact O-N 2.9Å; E766-T770 PolarHBondContact O-OG1 3.25Å; K767-T770 WeakPolarHBondContact CA-OG1 3.48Å; K767-T770 PolarHBondContact O-OG1 2.95Å; T770-K772 PolarHBondContact O-N 3.28Å; T770-S773 PolarHBondContact O-N 3.06Å
771A32.5Very low35.2Very low74 Ų7496.6 Ų96.661%0.61257%0.569SS**G310 helixtrans-61.60.1-179.400000115.8K767 S773K767-A771 WeakPolarHBondContact O-CB 3.35Å; K767-A771 PolarHBondContact O-N 3.46Å; K767-A771 VanDerWaalsContact O-N 3.09Å; A771-S773 VanDerWaalsContact C-N 3.33Å
772K29.3Very low35Very low173 Ų173100.1 Ų100.175%0.75257%0.574SS**G310 helixtrans-82.85.7172.8-96.8-177.7180168.50115.1T770T770-K772 PolarHBondContact O-N 3.28Å
773S28.8Very low34.9Very low115 Ų115102.4 Ų102.480%0.80459%0.588SS**G310 helixtrans-120.119178.785.40000116.2T770 A771T770-S773 PolarHBondContact O-N 3.06Å; A771-S773 VanDerWaalsContact C-N 3.33Å
774G23.9Very low34.2Very low63 Ų63113.1 Ų113.165%0.64963%0.625SS**SBendtrans-109122-179.600000113.8
775K25Very low33.8Very low211 Ų211117 Ų11792%0.91765%0.645SS**  trans67.193.6164.6-62.3-176.4176.9-176.40117.6
776M25.8Very low33.9Very low174 Ų174123.1 Ų123.186%0.85768%0.677SS**  trans-147.3133.5139.4-103.2175.799.100108.5
777S27.2Very low34.6Very low109 Ų109128.3 Ų128.376%0.76269%0.694SS**  trans-52.2154.1-176.148.10000114.5C779S777-C779 VanDerWaalsContact C-N 3.31Å; S777-C779 PolarHBondContact O-N 3.17Å
778A36.5Very low36Very low113 Ų113124.7 Ų124.793%0.93468%0.678SS**THydrogen-bonded Turntrans-67.253.5-165.700000117.3
779C32.1Very low37.8Very low122 Ų122125 Ų12582%0.82468%0.681SS**THydrogen-bonded Turntrans-132.14.4173.3-132.60000115.4S777S777-C779 VanDerWaalsContact C-N 3.31Å; S777-C779 PolarHBondContact O-N 3.17Å
780C33.6Very low40.1Very low109 Ų109121.8 Ų121.874%0.73667%0.667SS**  trans-140.591.9175.8-68.50000109.9K782C780-K782 PolarHBondContact O-N 3.13Å
781V29.8Very low42.3Very low148 Ų148118.1 Ų118.190%0.89764%0.644SS**  trans-63.488.7163.7-177.90000107
782K29.1Very low45Very low158 Ų158114.6 Ų114.669%0.68762%0.615SS**  trans-62.3134.3165.3-75178.8-179.5166.80106.1C780 R784C780-K782 PolarHBondContact O-N 3.13Å; K782-R784 PolarHBondContact O-N 3.42Å
783P29.6Very low47.8Very low97 Ų97106.3 Ų106.363%0.6358%0.579SS**  trans-50.8123.9176.120.4-31000107.8K785P783-K785 PolarHBondContact O-N 2.94Å
784R29.6Very low50.6Low244 Ų244102.6 Ų102.692%0.92155%0.548SS*.  trans-44113.4172.1-97.8178.9165.6160.9-4.4105.6K782 L786K782-R784 PolarHBondContact O-N 3.42Å; R784-L786 PolarHBondContact O-N 3.47Å
785K36.6Very low53.6Low177 Ų177100.5 Ų100.577%0.7752%0.523SS*.  trans-56.2115.7173.8-82.1179.5178.2172.10105.3P783 R787P783-K785 PolarHBondContact O-N 2.94Å; K785-R787 PolarHBondContact O-N 3.27Å
786L48.1Very low56.5Low134 Ų13494.1 Ų94.170%0.70250%0.496SS*.PPolyproline II helixtrans-46.1122.2171.8-92.898000107.5R784 K788R784-L786 PolarHBondContact O-N 3.47Å; L786-K788 PolarHBondContact O-N 3.4Å; L786-K788 VanDerWaalsContact O-N 3.16Å
787R60.6Low59.4Low166 Ų16686.3 Ų86.363%0.62646%0.458SS*.PPolyproline II helixtrans-49.3123.9171.9-171.3173.9175.9179.2-5.3106.1K785 T789 S831K785-R787 PolarHBondContact O-N 3.27Å; R787-T789 PolarHBondContact O-N 3.05Å; R787-S831 PolarHBondContact NH2-OG 3.44Å
788K72.7Confident61.9Low67 Ų6783 Ų8329%0.29143%0.431SS..PPolyproline II helixtrans-72.4124.1174.6-72.3-179.9179.6177.30106L786 E820L786-K788 PolarHBondContact O-N 3.4Å; L786-K788 VanDerWaalsContact O-N 3.16Å; K788-E820 IonicContact NZ-OE1 3.53Å; K788-E820 PolarHBondContact NZ-OE1 2.8Å; K788-E820 IonicContact NZ-OE2 2.86Å
789T83.1Confident64.2Low24 Ų2479.4 Ų79.415%0.14740%0.395CS..EExtended strand (participates in β ladder)trans-103.3129.2173.6-53.60000108.3V730 R787 E828 Y851V730-T789 HydrophobicContact CB-CG2 4.18Å; V730-T789 PolarHBondContact N-O 2.97Å; R787-T789 PolarHBondContact O-N 3.05Å; T789-E828 WeakPolarHBondContact CA-OE1 3.25Å; T789-E828 WeakPolarHBondContact CG2-OE2 3.3Å; T789-Y851 HydrophobicContact CG2-CE1 4.32Å
790I88.3Confident66.9Low1 Ų173.6 Ų73.61%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-121.8128.5-179.8-59.9-66000109.6Y538 L727 V728 D729 A821 C824 L825 E828Y538-I790 HydrophobicContact CE2-CD1 4.27Å; L727-I790 HydrophobicContact CB-CG2 4.27Å; V728-I790 WeakPolarHBondContact O-CA 3.48Å; D729-I790 WeakPolarHBondContact OD1-CD1 3.3Å; I790-A821 HydrophobicContact CD1-CB 4.46Å; I790-C824 HydrophobicContact CB-CB 4.21Å; I790-C824 HydrophobicContact CG1-CB 3.59Å; I790-L825 HydrophobicContact CB-CB 4.32Å; I790-L825 HydrophobicContact CG2-CB 4.07Å; I790-L825 WeakPolarHBondContact O-CD1 3.31Å; I790-E828 VanDerWaalsContact N-CD 3.35Å; I790-E828 PolarHBondContact N-OE1 3.44Å; I790-E828 PolarHBondContact N-OE2 3.46Å
791V86.7Confident69.5Low1 Ų170.9 Ų70.91%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-112.1139.6172168.40000109.1I275 V728 V730 V793 Y851I275-V791 HydrophobicContact CD1-CB 4.38Å; I275-V791 HydrophobicContact CG2-CG1 4.19Å; V728-V791 HydrophobicContact CG2-CB 4.37Å; V728-V791 WeakPolarHBondContact CG2-O 3.32Å; V728-V791 PolarHBondContact N-O 3.39Å; V728-V791 PolarHBondContact O-N 3.22Å; V730-V791 HydrophobicContact CG2-CB 3.73Å; V730-V791 HydrophobicContact CG2-CG2 3.5Å; V730-V791 VanDerWaalsContact CG2-CG2 3.5Å; V791-V793 HydrophobicContact CG1-CG2 4.02Å; V791-Y851 VanDerWaalsContact CG1-O 3.29Å; V791-Y851 WeakPolarHBondContact CG1-O 3.09Å; V791-Y851 HydrophobicContact CG2-CD1 3.95Å
