A0A077Z3H4_TRITR Loading...

Transmembrane protease serine 9

AlphaFold DB , UniProt , Accession A0A077Z3H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M41.3Very low82.6Confident178 Ų17881.5 Ų81.588%0.87744%0.443SS*.  067.90-63.8-173.4-139.900111G3M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 2.87Å
2R50.5Low83.5Confident220 Ų22075.8 Ų75.883%0.8341%0.413SS*.THydrogen-bonded Turntrans-77.92.4-173.8-76.8-174.6173.9-176.9-3115.4
3G58Low84.1Confident64 Ų6475.8 Ų75.866%0.6641%0.413SS*.THydrogen-bonded Turntrans-109.3-8.4-173.900000116.9M1M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 2.87Å
4N85.1Confident84.3Confident115 Ų11575.9 Ų75.962%0.61541%0.412SS*.SBendtrans-122.433.5-168.8-155.620.1000114.1
5C96.6Very high83.9Confident20 Ų2074.8 Ų74.814%0.13541%0.412CS..SBendtrans-107.3161.7175.2630000111.3S7 P127 C129 Q218C5-S7 PolarHBondContact O-N 3.12Å; C5-S7 VanDerWaalsContact O-N 3.13Å; C5-S7 PolarHBondContact O-OG 2.62Å; C5-P127 CarbonylContact C-O 3.54Å; C5-P127 VanDerWaalsContact CA-O 3.26Å; C5-P127 WeakPolarHBondContact CA-O 3.12Å; C5-P127 HydrophobicContact CB-CB 4.4Å; C5-P127 HydrophobicContact CB-CG 4.06Å; C5-C129 HydrophobicContact CB-CB 4.06Å; C5-C129 WeakPolarHBondContact CB-SG 3.48Å; C5-C129 PolarHBondContact O-SG 2.82Å; C5-C129 WeakPolarHBondContact SG-CA 3.44Å; C5-C129 WeakPolarHBondContact SG-CB 3.18Å; C5-C129 CovalentContact SG-SG 2.05Å; C5-C129 PolarHBondContact SG-SG 3.18Å; C5-Q218 PolarHBondContact O-NE2 2.94Å
6G97.6Very high82.6Confident0 Ų081.5 Ų81.50%043%0.43CS..SBendtrans64.618.9169.100000114.4P127 Q218 W219G6-P127 PolarHBondContact N-O 2.88Å; G6-Q218 CarbonylContact O-C 3.6Å; G6-Q218 WeakPolarHBondContact O-CA 3.44Å; G6-W219 WeakPolarHBondContact CA-O 3.4Å; G6-W219 VanDerWaalsContact O-CD1 3.31Å; G6-W219 PolarHBondContact O-N 3.11Å
7S96.5Very high81.2Confident52 Ų5276.8 Ų76.836%0.36441%0.405SS..  trans-127.974-172.5-69.80000110.1C5C5-S7 PolarHBondContact O-N 3.12Å; C5-S7 VanDerWaalsContact O-N 3.13Å; C5-S7 PolarHBondContact O-OG 2.62Å
8P96.6Very high79.8Confident1 Ų178.7 Ų78.71%0.00642%0.42CS..  trans-67.1140-175.131.7-37000110.6V10 K11 P29 W30P8-V10 WeakPolarHBondContact CB-O 3.46Å; P8-K11 PolarHBondContact O-NZ 2.84Å; P8-P29 HydrophobicContact CB-CG 3.7Å; P8-W30 HydrophobicContact CB-CZ3 4.28Å; P8-W30 HydrophobicContact CG-CH2 4.25Å; P8-W30 HydrophobicContact CG-CZ3 4.33Å
9A96.2Very high78.9Confident57 Ų5777.5 Ų77.547%0.47143%0.427SS..SBendtrans-65.8-45.217700000110.7D123A9-D123 HydrophobicContact CB-CB 3.7Å
10V95.8Very high78.5Confident53 Ų5375 Ų7532%0.32142%0.42SS..SBendtrans-89.4124.7169.9-177.20000108.9P8 V24 S27P8-V10 WeakPolarHBondContact CB-O 3.46Å; V10-V24 HydrophobicContact CG1-CG1 3.65Å; V10-S27 WeakPolarHBondContact O-CA 3.43Å
11K94.7Very high78.7Confident136 Ų13674.3 Ų74.359%0.59141%0.411SS*.PPolyproline II helixtrans-79.5137.6179.7-60.1-55.3-179.6-159.60111.1P8P8-K11 PolarHBondContact O-NZ 2.84Å
12P93.6Very high81Confident14 Ų1469.6 Ų69.69%0.09139%0.389CS..PPolyproline II helixtrans-65.9148.8171.727.9-34.8000110.2L14 W28 W219P12-L14 HydrophobicContact CB-CD2 3.99Å; P12-L14 HydrophobicContact CG-CD2 3.78Å; P12-L14 HydrophobicContact CG-CG 4.44Å; P12-W28 HydrophobicContact CB-CD2 4.49Å; P12-W28 HydrophobicContact CB-CH2 4.05Å; P12-W28 HydrophobicContact CB-CZ2 3.51Å; P12-W28 HydrophobicContact CG-CH2 3.99Å; P12-W28 HydrophobicContact CG-CZ2 3.99Å; P12-W28 HydrophobicContact CG-CZ3 4.43Å; P12-W219 HydrophobicContact CG-CH2 4.4Å; P12-W219 HydrophobicContact CG-CZ2 3.62Å
13N90.5Very high83Confident75 Ų7559.3 Ų59.340%0.40135%0.351SS..PPolyproline II helixtrans-78.5123.5166.6-174.3-17.3000108.1S15 R21 V24 Q164N13-S15 PolarHBondContact OD1-N 2.79Å; N13-S15 PolarHBondContact OD1-OG 2.8Å; N13-R21 PolarHBondContact ND2-NH1 3.22Å; N13-R21 PolarHBondContact O-NH2 3.28Å; N13-R21 PolarHBondContact OD1-NH2 3.44Å; N13-V24 HydrophobicContact CB-CG2 3.71Å; N13-Q164 PolarHBondContact O-NE2 3.23Å
14L86.9Confident84.7Confident77 Ų7758.6 Ų58.640%0.40333%0.334SS..  trans-1087-174.7-56.4-175.8000113.7P12 Y145 W219P12-L14 HydrophobicContact CB-CD2 3.99Å; P12-L14 HydrophobicContact CG-CD2 3.78Å; P12-L14 HydrophobicContact CG-CG 4.44Å; L14-Y145 WeakPolarHBondContact CB-OH 3.43Å; L14-Y145 HydrophobicContact CD2-CD1 4.45Å; L14-Y145 HydrophobicContact CD2-CE1 3.8Å; L14-Y145 HydrophobicContact CD2-CE2 3.94Å; L14-Y145 PolarHBondContact O-OH 3.44Å; L14-W219 HydrophobicContact CD1-CH2 4.2Å; L14-W219 HydrophobicContact CD1-CZ2 4.1Å; L14-W219 HydrophobicContact CD2-CH2 3.7Å; L14-W219 HydrophobicContact CD2-CZ2 3.92Å
15S78.4Confident85.2Confident60 Ų6055.9 Ų55.942%0.4232%0.323SS..SBendtrans-57.4141.6172.768.80000110.4N13 I17 R21N13-S15 PolarHBondContact OD1-N 2.79Å; N13-S15 PolarHBondContact OD1-OG 2.8Å; S15-I17 WeakPolarHBondContact O-CG1 3.05Å; S15-I17 PolarHBondContact O-N 3Å; S15-R21 PolarHBondContact O-NH2 3.2Å; S15-R21 VanDerWaalsContact O-NH2 3.13Å; S15-R21 VanDerWaalsContact OG-CZ 3.32Å; S15-R21 PolarHBondContact OG-NH1 3.3Å; S15-R21 PolarHBondContact OG-NH2 3.44Å; S15-R21 VanDerWaalsContact OG-NH2 3.08Å
16R63.7Low85.2Confident182 Ų18257.5 Ų57.569%0.68733%0.327SS*.  trans-39.5124.2-179.9-178178169.9130.6-2.5111
17I58.8Low85.1Confident2 Ų257.5 Ų57.51%0.0133%0.327CS..  trans-107.8120.5-174-48.6176.5000107.4S15 R21 Y145 Q164 D166 K198S15-I17 WeakPolarHBondContact O-CG1 3.05Å; S15-I17 PolarHBondContact O-N 3Å; I17-R21 HydrophobicContact CD1-CG 4.28Å; I17-R21 HydrophobicContact CG1-CG 4.34Å; I17-R21 HydrophobicContact CG2-CB 3.91Å; I17-R21 HydrophobicContact CG2-CG 3.56Å; I17-Y145 HydrophobicContact CD1-CD1 4.31Å; I17-Y145 HydrophobicContact CD1-CE1 3.99Å; I17-Q164 HydrophobicContact CD1-CG 3.96Å; I17-D166 WeakPolarHBondContact CA-OD1 3.48Å; I17-D166 WeakPolarHBondContact CB-OD1 2.97Å; I17-D166 PolarHBondContact N-OD1 2.93Å; I17-K198 VanDerWaalsContact O-CD 3.3Å; I17-K198 WeakPolarHBondContact O-CD 3.44Å; I17-K198 WeakPolarHBondContact O-CE 3.33Å; I17-K198 PolarHBondContact O-NZ 3.37Å
18V55.2Low85.1Confident111 Ų11155.3 Ų55.367%0.67331%0.31SS*.SBendtrans-104.7129.5173.4-1770000107.3G20V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 3.35Å
19G62.8Low85.2Confident55 Ų5555.4 Ų55.457%0.56731%0.311SS*.SBendtrans74.59.2172.700000117.4G197G19-G197 VanDerWaalsContact CA-O 3.3Å; G19-G197 WeakPolarHBondContact CA-O 3.29Å; G19-G197 PolarHBondContact N-O 2.93Å
20G71.3Confident85.3Confident27 Ų2752.7 Ų52.728%0.27829%0.288SS..  trans74.1125.3-173.800000112.2V18 Q164V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 3.35Å; G20-Q164 WeakPolarHBondContact CA-O 3.44Å
21R82.8Confident85.4Confident61 Ų6150.4 Ų50.423%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-120.9165.1179.570.6178.4177.3-177.2-11.3111.2N13 S15 I17 A23 K163 Q164N13-R21 PolarHBondContact ND2-NH1 3.22Å; N13-R21 PolarHBondContact O-NH2 3.28Å; N13-R21 PolarHBondContact OD1-NH2 3.44Å; S15-R21 PolarHBondContact O-NH2 3.2Å; S15-R21 VanDerWaalsContact O-NH2 3.13Å; S15-R21 VanDerWaalsContact OG-CZ 3.32Å; S15-R21 PolarHBondContact OG-NH1 3.3Å; S15-R21 PolarHBondContact OG-NH2 3.44Å; S15-R21 VanDerWaalsContact OG-NH2 3.08Å; I17-R21 HydrophobicContact CD1-CG 4.28Å; I17-R21 HydrophobicContact CG1-CG 4.34Å; I17-R21 HydrophobicContact CG2-CB 3.91Å; I17-R21 HydrophobicContact CG2-CG 3.56Å; R21-A23 PolarHBondContact O-N 3.42Å; R21-K163 CarbonylContact O-C 3.59Å; R21-K163 VanDerWaalsContact O-CA 3.25Å; R21-K163 WeakPolarHBondContact O-CA 3.38Å; R21-Q164 HydrophobicContact CG-CG 4.1Å; R21-Q164 PolarHBondContact N-O 2.71Å; R21-Q164 PolarHBondContact O-N 2.94Å
22D89.4Confident85.5Confident79 Ų7943.9 Ų43.942%0.42225%0.246SC..EExtended strand (participates in β ladder)trans-54.1128.9166.5-75.5-15.8000110.6F80 T161 K163D22-F80 HydrophobicContact CB-CZ 4.35Å; D22-T161 PolarHBondContact OD1-OG1 2.69Å; D22-K163 WeakPolarHBondContact OD1-CD 3.26Å; D22-K163 WeakPolarHBondContact OD1-CE 3.46Å; D22-K163 IonicContact OD1-NZ 3.5Å; D22-K163 PolarHBondContact OD1-NZ 2.87Å
23A92.8Very high85.5Confident4 Ų443.2 Ų43.23%0.03324%0.242CC..PPolyproline II helixtrans-63.9155.4168.100000110.2R21 P25 F80 L162 Q164R21-A23 PolarHBondContact O-N 3.42Å; A23-P25 WeakPolarHBondContact O-CD 3.49Å; A23-F80 HydrophobicContact CB-CE2 4.48Å; A23-F80 WeakPolarHBondContact O-CE2 3.35Å; A23-L162 HydrophobicContact CB-CB 4.4Å; A23-L162 HydrophobicContact CB-CD2 4.17Å; A23-L162 HydrophobicContact CB-CG 4.24Å; A23-L162 WeakPolarHBondContact CB-O 3.3Å; A23-L162 PolarHBondContact N-O 3.15Å; A23-Q164 HydrophobicContact CB-CB 4.36Å; A23-Q164 HydrophobicContact CB-CG 4.05Å
24V94.5Very high85.7Confident49 Ų4939.7 Ų39.730%0.29722%0.223SC..PPolyproline II helixtrans-63.9128.51651770000106.8V10 N13 Y26 S27V10-V24 HydrophobicContact CG1-CG1 3.65Å; N13-V24 HydrophobicContact CB-CG2 3.71Å; V24-Y26 PolarHBondContact O-N 2.95Å; V24-S27 VanDerWaalsContact O-CB 3.3Å; V24-S27 WeakPolarHBondContact O-CB 3.45Å; V24-S27 PolarHBondContact O-N 3.29Å; V24-S27 PolarHBondContact O-OG 3.17Å
25P95Very high85.9Confident58 Ų5836.3 Ų36.338%0.37721%0.205SC..THydrogen-bonded Turntrans-50127.8-178.4-30.836.1000112A23 S27 F80A23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-S27 PolarHBondContact O-N 3.2Å; P25-F80 HydrophobicContact CB-CB 4.13Å; P25-F80 HydrophobicContact CB-CD1 4.23Å; P25-F80 HydrophobicContact CB-CD2 4.15Å; P25-F80 HydrophobicContact CB-CG 3.9Å; P25-F80 HydrophobicContact CG-CD1 4Å; P25-F80 HydrophobicContact CG-CD2 4.16Å; P25-F80 HydrophobicContact CG-CE1 4.05Å; P25-F80 HydrophobicContact CG-CE2 4.22Å; P25-F80 HydrophobicContact CG-CG 4.05Å; P25-F80 HydrophobicContact CG-CZ 4.15Å
26Y95.5Very high86.3Confident55 Ų5534.9 Ų34.922%0.21619%0.19CC..THydrogen-bonded Turntrans65.612179.5-39.6-62.6000116.2V24 W28 G78 F80 E86 K124V24-Y26 PolarHBondContact O-N 2.95Å; Y26-W28 PolarHBondContact O-N 3.13Å; Y26-G78 WeakPolarHBondContact CE1-O 3.42Å; Y26-F80 HydrophobicContact CD1-CB 4.45Å; Y26-F80 HydrophobicContact CE1-CB 4.04Å; Y26-E86 PolarHBondContact OH-OE2 3.11Å; Y26-K124 HydrophobicContact CD1-CB 4.02Å; Y26-K124 HydrophobicContact CD1-CD 3.72Å; Y26-K124 HydrophobicContact CD1-CG 3.87Å; Y26-K124 HydrophobicContact CD2-CD 4.04Å; Y26-K124 HydrophobicContact CD2-CG 4.13Å; Y26-K124 HydrophobicContact CE1-CD 3.79Å; Y26-K124 HydrophobicContact CE1-CG 4.45Å; Y26-K124 HydrophobicContact CE2-CD 4.08Å; Y26-K124 HydrophobicContact CG-CB 4.18Å; Y26-K124 HydrophobicContact CG-CD 3.85Å; Y26-K124 HydrophobicContact CG-CG 3.69Å; Y26-K124 PolarHBondContact OH-NZ 3.21Å
27S96.7Very high87.2Confident0 Ų030 Ų300%017%0.172CC..SBendtrans-74.6-12.8178.768.90000115.1V10 V24 P25 P29V10-S27 WeakPolarHBondContact O-CA 3.43Å; V24-S27 VanDerWaalsContact O-CB 3.3Å; V24-S27 WeakPolarHBondContact O-CB 3.45Å; V24-S27 PolarHBondContact O-N 3.29Å; V24-S27 PolarHBondContact O-OG 3.17Å; P25-S27 PolarHBondContact O-N 3.2Å; S27-P29 VanDerWaalsContact O-CD 3.3Å; S27-P29 WeakPolarHBondContact O-CD 3.25Å
28W97.2Very high88.1Confident5 Ų531.3 Ų31.32%0.01918%0.179CC..SBendtrans-119.265.1177.2-57.6108.9000110.2P12 Y26 W30 H31 Y145 T147 L162 V210 W219P12-W28 HydrophobicContact CB-CD2 4.49Å; P12-W28 HydrophobicContact CB-CH2 4.05Å; P12-W28 HydrophobicContact CB-CZ2 3.51Å; P12-W28 HydrophobicContact CG-CH2 3.99Å; P12-W28 HydrophobicContact CG-CZ2 3.99Å; P12-W28 HydrophobicContact CG-CZ3 4.43Å; Y26-W28 PolarHBondContact O-N 3.13Å; W28-W30 AromaticContact CE3-CE2 3.92Å; W28-W30 HydrophobicContact CE3-CH2 4.18Å; W28-W30 AromaticContact CE3-CZ2 3.38Å; W28-W30 HydrophobicContact CE3-CZ2 3.38Å; W28-W30 HydrophobicContact CZ3-CH2 4.42Å; W28-W30 AromaticContact CZ3-CZ2 3.71Å; W28-W30 HydrophobicContact CZ3-CZ2 3.71Å; W28-W30 PolarHBondContact O-N 3.49Å; W28-H31 HydrophobicContact CB-CB 4.32Å; W28-H31 WeakPolarHBondContact O-CB 3.11Å; W28-H31 PolarHBondContact O-N 2.66Å; W28-Y145 HydrophobicContact CH2-CD1 4.39Å; W28-Y145 HydrophobicContact CH2-CD2 4.47Å; W28-Y145 AromaticContact CH2-CG 3.95Å; W28-Y145 HydrophobicContact CH2-CG 3.95Å; W28-Y145 HydrophobicContact CZ2-CD1 4.21Å; W28-Y145 HydrophobicContact CZ2-CG 4.21Å; W28-T147 HydrophobicContact CB-CG2 4.32Å; W28-T147 HydrophobicContact CD2-CG2 3.66Å; W28-T147 HydrophobicContact CE3-CG2 4.4Å; W28-T147 HydrophobicContact CG-CG2 3.6Å; W28-T147 HydrophobicContact CZ2-CG2 4.29Å; W28-L162 HydrophobicContact CB-CD2 4.08Å; W28-L162 HydrophobicContact CG-CD2 4.48Å; W28-V210 HydrophobicContact CE3-CG2 4.21Å; W28-V210 HydrophobicContact CH2-CG2 4.04Å; W28-V210 HydrophobicContact CZ3-CG2 3.49Å; W28-V210 VanDerWaalsContact CZ3-CG2 3.49Å; W28-W219 HydrophobicContact CH2-CD2 4.49Å; W28-W219 HydrophobicContact CH2-CE3 4.15Å; W28-W219 AromaticContact CH2-CH2 3.68Å; W28-W219 HydrophobicContact CH2-CH2 3.68Å; W28-W219 HydrophobicContact CH2-CZ2 4.05Å; W28-W219 AromaticContact CH2-CZ3 3.73Å; W28-W219 HydrophobicContact CH2-CZ3 3.73Å; W28-W219 HydrophobicContact CZ3-CD2 4.01Å; W28-W219 AromaticContact CZ3-CE3 3.87Å; W28-W219 HydrophobicContact CZ3-CE3 3.87Å; W28-W219 HydrophobicContact CZ3-CH2 4.17Å; W28-W219 HydrophobicContact CZ3-CZ2 4.31Å; W28-W219 AromaticContact CZ3-CZ3 3.95Å; W28-W219 HydrophobicContact CZ3-CZ3 3.95Å
29P97.5Very high88.8Confident3 Ų332 Ų322%0.01918%0.177CC..THydrogen-bonded Turntrans-70.4-4.8-165.132-40.6000114.8P8 S27 K124 I125 S126P8-P29 HydrophobicContact CB-CG 3.7Å; S27-P29 VanDerWaalsContact O-CD 3.3Å; S27-P29 WeakPolarHBondContact O-CD 3.25Å; P29-K124 WeakPolarHBondContact CA-O 3.3Å; P29-K124 WeakPolarHBondContact CB-O 3.35Å; P29-I125 WeakPolarHBondContact O-CA 3.4Å; P29-S126 CarbonylContact C-O 3.41Å; P29-S126 VanDerWaalsContact C-O 3.3Å; P29-S126 WeakPolarHBondContact CG-OG 3.42Å; P29-S126 PolarHBondContact O-N 3.42Å
30W98.2Very high89.2Confident0 Ų033.9 Ų33.90%017%0.174CC..THydrogen-bonded Turntrans-91.6-18.917245.281.2000112.8P8 W28 A32 S50 L51 S126 V128 W219P8-W30 HydrophobicContact CB-CZ3 4.28Å; P8-W30 HydrophobicContact CG-CH2 4.25Å; P8-W30 HydrophobicContact CG-CZ3 4.33Å; W28-W30 AromaticContact CE3-CE2 3.92Å; W28-W30 HydrophobicContact CE3-CH2 4.18Å; W28-W30 AromaticContact CE3-CZ2 3.38Å; W28-W30 HydrophobicContact CE3-CZ2 3.38Å; W28-W30 HydrophobicContact CZ3-CH2 4.42Å; W28-W30 AromaticContact CZ3-CZ2 3.71Å; W28-W30 HydrophobicContact CZ3-CZ2 3.71Å; W28-W30 PolarHBondContact O-N 3.49Å; W30-A32 PolarHBondContact O-N 3.42Å; W30-S50 CarbonylContact O-C 3.54Å; W30-S50 VanDerWaalsContact O-CA 3.31Å; W30-S50 WeakPolarHBondContact O-CA 3.21Å; W30-L51 HydrophobicContact CB-CB 4.24Å; W30-L51 PolarHBondContact O-N 3.23Å; W30-S126 WeakPolarHBondContact CA-O 3.37Å; W30-S126 VanDerWaalsContact CB-O 3.3Å; W30-S126 WeakPolarHBondContact CB-O 3.36Å; W30-S126 PolarHBondContact N-O 2.97Å; W30-V128 HydrophobicContact CB-CB 3.89Å; W30-V128 HydrophobicContact CB-CG1 4.49Å; W30-V128 HydrophobicContact CD2-CB 3.7Å; W30-V128 HydrophobicContact CD2-CG2 3.98Å; W30-V128 HydrophobicContact CE3-CB 4.15Å; W30-V128 HydrophobicContact CE3-CG2 4.45Å; W30-V128 HydrophobicContact CG-CB 3.59Å; W30-V128 HydrophobicContact CG-CG1 4.47Å; W30-V128 HydrophobicContact CG-CG2 4.23Å; W30-V128 HydrophobicContact CZ2-CG2 4.27Å; W30-W219 HydrophobicContact CH2-CB 3.4Å; W30-W219 AromaticContact CH2-CD1 3.71Å; W30-W219 HydrophobicContact CH2-CD2 4.39Å; W30-W219 AromaticContact CH2-CG 3.54Å; W30-W219 HydrophobicContact CH2-CG 3.54Å; W30-W219 HydrophobicContact CZ2-CB 3.76Å; W30-W219 HydrophobicContact CZ2-CG 4.01Å; W30-W219 HydrophobicContact CZ3-CB 4.27Å
31H97.4Very high89.2Confident5 Ų537.5 Ų37.52%0.02319%0.186CC..EExtended strand (participates in β ladder)trans-68.4133.5-176.1-160.3102.1000109.6W28 T147 W149 L162 P208W28-H31 HydrophobicContact CB-CB 4.32Å; W28-H31 WeakPolarHBondContact O-CB 3.11Å; W28-H31 PolarHBondContact O-N 2.66Å; H31-T147 VanDerWaalsContact CE1-C 3.48Å; H31-T147 PolarHBondContact CE1-O 2.91Å; H31-T147 PolarHBondContact ND1-OG1 2.86Å; H31-W149 AromaticContact CD2-CE3 3.96Å; H31-W149 AromaticContact CD2-CH2 3.7Å; H31-W149 AromaticContact CD2-CZ3 3.23Å; H31-W149 WeakPolarHBondContact CD2-CZ3 3.41Å; H31-W149 AromaticContact NE2-CE3 3.92Å; H31-W149 AromaticContact NE2-CZ3 3.61Å; H31-L162 HydrophobicContact CB-CD2 4.48Å; H31-P208 VanDerWaalsContact CE1-CD 3.42Å; H31-P208 WeakPolarHBondContact CE1-CD 3.21Å; H31-P208 VanDerWaalsContact ND1-CD 3.26Å; H31-P208 WeakPolarHBondContact ND1-CD 3.38Å
32A97Very high89Confident0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-130.9143.7-177.900000110.9W30 G48 A49 L57 V75 Q76 L77W30-A32 PolarHBondContact O-N 3.42Å; A32-G48 CarbonylContact O-C 3.57Å; A32-G48 WeakPolarHBondContact O-CA 3.22Å; A32-A49 HydrophobicContact CB-CB 4.29Å; A32-A49 PolarHBondContact N-O 2.86Å; A32-A49 PolarHBondContact O-N 3.07Å; A32-L57 HydrophobicContact CB-CD2 3.48Å; A32-L57 VanDerWaalsContact CB-CD2 3.48Å; A32-V75 HydrophobicContact CB-CG1 3.73Å; A32-Q76 VanDerWaalsContact CA-O 3.26Å; A32-Q76 WeakPolarHBondContact CA-O 3.28Å; A32-L77 HydrophobicContact CB-CD2 3.56Å; A32-L77 HydrophobicContact CB-CG 4.09Å
33A95.1Very high88.7Confident0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-94.9130.1171.400000109.8Y35 Y45 V75 Q76 W149A33-Y35 HydrophobicContact CB-CD2 4.41Å; A33-Y35 HydrophobicContact CB-CE2 3.6Å; A33-Y45 HydrophobicContact CB-CD2 3.93Å; A33-Y45 HydrophobicContact CB-CE2 3.63Å; A33-V75 CarbonylContact O-C 3.6Å; A33-V75 WeakPolarHBondContact O-CA 3.15Å; A33-Q76 HydrophobicContact CB-CB 4.18Å; A33-Q76 PolarHBondContact N-O 3.08Å; A33-Q76 PolarHBondContact O-N 3.4Å; A33-W149 HydrophobicContact CB-CE3 3.93Å; A33-W149 HydrophobicContact CB-CH2 4.11Å; A33-W149 HydrophobicContact CB-CZ3 3.51Å
34I93.3Very high88.3Confident0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-97127.5171.5-61.2152.9000108.3L46 C47 G48 A49 S59 F64 Y73 D74 V75 L113I34-L46 HydrophobicContact CG2-CB 4.44Å; I34-L46 HydrophobicContact CG2-CD2 4.14Å; I34-L46 PolarHBondContact O-N 3.38Å; I34-C47 WeakPolarHBondContact CB-O 3.07Å; I34-C47 HydrophobicContact CD1-CB 3.97Å; I34-C47 PolarHBondContact N-O 3.26Å; I34-G48 WeakPolarHBondContact CD1-O 3.26Å; I34-A49 HydrophobicContact CD1-CB 3.78Å; I34-A49 HydrophobicContact CG1-CB 4.16Å; I34-S59 WeakPolarHBondContact CD1-OG 3.37Å; I34-F64 HydrophobicContact CD1-CE2 4.5Å; I34-F64 HydrophobicContact CD1-CZ 3.74Å; I34-F64 HydrophobicContact CG2-CE1 4.22Å; I34-F64 HydrophobicContact CG2-CZ 4.37Å; I34-Y73 HydrophobicContact CG2-CD1 4.25Å; I34-D74 CarbonylContact C-O 3.6Å; I34-D74 WeakPolarHBondContact CA-O 3.34Å; I34-V75 HydrophobicContact CG1-CG2 4.34Å; I34-L113 HydrophobicContact CD1-CD1 3.92Å; I34-L113 HydrophobicContact CG1-CD1 4.13Å
35Y90.7Very high87.9Confident7 Ų737.7 Ų37.73%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-109.4135171.7-63.6-92.4000109.9A33 P43 T44 Y45 Y73 D74 Q76 H82 A83 M89A33-Y35 HydrophobicContact CB-CD2 4.41Å; A33-Y35 HydrophobicContact CB-CE2 3.6Å; Y35-P43 HydrophobicContact CD1-CB 4.06Å; Y35-P43 HydrophobicContact CG-CB 4.27Å; Y35-T44 CarbonylContact C-O 3.39Å; Y35-T44 VanDerWaalsContact CA-O 3.23Å; Y35-T44 WeakPolarHBondContact CA-O 3.24Å; Y35-Y45 HydrophobicContact CE1-CD2 4.42Å; Y35-Y73 CarbonylContact O-C 3.54Å; Y35-Y73 VanDerWaalsContact O-CA 3.24Å; Y35-Y73 WeakPolarHBondContact O-CA 3.13Å; Y35-D74 PolarHBondContact N-O 2.88Å; Y35-D74 PolarHBondContact O-N 2.89Å; Y35-Q76 HydrophobicContact CD2-CB 4.47Å; Y35-Q76 HydrophobicContact CE2-CB 3.8Å; Y35-Q76 PolarHBondContact OH-OE1 2.67Å; Y35-H82 WeakPolarHBondContact OH-CB 3.41Å; Y35-H82 PolarHBondContact OH-ND1 3.28Å; Y35-H82 VanDerWaalsContact OH-ND1 3.13Å; Y35-A83 HydrophobicContact CE1-CB 4.36Å; Y35-A83 PolarHBondContact OH-N 3.27Å; Y35-M89 HydrophobicContact CD2-CE 3.89Å; Y35-M89 HydrophobicContact CE2-CE 4.32Å
36R87.6Confident87.5Confident30 Ų3036.8 Ų36.811%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-84.7121.8163.6-176.4172.959.2159.54.8108.1N38 P43 T44 L46 H71 Y73 E292R36-N38 PolarHBondContact O-N 3.48Å; R36-P43 WeakPolarHBondContact O-CA 3.47Å; R36-T44 PolarHBondContact N-O 2.74Å; R36-T44 PolarHBondContact O-N 2.87Å; R36-T44 PolarHBondContact O-OG1 3.31Å; R36-L46 HydrophobicContact CB-CD2 4.4Å; R36-H71 HydrophobicContact CG-CB 3.82Å; R36-Y73 HydrophobicContact CB-CD1 4.3Å; R36-Y73 HydrophobicContact CB-CE1 4.29Å; R36-Y73 HydrophobicContact CG-CE1 4.2Å; R36-E292 IonicContact CZ-OE2 2.74Å; R36-E292 IonicContact NH1-OE1 2.79Å; R36-E292 IonicContact NH1-OE2 2.69Å; R36-E292 PolarHBondContact NH1-OE2 2.85Å; R36-E292 IonicContact NH2-OE2 3.23Å; R36-E292 PolarHBondContact NH2-OE2 2.7Å
37R83.3Confident87.4Confident79 Ų7934.3 Ų34.330%0.29818%0.182SC..EExtended strand (participates in β ladder)trans-70.9112.3170.1-66.2-170.3-166.7165.5-1108.3S72 D74 D273R37-S72 WeakPolarHBondContact CB-O 3.36Å; R37-S72 PolarHBondContact N-O 3.23Å; R37-D74 WeakPolarHBondContact CG-OD2 3.47Å; R37-D74 IonicContact CZ-OD1 3.22Å; R37-D74 IonicContact CZ-OD2 3.34Å; R37-D74 VanDerWaalsContact NE-CG 3.26Å; R37-D74 IonicContact NE-OD1 2.71Å; R37-D74 PolarHBondContact NE-OD1 3.02Å; R37-D74 IonicContact NE-OD2 3.97Å; R37-D74 PolarHBondContact NE-OD2 3.24Å; R37-D74 IonicContact NH2-OD1 2.78Å; R37-D74 PolarHBondContact NH2-OD1 2.98Å; R37-D74 IonicContact NH2-OD2 2.77Å; R37-D273 IonicContact NH1-OD1 3.54Å; R37-D273 PolarHBondContact NH1-OD1 2.83Å
38N76Confident87.2Confident29 Ų2934.3 Ų34.316%0.15518%0.182CC..EExtended strand (participates in β ladder)trans-103.8127.1168.8-172.2-57.3000108.4R36 L40 L41 G42R36-N38 PolarHBondContact O-N 3.48Å; N38-L40 PolarHBondContact O-N 3.09Å; N38-L40 WeakPolarHBondContact OD1-CA 3.41Å; N38-L40 WeakPolarHBondContact OD1-CB 3.23Å; N38-L40 PolarHBondContact OD1-N 2.8Å; N38-L41 HydrophobicContact CB-CB 4.3Å; N38-L41 PolarHBondContact OD1-N 2.97Å; N38-L41 VanDerWaalsContact OD1-N 3.12Å; N38-G42 WeakPolarHBondContact CB-O 3.47Å; N38-G42 PolarHBondContact N-O 2.95Å; N38-G42 WeakPolarHBondContact O-CA 3.36Å; N38-G42 PolarHBondContact O-N 2.93Å; N38-G42 VanDerWaalsContact O-N 3.11Å
39I70.2Confident87.2Confident127 Ų12734.1 Ų34.165%0.65118%0.181SC*.THydrogen-bonded Turntrans-61.1-33.3-178.3-60.6175.3000111Q276I39-Q276 HydrophobicContact CD1-CB 4.32Å
40L71Confident87.3Confident94 Ų9434 Ų3449%0.49218%0.18SC..THydrogen-bonded Turntrans-94.8-33.2-170.6-61.8172.2000113.5N38N38-L40 PolarHBondContact O-N 3.09Å; N38-L40 WeakPolarHBondContact OD1-CA 3.41Å; N38-L40 WeakPolarHBondContact OD1-CB 3.23Å; N38-L40 PolarHBondContact OD1-N 2.8Å
41L71.8Confident87.3Confident103 Ų10334 Ų3454%0.53918%0.18SC..THydrogen-bonded Turntrans-111.4-2-171.4-62.3175.5000113.6N38N38-L41 HydrophobicContact CB-CB 4.3Å; N38-L41 PolarHBondContact OD1-N 2.97Å; N38-L41 VanDerWaalsContact OD1-N 3.12Å
42G78.8Confident87.3Confident29 Ų2934 Ų3430%0.29918%0.181SC..EExtended strand (participates in β ladder)trans76.3-174.2-169.200000112.4N38 T44N38-G42 WeakPolarHBondContact CB-O 3.47Å; N38-G42 PolarHBondContact N-O 2.95Å; N38-G42 WeakPolarHBondContact O-CA 3.36Å; N38-G42 PolarHBondContact O-N 2.93Å; N38-G42 VanDerWaalsContact O-N 3.11Å; G42-T44 PolarHBondContact O-N 2.77Å
43P83.4Confident87.3Confident84 Ų8435 Ų3555%0.54519%0.186SC..EExtended strand (participates in β ladder)trans-63.2126.8178.1-20.132.8000111.2Y35 R36Y35-P43 HydrophobicContact CD1-CB 4.06Å; Y35-P43 HydrophobicContact CG-CB 4.27Å; R36-P43 WeakPolarHBondContact O-CA 3.47Å
44T84.7Confident87.3Confident39 Ų3936.3 Ų36.324%0.23919%0.193CC..EExtended strand (participates in β ladder)trans-109.8131.7176.648.60000109.2Y35 R36 G42 L46Y35-T44 CarbonylContact C-O 3.39Å; Y35-T44 VanDerWaalsContact CA-O 3.23Å; Y35-T44 WeakPolarHBondContact CA-O 3.24Å; R36-T44 PolarHBondContact N-O 2.74Å; R36-T44 PolarHBondContact O-N 2.87Å; R36-T44 PolarHBondContact O-OG1 3.31Å; G42-T44 PolarHBondContact O-N 2.77Å; T44-L46 PolarHBondContact O-N 3.28Å
