A0A077Z991_TRITR Loading...

Dynein heavy domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z991, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 635 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
1M36.3Very low58.3Low217 Ų21799.4 Ų99.4100%1.06959%0.594SS**  0-18.50-81.6-177.8172.600113.9S3 A4M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.47Å; M1-A4 PolarHBondContact O-N 2.73Å
2S40.7Very low60.9Low108 Ų108103.6 Ų103.676%0.75559%0.592SS**THydrogen-bonded Turntrans-66.8-23-178.357.50000115.6S5S2-S5 PolarHBondContact O-OG 3.45Å
3S38.2Very low63.2Low102 Ų10296.5 Ų96.571%0.71355%0.551SS**THydrogen-bonded Turntrans-77.4-22.3174.756.10000113.3M1 S5M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.47Å; S3-S5 VanDerWaalsContact C-N 3.34Å
4A44.1Very low65.1Low86 Ų8689.7 Ų89.771%0.71151%0.512SS*.THydrogen-bonded Turntrans-81-16.6178.900000112.7M1 S6M1-A4 PolarHBondContact O-N 2.73Å; A4-S6 VanDerWaalsContact C-N 3.29Å
5S42Very low66.6Low91 Ų9188.3 Ų88.364%0.63650%0.501SS*.THydrogen-bonded Turntrans-87.18.9175.157.50000113.4S2 S3 V7S2-S5 PolarHBondContact O-OG 3.45Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S5-V7 PolarHBondContact O-N 3.37Å
6S47.8Very low67.9Low88 Ų8891.9 Ų91.962%0.61551%0.513SS*.SBendtrans-62.4115.8170.970.60000107.9A4 M8A4-S6 VanDerWaalsContact C-N 3.29Å; S6-M8 PolarHBondContact O-N 3.34Å
7V61.6Low69.1Low129 Ų12991.8 Ų91.878%0.78251%0.507SS*.  trans-46.2119.8169178.60000107S5 D9S5-V7 PolarHBondContact O-N 3.37Å; V7-D9 PolarHBondContact O-N 3.3Å
8M71.2Confident70.3Confident67 Ų6787.1 Ų87.133%0.3348%0.481SS..  trans-56.9116.3-177.1-178.7-161.676.100109.5S6 L10 I13 I132 Y134S6-M8 PolarHBondContact O-N 3.34Å; M8-L10 PolarHBondContact O-N 2.97Å; M8-I13 HydrophobicContact CG-CD1 3.55Å; M8-I13 HydrophobicContact SD-CD1 3.84Å; M8-I132 HydrophobicContact CE-CD1 4.37Å; M8-I132 HydrophobicContact CE-CG2 3.53Å; M8-I132 HydrophobicContact SD-CB 4.43Å; M8-I132 HydrophobicContact SD-CD1 4.28Å; M8-I132 HydrophobicContact SD-CG1 4.36Å; M8-I132 HydrophobicContact SD-CG2 3.29Å; M8-I132 WeakPolarHBondContact SD-CG2 3.17Å; M8-Y134 HydrophobicContact CE-CE1 3.59Å; M8-Y134 HydrophobicContact CE-CE2 4.35Å; M8-Y134 VanDerWaalsContact CE-CZ 3.44Å; M8-Y134 WeakPolarHBondContact CE-OH 3.25Å
9D83.3Confident71.3Confident83 Ų8386.9 Ų86.944%0.44448%0.483SS..  trans-87.899.6179.4-177.91000109.9V7 R11 R12 I13V7-D9 PolarHBondContact O-N 3.3Å; D9-R11 PolarHBondContact O-N 2.73Å; D9-R11 WeakPolarHBondContact OD1-CA 3.26Å; D9-R11 WeakPolarHBondContact OD1-CB 3.45Å; D9-R11 PolarHBondContact OD1-N 3.24Å; D9-R12 HydrophobicContact CB-CB 3.95Å; D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 PolarHBondContact OD1-N 3.37Å; D9-R12 WeakPolarHBondContact OD2-CB 3.16Å; D9-I13 WeakPolarHBondContact O-CG1 3.4Å; D9-I13 PolarHBondContact O-N 3.38Å; D9-I13 VanDerWaalsContact O-N 3.16Å
10L87.3Confident72.3Confident14 Ų1483.9 Ų83.97%0.07347%0.468CS..Hα-helixtrans-59.3-33.7177.6-175.463.8000111.5M8 I13 V14 L24 R37 V38 L41 I132M8-L10 PolarHBondContact O-N 2.97Å; L10-I13 PolarHBondContact O-N 2.97Å; L10-V14 HydrophobicContact CD1-CG2 4.2Å; L10-V14 HydrophobicContact CG-CG2 4.29Å; L10-V14 WeakPolarHBondContact O-CB 3.43Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 2.82Å; L10-L24 HydrophobicContact CD1-CD2 4.46Å; L10-R37 HydrophobicContact CD2-CB 4.31Å; L10-V38 HydrophobicContact CD2-CG2 4.36Å; L10-L41 HydrophobicContact CB-CD2 4.35Å; L10-L41 HydrophobicContact CD2-CD2 3.89Å; L10-L41 HydrophobicContact CG-CD2 3.75Å; L10-I132 HydrophobicContact CD1-CD1 3.78Å
11R88.8Confident73.1Confident108 Ų10882.8 Ų82.841%0.40847%0.469SS..Hα-helixtrans-63.1-49.3178.5-176176.8176.2-179.7-4.8110.5D9 I13 V14 I15 L41 E44 M45D9-R11 PolarHBondContact O-N 2.73Å; D9-R11 WeakPolarHBondContact OD1-CA 3.26Å; D9-R11 WeakPolarHBondContact OD1-CB 3.45Å; D9-R11 PolarHBondContact OD1-N 3.24Å; R11-I13 VanDerWaalsContact C-N 3.33Å; R11-I13 PolarHBondContact O-N 2.72Å; R11-V14 PolarHBondContact O-N 3.39Å; R11-I15 HydrophobicContact CG-CD1 3.66Å; R11-I15 WeakPolarHBondContact O-CB 3.34Å; R11-I15 VanDerWaalsContact O-CG1 3.27Å; R11-I15 WeakPolarHBondContact O-CG1 3.46Å; R11-I15 PolarHBondContact O-N 2.87Å; R11-L41 HydrophobicContact CB-CD1 3.62Å; R11-L41 HydrophobicContact CG-CD1 3.9Å; R11-E44 IonicContact CZ-OE1 3.64Å; R11-E44 IonicContact NE-OE1 4Å; R11-E44 IonicContact NH1-OE1 2.75Å; R11-E44 PolarHBondContact NH1-OE1 2.81Å; R11-M45 HydrophobicContact CG-SD 4.03Å
12R89.9Confident75.9Confident150 Ų15074.7 Ų74.757%0.56643%0.432SS*.Hα-helixtrans-58.2-44.9177179.9-179172.4174.7-0.1111.9D9 I15 H16D9-R12 HydrophobicContact CB-CB 3.95Å; D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 PolarHBondContact OD1-N 3.37Å; D9-R12 WeakPolarHBondContact OD2-CB 3.16Å; R12-I15 PolarHBondContact O-N 2.85Å; R12-H16 WeakPolarHBondContact O-CB 3.33Å; R12-H16 PolarHBondContact O-N 3.32Å
13I89.6Confident78.4Confident11 Ų1169.7 Ų69.76%0.05640%0.397CS..Iπ-helixtrans-61.2-48.7179.7-65.1169.1000110.5M8 D9 L10 R11 I15 E17 V18 L24 R130 I132M8-I13 HydrophobicContact CG-CD1 3.55Å; M8-I13 HydrophobicContact SD-CD1 3.84Å; D9-I13 WeakPolarHBondContact O-CG1 3.4Å; D9-I13 PolarHBondContact O-N 3.38Å; D9-I13 VanDerWaalsContact O-N 3.16Å; L10-I13 PolarHBondContact O-N 2.97Å; R11-I13 VanDerWaalsContact C-N 3.33Å; R11-I13 PolarHBondContact O-N 2.72Å; I13-I15 VanDerWaalsContact C-N 3.33Å; I13-I15 PolarHBondContact O-N 3.19Å; I13-E17 HydrophobicContact CG2-CB 4.33Å; I13-E17 WeakPolarHBondContact O-CB 3.37Å; I13-E17 PolarHBondContact O-N 3.22Å; I13-V18 HydrophobicContact CG2-CG2 3.64Å; I13-V18 PolarHBondContact O-N 2.81Å; I13-L24 HydrophobicContact CG2-CD2 4.14Å; I13-R130 HydrophobicContact CG2-CG 4.49Å; I13-I132 HydrophobicContact CD1-CD1 4Å; I13-I132 HydrophobicContact CG2-CD1 4.29Å
14V90.6Very high81.2Confident2 Ų264.8 Ų64.81%0.01236%0.363CS..Iπ-helixtrans-64.9-35.5-177.4171.60000112.6L10 R11 L24 L41 W80 R110 F112L10-V14 HydrophobicContact CD1-CG2 4.2Å; L10-V14 HydrophobicContact CG-CG2 4.29Å; L10-V14 WeakPolarHBondContact O-CB 3.43Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 2.82Å; R11-V14 PolarHBondContact O-N 3.39Å; V14-L24 HydrophobicContact CG2-CD2 3.79Å; V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG2-CD2 4.07Å; V14-W80 HydrophobicContact CG1-CH2 3.73Å; V14-W80 HydrophobicContact CG1-CZ2 3.73Å; V14-R110 HydrophobicContact CG1-CG 3.98Å; V14-R110 PolarHBondContact O-NE 3.48Å; V14-R110 PolarHBondContact O-NH2 3Å; V14-F112 HydrophobicContact CG1-CZ 4.2Å; V14-F112 HydrophobicContact CG2-CE1 3.67Å; V14-F112 HydrophobicContact CG2-CZ 3.83Å
15I87.5Confident83.6Confident68 Ų6860.7 Ų60.735%0.34933%0.329SS..Iπ-helixtrans-82.8-46.8-178.1-63.9173.1000111.8R11 R12 I13 M45R11-I15 HydrophobicContact CG-CD1 3.66Å; R11-I15 WeakPolarHBondContact O-CB 3.34Å; R11-I15 VanDerWaalsContact O-CG1 3.27Å; R11-I15 WeakPolarHBondContact O-CG1 3.46Å; R11-I15 PolarHBondContact O-N 2.87Å; R12-I15 PolarHBondContact O-N 2.85Å; I13-I15 VanDerWaalsContact C-N 3.33Å; I13-I15 PolarHBondContact O-N 3.19Å; I15-M45 HydrophobicContact CD1-CE 3.64Å; I15-M45 HydrophobicContact CD1-SD 4.24Å; I15-M45 HydrophobicContact CG1-CE 3.66Å; I15-M45 HydrophobicContact CG1-SD 4.41Å
16H87.8Confident86.1Confident147 Ų14756.4 Ų56.468%0.68130%0.299SS*.Iπ-helixtrans-110.7-24-164.2-62.3-66.3000114.7R12R12-H16 WeakPolarHBondContact O-CB 3.33Å; R12-H16 PolarHBondContact O-N 3.32Å
17E88Confident88.1Confident89 Ų8952.4 Ų52.442%0.41627%0.271SS..Iπ-helixtrans-106.6-23.1-172.6-60.4-177.8-159.200113.4I13 R130I13-E17 HydrophobicContact CG2-CB 4.33Å; I13-E17 WeakPolarHBondContact O-CB 3.37Å; I13-E17 PolarHBondContact O-N 3.22Å; E17-R130 IonicContact OE2-CZ 3.81Å; E17-R130 IonicContact OE2-NE 3.98Å; E17-R130 IonicContact OE2-NH2 2.83Å; E17-R130 PolarHBondContact OE2-NH2 3.38Å
18V90.1Very high89.3Confident7 Ų746.6 Ų46.64%0.04224%0.236CC..  trans-118.2127.7-172.9-171.50000111.5I13 V22 L24 R110 R130I13-V18 HydrophobicContact CG2-CG2 3.64Å; I13-V18 PolarHBondContact O-N 2.81Å; V18-V22 HydrophobicContact CG1-CB 3.8Å; V18-V22 HydrophobicContact CG1-CG1 3.85Å; V18-V22 VanDerWaalsContact CG1-O 3.26Å; V18-V22 WeakPolarHBondContact CG1-O 3.24Å; V18-L24 HydrophobicContact CB-CD1 4.14Å; V18-L24 HydrophobicContact CB-CG 4.48Å; V18-L24 HydrophobicContact CG1-CD1 3.57Å; V18-L24 HydrophobicContact CG1-CG 4.07Å; V18-L24 HydrophobicContact CG2-CD1 4.38Å; V18-L24 HydrophobicContact CG2-CD2 4.16Å; V18-L24 HydrophobicContact CG2-CG 4.18Å; V18-R110 PolarHBondContact O-NH2 3.21Å; V18-R130 HydrophobicContact CG2-CB 3.99Å; V18-R130 HydrophobicContact CG2-CG 3.88Å
19T90.6Very high89.5Confident85 Ų8546 Ų4652%0.52124%0.237SC..  trans-83.4165.817667.50000111.2A21 V22T19-A21 PolarHBondContact O-N 3.37Å; T19-V22 PolarHBondContact O-N 3.42Å; T19-V22 WeakPolarHBondContact OG1-CG2 3.04Å
20S90.7Very high89Confident25 Ų2545.8 Ų45.818%0.17524%0.239CC..THydrogen-bonded Turntrans-64.6-18.9178.8550000114.3P105 H106 F109S20-P105 WeakPolarHBondContact O-CG 3.46Å; S20-H106 WeakPolarHBondContact CB-O 3.46Å; S20-F109 WeakPolarHBondContact CA-O 3.48Å; S20-F109 WeakPolarHBondContact CB-O 3.35Å; S20-F109 WeakPolarHBondContact O-CD1 3.44Å
21A89.9Confident88Confident61 Ų6148.7 Ų48.750%0.50427%0.273SS..THydrogen-bonded Turntrans-86.1-18.2178.200000113.7T19 P23 P105T19-A21 PolarHBondContact O-N 3.37Å; A21-P23 WeakPolarHBondContact O-CD 3.39Å; A21-P105 HydrophobicContact CB-CG 4.2Å
22V93.1Very high87.4Confident47 Ų4746.6 Ų46.629%0.28527%0.265SS..SBendtrans-96.9113.8-175.7174.20000109.1V18 T19 R130V18-V22 HydrophobicContact CG1-CB 3.8Å; V18-V22 HydrophobicContact CG1-CG1 3.85Å; V18-V22 VanDerWaalsContact CG1-O 3.26Å; V18-V22 WeakPolarHBondContact CG1-O 3.24Å; T19-V22 PolarHBondContact O-N 3.42Å; T19-V22 WeakPolarHBondContact OG1-CG2 3.04Å; V22-R130 HydrophobicContact CG1-CB 4.1Å
23P94.9Very high86.8Confident3 Ų343.7 Ų43.72%0.01926%0.261CS..  trans-69145.7174.829-34.7000111.1A21 L100 L111 L113 L125 G129 R130A21-P23 WeakPolarHBondContact O-CD 3.39Å; P23-L100 HydrophobicContact CB-CD1 4.33Å; P23-L100 HydrophobicContact CG-CD1 3.94Å; P23-L111 HydrophobicContact CB-CB 4.44Å; P23-L111 HydrophobicContact CB-CD2 4.23Å; P23-L111 HydrophobicContact CB-CG 4.44Å; P23-L113 HydrophobicContact CB-CD1 3.66Å; P23-L125 HydrophobicContact CG-CD1 4.48Å; P23-G129 CarbonylContact O-C 3.47Å; P23-G129 WeakPolarHBondContact O-CA 3.22Å; P23-R130 PolarHBondContact O-N 3.41Å
24L95.8Very high86.5Confident0 Ų043.2 Ų43.20%026%0.259CS..EExtended strand (participates in β ladder)trans-94.9119.9171.3-70.292.6000109.9L10 I13 V14 V18 L26 L111 F112 L113 I132L10-L24 HydrophobicContact CD1-CD2 4.46Å; I13-L24 HydrophobicContact CG2-CD2 4.14Å; V14-L24 HydrophobicContact CG2-CD2 3.79Å; V18-L24 HydrophobicContact CB-CD1 4.14Å; V18-L24 HydrophobicContact CB-CG 4.48Å; V18-L24 HydrophobicContact CG1-CD1 3.57Å; V18-L24 HydrophobicContact CG1-CG 4.07Å; V18-L24 HydrophobicContact CG2-CD1 4.38Å; V18-L24 HydrophobicContact CG2-CD2 4.16Å; V18-L24 HydrophobicContact CG2-CG 4.18Å; L24-L26 HydrophobicContact CB-CD1 4.49Å; L24-L111 PolarHBondContact N-O 3.12Å; L24-F112 HydrophobicContact CB-CD1 3.88Å; L24-F112 HydrophobicContact CB-CE1 4.31Å; L24-F112 HydrophobicContact CD1-CD1 4.33Å; L24-F112 HydrophobicContact CD1-CE1 4.09Å; L24-F112 HydrophobicContact CD2-CD1 4.36Å; L24-F112 HydrophobicContact CD2-CE1 4Å; L24-F112 HydrophobicContact CG-CD1 4.43Å; L24-F112 HydrophobicContact CG-CE1 4.37Å; L24-F112 CarbonylContact O-C 3.35Å; L24-F112 WeakPolarHBondContact O-CA 3.49Å; L24-L113 PolarHBondContact O-N 2.85Å; L24-I132 HydrophobicContact CD2-CD1 4.25Å
25L94.8Very high86.4Confident0 Ų043.3 Ų43.30%026%0.259CS..EExtended strand (participates in β ladder)trans-99.8108.5175.9-58.1101.1000109.1C27 L113 M115 L125 L126 G129 R130 I131 I132L25-C27 PolarHBondContact O-N 2.89Å; L25-L113 CarbonylContact C-O 3.44Å; L25-M115 HydrophobicContact CB-CE 3.85Å; L25-M115 HydrophobicContact CB-SD 4.49Å; L25-M115 HydrophobicContact CD2-CE 3.26Å; L25-M115 HydrophobicContact CD2-SD 3.76Å; L25-M115 HydrophobicContact CG-CE 3.85Å; L25-L125 HydrophobicContact CD2-CG 4.25Å; L25-L126 HydrophobicContact CD2-CD2 3.84Å; L25-G129 VanDerWaalsContact CD1-CA 3.45Å; L25-R130 PolarHBondContact N-O 2.99Å; L25-I131 HydrophobicContact CB-CG1 4.26Å; L25-I131 HydrophobicContact CD1-CG1 4.03Å; L25-I132 PolarHBondContact O-N 3.49Å