792G88.2Confident72.3Confident0 Ų064.8 Ų64.80%030%0.295CS..EExtended strand (participates in β ladder)trans-92.9136.3169.300000111H726 Y851 I852 R853H726-G792 CarbonylContact O-C 3.45Å; G792-Y851 PolarHBondContact N-O 3.5Å; G792-Y851 VanDerWaalsContact O-O 3.12Å; G792-I852 CarbonylContact O-C 3.57Å; G792-I852 VanDerWaalsContact O-CA 3.27Å; G792-I852 WeakPolarHBondContact O-CA 3.45Å; G792-R853 PolarHBondContact O-N 3.19Å
793V87.8Confident75.2Confident0 Ų057.4 Ų57.40%026%0.263CS..EExtended strand (participates in β ladder)trans-130121.9179-175.60000110.2L666 H726 V728 V791 S795 R853 L855L666-V793 HydrophobicContact CD1-CB 4.39Å; L666-V793 HydrophobicContact CD1-CG1 4.34Å; L666-V793 HydrophobicContact CD1-CG2 3.83Å; L666-V793 HydrophobicContact CD2-CB 4.05Å; L666-V793 HydrophobicContact CD2-CG1 4.19Å; L666-V793 HydrophobicContact CD2-CG2 4.26Å; H726-V793 WeakPolarHBondContact CB-O 3.36Å; H726-V793 PolarHBondContact N-O 3.32Å; H726-V793 PolarHBondContact O-N 2.76Å; V728-V793 HydrophobicContact CG2-CG2 4.3Å; V791-V793 HydrophobicContact CG1-CG2 4.02Å; V793-S795 PolarHBondContact O-N 3.47Å; V793-S795 PolarHBondContact O-OG 2.94Å; V793-R853 CarbonylContact C-O 3.58Å; V793-R853 WeakPolarHBondContact CA-O 3.07Å; V793-L855 HydrophobicContact CG1-CB 4.12Å; V793-L855 HydrophobicContact CG1-CD1 4Å
794W88.4Confident78.2Confident37 Ų3752.8 Ų52.814%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-63.9119.1170.5-67.1112.8000109.4L300 L534 L723 V724 L725 I852 R853 L855L300-W794 HydrophobicContact CD2-CH2 4.19Å; L534-W794 HydrophobicContact CD1-CH2 3.75Å; L534-W794 HydrophobicContact CD1-CZ3 3.53Å; L723-W794 HydrophobicContact CB-CE3 4.41Å; L723-W794 HydrophobicContact CB-CH2 4.5Å; L723-W794 HydrophobicContact CB-CZ3 3.75Å; L723-W794 HydrophobicContact CD1-CZ3 4.47Å; V724-W794 WeakPolarHBondContact O-CA 3.3Å; V724-W794 VanDerWaalsContact O-CE3 3.32Å; L725-W794 HydrophobicContact CB-CE3 4.38Å; L725-W794 HydrophobicContact CB-CH2 4.5Å; L725-W794 HydrophobicContact CB-CZ3 4.05Å; L725-W794 HydrophobicContact CD1-CD2 4.43Å; W794-I852 HydrophobicContact CZ2-CG2 4.45Å; W794-I852 VanDerWaalsContact NE1-CG2 3.32Å; W794-R853 PolarHBondContact N-O 3.07Å; W794-L855 WeakPolarHBondContact O-CB 3.41Å; W794-L855 PolarHBondContact O-N 3.37Å
795S87.3Confident81.1Confident18 Ų1841.7 Ų41.713%0.12619%0.192CC..  trans-123.7168.4-170.2-60.20000111V724 H726 V793 Q799V724-S795 WeakPolarHBondContact CB-O 3.3Å; V724-S795 PolarHBondContact O-N 2.95Å; H726-S795 VanDerWaalsContact CB-OG 3.23Å; H726-S795 WeakPolarHBondContact CB-OG 3.37Å; V793-S795 PolarHBondContact O-N 3.47Å; V793-S795 PolarHBondContact O-OG 2.94Å; S795-Q799 VanDerWaalsContact CB-OE1 3.25Å
796H85.3Confident83.6Confident78 Ų7834.7 Ų34.736%0.36116%0.162SC..  trans-109139.9173.1-158.2-26.3000110Q798 Q799H796-Q798 PolarHBondContact CD2-OE1 3.29Å; H796-Q798 PolarHBondContact CE1-NE2 3.3Å; H796-Q798 PolarHBondContact CE1-OE1 3.29Å; H796-Q798 PolarHBondContact ND1-OE1 2.93Å; H796-Q798 PolarHBondContact NE2-NE2 2.9Å; H796-Q798 PolarHBondContact NE2-OE1 3.43Å; H796-Q798 PolarHBondContact O-N 3.34Å; H796-Q799 VanDerWaalsContact N-OE1 3.13Å; H796-Q799 WeakPolarHBondContact O-CB 3.37Å; H796-Q799 WeakPolarHBondContact O-CG 3.25Å; H796-Q799 PolarHBondContact O-N 2.96Å
797P86.4Confident85.3Confident9 Ų931.8 Ų31.86%0.05815%0.151CC..G310 helixtrans-49.2-30.2176.9-34.830.3000117V719 F720 V724 Q799 F800V719-P797 HydrophobicContact CB-CB 3.68Å; V719-P797 HydrophobicContact CB-CG 4.4Å; V719-P797 HydrophobicContact CG1-CB 3.7Å; V719-P797 HydrophobicContact CG2-CB 4.49Å; F720-P797 HydrophobicContact CD2-CG 4.29Å; F720-P797 HydrophobicContact CE2-CG 4.1Å; F720-P797 HydrophobicContact CZ-CB 4.45Å; F720-P797 HydrophobicContact CZ-CG 4.48Å; V724-P797 HydrophobicContact CG2-CG 3.79Å; P797-Q799 PolarHBondContact O-N 3.21Å; P797-F800 WeakPolarHBondContact O-CB 3.5Å; P797-F800 PolarHBondContact O-N 3.31Å
798Q81.3Confident86.5Confident40 Ų4026.5 Ų26.519%0.18713%0.133CC..G310 helixtrans-66.8-20.3179.3-55.683.5-3.200113.2L674 H796 F800 Q801L674-Q798 HydrophobicContact CD2-CB 3.41Å; L674-Q798 VanDerWaalsContact CD2-CB 3.41Å; L674-Q798 HydrophobicContact CD2-CG 4.21Å; H796-Q798 PolarHBondContact CD2-OE1 3.29Å; H796-Q798 PolarHBondContact CE1-NE2 3.3Å; H796-Q798 PolarHBondContact CE1-OE1 3.29Å; H796-Q798 PolarHBondContact ND1-OE1 2.93Å; H796-Q798 PolarHBondContact NE2-NE2 2.9Å; H796-Q798 PolarHBondContact NE2-OE1 3.43Å; H796-Q798 PolarHBondContact O-N 3.34Å; Q798-F800 PolarHBondContact O-N 3.34Å; Q798-F800 VanDerWaalsContact O-N 3.13Å; Q798-Q801 HydrophobicContact CB-CG 4.49Å; Q798-Q801 WeakPolarHBondContact O-CB 3.45Å; Q798-Q801 PolarHBondContact O-N 2.91Å; Q798-Q801 VanDerWaalsContact O-N 3.11Å
799Q83Confident87.3Confident37 Ų3724.2 Ų24.217%0.17312%0.123CC..G310 helixtrans-67.9-12.1174.5-55.4-173.6-59.800113.2R545 L666 S795 H796 P797R545-Q799 PolarHBondContact NH1-O 3.19Å; R545-Q799 VanDerWaalsContact NH1-O 3.13Å; L666-Q799 PolarHBondContact O-NE2 3Å; S795-Q799 VanDerWaalsContact CB-OE1 3.25Å; H796-Q799 VanDerWaalsContact N-OE1 3.13Å; H796-Q799 WeakPolarHBondContact O-CB 3.37Å; H796-Q799 WeakPolarHBondContact O-CG 3.25Å; H796-Q799 PolarHBondContact O-N 2.96Å; P797-Q799 PolarHBondContact O-N 3.21Å