45Y86.7Confident87.5Confident44 Ų4438 Ų3817%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-63.3132.1174.9178.7-105.2000109.3A33 Y35 C47 G48 W149 A158 G203A33-Y45 HydrophobicContact CB-CD2 3.93Å; A33-Y45 HydrophobicContact CB-CE2 3.63Å; Y35-Y45 HydrophobicContact CE1-CD2 4.42Å; Y45-C47 WeakPolarHBondContact CE2-O 3.45Å; Y45-G48 PolarHBondContact OH-N 3.21Å; Y45-W149 HydrophobicContact CE1-CB 4.46Å; Y45-W149 HydrophobicContact CE2-CE3 4.07Å; Y45-A158 HydrophobicContact CD1-CB 4.18Å; Y45-G203 VanDerWaalsContact CE1-O 3.23Å; Y45-G203 WeakPolarHBondContact CE1-O 3.3Å; Y45-G203 PolarHBondContact OH-O 3.23Å
46L86.4Confident87.9Confident39 Ų3939 Ų3920%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-115.2-58.6-174179.165.4000111.3I34 R36 T44 C63 L67 Y73I34-L46 HydrophobicContact CG2-CB 4.44Å; I34-L46 HydrophobicContact CG2-CD2 4.14Å; I34-L46 PolarHBondContact O-N 3.38Å; R36-L46 HydrophobicContact CB-CD2 4.4Å; T44-L46 PolarHBondContact O-N 3.28Å; L46-C63 WeakPolarHBondContact CD2-O 3.4Å; L46-L67 HydrophobicContact CD1-CD1 4.47Å; L46-Y73 HydrophobicContact CD2-CD1 3.96Å; L46-Y73 HydrophobicContact CD2-CE1 3.67Å
47C91.6Very high88.4Confident4 Ų437.5 Ų37.53%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-153.6164.9-171.5-81.30000111.1I34 Y45 C63 S205I34-C47 WeakPolarHBondContact CB-O 3.07Å; I34-C47 HydrophobicContact CD1-CB 3.97Å; I34-C47 PolarHBondContact N-O 3.26Å; Y45-C47 WeakPolarHBondContact CE2-O 3.45Å; C47-C63 HydrophobicContact CB-CB 3.84Å; C47-C63 WeakPolarHBondContact CB-SG 3.43Å; C47-C63 WeakPolarHBondContact SG-CB 3.33Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.49Å; C47-S205 CarbonylContact C-O 3.48Å; C47-S205 WeakPolarHBondContact CA-O 3.12Å; C47-S205 WeakPolarHBondContact CB-O 3.42Å; C47-S205 WeakPolarHBondContact SG-CB 3.42Å
48G94.1Very high89.1Confident0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-83.4165.4161.700000113.1A32 I34 Y45 S59 S205 G206A32-G48 CarbonylContact O-C 3.57Å; A32-G48 WeakPolarHBondContact O-CA 3.22Å; I34-G48 WeakPolarHBondContact CD1-O 3.26Å; Y45-G48 PolarHBondContact OH-N 3.21Å; G48-S59 PolarHBondContact O-OG 3.13Å; G48-S205 PolarHBondContact N-O 3.29Å; G48-G206 CarbonylContact O-C 3.51Å; G48-G206 WeakPolarHBondContact O-CA 3.11Å
49A97.4Very high90.1Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-153.4171.2169.800000110.6A32 I34 L57 L58A32-A49 HydrophobicContact CB-CB 4.29Å; A32-A49 PolarHBondContact N-O 2.86Å; A32-A49 PolarHBondContact O-N 3.07Å; I34-A49 HydrophobicContact CD1-CB 3.78Å; I34-A49 HydrophobicContact CG1-CB 4.16Å; A49-L57 HydrophobicContact CB-CB 4.27Å; A49-L57 HydrophobicContact CB-CD2 3.96Å; A49-L58 CarbonylContact C-O 3.6Å; A49-L58 VanDerWaalsContact CA-O 3.27Å; A49-L58 WeakPolarHBondContact CA-O 3.45Å; A49-L58 WeakPolarHBondContact CB-O 3.3Å
50S98.5Very high91.3Very high0 Ų026.3 Ų26.30%015%0.147CC..EExtended strand (participates in β ladder)trans-123.713717363.70000112.3W30 L57 L58 Q221W30-S50 CarbonylContact O-C 3.54Å; W30-S50 VanDerWaalsContact O-CA 3.31Å; W30-S50 WeakPolarHBondContact O-CA 3.21Å; S50-L57 CarbonylContact O-C 3.58Å; S50-L57 WeakPolarHBondContact O-CA 3.23Å; S50-L57 WeakPolarHBondContact O-CB 3.26Å; S50-L58 PolarHBondContact N-O 2.88Å; S50-L58 PolarHBondContact O-N 2.76Å; S50-Q221 PolarHBondContact OG-OE1 3.07Å
51L98.4Very high92.4Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-73.7125.5175.2-167.968.8000110.6W30 N53 L57 L77 V119 M121 I125 P127 V128W30-L51 HydrophobicContact CB-CB 4.24Å; W30-L51 PolarHBondContact O-N 3.23Å; L51-N53 WeakPolarHBondContact CD1-O 3.41Å; L51-N53 WeakPolarHBondContact CG-O 2.9Å; L51-L57 HydrophobicContact CD1-CD1 4.47Å; L51-L57 HydrophobicContact CD1-CG 4.07Å; L51-L77 HydrophobicContact CB-CD2 4.08Å; L51-L77 HydrophobicContact CD1-CD1 3.98Å; L51-L77 HydrophobicContact CD1-CD2 4.09Å; L51-L77 HydrophobicContact CD2-CD2 4.27Å; L51-L77 HydrophobicContact CG-CD2 4.38Å; L51-V119 HydrophobicContact CD1-CG1 4.23Å; L51-V119 HydrophobicContact CD2-CG1 4.13Å; L51-M121 HydrophobicContact CD2-CE 4.01Å; L51-M121 HydrophobicContact CD2-SD 4.11Å; L51-I125 HydrophobicContact CD2-CG2 3.64Å; L51-P127 CarbonylContact O-C 3.52Å; L51-P127 WeakPolarHBondContact O-CA 3.16Å; L51-P127 WeakPolarHBondContact O-CB 3.18Å; L51-V128 PolarHBondContact O-N 3.47Å
52L97.8Very high93.2Very high6 Ų618.2 Ų18.23%0.03110%0.103CC..  trans-97.3-32.7177.3-59.5-174.6000112.8W56 L58 L112 P127 V128 L130 I250 V254L52-W56 HydrophobicContact CB-CB 4.43Å; L52-W56 WeakPolarHBondContact CB-O 3.49Å; L52-W56 PolarHBondContact N-O 2.81Å; L52-L58 HydrophobicContact CD1-CB 4.07Å; L52-L58 HydrophobicContact CD2-CB 3.96Å; L52-L58 HydrophobicContact CD2-CD2 4.47Å; L52-L58 HydrophobicContact CG-CB 4.08Å; L52-L112 HydrophobicContact CD1-CD2 3.62Å; L52-P127 VanDerWaalsContact C-CB 3.47Å; L52-P127 VanDerWaalsContact O-CB 3.3Å; L52-P127 WeakPolarHBondContact O-CB 2.95Å; L52-V128 HydrophobicContact CD2-CG1 4.39Å; L52-L130 HydrophobicContact CD2-CD1 4.22Å; L52-L130 HydrophobicContact CD2-CD2 3.8Å; L52-L130 HydrophobicContact CD2-CG 4.14Å; L52-I250 HydrophobicContact CD1-CG2 3.76Å; L52-V254 HydrophobicContact CD1-CG2 4.19Å
53N96.3Very high93.8Very high21 Ų2117 Ų1711%0.1129%0.09CC..SBendtrans-161.2-160.3175.76239.6000110.1L51 Q55 W56 M121 V254L51-N53 WeakPolarHBondContact CD1-O 3.41Å; L51-N53 WeakPolarHBondContact CG-O 2.9Å; N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 PolarHBondContact OD1-N 2.77Å; N53-W56 WeakPolarHBondContact OD1-CB 3.17Å; N53-W56 PolarHBondContact OD1-N 2.88Å; N53-M121 WeakPolarHBondContact O-CE 3.25Å; N53-V254 WeakPolarHBondContact ND2-CG1 3.39Å
54D96.5Very high94Very high28 Ų2813 Ų1315%0.156%0.064CC..SBendtrans-71.1-3.3-177.664.3-8.3000115.2K118 V119 M121D54-K118 HydrophobicContact CB-CB 4.4Å; D54-K118 CarbonylContact O-C 3.58Å; D54-K118 WeakPolarHBondContact O-CA 3.38Å; D54-K118 IonicContact OD1-NZ 3.83Å; D54-K118 VanDerWaalsContact OD2-CD 3.29Å; D54-K118 WeakPolarHBondContact OD2-CD 3.38Å; D54-K118 WeakPolarHBondContact OD2-CE 3.33Å; D54-K118 IonicContact OD2-NZ 2.91Å; D54-K118 PolarHBondContact OD2-NZ 3.43Å; D54-V119 PolarHBondContact O-N 3.32Å; D54-M121 HydrophobicContact CB-CE 3.79Å; D54-M121 VanDerWaalsContact N-CE 3.27Å
55Q97.2Very high93.8Very high36 Ų3614.6 Ų14.617%0.1687%0.068CC..SBendtrans-146.4-8.4-176.9-158.3173.2-16.100114.9N53 K114 L115 K118N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 PolarHBondContact OD1-N 2.77Å; Q55-K114 HydrophobicContact CG-CG 4.45Å; Q55-L115 HydrophobicContact CG-CB 4.15Å; Q55-L115 WeakPolarHBondContact CG-O 3.37Å; Q55-L115 PolarHBondContact NE2-O 3.36Å; Q55-L115 PolarHBondContact O-N 2.91Å; Q55-K118 HydrophobicContact CB-CG 4.22Å; Q55-K118 HydrophobicContact CG-CG 4.4Å
56W97.8Very high93Very high26 Ų2615.5 Ų15.510%0.0989%0.091CC..EExtended strand (participates in β ladder)trans-121137.9-172.9-69.387.7000112.2L52 N53 Y96 L112 L113 K114 T253 V254L52-W56 HydrophobicContact CB-CB 4.43Å; L52-W56 WeakPolarHBondContact CB-O 3.49Å; L52-W56 PolarHBondContact N-O 2.81Å; N53-W56 WeakPolarHBondContact OD1-CB 3.17Å; N53-W56 PolarHBondContact OD1-N 2.88Å; W56-Y96 HydrophobicContact CH2-CD2 4.04Å; W56-Y96 AromaticContact CH2-CE2 3.55Å; W56-Y96 HydrophobicContact CH2-CE2 3.55Å; W56-Y96 AromaticContact CZ3-CD2 3.71Å; W56-Y96 HydrophobicContact CZ3-CD2 3.71Å; W56-Y96 AromaticContact CZ3-CE2 3.68Å; W56-Y96 HydrophobicContact CZ3-CE2 3.68Å; W56-L112 HydrophobicContact CE3-CB 4.21Å; W56-L112 HydrophobicContact CZ3-CB 4.2Å; W56-L113 CarbonylContact C-O 3.59Å; W56-L113 VanDerWaalsContact CA-O 3.32Å; W56-L113 WeakPolarHBondContact CA-O 3.37Å; W56-K114 HydrophobicContact CD2-CB 4.26Å; W56-K114 HydrophobicContact CD2-CG 4.28Å; W56-K114 HydrophobicContact CE3-CB 3.97Å; W56-K114 HydrophobicContact CE3-CG 4.47Å; W56-K114 HydrophobicContact CH2-CB 3.83Å; W56-K114 HydrophobicContact CH2-CD 3.94Å; W56-K114 HydrophobicContact CH2-CG 4.05Å; W56-K114 HydrophobicContact CZ2-CB 4.1Å; W56-K114 HydrophobicContact CZ2-CD 3.69Å; W56-K114 HydrophobicContact CZ2-CG 3.81Å; W56-K114 HydrophobicContact CZ3-CB 3.75Å; W56-K114 HydrophobicContact CZ3-CG 4.36Å; W56-T253 HydrophobicContact CH2-CG2 4.06Å; W56-T253 HydrophobicContact CZ3-CG2 4.03Å; W56-V254 HydrophobicContact CB-CG1 3.98Å; W56-V254 HydrophobicContact CB-CG2 4.22Å; W56-V254 HydrophobicContact CD2-CG1 4.33Å; W56-V254 HydrophobicContact CD2-CG2 4.02Å; W56-V254 HydrophobicContact CE3-CG2 4.07Å; W56-V254 HydrophobicContact CG-CB 4.43Å; W56-V254 HydrophobicContact CG-CG1 3.78Å; W56-V254 HydrophobicContact CG-CG2 4.12Å
57L98.5Very high91.8Very high0 Ų015.4 Ų15.40%09%0.09CC..EExtended strand (participates in β ladder)trans-123.1157.9172.7-58.594.2000111.9A32 A49 S50 L51 V75 L77 L112 L113 L115A32-L57 HydrophobicContact CB-CD2 3.48Å; A32-L57 VanDerWaalsContact CB-CD2 3.48Å; A49-L57 HydrophobicContact CB-CB 4.27Å; A49-L57 HydrophobicContact CB-CD2 3.96Å; S50-L57 CarbonylContact O-C 3.58Å; S50-L57 WeakPolarHBondContact O-CA 3.23Å; S50-L57 WeakPolarHBondContact O-CB 3.26Å; L51-L57 HydrophobicContact CD1-CD1 4.47Å; L51-L57 HydrophobicContact CD1-CG 4.07Å; L57-V75 HydrophobicContact CD1-CG1 4.31Å; L57-V75 HydrophobicContact CD2-CG1 3.6Å; L57-L77 HydrophobicContact CD2-CD2 4.32Å; L57-L112 CarbonylContact O-C 3.51Å; L57-L112 WeakPolarHBondContact O-CA 3.49Å; L57-L113 HydrophobicContact CB-CB 4.22Å; L57-L113 HydrophobicContact CB-CD1 4.47Å; L57-L113 HydrophobicContact CD1-CB 4.44Å; L57-L113 PolarHBondContact N-O 2.67Å; L57-L113 PolarHBondContact O-N 3.31Å; L57-L115 HydrophobicContact CD1-CD1 3.82Å; L57-L115 HydrophobicContact CD1-CD2 3.54Å; L57-L115 HydrophobicContact CD1-CG 3.52Å
58L98.4Very high90.1Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-113.5134.7171.4-177.564000109.6A49 S50 L52 L112 L130 I224 V243 I250A49-L58 CarbonylContact C-O 3.6Å; A49-L58 VanDerWaalsContact CA-O 3.27Å; A49-L58 WeakPolarHBondContact CA-O 3.45Å; A49-L58 WeakPolarHBondContact CB-O 3.3Å; S50-L58 PolarHBondContact N-O 2.88Å; S50-L58 PolarHBondContact O-N 2.76Å; L52-L58 HydrophobicContact CD1-CB 4.07Å; L52-L58 HydrophobicContact CD2-CB 3.96Å; L52-L58 HydrophobicContact CD2-CD2 4.47Å; L52-L58 HydrophobicContact CG-CB 4.08Å; L58-L112 HydrophobicContact CB-CD2 4.48Å; L58-L112 HydrophobicContact CD1-CD2 3.92Å; L58-L130 HydrophobicContact CD2-CD2 4.34Å; L58-I224 HydrophobicContact CD1-CD1 3.75Å; L58-I224 HydrophobicContact CD2-CD1 3.87Å; L58-I224 HydrophobicContact CD2-CG1 4.09Å; L58-I224 HydrophobicContact CG-CD1 3.68Å; L58-I224 HydrophobicContact CG-CG1 4.15Å; L58-V243 HydrophobicContact CD2-CG1 4.25Å; L58-V243 HydrophobicContact CD2-CG2 4.13Å; L58-I250 HydrophobicContact CD1-CD1 4.17Å; L58-I250 HydrophobicContact CD2-CD1 4.1Å
59S97.2Very high88.1Confident0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-149.1-174.9177.1-1700000109.7I34 G48 A110 A111I34-S59 WeakPolarHBondContact CD1-OG 3.37Å; G48-S59 PolarHBondContact O-OG 3.13Å; S59-A110 WeakPolarHBondContact O-CA 3.43Å; S59-A111 PolarHBondContact N-O 2.89Å; S59-A111 PolarHBondContact O-N 2.71Å
60A95.3Very high86.4Confident0 Ų033 Ų330%017%0.174CC..  trans-80.4150.7174.800000110.6H62 F64 I224A60-H62 VanDerWaalsContact CB-CE1 3.48Å; A60-H62 WeakPolarHBondContact CB-CE1 3.29Å; A60-H62 WeakPolarHBondContact CB-ND1 3.1Å; A60-F64 VanDerWaalsContact O-CD2 3.3Å; A60-F64 WeakPolarHBondContact O-CD2 3.36Å; A60-F64 WeakPolarHBondContact O-CE2 3.29Å; A60-I224 HydrophobicContact CB-CG2 4.1Å
61G93.3Very high85.2Confident0 Ų034.2 Ų34.20%018%0.179CC..SBendtrans-68.8-41.1172.300000112.1C63 F64 F65 F97 D109G61-C63 PolarHBondContact O-N 3.31Å; G61-C63 VanDerWaalsContact O-N 3.15Å; G61-F64 PolarHBondContact O-N 2.79Å; G61-F65 PolarHBondContact O-N 2.88Å; G61-F97 WeakPolarHBondContact O-CE1 3.23Å; G61-D109 VanDerWaalsContact CA-OD1 3.24Å; G61-D109 WeakPolarHBondContact CA-OD1 3.31Å; G61-D109 PolarHBondContact N-OD1 3.47Å
62H89.9Confident84.6Confident26 Ų2634.9 Ų34.912%0.1218%0.184CC..G310 helixtrans-58.9-30.3-177.577.1-103.5000112.7A60 F64 F65 Y101 L106 D109 S205 S226A60-H62 VanDerWaalsContact CB-CE1 3.48Å; A60-H62 WeakPolarHBondContact CB-CE1 3.29Å; A60-H62 WeakPolarHBondContact CB-ND1 3.1Å; H62-F64 PolarHBondContact O-N 3.15Å; H62-F65 PolarHBondContact O-N 2.86Å; H62-Y101 WeakPolarHBondContact CA-OH 3.42Å; H62-Y101 PolarHBondContact N-OH 2.81Å; H62-L106 HydrophobicContact CB-CD2 4.25Å; H62-D109 IonicContact CE1-OD2 4Å; H62-D109 IonicContact CG-OD1 3.55Å; H62-D109 IonicContact CG-OD2 3.89Å; H62-D109 PolarHBondContact N-OD1 2.85Å; H62-D109 IonicContact ND1-OD1 2.78Å; H62-D109 IonicContact ND1-OD2 2.89Å; H62-D109 PolarHBondContact ND1-OD2 3Å; H62-S205 PolarHBondContact CE1-OG 3.23Å; H62-S205 WeakPolarHBondContact NE2-CB 3.47Å; H62-S205 PolarHBondContact NE2-OG 3.32Å; H62-S226 PolarHBondContact CE1-O 3.13Å
63C89.7Confident84.3Confident4 Ų434.8 Ų34.83%0.02718%0.183CC..G310 helixtrans-54.3-26.2174.2-66.50000113.1L46 C47 G61L46-C63 WeakPolarHBondContact CD2-O 3.4Å; C47-C63 HydrophobicContact CB-CB 3.84Å; C47-C63 WeakPolarHBondContact CB-SG 3.43Å; C47-C63 WeakPolarHBondContact SG-CB 3.33Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.49Å; G61-C63 PolarHBondContact O-N 3.31Å; G61-C63 VanDerWaalsContact O-N 3.15Å
64F88.4Confident84.2Confident0 Ų034.7 Ų34.70%018%0.183CC..G310 helixtrans-118.2-6.5-175.5-52-79.9000113.1I34 A60 G61 H62 M68 Y73 V95 F97 A111 L113I34-F64 HydrophobicContact CD1-CE2 4.5Å; I34-F64 HydrophobicContact CD1-CZ 3.74Å; I34-F64 HydrophobicContact CG2-CE1 4.22Å; I34-F64 HydrophobicContact CG2-CZ 4.37Å; A60-F64 VanDerWaalsContact O-CD2 3.3Å; A60-F64 WeakPolarHBondContact O-CD2 3.36Å; A60-F64 WeakPolarHBondContact O-CE2 3.29Å; G61-F64 PolarHBondContact O-N 2.79Å; H62-F64 PolarHBondContact O-N 3.15Å; F64-M68 WeakPolarHBondContact O-CG 3.33Å; F64-Y73 HydrophobicContact CD1-CD1 4.41Å; F64-Y73 HydrophobicContact CD1-CD2 4.17Å; F64-Y73 HydrophobicContact CD1-CE1 4.09Å; F64-Y73 AromaticContact CD1-CE2 3.84Å; F64-Y73 HydrophobicContact CD1-CE2 3.84Å; F64-Y73 HydrophobicContact CD1-CG 4.45Å; F64-Y73 AromaticContact CD1-CZ 3.8Å; F64-Y73 HydrophobicContact CE1-CD1 4.21Å; F64-Y73 HydrophobicContact CE1-CD2 4.23Å; F64-Y73 HydrophobicContact CE1-CE1 4.32Å; F64-Y73 HydrophobicContact CE1-CE2 4.35Å; F64-Y73 HydrophobicContact CE1-CG 4.18Å; F64-V95 HydrophobicContact CB-CG1 4.08Å; F64-V95 HydrophobicContact CD1-CG1 4.3Å; F64-V95 HydrophobicContact CD1-CG2 4.17Å; F64-V95 HydrophobicContact CD2-CG1 3.99Å; F64-V95 HydrophobicContact CE1-CG2 4.5Å; F64-V95 HydrophobicContact CG-CG1 3.84Å; F64-F97 HydrophobicContact CB-CE1 4.28Å; F64-F97 HydrophobicContact CB-CE2 4.26Å; F64-F97 HydrophobicContact CB-CZ 3.57Å; F64-A111 HydrophobicContact CD2-CB 3.95Å; F64-A111 HydrophobicContact CE2-CB 4.18Å; F64-L113 HydrophobicContact CD2-CD2 4.41Å; F64-L113 HydrophobicContact CE1-CD1 4.43Å; F64-L113 HydrophobicContact CE1-CD2 3.91Å; F64-L113 HydrophobicContact CE2-CD1 4.41Å; F64-L113 HydrophobicContact CE2-CD2 3.75Å; F64-L113 HydrophobicContact CE2-CG 4.49Å; F64-L113 HydrophobicContact CZ-CD1 3.7Å; F64-L113 HydrophobicContact CZ-CD2 3.46Å; F64-L113 VanDerWaalsContact CZ-CD2 3.46Å; F64-L113 HydrophobicContact CZ-CG 4.13Å
65F81Confident84.1Confident72 Ų7233.3 Ų33.332%0.31618%0.175SC..SBendtrans-76.4147.8-178.8-166.7-99000110.7G61 H62 L67 M68 F97 Y101 P103G61-F65 PolarHBondContact O-N 2.88Å; H62-F65 PolarHBondContact O-N 2.86Å; F65-L67 PolarHBondContact O-N 3.3Å; F65-M68 HydrophobicContact CD2-SD 4.38Å; F65-F97 HydrophobicContact CB-CE1 4.27Å; F65-F97 HydrophobicContact CD2-CE1 4.38Å; F65-Y101 HydrophobicContact CB-CE1 4.09Å; F65-Y101 HydrophobicContact CD2-CD1 4.43Å; F65-Y101 AromaticContact CD2-CE1 3.71Å; F65-Y101 HydrophobicContact CD2-CE1 3.71Å; F65-Y101 HydrophobicContact CE2-CE1 4.41Å; F65-Y101 AromaticContact CG-CE1 3.96Å; F65-Y101 HydrophobicContact CG-CE1 3.96Å; F65-P103 HydrophobicContact CD1-CB 3.66Å; F65-P103 HydrophobicContact CD2-CB 4.24Å; F65-P103 HydrophobicContact CE1-CB 3.33Å; F65-P103 HydrophobicContact CE1-CG 3.79Å; F65-P103 HydrophobicContact CE2-CB 3.94Å; F65-P103 HydrophobicContact CE2-CG 3.92Å; F65-P103 HydrophobicContact CG-CB 4.11Å; F65-P103 HydrophobicContact CZ-CB 3.49Å; F65-P103 VanDerWaalsContact CZ-CB 3.49Å; F65-P103 HydrophobicContact CZ-CG 3.44Å; F65-P103 VanDerWaalsContact CZ-CG 3.44Å
66G70.3Confident84.1Confident63 Ų6331.8 Ų31.865%0.64917%0.168SC*.SBendtrans75-27.2179.900000115.8M68G66-M68 VanDerWaalsContact C-N 3.26Å; G66-M68 PolarHBondContact O-N 3.29Å
67L60.6Low84.1Confident37 Ų3730.5 Ų30.519%0.19416%0.163CC..  trans-88.513180-62.3175.8000114L46 F65 K69L46-L67 HydrophobicContact CD1-CD1 4.47Å; F65-L67 PolarHBondContact O-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å
68M54.9Low83.9Confident69 Ų6930.8 Ų30.834%0.3417%0.166SC..THydrogen-bonded Turntrans-77.391.5-160.8-58.7177.918.300112.6F64 F65 G66 L265 I267F64-M68 WeakPolarHBondContact O-CG 3.33Å; F65-M68 HydrophobicContact CD2-SD 4.38Å; G66-M68 VanDerWaalsContact C-N 3.26Å; G66-M68 PolarHBondContact O-N 3.29Å; M68-L265 HydrophobicContact CE-CD1 4.15Å; M68-L265 HydrophobicContact CE-CD2 3.23Å; M68-L265 HydrophobicContact CE-CG 4.27Å; M68-L265 HydrophobicContact SD-CD2 3.38Å; M68-L265 WeakPolarHBondContact SD-CD2 3.12Å; M68-I267 HydrophobicContact CB-CD1 4.14Å; M68-I267 HydrophobicContact CG-CD1 3.68Å; M68-I267 HydrophobicContact SD-CD1 4.29Å
69K52.9Low83.7Confident178 Ų17831.2 Ų31.277%0.77417%0.17SC*.THydrogen-bonded Turntrans147.6-11.4151.2-82.7171.7-175-175.10113.5L67L67-K69 PolarHBondContact O-N 3.23Å
70L60.7Low83.5Confident127 Ų12732 Ų3267%0.66517%0.173SC*.THydrogen-bonded Turntrans-99.4-12.5-171.5-64.6176.4000114.7
71H73.2Confident83.4Confident25 Ų2536.8 Ų36.812%0.11619%0.191CC..  trans-125.2141.5-168.9-57.199000112.4R36R36-H71 HydrophobicContact CG-CB 3.82Å
72S86.6Confident82.8Confident14 Ų1437.9 Ų37.910%0.09820%0.196CC..  trans-93.1152.4161.7-70.60000109.7R37 I272R37-S72 WeakPolarHBondContact CB-O 3.36Å; R37-S72 PolarHBondContact N-O 3.23Å; S72-I272 WeakPolarHBondContact OG-CG2 3.42Å
73Y91.9Very high82.4Confident4 Ų440.1 Ų40.12%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-117.6139.6177.5-53.5-79.5000111I34 Y35 R36 L46 F64 A91 V92 L269I34-Y73 HydrophobicContact CG2-CD1 4.25Å; Y35-Y73 CarbonylContact O-C 3.54Å; Y35-Y73 VanDerWaalsContact O-CA 3.24Å; Y35-Y73 WeakPolarHBondContact O-CA 3.13Å; R36-Y73 HydrophobicContact CB-CD1 4.3Å; R36-Y73 HydrophobicContact CB-CE1 4.29Å; R36-Y73 HydrophobicContact CG-CE1 4.2Å; L46-Y73 HydrophobicContact CD2-CD1 3.96Å; L46-Y73 HydrophobicContact CD2-CE1 3.67Å; F64-Y73 HydrophobicContact CD1-CD1 4.41Å; F64-Y73 HydrophobicContact CD1-CD2 4.17Å; F64-Y73 HydrophobicContact CD1-CE1 4.09Å; F64-Y73 AromaticContact CD1-CE2 3.84Å; F64-Y73 HydrophobicContact CD1-CE2 3.84Å; F64-Y73 HydrophobicContact CD1-CG 4.45Å; F64-Y73 AromaticContact CD1-CZ 3.8Å; F64-Y73 HydrophobicContact CE1-CD1 4.21Å; F64-Y73 HydrophobicContact CE1-CD2 4.23Å; F64-Y73 HydrophobicContact CE1-CE1 4.32Å; F64-Y73 HydrophobicContact CE1-CE2 4.35Å; F64-Y73 HydrophobicContact CE1-CG 4.18Å; Y73-A91 WeakPolarHBondContact O-CA 3.48Å; Y73-V92 PolarHBondContact O-N 2.98Å; Y73-L269 HydrophobicContact CD2-CD1 3.63Å; Y73-L269 HydrophobicContact CE2-CD1 4.15Å
74D93.2Very high82.2Confident19 Ų1942.8 Ų42.810%0.10223%0.233CC..EExtended strand (participates in β ladder)trans-111.5146.3167.8-70.2-44.8000110.1I34 Y35 R37 M89 A91I34-D74 CarbonylContact C-O 3.6Å; I34-D74 WeakPolarHBondContact CA-O 3.34Å; Y35-D74 PolarHBondContact N-O 2.88Å; Y35-D74 PolarHBondContact O-N 2.89Å; R37-D74 WeakPolarHBondContact CG-OD2 3.47Å; R37-D74 IonicContact CZ-OD1 3.22Å; R37-D74 IonicContact CZ-OD2 3.34Å; R37-D74 VanDerWaalsContact NE-CG 3.26Å; R37-D74 IonicContact NE-OD1 2.71Å; R37-D74 PolarHBondContact NE-OD1 3.02Å; R37-D74 IonicContact NE-OD2 3.97Å; R37-D74 PolarHBondContact NE-OD2 3.24Å; R37-D74 IonicContact NH2-OD1 2.78Å; R37-D74 PolarHBondContact NH2-OD1 2.98Å; R37-D74 IonicContact NH2-OD2 2.77Å; D74-M89 HydrophobicContact CB-CE 3.59Å; D74-A91 WeakPolarHBondContact OD1-CA 3.2Å
75V95.7Very high82Confident0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-115.4126.8175.7176.70000108.6A32 A33 I34 L57 L77 M89 I90 V92 L113 L115A32-V75 HydrophobicContact CB-CG1 3.73Å; A33-V75 CarbonylContact O-C 3.6Å; A33-V75 WeakPolarHBondContact O-CA 3.15Å; I34-V75 HydrophobicContact CG1-CG2 4.34Å; L57-V75 HydrophobicContact CD1-CG1 4.31Å; L57-V75 HydrophobicContact CD2-CG1 3.6Å; V75-L77 HydrophobicContact CG1-CD1 4.29Å; V75-L77 HydrophobicContact CG1-CG 4.05Å; V75-M89 CarbonylContact O-C 3.48Å; V75-M89 WeakPolarHBondContact O-CA 3.37Å; V75-I90 PolarHBondContact N-O 3.17Å; V75-I90 PolarHBondContact O-N 3.25Å; V75-V92 HydrophobicContact CG2-CG2 3.65Å; V75-L113 HydrophobicContact CG2-CD1 4.47Å; V75-L115 HydrophobicContact CB-CD2 3.98Å; V75-L115 HydrophobicContact CG1-CD2 4.49Å; V75-L115 HydrophobicContact CG2-CD2 3.94Å
76Q96.3Very high82.2Confident3 Ų351.6 Ų51.61%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-96.8122169.6-166.1172.319.500109.8A32 A33 Y35 A79 D84 E86 E88 M89A32-Q76 VanDerWaalsContact CA-O 3.26Å; A32-Q76 WeakPolarHBondContact CA-O 3.28Å; A33-Q76 HydrophobicContact CB-CB 4.18Å; A33-Q76 PolarHBondContact N-O 3.08Å; A33-Q76 PolarHBondContact O-N 3.4Å; Y35-Q76 HydrophobicContact CD2-CB 4.47Å; Y35-Q76 HydrophobicContact CE2-CB 3.8Å; Y35-Q76 PolarHBondContact OH-OE1 2.67Å; Q76-A79 HydrophobicContact CG-CB 3.81Å; Q76-D84 PolarHBondContact NE2-O 2.95Å; Q76-E86 PolarHBondContact NE2-O 3.32Å; Q76-E88 WeakPolarHBondContact CA-O 3.2Å; Q76-M89 HydrophobicContact CB-SD 3.36Å; Q76-M89 WeakPolarHBondContact CB-SD 3.2Å; Q76-M89 HydrophobicContact CG-SD 3.57Å; Q76-M89 VanDerWaalsContact CG-SD 3.57Å
77L97.2Very high83.2Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-117143.6176.4-77158000110.5A32 L51 L57 V75 G87 E88 L115 V119 I125A32-L77 HydrophobicContact CB-CD2 3.56Å; A32-L77 HydrophobicContact CB-CG 4.09Å; L51-L77 HydrophobicContact CB-CD2 4.08Å; L51-L77 HydrophobicContact CD1-CD1 3.98Å; L51-L77 HydrophobicContact CD1-CD2 4.09Å; L51-L77 HydrophobicContact CD2-CD2 4.27Å; L51-L77 HydrophobicContact CG-CD2 4.38Å; L57-L77 HydrophobicContact CD2-CD2 4.32Å; V75-L77 HydrophobicContact CG1-CD1 4.29Å; V75-L77 HydrophobicContact CG1-CG 4.05Å; L77-G87 CarbonylContact O-C 3.56Å; L77-G87 WeakPolarHBondContact O-CA 3.47Å; L77-E88 PolarHBondContact N-O 2.78Å; L77-E88 PolarHBondContact O-N 3.04Å; L77-L115 HydrophobicContact CD1-CD1 4.14Å; L77-V119 HydrophobicContact CD1-CB 4.12Å; L77-V119 HydrophobicContact CD1-CG1 4.22Å; L77-V119 HydrophobicContact CD1-CG2 3.89Å; L77-I125 HydrophobicContact CB-CD1 4.02Å; L77-I125 HydrophobicContact CB-CG1 4.28Å; L77-I125 HydrophobicContact CB-CG2 4.28Å
78G96.1Very high84.8Confident6 Ų651.2 Ų51.26%0.06227%0.266CS..SBendtrans75.128175.600000114.6Y26 K124Y26-G78 WeakPolarHBondContact CE1-O 3.42Å; G78-K124 WeakPolarHBondContact CA-O 3.27Å
79A94.3Very high86.7Confident9 Ų952.1 Ų52.17%0.07427%0.27CS..  trans-105.1138.817600000110.8Q76 E86Q76-A79 HydrophobicContact CG-CB 3.81Å; A79-E86 HydrophobicContact CB-CB 4Å