26L94Very high86.3Confident0 Ų041.5 Ų41.50%026%0.257CS..EExtended strand (participates in β ladder)trans-88.190.8172.8-6386.1000107.9L24 A34 V38 F112 L113 T114 M115 Y134L24-L26 HydrophobicContact CB-CD1 4.49Å; L26-A34 HydrophobicContact CB-CB 4.09Å; L26-A34 HydrophobicContact CD2-CB 3.79Å; L26-V38 HydrophobicContact CD1-CG2 4.16Å; L26-V38 HydrophobicContact CD2-CG2 3.45Å; L26-V38 VanDerWaalsContact CD2-CG2 3.45Å; L26-F112 HydrophobicContact CD1-CB 4.06Å; L26-F112 HydrophobicContact CD1-CD1 3.99Å; L26-L113 PolarHBondContact N-O 2.81Å; L26-T114 HydrophobicContact CB-CG2 4.4Å; L26-T114 WeakPolarHBondContact O-CA 3.49Å; L26-M115 PolarHBondContact O-N 2.66Å; L26-Y134 HydrophobicContact CB-CD2 4.29Å; L26-Y134 HydrophobicContact CB-CE2 3.98Å; L26-Y134 HydrophobicContact CD2-CE2 3.66Å; L26-Y134 HydrophobicContact CG-CE2 3.89Å
27C91.7Very high86.2Confident4 Ų439.8 Ų39.83%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-84.3132.9177-66.80000109.6L25 M115 I117 I131 I132 V133 Y134L25-C27 PolarHBondContact O-N 2.89Å; C27-M115 CarbonylContact C-O 3.57Å; C27-M115 VanDerWaalsContact CA-O 3.24Å; C27-M115 WeakPolarHBondContact CA-O 3.44Å; C27-I117 HydrophobicContact CB-CG1 4.03Å; C27-I131 HydrophobicContact CB-CG2 4.3Å; C27-I132 PolarHBondContact N-O 3.34Å; C27-V133 HydrophobicContact CB-CG2 4.38Å; C27-V133 CarbonylContact O-C 3.6Å; C27-V133 WeakPolarHBondContact O-CA 3.48Å; C27-Y134 PolarHBondContact O-N 3.03Å
28S86Confident86.4Confident8 Ų835.5 Ų35.56%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-132.6163.3176.356.20000112.1Y32 M115 E116S28-Y32 VanDerWaalsContact CB-O 3.29Å; S28-Y32 WeakPolarHBondContact CB-O 3Å; S28-Y32 PolarHBondContact OG-O 3.35Å; S28-M115 PolarHBondContact N-O 2.69Å; S28-E116 WeakPolarHBondContact O-CA 2.93Å
29V75.8Confident86.4Confident55 Ų5537 Ų3733%0.33323%0.232SC..  trans-65.2152.5162.1-65.40000109.8G31 Y32 P136V29-G31 PolarHBondContact O-N 3.17Å; V29-Y32 PolarHBondContact O-N 3.15Å; V29-P136 HydrophobicContact CG2-CG 4.29Å
30P71.8Confident86.4Confident77 Ų7737.8 Ų37.850%0.523%0.234SC..THydrogen-bonded Turntrans-50.7136.4175.4-2734.4000112.6E116P30-E116 WeakPolarHBondContact CA-OE1 3.41Å
31G67.6Low86.5Confident75 Ų7537 Ų3777%0.77323%0.228SC*.THydrogen-bonded Turntrans85.3-8.8-179.400000116.4V29V29-G31 PolarHBondContact O-N 3.17Å
32Y74.3Confident86.6Confident65 Ų6534.2 Ų34.226%0.25520%0.204SC..  trans-97.1117.9172.8-175.3-93.4000111.3S28 V29 A34 R37 Y134S28-Y32 VanDerWaalsContact CB-O 3.29Å; S28-Y32 WeakPolarHBondContact CB-O 3Å; S28-Y32 PolarHBondContact OG-O 3.35Å; V29-Y32 PolarHBondContact O-N 3.15Å; Y32-A34 HydrophobicContact CD1-CB 4.41Å; Y32-A34 HydrophobicContact CE1-CB 3.99Å; Y32-R37 PolarHBondContact OH-NE 3.39Å; Y32-Y134 HydrophobicContact CE1-CD1 4.16Å; Y32-Y134 AromaticContact CE1-CG 3.96Å; Y32-Y134 HydrophobicContact CE1-CG 3.96Å
33D77.5Confident86.5Confident89 Ų8938.2 Ų38.248%0.47622%0.223SC..  trans-101.1105.1176.5-175.915.2000111.8S35D33-S35 PolarHBondContact O-N 3.45Å; D33-S35 WeakPolarHBondContact OD1-CA 3.48Å; D33-S35 WeakPolarHBondContact OD1-CB 3.36Å; D33-S35 PolarHBondContact OD1-N 3.41Å; D33-S35 PolarHBondContact OD1-OG 3.39Å; D33-S35 PolarHBondContact OD2-OG 2.91Å
34A84.1Confident86.3Confident1 Ų144 Ų441%0.00825%0.25CC..THydrogen-bonded Turntrans-77.1-2.2175.500000113.7L26 Y32 G36 R37 Y134L26-A34 HydrophobicContact CB-CB 4.09Å; L26-A34 HydrophobicContact CD2-CB 3.79Å; Y32-A34 HydrophobicContact CD1-CB 4.41Å; Y32-A34 HydrophobicContact CE1-CB 3.99Å; A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 3.48Å; A34-R37 PolarHBondContact O-N 3.37Å; A34-Y134 HydrophobicContact CB-CD2 3.8Å; A34-Y134 HydrophobicContact CB-CE2 3.96Å; A34-Y134 HydrophobicContact CB-CG 4.21Å
35S87.6Confident86.1Confident3 Ų345.8 Ų45.82%0.02126%0.258CS..Hα-helixtrans-61.8-32.4-175.682.10000113.1D33 R37 V38 N39 K84D33-S35 PolarHBondContact O-N 3.45Å; D33-S35 WeakPolarHBondContact OD1-CA 3.48Å; D33-S35 WeakPolarHBondContact OD1-CB 3.36Å; D33-S35 PolarHBondContact OD1-N 3.41Å; D33-S35 PolarHBondContact OD1-OG 3.39Å; D33-S35 PolarHBondContact OD2-OG 2.91Å; S35-R37 PolarHBondContact O-N 3.16Å; S35-V38 PolarHBondContact O-N 2.83Å; S35-N39 PolarHBondContact O-N 2.81Å; S35-N39 PolarHBondContact O-ND2 3.42Å; S35-K84 WeakPolarHBondContact OG-CE 3.39Å; S35-K84 PolarHBondContact OG-NZ 3.29Å
36G86Confident85.9Confident30 Ų3053 Ų5331%0.30930%0.297SS..Hα-helixtrans-55.2-47.917600000112.3A34 V38 N39 D40A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 3.48Å; G36-V38 PolarHBondContact O-N 2.99Å; G36-N39 PolarHBondContact O-N 3.06Å; G36-D40 VanDerWaalsContact O-CG 3.23Å; G36-D40 PolarHBondContact O-N 2.85Å
37R86Confident85.7Confident111 Ų11156.7 Ų56.742%0.41931%0.313SS..Hα-helixtrans-59.2-33.7-179.4-64.8-177174.3-124.50.9113.3L10 Y32 A34 S35 L41L10-R37 HydrophobicContact CD2-CB 4.31Å; Y32-R37 PolarHBondContact OH-NE 3.39Å; A34-R37 PolarHBondContact O-N 3.37Å; S35-R37 PolarHBondContact O-N 3.16Å; R37-L41 VanDerWaalsContact O-CB 3.28Å; R37-L41 WeakPolarHBondContact O-CB 3.4Å; R37-L41 PolarHBondContact O-N 3.49Å; R37-L41 VanDerWaalsContact O-N 3.09Å
38V91.9Very high85.7Confident0 Ų058 Ų580%033%0.328CS..Hα-helixtrans-73.8-39.9177.9-173.60000110.7L10 L26 S35 G36 A42 I49 L82 F112L10-V38 HydrophobicContact CD2-CG2 4.36Å; L26-V38 HydrophobicContact CD1-CG2 4.16Å; L26-V38 HydrophobicContact CD2-CG2 3.45Å; L26-V38 VanDerWaalsContact CD2-CG2 3.45Å; S35-V38 PolarHBondContact O-N 2.83Å; G36-V38 PolarHBondContact O-N 2.99Å; V38-A42 WeakPolarHBondContact O-CB 3.09Å; V38-A42 PolarHBondContact O-N 3.03Å; V38-I49 HydrophobicContact CG1-CD1 3.59Å; V38-L82 HydrophobicContact CB-CD1 4.31Å; V38-L82 HydrophobicContact CB-CD2 4.13Å; V38-L82 HydrophobicContact CG1-CD1 4.28Å; V38-L82 HydrophobicContact CG1-CD2 4.3Å; V38-L82 HydrophobicContact CG2-CD1 4.27Å; V38-F112 HydrophobicContact CG1-CB 4.13Å; V38-F112 HydrophobicContact CG1-CD1 3.86Å; V38-F112 HydrophobicContact CG1-CD2 3.66Å; V38-F112 HydrophobicContact CG1-CE1 4.1Å; V38-F112 HydrophobicContact CG1-CE2 3.93Å; V38-F112 HydrophobicContact CG1-CG 3.61Å; V38-F112 HydrophobicContact CG1-CZ 4.14Å; V38-F112 HydrophobicContact CG2-CD1 4.15Å; V38-F112 HydrophobicContact CG2-CG 4.41Å
39N91.3Very high86.1Confident37 Ų3759.3 Ų59.320%0.19833%0.333CS..Hα-helixtrans-66.5-44.2176.3-62.9-52.9000111.1S35 G36 L41 A42 I43S35-N39 PolarHBondContact O-N 2.81Å; S35-N39 PolarHBondContact O-ND2 3.42Å; G36-N39 PolarHBondContact O-N 3.06Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 3.08Å; N39-A42 WeakPolarHBondContact O-CB 3.48Å; N39-A42 PolarHBondContact O-N 2.95Å; N39-I43 WeakPolarHBondContact O-CG1 3.2Å; N39-I43 PolarHBondContact O-N 3.48Å
40D89.3Confident87Confident103 Ų10358.7 Ų58.755%0.55133%0.33SS*.Hα-helixtrans-60.4-44.3177.7-61.1-24.3000110.8G36 A42 I43 E44G36-D40 VanDerWaalsContact O-CG 3.23Å; G36-D40 PolarHBondContact O-N 2.85Å; D40-A42 PolarHBondContact O-N 2.84Å; D40-I43 PolarHBondContact O-N 3.22Å; D40-E44 WeakPolarHBondContact O-CB 3.44Å; D40-E44 PolarHBondContact O-N 3.19Å
41L92.2Very high88Confident9 Ų958.4 Ų58.45%0.04733%0.328CS..Hα-helixtrans-63.2-40175.7-179.463.2000112.5L10 R11 V14 R37 N39 I43 E44 M45 W80L10-L41 HydrophobicContact CB-CD2 4.35Å; L10-L41 HydrophobicContact CD2-CD2 3.89Å; L10-L41 HydrophobicContact CG-CD2 3.75Å; R11-L41 HydrophobicContact CB-CD1 3.62Å; R11-L41 HydrophobicContact CG-CD1 3.9Å; V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG2-CD2 4.07Å; R37-L41 VanDerWaalsContact O-CB 3.28Å; R37-L41 WeakPolarHBondContact O-CB 3.4Å; R37-L41 PolarHBondContact O-N 3.49Å; R37-L41 VanDerWaalsContact O-N 3.09Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 3.08Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 2.84Å; L41-E44 PolarHBondContact O-N 2.88Å; L41-M45 HydrophobicContact CD1-CG 3.92Å; L41-M45 HydrophobicContact CD1-SD 3.61Å; L41-M45 HydrophobicContact CD2-SD 4.47Å; L41-M45 HydrophobicContact CG-CG 4.44Å; L41-M45 HydrophobicContact CG-SD 3.93Å; L41-M45 WeakPolarHBondContact O-CB 3.22Å; L41-M45 WeakPolarHBondContact O-CG 2.97Å; L41-M45 PolarHBondContact O-N 3.05Å; L41-W80 HydrophobicContact CD2-CH2 4.39Å; L41-W80 HydrophobicContact CD2-CZ3 4.31Å; L41-W80 HydrophobicContact CG-CH2 4.37Å; L41-W80 HydrophobicContact CG-CZ3 4.21Å
42A93.1Very high89.1Confident2 Ų255.8 Ų55.82%0.01730%0.296CS..Hα-helixtrans-64-38.6177.300000111.4V38 N39 D40 D46 K47 I49 W80V38-A42 WeakPolarHBondContact O-CB 3.09Å; V38-A42 PolarHBondContact O-N 3.03Å; N39-A42 WeakPolarHBondContact O-CB 3.48Å; N39-A42 PolarHBondContact O-N 2.95Å; D40-A42 PolarHBondContact O-N 2.84Å; A42-D46 PolarHBondContact O-N 2.89Å; A42-D46 VanDerWaalsContact O-N 3.16Å; A42-K47 PolarHBondContact O-N 3.17Å; A42-I49 HydrophobicContact CB-CB 3.85Å; A42-I49 HydrophobicContact CB-CD1 4.06Å; A42-I49 HydrophobicContact CB-CG2 3.69Å; A42-W80 HydrophobicContact CB-CE3 4Å; A42-W80 HydrophobicContact CB-CZ3 4.18Å
43I91.6Very high89.7Confident131 Ų13154.7 Ų54.767%0.67230%0.3SS*.Hα-helixtrans-66.8-47.5174.2-65.6164.7000110.6N39 D40 L41 M45 D46N39-I43 WeakPolarHBondContact O-CG1 3.2Å; N39-I43 PolarHBondContact O-N 3.48Å; D40-I43 PolarHBondContact O-N 3.22Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 2.84Å; I43-M45 VanDerWaalsContact C-N 3.26Å; I43-M45 PolarHBondContact O-N 2.83Å; I43-D46 PolarHBondContact O-N 3.34Å
44E90.6Very high89.8Confident124 Ų12450.4 Ų50.458%0.57928%0.277SS*.Hα-helixtrans-59.7-36.6179.3-170.2-166.9146.700112.3R11 D40 L41R11-E44 IonicContact CZ-OE1 3.64Å; R11-E44 IonicContact NE-OE1 4Å; R11-E44 IonicContact NH1-OE1 2.75Å; R11-E44 PolarHBondContact NH1-OE1 2.81Å; D40-E44 WeakPolarHBondContact O-CB 3.44Å; D40-E44 PolarHBondContact O-N 3.19Å; L41-E44 PolarHBondContact O-N 2.88Å
45M90.9Very high89.2Confident38 Ų3852.2 Ų52.219%0.18730%0.296CS..THydrogen-bonded Turntrans-935.1-178.8-66-174.461.500114.2R11 I15 L41 I43 K47 W80R11-M45 HydrophobicContact CG-SD 4.03Å; I15-M45 HydrophobicContact CD1-CE 3.64Å; I15-M45 HydrophobicContact CD1-SD 4.24Å; I15-M45 HydrophobicContact CG1-CE 3.66Å; I15-M45 HydrophobicContact CG1-SD 4.41Å; L41-M45 HydrophobicContact CD1-CG 3.92Å; L41-M45 HydrophobicContact CD1-SD 3.61Å; L41-M45 HydrophobicContact CD2-SD 4.47Å; L41-M45 HydrophobicContact CG-CG 4.44Å; L41-M45 HydrophobicContact CG-SD 3.93Å; L41-M45 WeakPolarHBondContact O-CB 3.22Å; L41-M45 WeakPolarHBondContact O-CG 2.97Å; L41-M45 PolarHBondContact O-N 3.05Å; I43-M45 VanDerWaalsContact C-N 3.26Å; I43-M45 PolarHBondContact O-N 2.83Å; M45-K47 VanDerWaalsContact C-N 3.27Å; M45-K47 HydrophobicContact CB-CG 3.83Å; M45-K47 PolarHBondContact O-N 3.2Å; M45-W80 HydrophobicContact CE-CH2 4.17Å; M45-W80 HydrophobicContact CE-CZ2 4.28Å; M45-W80 HydrophobicContact SD-CH2 3.72Å; M45-W80 HydrophobicContact SD-CZ2 4.42Å
46D91Very high88Confident151 Ų15160.1 Ų60.181%0.80733%0.33SS*.THydrogen-bonded Turntrans49.147.9-175-167.136.5000112.4A42 I43A42-D46 PolarHBondContact O-N 2.89Å; A42-D46 VanDerWaalsContact O-N 3.16Å; I43-D46 PolarHBondContact O-N 3.34Å
47K90.3Very high87Confident78 Ų7859.9 Ų59.934%0.33932%0.321SS..  trans-107.4127.1179.3-61.6-56.7-179.9-166.90110.6A42 M45 I49 W80A42-K47 PolarHBondContact O-N 3.17Å; M45-K47 VanDerWaalsContact C-N 3.27Å; M45-K47 HydrophobicContact CB-CG 3.83Å; M45-K47 PolarHBondContact O-N 3.2Å; K47-I49 PolarHBondContact O-N 2.99Å; K47-W80 HydrophobicContact CB-CD2 3.96Å; K47-W80 HydrophobicContact CB-CE3 4.15Å; K47-W80 HydrophobicContact CB-CG 4.45Å; K47-W80 HydrophobicContact CB-CH2 4.47Å; K47-W80 HydrophobicContact CB-CZ2 4.3Å; K47-W80 HydrophobicContact CB-CZ3 4.4Å; K47-W80 HydrophobicContact CG-CD2 4.31Å; K47-W80 HydrophobicContact CG-CH2 4.08Å; K47-W80 HydrophobicContact CG-CZ2 3.75Å; K47-W80 HydrophobicContact CG-CZ3 4.48Å
48G91.7Very high85.9Confident32 Ų3259.1 Ų59.133%0.3333%0.325SS..  trans-65.2116.5170.300000111W80G48-W80 PolarHBondContact O-N 2.81Å