800F90.3Very high87.4Confident0 Ų024.4 Ų24.40%012%0.123CC..G310 helixtrans-100.1-2.4177.9-61.2-93.9000112.8L518 I537 A544 R545 F720 V724 H726 P797 Q798 T802L518-F800 HydrophobicContact CD1-CB 4.06Å; L518-F800 HydrophobicContact CD2-CB 4.45Å; I537-F800 HydrophobicContact CB-CE1 4.06Å; I537-F800 HydrophobicContact CB-CZ 4.29Å; I537-F800 HydrophobicContact CG1-CE1 4.33Å; I537-F800 HydrophobicContact CG1-CZ 4.43Å; I537-F800 HydrophobicContact CG2-CD1 4.29Å; I537-F800 HydrophobicContact CG2-CE1 3.6Å; I537-F800 HydrophobicContact CG2-CZ 4.32Å; A544-F800 HydrophobicContact CB-CD1 4.46Å; A544-F800 WeakPolarHBondContact O-CB 3.34Å; R545-F800 VanDerWaalsContact CA-O 3.27Å; R545-F800 WeakPolarHBondContact CA-O 3.39Å; R545-F800 WeakPolarHBondContact CB-O 3.42Å; R545-F800 HydrophobicContact CG-CB 4.1Å; R545-F800 HydrophobicContact CG-CD1 4.04Å; R545-F800 WeakPolarHBondContact CG-O 3.38Å; F720-F800 HydrophobicContact CE1-CB 4.14Å; F720-F800 HydrophobicContact CE1-CD2 4.11Å; F720-F800 AromaticContact CE1-CG 4Å; F720-F800 HydrophobicContact CE1-CG 4Å; F720-F800 HydrophobicContact CZ-CD1 4.49Å; F720-F800 AromaticContact CZ-CD2 3.64Å; F720-F800 HydrophobicContact CZ-CD2 3.64Å; F720-F800 AromaticContact CZ-CE2 3.91Å; F720-F800 HydrophobicContact CZ-CE2 3.91Å; F720-F800 AromaticContact CZ-CG 3.96Å; F720-F800 HydrophobicContact CZ-CG 3.96Å; F720-F800 HydrophobicContact CZ-CZ 4.45Å; V724-F800 HydrophobicContact CG1-CE2 4Å; V724-F800 HydrophobicContact CG1-CZ 4.36Å; H726-F800 HydrophobicContact CB-CZ 4.12Å; H726-F800 AromaticContact CG-CZ 3.81Å; H726-F800 AromaticContact ND1-CZ 3.76Å; P797-F800 WeakPolarHBondContact O-CB 3.5Å; P797-F800 PolarHBondContact O-N 3.31Å; Q798-F800 PolarHBondContact O-N 3.34Å; Q798-F800 VanDerWaalsContact O-N 3.13Å; F800-T802 PolarHBondContact O-N 3.27Å
801Q87.5Confident87.3Confident52 Ų5226.1 Ų26.124%0.24314%0.135CC..SBendtrans-7330.4-179.3-69.8177.1-5.900114.3L518 T550 Q798L518-Q801 HydrophobicContact CD2-CG 4.16Å; T550-Q801 HydrophobicContact CG2-CB 4.3Å; T550-Q801 WeakPolarHBondContact CG2-O 3.44Å; Q798-Q801 HydrophobicContact CB-CG 4.49Å; Q798-Q801 WeakPolarHBondContact O-CB 3.45Å; Q798-Q801 PolarHBondContact O-N 2.91Å; Q798-Q801 VanDerWaalsContact O-N 3.11Å
802T88.1Confident87.5Confident21 Ų2126.3 Ų26.313%0.12914%0.136CC..SBendtrans-149.8126.3172-56.80000109.5W263 R545 W668 F800 L804W263-T802 HydrophobicContact CZ3-CG2 3.83Å; R545-T802 WeakPolarHBondContact CD-O 3.39Å; W668-T802 HydrophobicContact CH2-CG2 3.98Å; W668-T802 HydrophobicContact CZ2-CG2 4.05Å; F800-T802 PolarHBondContact O-N 3.27Å; T802-L804 HydrophobicContact CG2-CD2 4.11Å; T802-L804 PolarHBondContact O-N 3.36Å
803I90.6Very high87.6Confident2 Ų226.5 Ų26.51%0.0114%0.137CC..  trans-72.6118.3172-64.6175000108.8I542 R545 M546 I551 F554 R557 I805I542-I803 HydrophobicContact CD1-CG2 4.3Å; I542-I803 HydrophobicContact CG1-CG2 4.21Å; R545-I803 HydrophobicContact CB-CG1 4.4Å; R545-I803 WeakPolarHBondContact O-CG1 3.43Å; M546-I803 HydrophobicContact CG-CD1 3.85Å; M546-I803 HydrophobicContact CG-CG1 4.4Å; I551-I803 HydrophobicContact CG1-CD1 4.26Å; F554-I803 HydrophobicContact CB-CB 4.14Å; F554-I803 HydrophobicContact CB-CD1 3.79Å; F554-I803 HydrophobicContact CB-CG1 4.44Å; F554-I803 HydrophobicContact CD2-CB 4.38Å; F554-I803 HydrophobicContact CD2-CG2 3.97Å; F554-I803 HydrophobicContact CG-CB 4.42Å; F554-I803 HydrophobicContact CG-CD1 4.18Å; F554-I803 HydrophobicContact CG-CG2 4.26Å; R557-I803 PolarHBondContact NH1-O 3.43Å; R557-I803 PolarHBondContact NH2-O 2.7Å; I803-I805 HydrophobicContact CG2-CD1 4Å
804L91.9Very high87.6Confident1 Ų128.3 Ų28.31%0.00515%0.145CC..  trans-104.4120.3179-62.2-179.9000109.7T260 W263 V264 Y540 I665 W668 T802 H806T260-L804 HydrophobicContact CG2-CB 3.86Å; T260-L804 HydrophobicContact CG2-CD2 4.23Å; W263-L804 HydrophobicContact CE3-CD2 4.01Å; W263-L804 HydrophobicContact CZ3-CD2 4.32Å; V264-L804 HydrophobicContact CG2-CD1 4.21Å; Y540-L804 HydrophobicContact CD1-CB 4.09Å; Y540-L804 HydrophobicContact CD1-CD1 4.33Å; Y540-L804 HydrophobicContact CE1-CB 4.48Å; Y540-L804 HydrophobicContact CE1-CD1 4.27Å; I665-L804 HydrophobicContact CG1-CD1 4.09Å; W668-L804 HydrophobicContact CZ2-CD2 3.89Å; T802-L804 HydrophobicContact CG2-CD2 4.11Å; T802-L804 PolarHBondContact O-N 3.36Å; L804-H806 PolarHBondContact O-N 3.47Å
805I91.3Very high87.7Confident10 Ų1026.8 Ų26.85%0.05114%0.14CC..  trans-83.3107.9-177.2-60.1-54.6000109.9L253 L256 R257 T260 F554 I803 M809L253-I805 HydrophobicContact CD2-CD1 3.85Å; L253-I805 HydrophobicContact CD2-CG1 4.17Å; L253-I805 HydrophobicContact CD2-CG2 4.21Å; L256-I805 HydrophobicContact CB-CB 4.13Å; L256-I805 HydrophobicContact CB-CG1 3.71Å; L256-I805 HydrophobicContact CD1-CG1 4.22Å; R257-I805 HydrophobicContact CB-CG2 3.96Å; T260-I805 PolarHBondContact OG1-N 3.18Å; F554-I805 HydrophobicContact CD2-CD1 4.21Å; F554-I805 HydrophobicContact CE2-CD1 3.56Å; F554-I805 HydrophobicContact CE2-CG1 3.98Å; F554-I805 HydrophobicContact CZ-CD1 4.28Å; I803-I805 HydrophobicContact CG2-CD1 4Å; I805-M809 HydrophobicContact CD1-CE 4.22Å; I805-M809 HydrophobicContact CD1-SD 3.91Å
806H89.6Confident87.8Confident31 Ų3127.8 Ų27.814%0.14414%0.144CC..  trans-137.5141.7-177.6-173.3-94.9000111.2H268 Y540 L804 K808 M809H268-H806 VanDerWaalsContact CB-CE1 3.41Å; H268-H806 WeakPolarHBondContact CB-CE1 3.43Å; H268-H806 WeakPolarHBondContact CB-NE2 3.31Å; Y540-H806 HydrophobicContact CD1-CB 3.49Å; Y540-H806 VanDerWaalsContact CD1-CB 3.49Å; Y540-H806 AromaticContact CD1-CG 3.79Å; Y540-H806 HydrophobicContact CD2-CB 4.27Å; Y540-H806 AromaticContact CD2-CG 3.77Å; Y540-H806 AromaticContact CD2-ND1 3.63Å; Y540-H806 HydrophobicContact CE1-CB 4.06Å; Y540-H806 HydrophobicContact CG-CB 3.6Å; Y540-H806 AromaticContact CG-CG 3.62Å; Y540-H806 AromaticContact CG-ND1 3.79Å; L804-H806 PolarHBondContact O-N 3.47Å; H806-K808 PolarHBondContact ND1-N 2.99Å; H806-K808 VanDerWaalsContact ND1-N 3.13Å; H806-K808 PolarHBondContact O-N 2.82Å; H806-M809 VanDerWaalsContact O-CB 3.3Å; H806-M809 WeakPolarHBondContact O-CB 3.36Å; H806-M809 WeakPolarHBondContact O-CG 3.3Å; H806-M809 PolarHBondContact O-N 3.46Å