80F92.9Very high88.7Confident16 Ų1643.9 Ų43.97%0.0724%0.235CC..SBendtrans-92.8-40.8163.3171.9-114000110.1D22 A23 P25 Y26 E86 W149 T161 L162D22-F80 HydrophobicContact CB-CZ 4.35Å; A23-F80 HydrophobicContact CB-CE2 4.48Å; A23-F80 WeakPolarHBondContact O-CE2 3.35Å; P25-F80 HydrophobicContact CB-CB 4.13Å; P25-F80 HydrophobicContact CB-CD1 4.23Å; P25-F80 HydrophobicContact CB-CD2 4.15Å; P25-F80 HydrophobicContact CB-CG 3.9Å; P25-F80 HydrophobicContact CG-CD1 4Å; P25-F80 HydrophobicContact CG-CD2 4.16Å; P25-F80 HydrophobicContact CG-CE1 4.05Å; P25-F80 HydrophobicContact CG-CE2 4.22Å; P25-F80 HydrophobicContact CG-CG 4.05Å; P25-F80 HydrophobicContact CG-CZ 4.15Å; Y26-F80 HydrophobicContact CD1-CB 4.45Å; Y26-F80 HydrophobicContact CE1-CB 4.04Å; F80-E86 PolarHBondContact N-OE2 3.49Å; F80-W149 PolarHBondContact O-NE1 3.25Å; F80-W149 VanDerWaalsContact O-NE1 3.07Å; F80-T161 HydrophobicContact CD1-CG2 4.34Å; F80-T161 HydrophobicContact CE1-CG2 3.53Å; F80-T161 HydrophobicContact CZ-CG2 3.73Å; F80-L162 HydrophobicContact CD2-CB 4.07Å; F80-L162 HydrophobicContact CE2-CB 4.37Å; F80-L162 PolarHBondContact O-N 2.86Å
81R91.7Very high90.3Very high100 Ų10038.6 Ų38.638%0.37721%0.209SC..BIsolated β-bridgetrans-98.4119.5171.1-68.3-178.4-173.496.2-1.4110.4D84 E86 H160 T161R81-D84 HydrophobicContact CB-CB 3.94Å; R81-D84 VanDerWaalsContact CB-OD2 3.29Å; R81-D84 WeakPolarHBondContact CB-OD2 3.32Å; R81-D84 WeakPolarHBondContact CD-OD2 3.5Å; R81-E86 PolarHBondContact N-OE2 3.01Å; R81-E86 IonicContact NH1-OE1 3.54Å; R81-H160 VanDerWaalsContact CA-O 3.25Å; R81-H160 WeakPolarHBondContact CA-O 3.43Å; R81-T161 HydrophobicContact CG-CG2 4.14Å
82H81.2Confident91.4Very high23 Ų2337.5 Ų37.511%0.10620%0.204CC..SBendtrans-73.9149.4177.288.392.5000109.6Y35 D84 W149 S159 H160Y35-H82 WeakPolarHBondContact OH-CB 3.41Å; Y35-H82 PolarHBondContact OH-ND1 3.28Å; Y35-H82 VanDerWaalsContact OH-ND1 3.13Å; H82-D84 PolarHBondContact O-N 2.84Å; H82-W149 HydrophobicContact CB-CD2 3.82Å; H82-W149 HydrophobicContact CB-CE3 4.44Å; H82-W149 HydrophobicContact CB-CG 3.91Å; H82-W149 HydrophobicContact CB-CZ2 4.28Å; H82-W149 AromaticContact CD2-CD1 3.5Å; H82-W149 VanDerWaalsContact CD2-CD1 3.5Å; H82-W149 AromaticContact CD2-CG 3.69Å; H82-W149 AromaticContact CG-CG 4Å; H82-S159 PolarHBondContact CD2-O 3.15Å; H82-S159 PolarHBondContact NE2-O 3.24Å; H82-H160 PolarHBondContact CD2-O 3.17Å; H82-H160 PolarHBondContact N-O 2.95Å; H82-H160 VanDerWaalsContact N-O 3.09Å; H82-H160 PolarHBondContact O-CD2 2.98Å
83A81.5Confident91.7Very high74 Ų7438.6 Ų38.661%0.61221%0.208SC*.SBendtrans68.9-12.5-178.400000115.6Y35Y35-A83 HydrophobicContact CE1-CB 4.36Å; Y35-A83 PolarHBondContact OH-N 3.27Å
84D85.3Confident91.7Very high59 Ų5940.5 Ų40.532%0.31622%0.216SC..SBendtrans-68.7162.5166.9-74.911.7000110.9Q76 R81 H82 E86 H160Q76-D84 PolarHBondContact NE2-O 2.95Å; R81-D84 HydrophobicContact CB-CB 3.94Å; R81-D84 VanDerWaalsContact CB-OD2 3.29Å; R81-D84 WeakPolarHBondContact CB-OD2 3.32Å; R81-D84 WeakPolarHBondContact CD-OD2 3.5Å; H82-D84 PolarHBondContact O-N 2.84Å; D84-E86 HydrophobicContact CB-CG 4.15Å; D84-E86 PolarHBondContact O-N 3.19Å; D84-H160 VanDerWaalsContact CG-NE2 3.33Å; D84-H160 IonicContact OD1-CD2 2.8Å; D84-H160 IonicContact OD1-CE1 3.51Å; D84-H160 IonicContact OD1-NE2 3.44Å; D84-H160 PolarHBondContact OD1-NE2 3.02Å; D84-H160 IonicContact OD2-CE1 3.73Å; D84-H160 IonicContact OD2-NE2 2.67Å; D84-H160 PolarHBondContact OD2-NE2 3.45Å
85K84.1Confident91.7Very high226 Ų22639.6 Ų39.698%0.98321%0.212SC*.SBendtrans-74.350.2173-64.5-177.5-179.4177.60111.7
86E86.1Confident91.6Very high32 Ų3241 Ų4115%0.1522%0.217CC..  trans-106.4142.9174.4-65.3-169.6-168.100110.6Y26 Q76 A79 F80 R81 D84Y26-E86 PolarHBondContact OH-OE2 3.11Å; Q76-E86 PolarHBondContact NE2-O 3.32Å; A79-E86 HydrophobicContact CB-CB 4Å; F80-E86 PolarHBondContact N-OE2 3.49Å; R81-E86 PolarHBondContact N-OE2 3.01Å; R81-E86 IonicContact NH1-OE1 3.54Å; D84-E86 HydrophobicContact CB-CG 4.15Å; D84-E86 PolarHBondContact O-N 3.19Å
87G90.5Very high91.5Very high50 Ų5041 Ų4152%0.51522%0.217SC..SBendtrans74.5-154171.200000114.8L77L77-G87 CarbonylContact O-C 3.56Å; L77-G87 WeakPolarHBondContact O-CA 3.47Å
88E94Very high91.5Very high41 Ų4141.9 Ų41.919%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-113.8130177.9-69.1-164.3-128.900111Q76 L77 I90 R117 V119 K120 I125Q76-E88 WeakPolarHBondContact CA-O 3.2Å; L77-E88 PolarHBondContact N-O 2.78Å; L77-E88 PolarHBondContact O-N 3.04Å; E88-I90 HydrophobicContact CB-CD1 4.35Å; E88-I90 HydrophobicContact CB-CG1 4.31Å; E88-R117 IonicContact OE2-CZ 3.67Å; E88-R117 VanDerWaalsContact OE2-CZ 3.23Å; E88-R117 IonicContact OE2-NH1 2.77Å; E88-R117 PolarHBondContact OE2-NH1 3.28Å; E88-R117 IonicContact OE2-NH2 3.42Å; E88-R117 PolarHBondContact OE2-NH2 2.96Å; E88-V119 HydrophobicContact CB-CG2 4.36Å; E88-V119 HydrophobicContact CG-CG2 4.43Å; E88-V119 WeakPolarHBondContact OE1-CG2 3.31Å; E88-K120 WeakPolarHBondContact OE1-CB 3.43Å; E88-K120 PolarHBondContact OE1-N 2.83Å; E88-I125 HydrophobicContact CB-CD1 4.41Å; E88-I125 HydrophobicContact CG-CD1 4.16Å
89M94.7Very high91.3Very high89 Ų8944.3 Ų44.344%0.43824%0.236SC..EExtended strand (participates in β ladder)trans-94.5125.8167-69.5-60.6-74.800110Y35 D74 V75 Q76Y35-M89 HydrophobicContact CD2-CE 3.89Å; Y35-M89 HydrophobicContact CE2-CE 4.32Å; D74-M89 HydrophobicContact CB-CE 3.59Å; V75-M89 CarbonylContact O-C 3.48Å; V75-M89 WeakPolarHBondContact O-CA 3.37Å; Q76-M89 HydrophobicContact CB-SD 3.36Å; Q76-M89 WeakPolarHBondContact CB-SD 3.2Å; Q76-M89 HydrophobicContact CG-SD 3.57Å; Q76-M89 VanDerWaalsContact CG-SD 3.57Å
90I95.5Very high91.4Very high4 Ų450.7 Ų50.72%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-138127.8-177.5-49-177.9000110.6V75 E88 L115 R117 V119V75-I90 PolarHBondContact N-O 3.17Å; V75-I90 PolarHBondContact O-N 3.25Å; E88-I90 HydrophobicContact CB-CD1 4.35Å; E88-I90 HydrophobicContact CB-CG1 4.31Å; I90-L115 HydrophobicContact CB-CD1 4.34Å; I90-L115 HydrophobicContact CB-CD2 4.17Å; I90-L115 HydrophobicContact CD1-CD1 3.99Å; I90-L115 HydrophobicContact CG2-CB 3.91Å; I90-L115 HydrophobicContact CG2-CD1 4.21Å; I90-L115 HydrophobicContact CG2-CD2 4.07Å; I90-L115 HydrophobicContact CG2-CG 4.29Å; I90-R117 HydrophobicContact CG2-CG 3.73Å; I90-V119 HydrophobicContact CD1-CB 3.65Å; I90-V119 HydrophobicContact CD1-CG2 3.82Å
91A95.2Very high91.4Very high16 Ų1651.3 Ų51.313%0.13226%0.264CS..EExtended strand (participates in β ladder)trans-66.9144.617500000112.2Y73 D74 K116Y73-A91 WeakPolarHBondContact O-CA 3.48Å; D74-A91 WeakPolarHBondContact OD1-CA 3.2Å; A91-K116 HydrophobicContact CB-CD 3.78Å; A91-K116 HydrophobicContact CB-CG 3.99Å; A91-K116 PolarHBondContact O-N 2.73Å
92V94.8Very high91.4Very high2 Ų249.3 Ų49.31%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-77.3130170.2-178.10000109.5Y73 V75 K94 V95 L113 L269Y73-V92 PolarHBondContact O-N 2.98Å; V75-V92 HydrophobicContact CG2-CG2 3.65Å; V92-K94 WeakPolarHBondContact CG1-O 3.3Å; V92-V95 HydrophobicContact CG1-CG2 4.03Å; V92-L113 HydrophobicContact CG1-CB 4.27Å; V92-L113 HydrophobicContact CG1-CD2 4.42Å; V92-L113 HydrophobicContact CG2-CD1 4.48Å; V92-L269 HydrophobicContact CB-CD1 4.14Å; V92-L269 HydrophobicContact CG1-CD1 4Å
93E93.6Very high91.8Very high37 Ų3749.8 Ų49.817%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-82.3-48.9173.4-166.6-164.5142.100110.6K114 K116 L269E93-K114 WeakPolarHBondContact CA-O 3.38Å; E93-K114 VanDerWaalsContact CB-O 3.32Å; E93-K114 WeakPolarHBondContact CB-O 3.29Å; E93-K114 VanDerWaalsContact CD-NZ 3.28Å; E93-K114 PolarHBondContact N-O 2.85Å; E93-K114 IonicContact OE1-NZ 2.67Å; E93-K114 PolarHBondContact OE1-NZ 2.72Å; E93-K114 WeakPolarHBondContact OE2-CD 2.99Å; E93-K114 WeakPolarHBondContact OE2-CE 3.26Å; E93-K114 IonicContact OE2-NZ 3.98Å; E93-K114 PolarHBondContact OE2-NZ 2.89Å; E93-K116 HydrophobicContact CB-CG 3.93Å; E93-K116 HydrophobicContact CG-CG 4.44Å; E93-L269 WeakPolarHBondContact O-CA 3.41Å; E93-L269 WeakPolarHBondContact O-CB 3.33Å; E93-L269 PolarHBondContact O-N 2.83Å
94K92.7Very high92.1Very high45 Ų4551.3 Ų51.320%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-147.4148.4-174.3-58.5-170.3-178.9-150.10111.8V92 Y96 K114 I267 D268V92-K94 WeakPolarHBondContact CG1-O 3.3Å; K94-Y96 HydrophobicContact CB-CD2 4.21Å; K94-Y96 HydrophobicContact CB-CE2 3.53Å; K94-Y96 HydrophobicContact CD-CE2 4.31Å; K94-Y96 WeakPolarHBondContact CD-OH 3.3Å; K94-Y96 HydrophobicContact CG-CE2 4.5Å; K94-K114 HydrophobicContact CB-CB 4.41Å; K94-K114 PolarHBondContact N-O 3.13Å; K94-K114 PolarHBondContact O-N 2.76Å; K94-I267 VanDerWaalsContact CA-O 3.24Å; K94-I267 WeakPolarHBondContact CA-O 3.39Å; K94-D268 WeakPolarHBondContact CE-OD2 3.41Å; K94-D268 IonicContact NZ-OD2 3.58Å; K94-D268 PolarHBondContact NZ-OD2 3.08Å
95V93Very high92.4Very high0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-116.1125.6171.9-175.10000108.5F64 V92 F97 A111 L113 V266 I267 L269F64-V95 HydrophobicContact CB-CG1 4.08Å; F64-V95 HydrophobicContact CD1-CG1 4.3Å; F64-V95 HydrophobicContact CD1-CG2 4.17Å; F64-V95 HydrophobicContact CD2-CG1 3.99Å; F64-V95 HydrophobicContact CE1-CG2 4.5Å; F64-V95 HydrophobicContact CG-CG1 3.84Å; V92-V95 HydrophobicContact CG1-CG2 4.03Å; V95-F97 HydrophobicContact CG1-CD2 4.25Å; V95-F97 HydrophobicContact CG1-CE2 3.85Å; V95-F97 HydrophobicContact CG1-CZ 4.47Å; V95-A111 HydrophobicContact CG1-CB 4.13Å; V95-L113 HydrophobicContact CB-CD2 4.14Å; V95-L113 HydrophobicContact CG1-CD2 3.79Å; V95-L113 HydrophobicContact CG2-CD2 3.75Å; V95-V266 CarbonylContact O-C 3.6Å; V95-V266 VanDerWaalsContact O-CA 3.31Å; V95-V266 WeakPolarHBondContact O-CA 3.29Å; V95-I267 HydrophobicContact CB-CB 4.22Å; V95-I267 PolarHBondContact N-O 3.46Å; V95-I267 PolarHBondContact O-N 2.91Å; V95-L269 HydrophobicContact CG2-CD1 4.16Å
96Y93.8Very high92.8Very high28 Ų2840.1 Ų40.111%0.1122%0.216CC..EExtended strand (participates in β ladder)trans-113.5113.3178.6-63.4-102.3000109.1W56 K94 A111 L112 K114 T253 P261 A263 V266W56-Y96 HydrophobicContact CH2-CD2 4.04Å; W56-Y96 AromaticContact CH2-CE2 3.55Å; W56-Y96 HydrophobicContact CH2-CE2 3.55Å; W56-Y96 AromaticContact CZ3-CD2 3.71Å; W56-Y96 HydrophobicContact CZ3-CD2 3.71Å; W56-Y96 AromaticContact CZ3-CE2 3.68Å; W56-Y96 HydrophobicContact CZ3-CE2 3.68Å; K94-Y96 HydrophobicContact CB-CD2 4.21Å; K94-Y96 HydrophobicContact CB-CE2 3.53Å; K94-Y96 HydrophobicContact CD-CE2 4.31Å; K94-Y96 WeakPolarHBondContact CD-OH 3.3Å; K94-Y96 HydrophobicContact CG-CE2 4.5Å; Y96-A111 CarbonylContact O-C 3.54Å; Y96-A111 VanDerWaalsContact O-CA 3.25Å; Y96-A111 WeakPolarHBondContact O-CA 3.16Å; Y96-L112 PolarHBondContact N-O 3.49Å; Y96-L112 PolarHBondContact O-N 3.36Å; Y96-K114 HydrophobicContact CE2-CB 4.23Å; Y96-T253 HydrophobicContact CD1-CG2 4.25Å; Y96-T253 HydrophobicContact CG-CG2 4.29Å; Y96-P261 HydrophobicContact CD1-CG 4.43Å; Y96-P261 HydrophobicContact CE1-CG 4.13Å; Y96-A263 HydrophobicContact CD1-CB 3.76Å; Y96-V266 HydrophobicContact CD1-CB 4.26Å; Y96-V266 HydrophobicContact CD1-CG1 3.84Å; Y96-V266 HydrophobicContact CD1-CG2 3.41Å; Y96-V266 VanDerWaalsContact CD1-CG2 3.41Å; Y96-V266 HydrophobicContact CE1-CB 4.41Å; Y96-V266 HydrophobicContact CE1-CG1 3.69Å; Y96-V266 HydrophobicContact CE1-CG2 3.75Å; Y96-V266 HydrophobicContact CE2-CG1 4.44Å; Y96-V266 HydrophobicContact CG-CG1 4.26Å; Y96-V266 HydrophobicContact CG-CG2 4.24Å
97F94.1Very high93.2Very high5 Ų540.8 Ų40.82%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-78.8147.4174.7-70.9-104.7000110.3G61 F64 F65 V95 Y101 G264 L265 I267G61-F97 WeakPolarHBondContact O-CE1 3.23Å; F64-F97 HydrophobicContact CB-CE1 4.28Å; F64-F97 HydrophobicContact CB-CE2 4.26Å; F64-F97 HydrophobicContact CB-CZ 3.57Å; F65-F97 HydrophobicContact CB-CE1 4.27Å; F65-F97 HydrophobicContact CD2-CE1 4.38Å; V95-F97 HydrophobicContact CG1-CD2 4.25Å; V95-F97 HydrophobicContact CG1-CE2 3.85Å; V95-F97 HydrophobicContact CG1-CZ 4.47Å; F97-Y101 AromaticContact CD1-CD1 3.71Å; F97-Y101 HydrophobicContact CD1-CD1 3.71Å; F97-Y101 HydrophobicContact CD1-CE1 4.14Å; F97-Y101 HydrophobicContact CD1-CG 4.46Å; F97-Y101 HydrophobicContact CE1-CD1 4.25Å; F97-Y101 HydrophobicContact CE1-CE1 4.22Å; F97-G264 PolarHBondContact O-N 2.82Å; F97-L265 HydrophobicContact CB-CB 4.39Å; F97-L265 HydrophobicContact CD2-CB 4.15Å; F97-L265 HydrophobicContact CD2-CD2 3.91Å; F97-L265 HydrophobicContact CD2-CG 4.13Å; F97-L265 HydrophobicContact CE2-CD2 3.9Å; F97-L265 HydrophobicContact CE2-CG 4.46Å; F97-L265 HydrophobicContact CG-CB 4.47Å; F97-L265 HydrophobicContact CZ-CD2 4.46Å; F97-L265 PolarHBondContact N-O 3.41Å; F97-I267 HydrophobicContact CE2-CD1 3.65Å; F97-I267 HydrophobicContact CE2-CG1 4.05Å; F97-I267 HydrophobicContact CZ-CD1 4.21Å
98H95.5Very high93.5Very high17 Ų1740.8 Ų40.88%0.07920%0.203CC..  trans-54.6133.4167.1-171.4-80.8000109.3K100 Y101 R108 A110 F246 W249H98-K100 PolarHBondContact ND1-N 2.91Å; H98-K100 VanDerWaalsContact ND1-N 3.19Å; H98-K100 PolarHBondContact O-N 2.82Å; H98-Y101 WeakPolarHBondContact O-CB 3.41Å; H98-Y101 PolarHBondContact O-N 2.8Å; H98-R108 HydrophobicContact CB-CB 4.46Å; H98-R108 WeakPolarHBondContact CB-O 3.42Å; H98-A110 HydrophobicContact CB-CB 4.32Å; H98-A110 PolarHBondContact N-O 3.04Å; H98-F246 AromaticContact CD2-CD1 3.73Å; H98-F246 AromaticContact NE2-CD1 3.66Å; H98-W249 HydrophobicContact CB-CH2 4.16Å; H98-W249 HydrophobicContact CB-CZ2 4.27Å; H98-W249 HydrophobicContact CB-CZ3 4.35Å; H98-W249 AromaticContact CD2-CD2 3.68Å; H98-W249 AromaticContact CD2-CE3 3.61Å; H98-W249 AromaticContact CD2-CG 4Å
99P93.1Very high93.6Very high57 Ų5738.9 Ų38.937%0.3719%0.194SC..THydrogen-bonded Turntrans-59.2-23.2-172.923.2-37.3000115T262P99-T262 WeakPolarHBondContact CB-O 3.47Å; P99-T262 WeakPolarHBondContact CD-O 3.28Å; P99-T262 WeakPolarHBondContact CG-O 3.48Å
100K95.1Very high93.7Very high144 Ų14434.6 Ų34.663%0.62617%0.173SC*.THydrogen-bonded Turntrans-114.221.3-179.8-61.7-177.2-178.4-176.80112.5H98 N102H98-K100 PolarHBondContact ND1-N 2.91Å; H98-K100 VanDerWaalsContact ND1-N 3.19Å; H98-K100 PolarHBondContact O-N 2.82Å; K100-N102 PolarHBondContact O-N 2.88Å
101Y93.9Very high93.7Very high29 Ų2934.4 Ų34.411%0.11417%0.172CC..  trans-60.6128.9172.5171.1-122.8000109.4H62 F65 F97 H98 P103 L106 D109H62-Y101 WeakPolarHBondContact CA-OH 3.42Å; H62-Y101 PolarHBondContact N-OH 2.81Å; F65-Y101 HydrophobicContact CB-CE1 4.09Å; F65-Y101 HydrophobicContact CD2-CD1 4.43Å; F65-Y101 AromaticContact CD2-CE1 3.71Å; F65-Y101 HydrophobicContact CD2-CE1 3.71Å; F65-Y101 HydrophobicContact CE2-CE1 4.41Å; F65-Y101 AromaticContact CG-CE1 3.96Å; F65-Y101 HydrophobicContact CG-CE1 3.96Å; F97-Y101 AromaticContact CD1-CD1 3.71Å; F97-Y101 HydrophobicContact CD1-CD1 3.71Å; F97-Y101 HydrophobicContact CD1-CE1 4.14Å; F97-Y101 HydrophobicContact CD1-CG 4.46Å; F97-Y101 HydrophobicContact CE1-CD1 4.25Å; F97-Y101 HydrophobicContact CE1-CE1 4.22Å; H98-Y101 WeakPolarHBondContact O-CB 3.41Å; H98-Y101 PolarHBondContact O-N 2.8Å; Y101-P103 HydrophobicContact CE1-CB 4.08Å; Y101-L106 HydrophobicContact CE2-CD2 4.49Å; Y101-D109 HydrophobicContact CD2-CB 4.18Å; Y101-D109 HydrophobicContact CE2-CB 3.85Å; Y101-D109 WeakPolarHBondContact CE2-OD1 3.03Å
102N92.2Very high93.8Very high57 Ų5733.7 Ų33.731%0.30517%0.166SC..  trans-116.2111.2176.4-175.3-15.7000109.8K100 L104 T105 L106 E107K100-N102 PolarHBondContact O-N 2.88Å; N102-L104 PolarHBondContact O-N 2.91Å; N102-L104 WeakPolarHBondContact OD1-CB 3.3Å; N102-L104 PolarHBondContact OD1-N 3.22Å; N102-T105 WeakPolarHBondContact CB-OG1 3.06Å; N102-T105 PolarHBondContact ND2-OG1 3.49Å; N102-T105 PolarHBondContact O-N 2.97Å; N102-L106 VanDerWaalsContact O-CA 3.26Å; N102-L106 WeakPolarHBondContact O-CA 3.2Å; N102-L106 PolarHBondContact O-N 2.85Å; N102-E107 PolarHBondContact N-O 2.91Å; N102-E107 VanDerWaalsContact N-O 3.08Å
103P89Confident93.9Very high34 Ų3433.6 Ų33.622%0.22117%0.166CC..THydrogen-bonded Turntrans-70.1-14.8-178.831.3-38.2000113.8F65 Y101F65-P103 HydrophobicContact CD1-CB 3.66Å; F65-P103 HydrophobicContact CD2-CB 4.24Å; F65-P103 HydrophobicContact CE1-CB 3.33Å; F65-P103 HydrophobicContact CE1-CG 3.79Å; F65-P103 HydrophobicContact CE2-CB 3.94Å; F65-P103 HydrophobicContact CE2-CG 3.92Å; F65-P103 HydrophobicContact CG-CB 4.11Å; F65-P103 HydrophobicContact CZ-CB 3.49Å; F65-P103 VanDerWaalsContact CZ-CB 3.49Å; F65-P103 HydrophobicContact CZ-CG 3.44Å; F65-P103 VanDerWaalsContact CZ-CG 3.44Å; Y101-P103 HydrophobicContact CE1-CB 4.08Å
104L88.3Confident94Very high105 Ų10533.9 Ų33.955%0.5517%0.166SC..THydrogen-bonded Turntrans-84.6-39.1178-57.9176.1000111.7N102 P302 V303N102-L104 PolarHBondContact O-N 2.91Å; N102-L104 WeakPolarHBondContact OD1-CB 3.3Å; N102-L104 PolarHBondContact OD1-N 3.22Å; L104-P302 WeakPolarHBondContact O-CA 3.34Å; L104-V303 HydrophobicContact CB-CG2 4.16Å; L104-V303 HydrophobicContact CD2-CG2 3.83Å; L104-V303 PolarHBondContact O-N 2.94Å
105T91.2Very high94.2Very high49 Ų4931.8 Ų31.830%0.30116%0.157SC..THydrogen-bonded Turntrans-102.3-9.7-177.364.20000113.4N102 E107 M188N102-T105 WeakPolarHBondContact CB-OG1 3.06Å; N102-T105 PolarHBondContact ND2-OG1 3.49Å; N102-T105 PolarHBondContact O-N 2.97Å; T105-E107 PolarHBondContact O-N 3.29Å; T105-E107 VanDerWaalsContact O-N 3.1Å; T105-E107 WeakPolarHBondContact OG1-CB 3.44Å; T105-E107 WeakPolarHBondContact OG1-CG 3.19Å; T105-E107 PolarHBondContact OG1-N 2.89Å; T105-M188 WeakPolarHBondContact O-CE 3.5Å
106L92.4Very high94.4Very high2 Ų235 Ų351%0.0117%0.171CC..  trans55.919.9-170.6-56.2174.3000113.3H62 Y101 N102 R108 D109 M188 W227 F299H62-L106 HydrophobicContact CB-CD2 4.25Å; Y101-L106 HydrophobicContact CE2-CD2 4.49Å; N102-L106 VanDerWaalsContact O-CA 3.26Å; N102-L106 WeakPolarHBondContact O-CA 3.2Å; N102-L106 PolarHBondContact O-N 2.85Å; L106-R108 PolarHBondContact O-N 3.2Å; L106-D109 VanDerWaalsContact O-CB 3.29Å; L106-D109 WeakPolarHBondContact O-CB 3.26Å; L106-M188 WeakPolarHBondContact O-CE 3.38Å; L106-W227 HydrophobicContact CD1-CB 3.56Å; L106-W227 HydrophobicContact CD1-CG 3.91Å; L106-F299 WeakPolarHBondContact CD1-O 3.33Å
107E95.5Very high94.5Very high45 Ų4538.9 Ų38.921%0.2119%0.186CC..THydrogen-bonded Turntrans-67.3135.8170.4-77.2-167.4-177.900110.6N102 T105 D109 N184 V187 M188N102-E107 PolarHBondContact N-O 2.91Å; N102-E107 VanDerWaalsContact N-O 3.08Å; T105-E107 PolarHBondContact O-N 3.29Å; T105-E107 VanDerWaalsContact O-N 3.1Å; T105-E107 WeakPolarHBondContact OG1-CB 3.44Å; T105-E107 WeakPolarHBondContact OG1-CG 3.19Å; T105-E107 PolarHBondContact OG1-N 2.89Å; E107-D109 PolarHBondContact O-N 2.81Å; E107-N184 HydrophobicContact CG-CB 4.23Å; E107-N184 WeakPolarHBondContact OE1-CB 3.44Å; E107-N184 PolarHBondContact OE1-ND2 2.85Å; E107-V187 HydrophobicContact CB-CG2 4.24Å; E107-V187 HydrophobicContact CG-CG2 4.11Å; E107-M188 HydrophobicContact CB-CE 4.43Å; E107-M188 HydrophobicContact CG-CE 3.93Å
108R96Very high94.6Very high51 Ų5144.3 Ų44.319%0.19221%0.209CC..THydrogen-bonded Turntrans56.839.2178.6-47177.3-17865.111.4111.7H98 L106 A110 V187 F246H98-R108 HydrophobicContact CB-CB 4.46Å; H98-R108 WeakPolarHBondContact CB-O 3.42Å; L106-R108 PolarHBondContact O-N 3.2Å; R108-A110 PolarHBondContact O-N 2.58Å; R108-V187 HydrophobicContact CG-CB 4.04Å; R108-V187 HydrophobicContact CG-CG1 3.97Å; R108-V187 HydrophobicContact CG-CG2 4.2Å; R108-F246 HydrophobicContact CB-CE1 3.8Å; R108-F246 HydrophobicContact CB-CZ 4Å; R108-F246 HydrophobicContact CG-CE1 3.7Å; R108-F246 HydrophobicContact CG-CZ 4.18Å
109D96.1Very high94.7Very high0 Ų043.9 Ų43.90%021%0.208CC..  trans-68.279.5175.1-178.826.3000110.6G61 H62 Y101 L106 E107 S226 S241G61-D109 VanDerWaalsContact CA-OD1 3.24Å; G61-D109 WeakPolarHBondContact CA-OD1 3.31Å; G61-D109 PolarHBondContact N-OD1 3.47Å; H62-D109 IonicContact CE1-OD2 4Å; H62-D109 IonicContact CG-OD1 3.55Å; H62-D109 IonicContact CG-OD2 3.89Å; H62-D109 PolarHBondContact N-OD1 2.85Å; H62-D109 IonicContact ND1-OD1 2.78Å; H62-D109 IonicContact ND1-OD2 2.89Å; H62-D109 PolarHBondContact ND1-OD2 3Å; Y101-D109 HydrophobicContact CD2-CB 4.18Å; Y101-D109 HydrophobicContact CE2-CB 3.85Å; Y101-D109 WeakPolarHBondContact CE2-OD1 3.03Å; L106-D109 VanDerWaalsContact O-CB 3.29Å; L106-D109 WeakPolarHBondContact O-CB 3.26Å; E107-D109 PolarHBondContact O-N 2.81Å; D109-S226 WeakPolarHBondContact CB-OG 3.45Å; D109-S226 WeakPolarHBondContact OD2-CA 3.14Å; D109-S226 WeakPolarHBondContact OD2-CB 3.33Å; D109-S226 PolarHBondContact OD2-OG 2.94Å; D109-S241 VanDerWaalsContact C-OG 3.26Å; D109-S241 WeakPolarHBondContact CA-OG 3.32Å; D109-S241 PolarHBondContact N-OG 3.45Å; D109-S241 VanDerWaalsContact N-OG 3.11Å; D109-S241 VanDerWaalsContact O-CB 3.29Å; D109-S241 WeakPolarHBondContact O-CB 3.14Å; D109-S241 PolarHBondContact O-OG 3.08Å
110A96.9Very high94.8Very high0 Ų049 Ų490%022%0.224CC..  trans-144.3138.8-178.300000110.5S59 H98 R108 I224 F246 W249S59-A110 WeakPolarHBondContact O-CA 3.43Å; H98-A110 HydrophobicContact CB-CB 4.32Å; H98-A110 PolarHBondContact N-O 3.04Å; R108-A110 PolarHBondContact O-N 2.58Å; A110-I224 HydrophobicContact CB-CD1 3.81Å; A110-F246 HydrophobicContact CB-CD2 3.83Å; A110-F246 HydrophobicContact CB-CE2 3.95Å; A110-W249 HydrophobicContact CB-CH2 4.45Å; A110-W249 HydrophobicContact CB-CZ3 4.08Å
111A95.8Very high94.8Very high0 Ų045.1 Ų45.10%021%0.209CC..EExtended strand (participates in β ladder)trans-134.8142.6171.700000111S59 F64 V95 Y96S59-A111 PolarHBondContact N-O 2.89Å; S59-A111 PolarHBondContact O-N 2.71Å; F64-A111 HydrophobicContact CD2-CB 3.95Å; F64-A111 HydrophobicContact CE2-CB 4.18Å; V95-A111 HydrophobicContact CG1-CB 4.13Å; Y96-A111 CarbonylContact O-C 3.54Å; Y96-A111 VanDerWaalsContact O-CA 3.25Å; Y96-A111 WeakPolarHBondContact O-CA 3.16Å
112L97.3Very high94.9Very high0 Ų046.5 Ų46.50%022%0.223CC..EExtended strand (participates in β ladder)trans-102131.7170.2-67.8163.5000109.6L52 W56 L57 L58 Y96 W249 I250 T253 V254L52-L112 HydrophobicContact CD1-CD2 3.62Å; W56-L112 HydrophobicContact CE3-CB 4.21Å; W56-L112 HydrophobicContact CZ3-CB 4.2Å; L57-L112 CarbonylContact O-C 3.51Å; L57-L112 WeakPolarHBondContact O-CA 3.49Å; L58-L112 HydrophobicContact CB-CD2 4.48Å; L58-L112 HydrophobicContact CD1-CD2 3.92Å; Y96-L112 PolarHBondContact N-O 3.49Å; Y96-L112 PolarHBondContact O-N 3.36Å; L112-W249 HydrophobicContact CB-CH2 4.26Å; L112-W249 HydrophobicContact CD1-CD2 4.24Å; L112-W249 HydrophobicContact CD1-CE3 4.13Å; L112-W249 HydrophobicContact CD1-CH2 3.62Å; L112-W249 HydrophobicContact CD1-CZ2 3.65Å; L112-W249 HydrophobicContact CD1-CZ3 3.85Å; L112-W249 HydrophobicContact CG-CH2 3.5Å; L112-W249 VanDerWaalsContact CG-CH2 3.5Å; L112-W249 HydrophobicContact CG-CZ2 3.97Å; L112-W249 HydrophobicContact CG-CZ3 3.82Å; L112-I250 HydrophobicContact CD2-CG1 4.38Å; L112-I250 HydrophobicContact CD2-CG2 4.12Å; L112-T253 HydrophobicContact CD1-CG2 3.62Å; L112-V254 HydrophobicContact CD1-CG2 4.08Å; L112-V254 HydrophobicContact CD2-CG2 4.02Å
113L96.5Very high95Very high0 Ų049.4 Ų49.40%024%0.238CC..EExtended strand (participates in β ladder)trans-106.6128.1176.3-48.4178.4000109.1I34 W56 L57 F64 V75 V92 V95I34-L113 HydrophobicContact CD1-CD1 3.92Å; I34-L113 HydrophobicContact CG1-CD1 4.13Å; W56-L113 CarbonylContact C-O 3.59Å; W56-L113 VanDerWaalsContact CA-O 3.32Å; W56-L113 WeakPolarHBondContact CA-O 3.37Å; L57-L113 HydrophobicContact CB-CB 4.22Å; L57-L113 HydrophobicContact CB-CD1 4.47Å; L57-L113 HydrophobicContact CD1-CB 4.44Å; L57-L113 PolarHBondContact N-O 2.67Å; L57-L113 PolarHBondContact O-N 3.31Å; F64-L113 HydrophobicContact CD2-CD2 4.41Å; F64-L113 HydrophobicContact CE1-CD1 4.43Å; F64-L113 HydrophobicContact CE1-CD2 3.91Å; F64-L113 HydrophobicContact CE2-CD1 4.41Å; F64-L113 HydrophobicContact CE2-CD2 3.75Å; F64-L113 HydrophobicContact CE2-CG 4.49Å; F64-L113 HydrophobicContact CZ-CD1 3.7Å; F64-L113 HydrophobicContact CZ-CD2 3.46Å; F64-L113 VanDerWaalsContact CZ-CD2 3.46Å; F64-L113 HydrophobicContact CZ-CG 4.13Å; V75-L113 HydrophobicContact CG2-CD1 4.47Å; V92-L113 HydrophobicContact CG1-CB 4.27Å; V92-L113 HydrophobicContact CG1-CD2 4.42Å; V92-L113 HydrophobicContact CG2-CD1 4.48Å; V95-L113 HydrophobicContact CB-CD2 4.14Å; V95-L113 HydrophobicContact CG1-CD2 3.79Å; V95-L113 HydrophobicContact CG2-CD2 3.75Å