49I94.1Very high84.7Confident35 Ų3564.4 Ų64.418%0.17936%0.362CS..EExtended strand (participates in β ladder)trans-115.2139.4177.5-168.4166.9000111.2V38 A42 K47 W80 L82V38-I49 HydrophobicContact CG1-CD1 3.59Å; A42-I49 HydrophobicContact CB-CB 3.85Å; A42-I49 HydrophobicContact CB-CD1 4.06Å; A42-I49 HydrophobicContact CB-CG2 3.69Å; K47-I49 PolarHBondContact O-N 2.99Å; I49-W80 CarbonylContact C-O 3.5Å; I49-W80 WeakPolarHBondContact CA-O 3.45Å; I49-W80 HydrophobicContact CB-CB 4.14Å; I49-W80 HydrophobicContact CD1-CB 4.4Å; I49-W80 HydrophobicContact CG1-CB 3.96Å; I49-L82 HydrophobicContact CD1-CB 3.92Å; I49-L82 HydrophobicContact CD1-CD2 4.29Å; I49-L82 HydrophobicContact CG1-CB 4.21Å
50T94.1Very high83.7Confident42 Ų4264.6 Ų64.626%0.25837%0.366SS..EExtended strand (participates in β ladder)trans-114.3103.8174.3-57.60000109.9I52 T70 W80 L82T50-I52 HydrophobicContact CG2-CG1 4.46Å; T50-T70 HydrophobicContact CG2-CG2 3.71Å; T50-W80 PolarHBondContact N-O 3.11Å; T50-L82 PolarHBondContact O-N 3.36Å
51P92.2Very high82.9Confident70 Ų7065.5 Ų65.546%0.45538%0.376SS..EExtended strand (participates in β ladder)trans-81131.4176.231.4-32.7000111.7L82P51-L82 CarbonylContact C-O 3.56Å; P51-L82 WeakPolarHBondContact CA-O 3.37Å; P51-L82 HydrophobicContact CB-CB 4.49Å; P51-L82 HydrophobicContact CB-CD2 4.44Å
52I90.6Very high82.1Confident21 Ų2172.9 Ų72.911%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-126.1123.5178.1-63163.8000108.3T50 M54 L57 A67 T70 V81 L82 L83 K84T50-I52 HydrophobicContact CG2-CG1 4.46Å; I52-M54 HydrophobicContact CG2-SD 4.39Å; I52-L57 HydrophobicContact CG2-CD1 3.74Å; I52-A67 HydrophobicContact CD1-CB 4.2Å; I52-A67 HydrophobicContact CG2-CB 4.26Å; I52-T70 HydrophobicContact CD1-CG2 3.83Å; I52-V81 HydrophobicContact CD1-CG1 4.14Å; I52-L82 PolarHBondContact N-O 2.95Å; I52-L83 HydrophobicContact CB-CD2 3.93Å; I52-L83 HydrophobicContact CD1-CD2 3.91Å; I52-L83 HydrophobicContact CG1-CD2 4.5Å; I52-L83 HydrophobicContact CG2-CD2 4.26Å; I52-L83 CarbonylContact O-C 3.59Å; I52-L83 WeakPolarHBondContact O-CA 3.18Å; I52-K84 PolarHBondContact O-N 2.81Å
53A86.6Confident81.5Confident41 Ų4173.1 Ų73.134%0.33941%0.412SS..EExtended strand (participates in β ladder)trans-95.7114177.700000111.4G55 K56A53-G55 VanDerWaalsContact C-N 3.29Å; A53-G55 PolarHBondContact O-N 3.47Å; A53-K56 PolarHBondContact O-N 3.1Å
54M80.6Confident81.1Confident0 Ų068.8 Ų68.80%039%0.388CS..G310 helixtrans-66.1-29.8-175-62.5-54.6-60.400113.5I52 K56 L57 L58 F64 L83 K84 V86 A89 W92I52-M54 HydrophobicContact CG2-SD 4.39Å; M54-K56 PolarHBondContact O-N 3.46Å; M54-L57 HydrophobicContact CE-CD1 3.88Å; M54-L57 PolarHBondContact O-N 3.21Å; M54-L57 HydrophobicContact SD-CD1 3.71Å; M54-L58 PolarHBondContact O-N 3.14Å; M54-F64 HydrophobicContact CE-CD1 3.71Å; M54-F64 HydrophobicContact CE-CE1 3.45Å; M54-F64 VanDerWaalsContact CE-CE1 3.45Å; M54-L83 HydrophobicContact SD-CD2 4.37Å; M54-K84 WeakPolarHBondContact CB-O 3.37Å; M54-K84 WeakPolarHBondContact CG-O 3.25Å; M54-K84 PolarHBondContact N-O 3.49Å; M54-V86 HydrophobicContact CG-CB 4.29Å; M54-V86 HydrophobicContact CG-CG1 3.79Å; M54-A89 HydrophobicContact CE-CB 4.17Å; M54-W92 HydrophobicContact CE-CD2 3.78Å; M54-W92 HydrophobicContact CE-CE3 3.29Å; M54-W92 HydrophobicContact CE-CH2 4.01Å; M54-W92 HydrophobicContact CE-CZ2 4.45Å; M54-W92 HydrophobicContact CE-CZ3 3.42Å; M54-W92 VanDerWaalsContact CE-CZ3 3.42Å; M54-W92 HydrophobicContact SD-CE3 4.29Å; M54-W92 HydrophobicContact SD-CH2 4.17Å; M54-W92 HydrophobicContact SD-CZ3 3.8Å
55G71.1Confident80.9Confident38 Ų3866.3 Ų66.339%0.39238%0.382SS..G310 helixtrans-59.3-28.8178.400000113.9A53A53-G55 VanDerWaalsContact C-N 3.29Å; A53-G55 PolarHBondContact O-N 3.47Å
56K63.8Low80.7Confident170 Ų17067.3 Ų67.374%0.73939%0.393SS*.G310 helixtrans-78-21.7175.2-68.9-173.6178.3-176.50113.2A53 M54 S59A53-K56 PolarHBondContact O-N 3.1Å; M54-K56 PolarHBondContact O-N 3.46Å; K56-S59 PolarHBondContact O-OG 3Å
57L64.4Low80.6Confident24 Ų2460.2 Ų60.213%0.12636%0.355CS..THydrogen-bonded Turntrans-87-17.6-174.6-50.8176.4000112.4I52 M54 S59 S60 G63 F64 A67I52-L57 HydrophobicContact CG2-CD1 3.74Å; M54-L57 HydrophobicContact CE-CD1 3.88Å; M54-L57 PolarHBondContact O-N 3.21Å; M54-L57 HydrophobicContact SD-CD1 3.71Å; L57-S59 PolarHBondContact O-N 3.36Å; L57-S59 VanDerWaalsContact O-N 3.1Å; L57-S60 CarbonylContact O-C 3.38Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-G63 WeakPolarHBondContact CD1-O 3.43Å; L57-F64 HydrophobicContact CB-CE1 4.41Å; L57-A67 HydrophobicContact CD1-CB 4.15Å
58L62.5Low80.6Confident95 Ų9559.2 Ų59.250%0.49735%0.351SS..THydrogen-bonded Turntrans-59.5-24.3179.2-72.8171.2000113.6M54 F64 L88 A89M54-L58 PolarHBondContact O-N 3.14Å; L58-F64 HydrophobicContact CD2-CZ 4.1Å; L58-L88 HydrophobicContact CD1-CB 4.05Å; L58-A89 HydrophobicContact CD2-CB 4.11Å
59S66Low80.5Confident112 Ų11263.5 Ų63.578%0.78336%0.363SS*.THydrogen-bonded Turntrans-88.7-3.9176.256.40000114.3K56 L57K56-S59 PolarHBondContact O-OG 3Å; L57-S59 PolarHBondContact O-N 3.36Å; L57-S59 VanDerWaalsContact O-N 3.1Å
60S71.6Confident80.4Confident40 Ų4063.1 Ų63.128%0.2836%0.362SS..  trans-144.4120.7-174.356.30000112.6L57 E62 G63L57-S60 CarbonylContact O-C 3.38Å; L57-S60 PolarHBondContact O-N 3.39Å; S60-E62 PolarHBondContact O-N 3.48Å; S60-G63 PolarHBondContact O-N 3.47Å
61T71Confident80.4Confident123 Ų12361.2 Ų61.276%0.75535%0.35SS*.Hα-helixtrans-59.8-31.1170.7-4.40000111.9G63 F64 T65T61-G63 PolarHBondContact O-N 2.9Å; T61-F64 PolarHBondContact O-N 2.94Å; T61-T65 PolarHBondContact O-N 3.21Å; T61-T65 PolarHBondContact O-OG1 2.79Å
62E76.5Confident80.5Confident164 Ų16459.4 Ų59.477%0.76634%0.339SS*.Hα-helixtrans-59.1-34.9173-62.8180176.300112S60 T65 S66S60-E62 PolarHBondContact O-N 3.48Å; E62-T65 PolarHBondContact O-N 3.06Å; E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 2.93Å
63G80.4Confident80.6Confident6 Ų661.5 Ų61.56%0.06236%0.356CS..Hα-helixtrans-63.4-45-179.600000113.4L57 S60 T61 S66 A67L57-G63 WeakPolarHBondContact CD1-O 3.43Å; S60-G63 PolarHBondContact O-N 3.47Å; T61-G63 PolarHBondContact O-N 2.9Å; G63-S66 PolarHBondContact O-N 3.04Å; G63-A67 PolarHBondContact O-N 3.37Å
64F84.1Confident81Confident40 Ų4059.8 Ų59.818%0.17534%0.341CS..Hα-helixtrans-65.5-42.4176.9-67.8-65.9000112M54 L57 L58 T61 S66 A67 E68 A89 W92M54-F64 HydrophobicContact CE-CD1 3.71Å; M54-F64 HydrophobicContact CE-CE1 3.45Å; M54-F64 VanDerWaalsContact CE-CE1 3.45Å; L57-F64 HydrophobicContact CB-CE1 4.41Å; L58-F64 HydrophobicContact CD2-CZ 4.1Å; T61-F64 PolarHBondContact O-N 2.94Å; F64-S66 PolarHBondContact O-N 3.08Å; F64-A67 WeakPolarHBondContact O-CB 3.37Å; F64-A67 PolarHBondContact O-N 3.15Å; F64-E68 PolarHBondContact O-N 3.02Å; F64-A89 HydrophobicContact CE1-CB 3.85Å; F64-A89 HydrophobicContact CZ-CB 4.12Å; F64-W92 HydrophobicContact CD1-CB 3.84Å; F64-W92 AromaticContact CD1-CD1 3.36Å; F64-W92 AromaticContact CD1-CD2 3.7Å; F64-W92 HydrophobicContact CD1-CD2 3.7Å; F64-W92 AromaticContact CD1-CE2 3.92Å; F64-W92 AromaticContact CD1-CG 3.31Å; F64-W92 HydrophobicContact CD1-CG 3.31Å; F64-W92 AromaticContact CD1-NE1 3.73Å; F64-W92 HydrophobicContact CE1-CB 3.66Å; F64-W92 HydrophobicContact CE1-CD2 4.11Å; F64-W92 AromaticContact CE1-CG 3.65Å; F64-W92 HydrophobicContact CE1-CG 3.65Å; F64-W92 AromaticContact CG-CD1 3.8Å; F64-W92 HydrophobicContact CG-CG 4.18Å; F64-W92 HydrophobicContact CZ-CB 4.43Å
65T85.7Confident81.7Confident72 Ų7259.9 Ų59.944%0.44234%0.342SS..Hα-helixtrans-61.4-45.7177.3-50.70000110.8T61 E62 A67 E68 E69T61-T65 PolarHBondContact O-N 3.21Å; T61-T65 PolarHBondContact O-OG1 2.79Å; E62-T65 PolarHBondContact O-N 3.06Å; T65-A67 VanDerWaalsContact C-N 3.31Å; T65-A67 PolarHBondContact O-N 3.47Å; T65-E68 PolarHBondContact O-N 2.93Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E69 WeakPolarHBondContact O-CG 3.46Å; T65-E69 PolarHBondContact O-N 3.33Å
66S86.2Confident82.8Confident60 Ų6066.2 Ų66.242%0.4236%0.359SS..Hα-helixtrans-61.2-37.6176.1-176.50000112.8E62 G63 F64 E69 T70E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 2.93Å; G63-S66 PolarHBondContact O-N 3.04Å; F64-S66 PolarHBondContact O-N 3.08Å; S66-E69 PolarHBondContact O-N 3.5Å; S66-T70 WeakPolarHBondContact O-CB 3.44Å; S66-T70 PolarHBondContact O-N 2.95Å; S66-T70 PolarHBondContact O-OG1 3.44Å
67A88.8Confident84.2Confident1 Ų161.5 Ų61.51%0.00835%0.347CS..Hα-helixtrans-64-42.4175.200000111.6I52 L57 G63 F64 T65 T70 I71 W92I52-A67 HydrophobicContact CD1-CB 4.2Å; I52-A67 HydrophobicContact CG2-CB 4.26Å; L57-A67 HydrophobicContact CD1-CB 4.15Å; G63-A67 PolarHBondContact O-N 3.37Å; F64-A67 WeakPolarHBondContact O-CB 3.37Å; F64-A67 PolarHBondContact O-N 3.15Å; T65-A67 VanDerWaalsContact C-N 3.31Å; T65-A67 PolarHBondContact O-N 3.47Å; A67-T70 PolarHBondContact O-N 2.89Å; A67-I71 WeakPolarHBondContact O-CD1 3.41Å; A67-I71 VanDerWaalsContact O-CG1 3.24Å; A67-I71 WeakPolarHBondContact O-CG1 3.41Å; A67-I71 PolarHBondContact O-N 2.94Å; A67-W92 HydrophobicContact CB-CH2 4.28Å; A67-W92 HydrophobicContact CB-CZ2 3.97Å
68E90.1Very high85.5Confident57 Ų5760.8 Ų60.827%0.26635%0.346SS..Hα-helixtrans-66.8-39.3177-70.9178.5-158.500113.3F64 T65 T70 I71 S72 W92F64-E68 PolarHBondContact O-N 3.02Å; T65-E68 PolarHBondContact O-N 2.93Å; T65-E68 VanDerWaalsContact O-N 3.15Å; E68-T70 VanDerWaalsContact C-N 3.33Å; E68-I71 PolarHBondContact O-N 3.24Å; E68-S72 WeakPolarHBondContact O-CB 3.35Å; E68-S72 PolarHBondContact O-N 3.27Å; E68-S72 PolarHBondContact O-OG 3.03Å; E68-W92 HydrophobicContact CG-CZ2 4.11Å; E68-W92 PolarHBondContact OE1-NE1 3Å
69E90.9Very high87.1Confident123 Ų12362 Ų6258%0.57534%0.344SS*.Hα-helixtrans-63.7-40.8173.2-72.8176.6173.700111.3T65 S66 S72 S73T65-E69 WeakPolarHBondContact O-CG 3.46Å; T65-E69 PolarHBondContact O-N 3.33Å; S66-E69 PolarHBondContact O-N 3.5Å; E69-S72 PolarHBondContact O-N 3.06Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.49Å
70T92.1Very high88.5Confident26 Ų2657 Ų5716%0.1631%0.308CS..Hα-helixtrans-65.2-41.7176.2-58.50000111.4T50 I52 S66 A67 E68 S73 S74 V81T50-T70 HydrophobicContact CG2-CG2 3.71Å; I52-T70 HydrophobicContact CD1-CG2 3.83Å; S66-T70 WeakPolarHBondContact O-CB 3.44Å; S66-T70 PolarHBondContact O-N 2.95Å; S66-T70 PolarHBondContact O-OG1 3.44Å; A67-T70 PolarHBondContact O-N 2.89Å; E68-T70 VanDerWaalsContact C-N 3.33Å; T70-S73 WeakPolarHBondContact CA-OG 3.24Å; T70-S73 PolarHBondContact O-OG 3.42Å; T70-S74 WeakPolarHBondContact O-CB 3.38Å; T70-S74 PolarHBondContact O-N 2.97Å; T70-S74 PolarHBondContact O-OG 2.78Å; T70-V81 HydrophobicContact CG2-CG2 4.31Å
71I93.8Very high89.7Confident2 Ų255.1 Ų55.11%0.0130%0.295CS..Hα-helixtrans-63.5-45.8174.6-68.5162.8000110.1A67 E68 S75 V81 L83 W92 L96 F109 L111A67-I71 WeakPolarHBondContact O-CD1 3.41Å; A67-I71 VanDerWaalsContact O-CG1 3.24Å; A67-I71 WeakPolarHBondContact O-CG1 3.41Å; A67-I71 PolarHBondContact O-N 2.94Å; E68-I71 PolarHBondContact O-N 3.24Å; I71-S75 WeakPolarHBondContact O-CA 3.44Å; I71-S75 WeakPolarHBondContact O-CB 3.49Å; I71-S75 PolarHBondContact O-N 3.4Å; I71-V81 HydrophobicContact CG1-CG1 4.15Å; I71-L83 HydrophobicContact CD1-CD1 4.19Å; I71-W92 HydrophobicContact CD1-CH2 4.24Å; I71-W92 HydrophobicContact CD1-CZ2 4.49Å; I71-L96 HydrophobicContact CD1-CD1 3.67Å; I71-F109 HydrophobicContact CG2-CZ 4.33Å; I71-L111 HydrophobicContact CG1-CD1 4.43Å
72S93.1Very high90.9Very high32 Ų3249.2 Ų49.222%0.22426%0.259CS..Hα-helixtrans-66.4-40.1-178-59.30000112.6E68 E69 K76E68-S72 WeakPolarHBondContact O-CB 3.35Å; E68-S72 PolarHBondContact O-N 3.27Å; E68-S72 PolarHBondContact O-OG 3.03Å; E69-S72 PolarHBondContact O-N 3.06Å; S72-K76 WeakPolarHBondContact O-CG 3.41Å; S72-K76 PolarHBondContact O-N 2.91Å
73S94.2Very high91.8Very high66 Ų6641.4 Ų41.446%0.46222%0.222SC..Hα-helixtrans-71-46.6176.655.70000111.7E69 T70 S75 K76 S77E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.49Å; T70-S73 WeakPolarHBondContact CA-OG 3.24Å; T70-S73 PolarHBondContact O-OG 3.42Å; S73-S75 VanDerWaalsContact C-N 3.3Å; S73-S75 PolarHBondContact O-N 2.86Å; S73-K76 PolarHBondContact O-N 3.25Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S73-S77 PolarHBondContact O-N 3.21Å; S73-S77 PolarHBondContact O-OG 2.84Å