807P83.2Confident88.1Confident73 Ų7328.9 Ų28.947%0.47415%0.145SC..THydrogen-bonded Turntrans-56.8-24.2-178.3-28.136000115.1R257R257-P807 VanDerWaalsContact CZ-CG 3.44Å
808K85.6Confident88.4Confident55 Ų5528.5 Ų28.524%0.23914%0.142CC..THydrogen-bonded Turntrans-94.4-0.9178.8-61.3-167.1-178.9-179.20114.4H268 D729 H806 L810 S811 H812H268-K808 HydrophobicContact CB-CD 4.43Å; H268-K808 PolarHBondContact CD2-NZ 3.33Å; H268-K808 PolarHBondContact NE2-NZ 2.94Å; D729-K808 IonicContact OD2-NZ 3.69Å; D729-K808 PolarHBondContact OD2-NZ 2.87Å; H806-K808 PolarHBondContact ND1-N 2.99Å; H806-K808 VanDerWaalsContact ND1-N 3.13Å; H806-K808 PolarHBondContact O-N 2.82Å; K808-L810 VanDerWaalsContact C-N 3.32Å; K808-L810 PolarHBondContact O-N 3.28Å; K808-S811 VanDerWaalsContact CA-OG 3.23Å; K808-S811 WeakPolarHBondContact CA-OG 3.45Å; K808-S811 WeakPolarHBondContact CB-OG 3.26Å; K808-S811 PolarHBondContact O-N 3.22Å; K808-S811 PolarHBondContact O-OG 3.46Å; K808-H812 WeakPolarHBondContact CB-NE2 3.31Å; K808-H812 WeakPolarHBondContact CD-NE2 3.17Å; K808-H812 PolarHBondContact O-CD2 3.44Å; K808-H812 PolarHBondContact O-N 2.94Å
809M89.2Confident89Confident18 Ų1826.7 Ų26.79%0.08913%0.134CC..THydrogen-bonded Turntrans-58.7-39.2-170.572-168.1-173.800113.9Y540 D541 I542 I805 H806Y540-M809 WeakPolarHBondContact O-CA 3.11Å; Y540-M809 WeakPolarHBondContact O-CB 3.21Å; D541-M809 WeakPolarHBondContact CA-O 3.47Å; I542-M809 HydrophobicContact CB-CB 4.27Å; I542-M809 HydrophobicContact CB-CG 4.3Å; I542-M809 HydrophobicContact CD1-CE 4.14Å; I542-M809 HydrophobicContact CD1-SD 4.21Å; I542-M809 PolarHBondContact N-O 2.85Å; I805-M809 HydrophobicContact CD1-CE 4.22Å; I805-M809 HydrophobicContact CD1-SD 3.91Å; H806-M809 VanDerWaalsContact O-CB 3.3Å; H806-M809 WeakPolarHBondContact O-CB 3.36Å; H806-M809 WeakPolarHBondContact O-CG 3.3Å; H806-M809 PolarHBondContact O-N 3.46Å
810L85.8Confident89.4Confident28 Ų2826.8 Ų26.815%0.14713%0.134CC..THydrogen-bonded Turntrans-78.6-37.7174.2-67.2169.1000111.4I227 A231 I542 F543 K808 H812 H813I227-L810 HydrophobicContact CG2-CB 4.39Å; I227-L810 HydrophobicContact CG2-CD1 3.78Å; A231-L810 HydrophobicContact CB-CD1 4.17Å; I542-L810 HydrophobicContact CG2-CD2 3.79Å; F543-L810 HydrophobicContact CE2-CD2 4.09Å; F543-L810 HydrophobicContact CZ-CD2 4.47Å; K808-L810 VanDerWaalsContact C-N 3.32Å; K808-L810 PolarHBondContact O-N 3.28Å; L810-H812 VanDerWaalsContact C-N 3.33Å; L810-H812 PolarHBondContact O-N 3.38Å; L810-H813 WeakPolarHBondContact O-CB 3.28Å; L810-H813 PolarHBondContact O-N 3.48Å
811S85.7Confident89.5Confident37 Ų3726.9 Ų26.926%0.25914%0.135SC..G310 helixtrans-66.5-35.4-17867.40000112.9K808 H813 F814 R817K808-S811 VanDerWaalsContact CA-OG 3.23Å; K808-S811 WeakPolarHBondContact CA-OG 3.45Å; K808-S811 WeakPolarHBondContact CB-OG 3.26Å; K808-S811 PolarHBondContact O-N 3.22Å; K808-S811 PolarHBondContact O-OG 3.46Å; S811-H813 PolarHBondContact O-N 3.25Å; S811-F814 PolarHBondContact O-N 2.87Å; S811-R817 WeakPolarHBondContact O-CB 3.35Å; S811-R817 WeakPolarHBondContact O-CG 3.48Å
812H90.6Very high89.8Confident6 Ų624.5 Ų24.53%0.02812%0.124CC..G310 helixtrans-69.8-16.4179.4-76.4-156000113.1Y538 G539 Y540 K808 L810 I818Y538-H812 HydrophobicContact CD1-CB 3.73Å; Y538-H812 AromaticContact CD1-CG 3.71Å; Y538-H812 AromaticContact CD1-ND1 3.98Å; Y538-H812 HydrophobicContact CE1-CB 4.21Å; Y538-H812 AromaticContact CE1-CD2 3.59Å; Y538-H812 AromaticContact CE1-CG 3.75Å; Y538-H812 AromaticContact CE1-NE2 3.85Å; Y538-H812 HydrophobicContact CG-CB 4.29Å; Y538-H812 AromaticContact CZ-CE1 3.84Å; Y538-H812 AromaticContact CZ-NE2 3.81Å; Y538-H812 WeakPolarHBondContact O-CB 3.48Å; Y538-H812 PolarHBondContact O-ND1 2.96Å; G539-H812 WeakPolarHBondContact CA-ND1 3.28Å; Y540-H812 PolarHBondContact N-ND1 3.18Å; K808-H812 WeakPolarHBondContact CB-NE2 3.31Å; K808-H812 WeakPolarHBondContact CD-NE2 3.17Å; K808-H812 PolarHBondContact O-CD2 3.44Å; K808-H812 PolarHBondContact O-N 2.94Å; L810-H812 VanDerWaalsContact C-N 3.33Å; L810-H812 PolarHBondContact O-N 3.38Å; H812-I818 WeakPolarHBondContact O-CG1 2.99Å
813H90.9Very high90Very high4 Ų423.9 Ų23.92%0.01912%0.12CC..G310 helixtrans-79.5-17.1175.2-172.570.7000113.3F417 H488 S489 D541 F543 L810 S811F417-H813 AromaticContact CE1-CD2 3.63Å; F417-H813 AromaticContact CE1-NE2 3.98Å; H488-H813 PolarHBondContact CE1-O 3.39Å; H488-H813 PolarHBondContact NE2-O 3.02Å; S489-H813 VanDerWaalsContact CB-CE1 3.44Å; S489-H813 WeakPolarHBondContact CB-CE1 3.36Å; S489-H813 WeakPolarHBondContact CB-NE2 3.35Å; S489-H813 PolarHBondContact OG-CE1 2.91Å; S489-H813 PolarHBondContact OG-NE2 3.37Å; D541-H813 IonicContact OD1-CG 2.79Å; D541-H813 IonicContact OD1-ND1 3.8Å; D541-H813 PolarHBondContact OD1-ND1 3.4Å; D541-H813 VanDerWaalsContact OD1-ND1 3.09Å; D541-H813 IonicContact OD2-CG 2.68Å; D541-H813 IonicContact OD2-ND1 2.95Å; D541-H813 PolarHBondContact OD2-ND1 2.92Å; F543-H813 HydrophobicContact CD2-CB 3.96Å; F543-H813 AromaticContact CD2-CD2 3.56Å; F543-H813 AromaticContact CD2-CE1 3.57Å; F543-H813 AromaticContact CD2-CG 3.33Å; F543-H813 AromaticContact CD2-ND1 3.37Å; F543-H813 WeakPolarHBondContact CD2-ND1 3.39Å; F543-H813 AromaticContact CD2-NE2 3.69Å; F543-H813 HydrophobicContact CE2-CB 4.36Å; F543-H813 AromaticContact CE2-CD2 3.84Å; F543-H813 AromaticContact CE2-CG 3.92Å; F543-H813 AromaticContact CG-CE1 3.71Å; F543-H813 AromaticContact CG-ND1 3.84Å; L810-H813 WeakPolarHBondContact O-CB 3.28Å; L810-H813 PolarHBondContact O-N 3.48Å; S811-H813 PolarHBondContact O-N 3.25Å