114K96Very high95.4Very high44 Ų4452.1 Ų52.119%0.19125%0.247CC..EExtended strand (participates in β ladder)trans-100.2123.6169.2-170.2-175.7174.2-140.40108.7Q55 W56 E93 K94 Y96Q55-K114 HydrophobicContact CG-CG 4.45Å; W56-K114 HydrophobicContact CD2-CB 4.26Å; W56-K114 HydrophobicContact CD2-CG 4.28Å; W56-K114 HydrophobicContact CE3-CB 3.97Å; W56-K114 HydrophobicContact CE3-CG 4.47Å; W56-K114 HydrophobicContact CH2-CB 3.83Å; W56-K114 HydrophobicContact CH2-CD 3.94Å; W56-K114 HydrophobicContact CH2-CG 4.05Å; W56-K114 HydrophobicContact CZ2-CB 4.1Å; W56-K114 HydrophobicContact CZ2-CD 3.69Å; W56-K114 HydrophobicContact CZ2-CG 3.81Å; W56-K114 HydrophobicContact CZ3-CB 3.75Å; W56-K114 HydrophobicContact CZ3-CG 4.36Å; E93-K114 WeakPolarHBondContact CA-O 3.38Å; E93-K114 VanDerWaalsContact CB-O 3.32Å; E93-K114 WeakPolarHBondContact CB-O 3.29Å; E93-K114 VanDerWaalsContact CD-NZ 3.28Å; E93-K114 PolarHBondContact N-O 2.85Å; E93-K114 IonicContact OE1-NZ 2.67Å; E93-K114 PolarHBondContact OE1-NZ 2.72Å; E93-K114 WeakPolarHBondContact OE2-CD 2.99Å; E93-K114 WeakPolarHBondContact OE2-CE 3.26Å; E93-K114 IonicContact OE2-NZ 3.98Å; E93-K114 PolarHBondContact OE2-NZ 2.89Å; K94-K114 HydrophobicContact CB-CB 4.41Å; K94-K114 PolarHBondContact N-O 3.13Å; K94-K114 PolarHBondContact O-N 2.76Å; Y96-K114 HydrophobicContact CE2-CB 4.23Å
115L97.1Very high95.8Very high0 Ų047.4 Ų47.40%022%0.222CC..EExtended strand (participates in β ladder)trans-75.7147.4176.1-63.3179.4000111.7Q55 L57 V75 L77 I90 R117Q55-L115 HydrophobicContact CG-CB 4.15Å; Q55-L115 WeakPolarHBondContact CG-O 3.37Å; Q55-L115 PolarHBondContact NE2-O 3.36Å; Q55-L115 PolarHBondContact O-N 2.91Å; L57-L115 HydrophobicContact CD1-CD1 3.82Å; L57-L115 HydrophobicContact CD1-CD2 3.54Å; L57-L115 HydrophobicContact CD1-CG 3.52Å; V75-L115 HydrophobicContact CB-CD2 3.98Å; V75-L115 HydrophobicContact CG1-CD2 4.49Å; V75-L115 HydrophobicContact CG2-CD2 3.94Å; L77-L115 HydrophobicContact CD1-CD1 4.14Å; I90-L115 HydrophobicContact CB-CD1 4.34Å; I90-L115 HydrophobicContact CB-CD2 4.17Å; I90-L115 HydrophobicContact CD1-CD1 3.99Å; I90-L115 HydrophobicContact CG2-CB 3.91Å; I90-L115 HydrophobicContact CG2-CD1 4.21Å; I90-L115 HydrophobicContact CG2-CD2 4.07Å; I90-L115 HydrophobicContact CG2-CG 4.29Å; L115-R117 VanDerWaalsContact CB-O 3.29Å; L115-R117 WeakPolarHBondContact CB-O 2.96Å; L115-R117 PolarHBondContact O-N 3.08Å
116K95.8Very high96.1Very high68 Ų6845.9 Ų45.930%0.29621%0.213SC..SBendtrans-60.5-26.7175.9-72.9-160.3-172.7-171.80113.2A91 E93 D273A91-K116 HydrophobicContact CB-CD 3.78Å; A91-K116 HydrophobicContact CB-CG 3.99Å; A91-K116 PolarHBondContact O-N 2.73Å; E93-K116 HydrophobicContact CB-CG 3.93Å; E93-K116 HydrophobicContact CG-CG 4.44Å; K116-D273 IonicContact NZ-OD2 2.98Å; K116-D273 PolarHBondContact NZ-OD2 3.36Å
117R96.2Very high96.4Very high110 Ų11046.5 Ų46.542%0.41522%0.218SC..SBendtrans-141.8162175.463171.4-176.678.8-6.9110.6E88 I90 L115E88-R117 IonicContact OE2-CZ 3.67Å; E88-R117 VanDerWaalsContact OE2-CZ 3.23Å; E88-R117 IonicContact OE2-NH1 2.77Å; E88-R117 PolarHBondContact OE2-NH1 3.28Å; E88-R117 IonicContact OE2-NH2 3.42Å; E88-R117 PolarHBondContact OE2-NH2 2.96Å; I90-R117 HydrophobicContact CG2-CG 3.73Å; L115-R117 VanDerWaalsContact CB-O 3.29Å; L115-R117 WeakPolarHBondContact CB-O 2.96Å; L115-R117 PolarHBondContact O-N 3.08Å
118K97.2Very high96.5Very high119 Ų11944.5 Ų44.552%0.51721%0.208SC..  trans-67.2140.3171-67.8175.9166.2-1350110.9D54 Q55D54-K118 HydrophobicContact CB-CB 4.4Å; D54-K118 CarbonylContact O-C 3.58Å; D54-K118 WeakPolarHBondContact O-CA 3.38Å; D54-K118 IonicContact OD1-NZ 3.83Å; D54-K118 VanDerWaalsContact OD2-CD 3.29Å; D54-K118 WeakPolarHBondContact OD2-CD 3.38Å; D54-K118 WeakPolarHBondContact OD2-CE 3.33Å; D54-K118 IonicContact OD2-NZ 2.91Å; D54-K118 PolarHBondContact OD2-NZ 3.43Å; Q55-K118 HydrophobicContact CB-CG 4.22Å; Q55-K118 HydrophobicContact CG-CG 4.4Å
119V96.6Very high96.6Very high7 Ų742.1 Ų42.14%0.04220%0.2CC..  trans-83.7147.3170.1690000110.1L51 D54 L77 E88 I90 M121 I125L51-V119 HydrophobicContact CD1-CG1 4.23Å; L51-V119 HydrophobicContact CD2-CG1 4.13Å; D54-V119 PolarHBondContact O-N 3.32Å; L77-V119 HydrophobicContact CD1-CB 4.12Å; L77-V119 HydrophobicContact CD1-CG1 4.22Å; L77-V119 HydrophobicContact CD1-CG2 3.89Å; E88-V119 HydrophobicContact CB-CG2 4.36Å; E88-V119 HydrophobicContact CG-CG2 4.43Å; E88-V119 WeakPolarHBondContact OE1-CG2 3.31Å; I90-V119 HydrophobicContact CD1-CB 3.65Å; I90-V119 HydrophobicContact CD1-CG2 3.82Å; V119-M121 HydrophobicContact CG1-CE 4.44Å; V119-M121 PolarHBondContact O-N 3.16Å; V119-I125 HydrophobicContact CG1-CG2 4.12Å; V119-I125 HydrophobicContact CG2-CD1 3.91Å; V119-I125 HydrophobicContact CG2-CG2 3.84Å
120K95.3Very high96.6Very high165 Ų16543.2 Ų43.272%0.71721%0.205SC*.  trans-83.9113.1174.9-172.8179.5177.7-177.90109.5E88E88-K120 WeakPolarHBondContact OE1-CB 3.43Å; E88-K120 PolarHBondContact OE1-N 2.83Å
121M95.9Very high96.6Very high63 Ų6343.4 Ų43.431%0.3121%0.206SC..  trans-59.4140.7174.1-63.4-6018000111.1L51 N53 D54 V119 I125 P127L51-M121 HydrophobicContact CD2-CE 4.01Å; L51-M121 HydrophobicContact CD2-SD 4.11Å; N53-M121 WeakPolarHBondContact O-CE 3.25Å; D54-M121 HydrophobicContact CB-CE 3.79Å; D54-M121 VanDerWaalsContact N-CE 3.27Å; V119-M121 HydrophobicContact CG1-CE 4.44Å; V119-M121 PolarHBondContact O-N 3.16Å; M121-I125 WeakPolarHBondContact CA-O 3.42Å; M121-I125 HydrophobicContact SD-CG2 4.42Å; M121-P127 HydrophobicContact CE-CG 4.43Å
122S95.6Very high96.5Very high57 Ų5751.6 Ų51.640%0.39924%0.237SC..BIsolated β-bridgetrans-156.5178.5-179.766.80000110.4K124 I125S122-K124 PolarHBondContact O-N 3.18Å; S122-K124 VanDerWaalsContact O-N 3.08Å; S122-K124 PolarHBondContact OG-N 3.06Å; S122-I125 PolarHBondContact N-O 2.96Å; S122-I125 CarbonylContact O-C 3.42Å; S122-I125 PolarHBondContact O-N 3.02Å; S122-I125 VanDerWaalsContact O-N 3.08Å; S122-I125 PolarHBondContact OG-N 2.84Å
123D95.1Very high96.4Very high118 Ų11853.7 Ų53.763%0.63125%0.252SS*.THydrogen-bonded Turntrans-60.2-19.8174.4-64-19.2000113.4A9A9-D123 HydrophobicContact CB-CB 3.7Å
124K96.2Very high96.3Very high92 Ų9256 Ų5640%0.427%0.271SS..THydrogen-bonded Turntrans-100.4-14.3178.5-53.9-177.7177.9-171.40113.5Y26 P29 G78 S122Y26-K124 HydrophobicContact CD1-CB 4.02Å; Y26-K124 HydrophobicContact CD1-CD 3.72Å; Y26-K124 HydrophobicContact CD1-CG 3.87Å; Y26-K124 HydrophobicContact CD2-CD 4.04Å; Y26-K124 HydrophobicContact CD2-CG 4.13Å; Y26-K124 HydrophobicContact CE1-CD 3.79Å; Y26-K124 HydrophobicContact CE1-CG 4.45Å; Y26-K124 HydrophobicContact CE2-CD 4.08Å; Y26-K124 HydrophobicContact CG-CB 4.18Å; Y26-K124 HydrophobicContact CG-CD 3.85Å; Y26-K124 HydrophobicContact CG-CG 3.69Å; Y26-K124 PolarHBondContact OH-NZ 3.21Å; P29-K124 WeakPolarHBondContact CA-O 3.3Å; P29-K124 WeakPolarHBondContact CB-O 3.35Å; G78-K124 WeakPolarHBondContact CA-O 3.27Å; S122-K124 PolarHBondContact O-N 3.18Å; S122-K124 VanDerWaalsContact O-N 3.08Å; S122-K124 PolarHBondContact OG-N 3.06Å
125I97.3Very high96.1Very high6 Ų660.7 Ų60.73%0.03130%0.298CS..BIsolated β-bridgetrans-134.3103.8-175.2-55.8177.3000108.5P29 L51 L77 E88 V119 M121 S122P29-I125 WeakPolarHBondContact O-CA 3.4Å; L51-I125 HydrophobicContact CD2-CG2 3.64Å; L77-I125 HydrophobicContact CB-CD1 4.02Å; L77-I125 HydrophobicContact CB-CG1 4.28Å; L77-I125 HydrophobicContact CB-CG2 4.28Å; E88-I125 HydrophobicContact CB-CD1 4.41Å; E88-I125 HydrophobicContact CG-CD1 4.16Å; V119-I125 HydrophobicContact CG1-CG2 4.12Å; V119-I125 HydrophobicContact CG2-CD1 3.91Å; V119-I125 HydrophobicContact CG2-CG2 3.84Å; M121-I125 WeakPolarHBondContact CA-O 3.42Å; M121-I125 HydrophobicContact SD-CG2 4.42Å; S122-I125 PolarHBondContact N-O 2.96Å; S122-I125 CarbonylContact O-C 3.42Å; S122-I125 PolarHBondContact O-N 3.02Å; S122-I125 VanDerWaalsContact O-N 3.08Å; S122-I125 PolarHBondContact OG-N 2.84Å
126S97.5Very high95.9Very high17 Ų1762.4 Ų62.412%0.11931%0.306CS..  trans-153.5148.5178.674.90000110.6P29 W30P29-S126 CarbonylContact C-O 3.41Å; P29-S126 VanDerWaalsContact C-O 3.3Å; P29-S126 WeakPolarHBondContact CG-OG 3.42Å; P29-S126 PolarHBondContact O-N 3.42Å; W30-S126 WeakPolarHBondContact CA-O 3.37Å; W30-S126 VanDerWaalsContact CB-O 3.3Å; W30-S126 WeakPolarHBondContact CB-O 3.36Å; W30-S126 PolarHBondContact N-O 2.97Å
127P98.2Very high95.6Very high15 Ų1562.4 Ų62.410%0.09731%0.307CS..PPolyproline II helixtrans-76.4154.1-170.229.5-33.9000113.4C5 G6 L51 L52 M121C5-P127 CarbonylContact C-O 3.54Å; C5-P127 VanDerWaalsContact CA-O 3.26Å; C5-P127 WeakPolarHBondContact CA-O 3.12Å; C5-P127 HydrophobicContact CB-CB 4.4Å; C5-P127 HydrophobicContact CB-CG 4.06Å; G6-P127 PolarHBondContact N-O 2.88Å; L51-P127 CarbonylContact O-C 3.52Å; L51-P127 WeakPolarHBondContact O-CA 3.16Å; L51-P127 WeakPolarHBondContact O-CB 3.18Å; L52-P127 VanDerWaalsContact C-CB 3.47Å; L52-P127 VanDerWaalsContact O-CB 3.3Å; L52-P127 WeakPolarHBondContact O-CB 2.95Å; M121-P127 HydrophobicContact CE-CG 4.43Å
128V98.3Very high95.3Very high3 Ų357.6 Ų57.62%0.01829%0.291CS..PPolyproline II helixtrans-81.6152.4167.571.50000110.1W30 L51 L52 V210 Q221W30-V128 HydrophobicContact CB-CB 3.89Å; W30-V128 HydrophobicContact CB-CG1 4.49Å; W30-V128 HydrophobicContact CD2-CB 3.7Å; W30-V128 HydrophobicContact CD2-CG2 3.98Å; W30-V128 HydrophobicContact CE3-CB 4.15Å; W30-V128 HydrophobicContact CE3-CG2 4.45Å; W30-V128 HydrophobicContact CG-CB 3.59Å; W30-V128 HydrophobicContact CG-CG1 4.47Å; W30-V128 HydrophobicContact CG-CG2 4.23Å; W30-V128 HydrophobicContact CZ2-CG2 4.27Å; L51-V128 PolarHBondContact O-N 3.47Å; L52-V128 HydrophobicContact CD2-CG1 4.39Å; V128-V210 HydrophobicContact CG2-CG1 3.89Å; V128-Q221 HydrophobicContact CG1-CB 4.01Å; V128-Q221 HydrophobicContact CG2-CB 3.95Å
129C97.8Very high95Very high1 Ų160.1 Ų60.11%0.00730%0.301CS..BIsolated β-bridgetrans-81.9150.4170.8-63.30000111.6C5 Q218 W219 I220 Q221C5-C129 HydrophobicContact CB-CB 4.06Å; C5-C129 WeakPolarHBondContact CB-SG 3.48Å; C5-C129 PolarHBondContact O-SG 2.82Å; C5-C129 WeakPolarHBondContact SG-CA 3.44Å; C5-C129 WeakPolarHBondContact SG-CB 3.18Å; C5-C129 CovalentContact SG-SG 2.05Å; C5-C129 PolarHBondContact SG-SG 3.18Å; C129-Q218 PolarHBondContact SG-OE1 2.77Å; C129-W219 VanDerWaalsContact CB-O 3.3Å; C129-W219 WeakPolarHBondContact CB-O 3.4Å; C129-W219 PolarHBondContact N-O 3.17Å; C129-I220 HydrophobicContact CB-CG1 4.4Å; C129-I220 WeakPolarHBondContact O-CA 3.41Å; C129-Q221 PolarHBondContact O-N 3.21Å
130L97.3Very high94.9Very high22 Ų2264.8 Ų64.812%0.11533%0.326CS..PPolyproline II helixtrans-96.1161.2169.4-63.9173.8000110.8L52 L58 R216 V243 I250L52-L130 HydrophobicContact CD2-CD1 4.22Å; L52-L130 HydrophobicContact CD2-CD2 3.8Å; L52-L130 HydrophobicContact CD2-CG 4.14Å; L58-L130 HydrophobicContact CD2-CD2 4.34Å; L130-R216 PolarHBondContact O-NH1 3.29Å; L130-V243 HydrophobicContact CD2-CG1 3.7Å; L130-I250 HydrophobicContact CD1-CB 4.39Å; L130-I250 HydrophobicContact CD1-CD1 4.38Å; L130-I250 HydrophobicContact CD1-CG2 3.58Å; L130-I250 HydrophobicContact CD2-CD1 4.37Å
131P96.8Very high94.7Very high4 Ų462.5 Ų62.53%0.02632%0.322CS..PPolyproline II helixtrans-57.4146162.6-19.133000110.1E136 I220 Q221 V243 V247P131-E136 HydrophobicContact CB-CB 3.96Å; P131-E136 HydrophobicContact CB-CG 4.23Å; P131-I220 HydrophobicContact CG-CG2 4.09Å; P131-Q221 WeakPolarHBondContact CD-O 3.46Å; P131-V243 HydrophobicContact CG-CG1 4.31Å; P131-V247 HydrophobicContact CB-CG1 4.07Å; P131-V247 HydrophobicContact CG-CG1 4.35Å; P131-V247 WeakPolarHBondContact O-CG1 3.21Å
132R93.8Very high94.6Very high172 Ų17260.9 Ų60.965%0.64932%0.317SS*.SBendtrans-78.6-29.3-178.1-65.4165.9172172.7-4112.2E136R132-E136 WeakPolarHBondContact CA-OE2 3.02Å; R132-E136 WeakPolarHBondContact CB-OE2 3.42Å; R132-E136 WeakPolarHBondContact CD-OE2 3.01Å; R132-E136 WeakPolarHBondContact CG-OE2 3.32Å; R132-E136 PolarHBondContact N-OE2 2.9Å
133S94.6Very high94.4Very high44 Ų4461.9 Ų61.931%0.30832%0.317SS..SBendtrans-147.9172.9179.169.40000110.8D135 E136S133-D135 PolarHBondContact O-N 3.17Å; S133-D135 PolarHBondContact OG-N 2.02Å; S133-E136 PolarHBondContact O-N 3.01Å
134A93.1Very high94.4Very high49 Ų4956.3 Ų56.341%0.40529%0.287SS..THydrogen-bonded Turntrans-61.4-20172.600000113.5Q137 S244A134-Q137 PolarHBondContact O-NE2 3.25Å; A134-S244 WeakPolarHBondContact CA-O 3.43Å
135D92.2Very high94.3Very high142 Ų14253 Ų5376%0.75927%0.272SS*.THydrogen-bonded Turntrans-87.2-14.8-178.6-49.9-52.5000113.3S133 Q137S133-D135 PolarHBondContact O-N 3.17Å; S133-D135 PolarHBondContact OG-N 2.02Å; D135-Q137 VanDerWaalsContact C-N 3.34Å; D135-Q137 PolarHBondContact O-N 2.96Å
136E93.8Very high94.1Very high36 Ų3652.8 Ų52.817%0.16827%0.271CS..  trans-80.882.1179.6-174174.7175.400110.6P131 R132 S133 R216 I220P131-E136 HydrophobicContact CB-CB 3.96Å; P131-E136 HydrophobicContact CB-CG 4.23Å; R132-E136 WeakPolarHBondContact CA-OE2 3.02Å; R132-E136 WeakPolarHBondContact CB-OE2 3.42Å; R132-E136 WeakPolarHBondContact CD-OE2 3.01Å; R132-E136 WeakPolarHBondContact CG-OE2 3.32Å; R132-E136 PolarHBondContact N-OE2 2.9Å; S133-E136 PolarHBondContact O-N 3.01Å; E136-R216 IonicContact OE1-CZ 2.76Å; E136-R216 IonicContact OE1-NH1 2.71Å; E136-R216 PolarHBondContact OE1-NH1 2.75Å; E136-R216 IonicContact OE2-NH1 2.79Å; E136-I220 VanDerWaalsContact OE1-CD1 3.24Å; E136-I220 WeakPolarHBondContact OE1-CD1 3.43Å
137Q88.9Confident93.9Very high68 Ų6852.1 Ų52.132%0.31827%0.266SS..PPolyproline II helixtrans-96.3152.4178.3-58.3-62.8-21.100111.5A134 D135 S244A134-Q137 PolarHBondContact O-NE2 3.25Å; D135-Q137 VanDerWaalsContact C-N 3.34Å; D135-Q137 PolarHBondContact O-N 2.96Å; Q137-S244 PolarHBondContact NE2-OG 3.36Å; Q137-S244 PolarHBondContact OE1-OG 2.83Å
138P90Very high93.6Very high10 Ų1051.4 Ų51.47%0.06526%0.262CS..PPolyproline II helixtrans-60.8146.4165.528.6-32.4000109.4V169 I189 H222P138-V169 HydrophobicContact CB-CG1 4.16Å; P138-V169 HydrophobicContact CB-CG2 4.19Å; P138-V169 HydrophobicContact CG-CG1 3.84Å; P138-V169 HydrophobicContact CG-CG2 4.45Å; P138-I189 HydrophobicContact CG-CD1 4.09Å; P138-H222 HydrophobicContact CB-CB 4.22Å; P138-H222 WeakPolarHBondContact CD-ND1 3.47Å; P138-H222 HydrophobicContact CG-CB 3.82Å
139K91.3Very high93.1Very high171 Ų17151.3 Ų51.374%0.74326%0.262SS*.PPolyproline II helixtrans-67.5140.1178-67.8-179.8-179.3-1790109.8N141 S142K139-N141 PolarHBondContact O-N 3.15Å; K139-S142 VanDerWaalsContact O-CB 3.25Å; K139-S142 WeakPolarHBondContact O-CB 3.5Å; K139-S142 PolarHBondContact O-N 3.44Å; K139-S142 VanDerWaalsContact O-N 3.16Å; K139-S142 PolarHBondContact O-OG 2.87Å
140N93.1Very high92.1Very high105 Ų10551.4 Ų51.456%0.56126%0.263SS*.THydrogen-bonded Turntrans-56.5140.2170.2-63.5-12.8000109.7S142N140-S142 PolarHBondContact O-N 2.76Å
141N92Very high90.7Very high118 Ų11853.7 Ų53.763%0.63127%0.27SS*.THydrogen-bonded Turntrans58.623.7-178.1-53.1-29.3000114.1K139 V168 V169K139-N141 PolarHBondContact O-N 3.15Å; N141-V168 HydrophobicContact CB-CG1 4.46Å; N141-V169 WeakPolarHBondContact CA-O 3.22Å; N141-V169 PolarHBondContact N-O 2.98Å
142S93.2Very high88.7Confident29 Ų2956.7 Ų56.720%0.20329%0.288CS..  trans-93.8155.9173.769.90000112.1K139 N140 V168 V169K139-S142 VanDerWaalsContact O-CB 3.25Å; K139-S142 WeakPolarHBondContact O-CB 3.5Å; K139-S142 PolarHBondContact O-N 3.44Å; K139-S142 VanDerWaalsContact O-N 3.16Å; K139-S142 PolarHBondContact O-OG 2.87Å; N140-S142 PolarHBondContact O-N 2.76Å; S142-V168 WeakPolarHBondContact O-CA 3.39Å; S142-V169 PolarHBondContact O-N 2.81Å
143I92.2Very high86.9Confident78 Ų7851.7 Ų51.740%0.429%0.29SS..EExtended strand (participates in β ladder)trans-80.3128.4176.7-57.8-60.2000110Y145 D166 V167 V168I143-Y145 HydrophobicContact CG2-CE2 3.87Å; I143-D166 HydrophobicContact CG2-CB 3.82Å; I143-V167 WeakPolarHBondContact CA-O 3.3Å; I143-V168 HydrophobicContact CD1-CG2 3.92Å
144A94.5Very high84.6Confident1 Ų158.6 Ų58.61%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-121.4168.1167.100000109.8D166 V167 V169 L209 V210A144-D166 CarbonylContact O-C 3.57Å; A144-D166 WeakPolarHBondContact O-CA 3.17Å; A144-V167 HydrophobicContact CB-CG2 4.36Å; A144-V167 PolarHBondContact N-O 3Å; A144-V167 PolarHBondContact O-N 2.77Å; A144-V169 HydrophobicContact CB-CG2 3.69Å; A144-L209 HydrophobicContact CB-CD1 3.59Å; A144-L209 HydrophobicContact CB-CG 3.93Å; A144-V210 CarbonylContact C-O 3.47Å; A144-V210 WeakPolarHBondContact CA-O 3.3Å
145Y93.9Very high82.9Confident22 Ų2258.3 Ų58.39%0.08631%0.313CS..EExtended strand (participates in β ladder)trans-122.6135.8-178.8-69.5-96.4000110L14 I17 W28 I143 V165 D166 L209 V210 W219L14-Y145 WeakPolarHBondContact CB-OH 3.43Å; L14-Y145 HydrophobicContact CD2-CD1 4.45Å; L14-Y145 HydrophobicContact CD2-CE1 3.8Å; L14-Y145 HydrophobicContact CD2-CE2 3.94Å; L14-Y145 PolarHBondContact O-OH 3.44Å; I17-Y145 HydrophobicContact CD1-CD1 4.31Å; I17-Y145 HydrophobicContact CD1-CE1 3.99Å; W28-Y145 HydrophobicContact CH2-CD1 4.39Å; W28-Y145 HydrophobicContact CH2-CD2 4.47Å; W28-Y145 AromaticContact CH2-CG 3.95Å; W28-Y145 HydrophobicContact CH2-CG 3.95Å; W28-Y145 HydrophobicContact CZ2-CD1 4.21Å; W28-Y145 HydrophobicContact CZ2-CG 4.21Å; I143-Y145 HydrophobicContact CG2-CE2 3.87Å; Y145-V165 WeakPolarHBondContact CA-O 3.4Å; Y145-D166 HydrophobicContact CD1-CB 4.18Å; Y145-D166 HydrophobicContact CE1-CB 3.76Å; Y145-L209 WeakPolarHBondContact O-CA 3.22Å; Y145-V210 PolarHBondContact N-O 2.85Å; Y145-V210 PolarHBondContact O-N 2.91Å; Y145-W219 AromaticContact CD2-CH2 3.81Å; Y145-W219 HydrophobicContact CD2-CH2 3.81Å; Y145-W219 AromaticContact CD2-CZ3 3.69Å; Y145-W219 HydrophobicContact CD2-CZ3 3.69Å; Y145-W219 HydrophobicContact CE2-CH2 4.01Å; Y145-W219 HydrophobicContact CE2-CZ3 4.27Å; Y145-W219 HydrophobicContact CG-CZ3 4.4Å
146V92.9Very high81.3Confident2 Ų260.6 Ų60.61%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-111.1144.6168.8-173.10000108Q164 V165 V167 L209 V225 Y240V146-Q164 VanDerWaalsContact O-CA 3.29Å; V146-Q164 WeakPolarHBondContact O-CA 3.43Å; V146-V165 HydrophobicContact CB-CG1 4Å; V146-V165 PolarHBondContact N-O 3.13Å; V146-V165 PolarHBondContact O-N 3.34Å; V146-V167 HydrophobicContact CG2-CG2 3.99Å; V146-L209 HydrophobicContact CG2-CB 4.5Å; V146-L209 HydrophobicContact CG2-CD1 3.42Å; V146-L209 VanDerWaalsContact CG2-CD1 3.42Å; V146-V225 HydrophobicContact CG1-CG2 3.85Å; V146-Y240 HydrophobicContact CG2-CE1 3.8Å; V146-Y240 WeakPolarHBondContact CG2-OH 3.24Å
147T93.2Very high80Confident2 Ų263.4 Ų63.41%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-134150179.447.10000108.8W28 H31 K163 Q164W28-T147 HydrophobicContact CB-CG2 4.32Å; W28-T147 HydrophobicContact CD2-CG2 3.66Å; W28-T147 HydrophobicContact CE3-CG2 4.4Å; W28-T147 HydrophobicContact CG-CG2 3.6Å; W28-T147 HydrophobicContact CZ2-CG2 4.29Å; H31-T147 VanDerWaalsContact CE1-C 3.48Å; H31-T147 PolarHBondContact CE1-O 2.91Å; H31-T147 PolarHBondContact ND1-OG1 2.86Å; T147-K163 VanDerWaalsContact CA-O 3.28Å; T147-K163 WeakPolarHBondContact CA-O 3.34Å; T147-Q164 HydrophobicContact CG2-CB 3.92Å
148G92.1Very high79.2Confident1 Ų161.7 Ų61.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans169.1177.5174.500000112.8K163 D204G148-K163 PolarHBondContact N-O 2.9Å; G148-K163 VanDerWaalsContact N-O 3.16Å; G148-K163 PolarHBondContact O-N 3.08Å; G148-D204 WeakPolarHBondContact CA-OD1 3.09Å
149W89.1Confident78.8Confident1 Ų161.8 Ų61.80%0.00433%0.329CS..  trans-107.220.1175.4-65.5-84.3000110.9H31 A33 Y45 F80 H82 A158 S159 T161 L162 D204H31-W149 AromaticContact CD2-CE3 3.96Å; H31-W149 AromaticContact CD2-CH2 3.7Å; H31-W149 AromaticContact CD2-CZ3 3.23Å; H31-W149 WeakPolarHBondContact CD2-CZ3 3.41Å; H31-W149 AromaticContact NE2-CE3 3.92Å; H31-W149 AromaticContact NE2-CZ3 3.61Å; A33-W149 HydrophobicContact CB-CE3 3.93Å; A33-W149 HydrophobicContact CB-CH2 4.11Å; A33-W149 HydrophobicContact CB-CZ3 3.51Å; Y45-W149 HydrophobicContact CE1-CB 4.46Å; Y45-W149 HydrophobicContact CE2-CE3 4.07Å; F80-W149 PolarHBondContact O-NE1 3.25Å; F80-W149 VanDerWaalsContact O-NE1 3.07Å; H82-W149 HydrophobicContact CB-CD2 3.82Å; H82-W149 HydrophobicContact CB-CE3 4.44Å; H82-W149 HydrophobicContact CB-CG 3.91Å; H82-W149 HydrophobicContact CB-CZ2 4.28Å; H82-W149 AromaticContact CD2-CD1 3.5Å; H82-W149 VanDerWaalsContact CD2-CD1 3.5Å; H82-W149 AromaticContact CD2-CG 3.69Å; H82-W149 AromaticContact CG-CG 4Å; W149-A158 CarbonylContact O-C 3.48Å; W149-A158 WeakPolarHBondContact O-CA 3.34Å; W149-A158 WeakPolarHBondContact O-CB 3.14Å; W149-S159 WeakPolarHBondContact CB-O 2.85Å; W149-S159 VanDerWaalsContact CD1-O 3.22Å; W149-S159 PolarHBondContact O-N 3.34Å; W149-T161 VanDerWaalsContact CD1-O 3.32Å; W149-L162 HydrophobicContact CD2-CD1 3.83Å; W149-L162 HydrophobicContact CE3-CD1 4.04Å; W149-L162 HydrophobicContact CG-CD1 4.46Å; W149-L162 HydrophobicContact CH2-CD1 4.02Å; W149-L162 HydrophobicContact CZ2-CB 4.01Å; W149-L162 HydrophobicContact CZ2-CD1 3.78Å; W149-L162 HydrophobicContact CZ2-CG 4.37Å; W149-L162 HydrophobicContact CZ3-CD1 4.14Å; W149-L162 VanDerWaalsContact NE1-CA 3.31Å; W149-D204 PolarHBondContact N-OD1 2.86Å
150G75.5Confident78.6Confident3 Ų358.2 Ų58.23%0.03132%0.315CS..  trans-55.4170178.500000113.8S159 Q202 D204G150-S159 PolarHBondContact O-N 3.4Å; G150-Q202 CarbonylContact C-O 3.53Å; G150-Q202 WeakPolarHBondContact CA-O 3.43Å; G150-D204 VanDerWaalsContact CA-OD1 3.29Å; G150-D204 WeakPolarHBondContact CA-OD1 2.96Å; G150-D204 PolarHBondContact N-OD1 3.43Å
151R68.1Low78.5Confident70 Ų7054.2 Ų54.226%0.26429%0.294SS..BIsolated β-bridgetrans-54.4138173.3-70.9-176.1176.5165.3-0.9109.4S155 W156 C201 Q202R151-S155 VanDerWaalsContact CB-O 3.28Å; R151-S155 WeakPolarHBondContact CB-O 3.38Å; R151-S155 VanDerWaalsContact CD-O 3.22Å; R151-S155 WeakPolarHBondContact CD-O 3.15Å; R151-S155 WeakPolarHBondContact CG-O 3.47Å; R151-W156 VanDerWaalsContact NE-C 3.33Å; R151-W156 PolarHBondContact NE-O 3.31Å; R151-W156 PolarHBondContact NH2-O 2.75Å; R151-C201 WeakPolarHBondContact O-CB 3.41Å; R151-Q202 HydrophobicContact CG-CB 4.38Å; R151-Q202 PolarHBondContact N-O 2.87Å
152T55.9Low78.5Confident66 Ų6648.9 Ų48.941%0.40527%0.266SS..  trans-110.6119.3175.551.80000108.7S155 K163T152-S155 WeakPolarHBondContact O-CB 3.31Å; T152-S155 PolarHBondContact O-N 2.95Å; T152-K163 HydrophobicContact CG2-CG 4.11Å
153G55.3Low78.4Confident68 Ų6850 Ų5070%0.70127%0.267SS*.THydrogen-bonded Turntrans59.5-138.1-174.700000112.4S155G153-S155 PolarHBondContact O-N 2.03Å
154E46.5Very low78.4Confident189 Ų18946.4 Ų46.488%0.88325%0.248SC*.THydrogen-bonded Turntrans-77.63.7177.4-59.8179174.900113.5W156E154-W156 PolarHBondContact O-N 2.88Å
155S56.6Low78Confident43 Ų4346.8 Ų46.830%0.30125%0.251SS..  trans-65.5127.2179.6-1790000110.7R151 T152 G153 T157R151-S155 VanDerWaalsContact CB-O 3.28Å; R151-S155 WeakPolarHBondContact CB-O 3.38Å; R151-S155 VanDerWaalsContact CD-O 3.22Å; R151-S155 WeakPolarHBondContact CD-O 3.15Å; R151-S155 WeakPolarHBondContact CG-O 3.47Å; T152-S155 WeakPolarHBondContact O-CB 3.31Å; T152-S155 PolarHBondContact O-N 2.95Å; G153-S155 PolarHBondContact O-N 2.03Å; S155-T157 PolarHBondContact O-N 2.93Å; S155-T157 PolarHBondContact OG-N 2.78Å; S155-T157 PolarHBondContact OG-O 2.98Å; S155-T157 PolarHBondContact OG-OG1 3.31Å