74S94.3Very high92.4Very high4 Ų443.4 Ų43.43%0.02823%0.229CC..Hα-helixtrans-65.7-34.3178.2-59.80000112.3T70 K76 S77 G78 R79 V81 F109T70-S74 WeakPolarHBondContact O-CB 3.38Å; T70-S74 PolarHBondContact O-N 2.97Å; T70-S74 PolarHBondContact O-OG 2.78Å; S74-K76 VanDerWaalsContact C-N 3.3Å; S74-K76 PolarHBondContact O-N 3.16Å; S74-S77 PolarHBondContact O-N 3.17Å; S74-S77 PolarHBondContact O-OG 3.03Å; S74-G78 WeakPolarHBondContact O-CA 3.4Å; S74-G78 PolarHBondContact O-N 3.29Å; S74-R79 PolarHBondContact O-N 3.23Å; S74-V81 VanDerWaalsContact CB-CG2 3.41Å; S74-V81 WeakPolarHBondContact OG-CG2 3.38Å; S74-F109 WeakPolarHBondContact O-CD2 3.46Å
75S94.5Very high92.7Very high3 Ų344.7 Ų44.72%0.02124%0.238CC..Hα-helixtrans-59.4-39.5173.2173.90000112I71 S73 L103 P105 H106 F109I71-S75 WeakPolarHBondContact O-CA 3.44Å; I71-S75 WeakPolarHBondContact O-CB 3.49Å; I71-S75 PolarHBondContact O-N 3.4Å; S73-S75 VanDerWaalsContact C-N 3.3Å; S73-S75 PolarHBondContact O-N 2.86Å; S75-L103 VanDerWaalsContact OG-CD2 3.24Å; S75-L103 WeakPolarHBondContact OG-CD2 3.11Å; S75-L103 VanDerWaalsContact OG-CG 3.26Å; S75-L103 WeakPolarHBondContact OG-CG 3.36Å; S75-P105 WeakPolarHBondContact OG-CA 3.44Å; S75-H106 WeakPolarHBondContact O-CB 3.4Å; S75-H106 PolarHBondContact O-N 3.3Å; S75-F109 VanDerWaalsContact CA-CD2 3.46Å
76K94Very high93Very high171 Ų17141.3 Ų41.374%0.74322%0.217SC*.Hα-helixtrans-76.5-40.6176.4-67.9175-178.6-179.90112.5S72 S73 S74S72-K76 WeakPolarHBondContact O-CG 3.41Å; S72-K76 PolarHBondContact O-N 2.91Å; S73-K76 PolarHBondContact O-N 3.25Å; S73-K76 VanDerWaalsContact O-N 3.16Å; S74-K76 VanDerWaalsContact C-N 3.3Å; S74-K76 PolarHBondContact O-N 3.16Å
77S93.7Very high93.2Very high70 Ų7039.5 Ų39.549%0.4920%0.202SC..Hα-helixtrans-83.2-8.9-176.872.60000114.2S73 S74 R79S73-S77 PolarHBondContact O-N 3.21Å; S73-S77 PolarHBondContact O-OG 2.84Å; S74-S77 PolarHBondContact O-N 3.17Å; S74-S77 PolarHBondContact O-OG 3.03Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact O-N 2.86Å; S77-R79 WeakPolarHBondContact OG-CG 3.48Å
78G93Very high93.2Very high10 Ų1043.1 Ų43.110%0.10322%0.221CC..THydrogen-bonded Turntrans72.720.4-175.400000115.1S74 H106 N108S74-G78 WeakPolarHBondContact O-CA 3.4Å; S74-G78 PolarHBondContact O-N 3.29Å; G78-H106 WeakPolarHBondContact CA-ND1 3.44Å; G78-N108 CarbonylContact O-C 3.49Å
79R95.2Very high93.3Very high121 Ų12140.7 Ų40.746%0.45721%0.21SC..  trans-81.6159.8176.9-73178.374.6111.91.4111S74 S77 F109S74-R79 PolarHBondContact O-N 3.23Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact O-N 2.86Å; S77-R79 WeakPolarHBondContact OG-CG 3.48Å; R79-F109 WeakPolarHBondContact O-CD2 3.41Å
80W96.4Very high93.2Very high6 Ų636.5 Ų36.52%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-90.9146.2178.9-675.5000111V14 L41 A42 M45 K47 G48 I49 T50 N108 R110 F112V14-W80 HydrophobicContact CG1-CH2 3.73Å; V14-W80 HydrophobicContact CG1-CZ2 3.73Å; L41-W80 HydrophobicContact CD2-CH2 4.39Å; L41-W80 HydrophobicContact CD2-CZ3 4.31Å; L41-W80 HydrophobicContact CG-CH2 4.37Å; L41-W80 HydrophobicContact CG-CZ3 4.21Å; A42-W80 HydrophobicContact CB-CE3 4Å; A42-W80 HydrophobicContact CB-CZ3 4.18Å; M45-W80 HydrophobicContact CE-CH2 4.17Å; M45-W80 HydrophobicContact CE-CZ2 4.28Å; M45-W80 HydrophobicContact SD-CH2 3.72Å; M45-W80 HydrophobicContact SD-CZ2 4.42Å; K47-W80 HydrophobicContact CB-CD2 3.96Å; K47-W80 HydrophobicContact CB-CE3 4.15Å; K47-W80 HydrophobicContact CB-CG 4.45Å; K47-W80 HydrophobicContact CB-CH2 4.47Å; K47-W80 HydrophobicContact CB-CZ2 4.3Å; K47-W80 HydrophobicContact CB-CZ3 4.4Å; K47-W80 HydrophobicContact CG-CD2 4.31Å; K47-W80 HydrophobicContact CG-CH2 4.08Å; K47-W80 HydrophobicContact CG-CZ2 3.75Å; K47-W80 HydrophobicContact CG-CZ3 4.48Å; G48-W80 PolarHBondContact O-N 2.81Å; I49-W80 CarbonylContact C-O 3.5Å; I49-W80 WeakPolarHBondContact CA-O 3.45Å; I49-W80 HydrophobicContact CB-CB 4.14Å; I49-W80 HydrophobicContact CD1-CB 4.4Å; I49-W80 HydrophobicContact CG1-CB 3.96Å; T50-W80 PolarHBondContact N-O 3.11Å; W80-N108 PolarHBondContact NE1-O 3.14Å; W80-R110 WeakPolarHBondContact CA-O 3.38Å; W80-R110 HydrophobicContact CD2-CB 4.17Å; W80-R110 HydrophobicContact CD2-CG 4.5Å; W80-R110 HydrophobicContact CG-CB 4Å; W80-R110 HydrophobicContact CZ2-CG 4.2Å; W80-F112 HydrophobicContact CB-CE2 4.25Å; W80-F112 AromaticContact CD2-CE2 3.81Å; W80-F112 HydrophobicContact CD2-CE2 3.81Å; W80-F112 HydrophobicContact CD2-CZ 4.35Å; W80-F112 AromaticContact CE3-CE2 3.58Å; W80-F112 HydrophobicContact CE3-CE2 3.58Å; W80-F112 AromaticContact CE3-CZ 3.94Å; W80-F112 HydrophobicContact CE3-CZ 3.94Å; W80-F112 HydrophobicContact CG-CE2 4.14Å; W80-F112 HydrophobicContact CZ3-CE2 4.15Å; W80-F112 HydrophobicContact CZ3-CZ 4.03Å
81V96.3Very high93.1Very high0 Ų043.3 Ų43.30%022%0.224CC..EExtended strand (participates in β ladder)trans-125.1133.5176.2178.10000109I52 T70 I71 S74 L83 F109 R110 L111 F112I52-V81 HydrophobicContact CD1-CG1 4.14Å; T70-V81 HydrophobicContact CG2-CG2 4.31Å; I71-V81 HydrophobicContact CG1-CG1 4.15Å; S74-V81 VanDerWaalsContact CB-CG2 3.41Å; S74-V81 WeakPolarHBondContact OG-CG2 3.38Å; V81-L83 HydrophobicContact CG1-CD2 3.97Å; V81-L83 HydrophobicContact CG1-CG 4.29Å; V81-F109 HydrophobicContact CG2-CE2 4.08Å; V81-R110 PolarHBondContact N-O 2.75Å; V81-L111 HydrophobicContact CB-CD1 3.81Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; V81-F112 PolarHBondContact O-N 2.98Å
82L95.9Very high92.9Very high0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-120.6103.7178173.361.5000110V38 I49 T50 P51 I52 K84 F112 T114V38-L82 HydrophobicContact CB-CD1 4.31Å; V38-L82 HydrophobicContact CB-CD2 4.13Å; V38-L82 HydrophobicContact CG1-CD1 4.28Å; V38-L82 HydrophobicContact CG1-CD2 4.3Å; V38-L82 HydrophobicContact CG2-CD1 4.27Å; I49-L82 HydrophobicContact CD1-CB 3.92Å; I49-L82 HydrophobicContact CD1-CD2 4.29Å; I49-L82 HydrophobicContact CG1-CB 4.21Å; T50-L82 PolarHBondContact O-N 3.36Å; P51-L82 CarbonylContact C-O 3.56Å; P51-L82 WeakPolarHBondContact CA-O 3.37Å; P51-L82 HydrophobicContact CB-CB 4.49Å; P51-L82 HydrophobicContact CB-CD2 4.44Å; I52-L82 PolarHBondContact N-O 2.95Å; L82-K84 HydrophobicContact CG-CG 4.16Å; L82-F112 CarbonylContact C-O 3.33Å; L82-F112 WeakPolarHBondContact CA-O 3.48Å; L82-F112 HydrophobicContact CD1-CB 3.67Å; L82-T114 HydrophobicContact CD1-CG2 3.85Å
83L94.7Very high92.9Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-87116.3174.1-56.2178.6000109.1I52 M54 I71 V81 V86 W92 L96 L111 F112 L113 T114I52-L83 HydrophobicContact CB-CD2 3.93Å; I52-L83 HydrophobicContact CD1-CD2 3.91Å; I52-L83 HydrophobicContact CG1-CD2 4.5Å; I52-L83 HydrophobicContact CG2-CD2 4.26Å; I52-L83 CarbonylContact O-C 3.59Å; I52-L83 WeakPolarHBondContact O-CA 3.18Å; M54-L83 HydrophobicContact SD-CD2 4.37Å; I71-L83 HydrophobicContact CD1-CD1 4.19Å; V81-L83 HydrophobicContact CG1-CD2 3.97Å; V81-L83 HydrophobicContact CG1-CG 4.29Å; L83-V86 HydrophobicContact CB-CG1 3.45Å; L83-V86 VanDerWaalsContact CB-CG1 3.45Å; L83-V86 HydrophobicContact CD1-CG1 4.44Å; L83-W92 HydrophobicContact CD1-CH2 3.74Å; L83-W92 HydrophobicContact CD1-CZ3 3.89Å; L83-W92 HydrophobicContact CD2-CH2 4.45Å; L83-L96 HydrophobicContact CD1-CD2 3.79Å; L83-L111 HydrophobicContact CD1-CD1 4.05Å; L83-L111 HydrophobicContact CG-CD1 4.08Å; L83-F112 PolarHBondContact N-O 3.11Å; L83-L113 HydrophobicContact CB-CG 4.42Å; L83-L113 HydrophobicContact CD1-CD2 4.36Å; L83-L113 HydrophobicContact CD1-CG 4.23Å; L83-L113 CarbonylContact O-C 3.44Å; L83-L113 WeakPolarHBondContact O-CA 3.36Å; L83-T114 PolarHBondContact O-N 2.84Å
84K93Very high92.7Very high47 Ų4741.9 Ų41.920%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-95.5139.4-178.6-52.8-170.1-176.2-160.60112.1S35 I52 M54 L82 V86 T114S35-K84 WeakPolarHBondContact OG-CE 3.39Å; S35-K84 PolarHBondContact OG-NZ 3.29Å; I52-K84 PolarHBondContact O-N 2.81Å; M54-K84 WeakPolarHBondContact CB-O 3.37Å; M54-K84 WeakPolarHBondContact CG-O 3.25Å; M54-K84 PolarHBondContact N-O 3.49Å; L82-K84 HydrophobicContact CG-CG 4.16Å; K84-V86 PolarHBondContact O-N 3.5Å; K84-T114 VanDerWaalsContact CA-OG1 3.25Å; K84-T114 WeakPolarHBondContact CA-OG1 3.41Å
85N90.4Very high92.6Very high68 Ų6846.9 Ų46.936%0.36423%0.233SC..  trans56.546174.7-58.9-17.6000113.4H87 L88 T114N85-H87 PolarHBondContact O-N 2.88Å; N85-L88 HydrophobicContact CB-CD1 3.74Å; N85-L88 HydrophobicContact CB-CG 4.17Å; N85-L88 WeakPolarHBondContact O-CB 3.14Å; N85-L88 WeakPolarHBondContact O-CG 3.26Å; N85-L88 PolarHBondContact O-N 3.28Å; N85-L88 VanDerWaalsContact O-N 3.16Å; N85-T114 CarbonylContact C-O 3.5Å; N85-T114 WeakPolarHBondContact CA-O 3.31Å; N85-T114 PolarHBondContact N-O 3.2Å; N85-T114 PolarHBondContact N-OG1 2.82Å
86V92.3Very high92.4Very high1 Ų146.8 Ų46.81%0.00623%0.232CC..G310 helixtrans-68.1-19.9-173-56.10000114.1M54 L83 K84 L88 A89 L93 L113 T114 M115M54-V86 HydrophobicContact CG-CB 4.29Å; M54-V86 HydrophobicContact CG-CG1 3.79Å; L83-V86 HydrophobicContact CB-CG1 3.45Å; L83-V86 VanDerWaalsContact CB-CG1 3.45Å; L83-V86 HydrophobicContact CD1-CG1 4.44Å; K84-V86 PolarHBondContact O-N 3.5Å; V86-L88 PolarHBondContact O-N 3.2Å; V86-L88 VanDerWaalsContact O-N 3.12Å; V86-A89 PolarHBondContact O-N 3.2Å; V86-L93 HydrophobicContact CB-CD1 4.18Å; V86-L93 HydrophobicContact CB-CD2 3.81Å; V86-L93 HydrophobicContact CB-CG 4.34Å; V86-L93 HydrophobicContact CG1-CD2 4.48Å; V86-L93 HydrophobicContact CG2-CD1 3.99Å; V86-L93 HydrophobicContact CG2-CD2 4.05Å; V86-L93 WeakPolarHBondContact O-CD1 3.45Å; V86-L113 HydrophobicContact CG1-CB 4.18Å; V86-L113 HydrophobicContact CG1-CD2 4.23Å; V86-L113 HydrophobicContact CG1-CG 4.4Å; V86-L113 HydrophobicContact CG2-CB 4.04Å; V86-L113 HydrophobicContact CG2-CD2 4.11Å; V86-T114 PolarHBondContact N-O 3.32Å; V86-M115 HydrophobicContact CG2-CB 3.78Å; V86-M115 HydrophobicContact CG2-CE 3.3Å; V86-M115 HydrophobicContact CG2-CG 4.49Å; V86-M115 HydrophobicContact CG2-SD 4.1Å
87H90.2Very high92.3Very high22 Ų2239.8 Ų39.810%0.10220%0.202CC..G310 helixtrans-58.8-19.917359.3-79.6000113.3N85 A89 M115 E116 H118 L121N85-H87 PolarHBondContact O-N 2.88Å; H87-A89 VanDerWaalsContact C-N 3.26Å; H87-A89 PolarHBondContact O-N 3.44Å; H87-M115 HydrophobicContact CB-CB 4.11Å; H87-M115 WeakPolarHBondContact ND1-CA 3.48Å; H87-E116 PolarHBondContact ND1-N 3.23Å; H87-E116 VanDerWaalsContact ND1-N 3.16Å; H87-H118 HydrophobicContact CB-CB 4.41Å; H87-L121 HydrophobicContact CB-CD2 4.13Å
88L90.2Very high92.1Very high76 Ų7643.4 Ų43.440%0.39821%0.209SC..G310 helixtrans-72-17.5174.9-60.3177.7000113.2L58 N85 V86L58-L88 HydrophobicContact CD1-CB 4.05Å; N85-L88 HydrophobicContact CB-CD1 3.74Å; N85-L88 HydrophobicContact CB-CG 4.17Å; N85-L88 WeakPolarHBondContact O-CB 3.14Å; N85-L88 WeakPolarHBondContact O-CG 3.26Å; N85-L88 PolarHBondContact O-N 3.28Å; N85-L88 VanDerWaalsContact O-N 3.16Å; V86-L88 PolarHBondContact O-N 3.2Å; V86-L88 VanDerWaalsContact O-N 3.12Å
89A90.5Very high91.9Very high6 Ų646.6 Ų46.65%0.0522%0.22CC..  trans-12961.6-177.200000112.7M54 L58 F64 V86 H87 Q91 W92 L93M54-A89 HydrophobicContact CE-CB 4.17Å; L58-A89 HydrophobicContact CD2-CB 4.11Å; F64-A89 HydrophobicContact CE1-CB 3.85Å; F64-A89 HydrophobicContact CZ-CB 4.12Å; V86-A89 PolarHBondContact O-N 3.2Å; H87-A89 VanDerWaalsContact C-N 3.26Å; H87-A89 PolarHBondContact O-N 3.44Å; A89-Q91 VanDerWaalsContact C-N 3.31Å; A89-Q91 PolarHBondContact O-N 3.48Å; A89-W92 HydrophobicContact CB-CB 4.23Å; A89-W92 PolarHBondContact O-N 3.33Å; A89-L93 PolarHBondContact O-N 3.03Å; A89-L93 VanDerWaalsContact O-N 3.14Å
90P89.2Confident91.7Very high35 Ų3542.1 Ų42.123%0.22721%0.205CC..Hα-helixtrans-63.1-32.5-17325.2-34.5000113.9L93 V94 K120P90-L93 WeakPolarHBondContact O-CB 3.27Å; P90-L93 PolarHBondContact O-N 3.4Å; P90-V94 PolarHBondContact O-N 3.02Å; P90-K120 HydrophobicContact CB-CB 4.07Å; P90-K120 VanDerWaalsContact CB-O 3.27Å; P90-K120 WeakPolarHBondContact CB-O 3.49Å; P90-K120 HydrophobicContact CG-CB 4.32Å
91Q89.5Confident91.2Very high169 Ų16948.5 Ų48.579%0.7924%0.235SC*.Hα-helixtrans-67.5-40.9177.7-69178-12.700112A89 L93 V94A89-Q91 VanDerWaalsContact C-N 3.31Å; A89-Q91 PolarHBondContact O-N 3.48Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.07Å; Q91-V94 WeakPolarHBondContact O-CB 3.45Å; Q91-V94 PolarHBondContact O-N 3.44Å