814F88.4Confident90Very high37 Ų3724.7 Ų24.716%0.16213%0.126CC..SBendtrans-73.2143.2-175.9-74.1-70.8000112.3T223 I227 F417 S811 D816 R817 I818T223-F814 HydrophobicContact CG2-CZ 4.41Å; I227-F814 HydrophobicContact CD1-CE2 3.5Å; I227-F814 HydrophobicContact CD1-CZ 3.8Å; I227-F814 HydrophobicContact CG1-CE2 3.55Å; I227-F814 HydrophobicContact CG1-CZ 3.37Å; F417-F814 HydrophobicContact CZ-CE1 4.48Å; S811-F814 PolarHBondContact O-N 2.87Å; F814-D816 VanDerWaalsContact C-N 3.28Å; F814-D816 WeakPolarHBondContact CB-OD1 3.38Å; F814-D816 PolarHBondContact O-N 3.49Å; F814-R817 HydrophobicContact CB-CG 4.28Å; F814-R817 WeakPolarHBondContact O-CB 3.25Å; F814-R817 PolarHBondContact O-N 3.47Å; F814-I818 PolarHBondContact O-N 3.03Å; F814-I818 VanDerWaalsContact O-N 3.14Å
815P90.8Very high89.8Confident6 Ų624.7 Ų24.74%0.03913%0.126CC..Hα-helixtrans-63.6-33.6-174.726.6-35.8000112.4T313 Y316 L320 R817 I818 L819T313-P815 HydrophobicContact CG2-CB 4.22Å; Y316-P815 HydrophobicContact CD2-CB 4.4Å; Y316-P815 HydrophobicContact CD2-CG 4.01Å; Y316-P815 HydrophobicContact CE2-CB 4.01Å; Y316-P815 HydrophobicContact CE2-CG 3.76Å; L320-P815 HydrophobicContact CD1-CG 4.36Å; L320-P815 HydrophobicContact CD2-CB 4.47Å; L320-P815 HydrophobicContact CD2-CG 3.88Å; P815-R817 VanDerWaalsContact C-N 3.31Å; P815-R817 PolarHBondContact O-N 3.37Å; P815-I818 PolarHBondContact O-N 2.68Å; P815-L819 VanDerWaalsContact O-CB 3.3Å; P815-L819 WeakPolarHBondContact O-CB 3.33Å; P815-L819 PolarHBondContact O-N 2.96Å
816D88.7Confident89.5Confident38 Ų3825 Ų2520%0.20313%0.127CC..Hα-helixtrans-65.4-33.817668.5-51.6000112.6L320 M324 F814 E820L320-D816 HydrophobicContact CD1-CB 4.47Å; M324-D816 HydrophobicContact CE-CB 3.7Å; M324-D816 HydrophobicContact CG-CB 3.99Å; M324-D816 HydrophobicContact SD-CB 3.69Å; F814-D816 VanDerWaalsContact C-N 3.28Å; F814-D816 WeakPolarHBondContact CB-OD1 3.38Å; F814-D816 PolarHBondContact O-N 3.49Å; D816-E820 WeakPolarHBondContact O-CB 3.41Å; D816-E820 PolarHBondContact O-N 3.11Å
817R90.5Very high89.2Confident101 Ų10126.5 Ų26.538%0.38113%0.134SC..Hα-helixtrans-76.2-38.3179.5-65-54.8-170.1177-3.2112.6Y538 S811 F814 P815 E820 A821Y538-R817 HydrophobicContact CD1-CB 4.49Å; Y538-R817 HydrophobicContact CE1-CB 4.24Å; S811-R817 WeakPolarHBondContact O-CB 3.35Å; S811-R817 WeakPolarHBondContact O-CG 3.48Å; F814-R817 HydrophobicContact CB-CG 4.28Å; F814-R817 WeakPolarHBondContact O-CB 3.25Å; F814-R817 PolarHBondContact O-N 3.47Å; P815-R817 VanDerWaalsContact C-N 3.31Å; P815-R817 PolarHBondContact O-N 3.37Å; R817-E820 IonicContact CZ-OE2 3.69Å; R817-E820 IonicContact NH1-OE2 2.69Å; R817-E820 PolarHBondContact NH1-OE2 3Å; R817-E820 PolarHBondContact O-N 3.34Å; R817-A821 WeakPolarHBondContact O-CB 3.15Å; R817-A821 PolarHBondContact O-N 2.81Å
818I92.8Very high89Confident2 Ų223.3 Ų23.31%0.0111%0.113CC..Hα-helixtrans-67.4-43.8174.1-61158000109.3H488 F514 S515 Y538 H812 F814 P815 E820 A821 V822H488-I818 VanDerWaalsContact NE2-CD1 3.28Å; H488-I818 WeakPolarHBondContact NE2-CD1 3.23Å; F514-I818 HydrophobicContact CD1-CG2 3.88Å; S515-I818 WeakPolarHBondContact OG-CD1 3.36Å; Y538-I818 HydrophobicContact CD1-CG1 4.46Å; H812-I818 WeakPolarHBondContact O-CG1 2.99Å; F814-I818 PolarHBondContact O-N 3.03Å; F814-I818 VanDerWaalsContact O-N 3.14Å; P815-I818 PolarHBondContact O-N 2.68Å; I818-E820 PolarHBondContact O-N 3.2Å; I818-A821 PolarHBondContact O-N 3.42Å; I818-A821 VanDerWaalsContact O-N 3.15Å; I818-V822 HydrophobicContact CG2-CG2 4.35Å; I818-V822 WeakPolarHBondContact O-CG2 3.5Å; I818-V822 PolarHBondContact O-N 2.86Å
819L93.9Very high88.5Confident1 Ų122 Ų221%0.00511%0.108CC..Hα-helixtrans-60-43.7174.3-179.261.9000112Y306 A309 E310 T313 M324 F374 P815 A821 V822 S823Y306-L819 HydrophobicContact CD2-CD1 4.29Å; Y306-L819 HydrophobicContact CE2-CD1 3.97Å; A309-L819 HydrophobicContact CB-CD1 3.78Å; E310-L819 HydrophobicContact CG-CD1 3.95Å; T313-L819 HydrophobicContact CG2-CD2 3.98Å; M324-L819 HydrophobicContact CE-CD2 4.46Å; F374-L819 HydrophobicContact CE1-CD2 3.92Å; F374-L819 HydrophobicContact CZ-CD2 3.67Å; P815-L819 VanDerWaalsContact O-CB 3.3Å; P815-L819 WeakPolarHBondContact O-CB 3.33Å; P815-L819 PolarHBondContact O-N 2.96Å; L819-A821 VanDerWaalsContact C-N 3.33Å; L819-A821 PolarHBondContact O-N 3.44Å; L819-V822 PolarHBondContact O-N 2.89Å; L819-S823 VanDerWaalsContact O-CB 3.26Å; L819-S823 WeakPolarHBondContact O-CB 3.39Å; L819-S823 PolarHBondContact O-N 3.19Å
820E92Very high87.6Confident40 Ų4024.7 Ų24.719%0.18712%0.122CC..Hα-helixtrans-58.6-44.2173.5-173.7-175.3-179.400111.1F769 K788 D816 R817 I818 S823 C824F769-E820 HydrophobicContact CE1-CB 4.33Å; F769-E820 HydrophobicContact CE1-CG 4.22Å; F769-E820 HydrophobicContact CZ-CB 4.42Å; K788-E820 IonicContact NZ-OE1 3.53Å; K788-E820 PolarHBondContact NZ-OE1 2.8Å; K788-E820 IonicContact NZ-OE2 2.86Å; D816-E820 WeakPolarHBondContact O-CB 3.41Å; D816-E820 PolarHBondContact O-N 3.11Å; R817-E820 IonicContact CZ-OE2 3.69Å; R817-E820 IonicContact NH1-OE2 2.69Å; R817-E820 PolarHBondContact NH1-OE2 3Å; R817-E820 PolarHBondContact O-N 3.34Å; I818-E820 PolarHBondContact O-N 3.2Å; E820-S823 WeakPolarHBondContact O-CB 3.39Å; E820-S823 PolarHBondContact O-N 3.29Å; E820-C824 PolarHBondContact O-N 3.44Å; E820-C824 PolarHBondContact O-SG 3.37Å; E820-C824 VanDerWaalsContact O-SG 3.36Å