156W58.7Low77.8Confident189 Ų18946.4 Ų46.472%0.71625%0.25SS*.SBendtrans-72.1-10.7174.4-62.399.2000113.5R151 E154R151-W156 VanDerWaalsContact NE-C 3.33Å; R151-W156 PolarHBondContact NE-O 3.31Å; R151-W156 PolarHBondContact NH2-O 2.75Å; E154-W156 PolarHBondContact O-N 2.88Å
157T66.5Low77.7Confident95 Ų9546.4 Ų46.458%0.58325%0.25SS*.SBendtrans-109.1145-175.364.90000112.5S155S155-T157 PolarHBondContact O-N 2.93Å; S155-T157 PolarHBondContact OG-N 2.78Å; S155-T157 PolarHBondContact OG-O 2.98Å; S155-T157 PolarHBondContact OG-OG1 3.31Å
158A72.8Confident77.6Confident33 Ų3348.1 Ų48.127%0.27326%0.261SS..BIsolated β-bridgetrans-50.9143.1166.200000111Y45 W149Y45-A158 HydrophobicContact CD1-CB 4.18Å; W149-A158 CarbonylContact O-C 3.48Å; W149-A158 WeakPolarHBondContact O-CA 3.34Å; W149-A158 WeakPolarHBondContact O-CB 3.14Å
159S81.5Confident77.7Confident12 Ų1248.2 Ų48.28%0.08426%0.261CS..  trans-66.5132171.6172.90000110.1H82 W149 G150 T161 K163H82-S159 PolarHBondContact CD2-O 3.15Å; H82-S159 PolarHBondContact NE2-O 3.24Å; W149-S159 WeakPolarHBondContact CB-O 2.85Å; W149-S159 VanDerWaalsContact CD1-O 3.22Å; W149-S159 PolarHBondContact O-N 3.34Å; G150-S159 PolarHBondContact O-N 3.4Å; S159-T161 VanDerWaalsContact C-N 3.32Å; S159-T161 WeakPolarHBondContact CB-O 3.1Å; S159-T161 PolarHBondContact O-N 3.02Å; S159-T161 PolarHBondContact OG-N 2.86Å; S159-T161 PolarHBondContact OG-O 3.03Å; S159-K163 WeakPolarHBondContact OG-CE 3.4Å
160H86.2Confident78Confident95 Ų9548.7 Ų48.744%0.4426%0.263SS..SBendtrans-64-38.7177-174.1-163.8000112.2R81 H82 D84R81-H160 VanDerWaalsContact CA-O 3.25Å; R81-H160 WeakPolarHBondContact CA-O 3.43Å; H82-H160 PolarHBondContact CD2-O 3.17Å; H82-H160 PolarHBondContact N-O 2.95Å; H82-H160 VanDerWaalsContact N-O 3.09Å; H82-H160 PolarHBondContact O-CD2 2.98Å; D84-H160 VanDerWaalsContact CG-NE2 3.33Å; D84-H160 IonicContact OD1-CD2 2.8Å; D84-H160 IonicContact OD1-CE1 3.51Å; D84-H160 IonicContact OD1-NE2 3.44Å; D84-H160 PolarHBondContact OD1-NE2 3.02Å; D84-H160 IonicContact OD2-CE1 3.73Å; D84-H160 IonicContact OD2-NE2 2.67Å; D84-H160 PolarHBondContact OD2-NE2 3.45Å
161T91.4Very high78.9Confident22 Ų2249.8 Ų49.814%0.13527%0.27CS..BIsolated β-bridgetrans-95147.8178.350.60000111.7D22 F80 R81 W149 S159 K163D22-T161 PolarHBondContact OD1-OG1 2.69Å; F80-T161 HydrophobicContact CD1-CG2 4.34Å; F80-T161 HydrophobicContact CE1-CG2 3.53Å; F80-T161 HydrophobicContact CZ-CG2 3.73Å; R81-T161 HydrophobicContact CG-CG2 4.14Å; W149-T161 VanDerWaalsContact CD1-O 3.32Å; S159-T161 VanDerWaalsContact C-N 3.32Å; S159-T161 WeakPolarHBondContact CB-O 3.1Å; S159-T161 PolarHBondContact O-N 3.02Å; S159-T161 PolarHBondContact OG-N 2.86Å; S159-T161 PolarHBondContact OG-O 3.03Å; T161-K163 PolarHBondContact O-N 3.07Å
162L93Very high80.1Confident6 Ų648.5 Ų48.53%0.03128%0.275CS..PPolyproline II helixtrans-65122.9176.2-176.470.4000109A23 W28 H31 F80 W149A23-L162 HydrophobicContact CB-CB 4.4Å; A23-L162 HydrophobicContact CB-CD2 4.17Å; A23-L162 HydrophobicContact CB-CG 4.24Å; A23-L162 WeakPolarHBondContact CB-O 3.3Å; A23-L162 PolarHBondContact N-O 3.15Å; W28-L162 HydrophobicContact CB-CD2 4.08Å; W28-L162 HydrophobicContact CG-CD2 4.48Å; H31-L162 HydrophobicContact CB-CD2 4.48Å; F80-L162 HydrophobicContact CD2-CB 4.07Å; F80-L162 HydrophobicContact CE2-CB 4.37Å; F80-L162 PolarHBondContact O-N 2.86Å; W149-L162 HydrophobicContact CD2-CD1 3.83Å; W149-L162 HydrophobicContact CE3-CD1 4.04Å; W149-L162 HydrophobicContact CG-CD1 4.46Å; W149-L162 HydrophobicContact CH2-CD1 4.02Å; W149-L162 HydrophobicContact CZ2-CB 4.01Å; W149-L162 HydrophobicContact CZ2-CD1 3.78Å; W149-L162 HydrophobicContact CZ2-CG 4.37Å; W149-L162 HydrophobicContact CZ3-CD1 4.14Å; W149-L162 VanDerWaalsContact NE1-CA 3.31Å
163K91.2Very high81.9Confident51 Ų5151 Ų5122%0.22229%0.286CS..EExtended strand (participates in β ladder)trans-95.2157.9175.1-57.7-65.9177.5171.10110.5R21 D22 T147 G148 T152 S159 T161R21-K163 CarbonylContact O-C 3.59Å; R21-K163 VanDerWaalsContact O-CA 3.25Å; R21-K163 WeakPolarHBondContact O-CA 3.38Å; D22-K163 WeakPolarHBondContact OD1-CD 3.26Å; D22-K163 WeakPolarHBondContact OD1-CE 3.46Å; D22-K163 IonicContact OD1-NZ 3.5Å; D22-K163 PolarHBondContact OD1-NZ 2.87Å; T147-K163 VanDerWaalsContact CA-O 3.28Å; T147-K163 WeakPolarHBondContact CA-O 3.34Å; G148-K163 PolarHBondContact N-O 2.9Å; G148-K163 VanDerWaalsContact N-O 3.16Å; G148-K163 PolarHBondContact O-N 3.08Å; T152-K163 HydrophobicContact CG2-CG 4.11Å; S159-K163 WeakPolarHBondContact OG-CE 3.4Å; T161-K163 PolarHBondContact O-N 3.07Å
164Q90.7Very high83.7Confident3 Ų350.6 Ų50.61%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-138.7147.7170.258169.880.300110.6N13 I17 G20 R21 A23 V146 T147N13-Q164 PolarHBondContact O-NE2 3.23Å; I17-Q164 HydrophobicContact CD1-CG 3.96Å; G20-Q164 WeakPolarHBondContact CA-O 3.44Å; R21-Q164 HydrophobicContact CG-CG 4.1Å; R21-Q164 PolarHBondContact N-O 2.71Å; R21-Q164 PolarHBondContact O-N 2.94Å; A23-Q164 HydrophobicContact CB-CB 4.36Å; A23-Q164 HydrophobicContact CB-CG 4.05Å; V146-Q164 VanDerWaalsContact O-CA 3.29Å; V146-Q164 WeakPolarHBondContact O-CA 3.43Å; T147-Q164 HydrophobicContact CG2-CB 3.92Å
165V87.4Confident85.8Confident9 Ų941.6 Ų41.66%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-140.9143.6175.164.70000109.9Y145 V146 V167 K198Y145-V165 WeakPolarHBondContact CA-O 3.4Å; V146-V165 HydrophobicContact CB-CG1 4Å; V146-V165 PolarHBondContact N-O 3.13Å; V146-V165 PolarHBondContact O-N 3.34Å; V165-V167 HydrophobicContact CG1-CG1 4.31Å; V165-K198 HydrophobicContact CG2-CB 3.72Å; V165-K198 HydrophobicContact CG2-CD 4.13Å; V165-K198 HydrophobicContact CG2-CG 4.06Å
166D89.4Confident87.5Confident15 Ų1542.7 Ų42.78%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-91.1132.7170.168-59.4000110.2I17 I143 A144 Y145 K198I17-D166 WeakPolarHBondContact CA-OD1 3.48Å; I17-D166 WeakPolarHBondContact CB-OD1 2.97Å; I17-D166 PolarHBondContact N-OD1 2.93Å; I143-D166 HydrophobicContact CG2-CB 3.82Å; A144-D166 CarbonylContact O-C 3.57Å; A144-D166 WeakPolarHBondContact O-CA 3.17Å; Y145-D166 HydrophobicContact CD1-CB 4.18Å; Y145-D166 HydrophobicContact CE1-CB 3.76Å; D166-K198 WeakPolarHBondContact O-CD 3.41Å; D166-K198 IonicContact OD1-NZ 3.22Å; D166-K198 PolarHBondContact OD1-NZ 2.84Å; D166-K198 IonicContact OD2-NZ 3.74Å; D166-K198 PolarHBondContact OD2-NZ 2.79Å
167V90.2Very high89Confident2 Ų237.6 Ų37.61%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-130.1151.6180-66.40000110.2I143 A144 V146 V165 A191 L209I143-V167 WeakPolarHBondContact CA-O 3.3Å; A144-V167 HydrophobicContact CB-CG2 4.36Å; A144-V167 PolarHBondContact N-O 3Å; A144-V167 PolarHBondContact O-N 2.77Å; V146-V167 HydrophobicContact CG2-CG2 3.99Å; V165-V167 HydrophobicContact CG1-CG1 4.31Å; V167-A191 HydrophobicContact CB-CB 4.26Å; V167-A191 HydrophobicContact CG2-CB 3.8Å; V167-L209 HydrophobicContact CG2-CD1 3.54Å
168V92.2Very high90Very high38 Ų3833.2 Ų33.223%0.2318%0.178CC..EExtended strand (participates in β ladder)trans-87.5127.5172.8-179.20000108.6N141 S142 I143 Y170 A191 G192N141-V168 HydrophobicContact CB-CG1 4.46Å; S142-V168 WeakPolarHBondContact O-CA 3.39Å; I143-V168 HydrophobicContact CD1-CG2 3.92Å; V168-Y170 HydrophobicContact CG1-CE1 4.37Å; V168-A191 CarbonylContact O-C 3.13Å; V168-A191 WeakPolarHBondContact O-CA 3.4Å; V168-A191 WeakPolarHBondContact O-CB 3.48Å; V168-G192 PolarHBondContact N-O 3.47Å; V168-G192 PolarHBondContact O-N 2.7Å
169V94.3Very high90.7Very high3 Ų331.9 Ų31.92%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-78.2120171.1178.60000109.3P138 N141 S142 A144 I189 A191P138-V169 HydrophobicContact CB-CG1 4.16Å; P138-V169 HydrophobicContact CB-CG2 4.19Å; P138-V169 HydrophobicContact CG-CG1 3.84Å; P138-V169 HydrophobicContact CG-CG2 4.45Å; N141-V169 WeakPolarHBondContact CA-O 3.22Å; N141-V169 PolarHBondContact N-O 2.98Å; S142-V169 PolarHBondContact O-N 2.81Å; A144-V169 HydrophobicContact CB-CG2 3.69Å; V169-I189 HydrophobicContact CG1-CG2 3.78Å; V169-A191 HydrophobicContact CG2-CB 4.43Å
170Y94.2Very high91.1Very high10 Ų1034.1 Ų34.14%0.03918%0.177CC..PPolyproline II helixtrans-83155.3-179.2-66.7-61.7000112.8V168 R174 F178 C190 A193 D194 P237V168-Y170 HydrophobicContact CG1-CE1 4.37Å; Y170-R174 HydrophobicContact CD1-CB 4.49Å; Y170-R174 HydrophobicContact CD1-CG 3.67Å; Y170-R174 HydrophobicContact CE1-CG 4.37Å; Y170-R174 HydrophobicContact CG-CG 4Å; Y170-F178 HydrophobicContact CD2-CE2 4.19Å; Y170-F178 HydrophobicContact CE2-CE2 4.21Å; Y170-F178 HydrophobicContact CG-CE2 4.4Å; Y170-C190 HydrophobicContact CD2-CB 4.15Å; Y170-C190 PolarHBondContact N-O 2.8Å; Y170-A193 WeakPolarHBondContact OH-CA 3.19Å; Y170-D194 PolarHBondContact OH-N 2.97Å; Y170-D194 PolarHBondContact OH-OD1 2.81Å; Y170-P237 HydrophobicContact CD2-CB 3.87Å; Y170-P237 HydrophobicContact CD2-CG 4.1Å; Y170-P237 HydrophobicContact CE2-CB 3.51Å; Y170-P237 HydrophobicContact CE2-CG 4Å
171S94.8Very high91.2Very high27 Ų2735.5 Ų35.519%0.18918%0.183CC..PPolyproline II helixtrans-65.6161167.766.90000111.2D173 R174 C175S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 2.76Å; S171-R174 PolarHBondContact O-N 3.05Å; S171-R174 WeakPolarHBondContact OG-CB 3.12Å; S171-R174 PolarHBondContact OG-N 2.99Å; S171-C175 WeakPolarHBondContact O-CB 3.46Å; S171-C175 PolarHBondContact O-N 2.91Å
172A93.9Very high91.1Very high43 Ų4336.5 Ų36.536%0.35519%0.185SC..Hα-helixtrans-54.6-49.5173.500000111.1R174 C175 H176 T185A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 2.87Å; A172-C175 WeakPolarHBondContact O-CA 3.45Å; A172-C175 VanDerWaalsContact O-CB 3.3Å; A172-C175 WeakPolarHBondContact O-CB 3.32Å; A172-C175 PolarHBondContact O-N 3.31Å; A172-C175 VanDerWaalsContact O-N 3.09Å; A172-H176 PolarHBondContact O-CD2 2.53Å; A172-H176 PolarHBondContact O-N 3.11Å; A172-T185 HydrophobicContact CB-CG2 3.89Å
173D93.9Very high91.1Very high119 Ų11936.4 Ų36.464%0.63619%0.185SC*.Hα-helixtrans-57.7-41.7179.6-61-20.2000112.5S171 H176 Q177S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 2.76Å; D173-H176 PolarHBondContact O-N 3.16Å; D173-Q177 WeakPolarHBondContact O-CG 3.45Å; D173-Q177 PolarHBondContact O-N 2.87Å
174R91.4Very high91.3Very high58 Ų5835.8 Ų35.822%0.21918%0.184CC..Hα-helixtrans-68.9-38.1178-175.259.5169.7167.66.6111.3Y170 S171 A172 Q177 F178 D194 D235Y170-R174 HydrophobicContact CD1-CB 4.49Å; Y170-R174 HydrophobicContact CD1-CG 3.67Å; Y170-R174 HydrophobicContact CE1-CG 4.37Å; Y170-R174 HydrophobicContact CG-CG 4Å; S171-R174 PolarHBondContact O-N 3.05Å; S171-R174 WeakPolarHBondContact OG-CB 3.12Å; S171-R174 PolarHBondContact OG-N 2.99Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 2.87Å; R174-Q177 WeakPolarHBondContact O-CB 3.49Å; R174-Q177 PolarHBondContact O-N 2.94Å; R174-F178 HydrophobicContact CG-CD2 4.39Å; R174-F178 HydrophobicContact CG-CE2 3.7Å; R174-F178 HydrophobicContact CG-CZ 4.3Å; R174-F178 VanDerWaalsContact CZ-CZ 3.47Å; R174-F178 VanDerWaalsContact NE-CZ 3.33Å; R174-F178 WeakPolarHBondContact O-CD2 3.37Å; R174-F178 PolarHBondContact O-N 2.84Å; R174-D194 IonicContact CZ-OD1 3.64Å; R174-D194 IonicContact NE-OD1 2.94Å; R174-D194 IonicContact NH2-OD1 3.86Å; R174-D194 PolarHBondContact NH2-OD1 3.4Å; R174-D235 IonicContact NH2-OD1 3.02Å
175C92Very high91.5Very high1 Ų136.6 Ų36.61%0.00719%0.189CC..Hα-helixtrans-60.3-44.7172.1-168.20000111.6S171 A172 Q177 F178 Y179 T185 C190S171-C175 WeakPolarHBondContact O-CB 3.46Å; S171-C175 PolarHBondContact O-N 2.91Å; A172-C175 WeakPolarHBondContact O-CA 3.45Å; A172-C175 VanDerWaalsContact O-CB 3.3Å; A172-C175 WeakPolarHBondContact O-CB 3.32Å; A172-C175 PolarHBondContact O-N 3.31Å; A172-C175 VanDerWaalsContact O-N 3.09Å; C175-Q177 VanDerWaalsContact C-N 3.31Å; C175-Q177 PolarHBondContact O-N 3.4Å; C175-F178 PolarHBondContact O-N 3.19Å; C175-Y179 PolarHBondContact O-N 2.78Å; C175-T185 HydrophobicContact CB-CG2 4.09Å; C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.59Å; C175-C190 WeakPolarHBondContact CB-SG 3.25Å; C175-C190 WeakPolarHBondContact SG-CB 3.38Å; C175-C190 CovalentContact SG-SG 2.03Å; C175-C190 PolarHBondContact SG-SG 2.79Å
176H92.4Very high91.9Very high66 Ų6642 Ų4231%0.30622%0.218SC..Hα-helixtrans-66.5-27.9174.1-79.7-80.2000113.1A172 D173 F178 D180 V183 T185A172-H176 PolarHBondContact O-CD2 2.53Å; A172-H176 PolarHBondContact O-N 3.11Å; D173-H176 PolarHBondContact O-N 3.16Å; H176-F178 VanDerWaalsContact C-N 3.32Å; H176-D180 PolarHBondContact ND1-O 3.07Å; H176-D180 WeakPolarHBondContact O-CA 3.02Å; H176-D180 PolarHBondContact O-N 2.91Å; H176-V183 PolarHBondContact CE1-O 3.01Å; H176-V183 VanDerWaalsContact CE1-O 3.3Å; H176-T185 WeakPolarHBondContact NE2-CG2 3.34Å; H176-T185 PolarHBondContact NE2-OG1 2.92Å
177Q90.2Very high92.2Very high82 Ų8241.6 Ų41.638%0.38322%0.216SC..Hα-helixtrans-63-41172.7-74.4168.613.100111.6D173 R174 C175 L314D173-Q177 WeakPolarHBondContact O-CG 3.45Å; D173-Q177 PolarHBondContact O-N 2.87Å; R174-Q177 WeakPolarHBondContact O-CB 3.49Å; R174-Q177 PolarHBondContact O-N 2.94Å; C175-Q177 VanDerWaalsContact C-N 3.31Å; C175-Q177 PolarHBondContact O-N 3.4Å; Q177-L314 WeakPolarHBondContact O-CD2 3.49Å
178F86.1Confident92.6Very high3 Ų341.7 Ų41.71%0.01322%0.216CC..Hα-helixtrans-74.9-42.5179.9-62.8-58.8000113.5Y170 R174 C175 H176 D235 P237 L314Y170-F178 HydrophobicContact CD2-CE2 4.19Å; Y170-F178 HydrophobicContact CE2-CE2 4.21Å; Y170-F178 HydrophobicContact CG-CE2 4.4Å; R174-F178 HydrophobicContact CG-CD2 4.39Å; R174-F178 HydrophobicContact CG-CE2 3.7Å; R174-F178 HydrophobicContact CG-CZ 4.3Å; R174-F178 VanDerWaalsContact CZ-CZ 3.47Å; R174-F178 VanDerWaalsContact NE-CZ 3.33Å; R174-F178 WeakPolarHBondContact O-CD2 3.37Å; R174-F178 PolarHBondContact O-N 2.84Å; C175-F178 PolarHBondContact O-N 3.19Å; H176-F178 VanDerWaalsContact C-N 3.32Å; F178-D235 HydrophobicContact CD1-CB 4.33Å; F178-D235 WeakPolarHBondContact CD1-O 3.29Å; F178-D235 HydrophobicContact CE1-CB 3.86Å; F178-P237 HydrophobicContact CB-CG 4.42Å; F178-P237 HydrophobicContact CD2-CG 3.45Å; F178-P237 VanDerWaalsContact CD2-CG 3.45Å; F178-P237 HydrophobicContact CE2-CG 3.71Å; F178-P237 HydrophobicContact CG-CG 3.98Å; F178-P237 HydrophobicContact CZ-CG 4.46Å; F178-L314 HydrophobicContact CD1-CD1 3.83Å; F178-L314 HydrophobicContact CD1-CD2 3.83Å; F178-L314 HydrophobicContact CD1-CG 4.49Å; F178-L314 HydrophobicContact CE1-CD2 4.39Å
179Y88.3Confident92.7Very high5 Ų540.3 Ų40.32%0.0221%0.207CC..Hα-helixtrans-120.1-3.5-167.5-63.9-60.3000114.9C175 H181 Y182 V183 W227 P237 V239 F305C175-Y179 PolarHBondContact O-N 2.78Å; Y179-H181 PolarHBondContact O-N 3.06Å; Y179-Y182 WeakPolarHBondContact O-CB 3.48Å; Y179-Y182 WeakPolarHBondContact O-CD2 3.49Å; Y179-Y182 PolarHBondContact O-N 3.09Å; Y179-V183 VanDerWaalsContact CB-CG1 3.49Å; Y179-V183 HydrophobicContact CD2-CG1 3.73Å; Y179-V183 HydrophobicContact CG-CG1 3.85Å; Y179-W227 AromaticContact CD1-CH2 3.86Å; Y179-W227 HydrophobicContact CD1-CH2 3.86Å; Y179-W227 HydrophobicContact CD1-CZ3 4.19Å; Y179-W227 HydrophobicContact CE1-CH2 4.15Å; Y179-W227 HydrophobicContact CE1-CZ3 4.06Å; Y179-W227 HydrophobicContact CG-CH2 4.1Å; Y179-P237 HydrophobicContact CE2-CG 3.96Å; Y179-P237 WeakPolarHBondContact CE2-O 3.26Å; Y179-P237 PolarHBondContact OH-O 2.87Å; Y179-V239 HydrophobicContact CD2-CG2 3.84Å; Y179-V239 HydrophobicContact CE2-CG2 3.39Å; Y179-F305 AromaticContact CD1-CE2 3.66Å; Y179-F305 HydrophobicContact CD1-CE2 3.66Å; Y179-F305 AromaticContact CD1-CZ 3.78Å; Y179-F305 HydrophobicContact CD1-CZ 3.78Å; Y179-F305 HydrophobicContact CE1-CE2 4.14Å; Y179-F305 AromaticContact CE1-CZ 3.76Å; Y179-F305 HydrophobicContact CE1-CZ 3.76Å
180D88.9Confident92.7Very high58 Ų5840.2 Ų40.231%0.3121%0.207SC..G310 helixtrans50.4-132.6179.6-170.533.9000110.8H176 Y182 V183 M310 R313H176-D180 PolarHBondContact ND1-O 3.07Å; H176-D180 WeakPolarHBondContact O-CA 3.02Å; H176-D180 PolarHBondContact O-N 2.91Å; D180-Y182 PolarHBondContact O-N 3.17Å; D180-V183 WeakPolarHBondContact O-CG2 3.4Å; D180-M310 HydrophobicContact CB-CE 4.36Å; D180-R313 IonicContact OD2-NH1 3.78Å; D180-R313 PolarHBondContact OD2-NH1 3.06Å
181H89.6Confident92.5Very high125 Ų12539.8 Ų39.858%0.57921%0.205SC*.G310 helixtrans-72.7-2.8-178.765.2-81.8000115.1Y179 V183Y179-H181 PolarHBondContact O-N 3.06Å; H181-V183 VanDerWaalsContact C-N 3.27Å
182Y89.1Confident92.2Very high42 Ų4238.5 Ų38.517%0.16520%0.197CC..G310 helixtrans-77.9-14.7177.8-68.1-92.8000112.8Y179 D180 P302 G304 F305 M310Y179-Y182 WeakPolarHBondContact O-CB 3.48Å; Y179-Y182 WeakPolarHBondContact O-CD2 3.49Å; Y179-Y182 PolarHBondContact O-N 3.09Å; D180-Y182 PolarHBondContact O-N 3.17Å; Y182-P302 HydrophobicContact CD1-CB 4.31Å; Y182-G304 WeakPolarHBondContact CE1-O 3.43Å; Y182-G304 PolarHBondContact OH-O 3.06Å; Y182-F305 HydrophobicContact CD1-CB 4Å; Y182-F305 AromaticContact CD1-CD2 3.83Å; Y182-F305 HydrophobicContact CD1-CD2 3.83Å; Y182-F305 HydrophobicContact CD1-CG 4.43Å; Y182-F305 HydrophobicContact CD2-CD2 4.13Å; Y182-F305 VanDerWaalsContact CE1-CA 3.43Å; Y182-F305 HydrophobicContact CE1-CB 3.94Å; Y182-F305 HydrophobicContact CE1-CD2 4.2Å; Y182-F305 HydrophobicContact CE2-CD2 4.47Å; Y182-F305 AromaticContact CG-CD2 3.76Å; Y182-F305 HydrophobicContact CG-CD2 3.76Å; Y182-F305 HydrophobicContact CG-CE2 4.47Å; Y182-M310 HydrophobicContact CD2-CE 3.18Å; Y182-M310 HydrophobicContact CE2-CE 3.05Å; Y182-M310 HydrophobicContact CG-CE 4.37Å
183V92.7Very high91.6Very high5 Ų537.5 Ų37.53%0.0319%0.188CC..  trans-107.3132.7174.2-72.20000111.4H176 Y179 D180 H181 M188 W227 V239H176-V183 PolarHBondContact CE1-O 3.01Å; H176-V183 VanDerWaalsContact CE1-O 3.3Å; Y179-V183 VanDerWaalsContact CB-CG1 3.49Å; Y179-V183 HydrophobicContact CD2-CG1 3.73Å; Y179-V183 HydrophobicContact CG-CG1 3.85Å; D180-V183 WeakPolarHBondContact O-CG2 3.4Å; H181-V183 VanDerWaalsContact C-N 3.27Å; V183-M188 HydrophobicContact CB-SD 4.37Å; V183-M188 HydrophobicContact CG1-SD 4.27Å; V183-W227 HydrophobicContact CG1-CH2 4.26Å; V183-W227 HydrophobicContact CG1-CZ2 3.75Å; V183-V239 HydrophobicContact CG1-CG1 4.29Å; V183-V239 HydrophobicContact CG1-CG2 4.2Å
184N95.6Very high90.5Very high38 Ų3835.5 Ų35.520%0.20318%0.177CC..  trans-106.195.8167.7-176.8-14000109.1E107 D186 V187 M188E107-N184 HydrophobicContact CG-CB 4.23Å; E107-N184 WeakPolarHBondContact OE1-CB 3.44Å; E107-N184 PolarHBondContact OE1-ND2 2.85Å; N184-D186 PolarHBondContact O-N 2.83Å; N184-D186 WeakPolarHBondContact OD1-CB 3.43Å; N184-D186 PolarHBondContact OD1-N 2.89Å; N184-D186 VanDerWaalsContact OD1-N 3.1Å; N184-V187 HydrophobicContact CB-CG2 4.05Å; N184-V187 CarbonylContact O-C 3.57Å; N184-V187 PolarHBondContact O-N 3.48Å; N184-M188 WeakPolarHBondContact O-CB 3.47Å; N184-M188 PolarHBondContact O-N 2.71Å
185T95.1Very high89.4Confident20 Ų2040.6 Ų40.612%0.12320%0.203CC..THydrogen-bonded Turntrans-67.1-3.6-176.1510000113.9A172 C175 H176 V187 K242A172-T185 HydrophobicContact CB-CG2 3.89Å; C175-T185 HydrophobicContact CB-CG2 4.09Å; H176-T185 WeakPolarHBondContact NE2-CG2 3.34Å; H176-T185 PolarHBondContact NE2-OG1 2.92Å; T185-V187 VanDerWaalsContact C-N 3.31Å; T185-K242 WeakPolarHBondContact O-CE 3.24Å; T185-K242 PolarHBondContact O-NZ 3.26Å
186D95.5Very high88.2Confident122 Ų12240.9 Ų40.965%0.65221%0.207SC*.THydrogen-bonded Turntrans-75.2-25168.9-65.7-22000112N184 K242 S245N184-D186 PolarHBondContact O-N 2.83Å; N184-D186 WeakPolarHBondContact OD1-CB 3.43Å; N184-D186 PolarHBondContact OD1-N 2.89Å; N184-D186 VanDerWaalsContact OD1-N 3.1Å; D186-K242 WeakPolarHBondContact O-CD 3.25Å; D186-S245 WeakPolarHBondContact O-CB 3.24Å
187V96.8Very high86.6Confident7 Ų739.6 Ų39.64%0.04221%0.212CC..THydrogen-bonded Turntrans-1300.4-177.2-610000113.9E107 R108 N184 T185 K242 F246E107-V187 HydrophobicContact CB-CG2 4.24Å; E107-V187 HydrophobicContact CG-CG2 4.11Å; R108-V187 HydrophobicContact CG-CB 4.04Å; R108-V187 HydrophobicContact CG-CG1 3.97Å; R108-V187 HydrophobicContact CG-CG2 4.2Å; N184-V187 HydrophobicContact CB-CG2 4.05Å; N184-V187 CarbonylContact O-C 3.57Å; N184-V187 PolarHBondContact O-N 3.48Å; T185-V187 VanDerWaalsContact C-N 3.31Å; V187-K242 VanDerWaalsContact O-CB 3.31Å; V187-K242 WeakPolarHBondContact O-CB 3.4Å; V187-K242 PolarHBondContact O-N 2.84Å; V187-F246 HydrophobicContact CB-CE1 4.28Å; V187-F246 HydrophobicContact CB-CZ 4.35Å; V187-F246 HydrophobicContact CG1-CE1 4.35Å
188M97Very high85.2Confident3 Ų336.7 Ų36.72%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-126.3156.4176.6-61.9179175.300111.7T105 L106 E107 V183 N184 V239 Y240 K242T105-M188 WeakPolarHBondContact O-CE 3.5Å; L106-M188 WeakPolarHBondContact O-CE 3.38Å; E107-M188 HydrophobicContact CB-CE 4.43Å; E107-M188 HydrophobicContact CG-CE 3.93Å; V183-M188 HydrophobicContact CB-SD 4.37Å; V183-M188 HydrophobicContact CG1-SD 4.27Å; N184-M188 WeakPolarHBondContact O-CB 3.47Å; N184-M188 PolarHBondContact O-N 2.71Å; M188-V239 HydrophobicContact CB-CG1 3.97Å; M188-V239 HydrophobicContact CG-CG1 4.17Å; M188-V239 HydrophobicContact SD-CG1 3.83Å; M188-Y240 CarbonylContact C-O 3.51Å; M188-Y240 VanDerWaalsContact CA-O 3.24Å; M188-Y240 WeakPolarHBondContact CA-O 3.39Å; M188-K242 WeakPolarHBondContact O-CE 3.06Å
189I95.1Very high83.8Confident10 Ų1037.4 Ų37.45%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-130.5139.1172.5-60.8169.2000107.3P138 V169 H222 Y240 K242P138-I189 HydrophobicContact CG-CD1 4.09Å; V169-I189 HydrophobicContact CG1-CG2 3.78Å; I189-H222 HydrophobicContact CD1-CB 4.39Å; I189-H222 WeakPolarHBondContact CD1-O 3.24Å; I189-Y240 PolarHBondContact N-O 2.65Å; I189-Y240 PolarHBondContact O-N 2.6Å; I189-K242 HydrophobicContact CD1-CB 4.12Å; I189-K242 HydrophobicContact CD1-CG 3.98Å; I189-K242 HydrophobicContact CG1-CB 3.91Å; I189-K242 HydrophobicContact CG1-CD 4.36Å; I189-K242 VanDerWaalsContact CG1-CE 3.46Å; I189-K242 HydrophobicContact CG1-CG 4.01Å
190C93.4Very high82.2Confident1 Ų137.5 Ų37.51%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-98.4138.6167.3-70.90000110.4Y170 C175 P237 G238Y170-C190 HydrophobicContact CD2-CB 4.15Å; Y170-C190 PolarHBondContact N-O 2.8Å; C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.59Å; C175-C190 WeakPolarHBondContact CB-SG 3.25Å; C175-C190 WeakPolarHBondContact SG-CB 3.38Å; C175-C190 CovalentContact SG-SG 2.03Å; C175-C190 PolarHBondContact SG-SG 2.79Å; C190-P237 HydrophobicContact CB-CG 4.28Å; C190-G238 WeakPolarHBondContact CA-O 3.47Å
191A91.9Very high81.1Confident0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-147.4144.8170.400000111.6V167 V168 V169 L209 P237 G238 Y240V167-A191 HydrophobicContact CB-CB 4.26Å; V167-A191 HydrophobicContact CG2-CB 3.8Å; V168-A191 CarbonylContact O-C 3.13Å; V168-A191 WeakPolarHBondContact O-CA 3.4Å; V168-A191 WeakPolarHBondContact O-CB 3.48Å; V169-A191 HydrophobicContact CG2-CB 4.43Å; A191-L209 HydrophobicContact CB-CD1 4.31Å; A191-L209 HydrophobicContact CB-CD2 4.24Å; A191-P237 WeakPolarHBondContact O-CB 3.42Å; A191-G238 PolarHBondContact N-O 3.38Å; A191-G238 PolarHBondContact O-N 3.2Å; A191-Y240 HydrophobicContact CB-CD2 4.2Å; A191-Y240 HydrophobicContact CB-CE2 3.76Å
192G88.2Confident79.4Confident1 Ų131.5 Ų31.51%0.0117%0.174CC..EExtended strand (participates in β ladder)trans179.8-151.5-179.800000111.7V168V168-G192 PolarHBondContact N-O 3.47Å; V168-G192 PolarHBondContact O-N 2.7Å