92W90.5Very high90.9Very high9 Ų952.4 Ų52.43%0.03426%0.262CS..Hα-helixtrans-68.4-32.1176.2-179.476.6000111.7M54 F64 A67 E68 I71 L83 A89 V94 Q95 L96M54-W92 HydrophobicContact CE-CD2 3.78Å; M54-W92 HydrophobicContact CE-CE3 3.29Å; M54-W92 HydrophobicContact CE-CH2 4.01Å; M54-W92 HydrophobicContact CE-CZ2 4.45Å; M54-W92 HydrophobicContact CE-CZ3 3.42Å; M54-W92 VanDerWaalsContact CE-CZ3 3.42Å; M54-W92 HydrophobicContact SD-CE3 4.29Å; M54-W92 HydrophobicContact SD-CH2 4.17Å; M54-W92 HydrophobicContact SD-CZ3 3.8Å; F64-W92 HydrophobicContact CD1-CB 3.84Å; F64-W92 AromaticContact CD1-CD1 3.36Å; F64-W92 AromaticContact CD1-CD2 3.7Å; F64-W92 HydrophobicContact CD1-CD2 3.7Å; F64-W92 AromaticContact CD1-CE2 3.92Å; F64-W92 AromaticContact CD1-CG 3.31Å; F64-W92 HydrophobicContact CD1-CG 3.31Å; F64-W92 AromaticContact CD1-NE1 3.73Å; F64-W92 HydrophobicContact CE1-CB 3.66Å; F64-W92 HydrophobicContact CE1-CD2 4.11Å; F64-W92 AromaticContact CE1-CG 3.65Å; F64-W92 HydrophobicContact CE1-CG 3.65Å; F64-W92 AromaticContact CG-CD1 3.8Å; F64-W92 HydrophobicContact CG-CG 4.18Å; F64-W92 HydrophobicContact CZ-CB 4.43Å; A67-W92 HydrophobicContact CB-CH2 4.28Å; A67-W92 HydrophobicContact CB-CZ2 3.97Å; E68-W92 HydrophobicContact CG-CZ2 4.11Å; E68-W92 PolarHBondContact OE1-NE1 3Å; I71-W92 HydrophobicContact CD1-CH2 4.24Å; I71-W92 HydrophobicContact CD1-CZ2 4.49Å; L83-W92 HydrophobicContact CD1-CH2 3.74Å; L83-W92 HydrophobicContact CD1-CZ3 3.89Å; L83-W92 HydrophobicContact CD2-CH2 4.45Å; A89-W92 HydrophobicContact CB-CB 4.23Å; A89-W92 PolarHBondContact O-N 3.33Å; W92-V94 PolarHBondContact O-N 3.42Å; W92-Q95 WeakPolarHBondContact O-CA 3.25Å; W92-Q95 WeakPolarHBondContact O-CB 3.47Å; W92-Q95 PolarHBondContact O-N 2.89Å; W92-L96 HydrophobicContact CH2-CB 4.46Å; W92-L96 HydrophobicContact CH2-CD1 4.37Å; W92-L96 HydrophobicContact CH2-CD2 4.05Å; W92-L96 HydrophobicContact CZ3-CB 4.37Å; W92-L96 HydrophobicContact CZ3-CD2 3.87Å; W92-L96 PolarHBondContact O-N 3.2Å
93L92.2Very high90.5Very high0 Ų053.9 Ų53.90%027%0.27CS..Hα-helixtrans-59.1-31.6173.7-73.6-178.1000113.4V86 A89 P90 Q91 Q95 L96 E97 L113 L121 P122 L125V86-L93 HydrophobicContact CB-CD1 4.18Å; V86-L93 HydrophobicContact CB-CD2 3.81Å; V86-L93 HydrophobicContact CB-CG 4.34Å; V86-L93 HydrophobicContact CG1-CD2 4.48Å; V86-L93 HydrophobicContact CG2-CD1 3.99Å; V86-L93 HydrophobicContact CG2-CD2 4.05Å; V86-L93 WeakPolarHBondContact O-CD1 3.45Å; A89-L93 PolarHBondContact O-N 3.03Å; A89-L93 VanDerWaalsContact O-N 3.14Å; P90-L93 WeakPolarHBondContact O-CB 3.27Å; P90-L93 PolarHBondContact O-N 3.4Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.07Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; L93-L96 HydrophobicContact CD2-CD2 3.98Å; L93-L96 PolarHBondContact O-N 3.32Å; L93-E97 WeakPolarHBondContact O-CB 3.48Å; L93-E97 PolarHBondContact O-N 2.91Å; L93-L113 HydrophobicContact CD2-CD2 4.11Å; L93-L121 HydrophobicContact CD1-CD2 3.73Å; L93-P122 HydrophobicContact CB-CG 3.67Å; L93-L125 HydrophobicContact CB-CD2 3.93Å; L93-L125 HydrophobicContact CD1-CD2 4.13Å; L93-L125 HydrophobicContact CD2-CD2 3.67Å; L93-L125 HydrophobicContact CG-CD2 4.13Å
94V91.5Very high90.3Very high61 Ų6160.3 Ų60.337%0.3731%0.309SS..Hα-helixtrans-67-34.3173.1-178.60000111.3P90 Q91 W92 K98 P122P90-V94 PolarHBondContact O-N 3.02Å; Q91-V94 WeakPolarHBondContact O-CB 3.45Å; Q91-V94 PolarHBondContact O-N 3.44Å; W92-V94 PolarHBondContact O-N 3.42Å; V94-K98 PolarHBondContact O-N 3.49Å; V94-P122 HydrophobicContact CG2-CB 4.11Å; V94-P122 HydrophobicContact CG2-CG 3.62Å
95Q90.5Very high90.2Very high109 Ų10959.1 Ų59.151%0.50931%0.306SS..Hα-helixtrans-72.5-42.9175.6-61.5176-8.900110.8W92 L93 E97 K98 K99W92-Q95 WeakPolarHBondContact O-CA 3.25Å; W92-Q95 WeakPolarHBondContact O-CB 3.47Å; W92-Q95 PolarHBondContact O-N 2.89Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; Q95-E97 VanDerWaalsContact C-N 3.31Å; Q95-E97 PolarHBondContact O-N 2.93Å; Q95-K98 PolarHBondContact O-N 3.16Å; Q95-K99 PolarHBondContact O-N 3.5Å
96L91.7Very high90.4Very high2 Ų259.4 Ų59.41%0.0131%0.305CS..Hα-helixtrans-57.4-44.5174.1178.762000111.5I71 L83 W92 L93 K98 K99 L100 L111 L113I71-L96 HydrophobicContact CD1-CD1 3.67Å; L83-L96 HydrophobicContact CD1-CD2 3.79Å; W92-L96 HydrophobicContact CH2-CB 4.46Å; W92-L96 HydrophobicContact CH2-CD1 4.37Å; W92-L96 HydrophobicContact CH2-CD2 4.05Å; W92-L96 HydrophobicContact CZ3-CB 4.37Å; W92-L96 HydrophobicContact CZ3-CD2 3.87Å; W92-L96 PolarHBondContact O-N 3.2Å; L93-L96 HydrophobicContact CD2-CD2 3.98Å; L93-L96 PolarHBondContact O-N 3.32Å; L96-K98 PolarHBondContact O-N 2.83Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 2.96Å; L96-K99 VanDerWaalsContact O-N 3.15Å; L96-L100 HydrophobicContact CD1-CD1 4.43Å; L96-L100 HydrophobicContact CD1-CG 4.19Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 HydrophobicContact CG-CG 4.35Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3Å; L96-L111 HydrophobicContact CD1-CD2 4.47Å; L96-L113 HydrophobicContact CD2-CD2 3.86Å
97E91.1Very high90.4Very high24 Ų2463.6 Ų63.611%0.11233%0.332CS..Hα-helixtrans-53.4-50.5174.9179-160145.900111.9L93 Q95 K99 L100 H101 N124 L125L93-E97 WeakPolarHBondContact O-CB 3.48Å; L93-E97 PolarHBondContact O-N 2.91Å; Q95-E97 VanDerWaalsContact C-N 3.31Å; Q95-E97 PolarHBondContact O-N 2.93Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 2.99Å; E97-L100 PolarHBondContact O-N 3.04Å; E97-H101 PolarHBondContact O-N 3.37Å; E97-H101 PolarHBondContact O-ND1 3.14Å; E97-N124 HydrophobicContact CG-CB 4.2Å; E97-N124 WeakPolarHBondContact OE1-CB 3.28Å; E97-N124 PolarHBondContact OE1-ND2 3.47Å; E97-N124 VanDerWaalsContact OE1-ND2 3.08Å; E97-N124 WeakPolarHBondContact OE2-CB 3.41Å; E97-L125 HydrophobicContact CB-CB 4.43Å
98K90.7Very high90.6Very high146 Ų14666.7 Ų66.764%0.63535%0.35SS*.Hα-helixtrans-61.6-39.8178-68.8177.4-179.2-178.50111.7V94 Q95 L96 H101V94-K98 PolarHBondContact O-N 3.49Å; Q95-K98 PolarHBondContact O-N 3.16Å; L96-K98 PolarHBondContact O-N 2.83Å; K98-H101 PolarHBondContact O-N 2.87Å
99K88.4Confident90.8Very high77 Ų7763.2 Ų63.234%0.33533%0.331SS..Hα-helixtrans-64.9-43.6178.8-172.667.8172.4-165.80111.8Q95 L96 E97 H101 S102 L103Q95-K99 PolarHBondContact O-N 3.5Å; L96-K99 WeakPolarHBondContact O-CB 3.43Å; L96-K99 PolarHBondContact O-N 2.96Å; L96-K99 VanDerWaalsContact O-N 3.15Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 2.99Å; K99-H101 VanDerWaalsContact C-N 3.27Å; K99-H101 PolarHBondContact O-N 3.28Å; K99-S102 PolarHBondContact O-N 3.42Å; K99-S102 PolarHBondContact O-OG 3.03Å; K99-L103 PolarHBondContact O-N 3.36Å
100L89.9Confident91.1Very high27 Ų2764.2 Ų64.214%0.14133%0.334CS..Hα-helixtrans-59.8-36.9179.4-71.7173.8000112.3P23 L96 E97 S102 L103 L111 L125P23-L100 HydrophobicContact CB-CD1 4.33Å; P23-L100 HydrophobicContact CG-CD1 3.94Å; L96-L100 HydrophobicContact CD1-CD1 4.43Å; L96-L100 HydrophobicContact CD1-CG 4.19Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 HydrophobicContact CG-CG 4.35Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3Å; E97-L100 PolarHBondContact O-N 3.04Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 3.21Å; L100-L103 HydrophobicContact CD2-CD2 4.45Å; L100-L103 PolarHBondContact O-N 3.27Å; L100-L111 HydrophobicContact CD1-CD2 4.21Å; L100-L111 HydrophobicContact CD2-CD2 3.71Å; L100-L111 HydrophobicContact CG-CD2 4.5Å; L100-L125 HydrophobicContact CD1-CD1 4.01Å
101H87.5Confident91.4Very high139 Ų13962.7 Ų62.764%0.64432%0.324SS*.Hα-helixtrans-64.5-29.7174.7-75.284.4000113.5E97 K98 K99E97-H101 PolarHBondContact O-N 3.37Å; E97-H101 PolarHBondContact O-ND1 3.14Å; K98-H101 PolarHBondContact O-N 2.87Å; K99-H101 VanDerWaalsContact C-N 3.27Å; K99-H101 PolarHBondContact O-N 3.28Å
102S88.5Confident91.7Very high82 Ų8254.6 Ų54.657%0.57329%0.286SS*.Hα-helixtrans-89.2-8.9179.369.80000114.3K99 L100K99-S102 PolarHBondContact O-N 3.42Å; K99-S102 PolarHBondContact O-OG 3.03Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 3.21Å
103L87.7Confident91.9Very high31 Ų3154.2 Ų54.216%0.16228%0.284CS..  trans-81.8135.1-171.8-160.386.7000110.1S75 K99 L100 P105 F109S75-L103 VanDerWaalsContact OG-CD2 3.24Å; S75-L103 WeakPolarHBondContact OG-CD2 3.11Å; S75-L103 VanDerWaalsContact OG-CG 3.26Å; S75-L103 WeakPolarHBondContact OG-CG 3.36Å; K99-L103 PolarHBondContact O-N 3.36Å; L100-L103 HydrophobicContact CD2-CD2 4.45Å; L100-L103 PolarHBondContact O-N 3.27Å; L103-P105 VanDerWaalsContact C-CD 3.49Å; L103-P105 HydrophobicContact CD2-CB 3.95Å; L103-P105 HydrophobicContact CD2-CG 4.39Å; L103-P105 WeakPolarHBondContact O-CD 3.27Å; L103-F109 HydrophobicContact CD2-CE1 4.08Å
104V90Very high92Very high136 Ų13654.3 Ų54.382%0.82429%0.285SS*.  trans-105.388.3164.8-176.80000107.8
105P92.5Very high92.1Very high21 Ų2151.5 Ų51.514%0.13627%0.268CS..  trans-77.6140.4-173.228.9-33.6000112.8S20 A21 S75 L103 F109S20-P105 WeakPolarHBondContact O-CG 3.46Å; A21-P105 HydrophobicContact CB-CG 4.2Å; S75-P105 WeakPolarHBondContact OG-CA 3.44Å; L103-P105 VanDerWaalsContact C-CD 3.49Å; L103-P105 HydrophobicContact CD2-CB 3.95Å; L103-P105 HydrophobicContact CD2-CG 4.39Å; L103-P105 WeakPolarHBondContact O-CD 3.27Å; P105-F109 HydrophobicContact CB-CB 4.16Å; P105-F109 HydrophobicContact CB-CD1 3.61Å; P105-F109 HydrophobicContact CB-CE1 4.4Å; P105-F109 HydrophobicContact CB-CG 4.19Å
106H94.7Very high92.1Very high74 Ų7449.1 Ų49.134%0.34326%0.257SS..  trans-52.7141.4167.9-177.1-83.2000110.5S20 S75 G78 N108 F109S20-H106 WeakPolarHBondContact CB-O 3.46Å; S75-H106 WeakPolarHBondContact O-CB 3.4Å; S75-H106 PolarHBondContact O-N 3.3Å; G78-H106 WeakPolarHBondContact CA-ND1 3.44Å; H106-N108 PolarHBondContact ND1-N 3.43Å; H106-N108 VanDerWaalsContact ND1-N 3.15Å; H106-N108 PolarHBondContact O-N 2.88Å; H106-F109 WeakPolarHBondContact O-CB 3.34Å; H106-F109 PolarHBondContact O-N 3.38Å
107P92.3Very high91.8Very high90 Ų9054.7 Ų54.758%0.58429%0.285SS*.THydrogen-bonded Turntrans-54.7-31.2-174.5-29.335.7000115.5R110P107-R110 PolarHBondContact O-NH1 3.4Å
108N92.6Very high91.5Very high87 Ų8756.9 Ų56.947%0.46530%0.295SS..THydrogen-bonded Turntrans-84.6-9.6177.8-65.6-24.5000114.8G78 W80 H106G78-N108 CarbonylContact O-C 3.49Å; W80-N108 PolarHBondContact NE1-O 3.14Å; H106-N108 PolarHBondContact ND1-N 3.43Å; H106-N108 VanDerWaalsContact ND1-N 3.15Å; H106-N108 PolarHBondContact O-N 2.88Å
109F95.7Very high91.2Very high2 Ų256 Ų561%0.00930%0.304CS..  trans-63.9137178.4174.5-106000110.4S20 I71 S74 S75 R79 V81 L103 P105 H106 L111S20-F109 WeakPolarHBondContact CA-O 3.48Å; S20-F109 WeakPolarHBondContact CB-O 3.35Å; S20-F109 WeakPolarHBondContact O-CD1 3.44Å; I71-F109 HydrophobicContact CG2-CZ 4.33Å; S74-F109 WeakPolarHBondContact O-CD2 3.46Å; S75-F109 VanDerWaalsContact CA-CD2 3.46Å; R79-F109 WeakPolarHBondContact O-CD2 3.41Å; V81-F109 HydrophobicContact CG2-CE2 4.08Å; L103-F109 HydrophobicContact CD2-CE1 4.08Å; P105-F109 HydrophobicContact CB-CB 4.16Å; P105-F109 HydrophobicContact CB-CD1 3.61Å; P105-F109 HydrophobicContact CB-CE1 4.4Å; P105-F109 HydrophobicContact CB-CG 4.19Å; H106-F109 WeakPolarHBondContact O-CB 3.34Å; H106-F109 PolarHBondContact O-N 3.38Å; F109-L111 HydrophobicContact CE1-CB 3.93Å; F109-L111 HydrophobicContact CZ-CB 3.85Å
110R95.6Very high91.1Very high27 Ų2759.3 Ų59.310%0.10232%0.319CS..EExtended strand (participates in β ladder)trans-138.6132.5172-64.4-67.7-178.1-83.83.2108.9V14 V18 W80 V81 P107 F112V14-R110 HydrophobicContact CG1-CG 3.98Å; V14-R110 PolarHBondContact O-NE 3.48Å; V14-R110 PolarHBondContact O-NH2 3Å; V18-R110 PolarHBondContact O-NH2 3.21Å; W80-R110 WeakPolarHBondContact CA-O 3.38Å; W80-R110 HydrophobicContact CD2-CB 4.17Å; W80-R110 HydrophobicContact CD2-CG 4.5Å; W80-R110 HydrophobicContact CG-CB 4Å; W80-R110 HydrophobicContact CZ2-CG 4.2Å; V81-R110 PolarHBondContact N-O 2.75Å; P107-R110 PolarHBondContact O-NH1 3.4Å; R110-F112 HydrophobicContact CB-CD2 4.34Å; R110-F112 HydrophobicContact CB-CE2 3.55Å; R110-F112 HydrophobicContact CB-CZ 3.9Å
111L95.9Very high91.2Very high3 Ų358.6 Ų58.62%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-110.5121.6175.4-179.762.3000109.2P23 L24 I71 V81 L83 L96 L100 F109 L113P23-L111 HydrophobicContact CB-CB 4.44Å; P23-L111 HydrophobicContact CB-CD2 4.23Å; P23-L111 HydrophobicContact CB-CG 4.44Å; L24-L111 PolarHBondContact N-O 3.12Å; I71-L111 HydrophobicContact CG1-CD1 4.43Å; V81-L111 HydrophobicContact CB-CD1 3.81Å; V81-L111 HydrophobicContact CG1-CD1 3.82Å; L83-L111 HydrophobicContact CD1-CD1 4.05Å; L83-L111 HydrophobicContact CG-CD1 4.08Å; L96-L111 HydrophobicContact CD1-CD2 4.47Å; L100-L111 HydrophobicContact CD1-CD2 4.21Å; L100-L111 HydrophobicContact CD2-CD2 3.71Å; L100-L111 HydrophobicContact CG-CD2 4.5Å; F109-L111 HydrophobicContact CE1-CB 3.93Å; F109-L111 HydrophobicContact CZ-CB 3.85Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CG-CD1 3.81Å