821A92.8Very high86.8Confident2 Ų225.3 Ų25.32%0.01713%0.129CC..Hα-helixtrans-65.7-45.3179.500000112.6Y538 L727 I790 R817 I818 L819 S823 C824 L825Y538-A821 HydrophobicContact CD1-CB 4.29Å; Y538-A821 HydrophobicContact CD2-CB 3.91Å; Y538-A821 HydrophobicContact CE1-CB 4.14Å; Y538-A821 HydrophobicContact CE2-CB 3.78Å; Y538-A821 HydrophobicContact CG-CB 4.19Å; L727-A821 HydrophobicContact CD1-CB 4.14Å; I790-A821 HydrophobicContact CD1-CB 4.46Å; R817-A821 WeakPolarHBondContact O-CB 3.15Å; R817-A821 PolarHBondContact O-N 2.81Å; I818-A821 PolarHBondContact O-N 3.42Å; I818-A821 VanDerWaalsContact O-N 3.15Å; L819-A821 VanDerWaalsContact C-N 3.33Å; L819-A821 PolarHBondContact O-N 3.44Å; A821-S823 VanDerWaalsContact C-N 3.3Å; A821-S823 PolarHBondContact O-N 3.21Å; A821-C824 PolarHBondContact O-N 3.01Å; A821-L825 PolarHBondContact O-N 2.86Å
822V93.7Very high85.2Confident1 Ų125.2 Ų25.21%0.00612%0.124CC..Hα-helixtrans-63.2-38.3175.21760000110.7I302 I305 Y306 L727 I818 L819 L825 R826I302-V822 HydrophobicContact CD1-CG1 4.25Å; I305-V822 HydrophobicContact CG2-CG1 4.07Å; Y306-V822 HydrophobicContact CD2-CG1 4.23Å; L727-V822 HydrophobicContact CD1-CG2 3.63Å; I818-V822 HydrophobicContact CG2-CG2 4.35Å; I818-V822 WeakPolarHBondContact O-CG2 3.5Å; I818-V822 PolarHBondContact O-N 2.86Å; L819-V822 PolarHBondContact O-N 2.89Å; V822-L825 PolarHBondContact O-N 3.42Å; V822-R826 WeakPolarHBondContact O-CB 3.42Å; V822-R826 PolarHBondContact O-N 3.16Å
823S92Very high83.5Confident8 Ų829.4 Ų29.46%0.05616%0.155CC..Hα-helixtrans-62.4-45.1175.3-168.30000112.3L819 E820 A821 R826 Q827L819-S823 VanDerWaalsContact O-CB 3.26Å; L819-S823 WeakPolarHBondContact O-CB 3.39Å; L819-S823 PolarHBondContact O-N 3.19Å; E820-S823 WeakPolarHBondContact O-CB 3.39Å; E820-S823 PolarHBondContact O-N 3.29Å; A821-S823 VanDerWaalsContact C-N 3.3Å; A821-S823 PolarHBondContact O-N 3.21Å; S823-R826 PolarHBondContact O-N 2.84Å; S823-Q827 WeakPolarHBondContact O-CB 3.49Å; S823-Q827 WeakPolarHBondContact O-CG 3.26Å; S823-Q827 PolarHBondContact O-N 3.42Å
824C89.9Confident81.6Confident20 Ų2033 Ų3314%0.13519%0.185CC..Hα-helixtrans-61.6-48.8176-71.40000111.4I790 E820 A821 R826 Q827 E828I790-C824 HydrophobicContact CB-CB 4.21Å; I790-C824 HydrophobicContact CG1-CB 3.59Å; E820-C824 PolarHBondContact O-N 3.44Å; E820-C824 PolarHBondContact O-SG 3.37Å; E820-C824 VanDerWaalsContact O-SG 3.36Å; A821-C824 PolarHBondContact O-N 3.01Å; C824-R826 VanDerWaalsContact C-N 3.3Å; C824-R826 PolarHBondContact O-N 3.15Å; C824-Q827 PolarHBondContact O-N 3.47Å; C824-Q827 VanDerWaalsContact O-N 3.14Å; C824-E828 WeakPolarHBondContact O-CG 3.46Å; C824-E828 PolarHBondContact O-N 3.21Å
825L87.6Confident79.6Confident0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-56.9-43.7176.1177.261.3000111.7I302 L727 I790 A821 V822 E828 L829I302-L825 HydrophobicContact CD1-CD2 3.68Å; I302-L825 HydrophobicContact CD1-CG 3.96Å; I302-L825 HydrophobicContact CG1-CG 4.34Å; L727-L825 HydrophobicContact CD2-CD2 3.7Å; I790-L825 HydrophobicContact CB-CB 4.32Å; I790-L825 HydrophobicContact CG2-CB 4.07Å; I790-L825 WeakPolarHBondContact O-CD1 3.31Å; A821-L825 PolarHBondContact O-N 2.86Å; V822-L825 PolarHBondContact O-N 3.42Å; L825-E828 PolarHBondContact O-N 3.35Å; L825-L829 HydrophobicContact CD1-CD1 4.06Å; L825-L829 HydrophobicContact CD1-CG 4.45Å; L825-L829 HydrophobicContact CG-CD1 4.09Å; L825-L829 WeakPolarHBondContact O-CG 3.32Å; L825-L829 PolarHBondContact O-N 2.89Å
826R86.4Confident77.3Confident18 Ų1841.5 Ų41.57%0.06824%0.24CC..Hα-helixtrans-61.4-46.7175.6-172.5-164121-170.2-1.4111.9I302 E766 V822 S823 C824 E828 L829 L830I302-R826 HydrophobicContact CG1-CB 3.97Å; I302-R826 HydrophobicContact CG1-CG 4.39Å; I302-R826 HydrophobicContact CG2-CG 4.45Å; E766-R826 IonicContact OE2-NH2 3.62Å; V822-R826 WeakPolarHBondContact O-CB 3.42Å; V822-R826 PolarHBondContact O-N 3.16Å; S823-R826 PolarHBondContact O-N 2.84Å; C824-R826 VanDerWaalsContact C-N 3.3Å; C824-R826 PolarHBondContact O-N 3.15Å; R826-E828 VanDerWaalsContact C-N 3.32Å; R826-E828 PolarHBondContact O-N 2.99Å; R826-L829 PolarHBondContact O-N 3.26Å; R826-L830 HydrophobicContact CG-CD1 3.94Å; R826-L830 HydrophobicContact CG-CG 4.41Å; R826-L830 WeakPolarHBondContact O-CB 3.15Å; R826-L830 VanDerWaalsContact O-CG 3.29Å; R826-L830 WeakPolarHBondContact O-CG 3.4Å; R826-L830 PolarHBondContact O-N 3.27Å
827Q83.6Confident75.1Confident62 Ų6247.5 Ų47.529%0.2927%0.271SS..Hα-helixtrans-64.1-38.3-179.8-77178.8-9.700112.1S823 C824 L830 S831S823-Q827 WeakPolarHBondContact O-CB 3.49Å; S823-Q827 WeakPolarHBondContact O-CG 3.26Å; S823-Q827 PolarHBondContact O-N 3.42Å; C824-Q827 PolarHBondContact O-N 3.47Å; C824-Q827 VanDerWaalsContact O-N 3.14Å; Q827-L830 PolarHBondContact O-N 3.4Å; Q827-S831 VanDerWaalsContact O-CB 3.32Å; Q827-S831 WeakPolarHBondContact O-CB 3.29Å; Q827-S831 PolarHBondContact O-N 2.94Å; Q827-S831 PolarHBondContact O-OG 3.47Å
828E78.1Confident72.8Confident6 Ų647.9 Ų47.93%0.02828%0.281CS..Hα-helixtrans-61.6-50.5174.8-73.8161.3-136.300110.6T789 I790 C824 L825 R826 L830 S831 Y851T789-E828 WeakPolarHBondContact CA-OE1 3.25Å; T789-E828 WeakPolarHBondContact CG2-OE2 3.3Å; I790-E828 VanDerWaalsContact N-CD 3.35Å; I790-E828 PolarHBondContact N-OE1 3.44Å; I790-E828 PolarHBondContact N-OE2 3.46Å; C824-E828 WeakPolarHBondContact O-CG 3.46Å; C824-E828 PolarHBondContact O-N 3.21Å; L825-E828 PolarHBondContact O-N 3.35Å; R826-E828 VanDerWaalsContact C-N 3.32Å; R826-E828 PolarHBondContact O-N 2.99Å; E828-L830 VanDerWaalsContact C-N 3.32Å; E828-L830 PolarHBondContact O-N 3.47Å; E828-S831 PolarHBondContact O-N 3.45Å; E828-S831 PolarHBondContact O-OG 3.12Å; E828-S831 VanDerWaalsContact O-OG 3.05Å; E828-Y851 HydrophobicContact CB-CD1 4.16Å; E828-Y851 HydrophobicContact CB-CE1 3.95Å; E828-Y851 HydrophobicContact CG-CE1 4.35Å; E828-Y851 WeakPolarHBondContact OE2-CE1 3.15Å