193A81.1Confident78Confident21 Ų2130.4 Ų30.417%0.17418%0.175CC..  trans-132.5133.8167.900000109.1Y170 E195 G196 K198Y170-A193 WeakPolarHBondContact OH-CA 3.19Å; A193-E195 VanDerWaalsContact C-N 3.26Å; A193-E195 PolarHBondContact O-N 3.44Å; A193-G196 WeakPolarHBondContact O-CA 3.43Å; A193-G196 PolarHBondContact O-N 2.89Å; A193-K198 HydrophobicContact CB-CB 3.9Å; A193-K198 HydrophobicContact CB-CD 4.31Å; A193-K198 HydrophobicContact CB-CG 4.21Å
194D70.4Confident77.3Confident77 Ų7730.9 Ų30.941%0.41218%0.178SC..THydrogen-bonded Turntrans-59.7-40.3-175.5-71.2-60.9000110.9Y170 R174 G196Y170-D194 PolarHBondContact OH-N 2.97Å; Y170-D194 PolarHBondContact OH-OD1 2.81Å; R174-D194 IonicContact CZ-OD1 3.64Å; R174-D194 IonicContact NE-OD1 2.94Å; R174-D194 IonicContact NH2-OD1 3.86Å; R174-D194 PolarHBondContact NH2-OD1 3.4Å; D194-G196 PolarHBondContact O-N 2.97Å; D194-G196 VanDerWaalsContact O-N 3.1Å
195E68.3Low76.9Confident165 Ų16529.3 Ų29.377%0.77117%0.17SC*.THydrogen-bonded Turntrans-68.5-3.8175.9-63.5175.9-177.100113.8A193A193-E195 VanDerWaalsContact C-N 3.26Å; A193-E195 PolarHBondContact O-N 3.44Å
196G66.9Low76.9Confident8 Ų828.3 Ų28.38%0.08216%0.164CC..SBendtrans70-157.9-16700000112.1A193 D194 K198 A232A193-G196 WeakPolarHBondContact O-CA 3.43Å; A193-G196 PolarHBondContact O-N 2.89Å; D194-G196 PolarHBondContact O-N 2.97Å; D194-G196 VanDerWaalsContact O-N 3.1Å; G196-K198 PolarHBondContact O-N 2.82Å; G196-A232 CarbonylContact C-O 3.34Å
197G59.5Low76.9Confident39 Ų3922.5 Ų22.540%0.40213%0.133SC..SBendtrans70.6-2.617900000115.3G19 A232G19-G197 VanDerWaalsContact CA-O 3.3Å; G19-G197 WeakPolarHBondContact CA-O 3.29Å; G19-G197 PolarHBondContact N-O 2.93Å; G197-A232 PolarHBondContact N-O 3.1Å
198K59.5Low76.9Confident21 Ų2122.2 Ų22.29%0.09113%0.131CC..  trans-142.3114.9175.7-53.6-168.5-161.7-166.90111.4I17 V165 D166 A193 G196I17-K198 VanDerWaalsContact O-CD 3.3Å; I17-K198 WeakPolarHBondContact O-CD 3.44Å; I17-K198 WeakPolarHBondContact O-CE 3.33Å; I17-K198 PolarHBondContact O-NZ 3.37Å; V165-K198 HydrophobicContact CG2-CB 3.72Å; V165-K198 HydrophobicContact CG2-CD 4.13Å; V165-K198 HydrophobicContact CG2-CG 4.06Å; D166-K198 WeakPolarHBondContact O-CD 3.41Å; D166-K198 IonicContact OD1-NZ 3.22Å; D166-K198 PolarHBondContact OD1-NZ 2.84Å; D166-K198 IonicContact OD2-NZ 3.74Å; D166-K198 PolarHBondContact OD2-NZ 2.79Å; A193-K198 HydrophobicContact CB-CB 3.9Å; A193-K198 HydrophobicContact CB-CD 4.31Å; A193-K198 HydrophobicContact CB-CG 4.21Å; G196-K198 PolarHBondContact O-N 2.82Å
199D56.6Low76.9Confident18 Ų1822.1 Ų22.110%0.09613%0.13CC..  trans-158.9166.1172.3-159.14.6000110.6A232 G238D199-A232 HydrophobicContact CB-CB 4.01Å; D199-G238 WeakPolarHBondContact OD1-CA 3.38Å; D199-G238 PolarHBondContact OD1-N 2.86Å; D199-G238 VanDerWaalsContact OD1-N 3.11Å; D199-G238 PolarHBondContact OD2-N 2.94Å
200S55.9Low77Confident6 Ų621.6 Ų21.64%0.04213%0.128CC..  trans-66.2147.9156.155.10000109.9Y240S200-Y240 PolarHBondContact OG-OH 2.83Å
201C64.5Low77.1Confident9 Ų922.3 Ų22.36%0.06113%0.133CC..  trans-127.7179.1178.7-164.20000112.5R151 G203 D204 C231R151-C201 WeakPolarHBondContact O-CB 3.41Å; C201-G203 PolarHBondContact O-N 2.78Å; C201-D204 PolarHBondContact N-OD2 3.42Å; C201-D204 WeakPolarHBondContact O-CB 3.38Å; C201-D204 PolarHBondContact O-N 2.05Å; C201-C231 WeakPolarHBondContact CA-SG 3.22Å; C201-C231 HydrophobicContact CB-CB 3.64Å; C201-C231 WeakPolarHBondContact CB-SG 3.23Å; C201-C231 WeakPolarHBondContact SG-CB 3.3Å; C201-C231 CovalentContact SG-SG 2.02Å; C201-C231 PolarHBondContact SG-SG 3.5Å
202Q55Low77.3Confident49 Ų4927.8 Ų27.823%0.22915%0.154CC..THydrogen-bonded Turntrans-52.8129.2177.1-76.574.935.200111.3G150 R151 C231 W300G150-Q202 CarbonylContact C-O 3.53Å; G150-Q202 WeakPolarHBondContact CA-O 3.43Å; R151-Q202 HydrophobicContact CG-CB 4.38Å; R151-Q202 PolarHBondContact N-O 2.87Å; Q202-C231 PolarHBondContact OE1-SG 3.36Å; Q202-W300 VanDerWaalsContact CA-CZ2 3.47Å; Q202-W300 HydrophobicContact CB-CZ2 4.14Å; Q202-W300 HydrophobicContact CG-CD2 4.28Å; Q202-W300 HydrophobicContact CG-CZ2 3.97Å
203G58.6Low77.5Confident18 Ų1829.3 Ų29.319%0.18616%0.162CC..THydrogen-bonded Turntrans96.4-15.1-175.800000114.1Y45 C201 S205Y45-G203 VanDerWaalsContact CE1-O 3.23Å; Y45-G203 WeakPolarHBondContact CE1-O 3.3Å; Y45-G203 PolarHBondContact OH-O 3.23Å; C201-G203 PolarHBondContact O-N 2.78Å; G203-S205 PolarHBondContact O-N 3.48Å
204D78.1Confident78.1Confident16 Ų1630.7 Ų30.79%0.08618%0.178CC..  trans-80.7-6.3170.4-61.8-37.7000112.7G148 W149 G150 C201 G206 G207 V225G148-D204 WeakPolarHBondContact CA-OD1 3.09Å; W149-D204 PolarHBondContact N-OD1 2.86Å; G150-D204 VanDerWaalsContact CA-OD1 3.29Å; G150-D204 WeakPolarHBondContact CA-OD1 2.96Å; G150-D204 PolarHBondContact N-OD1 3.43Å; C201-D204 PolarHBondContact N-OD2 3.42Å; C201-D204 WeakPolarHBondContact O-CB 3.38Å; C201-D204 PolarHBondContact O-N 2.05Å; D204-G206 PolarHBondContact O-N 3.17Å; D204-G207 VanDerWaalsContact O-CA 3.31Å; D204-G207 WeakPolarHBondContact O-CA 3.17Å; D204-G207 PolarHBondContact O-N 2.91Å; D204-V225 HydrophobicContact CB-CG1 4.33Å; D204-V225 HydrophobicContact CB-CG2 4.36Å; D204-V225 VanDerWaalsContact O-CB 3.3Å; D204-V225 WeakPolarHBondContact O-CB 3.1Å; D204-V225 WeakPolarHBondContact O-CG2 3.12Å
205S88.2Confident79.1Confident4 Ų432 Ų323%0.02819%0.194CC..THydrogen-bonded Turntrans-42.8133.3176.8-77.10000112.8C47 G48 H62 G203 G207 W300C47-S205 CarbonylContact C-O 3.48Å; C47-S205 WeakPolarHBondContact CA-O 3.12Å; C47-S205 WeakPolarHBondContact CB-O 3.42Å; C47-S205 WeakPolarHBondContact SG-CB 3.42Å; G48-S205 PolarHBondContact N-O 3.29Å; H62-S205 PolarHBondContact CE1-OG 3.23Å; H62-S205 WeakPolarHBondContact NE2-CB 3.47Å; H62-S205 PolarHBondContact NE2-OG 3.32Å; G203-S205 PolarHBondContact O-N 3.48Å; S205-G207 PolarHBondContact O-N 2.97Å; S205-G207 VanDerWaalsContact O-N 3.15Å; S205-W300 WeakPolarHBondContact OG-CH2 3.44Å; S205-W300 WeakPolarHBondContact OG-CZ2 3.39Å
206G94Very high80.2Confident0 Ų026 Ų260%016%0.164CC..THydrogen-bonded Turntrans75.5-11.5-176.700000115G48 D204 V225G48-G206 CarbonylContact O-C 3.51Å; G48-G206 WeakPolarHBondContact O-CA 3.11Å; D204-G206 PolarHBondContact O-N 3.17Å; G206-V225 PolarHBondContact N-O 3.1Å
207G95.2Very high81.4Confident0 Ų032.9 Ų32.90%019%0.191CC..  trans-63.5160.2172.800000112.7D204 S205 I224 V225D204-G207 VanDerWaalsContact O-CA 3.31Å; D204-G207 WeakPolarHBondContact O-CA 3.17Å; D204-G207 PolarHBondContact O-N 2.91Å; S205-G207 PolarHBondContact O-N 2.97Å; S205-G207 VanDerWaalsContact O-N 3.15Å; G207-I224 WeakPolarHBondContact O-CA 3.46Å; G207-V225 PolarHBondContact O-N 3.02Å
208P97.3Very high83.2Confident0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-89.3141.1-173.936.1-34.6000112.7H31 V210 Q221H31-P208 VanDerWaalsContact CE1-CD 3.42Å; H31-P208 WeakPolarHBondContact CE1-CD 3.21Å; H31-P208 VanDerWaalsContact ND1-CD 3.26Å; H31-P208 WeakPolarHBondContact ND1-CD 3.38Å; P208-V210 HydrophobicContact CB-CG1 4.03Å; P208-Q221 HydrophobicContact CB-CG 3.81Å
209L96.4Very high85Confident1 Ų131.6 Ų31.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-98113.5159.4178.676.6000108.5A144 Y145 V146 V167 A191 Q221 H222 G223 Y240A144-L209 HydrophobicContact CB-CD1 3.59Å; A144-L209 HydrophobicContact CB-CG 3.93Å; Y145-L209 WeakPolarHBondContact O-CA 3.22Å; V146-L209 HydrophobicContact CG2-CB 4.5Å; V146-L209 HydrophobicContact CG2-CD1 3.42Å; V146-L209 VanDerWaalsContact CG2-CD1 3.42Å; V167-L209 HydrophobicContact CG2-CD1 3.54Å; A191-L209 HydrophobicContact CB-CD1 4.31Å; A191-L209 HydrophobicContact CB-CD2 4.24Å; L209-Q221 CarbonylContact O-C 3.3Å; L209-Q221 WeakPolarHBondContact O-CA 3.24Å; L209-H222 PolarHBondContact O-N 3.02Å; L209-G223 PolarHBondContact N-O 2.77Å; L209-G223 PolarHBondContact O-N 3.22Å; L209-Y240 HydrophobicContact CB-CD1 3.72Å; L209-Y240 HydrophobicContact CB-CE1 3.94Å; L209-Y240 HydrophobicContact CB-CG 4.42Å; L209-Y240 HydrophobicContact CD1-CE1 4.14Å; L209-Y240 HydrophobicContact CD2-CD1 4.15Å; L209-Y240 HydrophobicContact CD2-CD2 4.28Å; L209-Y240 HydrophobicContact CD2-CE1 4.49Å; L209-Y240 HydrophobicContact CD2-CG 4.05Å; L209-Y240 HydrophobicContact CG-CD1 4.36Å; L209-Y240 HydrophobicContact CG-CE1 4.42Å
210V97.3Very high86.9Confident0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-120.1144.4-173.5-66.10000113.3W28 V128 A144 Y145 P208 W219 I220 Q221W28-V210 HydrophobicContact CE3-CG2 4.21Å; W28-V210 HydrophobicContact CH2-CG2 4.04Å; W28-V210 HydrophobicContact CZ3-CG2 3.49Å; W28-V210 VanDerWaalsContact CZ3-CG2 3.49Å; V128-V210 HydrophobicContact CG2-CG1 3.89Å; A144-V210 CarbonylContact C-O 3.47Å; A144-V210 WeakPolarHBondContact CA-O 3.3Å; Y145-V210 PolarHBondContact N-O 2.85Å; Y145-V210 PolarHBondContact O-N 2.91Å; P208-V210 HydrophobicContact CB-CG1 4.03Å; V210-W219 HydrophobicContact CB-CE3 4.12Å; V210-W219 HydrophobicContact CG2-CE3 3.87Å; V210-W219 HydrophobicContact CG2-CZ3 4.19Å; V210-I220 CarbonylContact C-O 3.47Å; V210-I220 WeakPolarHBondContact CA-O 3.34Å; V210-Q221 HydrophobicContact CG1-CB 4Å; V210-Q221 HydrophobicContact CG1-CG 4.35Å
211S96.2Very high89Confident16 Ų1630.5 Ų30.511%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-125.6154.9169.787.70000110.6W219 I220 H222S211-W219 WeakPolarHBondContact O-CA 3.48Å; S211-I220 PolarHBondContact N-O 2.92Å; S211-I220 PolarHBondContact O-N 3.24Å; S211-H222 PolarHBondContact OG-CD2 3.43Å; S211-H222 VanDerWaalsContact OG-CD2 3.23Å; S211-H222 PolarHBondContact OG-NE2 3.14Å
212Y95.5Very high90.5Very high114 Ų11430.4 Ų30.445%0.44717%0.167SC..EExtended strand (participates in β ladder)trans-91.9118.5176.2-173.2-106.2000110.4G214 K217 W219Y212-G214 PolarHBondContact O-N 2.81Å; Y212-K217 WeakPolarHBondContact OH-CA 3.49Å; Y212-K217 WeakPolarHBondContact OH-CB 3.21Å; Y212-K217 PolarHBondContact OH-O 3.05Å; Y212-W219 AromaticContact CD2-CD1 3.8Å; Y212-W219 AromaticContact CD2-CD2 4Å; Y212-W219 HydrophobicContact CD2-CD2 4Å; Y212-W219 AromaticContact CD2-CE2 3.79Å; Y212-W219 HydrophobicContact CD2-CG 4.02Å; Y212-W219 HydrophobicContact CD2-CZ2 4.37Å; Y212-W219 AromaticContact CD2-NE1 3.66Å
213D94.1Very high92.6Very high34 Ų3428 Ų2818%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-88.6106.1171.5-178-19.8000109.6S215 R216 K217 Q218 I220D213-S215 VanDerWaalsContact C-N 3.27Å; D213-S215 PolarHBondContact O-N 2.99Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.28Å; D213-S215 WeakPolarHBondContact OD1-CB 3.22Å; D213-S215 PolarHBondContact OD1-N 3.45Å; D213-S215 PolarHBondContact OD1-OG 2.86Å; D213-S215 PolarHBondContact OD2-OG 2.84Å; D213-R216 HydrophobicContact CB-CB 4.07Å; D213-R216 HydrophobicContact CB-CG 4.37Å; D213-R216 CarbonylContact O-C 3.54Å; D213-R216 PolarHBondContact O-N 3.07Å; D213-R216 PolarHBondContact OD1-N 3.43Å; D213-R216 VanDerWaalsContact OD1-N 3.12Å; D213-R216 WeakPolarHBondContact OD2-CD 3.42Å; D213-R216 VanDerWaalsContact OD2-CG 3.24Å; D213-R216 WeakPolarHBondContact OD2-CG 3.37Å; D213-K217 WeakPolarHBondContact O-CA 3.35Å; D213-K217 PolarHBondContact O-N 3.11Å; D213-Q218 PolarHBondContact N-O 2.54Å; D213-Q218 PolarHBondContact O-N 2.8Å; D213-I220 HydrophobicContact CB-CD1 3.47Å; D213-I220 VanDerWaalsContact CB-CD1 3.47Å; D213-I220 HydrophobicContact CB-CG1 4.2Å
214G92.1Very high94.4Very high50 Ų5027.2 Ų27.252%0.51515%0.148SC..THydrogen-bonded Turntrans-64.6-26.4178.500000114.5Y212Y212-G214 PolarHBondContact O-N 2.81Å
215S91.4Very high95.2Very high105 Ų10526.5 Ų26.573%0.73414%0.144SC*.THydrogen-bonded Turntrans-72.8-37.3175.978.30000111.4D213D213-S215 VanDerWaalsContact C-N 3.27Å; D213-S215 PolarHBondContact O-N 2.99Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.28Å; D213-S215 WeakPolarHBondContact OD1-CB 3.22Å; D213-S215 PolarHBondContact OD1-N 3.45Å; D213-S215 PolarHBondContact OD1-OG 2.86Å; D213-S215 PolarHBondContact OD2-OG 2.84Å
216R91.1Very high95.4Very high38 Ų3826.4 Ų26.414%0.14314%0.143CC..THydrogen-bonded Turntrans-87.2-17.5177.6-66.3177.556.1-178.5-6.7113.2L130 E136 D213 Q218L130-R216 PolarHBondContact O-NH1 3.29Å; E136-R216 IonicContact OE1-CZ 2.76Å; E136-R216 IonicContact OE1-NH1 2.71Å; E136-R216 PolarHBondContact OE1-NH1 2.75Å; E136-R216 IonicContact OE2-NH1 2.79Å; D213-R216 HydrophobicContact CB-CB 4.07Å; D213-R216 HydrophobicContact CB-CG 4.37Å; D213-R216 CarbonylContact O-C 3.54Å; D213-R216 PolarHBondContact O-N 3.07Å; D213-R216 PolarHBondContact OD1-N 3.43Å; D213-R216 VanDerWaalsContact OD1-N 3.12Å; D213-R216 WeakPolarHBondContact OD2-CD 3.42Å; D213-R216 VanDerWaalsContact OD2-CG 3.24Å; D213-R216 WeakPolarHBondContact OD2-CG 3.37Å; R216-Q218 HydrophobicContact CB-CB 4.04Å; R216-Q218 HydrophobicContact CB-CG 4.37Å; R216-Q218 VanDerWaalsContact NE-OE1 3.11Å; R216-Q218 WeakPolarHBondContact O-CG 3.26Å; R216-Q218 PolarHBondContact O-N 3.48Å
217K93.8Very high95.1Very high152 Ų15226.4 Ų26.466%0.66114%0.143SC*.THydrogen-bonded Turntrans5434.2-167.2-58.9-177.8179-179.20112.8Y212 D213Y212-K217 WeakPolarHBondContact OH-CA 3.49Å; Y212-K217 WeakPolarHBondContact OH-CB 3.21Å; Y212-K217 PolarHBondContact OH-O 3.05Å; D213-K217 WeakPolarHBondContact O-CA 3.35Å; D213-K217 PolarHBondContact O-N 3.11Å
218Q96Very high94.2Very high26 Ų2626.7 Ų26.712%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-132.4147.1-172.5-74.2174.5-28.500111.2C5 G6 C129 D213 R216C5-Q218 PolarHBondContact O-NE2 2.94Å; G6-Q218 CarbonylContact O-C 3.6Å; G6-Q218 WeakPolarHBondContact O-CA 3.44Å; C129-Q218 PolarHBondContact SG-OE1 2.77Å; D213-Q218 PolarHBondContact N-O 2.54Å; D213-Q218 PolarHBondContact O-N 2.8Å; R216-Q218 HydrophobicContact CB-CB 4.04Å; R216-Q218 HydrophobicContact CB-CG 4.37Å; R216-Q218 VanDerWaalsContact NE-OE1 3.11Å; R216-Q218 WeakPolarHBondContact O-CG 3.26Å; R216-Q218 PolarHBondContact O-N 3.48Å
219W97.6Very high92.8Very high8 Ų829.8 Ų29.83%0.0316%0.16CC..EExtended strand (participates in β ladder)trans-79.8132.6165.5-70.492.4000111.1G6 P12 L14 W28 W30 C129 Y145 V210 S211 Y212G6-W219 WeakPolarHBondContact CA-O 3.4Å; G6-W219 VanDerWaalsContact O-CD1 3.31Å; G6-W219 PolarHBondContact O-N 3.11Å; P12-W219 HydrophobicContact CG-CH2 4.4Å; P12-W219 HydrophobicContact CG-CZ2 3.62Å; L14-W219 HydrophobicContact CD1-CH2 4.2Å; L14-W219 HydrophobicContact CD1-CZ2 4.1Å; L14-W219 HydrophobicContact CD2-CH2 3.7Å; L14-W219 HydrophobicContact CD2-CZ2 3.92Å; W28-W219 HydrophobicContact CH2-CD2 4.49Å; W28-W219 HydrophobicContact CH2-CE3 4.15Å; W28-W219 AromaticContact CH2-CH2 3.68Å; W28-W219 HydrophobicContact CH2-CH2 3.68Å; W28-W219 HydrophobicContact CH2-CZ2 4.05Å; W28-W219 AromaticContact CH2-CZ3 3.73Å; W28-W219 HydrophobicContact CH2-CZ3 3.73Å; W28-W219 HydrophobicContact CZ3-CD2 4.01Å; W28-W219 AromaticContact CZ3-CE3 3.87Å; W28-W219 HydrophobicContact CZ3-CE3 3.87Å; W28-W219 HydrophobicContact CZ3-CH2 4.17Å; W28-W219 HydrophobicContact CZ3-CZ2 4.31Å; W28-W219 AromaticContact CZ3-CZ3 3.95Å; W28-W219 HydrophobicContact CZ3-CZ3 3.95Å; W30-W219 HydrophobicContact CH2-CB 3.4Å; W30-W219 AromaticContact CH2-CD1 3.71Å; W30-W219 HydrophobicContact CH2-CD2 4.39Å; W30-W219 AromaticContact CH2-CG 3.54Å; W30-W219 HydrophobicContact CH2-CG 3.54Å; W30-W219 HydrophobicContact CZ2-CB 3.76Å; W30-W219 HydrophobicContact CZ2-CG 4.01Å; W30-W219 HydrophobicContact CZ3-CB 4.27Å; C129-W219 VanDerWaalsContact CB-O 3.3Å; C129-W219 WeakPolarHBondContact CB-O 3.4Å; C129-W219 PolarHBondContact N-O 3.17Å; Y145-W219 AromaticContact CD2-CH2 3.81Å; Y145-W219 HydrophobicContact CD2-CH2 3.81Å; Y145-W219 AromaticContact CD2-CZ3 3.69Å; Y145-W219 HydrophobicContact CD2-CZ3 3.69Å; Y145-W219 HydrophobicContact CE2-CH2 4.01Å; Y145-W219 HydrophobicContact CE2-CZ3 4.27Å; Y145-W219 HydrophobicContact CG-CZ3 4.4Å; V210-W219 HydrophobicContact CB-CE3 4.12Å; V210-W219 HydrophobicContact CG2-CE3 3.87Å; V210-W219 HydrophobicContact CG2-CZ3 4.19Å; S211-W219 WeakPolarHBondContact O-CA 3.48Å; Y212-W219 AromaticContact CD2-CD1 3.8Å; Y212-W219 AromaticContact CD2-CD2 4Å; Y212-W219 HydrophobicContact CD2-CD2 4Å; Y212-W219 AromaticContact CD2-CE2 3.79Å; Y212-W219 HydrophobicContact CD2-CG 4.02Å; Y212-W219 HydrophobicContact CD2-CZ2 4.37Å; Y212-W219 AromaticContact CD2-NE1 3.66Å
220I97.7Very high91.2Very high1 Ų131 Ų311%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-122.3131.3-176.7-53.5175.1000109C129 P131 E136 V210 S211 D213 H222C129-I220 HydrophobicContact CB-CG1 4.4Å; C129-I220 WeakPolarHBondContact O-CA 3.41Å; P131-I220 HydrophobicContact CG-CG2 4.09Å; E136-I220 VanDerWaalsContact OE1-CD1 3.24Å; E136-I220 WeakPolarHBondContact OE1-CD1 3.43Å; V210-I220 CarbonylContact C-O 3.47Å; V210-I220 WeakPolarHBondContact CA-O 3.34Å; S211-I220 PolarHBondContact N-O 2.92Å; S211-I220 PolarHBondContact O-N 3.24Å; D213-I220 HydrophobicContact CB-CD1 3.47Å; D213-I220 VanDerWaalsContact CB-CD1 3.47Å; D213-I220 HydrophobicContact CB-CG1 4.2Å; I220-H222 PolarHBondContact O-CD2 2.91Å
221Q98Very high89.6Confident0 Ų032.6 Ų32.60%018%0.183CC..EExtended strand (participates in β ladder)trans-83.7115.9171.5-172.6-179.4-10.900110.6S50 V128 C129 P131 P208 L209 V210 G223 V243S50-Q221 PolarHBondContact OG-OE1 3.07Å; V128-Q221 HydrophobicContact CG1-CB 4.01Å; V128-Q221 HydrophobicContact CG2-CB 3.95Å; C129-Q221 PolarHBondContact O-N 3.21Å; P131-Q221 WeakPolarHBondContact CD-O 3.46Å; P208-Q221 HydrophobicContact CB-CG 3.81Å; L209-Q221 CarbonylContact O-C 3.3Å; L209-Q221 WeakPolarHBondContact O-CA 3.24Å; V210-Q221 HydrophobicContact CG1-CB 4Å; V210-Q221 HydrophobicContact CG1-CG 4.35Å; Q221-G223 VanDerWaalsContact CG-O 3.24Å; Q221-G223 WeakPolarHBondContact CG-O 3.29Å; Q221-G223 PolarHBondContact NE2-O 3.42Å; Q221-V243 HydrophobicContact CG-CG2 4.18Å
222H98Very high87.9Confident6 Ų633.2 Ų33.23%0.02819%0.189CC..EExtended strand (participates in β ladder)trans-101.1-25178-65.6-75000112.8P138 I189 L209 S211 I220 V243P138-H222 HydrophobicContact CB-CB 4.22Å; P138-H222 WeakPolarHBondContact CD-ND1 3.47Å; P138-H222 HydrophobicContact CG-CB 3.82Å; I189-H222 HydrophobicContact CD1-CB 4.39Å; I189-H222 WeakPolarHBondContact CD1-O 3.24Å; L209-H222 PolarHBondContact O-N 3.02Å; S211-H222 PolarHBondContact OG-CD2 3.43Å; S211-H222 VanDerWaalsContact OG-CD2 3.23Å; S211-H222 PolarHBondContact OG-NE2 3.14Å; I220-H222 PolarHBondContact O-CD2 2.91Å; H222-V243 WeakPolarHBondContact O-CB 3.14Å; H222-V243 PolarHBondContact O-N 3.4Å
223G97.6Very high86.4Confident0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-133.1161.4-178.200000113.9L209 Q221 S241L209-G223 PolarHBondContact N-O 2.77Å; L209-G223 PolarHBondContact O-N 3.22Å; Q221-G223 VanDerWaalsContact CG-O 3.24Å; Q221-G223 WeakPolarHBondContact CG-O 3.29Å; Q221-G223 PolarHBondContact NE2-O 3.42Å; G223-S241 CarbonylContact C-O 3.59Å; G223-S241 VanDerWaalsContact CA-O 3.26Å; G223-S241 WeakPolarHBondContact CA-O 3.24Å
224I97.5Very high85.1Confident0 Ų033.4 Ų33.40%020%0.199CC..EExtended strand (participates in β ladder)trans-121.6125.2167.9-54.9166.1000105.9L58 A60 A110 G207 S226 Y240 S241 V243L58-I224 HydrophobicContact CD1-CD1 3.75Å; L58-I224 HydrophobicContact CD2-CD1 3.87Å; L58-I224 HydrophobicContact CD2-CG1 4.09Å; L58-I224 HydrophobicContact CG-CD1 3.68Å; L58-I224 HydrophobicContact CG-CG1 4.15Å; A60-I224 HydrophobicContact CB-CG2 4.1Å; A110-I224 HydrophobicContact CB-CD1 3.81Å; G207-I224 WeakPolarHBondContact O-CA 3.46Å; I224-S226 PolarHBondContact O-N 3.42Å; I224-S226 VanDerWaalsContact O-N 3.09Å; I224-Y240 CarbonylContact O-C 3.56Å; I224-Y240 WeakPolarHBondContact O-CA 3.15Å; I224-Y240 WeakPolarHBondContact O-CB 3.46Å; I224-S241 PolarHBondContact N-O 3.44Å; I224-S241 VanDerWaalsContact N-O 3.07Å; I224-S241 PolarHBondContact O-N 3.3Å; I224-V243 HydrophobicContact CD1-CG2 4.2Å; I224-V243 HydrophobicContact CG1-CG2 3.75Å
225V94.6Very high84.1Confident1 Ų133.6 Ų33.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-55.6118.61761790000108V146 D204 G206 G207 Y240 W300V146-V225 HydrophobicContact CG1-CG2 3.85Å; D204-V225 HydrophobicContact CB-CG1 4.33Å; D204-V225 HydrophobicContact CB-CG2 4.36Å; D204-V225 VanDerWaalsContact O-CB 3.3Å; D204-V225 WeakPolarHBondContact O-CB 3.1Å; D204-V225 WeakPolarHBondContact O-CG2 3.12Å; G206-V225 PolarHBondContact N-O 3.1Å; G207-V225 PolarHBondContact O-N 3.02Å; V225-Y240 HydrophobicContact CB-CD1 4.42Å; V225-Y240 HydrophobicContact CB-CE1 4.34Å; V225-Y240 HydrophobicContact CG2-CD1 4.02Å; V225-Y240 HydrophobicContact CG2-CE1 3.6Å; V225-W300 HydrophobicContact CG1-CH2 4.48Å
226S92.8Very high83.4Confident2 Ų229.3 Ų29.31%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-116.6-63.9-173.5179.80000110.2H62 D109 I224 V239H62-S226 PolarHBondContact CE1-O 3.13Å; D109-S226 WeakPolarHBondContact CB-OG 3.45Å; D109-S226 WeakPolarHBondContact OD2-CA 3.14Å; D109-S226 WeakPolarHBondContact OD2-CB 3.33Å; D109-S226 PolarHBondContact OD2-OG 2.94Å; I224-S226 PolarHBondContact O-N 3.42Å; I224-S226 VanDerWaalsContact O-N 3.09Å; S226-V239 WeakPolarHBondContact CB-O 3.46Å; S226-V239 PolarHBondContact N-O 3.33Å; S226-V239 VanDerWaalsContact N-O 3.17Å
227W86.9Confident83.2Confident1 Ų127.7 Ų27.70%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-155.8166.4-170.575.3-96.4000110.8L106 Y179 V183 V239 W300 T301 P302 F305L106-W227 HydrophobicContact CD1-CB 3.56Å; L106-W227 HydrophobicContact CD1-CG 3.91Å; Y179-W227 AromaticContact CD1-CH2 3.86Å; Y179-W227 HydrophobicContact CD1-CH2 3.86Å; Y179-W227 HydrophobicContact CD1-CZ3 4.19Å; Y179-W227 HydrophobicContact CE1-CH2 4.15Å; Y179-W227 HydrophobicContact CE1-CZ3 4.06Å; Y179-W227 HydrophobicContact CG-CH2 4.1Å; V183-W227 HydrophobicContact CG1-CH2 4.26Å; V183-W227 HydrophobicContact CG1-CZ2 3.75Å; W227-V239 HydrophobicContact CD2-CB 3.82Å; W227-V239 HydrophobicContact CD2-CG1 4.33Å; W227-V239 HydrophobicContact CD2-CG2 4.02Å; W227-V239 HydrophobicContact CE3-CG2 4.29Å; W227-V239 HydrophobicContact CG-CB 4Å; W227-V239 HydrophobicContact CG-CG1 4.45Å; W227-V239 HydrophobicContact CH2-CG2 4.01Å; W227-V239 HydrophobicContact CZ2-CB 4.08Å; W227-V239 HydrophobicContact CZ2-CG1 4.04Å; W227-V239 HydrophobicContact CZ2-CG2 3.73Å; W227-V239 HydrophobicContact CZ3-CG2 4.28Å; W227-V239 PolarHBondContact N-O 3.16Å; W227-V239 CarbonylContact O-C 3.5Å; W227-V239 WeakPolarHBondContact O-CA 3.38Å; W227-V239 WeakPolarHBondContact O-CB 3.26Å; W227-V239 PolarHBondContact O-N 3.36Å; W227-V239 VanDerWaalsContact O-O 3.05Å; W227-W300 VanDerWaalsContact CB-O 3.24Å; W227-W300 WeakPolarHBondContact CB-O 3.36Å; W227-T301 HydrophobicContact CE3-CG2 4.47Å; W227-P302 HydrophobicContact CD2-CG 4.07Å; W227-P302 VanDerWaalsContact CE3-CD 3.41Å; W227-P302 HydrophobicContact CE3-CG 4.26Å; W227-P302 HydrophobicContact CH2-CG 3.95Å; W227-P302 HydrophobicContact CZ2-CG 3.71Å; W227-P302 HydrophobicContact CZ3-CG 4.21Å; W227-F305 HydrophobicContact CH2-CD2 4.49Å; W227-F305 HydrophobicContact CH2-CE2 4.4Å; W227-F305 HydrophobicContact CZ3-CD2 4.42Å; W227-F305 HydrophobicContact CZ3-CE1 4.46Å; W227-F305 HydrophobicContact CZ3-CE2 4.3Å; W227-F305 HydrophobicContact CZ3-CZ 4.32Å
228G75.6Confident83Confident6 Ų620.4 Ų20.46%0.06212%0.12CC..  trans176.8172.8-178.600000109.5W300G228-W300 PolarHBondContact N-O 2.89Å; G228-W300 VanDerWaalsContact O-O 3.1Å