112F96.5Very high91.3Very high0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-111.9136177.3-58.4-89.7000109.6V14 L24 L26 V38 W80 V81 L82 L83 R110V14-F112 HydrophobicContact CG1-CZ 4.2Å; V14-F112 HydrophobicContact CG2-CE1 3.67Å; V14-F112 HydrophobicContact CG2-CZ 3.83Å; L24-F112 HydrophobicContact CB-CD1 3.88Å; L24-F112 HydrophobicContact CB-CE1 4.31Å; L24-F112 HydrophobicContact CD1-CD1 4.33Å; L24-F112 HydrophobicContact CD1-CE1 4.09Å; L24-F112 HydrophobicContact CD2-CD1 4.36Å; L24-F112 HydrophobicContact CD2-CE1 4Å; L24-F112 HydrophobicContact CG-CD1 4.43Å; L24-F112 HydrophobicContact CG-CE1 4.37Å; L24-F112 CarbonylContact O-C 3.35Å; L24-F112 WeakPolarHBondContact O-CA 3.49Å; L26-F112 HydrophobicContact CD1-CB 4.06Å; L26-F112 HydrophobicContact CD1-CD1 3.99Å; V38-F112 HydrophobicContact CG1-CB 4.13Å; V38-F112 HydrophobicContact CG1-CD1 3.86Å; V38-F112 HydrophobicContact CG1-CD2 3.66Å; V38-F112 HydrophobicContact CG1-CE1 4.1Å; V38-F112 HydrophobicContact CG1-CE2 3.93Å; V38-F112 HydrophobicContact CG1-CG 3.61Å; V38-F112 HydrophobicContact CG1-CZ 4.14Å; V38-F112 HydrophobicContact CG2-CD1 4.15Å; V38-F112 HydrophobicContact CG2-CG 4.41Å; W80-F112 HydrophobicContact CB-CE2 4.25Å; W80-F112 AromaticContact CD2-CE2 3.81Å; W80-F112 HydrophobicContact CD2-CE2 3.81Å; W80-F112 HydrophobicContact CD2-CZ 4.35Å; W80-F112 AromaticContact CE3-CE2 3.58Å; W80-F112 HydrophobicContact CE3-CE2 3.58Å; W80-F112 AromaticContact CE3-CZ 3.94Å; W80-F112 HydrophobicContact CE3-CZ 3.94Å; W80-F112 HydrophobicContact CG-CE2 4.14Å; W80-F112 HydrophobicContact CZ3-CE2 4.15Å; W80-F112 HydrophobicContact CZ3-CZ 4.03Å; V81-F112 PolarHBondContact O-N 2.98Å; L82-F112 CarbonylContact C-O 3.33Å; L82-F112 WeakPolarHBondContact CA-O 3.48Å; L82-F112 HydrophobicContact CD1-CB 3.67Å; L83-F112 PolarHBondContact N-O 3.11Å; R110-F112 HydrophobicContact CB-CD2 4.34Å; R110-F112 HydrophobicContact CB-CE2 3.55Å; R110-F112 HydrophobicContact CB-CZ 3.9Å
113L95.3Very high91.4Very high0 Ų052.8 Ų52.80%029%0.286CS..EExtended strand (participates in β ladder)trans-125.8121.1177-60.685.3000108.6P23 L24 L25 L26 L83 V86 L93 L96 L111 M115 L125P23-L113 HydrophobicContact CB-CD1 3.66Å; L24-L113 PolarHBondContact O-N 2.85Å; L25-L113 CarbonylContact C-O 3.44Å; L26-L113 PolarHBondContact N-O 2.81Å; L83-L113 HydrophobicContact CB-CG 4.42Å; L83-L113 HydrophobicContact CD1-CD2 4.36Å; L83-L113 HydrophobicContact CD1-CG 4.23Å; L83-L113 CarbonylContact O-C 3.44Å; L83-L113 WeakPolarHBondContact O-CA 3.36Å; V86-L113 HydrophobicContact CG1-CB 4.18Å; V86-L113 HydrophobicContact CG1-CD2 4.23Å; V86-L113 HydrophobicContact CG1-CG 4.4Å; V86-L113 HydrophobicContact CG2-CB 4.04Å; V86-L113 HydrophobicContact CG2-CD2 4.11Å; L93-L113 HydrophobicContact CD2-CD2 4.11Å; L96-L113 HydrophobicContact CD2-CD2 3.86Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CG-CD1 3.81Å; L113-M115 HydrophobicContact CB-CE 3.49Å; L113-M115 VanDerWaalsContact CB-CE 3.49Å; L113-M115 HydrophobicContact CD2-CE 4.21Å; L113-M115 HydrophobicContact CG-CE 4.48Å; L113-L125 HydrophobicContact CD2-CD2 4.29Å
114T94.1Very high91.6Very high3 Ų355 Ų552%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-92.8133.6169.176.20000110.3L26 L82 L83 K84 N85 V86L26-T114 HydrophobicContact CB-CG2 4.4Å; L26-T114 WeakPolarHBondContact O-CA 3.49Å; L82-T114 HydrophobicContact CD1-CG2 3.85Å; L83-T114 PolarHBondContact O-N 2.84Å; K84-T114 VanDerWaalsContact CA-OG1 3.25Å; K84-T114 WeakPolarHBondContact CA-OG1 3.41Å; N85-T114 CarbonylContact C-O 3.5Å; N85-T114 WeakPolarHBondContact CA-O 3.31Å; N85-T114 PolarHBondContact N-O 3.2Å; N85-T114 PolarHBondContact N-OG1 2.82Å; V86-T114 PolarHBondContact N-O 3.32Å
115M92.3Very high91.7Very high2 Ų248.7 Ų48.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-153.4157.6178.263.5-163.378.900113.5L25 L26 C27 S28 V86 H87 L113 L121L25-M115 HydrophobicContact CB-CE 3.85Å; L25-M115 HydrophobicContact CB-SD 4.49Å; L25-M115 HydrophobicContact CD2-CE 3.26Å; L25-M115 HydrophobicContact CD2-SD 3.76Å; L25-M115 HydrophobicContact CG-CE 3.85Å; L26-M115 PolarHBondContact O-N 2.66Å; C27-M115 CarbonylContact C-O 3.57Å; C27-M115 VanDerWaalsContact CA-O 3.24Å; C27-M115 WeakPolarHBondContact CA-O 3.44Å; S28-M115 PolarHBondContact N-O 2.69Å; V86-M115 HydrophobicContact CG2-CB 3.78Å; V86-M115 HydrophobicContact CG2-CE 3.3Å; V86-M115 HydrophobicContact CG2-CG 4.49Å; V86-M115 HydrophobicContact CG2-SD 4.1Å; H87-M115 HydrophobicContact CB-CB 4.11Å; H87-M115 WeakPolarHBondContact ND1-CA 3.48Å; L113-M115 HydrophobicContact CB-CE 3.49Å; L113-M115 VanDerWaalsContact CB-CE 3.49Å; L113-M115 HydrophobicContact CD2-CE 4.21Å; L113-M115 HydrophobicContact CG-CE 4.48Å; M115-L121 HydrophobicContact CG-CD1 4.35Å; M115-L121 HydrophobicContact SD-CD1 3.75Å; M115-L121 HydrophobicContact SD-CD2 3.9Å; M115-L121 HydrophobicContact SD-CG 4.48Å
116E90.2Very high91.6Very high59 Ų5949.9 Ų49.928%0.27627%0.265SS..EExtended strand (participates in β ladder)trans-84.4150161.6-63.9178.3-176.200109.7S28 P30 H87 H118S28-E116 WeakPolarHBondContact O-CA 2.93Å; P30-E116 WeakPolarHBondContact CA-OE1 3.41Å; H87-E116 PolarHBondContact ND1-N 3.23Å; H87-E116 VanDerWaalsContact ND1-N 3.16Å; E116-H118 PolarHBondContact O-N 2.87Å; E116-H118 VanDerWaalsContact O-N 3.11Å
117I86.1Confident91.4Very high118 Ų11855.5 Ų55.561%0.60528%0.283SS*.  trans-67.1111.5173.4-59.2175.4000108.6C27 V133C27-I117 HydrophobicContact CB-CG1 4.03Å; I117-V133 HydrophobicContact CD1-CG1 4.31Å
118H85Confident91.3Very high70 Ų7053.2 Ų53.232%0.32427%0.271SS..  trans-136.5138.7-174.3-172-89.2000111.7H87 E116 K120 L121H87-H118 HydrophobicContact CB-CB 4.41Å; E116-H118 PolarHBondContact O-N 2.87Å; E116-H118 VanDerWaalsContact O-N 3.11Å; H118-K120 VanDerWaalsContact CE1-CG 3.47Å; H118-K120 WeakPolarHBondContact CE1-CG 3.41Å; H118-K120 WeakPolarHBondContact ND1-CB 3.4Å; H118-K120 PolarHBondContact ND1-N 2.84Å; H118-K120 VanDerWaalsContact ND1-N 3.15Å; H118-K120 PolarHBondContact O-N 3.44Å; H118-K120 VanDerWaalsContact O-N 3.16Å; H118-L121 HydrophobicContact CB-CD1 4.42Å; H118-L121 HydrophobicContact CB-CG 4.21Å; H118-L121 WeakPolarHBondContact O-CB 3.44Å; H118-L121 VanDerWaalsContact O-CG 3.25Å; H118-L121 WeakPolarHBondContact O-CG 3.38Å; H118-L121 PolarHBondContact O-N 3.3Å; H118-L121 VanDerWaalsContact O-N 3.11Å
119P83.6Confident91.2Very high127 Ų12749.7 Ų49.783%0.82526%0.256SS*.THydrogen-bonded Turntrans-67-17.7-174.326-36.4000114.6L121P119-L121 VanDerWaalsContact C-N 3.3Å
120K87.8Confident91.2Very high148 Ų14854.8 Ų54.864%0.64328%0.275SS*.THydrogen-bonded Turntrans-85.73.1176-59.1-177.7-171.1173.70113.7P90 H118P90-K120 HydrophobicContact CB-CB 4.07Å; P90-K120 VanDerWaalsContact CB-O 3.27Å; P90-K120 WeakPolarHBondContact CB-O 3.49Å; P90-K120 HydrophobicContact CG-CB 4.32Å; H118-K120 VanDerWaalsContact CE1-CG 3.47Å; H118-K120 WeakPolarHBondContact CE1-CG 3.41Å; H118-K120 WeakPolarHBondContact ND1-CB 3.4Å; H118-K120 PolarHBondContact ND1-N 2.84Å; H118-K120 VanDerWaalsContact ND1-N 3.15Å; H118-K120 PolarHBondContact O-N 3.44Å; H118-K120 VanDerWaalsContact O-N 3.16Å
121L90.3Very high91Very high12 Ų1256.9 Ų56.96%0.06329%0.287CS..SBendtrans-68133.6175.8-69.9173.1000110H87 L93 M115 H118 P119 V123 L126H87-L121 HydrophobicContact CB-CD2 4.13Å; L93-L121 HydrophobicContact CD1-CD2 3.73Å; M115-L121 HydrophobicContact CG-CD1 4.35Å; M115-L121 HydrophobicContact SD-CD1 3.75Å; M115-L121 HydrophobicContact SD-CD2 3.9Å; M115-L121 HydrophobicContact SD-CG 4.48Å; H118-L121 HydrophobicContact CB-CD1 4.42Å; H118-L121 HydrophobicContact CB-CG 4.21Å; H118-L121 WeakPolarHBondContact O-CB 3.44Å; H118-L121 VanDerWaalsContact O-CG 3.25Å; H118-L121 WeakPolarHBondContact O-CG 3.38Å; H118-L121 PolarHBondContact O-N 3.3Å; H118-L121 VanDerWaalsContact O-N 3.11Å; P119-L121 VanDerWaalsContact C-N 3.3Å; L121-V123 PolarHBondContact O-N 3.24Å; L121-L126 HydrophobicContact CB-CD1 4.08Å; L121-L126 HydrophobicContact CB-CG 4.43Å; L121-L126 HydrophobicContact CD1-CD2 4.36Å
122P91.7Very high90.9Very high15 Ų1557.2 Ų57.210%0.09729%0.289CS..  trans-61.9121.4178.4-24.135000111.9L93 V94 N124 L125 L126L93-P122 HydrophobicContact CB-CG 3.67Å; V94-P122 HydrophobicContact CG2-CB 4.11Å; V94-P122 HydrophobicContact CG2-CG 3.62Å; P122-N124 VanDerWaalsContact C-N 3.27Å; P122-N124 PolarHBondContact O-N 2.97Å; P122-L125 HydrophobicContact CB-CB 4.12Å; P122-L125 WeakPolarHBondContact O-CB 3.48Å; P122-L125 PolarHBondContact O-N 3.37Å; P122-L125 VanDerWaalsContact O-N 3.17Å; P122-L126 PolarHBondContact O-N 2.94Å; P122-L126 VanDerWaalsContact O-N 3.16Å
123V89.8Confident90.5Very high84 Ų8460.7 Ų60.751%0.50931%0.31SS..Hα-helixtrans-59.8-38-176.1178.30000111.9L121 L126 R127L121-V123 PolarHBondContact O-N 3.24Å; V123-L126 WeakPolarHBondContact O-CB 3.35Å; V123-L126 PolarHBondContact O-N 3.48Å; V123-R127 HydrophobicContact CG1-CG 4.45Å; V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.46Å
124N90.7Very high89.9Confident78 Ų7861.4 Ų61.442%0.41731%0.313SS..Hα-helixtrans-69.6-35.6179.7-70-15.5000112.7E97 P122 L126 R127 A128E97-N124 HydrophobicContact CG-CB 4.2Å; E97-N124 WeakPolarHBondContact OE1-CB 3.28Å; E97-N124 PolarHBondContact OE1-ND2 3.47Å; E97-N124 VanDerWaalsContact OE1-ND2 3.08Å; E97-N124 WeakPolarHBondContact OE2-CB 3.41Å; P122-N124 VanDerWaalsContact C-N 3.27Å; P122-N124 PolarHBondContact O-N 2.97Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-R127 PolarHBondContact OD1-NH1 3.21Å; N124-A128 VanDerWaalsContact O-CB 3.25Å; N124-A128 WeakPolarHBondContact O-CB 3.22Å; N124-A128 PolarHBondContact O-N 2.95Å
125L92.3Very high89.1Confident2 Ų268 Ų681%0.0134%0.344CS..Hα-helixtrans-62.5-41.5171.2179.465.1000111.1P23 L25 L93 E97 L100 L113 P122 A128 G129P23-L125 HydrophobicContact CG-CD1 4.48Å; L25-L125 HydrophobicContact CD2-CG 4.25Å; L93-L125 HydrophobicContact CB-CD2 3.93Å; L93-L125 HydrophobicContact CD1-CD2 4.13Å; L93-L125 HydrophobicContact CD2-CD2 3.67Å; L93-L125 HydrophobicContact CG-CD2 4.13Å; E97-L125 HydrophobicContact CB-CB 4.43Å; L100-L125 HydrophobicContact CD1-CD1 4.01Å; L113-L125 HydrophobicContact CD2-CD2 4.29Å; P122-L125 HydrophobicContact CB-CB 4.12Å; P122-L125 WeakPolarHBondContact O-CB 3.48Å; P122-L125 PolarHBondContact O-N 3.37Å; P122-L125 VanDerWaalsContact O-N 3.17Å; L125-A128 PolarHBondContact O-N 3.31Å; L125-G129 PolarHBondContact O-N 2.97Å
126L91.9Very high88.3Confident46 Ų4670.2 Ų70.224%0.24136%0.358CS..Hα-helixtrans-62.7-41.3175.2-65.8177000111.8L25 L121 P122 V123 N124 I131L25-L126 HydrophobicContact CD2-CD2 3.84Å; L121-L126 HydrophobicContact CB-CD1 4.08Å; L121-L126 HydrophobicContact CB-CG 4.43Å; L121-L126 HydrophobicContact CD1-CD2 4.36Å; P122-L126 PolarHBondContact O-N 2.94Å; P122-L126 VanDerWaalsContact O-N 3.16Å; V123-L126 WeakPolarHBondContact O-CB 3.35Å; V123-L126 PolarHBondContact O-N 3.48Å; N124-L126 VanDerWaalsContact C-N 3.31Å; L126-I131 HydrophobicContact CB-CD1 4.05Å; L126-I131 HydrophobicContact CD2-CD1 4.06Å
127R89.8Confident87.9Confident193 Ų19371.1 Ų71.173%0.72837%0.369SS*.Hα-helixtrans-68.7-36.5176.3-72.2174.7-178.9156.5-3.4113.1V123 N124 G129V123-R127 HydrophobicContact CG1-CG 4.45Å; V123-R127 WeakPolarHBondContact O-CG 3.38Å; V123-R127 PolarHBondContact O-N 3.46Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-R127 PolarHBondContact OD1-NH1 3.21Å; R127-G129 VanDerWaalsContact C-N 3.32Å
128A89.8Confident87.8Confident41 Ų4169.8 Ų69.834%0.33937%0.368SS..Hα-helixtrans-75.3-21.1-177.200000113.2N124 L125N124-A128 VanDerWaalsContact O-CB 3.25Å; N124-A128 WeakPolarHBondContact O-CB 3.22Å; N124-A128 PolarHBondContact O-N 2.95Å; L125-A128 PolarHBondContact O-N 3.31Å
129G91.7Very high88.1Confident13 Ų1366.9 Ų66.913%0.13436%0.357CS..SBendtrans-110.8164.8-176.100000115.4P23 L25 L125 R127 I131P23-G129 CarbonylContact O-C 3.47Å; P23-G129 WeakPolarHBondContact O-CA 3.22Å; L25-G129 VanDerWaalsContact CD1-CA 3.45Å; L125-G129 PolarHBondContact O-N 2.97Å; R127-G129 VanDerWaalsContact C-N 3.32Å; G129-I131 PolarHBondContact O-N 3.16Å