829L74Confident70.4Confident28 Ų2855.1 Ų55.115%0.14732%0.319CS..Hα-helixtrans-62.1-33.9176.4-72.7167.2000113.7I302 L825 R826 S848 Y851 I852I302-L829 HydrophobicContact CB-CD1 3.89Å; I302-L829 HydrophobicContact CG1-CD1 3.92Å; I302-L829 HydrophobicContact CG2-CB 4.4Å; I302-L829 HydrophobicContact CG2-CD1 3.69Å; L825-L829 HydrophobicContact CD1-CD1 4.06Å; L825-L829 HydrophobicContact CD1-CG 4.45Å; L825-L829 HydrophobicContact CG-CD1 4.09Å; L825-L829 WeakPolarHBondContact O-CG 3.32Å; L825-L829 PolarHBondContact O-N 2.89Å; R826-L829 PolarHBondContact O-N 3.26Å; L829-S848 VanDerWaalsContact CD2-O 3.32Å; L829-S848 WeakPolarHBondContact CD2-O 3.36Å; L829-Y851 HydrophobicContact CD2-CD2 3.96Å; L829-Y851 HydrophobicContact CD2-CG 4.37Å; L829-Y851 HydrophobicContact CG-CD2 4.49Å; L829-I852 HydrophobicContact CD1-CD1 4.36Å
830L72.2Confident68Low73 Ų7359.6 Ų59.638%0.38234%0.344SS..Hα-helixtrans-79.6-37.8177.9-71.4174.9000113.1R826 Q827 E828 E832 S833R826-L830 HydrophobicContact CG-CD1 3.94Å; R826-L830 HydrophobicContact CG-CG 4.41Å; R826-L830 WeakPolarHBondContact O-CB 3.15Å; R826-L830 VanDerWaalsContact O-CG 3.29Å; R826-L830 WeakPolarHBondContact O-CG 3.4Å; R826-L830 PolarHBondContact O-N 3.27Å; Q827-L830 PolarHBondContact O-N 3.4Å; E828-L830 VanDerWaalsContact C-N 3.32Å; E828-L830 PolarHBondContact O-N 3.47Å; L830-E832 PolarHBondContact O-N 2.89Å; L830-S833 PolarHBondContact O-N 3.37Å; L830-S833 VanDerWaalsContact O-N 3.11Å; L830-S833 PolarHBondContact O-OG 3.05Å
831S68Low65.9Low41 Ų4164.3 Ų64.329%0.28737%0.37SS..Hα-helixtrans-62.9-25.1-176.555.20000113.7R787 Q827 E828 N835R787-S831 PolarHBondContact NH2-OG 3.44Å; Q827-S831 VanDerWaalsContact O-CB 3.32Å; Q827-S831 WeakPolarHBondContact O-CB 3.29Å; Q827-S831 PolarHBondContact O-N 2.94Å; Q827-S831 PolarHBondContact O-OG 3.47Å; E828-S831 PolarHBondContact O-N 3.45Å; E828-S831 PolarHBondContact O-OG 3.12Å; E828-S831 VanDerWaalsContact O-OG 3.05Å; S831-N835 PolarHBondContact O-N 3.13Å
832E53Low63.7Low35 Ų3568.8 Ų68.816%0.16439%0.393CS..Hα-helixtrans-82.9-27.7176-72.8174.1-173.500113.2L830 A834 N835 L846 Y851L830-E832 PolarHBondContact O-N 2.89Å; E832-A834 PolarHBondContact O-N 3.19Å; E832-N835 PolarHBondContact O-N 2.99Å; E832-L846 VanDerWaalsContact OE1-O 3.04Å; E832-Y851 WeakPolarHBondContact OE1-CE2 3.35Å; E832-Y851 PolarHBondContact OE1-OH 3.15Å; E832-Y851 WeakPolarHBondContact OE2-CE2 3.32Å
833S54Low61.3Low95 Ų9572.5 Ų72.566%0.66442%0.415SS*.Hα-helixtrans-64.1-21173.570.40000113.2L830L830-S833 PolarHBondContact O-N 3.37Å; L830-S833 VanDerWaalsContact O-N 3.11Å; L830-S833 PolarHBondContact O-OG 3.05Å
834A51Low58.9Low78 Ų7875.8 Ų75.865%0.64543%0.432SS*.Hα-helixtrans-96.2-25.9179.100000114E832E832-A834 PolarHBondContact O-N 3.19Å
835N45.4Very low56.8Low115 Ų11577.7 Ų77.762%0.61545%0.445SS*.  trans-108.474.8-175.4-742.4000110.6S831 E832 L837S831-N835 PolarHBondContact O-N 3.13Å; E832-N835 PolarHBondContact O-N 2.99Å; N835-L837 VanDerWaalsContact C-N 3.33Å
836S43.1Very low54.9Low107 Ų10778.3 Ų78.375%0.74845%0.449SS*.SBendtrans-92.221.3172.569.20000113.7
837L42.5Very low52.9Low165 Ų16584.9 Ų84.986%0.86448%0.478SS*.SBendtrans-14216.7-170.2-81165.2000115.5N835N835-L837 VanDerWaalsContact C-N 3.33Å
838D43Very low51Low108 Ų10886.2 Ų86.258%0.57849%0.494SS*.  trans-118.3118.9-178.8-150.411.7000112.6N840D838-N840 VanDerWaalsContact C-N 3.29Å; D838-N840 PolarHBondContact O-N 2.9Å
839D41.1Very low49.6Very low154 Ų15490.5 Ų90.582%0.82453%0.525SS*.  trans-78.257.7-171.3-81.7-29000113.1
840N44.3Very low48.9Very low96 Ų9689.7 Ų89.751%0.51352%0.523SS..  trans-107.9101.2170.7-83.9-56.1000111.7D838 I842 V843 N844D838-N840 VanDerWaalsContact C-N 3.29Å; D838-N840 PolarHBondContact O-N 2.9Å; N840-I842 VanDerWaalsContact C-N 3.27Å; N840-I842 PolarHBondContact O-N 3.42Å; N840-I842 VanDerWaalsContact O-N 3.14Å; N840-V843 PolarHBondContact O-N 3.26Å; N840-V843 VanDerWaalsContact O-N 3.09Å; N840-N844 PolarHBondContact O-N 3.28Å; N840-N844 VanDerWaalsContact O-N 3.08Å
841D47.5Very low48.9Very low139 Ų13987 Ų8774%0.74351%0.508SS*.Hα-helixtrans-52.5-34.2-176.2-81.7-24.3000115.3N844 S845D841-N844 PolarHBondContact O-N 3.28Å; D841-S845 PolarHBondContact O-N 3.44Å
842I47.9Very low49.2Very low95 Ų9586.7 Ų86.749%0.48750%0.503SS..Hα-helixtrans-71-36.8-177.8-60.8176.2000110.9V732 N840 S845V732-I842 HydrophobicContact CG1-CG2 4.31Å; N840-I842 VanDerWaalsContact C-N 3.27Å; N840-I842 PolarHBondContact O-N 3.42Å; N840-I842 VanDerWaalsContact O-N 3.14Å; I842-S845 PolarHBondContact O-OG 2.96Å
843V42.7Very low50.1Low79 Ų7985.2 Ų85.248%0.47950%0.496SS..Hα-helixtrans-78.7-33.4177.4-1770000110.4N840 S845 L846N840-V843 PolarHBondContact O-N 3.26Å; N840-V843 VanDerWaalsContact O-N 3.09Å; V843-S845 PolarHBondContact O-N 3.19Å; V843-S845 VanDerWaalsContact O-N 3.12Å; V843-L846 WeakPolarHBondContact O-CB 3.44Å; V843-L846 PolarHBondContact O-N 2.83Å
844N41.3Very low51Low78 Ų7883.1 Ų83.142%0.41748%0.475SS..Hα-helixtrans-59.8-21.7173.5-79.1-27.1000114.2N840 D841 L846N840-N844 PolarHBondContact O-N 3.28Å; N840-N844 VanDerWaalsContact O-N 3.08Å; D841-N844 PolarHBondContact O-N 3.28Å; N844-L846 PolarHBondContact O-N 3.41Å
845S46.1Very low51.7Low59 Ų5980 Ų8041%0.41345%0.447SS..THydrogen-bonded Turntrans-65.9-15.4172.477.60000113.8D841 I842 V843D841-S845 PolarHBondContact O-N 3.44Å; I842-S845 PolarHBondContact O-OG 2.96Å; V843-S845 PolarHBondContact O-N 3.19Å; V843-S845 VanDerWaalsContact O-N 3.12Å