229F68.2Low82.8Confident64 Ų6419.2 Ų19.228%0.28111%0.114SC..SBendtrans-123.4130.7174.3174.6-91.1000110.9F305 P307F229-F305 HydrophobicContact CB-CE1 3.92Å; F229-F305 HydrophobicContact CG-CE1 4.42Å; F229-P307 HydrophobicContact CB-CB 4.43Å; F229-P307 HydrophobicContact CD1-CB 3.63Å; F229-P307 HydrophobicContact CD1-CG 4.32Å; F229-P307 HydrophobicContact CD2-CB 3.32Å; F229-P307 HydrophobicContact CD2-CG 3.06Å; F229-P307 HydrophobicContact CE1-CB 3.55Å; F229-P307 HydrophobicContact CE1-CG 4.38Å; F229-P307 HydrophobicContact CE2-CB 3.25Å; F229-P307 HydrophobicContact CE2-CG 3.14Å; F229-P307 HydrophobicContact CG-CB 3.48Å; F229-P307 VanDerWaalsContact CG-CB 3.48Å; F229-P307 HydrophobicContact CG-CG 3.69Å; F229-P307 HydrophobicContact CZ-CB 3.34Å; F229-P307 HydrophobicContact CZ-CG 3.81Å
230G62.5Low82.7Confident28 Ų2818.8 Ų18.829%0.28911%0.113SC..SBendtrans64.5-169.5-168.100000111.4
231C65.5Low82.7Confident32 Ų3218.8 Ų18.822%0.21611%0.112CC..SBendtrans-133.6122.8167.9-62.40000107.8C201 Q202 E233C201-C231 WeakPolarHBondContact CA-SG 3.22Å; C201-C231 HydrophobicContact CB-CB 3.64Å; C201-C231 WeakPolarHBondContact CB-SG 3.23Å; C201-C231 WeakPolarHBondContact SG-CB 3.3Å; C201-C231 CovalentContact SG-SG 2.02Å; C201-C231 PolarHBondContact SG-SG 3.5Å; Q202-C231 PolarHBondContact OE1-SG 3.36Å; C231-E233 PolarHBondContact O-N 3.41Å
232A59.8Low82.7Confident29 Ų2920.3 Ų20.324%0.2412%0.119CC..SBendtrans60.526.9173.800000113.5G196 G197 D199G196-A232 CarbonylContact C-O 3.34Å; G197-A232 PolarHBondContact N-O 3.1Å; D199-A232 HydrophobicContact CB-CB 4.01Å
233E63Low82.7Confident82 Ų8220 Ų2038%0.38312%0.118SC..  trans-76.5142.5171.6-70.4-73.4127.700109.6C231 Q236 R311C231-E233 PolarHBondContact O-N 3.41Å; E233-Q236 HydrophobicContact CB-CB 4.07Å; E233-Q236 HydrophobicContact CB-CG 4.28Å; E233-Q236 PolarHBondContact O-N 2.85Å; E233-R311 IonicContact OE2-CZ 2.71Å; E233-R311 IonicContact OE2-NH1 3.53Å; E233-R311 IonicContact OE2-NH2 3.75Å; E233-R311 PolarHBondContact OE2-NH2 3.33Å
234P68.3Low82.7Confident70 Ų7020 Ų2046%0.45512%0.118SC..THydrogen-bonded Turntrans-54.6142173.4-24.133.8000111.6Q236P234-Q236 WeakPolarHBondContact O-CG 3.35Å; P234-Q236 PolarHBondContact O-N 3.49Å; P234-Q236 VanDerWaalsContact O-N 3.14Å
235D69.9Low82.6Confident55 Ų5522 Ų2229%0.29413%0.131SC..THydrogen-bonded Turntrans57.321.4180-62.2-53.5000115.8R174 F178 L314R174-D235 IonicContact NH2-OD1 3.02Å; F178-D235 HydrophobicContact CD1-CB 4.33Å; F178-D235 WeakPolarHBondContact CD1-O 3.29Å; F178-D235 HydrophobicContact CE1-CB 3.86Å; D235-L314 HydrophobicContact CB-CD1 4.25Å
236Q76.8Confident82.6Confident14 Ų1422 Ų227%0.06513%0.132CC..  trans-130.674.6-179.8-61.6-168.1-43.400111.5E233 P234 R311E233-Q236 HydrophobicContact CB-CB 4.07Å; E233-Q236 HydrophobicContact CB-CG 4.28Å; E233-Q236 PolarHBondContact O-N 2.85Å; P234-Q236 WeakPolarHBondContact O-CG 3.35Å; P234-Q236 PolarHBondContact O-N 3.49Å; P234-Q236 VanDerWaalsContact O-N 3.14Å; Q236-R311 VanDerWaalsContact CD-NE 3.34Å
237P86.6Confident82.7Confident4 Ų422 Ų223%0.02613%0.132CC..  trans-77.3143.5-175.332.6-35.8000112.3Y170 F178 Y179 C190 A191Y170-P237 HydrophobicContact CD2-CB 3.87Å; Y170-P237 HydrophobicContact CD2-CG 4.1Å; Y170-P237 HydrophobicContact CE2-CB 3.51Å; Y170-P237 HydrophobicContact CE2-CG 4Å; F178-P237 HydrophobicContact CB-CG 4.42Å; F178-P237 HydrophobicContact CD2-CG 3.45Å; F178-P237 VanDerWaalsContact CD2-CG 3.45Å; F178-P237 HydrophobicContact CE2-CG 3.71Å; F178-P237 HydrophobicContact CG-CG 3.98Å; F178-P237 HydrophobicContact CZ-CG 4.46Å; Y179-P237 HydrophobicContact CE2-CG 3.96Å; Y179-P237 WeakPolarHBondContact CE2-O 3.26Å; Y179-P237 PolarHBondContact OH-O 2.87Å; C190-P237 HydrophobicContact CB-CG 4.28Å; A191-P237 WeakPolarHBondContact O-CB 3.42Å
238G89.5Confident83Confident0 Ų028.2 Ų28.20%017%0.165CC..EExtended strand (participates in β ladder)trans-54.6146.2170.400000113C190 A191 D199 Y240C190-G238 WeakPolarHBondContact CA-O 3.47Å; A191-G238 PolarHBondContact N-O 3.38Å; A191-G238 PolarHBondContact O-N 3.2Å; D199-G238 WeakPolarHBondContact OD1-CA 3.38Å; D199-G238 PolarHBondContact OD1-N 2.86Å; D199-G238 VanDerWaalsContact OD1-N 3.11Å; D199-G238 PolarHBondContact OD2-N 2.94Å; G238-Y240 VanDerWaalsContact C-CE2 3.46Å; G238-Y240 WeakPolarHBondContact O-CD2 3.34Å; G238-Y240 WeakPolarHBondContact O-CE2 3.38Å
239V92.9Very high83.9Confident0 Ų028.5 Ų28.50%016%0.164CC..EExtended strand (participates in β ladder)trans-108.4131175.2-173.70000109.8Y179 V183 M188 S226 W227Y179-V239 HydrophobicContact CD2-CG2 3.84Å; Y179-V239 HydrophobicContact CE2-CG2 3.39Å; V183-V239 HydrophobicContact CG1-CG1 4.29Å; V183-V239 HydrophobicContact CG1-CG2 4.2Å; M188-V239 HydrophobicContact CB-CG1 3.97Å; M188-V239 HydrophobicContact CG-CG1 4.17Å; M188-V239 HydrophobicContact SD-CG1 3.83Å; S226-V239 WeakPolarHBondContact CB-O 3.46Å; S226-V239 PolarHBondContact N-O 3.33Å; S226-V239 VanDerWaalsContact N-O 3.17Å; W227-V239 HydrophobicContact CD2-CB 3.82Å; W227-V239 HydrophobicContact CD2-CG1 4.33Å; W227-V239 HydrophobicContact CD2-CG2 4.02Å; W227-V239 HydrophobicContact CE3-CG2 4.29Å; W227-V239 HydrophobicContact CG-CB 4Å; W227-V239 HydrophobicContact CG-CG1 4.45Å; W227-V239 HydrophobicContact CH2-CG2 4.01Å; W227-V239 HydrophobicContact CZ2-CB 4.08Å; W227-V239 HydrophobicContact CZ2-CG1 4.04Å; W227-V239 HydrophobicContact CZ2-CG2 3.73Å; W227-V239 HydrophobicContact CZ3-CG2 4.28Å; W227-V239 PolarHBondContact N-O 3.16Å; W227-V239 CarbonylContact O-C 3.5Å; W227-V239 WeakPolarHBondContact O-CA 3.38Å; W227-V239 WeakPolarHBondContact O-CB 3.26Å; W227-V239 PolarHBondContact O-N 3.36Å; W227-V239 VanDerWaalsContact O-O 3.05Å
240Y95.4Very high85.2Confident0 Ų025.5 Ų25.50%015%0.151CC..EExtended strand (participates in β ladder)trans-122141.3-172.8-57.1-104.2000109.8V146 M188 I189 A191 S200 L209 I224 V225 G238 K242V146-Y240 HydrophobicContact CG2-CE1 3.8Å; V146-Y240 WeakPolarHBondContact CG2-OH 3.24Å; M188-Y240 CarbonylContact C-O 3.51Å; M188-Y240 VanDerWaalsContact CA-O 3.24Å; M188-Y240 WeakPolarHBondContact CA-O 3.39Å; I189-Y240 PolarHBondContact N-O 2.65Å; I189-Y240 PolarHBondContact O-N 2.6Å; A191-Y240 HydrophobicContact CB-CD2 4.2Å; A191-Y240 HydrophobicContact CB-CE2 3.76Å; S200-Y240 PolarHBondContact OG-OH 2.83Å; L209-Y240 HydrophobicContact CB-CD1 3.72Å; L209-Y240 HydrophobicContact CB-CE1 3.94Å; L209-Y240 HydrophobicContact CB-CG 4.42Å; L209-Y240 HydrophobicContact CD1-CE1 4.14Å; L209-Y240 HydrophobicContact CD2-CD1 4.15Å; L209-Y240 HydrophobicContact CD2-CD2 4.28Å; L209-Y240 HydrophobicContact CD2-CE1 4.49Å; L209-Y240 HydrophobicContact CD2-CG 4.05Å; L209-Y240 HydrophobicContact CG-CD1 4.36Å; L209-Y240 HydrophobicContact CG-CE1 4.42Å; I224-Y240 CarbonylContact O-C 3.56Å; I224-Y240 WeakPolarHBondContact O-CA 3.15Å; I224-Y240 WeakPolarHBondContact O-CB 3.46Å; V225-Y240 HydrophobicContact CB-CD1 4.42Å; V225-Y240 HydrophobicContact CB-CE1 4.34Å; V225-Y240 HydrophobicContact CG2-CD1 4.02Å; V225-Y240 HydrophobicContact CG2-CE1 3.6Å; G238-Y240 VanDerWaalsContact C-CE2 3.46Å; G238-Y240 WeakPolarHBondContact O-CD2 3.34Å; G238-Y240 WeakPolarHBondContact O-CE2 3.38Å; Y240-K242 PolarHBondContact O-N 3.02Å
241S97.4Very high86.7Confident0 Ų026.2 Ų26.20%015%0.148CC..EExtended strand (participates in β ladder)trans-66.4124.7169.5-114.50000110.1D109 G223 I224 V243D109-S241 VanDerWaalsContact C-OG 3.26Å; D109-S241 WeakPolarHBondContact CA-OG 3.32Å; D109-S241 PolarHBondContact N-OG 3.45Å; D109-S241 VanDerWaalsContact N-OG 3.11Å; D109-S241 VanDerWaalsContact O-CB 3.29Å; D109-S241 WeakPolarHBondContact O-CB 3.14Å; D109-S241 PolarHBondContact O-OG 3.08Å; G223-S241 CarbonylContact C-O 3.59Å; G223-S241 VanDerWaalsContact CA-O 3.26Å; G223-S241 WeakPolarHBondContact CA-O 3.24Å; I224-S241 PolarHBondContact N-O 3.44Å; I224-S241 VanDerWaalsContact N-O 3.07Å; I224-S241 PolarHBondContact O-N 3.3Å; S241-V243 PolarHBondContact O-N 2.97Å
242K97.7Very high87.9Confident32 Ų3226.2 Ų26.214%0.13915%0.154CC..EExtended strand (participates in β ladder)trans-76.2100.5-174.6178.7173.3-81.8-172.10111.7T185 D186 V187 M188 I189 Y240 S244 S245 F246T185-K242 WeakPolarHBondContact O-CE 3.24Å; T185-K242 PolarHBondContact O-NZ 3.26Å; D186-K242 WeakPolarHBondContact O-CD 3.25Å; V187-K242 VanDerWaalsContact O-CB 3.31Å; V187-K242 WeakPolarHBondContact O-CB 3.4Å; V187-K242 PolarHBondContact O-N 2.84Å; M188-K242 WeakPolarHBondContact O-CE 3.06Å; I189-K242 HydrophobicContact CD1-CB 4.12Å; I189-K242 HydrophobicContact CD1-CG 3.98Å; I189-K242 HydrophobicContact CG1-CB 3.91Å; I189-K242 HydrophobicContact CG1-CD 4.36Å; I189-K242 VanDerWaalsContact CG1-CE 3.46Å; I189-K242 HydrophobicContact CG1-CG 4.01Å; Y240-K242 PolarHBondContact O-N 3.02Å; K242-S244 VanDerWaalsContact C-N 3.32Å; K242-S244 WeakPolarHBondContact CG-OG 3.5Å; K242-S244 PolarHBondContact O-N 3.38Å; K242-S245 WeakPolarHBondContact O-CB 3.33Å; K242-S245 PolarHBondContact O-N 3.25Å; K242-S245 PolarHBondContact O-OG 3.24Å; K242-F246 WeakPolarHBondContact O-CE2 3.09Å
243V98.1Very high89.5Confident0 Ų025.4 Ų25.40%015%0.146CC..G310 helixtrans-60-39.1-172.9175.10000113.1L58 L130 P131 Q221 H222 I224 S241 S245 F246 V247 I250L58-V243 HydrophobicContact CD2-CG1 4.25Å; L58-V243 HydrophobicContact CD2-CG2 4.13Å; L130-V243 HydrophobicContact CD2-CG1 3.7Å; P131-V243 HydrophobicContact CG-CG1 4.31Å; Q221-V243 HydrophobicContact CG-CG2 4.18Å; H222-V243 WeakPolarHBondContact O-CB 3.14Å; H222-V243 PolarHBondContact O-N 3.4Å; I224-V243 HydrophobicContact CD1-CG2 4.2Å; I224-V243 HydrophobicContact CG1-CG2 3.75Å; S241-V243 PolarHBondContact O-N 2.97Å; V243-S245 PolarHBondContact O-N 3.01Å; V243-F246 WeakPolarHBondContact O-CA 3.46Å; V243-F246 PolarHBondContact O-N 3.3Å; V243-V247 WeakPolarHBondContact O-CG1 3.15Å; V243-V247 PolarHBondContact O-N 2.71Å; V243-I250 HydrophobicContact CG1-CD1 4.14Å
244S97.4Very high90.9Very high0 Ų022.3 Ų22.30%013%0.132CC..G310 helixtrans-54-36.6175.543.10000112.1A134 Q137 K242 F246 V247A134-S244 WeakPolarHBondContact CA-O 3.43Å; Q137-S244 PolarHBondContact NE2-OG 3.36Å; Q137-S244 PolarHBondContact OE1-OG 2.83Å; K242-S244 VanDerWaalsContact C-N 3.32Å; K242-S244 WeakPolarHBondContact CG-OG 3.5Å; K242-S244 PolarHBondContact O-N 3.38Å; S244-F246 PolarHBondContact O-N 2.92Å; S244-V247 WeakPolarHBondContact O-CG2 3.33Å; S244-V247 PolarHBondContact O-N 3.47Å
245S96.6Very high91.8Very high41 Ų4124.4 Ų24.429%0.28713%0.132SC..G310 helixtrans-71.6-9.9177.3740000114.1D186 K242 V243D186-S245 WeakPolarHBondContact O-CB 3.24Å; K242-S245 WeakPolarHBondContact O-CB 3.33Å; K242-S245 PolarHBondContact O-N 3.25Å; K242-S245 PolarHBondContact O-OG 3.24Å; V243-S245 PolarHBondContact O-N 3.01Å
246F94.7Very high92Very high3 Ų323.4 Ų23.41%0.01314%0.135CC..G310 helixtrans-113.3-2.6-178.6-47-35.1000113.5H98 R108 A110 V187 K242 V243 S244 D248 W249 I250H98-F246 AromaticContact CD2-CD1 3.73Å; H98-F246 AromaticContact NE2-CD1 3.66Å; R108-F246 HydrophobicContact CB-CE1 3.8Å; R108-F246 HydrophobicContact CB-CZ 4Å; R108-F246 HydrophobicContact CG-CE1 3.7Å; R108-F246 HydrophobicContact CG-CZ 4.18Å; A110-F246 HydrophobicContact CB-CD2 3.83Å; A110-F246 HydrophobicContact CB-CE2 3.95Å; V187-F246 HydrophobicContact CB-CE1 4.28Å; V187-F246 HydrophobicContact CB-CZ 4.35Å; V187-F246 HydrophobicContact CG1-CE1 4.35Å; K242-F246 WeakPolarHBondContact O-CE2 3.09Å; V243-F246 WeakPolarHBondContact O-CA 3.46Å; V243-F246 PolarHBondContact O-N 3.3Å; S244-F246 PolarHBondContact O-N 2.92Å; F246-D248 PolarHBondContact O-N 2.78Å; F246-D248 VanDerWaalsContact O-N 3.13Å; F246-W249 HydrophobicContact CB-CE3 4.1Å; F246-W249 WeakPolarHBondContact O-CB 3.04Å; F246-W249 PolarHBondContact O-N 2.87Å; F246-I250 HydrophobicContact CB-CD1 4.18Å; F246-I250 HydrophobicContact CB-CG1 4.31Å; F246-I250 WeakPolarHBondContact O-CG1 3.5Å; F246-I250 PolarHBondContact O-N 3.35Å
247V94.3Very high91.2Very high2 Ų225.8 Ų25.81%0.01216%0.163CC..Hα-helixtrans-57.3-34.7-170-66.30000113.7P131 V243 S244 I250 N251P131-V247 HydrophobicContact CB-CG1 4.07Å; P131-V247 HydrophobicContact CG-CG1 4.35Å; P131-V247 WeakPolarHBondContact O-CG1 3.21Å; V243-V247 WeakPolarHBondContact O-CG1 3.15Å; V243-V247 PolarHBondContact O-N 2.71Å; S244-V247 WeakPolarHBondContact O-CG2 3.33Å; S244-V247 PolarHBondContact O-N 3.47Å; V247-I250 PolarHBondContact O-N 2.9Å; V247-N251 VanDerWaalsContact O-CB 3.23Å; V247-N251 WeakPolarHBondContact O-CB 3.23Å; V247-N251 PolarHBondContact O-N 3.33Å; V247-N251 PolarHBondContact O-ND2 2.94Å
248D93.1Very high89.4Confident130 Ų13036.1 Ų36.170%0.69521%0.208SC*.Hα-helixtrans-68.5-43.1177.8-70.9-17.3000111.7F246 N251 G252F246-D248 PolarHBondContact O-N 2.78Å; F246-D248 VanDerWaalsContact O-N 3.13Å; D248-N251 PolarHBondContact O-N 2.94Å; D248-G252 PolarHBondContact O-N 2.61Å
249W94.4Very high87.7Confident13 Ų1346.4 Ų46.45%0.04925%0.247CC..Hα-helixtrans-63.7-44.2173.9166.873.3000111.2H98 A110 L112 F246 G252 T253H98-W249 HydrophobicContact CB-CH2 4.16Å; H98-W249 HydrophobicContact CB-CZ2 4.27Å; H98-W249 HydrophobicContact CB-CZ3 4.35Å; H98-W249 AromaticContact CD2-CD2 3.68Å; H98-W249 AromaticContact CD2-CE3 3.61Å; H98-W249 AromaticContact CD2-CG 4Å; A110-W249 HydrophobicContact CB-CH2 4.45Å; A110-W249 HydrophobicContact CB-CZ3 4.08Å; L112-W249 HydrophobicContact CB-CH2 4.26Å; L112-W249 HydrophobicContact CD1-CD2 4.24Å; L112-W249 HydrophobicContact CD1-CE3 4.13Å; L112-W249 HydrophobicContact CD1-CH2 3.62Å; L112-W249 HydrophobicContact CD1-CZ2 3.65Å; L112-W249 HydrophobicContact CD1-CZ3 3.85Å; L112-W249 HydrophobicContact CG-CH2 3.5Å; L112-W249 VanDerWaalsContact CG-CH2 3.5Å; L112-W249 HydrophobicContact CG-CZ2 3.97Å; L112-W249 HydrophobicContact CG-CZ3 3.82Å; F246-W249 HydrophobicContact CB-CE3 4.1Å; F246-W249 WeakPolarHBondContact O-CB 3.04Å; F246-W249 PolarHBondContact O-N 2.87Å; W249-G252 PolarHBondContact O-N 2.88Å; W249-T253 PolarHBondContact NE1-OG1 2.75Å; W249-T253 VanDerWaalsContact O-CB 3.3Å; W249-T253 WeakPolarHBondContact O-CB 3.34Å; W249-T253 PolarHBondContact O-N 3.22Å; W249-T253 PolarHBondContact O-OG1 3.16Å
250I95.2Very high85.7Confident0 Ų051.7 Ų51.70%028%0.284CS..Hα-helixtrans-60.5-50.8176.7-60.9171.7000109.8L52 L58 L112 L130 V243 F246 V247 G252 T253 V254L52-I250 HydrophobicContact CD1-CG2 3.76Å; L58-I250 HydrophobicContact CD1-CD1 4.17Å; L58-I250 HydrophobicContact CD2-CD1 4.1Å; L112-I250 HydrophobicContact CD2-CG1 4.38Å; L112-I250 HydrophobicContact CD2-CG2 4.12Å; L130-I250 HydrophobicContact CD1-CB 4.39Å; L130-I250 HydrophobicContact CD1-CD1 4.38Å; L130-I250 HydrophobicContact CD1-CG2 3.58Å; L130-I250 HydrophobicContact CD2-CD1 4.37Å; V243-I250 HydrophobicContact CG1-CD1 4.14Å; F246-I250 HydrophobicContact CB-CD1 4.18Å; F246-I250 HydrophobicContact CB-CG1 4.31Å; F246-I250 WeakPolarHBondContact O-CG1 3.5Å; F246-I250 PolarHBondContact O-N 3.35Å; V247-I250 PolarHBondContact O-N 2.9Å; I250-G252 PolarHBondContact O-N 3.23Å; I250-T253 PolarHBondContact O-N 2.78Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CB 3.48Å; I250-V254 VanDerWaalsContact O-CG2 3.26Å; I250-V254 WeakPolarHBondContact O-CG2 3.09Å; I250-V254 PolarHBondContact O-N 3.34Å
251N93.2Very high83.7Confident43 Ų4353.6 Ų53.623%0.2330%0.296CS..Hα-helixtrans-64.1-42.3-177.8-76.3-39.5000112.3V247 D248 Y255 G256V247-N251 VanDerWaalsContact O-CB 3.23Å; V247-N251 WeakPolarHBondContact O-CB 3.23Å; V247-N251 PolarHBondContact O-N 3.33Å; V247-N251 PolarHBondContact O-ND2 2.94Å; D248-N251 PolarHBondContact O-N 2.94Å; N251-Y255 HydrophobicContact CB-CD2 4.42Å; N251-Y255 WeakPolarHBondContact O-CA 3.39Å; N251-Y255 WeakPolarHBondContact O-CB 3.35Å; N251-Y255 PolarHBondContact O-N 2.8Å; N251-Y255 WeakPolarHBondContact OD1-CD2 3.31Å; N251-G256 PolarHBondContact O-N 3.27Å
252G92.3Very high81.8Confident33 Ų3358.8 Ų58.834%0.3433%0.328SS..Hα-helixtrans-62.1-41.6176.100000112.4D248 W249 I250 G256D248-G252 PolarHBondContact O-N 2.61Å; W249-G252 PolarHBondContact O-N 2.88Å; I250-G252 PolarHBondContact O-N 3.23Å; G252-G256 VanDerWaalsContact O-CA 3.23Å; G252-G256 WeakPolarHBondContact O-CA 3.46Å; G252-G256 PolarHBondContact O-N 2.93Å
253T92.3Very high79.9Confident12 Ų1258.5 Ų58.57%0.07433%0.331CS..Hα-helixtrans-74.6-45.5-179.1-53.90000112.4W56 Y96 L112 W249 I250 P261W56-T253 HydrophobicContact CH2-CG2 4.06Å; W56-T253 HydrophobicContact CZ3-CG2 4.03Å; Y96-T253 HydrophobicContact CD1-CG2 4.25Å; Y96-T253 HydrophobicContact CG-CG2 4.29Å; L112-T253 HydrophobicContact CD1-CG2 3.62Å; W249-T253 PolarHBondContact NE1-OG1 2.75Å; W249-T253 VanDerWaalsContact O-CB 3.3Å; W249-T253 WeakPolarHBondContact O-CB 3.34Å; W249-T253 PolarHBondContact O-N 3.22Å; W249-T253 PolarHBondContact O-OG1 3.16Å; I250-T253 PolarHBondContact O-N 2.78Å; T253-P261 HydrophobicContact CG2-CB 3.91Å; T253-P261 HydrophobicContact CG2-CG 3.8Å
254V92.1Very high78.5Confident16 Ų1660 Ų6010%0.09735%0.347CS..Hα-helixtrans-84.8-36.3-170.9177.30000112.2L52 N53 W56 L112 I250L52-V254 HydrophobicContact CD1-CG2 4.19Å; N53-V254 WeakPolarHBondContact ND2-CG1 3.39Å; W56-V254 HydrophobicContact CB-CG1 3.98Å; W56-V254 HydrophobicContact CB-CG2 4.22Å; W56-V254 HydrophobicContact CD2-CG1 4.33Å; W56-V254 HydrophobicContact CD2-CG2 4.02Å; W56-V254 HydrophobicContact CE3-CG2 4.07Å; W56-V254 HydrophobicContact CG-CB 4.43Å; W56-V254 HydrophobicContact CG-CG1 3.78Å; W56-V254 HydrophobicContact CG-CG2 4.12Å; L112-V254 HydrophobicContact CD1-CG2 4.08Å; L112-V254 HydrophobicContact CD2-CG2 4.02Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CB 3.48Å; I250-V254 VanDerWaalsContact O-CG2 3.26Å; I250-V254 WeakPolarHBondContact O-CG2 3.09Å; I250-V254 PolarHBondContact O-N 3.34Å
255Y87.1Confident77.8Confident114 Ų11463.8 Ų63.845%0.44737%0.367SS..Hα-helixtrans-118.8-8.9-172.8-53.5-66.1000114.1N251 G257N251-Y255 HydrophobicContact CB-CD2 4.42Å; N251-Y255 WeakPolarHBondContact O-CA 3.39Å; N251-Y255 WeakPolarHBondContact O-CB 3.35Å; N251-Y255 PolarHBondContact O-N 2.8Å; N251-Y255 WeakPolarHBondContact OD1-CD2 3.31Å; Y255-G257 VanDerWaalsContact C-N 3.3Å; Y255-G257 PolarHBondContact O-N 3.19Å
256G74.9Confident77.3Confident34 Ų3464.6 Ų64.635%0.35137%0.37SS..SBendtrans-77.87.2-169.900000117.5N251 G252N251-G256 PolarHBondContact O-N 3.27Å; G252-G256 VanDerWaalsContact O-CA 3.23Å; G252-G256 WeakPolarHBondContact O-CA 3.46Å; G252-G256 PolarHBondContact O-N 2.93Å
257G60.6Low76.9Confident65 Ų6565.4 Ų65.467%0.6737%0.374SS*.THydrogen-bonded Turntrans60.4-157.8-179.700000113.1Y255 R259Y255-G257 VanDerWaalsContact C-N 3.3Å; Y255-G257 PolarHBondContact O-N 3.19Å; G257-R259 PolarHBondContact O-N 2.91Å
258K49.2Very low76.5Confident220 Ų22068.9 Ų68.996%0.95739%0.393SS*.THydrogen-bonded Turntrans-63.95.8-174.7-69.3-175.1178.7-179.30115.9S260K258-S260 PolarHBondContact O-N 3.27Å
259R53.3Low76.1Confident217 Ų21762.9 Ų62.982%0.81936%0.361SS*.SBendtrans-71.8113.2168.6-72.3-173.3175.5-177.7-0.6106.4G257 P261G257-R259 PolarHBondContact O-N 2.91Å; R259-P261 VanDerWaalsContact O-N 3.07Å
260S51.6Low75.2Confident111 Ų11165.5 Ų65.578%0.77638%0.381SS*.  trans-43.6122.9175.2-87.90000107.8K258 T262K258-S260 PolarHBondContact O-N 3.27Å; S260-T262 PolarHBondContact O-N 3.24Å
261P52.7Low73.9Confident40 Ų4069.4 Ų69.426%0.2641%0.413SS..  trans-47.1143.2171.7-2633.9000108Y96 T253 R259 A263Y96-P261 HydrophobicContact CD1-CG 4.43Å; Y96-P261 HydrophobicContact CE1-CG 4.13Å; T253-P261 HydrophobicContact CG2-CB 3.91Å; T253-P261 HydrophobicContact CG2-CG 3.8Å; R259-P261 VanDerWaalsContact O-N 3.07Å; P261-A263 HydrophobicContact CB-CB 3.75Å; P261-A263 PolarHBondContact O-N 3.05Å
262T57.9Low72.5Confident108 Ų10870 Ų7066%0.66342%0.416SS*.  trans-67.250.8155.742.50000108.5P99 S260P99-T262 WeakPolarHBondContact CB-O 3.47Å; P99-T262 WeakPolarHBondContact CD-O 3.28Å; P99-T262 WeakPolarHBondContact CG-O 3.48Å; S260-T262 PolarHBondContact O-N 3.24Å
263A56.9Low70.7Confident26 Ų2673.4 Ų73.422%0.21543%0.426CS..  trans-74.5142.2173.800000107.4Y96 P261 V266Y96-A263 HydrophobicContact CD1-CB 3.76Å; P261-A263 HydrophobicContact CB-CB 3.75Å; P261-A263 PolarHBondContact O-N 3.05Å; A263-V266 HydrophobicContact CB-CG2 3.62Å
264G68.5Low68.5Low33 Ų3376 Ų7634%0.3446%0.456SS..SBendtrans-72-125.4163.100000109.1F97 V266F97-G264 PolarHBondContact O-N 2.82Å; G264-V266 PolarHBondContact O-N 3.48Å
265L82.9Confident65.9Low78 Ų7883 Ų8341%0.40849%0.487SS..SBendtrans-59.1132.6171.9177.669.8000111.3M68 F97 I267M68-L265 HydrophobicContact CE-CD1 4.15Å; M68-L265 HydrophobicContact CE-CD2 3.23Å; M68-L265 HydrophobicContact CE-CG 4.27Å; M68-L265 HydrophobicContact SD-CD2 3.38Å; M68-L265 WeakPolarHBondContact SD-CD2 3.12Å; F97-L265 HydrophobicContact CB-CB 4.39Å; F97-L265 HydrophobicContact CD2-CB 4.15Å; F97-L265 HydrophobicContact CD2-CD2 3.91Å; F97-L265 HydrophobicContact CD2-CG 4.13Å; F97-L265 HydrophobicContact CE2-CD2 3.9Å; F97-L265 HydrophobicContact CE2-CG 4.46Å; F97-L265 HydrophobicContact CG-CB 4.47Å; F97-L265 HydrophobicContact CZ-CD2 4.46Å; F97-L265 PolarHBondContact N-O 3.41Å; L265-I267 HydrophobicContact CD2-CG1 4.38Å; L265-I267 HydrophobicContact CG-CG1 4.42Å
266V85.7Confident63.8Low59 Ų5983.6 Ų83.636%0.35849%0.494SS..EExtended strand (participates in β ladder)trans-119.6125.8169-175.90000108.7V95 Y96 A263 G264V95-V266 CarbonylContact O-C 3.6Å; V95-V266 VanDerWaalsContact O-CA 3.31Å; V95-V266 WeakPolarHBondContact O-CA 3.29Å; Y96-V266 HydrophobicContact CD1-CB 4.26Å; Y96-V266 HydrophobicContact CD1-CG1 3.84Å; Y96-V266 HydrophobicContact CD1-CG2 3.41Å; Y96-V266 VanDerWaalsContact CD1-CG2 3.41Å; Y96-V266 HydrophobicContact CE1-CB 4.41Å; Y96-V266 HydrophobicContact CE1-CG1 3.69Å; Y96-V266 HydrophobicContact CE1-CG2 3.75Å; Y96-V266 HydrophobicContact CE2-CG1 4.44Å; Y96-V266 HydrophobicContact CG-CG1 4.26Å; Y96-V266 HydrophobicContact CG-CG2 4.24Å; A263-V266 HydrophobicContact CB-CG2 3.62Å; G264-V266 PolarHBondContact O-N 3.48Å
267I86.2Confident61.6Low19 Ų1990.4 Ų90.410%0.09752%0.523CS..EExtended strand (participates in β ladder)trans-98.1119.2172.8-53.9177.5000107.7M68 K94 V95 F97 L265 L269M68-I267 HydrophobicContact CB-CD1 4.14Å; M68-I267 HydrophobicContact CG-CD1 3.68Å; M68-I267 HydrophobicContact SD-CD1 4.29Å; K94-I267 VanDerWaalsContact CA-O 3.24Å; K94-I267 WeakPolarHBondContact CA-O 3.39Å; V95-I267 HydrophobicContact CB-CB 4.22Å; V95-I267 PolarHBondContact N-O 3.46Å; V95-I267 PolarHBondContact O-N 2.91Å; F97-I267 HydrophobicContact CE2-CD1 3.65Å; F97-I267 HydrophobicContact CE2-CG1 4.05Å; F97-I267 HydrophobicContact CZ-CD1 4.21Å; L265-I267 HydrophobicContact CD2-CG1 4.38Å; L265-I267 HydrophobicContact CG-CG1 4.42Å; I267-L269 HydrophobicContact CG2-CD2 3.61Å; I267-L269 HydrophobicContact CG2-CG 4.15Å
268D85.9Confident60.7Low75 Ų7592.7 Ų92.740%0.40153%0.528SS..EExtended strand (participates in β ladder)trans-96.3115.5175.1-162.2-31.7000109.9K94 S270K94-D268 WeakPolarHBondContact CE-OD2 3.41Å; K94-D268 IonicContact NZ-OD2 3.58Å; K94-D268 PolarHBondContact NZ-OD2 3.08Å; D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 3.29Å; D268-S270 PolarHBondContact OD1-OG 3.4Å
269L84.4Confident60.1Low5 Ų588.3 Ų88.33%0.02652%0.52CS..  trans-104.25.8-176.5-55.1170.7000111.9Y73 V92 E93 V95 I267 A271 I272Y73-L269 HydrophobicContact CD2-CD1 3.63Å; Y73-L269 HydrophobicContact CE2-CD1 4.15Å; V92-L269 HydrophobicContact CB-CD1 4.14Å; V92-L269 HydrophobicContact CG1-CD1 4Å; E93-L269 WeakPolarHBondContact O-CA 3.41Å; E93-L269 WeakPolarHBondContact O-CB 3.33Å; E93-L269 PolarHBondContact O-N 2.83Å; V95-L269 HydrophobicContact CG2-CD1 4.16Å; I267-L269 HydrophobicContact CG2-CD2 3.61Å; I267-L269 HydrophobicContact CG2-CG 4.15Å; L269-A271 PolarHBondContact O-N 3.26Å; L269-I272 HydrophobicContact CB-CD1 4.28Å; L269-I272 HydrophobicContact CD2-CD1 3.53Å; L269-I272 PolarHBondContact O-N 2.92Å
270S76.4Confident59.3Low67 Ų6785.5 Ų85.547%0.46952%0.521SS..G310 helixtrans-59.5-33.2-175.656.90000113.4D268D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 3.29Å; D268-S270 PolarHBondContact OD1-OG 3.4Å