130R94.1Very high88.5Confident109 Ų10961 Ų6141%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-84.7109.8173-178.765.3158152.7-4.7108.7I13 E17 V18 V22 P23 L25I13-R130 HydrophobicContact CG2-CG 4.49Å; E17-R130 IonicContact OE2-CZ 3.81Å; E17-R130 IonicContact OE2-NE 3.98Å; E17-R130 IonicContact OE2-NH2 2.83Å; E17-R130 PolarHBondContact OE2-NH2 3.38Å; V18-R130 HydrophobicContact CG2-CB 3.99Å; V18-R130 HydrophobicContact CG2-CG 3.88Å; V22-R130 HydrophobicContact CG1-CB 4.1Å; P23-R130 PolarHBondContact O-N 3.41Å; L25-R130 PolarHBondContact N-O 2.99Å
131I93Very high88.8Confident72 Ų7255.4 Ų55.437%0.36930%0.295SS..EExtended strand (participates in β ladder)trans-86.4125.9178.3-57.6167.6000109.7L25 C27 L126 G129 V133L25-I131 HydrophobicContact CB-CG1 4.26Å; L25-I131 HydrophobicContact CD1-CG1 4.03Å; C27-I131 HydrophobicContact CB-CG2 4.3Å; L126-I131 HydrophobicContact CB-CD1 4.05Å; L126-I131 HydrophobicContact CD2-CD1 4.06Å; G129-I131 PolarHBondContact O-N 3.16Å; I131-V133 HydrophobicContact CG2-CG2 4.02Å
132I92.3Very high88.9Confident9 Ų956 Ų565%0.04630%0.301CS..EExtended strand (participates in β ladder)trans-115.8120.3170-62.5175.8000107.2M8 L10 I13 L24 L25 C27 Y134M8-I132 HydrophobicContact CE-CD1 4.37Å; M8-I132 HydrophobicContact CE-CG2 3.53Å; M8-I132 HydrophobicContact SD-CB 4.43Å; M8-I132 HydrophobicContact SD-CD1 4.28Å; M8-I132 HydrophobicContact SD-CG1 4.36Å; M8-I132 HydrophobicContact SD-CG2 3.29Å; M8-I132 WeakPolarHBondContact SD-CG2 3.17Å; L10-I132 HydrophobicContact CD1-CD1 3.78Å; I13-I132 HydrophobicContact CD1-CD1 4Å; I13-I132 HydrophobicContact CG2-CD1 4.29Å; L24-I132 HydrophobicContact CD2-CD1 4.25Å; L25-I132 PolarHBondContact O-N 3.49Å; C27-I132 PolarHBondContact N-O 3.34Å; I132-Y134 HydrophobicContact CB-CE2 4.16Å; I132-Y134 HydrophobicContact CG2-CD2 3.86Å; I132-Y134 HydrophobicContact CG2-CE1 4.5Å; I132-Y134 HydrophobicContact CG2-CE2 3.36Å
133V89Confident88.9Confident74 Ų7455.4 Ų55.445%0.44830%0.297SS..EExtended strand (participates in β ladder)trans-97.7118.3177.3-173.80000109C27 I117 I131 E135C27-V133 HydrophobicContact CB-CG2 4.38Å; C27-V133 CarbonylContact O-C 3.6Å; C27-V133 WeakPolarHBondContact O-CA 3.48Å; I117-V133 HydrophobicContact CD1-CG1 4.31Å; I131-V133 HydrophobicContact CG2-CG2 4.02Å; V133-E135 HydrophobicContact CG1-CG 4.12Å
134Y83.2Confident89.1Confident14 Ų1451.4 Ų51.46%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-97.7117172.8-70.2-88.4000109.9M8 L26 C27 Y32 A34 I132M8-Y134 HydrophobicContact CE-CE1 3.59Å; M8-Y134 HydrophobicContact CE-CE2 4.35Å; M8-Y134 VanDerWaalsContact CE-CZ 3.44Å; M8-Y134 WeakPolarHBondContact CE-OH 3.25Å; L26-Y134 HydrophobicContact CB-CD2 4.29Å; L26-Y134 HydrophobicContact CB-CE2 3.98Å; L26-Y134 HydrophobicContact CD2-CE2 3.66Å; L26-Y134 HydrophobicContact CG-CE2 3.89Å; C27-Y134 PolarHBondContact O-N 3.03Å; Y32-Y134 HydrophobicContact CE1-CD1 4.16Å; Y32-Y134 AromaticContact CE1-CG 3.96Å; Y32-Y134 HydrophobicContact CE1-CG 3.96Å; A34-Y134 HydrophobicContact CB-CD2 3.8Å; A34-Y134 HydrophobicContact CB-CE2 3.96Å; A34-Y134 HydrophobicContact CB-CG 4.21Å; I132-Y134 HydrophobicContact CB-CE2 4.16Å; I132-Y134 HydrophobicContact CG2-CD2 3.86Å; I132-Y134 HydrophobicContact CG2-CE1 4.5Å; I132-Y134 HydrophobicContact CG2-CE2 3.36Å
135E77.4Confident89.2Confident143 Ų14351.2 Ų51.267%0.66827%0.27SS*.  trans-114.9137.3169.8-61.2-175.8156.700108.5V133V133-E135 HydrophobicContact CG1-CG 4.12Å
136P75.1Confident89.1Confident48 Ų4853.2 Ų53.231%0.31228%0.278SS..PPolyproline II helixtrans-60.5139169.626.1-32.4000109V29V29-P136 HydrophobicContact CG2-CG 4.29Å
137P81.6Confident89.1Confident78 Ų7851.1 Ų51.151%0.50627%0.267SS..PPolyproline II helixtrans-58.7126.7176.223.7-33.3000109.4A142P137-A142 HydrophobicContact CB-CB 3.77Å; P137-A142 HydrophobicContact CG-CB 3.81Å
138P84.6Confident89.3Confident89 Ų8942.1 Ų42.158%0.57823%0.233SC*.PPolyproline II helixtrans-72.4162.3179.431.4-35.8000110.9
139G89.9Confident89.2Confident10 Ų1044.5 Ų44.510%0.10325%0.247CC..SBendtrans105.2151.2174.600000113.6K141 A142 N143 E179 Q304G139-K141 VanDerWaalsContact C-N 3.31Å; G139-K141 PolarHBondContact O-N 3.46Å; G139-A142 PolarHBondContact O-N 2.91Å; G139-N143 PolarHBondContact O-N 3.34Å; G139-N143 VanDerWaalsContact O-N 3.09Å; G139-N143 PolarHBondContact O-ND2 3.23Å; G139-E179 WeakPolarHBondContact CA-OE2 3.23Å; G139-E179 PolarHBondContact N-OE1 2.98Å; G139-E179 PolarHBondContact N-OE2 3.17Å; G139-Q304 VanDerWaalsContact CA-OE1 3.26Å
140I93.1Very high89Confident3 Ų344.9 Ų44.92%0.01525%0.247CC..Hα-helixtrans-58.2-44.3179.2-70.9-75.9000110.6A142 N143 L144 W172 A175 V176 E179 I300 Q304 W308 L309I140-A142 PolarHBondContact O-N 3.23Å; I140-N143 PolarHBondContact O-N 2.95Å; I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.14Å; I140-L144 WeakPolarHBondContact O-CB 3.17Å; I140-L144 VanDerWaalsContact O-CG 3.28Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 2.91Å; I140-W172 HydrophobicContact CG2-CE3 4.17Å; I140-W172 HydrophobicContact CG2-CH2 4.02Å; I140-W172 HydrophobicContact CG2-CZ3 3.63Å; I140-A175 HydrophobicContact CD1-CB 3.86Å; I140-V176 HydrophobicContact CD1-CG2 3.94Å; I140-E179 HydrophobicContact CD1-CB 4.49Å; I140-E179 HydrophobicContact CD1-CG 4.24Å; I140-E179 HydrophobicContact CG1-CG 4.43Å; I140-I300 HydrophobicContact CG2-CD1 4.43Å; I140-Q304 HydrophobicContact CB-CG 4.3Å; I140-W308 HydrophobicContact CB-CE3 4.47Å; I140-W308 HydrophobicContact CG2-CE3 4.33Å; I140-L309 HydrophobicContact CD1-CD2 3.68Å; I140-L309 HydrophobicContact CG1-CD2 4.07Å
141K94.2Very high88.8Confident31 Ų3140 Ų4014%0.13523%0.229CC..Hα-helixtrans-56.6-51.8-179.9179.4173179.3175.20111.7G139 N143 L144 M145 V297 D298 I300 E302G139-K141 VanDerWaalsContact C-N 3.31Å; G139-K141 PolarHBondContact O-N 3.46Å; K141-N143 VanDerWaalsContact C-N 3.35Å; K141-N143 PolarHBondContact O-N 3.29Å; K141-L144 PolarHBondContact O-N 3.36Å; K141-M145 WeakPolarHBondContact O-CG 3.43Å; K141-M145 PolarHBondContact O-N 2.82Å; K141-V297 WeakPolarHBondContact CE-O 3.47Å; K141-V297 HydrophobicContact CG-CG1 4.27Å; K141-V297 WeakPolarHBondContact CG-O 3.4Å; K141-D298 PolarHBondContact NZ-O 3.34Å; K141-D298 IonicContact NZ-OD1 2.71Å; K141-D298 PolarHBondContact NZ-OD1 2.99Å; K141-I300 HydrophobicContact CB-CD1 3.79Å; K141-I300 HydrophobicContact CB-CG1 4.19Å; K141-I300 HydrophobicContact CD-CG1 4.34Å; K141-I300 HydrophobicContact CG-CD1 4.32Å; K141-I300 HydrophobicContact CG-CG1 4.26Å; K141-E302 IonicContact NZ-OE2 2.72Å; K141-E302 PolarHBondContact NZ-OE2 3.18Å
142A90.8Very high88.6Confident25 Ų2539.7 Ų39.721%0.20723%0.231CC..Hα-helixtrans-65.5-38.3-178.500000112.3P137 G139 I140 R146P137-A142 HydrophobicContact CB-CB 3.77Å; P137-A142 HydrophobicContact CG-CB 3.81Å; G139-A142 PolarHBondContact O-N 2.91Å; I140-A142 PolarHBondContact O-N 3.23Å; A142-R146 WeakPolarHBondContact O-CB 3.27Å; A142-R146 PolarHBondContact O-N 3.42Å
143N92Very high88.5Confident2 Ų242.1 Ų42.11%0.01125%0.248CC..Hα-helixtrans-64.4-43174.9-83-91.3000112.5G139 I140 K141 R146 T147 A175 Q178 E179G139-N143 PolarHBondContact O-N 3.34Å; G139-N143 VanDerWaalsContact O-N 3.09Å; G139-N143 PolarHBondContact O-ND2 3.23Å; I140-N143 PolarHBondContact O-N 2.95Å; K141-N143 VanDerWaalsContact C-N 3.35Å; K141-N143 PolarHBondContact O-N 3.29Å; N143-R146 PolarHBondContact O-N 2.92Å; N143-R146 PolarHBondContact OD1-NH2 2.7Å; N143-T147 WeakPolarHBondContact O-CB 3.34Å; N143-T147 PolarHBondContact O-N 2.87Å; N143-T147 PolarHBondContact O-OG1 3.28Å; N143-A175 HydrophobicContact CB-CB 3.67Å; N143-Q178 PolarHBondContact OD1-OE1 3.01Å; N143-E179 VanDerWaalsContact ND2-CD 3.35Å; N143-E179 PolarHBondContact ND2-OE1 3.47Å
144L94.7Very high88.5Confident0 Ų044 Ų440%026%0.26CS..Hα-helixtrans-63.8-48.5176.6-73.2171.1000111I140 K141 R146 T147 F148 A171 W172 A175 W296 V297 I300I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.14Å; I140-L144 WeakPolarHBondContact O-CB 3.17Å; I140-L144 VanDerWaalsContact O-CG 3.28Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 2.91Å; K141-L144 PolarHBondContact O-N 3.36Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.29Å; L144-T147 WeakPolarHBondContact O-CB 3.46Å; L144-T147 PolarHBondContact O-N 3.35Å; L144-T147 VanDerWaalsContact O-N 3.12Å; L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.24Å; L144-A171 HydrophobicContact CD2-CB 3.83Å; L144-A171 WeakPolarHBondContact CD2-O 3.28Å; L144-W172 HydrophobicContact CD1-CE3 3.9Å; L144-W172 HydrophobicContact CD1-CZ3 4.06Å; L144-A175 HydrophobicContact CD2-CB 4.18Å; L144-A175 HydrophobicContact CG-CB 4.14Å; L144-W296 HydrophobicContact CD1-CZ3 4.4Å; L144-V297 HydrophobicContact CB-CG1 3.63Å; L144-V297 HydrophobicContact CB-CG2 3.95Å; L144-V297 HydrophobicContact CD1-CG1 4.29Å; L144-V297 HydrophobicContact CD1-CG2 3.98Å; L144-I300 HydrophobicContact CD1-CD1 4.39Å
145M92.8Very high88.8Confident73 Ų7347.2 Ų47.236%0.3627%0.274SS..Hα-helixtrans-57.6-45177-70.9-60.1-75.900111.8K141 F148 S149 I294 V297K141-M145 WeakPolarHBondContact O-CG 3.43Å; K141-M145 PolarHBondContact O-N 2.82Å; M145-F148 PolarHBondContact O-N 3.21Å; M145-S149 PolarHBondContact O-N 3.23Å; M145-S149 VanDerWaalsContact O-N 3.14Å; M145-I294 HydrophobicContact CE-CG2 4.23Å; M145-I294 HydrophobicContact SD-CG2 4.2Å; M145-V297 HydrophobicContact CG-CG1 3.65Å; M145-V297 HydrophobicContact SD-CB 4.1Å; M145-V297 HydrophobicContact SD-CG1 3.61Å
146R89.8Confident89.4Confident45 Ų4540.4 Ų40.417%0.1724%0.242CC..Hα-helixtrans-58.5-49.9173.9-177.7171.367-118.14.5110.9A142 N143 L144 F148 S149 T150A142-R146 WeakPolarHBondContact O-CB 3.27Å; A142-R146 PolarHBondContact O-N 3.42Å; N143-R146 PolarHBondContact O-N 2.92Å; N143-R146 PolarHBondContact OD1-NH2 2.7Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.29Å; R146-F148 VanDerWaalsContact C-N 3.35Å; R146-F148 PolarHBondContact O-N 3.39Å; R146-S149 WeakPolarHBondContact O-CA 3.44Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 2.9Å; R146-S149 PolarHBondContact O-OG 3.23Å; R146-T150 PolarHBondContact O-N 3.22Å; R146-T150 PolarHBondContact O-OG1 3.18Å
147T92.3Very high90.1Very high2 Ų241.5 Ų41.51%0.01225%0.25CS..Hα-helixtrans-57.5-43.9-179.4-60.70000112.6N143 L144 S149 T150 F167 A171 N174 L199N143-T147 WeakPolarHBondContact O-CB 3.34Å; N143-T147 PolarHBondContact O-N 2.87Å; N143-T147 PolarHBondContact O-OG1 3.28Å; L144-T147 WeakPolarHBondContact O-CB 3.46Å; L144-T147 PolarHBondContact O-N 3.35Å; L144-T147 VanDerWaalsContact O-N 3.12Å; T147-S149 VanDerWaalsContact C-N 3.27Å; T147-S149 PolarHBondContact O-N 3.43Å; T147-T150 PolarHBondContact O-N 2.73Å; T147-F167 HydrophobicContact CG2-CZ 3.89Å; T147-A171 HydrophobicContact CG2-CB 3.46Å; T147-A171 VanDerWaalsContact CG2-CB 3.46Å; T147-N174 PolarHBondContact OG1-ND2 3.25Å; T147-L199 HydrophobicContact CG2-CD1 3.84Å; T147-L199 HydrophobicContact CG2-CD2 3.65Å; T147-L199 HydrophobicContact CG2-CG 4.37Å
148F93.1Very high90.5Very high4 Ų442 Ų422%0.01824%0.244CC..Hα-helixtrans-66.9-25.5175.8-85.3-77.5000113.6L144 M145 R146 F167 F168 A171 R290 F293 I294 V297L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.24Å; M145-F148 PolarHBondContact O-N 3.21Å; R146-F148 VanDerWaalsContact C-N 3.35Å; R146-F148 PolarHBondContact O-N 3.39Å; F148-F167 HydrophobicContact CD1-CD1 4.04Å; F148-F167 AromaticContact CD1-CE1 3.64Å; F148-F167 HydrophobicContact CD1-CE1 3.64Å; F148-F167 AromaticContact CE1-CD1 3.63Å; F148-F167 HydrophobicContact CE1-CD1 3.63Å; F148-F167 AromaticContact CE1-CE1 3.71Å; F148-F167 HydrophobicContact CE1-CE1 3.71Å; F148-F167 HydrophobicContact CG-CE1 4.19Å; F148-F167 HydrophobicContact CZ-CD1 4.18Å; F148-F167 HydrophobicContact CZ-CE1 4.31Å; F148-F168 HydrophobicContact CE2-CD2 4.18Å; F148-F168 HydrophobicContact CZ-CB 4.32Å; F148-F168 HydrophobicContact CZ-CD2 4.08Å; F148-A171 HydrophobicContact CE2-CB 4.38Å; F148-R290 HydrophobicContact CD1-CG 4.17Å; F148-R290 HydrophobicContact CE1-CG 4.27Å; F148-R290 PolarHBondContact O-NH2 3.19Å; F148-F293 HydrophobicContact CE1-CB 4.15Å; F148-F293 HydrophobicContact CE2-CB 4.45Å; F148-F293 HydrophobicContact CZ-CB 3.7Å; F148-F293 HydrophobicContact CZ-CG 4.44Å; F148-I294 HydrophobicContact CB-CD1 4.36Å; F148-I294 HydrophobicContact CB-CG1 4.16Å; F148-I294 HydrophobicContact CD1-CD1 4.33Å; F148-I294 HydrophobicContact CD1-CG1 3.96Å; F148-I294 HydrophobicContact CD2-CG1 4.45Å; F148-I294 HydrophobicContact CG-CD1 4.5Å; F148-I294 HydrophobicContact CG-CG1 3.95Å; F148-V297 HydrophobicContact CE2-CG2 4.22Å