846L48.4Very low52.6Low13 Ų1381.3 Ų81.37%0.06845%0.448CS..SBendtrans-11374.3177-70.2149.4000108.1L272 E832 V843 N844 Y851L272-L846 HydrophobicContact CD1-CD1 4.49Å; L272-L846 HydrophobicContact CD1-CD2 4.24Å; L272-L846 HydrophobicContact CD2-CD1 3.92Å; E832-L846 VanDerWaalsContact OE1-O 3.04Å; V843-L846 WeakPolarHBondContact O-CB 3.44Å; V843-L846 PolarHBondContact O-N 2.83Å; N844-L846 PolarHBondContact O-N 3.41Å; L846-Y851 HydrophobicContact CB-CE2 3.86Å; L846-Y851 HydrophobicContact CD1-CE1 4.28Å; L846-Y851 HydrophobicContact CD2-CD1 4.25Å; L846-Y851 HydrophobicContact CD2-CE1 3.99Å; L846-Y851 HydrophobicContact CD2-CE2 4.28Å
847K44Very low53Low156 Ų15681.4 Ų81.468%0.67844%0.44SS*.  trans-67.7164.7169.2-72-176.1177.4179.70110.7S849 G850K847-S849 PolarHBondContact O-N 3.4Å; K847-G850 WeakPolarHBondContact O-CA 3.3Å; K847-G850 PolarHBondContact O-N 3.48Å
848S44.3Very low53.1Low91 Ų9176.8 Ų76.864%0.63642%0.418SS*.THydrogen-bonded Turntrans-38.8-30.6-176.3600000118.2L829L829-S848 VanDerWaalsContact CD2-O 3.32Å; L829-S848 WeakPolarHBondContact CD2-O 3.36Å
849S48.4Very low52.6Low95 Ų9578.8 Ų78.866%0.66444%0.441SS*.THydrogen-bonded Turntrans-92.6-2.517856.60000114.6K847K847-S849 PolarHBondContact O-N 3.4Å
850G59.1Low53.2Low12 Ų1275 Ų7512%0.12442%0.422CS..THydrogen-bonded Turntrans-91.4-12.5-163.300000116.8K847 R853K847-G850 WeakPolarHBondContact O-CA 3.3Å; K847-G850 PolarHBondContact O-N 3.48Å; G850-R853 VanDerWaalsContact O-CG 3.28Å; G850-R853 WeakPolarHBondContact O-CG 3.37Å; G850-R853 PolarHBondContact O-NE 3.24Å
851Y71.2Confident53.7Low15 Ų1573.9 Ų73.96%0.05942%0.417CS..THydrogen-bonded Turntrans-85.9-13.8176.5-66.3-95.5000113.5T789 V791 G792 E828 L829 E832 L846T789-Y851 HydrophobicContact CG2-CE1 4.32Å; V791-Y851 VanDerWaalsContact CG1-O 3.29Å; V791-Y851 WeakPolarHBondContact CG1-O 3.09Å; V791-Y851 HydrophobicContact CG2-CD1 3.95Å; G792-Y851 PolarHBondContact N-O 3.5Å; G792-Y851 VanDerWaalsContact O-O 3.12Å; E828-Y851 HydrophobicContact CB-CD1 4.16Å; E828-Y851 HydrophobicContact CB-CE1 3.95Å; E828-Y851 HydrophobicContact CG-CE1 4.35Å; E828-Y851 WeakPolarHBondContact OE2-CE1 3.15Å; L829-Y851 HydrophobicContact CD2-CD2 3.96Å; L829-Y851 HydrophobicContact CD2-CG 4.37Å; L829-Y851 HydrophobicContact CG-CD2 4.49Å; E832-Y851 WeakPolarHBondContact OE1-CE2 3.35Å; E832-Y851 PolarHBondContact OE1-OH 3.15Å; E832-Y851 WeakPolarHBondContact OE2-CE2 3.32Å; L846-Y851 HydrophobicContact CB-CE2 3.86Å; L846-Y851 HydrophobicContact CD1-CE1 4.28Å; L846-Y851 HydrophobicContact CD2-CD1 4.25Å; L846-Y851 HydrophobicContact CD2-CE1 3.99Å; L846-Y851 HydrophobicContact CD2-CE2 4.28Å
852I74.5Confident54Low36 Ų3670.3 Ų70.319%0.18540%0.399CS..EExtended strand (participates in β ladder)trans-109.8109169.2-60.9-179.7000107.5L725 G792 W794 L829L725-I852 HydrophobicContact CD1-CG2 4.16Å; G792-I852 CarbonylContact O-C 3.57Å; G792-I852 VanDerWaalsContact O-CA 3.27Å; G792-I852 WeakPolarHBondContact O-CA 3.45Å; W794-I852 HydrophobicContact CZ2-CG2 4.45Å; W794-I852 VanDerWaalsContact NE1-CG2 3.32Å; L829-I852 HydrophobicContact CD1-CD1 4.36Å
853R73.1Confident54.4Low4 Ų468.8 Ų68.82%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-112.8146.7-171.2-66.5174.4176.6-127.24.2111.7H276 T279 G792 V793 W794 G850H276-R853 VanDerWaalsContact CA-NH1 3.27Å; H276-R853 PolarHBondContact CD2-NH1 3.28Å; H276-R853 PolarHBondContact CE1-NH1 3.09Å; H276-R853 PolarHBondContact CE1-NH2 2.98Å; H276-R853 PolarHBondContact ND1-NH1 3.45Å; H276-R853 PolarHBondContact NE2-NH2 3.46Å; T279-R853 HydrophobicContact CG2-CB 3.57Å; T279-R853 HydrophobicContact CG2-CG 4.34Å; T279-R853 WeakPolarHBondContact OG1-CD 3.39Å; T279-R853 PolarHBondContact OG1-NH1 3.19Å; G792-R853 PolarHBondContact O-N 3.19Å; V793-R853 CarbonylContact C-O 3.58Å; V793-R853 WeakPolarHBondContact CA-O 3.07Å; W794-R853 PolarHBondContact N-O 3.07Å; G850-R853 VanDerWaalsContact O-CG 3.28Å; G850-R853 WeakPolarHBondContact O-CG 3.37Å; G850-R853 PolarHBondContact O-NE 3.24Å
854K72.3Confident55.1Low50 Ų5068.2 Ų68.222%0.21739%0.388CS..EExtended strand (participates in β ladder)trans-86.6128.6168.9-167.1-177.8174-170.60108.6T279 N285T279-K854 WeakPolarHBondContact CA-O 3.39Å; T279-K854 VanDerWaalsContact CB-O 3.25Å; T279-K854 WeakPolarHBondContact CB-O 2.87Å; N285-K854 PolarHBondContact O-NZ 3.41Å
855L66.3Low56Low12 Ų1267.5 Ų67.56%0.06339%0.386CS..PPolyproline II helixtrans-68.9138.1168.3-158.777.1000109.1D278 L666 V793 W794 N857D278-L855 HydrophobicContact CB-CD1 4.39Å; L666-L855 HydrophobicContact CB-CD1 4.15Å; V793-L855 HydrophobicContact CG1-CB 4.12Å; V793-L855 HydrophobicContact CG1-CD1 4Å; W794-L855 WeakPolarHBondContact O-CB 3.41Å; W794-L855 PolarHBondContact O-N 3.37Å; L855-N857 PolarHBondContact O-N 3.29Å; L855-N857 VanDerWaalsContact O-N 3.07Å
856K64.3Low56.7Low144 Ų14468.1 Ų68.163%0.62638%0.384SS*.PPolyproline II helixtrans-52.8123.1172.8-172171.9-177.6173.90108.2D278 T858D278-K856 PolarHBondContact O-N 2.04Å; K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 PolarHBondContact O-N 2.62Å
857N51.4Low57.4Low109 Ų10972.4 Ų72.458%0.58341%0.408SS*.  trans-59.6101.5171.8-86.6-0.7000106.3L855 S859L855-N857 PolarHBondContact O-N 3.29Å; L855-N857 VanDerWaalsContact O-N 3.07Å; N857-S859 PolarHBondContact O-N 3.35Å
858T44Very low58.5Low67 Ų6765.4 Ų65.441%0.41139%0.386SS..  trans-89.568.9172.557.30000106.5P671 K856P671-T858 HydrophobicContact CB-CG2 4.45Å; P671-T858 WeakPolarHBondContact CB-O 3.22Å; P671-T858 WeakPolarHBondContact CB-OG1 3.01Å; P671-T858 HydrophobicContact CG-CG2 4.2Å; K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 PolarHBondContact O-N 2.62Å
859S32.9Very low59.8Low150 Ų15063.1 Ų63.1100%1.04936%0.363SS*.  trans-73.10165.456.80000109.5N857N857-S859 PolarHBondContact O-N 3.35Å

Retrieved 859 of 859 residues in 264.5 ms (Link to these results)

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