271A67Low59Low83 Ų8385.2 Ų85.269%0.68651%0.51SS*.G310 helixtrans-84.4-10.4-176.200000115.2L269 D273L269-A271 PolarHBondContact O-N 3.26Å; A271-D273 VanDerWaalsContact C-N 3.27Å; A271-D273 PolarHBondContact O-N 3.05Å
272I65.2Low58.8Low55 Ų5591 Ų9128%0.28253%0.534SS..G310 helixtrans-77.3-10.9-169.4-55.4178.4000112.6S72 L269 G274S72-I272 WeakPolarHBondContact OG-CG2 3.42Å; L269-I272 HydrophobicContact CB-CD1 4.28Å; L269-I272 HydrophobicContact CD2-CD1 3.53Å; L269-I272 PolarHBondContact O-N 2.92Å; I272-G274 PolarHBondContact O-N 3.19Å; I272-G274 VanDerWaalsContact O-N 3.13Å
273D54.9Low58.3Low105 Ų10591 Ų9156%0.56154%0.538SS*.G310 helixtrans-75.23.8-177.7-116.9-9.2000115.2R37 K116 A271R37-D273 IonicContact NH1-OD1 3.54Å; R37-D273 PolarHBondContact NH1-OD1 2.83Å; K116-D273 IonicContact NZ-OD2 2.98Å; K116-D273 PolarHBondContact NZ-OD2 3.36Å; A271-D273 VanDerWaalsContact C-N 3.27Å; A271-D273 PolarHBondContact O-N 3.05Å
274G44.5Very low57.9Low67 Ų6791.7 Ų91.769%0.69154%0.541SS*.G310 helixtrans-129.3-2.4-166.600000118.3I272I272-G274 PolarHBondContact O-N 3.19Å; I272-G274 VanDerWaalsContact O-N 3.13Å
275Q38.7Very low56.8Low162 Ų16294 Ų9476%0.75754%0.54SS*.  trans-141.2125.6179.5-76.2179.3-43.200109.3
276Q42.9Very low55.2Low127 Ų12796.1 Ų96.159%0.59355%0.55SS**  trans14669.5144.3-75.7163.715.300112.6I39I39-Q276 HydrophobicContact CD1-CB 4.32Å
277N28.3Very low53.2Low177 Ų177102.4 Ų102.495%0.94757%0.567SS**  trans-88.2100.3146.6-87.9-13.1000107
278S41.6Very low51.4Low113 Ų113106.1 Ų106.179%0.7958%0.584SS**  trans-157108.7162.3-176.50000109.6
279T35.9Very low49.6Very low128 Ų128107.1 Ų107.179%0.78559%0.587SS**  trans-89.7115.217841.20000109.4
280D36.5Very low47.9Very low158 Ų158112.7 Ų112.785%0.84561%0.613SS**  trans-173.252.5156.4-112.2-9.3000117.3
281I45.8Very low46.3Very low105 Ų105117.1 Ų117.154%0.53862%0.62SS.*  trans-152.199.8168.4-40.9171.2000112.3S284 R285I281-S284 VanDerWaalsContact CG2-CB 3.5Å; I281-S284 WeakPolarHBondContact CG2-OG 3.35Å; I281-R285 PolarHBondContact O-NE 3.23Å; I281-R285 PolarHBondContact O-NH2 2.03Å
282Q48.7Very low45.4Very low162 Ų162114.9 Ų114.976%0.75760%0.595SS**SBendtrans-100.4-22.2176.9-106.9178.8-20.900114.9R285Q282-R285 VanDerWaalsContact CG-NH1 3.29Å; Q282-R285 WeakPolarHBondContact O-CG 3.49Å
283S46.9Very low44.6Very low107 Ų107116.1 Ų116.175%0.74860%0.603SS**SBendtrans-102.5-12.5-173.756.90000115.5R285S283-R285 PolarHBondContact O-N 3.05Å
284S48.3Very low44Very low41 Ų41113.5 Ų113.529%0.28760%0.596SS.*SBendtrans-74.5-11.3167.276.30000112.8I281 Q288I281-S284 VanDerWaalsContact CG2-CB 3.5Å; I281-S284 WeakPolarHBondContact CG2-OG 3.35Å; S284-Q288 WeakPolarHBondContact O-CB 3.44Å; S284-Q288 PolarHBondContact O-N 2.65Å; S284-Q288 VanDerWaalsContact O-N 3.11Å
285R47.1Very low43.9Very low82 Ų82112.7 Ų112.731%0.30958%0.575SS.*Hα-helixtrans-69.8-39.3-161.8-68.9-173.6-176.417113114.7I281 Q282 S283 Q289I281-R285 PolarHBondContact O-NE 3.23Å; I281-R285 PolarHBondContact O-NH2 2.03Å; Q282-R285 VanDerWaalsContact CG-NH1 3.29Å; Q282-R285 WeakPolarHBondContact O-CG 3.49Å; S283-R285 PolarHBondContact O-N 3.05Å; R285-Q289 PolarHBondContact O-N 2.89Å
286I48.8Very low44.3Very low122 Ų122107.2 Ų107.263%0.62656%0.557SS**Hα-helixtrans-70.6-47.8-179.6-62.6175.5000110.1Q288 Q289 E290I286-Q288 VanDerWaalsContact C-N 3.26Å; I286-Q288 PolarHBondContact O-N 3.44Å; I286-Q289 PolarHBondContact O-N 2.85Å; I286-E290 HydrophobicContact CG2-CG 4.41Å; I286-E290 WeakPolarHBondContact O-CG 3.37Å; I286-E290 PolarHBondContact O-N 2.84Å
287R42.7Very low44.5Very low190 Ų190107 Ų10772%0.71756%0.556SS**Hα-helixtrans-61.3-35.1178-87.8-174.4-79.5-143.6-4.6112.9Y291R287-Y291 WeakPolarHBondContact O-CB 3.33Å; R287-Y291 PolarHBondContact O-N 3.45Å
288Q48.9Very low45.2Very low97 Ų97105.5 Ų105.545%0.45354%0.544SS..Hα-helixtrans-72.1-36.3178.7-166.2162.2-6.400111.9S284 I286 Y291 E292S284-Q288 WeakPolarHBondContact O-CB 3.44Å; S284-Q288 PolarHBondContact O-N 2.65Å; S284-Q288 VanDerWaalsContact O-N 3.11Å; I286-Q288 VanDerWaalsContact C-N 3.26Å; I286-Q288 PolarHBondContact O-N 3.44Å; Q288-Y291 PolarHBondContact O-N 3.02Å; Q288-E292 WeakPolarHBondContact O-CB 3.47Å; Q288-E292 VanDerWaalsContact O-CG 3.26Å; Q288-E292 WeakPolarHBondContact O-CG 3.48Å; Q288-E292 PolarHBondContact O-N 2.82Å
289Q47.9Very low45.7Very low96 Ų96103.3 Ų103.345%0.44952%0.52SS..Hα-helixtrans-70.1-46.3175-173.3135.17.900112.2R285 I286 Y291 E292 D293R285-Q289 PolarHBondContact O-N 2.89Å; I286-Q289 PolarHBondContact O-N 2.85Å; Q289-Y291 PolarHBondContact O-N 3.02Å; Q289-E292 PolarHBondContact O-N 3.45Å; Q289-E292 VanDerWaalsContact O-N 3.15Å; Q289-D293 WeakPolarHBondContact O-CB 3.46Å; Q289-D293 PolarHBondContact O-N 2.9Å
290E47.9Very low47Very low123 Ų12398.7 Ų98.758%0.57549%0.488SS*.Hα-helixtrans-58.6-38.4173.7-70.5173.3159.900111.4I286 A294I286-E290 HydrophobicContact CG2-CG 4.41Å; I286-E290 WeakPolarHBondContact O-CG 3.37Å; I286-E290 PolarHBondContact O-N 2.84Å; E290-A294 WeakPolarHBondContact O-CB 3.28Å; E290-A294 PolarHBondContact O-N 3.13Å
291Y43.8Very low48.7Very low160 Ų16092.8 Ų92.863%0.62746%0.458SS*.Hα-helixtrans-70.8-38.5176.5-170.3-104.9000112.6R287 Q288 Q289 I295R287-Y291 WeakPolarHBondContact O-CB 3.33Å; R287-Y291 PolarHBondContact O-N 3.45Å; Q288-Y291 PolarHBondContact O-N 3.02Å; Q289-Y291 PolarHBondContact O-N 3.02Å; Y291-I295 HydrophobicContact CD1-CD1 3.52Å; Y291-I295 HydrophobicContact CD1-CG1 4.35Å; Y291-I295 HydrophobicContact CE1-CD1 3.21Å; Y291-I295 HydrophobicContact CE1-CG1 4.17Å; Y291-I295 HydrophobicContact CG-CD1 4.37Å; Y291-I295 WeakPolarHBondContact O-CB 3.11Å; Y291-I295 WeakPolarHBondContact O-CG1 3.24Å; Y291-I295 PolarHBondContact O-N 3.05Å
292E48.3Very low50.2Low35 Ų3588.1 Ų88.116%0.16443%0.434CS..Hα-helixtrans-70.3-39176.3-78.3-177.2-166.700112.5R36 Q288 Q289 I295 A296R36-E292 IonicContact CZ-OE2 2.74Å; R36-E292 IonicContact NH1-OE1 2.79Å; R36-E292 IonicContact NH1-OE2 2.69Å; R36-E292 PolarHBondContact NH1-OE2 2.85Å; R36-E292 IonicContact NH2-OE2 3.23Å; R36-E292 PolarHBondContact NH2-OE2 2.7Å; Q288-E292 WeakPolarHBondContact O-CB 3.47Å; Q288-E292 VanDerWaalsContact O-CG 3.26Å; Q288-E292 WeakPolarHBondContact O-CG 3.48Å; Q288-E292 PolarHBondContact O-N 2.82Å; Q289-E292 PolarHBondContact O-N 3.45Å; Q289-E292 VanDerWaalsContact O-N 3.15Å; E292-I295 WeakPolarHBondContact O-CB 3.39Å; E292-I295 PolarHBondContact O-N 3.19Å; E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.35Å
293D48Very low51.6Low81 Ų8185.4 Ų85.443%0.43343%0.429SS..Hα-helixtrans-70.3-40174.9-69.6-24.5000110.4Q289 A296 E297Q289-D293 WeakPolarHBondContact O-CB 3.46Å; Q289-D293 PolarHBondContact O-N 2.9Å; D293-A296 WeakPolarHBondContact O-CB 3.45Å; D293-A296 PolarHBondContact O-N 3.24Å; D293-E297 WeakPolarHBondContact O-CG 3.45Å; D293-E297 PolarHBondContact O-N 3.31Å
294A42.4Very low53.1Low51 Ų5183 Ų8342%0.42142%0.421SS..Hα-helixtrans-65.5-38.1173.200000112.5E290 E297 Q298E290-A294 WeakPolarHBondContact O-CB 3.28Å; E290-A294 PolarHBondContact O-N 3.13Å; A294-E297 PolarHBondContact O-N 2.78Å; A294-Q298 WeakPolarHBondContact O-CB 3.17Å; A294-Q298 PolarHBondContact O-N 3.11Å
295I43.5Very low54.4Low49 Ų4982 Ų8225%0.25141%0.412SS..Hα-helixtrans-59.8-52.2169.2-85.2174.2000108.9Y291 E292 E297 Q298 F299Y291-I295 HydrophobicContact CD1-CD1 3.52Å; Y291-I295 HydrophobicContact CD1-CG1 4.35Å; Y291-I295 HydrophobicContact CE1-CD1 3.21Å; Y291-I295 HydrophobicContact CE1-CG1 4.17Å; Y291-I295 HydrophobicContact CG-CD1 4.37Å; Y291-I295 WeakPolarHBondContact O-CB 3.11Å; Y291-I295 WeakPolarHBondContact O-CG1 3.24Å; Y291-I295 PolarHBondContact O-N 3.05Å; E292-I295 WeakPolarHBondContact O-CB 3.39Å; E292-I295 PolarHBondContact O-N 3.19Å; I295-E297 VanDerWaalsContact C-N 3.27Å; I295-E297 PolarHBondContact O-N 3.12Å; I295-Q298 PolarHBondContact O-N 3.47Å; I295-F299 HydrophobicContact CB-CD2 4.39Å; I295-F299 HydrophobicContact CB-CE2 4.2Å; I295-F299 HydrophobicContact CG1-CE2 4.38Å; I295-F299 HydrophobicContact CG2-CD2 3.63Å; I295-F299 HydrophobicContact CG2-CE2 3.52Å; I295-F299 WeakPolarHBondContact O-CD2 3.32Å; I295-F299 PolarHBondContact O-N 2.96Å
296A45.4Very low55.8Low47 Ų4781.7 Ų81.739%0.38842%0.416SS..Hα-helixtrans-56.5-43.5-17900000110.9E292 D293 F299E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 3.35Å; D293-A296 WeakPolarHBondContact O-CB 3.45Å; D293-A296 PolarHBondContact O-N 3.24Å; A296-F299 PolarHBondContact O-N 3.19Å
297E47Very low56.8Low122 Ų12277 Ų7757%0.5739%0.394SS*.Hα-helixtrans-63.5-41.4173.8-73.7-168.7174.900113D293 A294 I295 F299 W300D293-E297 WeakPolarHBondContact O-CG 3.45Å; D293-E297 PolarHBondContact O-N 3.31Å; A294-E297 PolarHBondContact O-N 2.78Å; I295-E297 VanDerWaalsContact C-N 3.27Å; I295-E297 PolarHBondContact O-N 3.12Å; E297-F299 VanDerWaalsContact C-N 3.25Å; E297-F299 PolarHBondContact O-N 2.61Å; E297-W300 PolarHBondContact O-N 3.38Å
298Q44.5Very low58.3Low146 Ų14671.2 Ų71.268%0.68239%0.386SS*.Hα-helixtrans-67.5-23.9179.8-165.2170.316.200113.2A294 I295A294-Q298 WeakPolarHBondContact O-CB 3.17Å; A294-Q298 PolarHBondContact O-N 3.11Å; I295-Q298 PolarHBondContact O-N 3.47Å
299F51.1Low59.7Low68 Ų6869.6 Ų69.630%0.29838%0.38SS..THydrogen-bonded Turntrans-90.92.4179.9-71.2-67.3000114.7L106 I295 A296 E297 T301L106-F299 WeakPolarHBondContact CD1-O 3.33Å; I295-F299 HydrophobicContact CB-CD2 4.39Å; I295-F299 HydrophobicContact CB-CE2 4.2Å; I295-F299 HydrophobicContact CG1-CE2 4.38Å; I295-F299 HydrophobicContact CG2-CD2 3.63Å; I295-F299 HydrophobicContact CG2-CE2 3.52Å; I295-F299 WeakPolarHBondContact O-CD2 3.32Å; I295-F299 PolarHBondContact O-N 2.96Å; A296-F299 PolarHBondContact O-N 3.19Å; E297-F299 VanDerWaalsContact C-N 3.25Å; E297-F299 PolarHBondContact O-N 2.61Å; F299-T301 VanDerWaalsContact C-N 3.29Å; F299-T301 PolarHBondContact O-N 3.29Å
300W64.2Low61Low31 Ų3165.4 Ų65.412%0.11736%0.36CS..THydrogen-bonded Turntrans-79.6-6.7175-88.294000114.7Q202 S205 V225 W227 G228 E297Q202-W300 VanDerWaalsContact CA-CZ2 3.47Å; Q202-W300 HydrophobicContact CB-CZ2 4.14Å; Q202-W300 HydrophobicContact CG-CD2 4.28Å; Q202-W300 HydrophobicContact CG-CZ2 3.97Å; S205-W300 WeakPolarHBondContact OG-CH2 3.44Å; S205-W300 WeakPolarHBondContact OG-CZ2 3.39Å; V225-W300 HydrophobicContact CG1-CH2 4.48Å; W227-W300 VanDerWaalsContact CB-O 3.24Å; W227-W300 WeakPolarHBondContact CB-O 3.36Å; G228-W300 PolarHBondContact N-O 2.89Å; G228-W300 VanDerWaalsContact O-O 3.1Å; E297-W300 PolarHBondContact O-N 3.38Å
301T72.3Confident62.1Low34 Ų3464.5 Ų64.521%0.20935%0.351CS..SBendtrans-141.9148.4179.158.60000111.2W227 F299 F305W227-T301 HydrophobicContact CE3-CG2 4.47Å; F299-T301 VanDerWaalsContact C-N 3.29Å; F299-T301 PolarHBondContact O-N 3.29Å; T301-F305 HydrophobicContact CG2-CD1 3.62Å; T301-F305 HydrophobicContact CG2-CE1 4.11Å
302P76.7Confident63.7Low6 Ų661.9 Ų61.94%0.03935%0.345CS..  trans-54.3148.9171.7-26.535000112.5L104 Y182 W227 G304 F305L104-P302 WeakPolarHBondContact O-CA 3.34Å; Y182-P302 HydrophobicContact CD1-CB 4.31Å; W227-P302 HydrophobicContact CD2-CG 4.07Å; W227-P302 VanDerWaalsContact CE3-CD 3.41Å; W227-P302 HydrophobicContact CE3-CG 4.26Å; W227-P302 HydrophobicContact CH2-CG 3.95Å; W227-P302 HydrophobicContact CZ2-CG 3.71Å; W227-P302 HydrophobicContact CZ3-CG 4.21Å; P302-G304 PolarHBondContact O-N 2.69Å; P302-F305 WeakPolarHBondContact O-CB 3.33Å; P302-F305 PolarHBondContact O-N 3.38Å
303V78.7Confident65Low105 Ų10564.5 Ų64.564%0.63635%0.353SS*.THydrogen-bonded Turntrans-57.8129.8176.5173.50000110.3L104 F305L104-V303 HydrophobicContact CB-CG2 4.16Å; L104-V303 HydrophobicContact CD2-CG2 3.83Å; L104-V303 PolarHBondContact O-N 2.94Å; V303-F305 VanDerWaalsContact C-N 3.3Å
304G76.7Confident66.2Low58 Ų5861.3 Ų61.360%0.59834%0.336SS*.THydrogen-bonded Turntrans823.1-178.800000114.3Y182 P302 D306Y182-G304 WeakPolarHBondContact CE1-O 3.43Å; Y182-G304 PolarHBondContact OH-O 3.06Å; P302-G304 PolarHBondContact O-N 2.69Å; G304-D306 PolarHBondContact O-N 3.14Å
305F76.1Confident67.8Low18 Ų1862.2 Ų62.28%0.07934%0.337CS..  trans-68.5121.6172-176-103.8000110.2Y179 Y182 W227 F229 T301 P302 V303 P307 M310Y179-F305 AromaticContact CD1-CE2 3.66Å; Y179-F305 HydrophobicContact CD1-CE2 3.66Å; Y179-F305 AromaticContact CD1-CZ 3.78Å; Y179-F305 HydrophobicContact CD1-CZ 3.78Å; Y179-F305 HydrophobicContact CE1-CE2 4.14Å; Y179-F305 AromaticContact CE1-CZ 3.76Å; Y179-F305 HydrophobicContact CE1-CZ 3.76Å; Y182-F305 HydrophobicContact CD1-CB 4Å; Y182-F305 AromaticContact CD1-CD2 3.83Å; Y182-F305 HydrophobicContact CD1-CD2 3.83Å; Y182-F305 HydrophobicContact CD1-CG 4.43Å; Y182-F305 HydrophobicContact CD2-CD2 4.13Å; Y182-F305 VanDerWaalsContact CE1-CA 3.43Å; Y182-F305 HydrophobicContact CE1-CB 3.94Å; Y182-F305 HydrophobicContact CE1-CD2 4.2Å; Y182-F305 HydrophobicContact CE2-CD2 4.47Å; Y182-F305 AromaticContact CG-CD2 3.76Å; Y182-F305 HydrophobicContact CG-CD2 3.76Å; Y182-F305 HydrophobicContact CG-CE2 4.47Å; W227-F305 HydrophobicContact CH2-CD2 4.49Å; W227-F305 HydrophobicContact CH2-CE2 4.4Å; W227-F305 HydrophobicContact CZ3-CD2 4.42Å; W227-F305 HydrophobicContact CZ3-CE1 4.46Å; W227-F305 HydrophobicContact CZ3-CE2 4.3Å; W227-F305 HydrophobicContact CZ3-CZ 4.32Å; F229-F305 HydrophobicContact CB-CE1 3.92Å; F229-F305 HydrophobicContact CG-CE1 4.42Å; T301-F305 HydrophobicContact CG2-CD1 3.62Å; T301-F305 HydrophobicContact CG2-CE1 4.11Å; P302-F305 WeakPolarHBondContact O-CB 3.33Å; P302-F305 PolarHBondContact O-N 3.38Å; V303-F305 VanDerWaalsContact C-N 3.3Å; F305-P307 HydrophobicContact CD1-CG 3.94Å; F305-P307 HydrophobicContact CE1-CB 4.04Å; F305-P307 HydrophobicContact CE1-CG 3.73Å; F305-M310 HydrophobicContact CD2-CG 4.5Å; F305-M310 HydrophobicContact CE2-CE 4.45Å; F305-M310 HydrophobicContact CE2-CG 3.67Å; F305-M310 HydrophobicContact CZ-CB 4.46Å; F305-M310 HydrophobicContact CZ-CG 4.03Å
306D76.9Confident69.4Low76 Ų7663.3 Ų63.341%0.40634%0.343SS..  trans-111.6106.4172.8-176.5-20.5000109.3G304 A308 M309 M310G304-D306 PolarHBondContact O-N 3.14Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3.18Å; D306-A308 WeakPolarHBondContact OD1-CB 3.17Å; D306-A308 PolarHBondContact OD1-N 3.34Å; D306-M309 HydrophobicContact CB-CB 3.83Å; D306-M309 HydrophobicContact CB-CE 4.43Å; D306-M309 PolarHBondContact O-N 2.94Å; D306-M309 PolarHBondContact OD1-N 3.09Å; D306-M309 VanDerWaalsContact OD1-N 3.16Å; D306-M310 PolarHBondContact O-N 3.21Å; D306-M310 VanDerWaalsContact O-N 3.13Å
307P70.3Confident70.7Confident25 Ų2565.2 Ų65.216%0.16234%0.342CS..Hα-helixtrans-62.2-35.9-179.6-19.528.9000114.3F229 F305 M310 R311F229-P307 HydrophobicContact CB-CB 4.43Å; F229-P307 HydrophobicContact CD1-CB 3.63Å; F229-P307 HydrophobicContact CD1-CG 4.32Å; F229-P307 HydrophobicContact CD2-CB 3.32Å; F229-P307 HydrophobicContact CD2-CG 3.06Å; F229-P307 HydrophobicContact CE1-CB 3.55Å; F229-P307 HydrophobicContact CE1-CG 4.38Å; F229-P307 HydrophobicContact CE2-CB 3.25Å; F229-P307 HydrophobicContact CE2-CG 3.14Å; F229-P307 HydrophobicContact CG-CB 3.48Å; F229-P307 VanDerWaalsContact CG-CB 3.48Å; F229-P307 HydrophobicContact CG-CG 3.69Å; F229-P307 HydrophobicContact CZ-CB 3.34Å; F229-P307 HydrophobicContact CZ-CG 3.81Å; F305-P307 HydrophobicContact CD1-CG 3.94Å; F305-P307 HydrophobicContact CE1-CB 4.04Å; F305-P307 HydrophobicContact CE1-CG 3.73Å; P307-M310 PolarHBondContact O-N 3.25Å; P307-R311 PolarHBondContact O-N 3.42Å
308A74.4Confident71.9Confident67 Ų6762.9 Ų62.955%0.55433%0.334SS*.Hα-helixtrans-69.3-41.1-179.400000110.2D306 M310 R311 Q312D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3.18Å; D306-A308 WeakPolarHBondContact OD1-CB 3.17Å; D306-A308 PolarHBondContact OD1-N 3.34Å; A308-M310 VanDerWaalsContact C-N 3.3Å; A308-M310 PolarHBondContact O-N 3.29Å; A308-R311 PolarHBondContact O-N 2.62Å; A308-Q312 PolarHBondContact O-N 2.79Å; A308-Q312 VanDerWaalsContact O-N 3.07Å
309M77Confident73.2Confident64 Ų6460 Ų6032%0.31532%0.323SS..Hα-helixtrans-60.8-39.6173.9-171.8-177.262.200111.7D306 R313D306-M309 HydrophobicContact CB-CB 3.83Å; D306-M309 HydrophobicContact CB-CE 4.43Å; D306-M309 PolarHBondContact O-N 2.94Å; D306-M309 PolarHBondContact OD1-N 3.09Å; D306-M309 VanDerWaalsContact OD1-N 3.16Å; M309-R313 WeakPolarHBondContact O-CG 3.3Å; M309-R313 PolarHBondContact O-N 3.23Å; M309-R313 VanDerWaalsContact O-N 3.11Å
310M74.9Confident73.9Confident8 Ų862.3 Ų62.34%0.03934%0.338CS..Hα-helixtrans-69.6-42.8178.7-71-56.9172.200113.4D180 Y182 F305 D306 P307 A308 Q312 R313 L314D180-M310 HydrophobicContact CB-CE 4.36Å; Y182-M310 HydrophobicContact CD2-CE 3.18Å; Y182-M310 HydrophobicContact CE2-CE 3.05Å; Y182-M310 HydrophobicContact CG-CE 4.37Å; F305-M310 HydrophobicContact CD2-CG 4.5Å; F305-M310 HydrophobicContact CE2-CE 4.45Å; F305-M310 HydrophobicContact CE2-CG 3.67Å; F305-M310 HydrophobicContact CZ-CB 4.46Å; F305-M310 HydrophobicContact CZ-CG 4.03Å; D306-M310 PolarHBondContact O-N 3.21Å; D306-M310 VanDerWaalsContact O-N 3.13Å; P307-M310 PolarHBondContact O-N 3.25Å; A308-M310 VanDerWaalsContact C-N 3.3Å; A308-M310 PolarHBondContact O-N 3.29Å; M310-Q312 VanDerWaalsContact C-N 3.31Å; M310-Q312 PolarHBondContact O-N 3.47Å; M310-R313 PolarHBondContact O-N 3.29Å; M310-L314 PolarHBondContact O-N 3.29Å
311R73Confident73.7Confident103 Ų10365.7 Ų65.739%0.38936%0.363SS..Hα-helixtrans-56.7-47173.4-75.8-175.8179.8-168.1-3.9111.1E233 Q236 P307 A308 R313 L314 V315E233-R311 IonicContact OE2-CZ 2.71Å; E233-R311 IonicContact OE2-NH1 3.53Å; E233-R311 IonicContact OE2-NH2 3.75Å; E233-R311 PolarHBondContact OE2-NH2 3.33Å; Q236-R311 VanDerWaalsContact CD-NE 3.34Å; P307-R311 PolarHBondContact O-N 3.42Å; A308-R311 PolarHBondContact O-N 2.62Å; R311-R313 VanDerWaalsContact C-N 3.33Å; R311-R313 PolarHBondContact O-N 2.84Å; R311-L314 PolarHBondContact O-N 2.74Å; R311-V315 WeakPolarHBondContact O-CG2 3.39Å; R311-V315 PolarHBondContact O-N 2.91Å; R311-V315 VanDerWaalsContact O-N 3.08Å
312Q77.1Confident72.8Confident105 Ų10571.9 Ų71.949%0.49139%0.389SS..Hα-helixtrans-60.3-43.7179.2-171.459.84800111.7A308 M310 L314 V315 D316A308-Q312 PolarHBondContact O-N 2.79Å; A308-Q312 VanDerWaalsContact O-N 3.07Å; M310-Q312 VanDerWaalsContact C-N 3.31Å; M310-Q312 PolarHBondContact O-N 3.47Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 3.41Å; Q312-V315 PolarHBondContact O-N 2.83Å; Q312-D316 PolarHBondContact NE2-OD1 3.21Å; Q312-D316 PolarHBondContact O-N 3.16Å
313R74.6Confident71.6Confident91 Ų9177.7 Ų77.734%0.34342%0.424SS..Hα-helixtrans-61.5-36.6177.3-74.2175.5-179.1-161.91.9113.2D180 M309 M310 R311 K317D180-R313 IonicContact OD2-NH1 3.78Å; D180-R313 PolarHBondContact OD2-NH1 3.06Å; M309-R313 WeakPolarHBondContact O-CG 3.3Å; M309-R313 PolarHBondContact O-N 3.23Å; M309-R313 VanDerWaalsContact O-N 3.11Å; M310-R313 PolarHBondContact O-N 3.29Å; R311-R313 VanDerWaalsContact C-N 3.33Å; R311-R313 PolarHBondContact O-N 2.84Å; R313-K317 WeakPolarHBondContact O-CB 3.45Å; R313-K317 WeakPolarHBondContact O-CG 3.17Å; R313-K317 PolarHBondContact O-N 3.07Å
314L72.9Confident69.8Low13 Ų1386.5 Ų86.57%0.06845%0.446CS..Hα-helixtrans-66.8-45.1176.4-77.6162.7000111.5Q177 F178 D235 M310 R311 Q312 D316 K317 N318Q177-L314 WeakPolarHBondContact O-CD2 3.49Å; F178-L314 HydrophobicContact CD1-CD1 3.83Å; F178-L314 HydrophobicContact CD1-CD2 3.83Å; F178-L314 HydrophobicContact CD1-CG 4.49Å; F178-L314 HydrophobicContact CE1-CD2 4.39Å; D235-L314 HydrophobicContact CB-CD1 4.25Å; M310-L314 PolarHBondContact O-N 3.29Å; R311-L314 PolarHBondContact O-N 2.74Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 PolarHBondContact O-N 3.41Å; L314-D316 VanDerWaalsContact C-N 3.35Å; L314-D316 PolarHBondContact O-N 3.35Å; L314-K317 PolarHBondContact O-N 2.99Å; L314-N318 PolarHBondContact O-N 3Å
315V77Confident69.5Low71 Ų7187.9 Ų87.943%0.4344%0.438SS..Hα-helixtrans-59.1-46.8174.61740000110.7R311 Q312 K317 N318 N319R311-V315 WeakPolarHBondContact O-CG2 3.39Å; R311-V315 PolarHBondContact O-N 2.91Å; R311-V315 VanDerWaalsContact O-N 3.08Å; Q312-V315 PolarHBondContact O-N 2.83Å; V315-K317 VanDerWaalsContact C-N 3.34Å; V315-K317 PolarHBondContact O-N 2.98Å; V315-N318 PolarHBondContact O-N 3.1Å; V315-N319 WeakPolarHBondContact O-CB 3.35Å; V315-N319 VanDerWaalsContact O-CG 3.3Å; V315-N319 PolarHBondContact O-N 2.92Å
316D77.3Confident69.1Low71 Ų7191.6 Ų91.638%0.3846%0.457SS..Hα-helixtrans-63.7-38179.6-64.3-17.6000112.1Q312 L314 N320Q312-D316 PolarHBondContact NE2-OD1 3.21Å; Q312-D316 PolarHBondContact O-N 3.16Å; L314-D316 VanDerWaalsContact C-N 3.35Å; L314-D316 PolarHBondContact O-N 3.35Å; D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 VanDerWaalsContact O-CG 3.29Å; D316-N320 PolarHBondContact O-N 3.39Å; D316-N320 PolarHBondContact O-ND2 2.89Å
317K71.8Confident68.7Low88 Ų8892.4 Ų92.438%0.38346%0.46SS..Hα-helixtrans-66.4-45.9174.8-79.9178.5-177.9175.70111.5R313 L314 V315 N320 T321R313-K317 WeakPolarHBondContact O-CB 3.45Å; R313-K317 WeakPolarHBondContact O-CG 3.17Å; R313-K317 PolarHBondContact O-N 3.07Å; L314-K317 PolarHBondContact O-N 2.99Å; V315-K317 VanDerWaalsContact C-N 3.34Å; V315-K317 PolarHBondContact O-N 2.98Å; K317-N320 PolarHBondContact O-N 3.4Å; K317-T321 PolarHBondContact O-N 3.37Å; K317-T321 VanDerWaalsContact O-N 3.07Å; K317-T321 PolarHBondContact O-OG1 2.68Å
318N71.9Confident68.6Low72 Ų7296.4 Ų96.439%0.38548%0.478SS..Hα-helixtrans-62.8-45.3179.7-71.3-12000110.7L314 V315 N320 T321 E322L314-N318 PolarHBondContact O-N 3Å; V315-N318 PolarHBondContact O-N 3.1Å; N318-N320 VanDerWaalsContact C-N 3.34Å; N318-N320 PolarHBondContact O-N 3.03Å; N318-T321 PolarHBondContact O-N 3.25Å; N318-E322 PolarHBondContact O-N 3.3Å; N318-E322 VanDerWaalsContact O-N 3.14Å
319N72.8Confident68.3Low85 Ų8598.3 Ų98.346%0.45547%0.473SS..Hα-helixtrans-60.5-40.5175.8-71.9-13.8000112.6V315 T321 E322 V323V315-N319 WeakPolarHBondContact O-CB 3.35Å; V315-N319 VanDerWaalsContact O-CG 3.3Å; V315-N319 PolarHBondContact O-N 2.92Å; N319-T321 PolarHBondContact O-N 3.02Å; N319-E322 PolarHBondContact O-N 3.07Å; N319-V323 VanDerWaalsContact O-CG2 3.3Å; N319-V323 WeakPolarHBondContact O-CG2 3.3Å; N319-V323 PolarHBondContact O-N 3.29Å
320N64.7Low67.7Low117 Ų117100.5 Ų100.563%0.62648%0.483SS*.Hα-helixtrans-70.6-20.3177.1-77.7-38.1000113.7D316 K317 N318D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 VanDerWaalsContact O-CG 3.29Å; D316-N320 PolarHBondContact O-N 3.39Å; D316-N320 PolarHBondContact O-ND2 2.89Å; K317-N320 PolarHBondContact O-N 3.4Å; N318-N320 VanDerWaalsContact C-N 3.34Å; N318-N320 PolarHBondContact O-N 3.03Å
321T60.4Low67.2Low103 Ų103107.1 Ų107.163%0.63252%0.515SS*.Hα-helixtrans-85.4-26.4177.9-40.40000111.4K317 N318 N319K317-T321 PolarHBondContact O-N 3.37Å; K317-T321 VanDerWaalsContact O-N 3.07Å; K317-T321 PolarHBondContact O-OG1 2.68Å; N318-T321 PolarHBondContact O-N 3.25Å; N319-T321 PolarHBondContact O-N 3.02Å
322E53.8Low66.7Low164 Ų164107.5 Ų107.577%0.76653%0.525SS*.Hα-helixtrans-79.3-15.7172.9-69.3-171.3163.600113.9N318 N319N318-E322 PolarHBondContact O-N 3.3Å; N318-E322 VanDerWaalsContact O-N 3.14Å; N319-E322 PolarHBondContact O-N 3.07Å
323V51.7Low65.9Low127 Ų127107.7 Ų107.777%0.7753%0.528SS*.THydrogen-bonded Turntrans-95.64.5-179.2178.60000112.8N319N319-V323 VanDerWaalsContact O-CG2 3.3Å; N319-V323 WeakPolarHBondContact O-CG2 3.3Å; N319-V323 PolarHBondContact O-N 3.29Å
324R41.5Very low65.1Low290 Ų290109.2 Ų109.2100%1.09454%0.544SS*.  trans-114.90178-111.9-174.4-179.2-1701.4112.6

Retrieved 324 of 324 residues in 319.1 ms (Link to these results)

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