149S89.4Confident90.7Very high91 Ų9140.1 Ų40.164%0.63624%0.237SC*.Hα-helixtrans-80.4-28.7174.476.20000113.2M145 R146 T147M145-S149 PolarHBondContact O-N 3.23Å; M145-S149 VanDerWaalsContact O-N 3.14Å; R146-S149 WeakPolarHBondContact O-CA 3.44Å; R146-S149 WeakPolarHBondContact O-CB 3.43Å; R146-S149 PolarHBondContact O-N 2.9Å; R146-S149 PolarHBondContact O-OG 3.23Å; T147-S149 VanDerWaalsContact C-N 3.27Å; T147-S149 PolarHBondContact O-N 3.43Å
150T87Confident90.8Very high20 Ų2039.7 Ų39.712%0.12323%0.232CC..Hα-helixtrans-71-37.6-178.5-54.70000112.7R146 T147 L199R146-T150 PolarHBondContact O-N 3.22Å; R146-T150 PolarHBondContact O-OG1 3.18Å; T147-T150 PolarHBondContact O-N 2.73Å; T150-L199 HydrophobicContact CG2-CD2 4.46Å
151I88.9Confident90.8Very high7 Ų742.6 Ų42.64%0.03625%0.25CC..SBendtrans-97.7126.3-177-57.3-56.6000110.6K155 I156 F167 R200 W203I151-K155 HydrophobicContact CG2-CB 4.31Å; I151-I156 HydrophobicContact CB-CD1 4.1Å; I151-I156 HydrophobicContact CG2-CD1 3.89Å; I151-I156 HydrophobicContact CG2-CG1 3.82Å; I151-F167 HydrophobicContact CB-CE2 4Å; I151-F167 HydrophobicContact CB-CZ 3.72Å; I151-F167 HydrophobicContact CG1-CE2 3.6Å; I151-F167 HydrophobicContact CG1-CZ 3.6Å; I151-F167 HydrophobicContact CG2-CE2 4.25Å; I151-F167 HydrophobicContact CG2-CZ 4.32Å; I151-R200 HydrophobicContact CD1-CG 3.94Å; I151-W203 HydrophobicContact CG2-CG 4.44Å
152P89.5Confident90.7Very high65 Ų6542.7 Ų42.742%0.42225%0.251SS..  trans-57.9138.9-179.9-26.734.8000113.2T154 K155P152-T154 PolarHBondContact O-N 3.27Å; P152-T154 VanDerWaalsContact O-N 3.12Å; P152-K155 PolarHBondContact O-N 3.32Å; P152-K155 VanDerWaalsContact O-N 3.11Å
153P89.6Confident90.9Very high60 Ų6041.5 Ų41.539%0.3924%0.241SC..Hα-helixtrans-53.9-34.5177.5-8.95.9000113.4K155 I156 C157 R290P153-K155 VanDerWaalsContact C-N 3.28Å; P153-K155 PolarHBondContact O-N 2.89Å; P153-I156 PolarHBondContact O-N 3.36Å; P153-I156 VanDerWaalsContact O-N 3.11Å; P153-C157 WeakPolarHBondContact O-CB 3.38Å; P153-C157 PolarHBondContact O-N 3.5Å; P153-C157 PolarHBondContact O-SG 3.16Å; P153-C157 VanDerWaalsContact O-SG 3.37Å; P153-R290 VanDerWaalsContact CB-NH1 3.33Å; P153-R290 VanDerWaalsContact CG-NH1 3.31Å
154T89.7Confident91Very high115 Ų11541.8 Ų41.871%0.70624%0.243SC*.Hα-helixtrans-61.3-32.6-178.651.20000113.3P152P152-T154 PolarHBondContact O-N 3.27Å; P152-T154 VanDerWaalsContact O-N 3.12Å
155K89.1Confident91Very high81 Ų8142.6 Ų42.635%0.35225%0.246SC..Hα-helixtrans-74.8-35.8174.8-73.7-166.7165.6-168.30112I151 P152 P153 R163 D204I151-K155 HydrophobicContact CG2-CB 4.31Å; P152-K155 PolarHBondContact O-N 3.32Å; P152-K155 VanDerWaalsContact O-N 3.11Å; P153-K155 VanDerWaalsContact C-N 3.28Å; P153-K155 PolarHBondContact O-N 2.89Å; K155-R163 VanDerWaalsContact O-CD 3.28Å; K155-R163 WeakPolarHBondContact O-CD 3.36Å; K155-D204 IonicContact NZ-OD1 3.49Å; K155-D204 PolarHBondContact NZ-OD1 3.44Å; K155-D204 IonicContact NZ-OD2 2.86Å
156I89.8Confident91.2Very high0 Ų039.1 Ų39.10%023%0.229CC..Hα-helixtrans-79.7-40.2-175-59.2163.2000111.2I151 P153 K158 P164 F167 R290I151-I156 HydrophobicContact CB-CD1 4.1Å; I151-I156 HydrophobicContact CG2-CD1 3.89Å; I151-I156 HydrophobicContact CG2-CG1 3.82Å; P153-I156 PolarHBondContact O-N 3.36Å; P153-I156 VanDerWaalsContact O-N 3.11Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.96Å; I156-P164 HydrophobicContact CG2-CB 4.02Å; I156-P164 HydrophobicContact CG2-CG 4.25Å; I156-P164 WeakPolarHBondContact O-CG 3.46Å; I156-F167 HydrophobicContact CD1-CD1 3.58Å; I156-F167 HydrophobicContact CD1-CE1 3.44Å; I156-F167 VanDerWaalsContact CD1-CE1 3.44Å; I156-F167 HydrophobicContact CD1-CG 4.25Å; I156-F167 HydrophobicContact CD1-CZ 4.02Å; I156-F167 HydrophobicContact CG1-CD1 3.86Å; I156-F167 HydrophobicContact CG1-CD2 4.49Å; I156-F167 HydrophobicContact CG1-CE1 4.14Å; I156-F167 HydrophobicContact CG1-CG 4.04Å; I156-F167 HydrophobicContact CG2-CB 4.25Å; I156-F167 HydrophobicContact CG2-CD1 4.11Å; I156-F167 HydrophobicContact CG2-CG 4.38Å; I156-R290 HydrophobicContact CG2-CB 4.2Å; I156-R290 HydrophobicContact CG2-CG 4.28Å
157C89.7Confident91.5Very high70 Ų7037 Ų3747%0.47322%0.221SC..SBendtrans-85.23.9-173.5-60.90000114.3P153P153-C157 WeakPolarHBondContact O-CB 3.38Å; P153-C157 PolarHBondContact O-N 3.5Å; P153-C157 PolarHBondContact O-SG 3.16Å; P153-C157 VanDerWaalsContact O-SG 3.37Å
158K89.9Confident91.7Very high88 Ų8836.9 Ų36.938%0.38322%0.22SC..SBendtrans-68.8145.9173.6-171.9-168.7175.2-168.20110I156 R163 D211I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.96Å; K158-R163 VanDerWaalsContact O-CD 3.3Å; K158-R163 WeakPolarHBondContact O-CD 3.47Å; K158-R163 PolarHBondContact O-NE 3.1Å; K158-R163 VanDerWaalsContact O-NE 3.11Å; K158-D211 IonicContact NZ-OD1 3.93Å; K158-D211 PolarHBondContact NZ-OD1 3.26Å; K158-D211 IonicContact NZ-OD2 3.55Å; K158-D211 PolarHBondContact NZ-OD2 3.46Å
159A88.7Confident91.9Very high51 Ų5136.7 Ų36.742%0.42122%0.22SC..SBendtrans-51.2145167.500000110.8R163A159-R163 PolarHBondContact O-NE 3.12Å; A159-R163 VanDerWaalsContact O-NE 3.11Å; A159-R163 PolarHBondContact O-NH2 3.16Å
160P93.3Very high92.3Very high1 Ų132.4 Ų32.41%0.00619%0.189CC..SBendcis-84.9164.81036.9-38.4000113.5E162 R163 V210 A214 A218 L220P160-E162 WeakPolarHBondContact CB-OE2 3.37Å; P160-E162 PolarHBondContact O-N 3.29Å; P160-R163 WeakPolarHBondContact O-CB 3.25Å; P160-R163 PolarHBondContact O-N 3.45Å; P160-V210 VanDerWaalsContact CD-CG1 3.48Å; P160-V210 HydrophobicContact CG-CG1 3.63Å; P160-A214 HydrophobicContact CB-CB 4.43Å; P160-A214 HydrophobicContact CG-CB 4.15Å; P160-A218 CarbonylContact C-O 3.54Å; P160-A218 VanDerWaalsContact CA-O 3.23Å; P160-A218 WeakPolarHBondContact CA-O 3.37Å; P160-L220 HydrophobicContact CB-CB 3.81Å; P160-L220 HydrophobicContact CG-CB 3.67Å; P160-L220 HydrophobicContact CG-CD2 4.29Å
161T91.8Very high92.8Very high63 Ų6331.4 Ų31.439%0.38718%0.183SC..THydrogen-bonded Turntrans-52.3-27.3-179.9-570000113.7P164 A218 N219 V288T161-P164 WeakPolarHBondContact O-CD 3.45Å; T161-A218 PolarHBondContact N-O 2.96Å; T161-A218 PolarHBondContact OG1-O 3.31Å; T161-A218 VanDerWaalsContact OG1-O 3.11Å; T161-N219 PolarHBondContact OG1-OD1 3.19Å; T161-V288 HydrophobicContact CG2-CG1 3.22Å
162E93.1Very high93.1Very high34 Ų3431.4 Ų31.416%0.15918%0.183CC..THydrogen-bonded Turntrans-78.6-13.8179.4-64.981.3-173.700114P160 R165 L166 L220 F265P160-E162 WeakPolarHBondContact CB-OE2 3.37Å; P160-E162 PolarHBondContact O-N 3.29Å; E162-R165 WeakPolarHBondContact O-CB 3.38Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-L166 PolarHBondContact O-N 2.75Å; E162-L220 WeakPolarHBondContact CG-O 3.35Å; E162-L220 PolarHBondContact OE2-N 3.31Å; E162-F265 HydrophobicContact CB-CE1 3.58Å; E162-F265 HydrophobicContact CB-CZ 3.92Å; E162-F265 HydrophobicContact CG-CD1 4.34Å; E162-F265 HydrophobicContact CG-CE1 3.64Å; E162-F265 HydrophobicContact CG-CZ 4.3Å
163R94.6Very high93.5Very high0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-59-46.2-174.4-176.3-177.4-54.6-89.9-1113.8K155 K158 A159 P160 R165 L166 F167 W203 D207 D211K155-R163 VanDerWaalsContact O-CD 3.28Å; K155-R163 WeakPolarHBondContact O-CD 3.36Å; K158-R163 VanDerWaalsContact O-CD 3.3Å; K158-R163 WeakPolarHBondContact O-CD 3.47Å; K158-R163 PolarHBondContact O-NE 3.1Å; K158-R163 VanDerWaalsContact O-NE 3.11Å; A159-R163 PolarHBondContact O-NE 3.12Å; A159-R163 VanDerWaalsContact O-NE 3.11Å; A159-R163 PolarHBondContact O-NH2 3.16Å; P160-R163 WeakPolarHBondContact O-CB 3.25Å; P160-R163 PolarHBondContact O-N 3.45Å; R163-R165 PolarHBondContact O-N 2.96Å; R163-L166 PolarHBondContact O-N 3Å; R163-F167 PolarHBondContact O-N 2.79Å; R163-W203 HydrophobicContact CG-CH2 3.6Å; R163-W203 HydrophobicContact CG-CZ2 4.03Å; R163-D207 IonicContact CZ-OD1 3.57Å; R163-D207 PolarHBondContact NH1-O 3.49Å; R163-D207 IonicContact NH1-OD1 2.65Å; R163-D207 PolarHBondContact NH1-OD1 3.1Å; R163-D211 IonicContact CZ-OD1 3.26Å; R163-D211 IonicContact NH1-OD1 3.2Å; R163-D211 IonicContact NH2-OD1 3.22Å; R163-D211 PolarHBondContact NH2-OD1 3.01Å
164P94.9Very high93.8Very high8 Ų825.5 Ų25.55%0.05214%0.144CC..Hα-helixtrans-60-33.7177.2-26.437.3000113.4I156 T161 F167 F168 V288 F293I156-P164 HydrophobicContact CG2-CB 4.02Å; I156-P164 HydrophobicContact CG2-CG 4.25Å; I156-P164 WeakPolarHBondContact O-CG 3.46Å; T161-P164 WeakPolarHBondContact O-CD 3.45Å; P164-F167 PolarHBondContact O-N 3.45Å; P164-F168 PolarHBondContact O-N 2.79Å; P164-V288 WeakPolarHBondContact CG-O 3.25Å; P164-F293 HydrophobicContact CB-CD2 4.14Å; P164-F293 HydrophobicContact CB-CE2 3.79Å
165R95Very high94.1Very high16 Ų1620 Ų206%0.0611%0.111CC..Hα-helixtrans-68.8-42.7176.4-178.3171.4-80.7-106.31.7111.7E162 R163 F167 F168 L169 S264 F265 P285 F293E162-R165 WeakPolarHBondContact O-CB 3.38Å; E162-R165 PolarHBondContact O-N 3.21Å; R163-R165 PolarHBondContact O-N 2.96Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 PolarHBondContact O-N 3.49Å; R165-F168 WeakPolarHBondContact O-CB 3.36Å; R165-F168 PolarHBondContact O-N 3.15Å; R165-L169 WeakPolarHBondContact O-CG 3.44Å; R165-L169 PolarHBondContact O-N 3.16Å; R165-S264 PolarHBondContact NH1-O 3.11Å; R165-F265 HydrophobicContact CB-CE1 4.1Å; R165-F265 HydrophobicContact CB-CZ 4.49Å; R165-F265 VanDerWaalsContact CD-CE1 3.42Å; R165-F265 HydrophobicContact CG-CD1 4.36Å; R165-F265 HydrophobicContact CG-CE1 4.01Å; R165-F265 HydrophobicContact CG-CZ 4.32Å; R165-P285 PolarHBondContact NH2-O 3.27Å; R165-F293 HydrophobicContact CB-CZ 3.85Å; R165-F293 HydrophobicContact CG-CZ 4.35Å
166L95.9Very high94.4Very high1 Ų116.2 Ų16.21%0.00510%0.095CC..Hα-helixtrans-61-40.8174.1-68.3172.1000111.6E162 R163 L169 L170 I206 V210 V225 W227 F265E162-L166 PolarHBondContact O-N 2.75Å; R163-L166 PolarHBondContact O-N 3Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-L170 PolarHBondContact O-N 3.03Å; L166-L170 VanDerWaalsContact O-N 3.1Å; L166-I206 HydrophobicContact CB-CG2 4.36Å; L166-V210 HydrophobicContact CD1-CG2 3.41Å; L166-V210 VanDerWaalsContact CD1-CG2 3.41Å; L166-V225 HydrophobicContact CD2-CG1 4.36Å; L166-W227 HydrophobicContact CD2-CH2 3.79Å; L166-W227 HydrophobicContact CD2-CZ3 3.98Å; L166-F265 HydrophobicContact CD2-CE2 4.01Å; L166-F265 HydrophobicContact CD2-CZ 3.95Å; L166-F265 HydrophobicContact CG-CZ 4.05Å
167F96.6Very high94.7Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-62.4-42.5173.7-177-112.9000112.1T147 F148 I151 I156 R163 P164 R165 L169 L170 A171 W203T147-F167 HydrophobicContact CG2-CZ 3.89Å; F148-F167 HydrophobicContact CD1-CD1 4.04Å; F148-F167 AromaticContact CD1-CE1 3.64Å; F148-F167 HydrophobicContact CD1-CE1 3.64Å; F148-F167 AromaticContact CE1-CD1 3.63Å; F148-F167 HydrophobicContact CE1-CD1 3.63Å; F148-F167 AromaticContact CE1-CE1 3.71Å; F148-F167 HydrophobicContact CE1-CE1 3.71Å; F148-F167 HydrophobicContact CG-CE1 4.19Å; F148-F167 HydrophobicContact CZ-CD1 4.18Å; F148-F167 HydrophobicContact CZ-CE1 4.31Å; I151-F167 HydrophobicContact CB-CE2 4Å; I151-F167 HydrophobicContact CB-CZ 3.72Å; I151-F167 HydrophobicContact CG1-CE2 3.6Å; I151-F167 HydrophobicContact CG1-CZ 3.6Å; I151-F167 HydrophobicContact CG2-CE2 4.25Å; I151-F167 HydrophobicContact CG2-CZ 4.32Å; I156-F167 HydrophobicContact CD1-CD1 3.58Å; I156-F167 HydrophobicContact CD1-CE1 3.44Å; I156-F167 VanDerWaalsContact CD1-CE1 3.44Å; I156-F167 HydrophobicContact CD1-CG 4.25Å; I156-F167 HydrophobicContact CD1-CZ 4.02Å; I156-F167 HydrophobicContact CG1-CD1 3.86Å; I156-F167 HydrophobicContact CG1-CD2 4.49Å; I156-F167 HydrophobicContact CG1-CE1 4.14Å; I156-F167 HydrophobicContact CG1-CG 4.04Å; I156-F167 HydrophobicContact CG2-CB 4.25Å; I156-F167 HydrophobicContact CG2-CD1 4.11Å; I156-F167 HydrophobicContact CG2-CG 4.38Å; R163-F167 PolarHBondContact O-N 2.79Å; P164-F167 PolarHBondContact O-N 3.45Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 PolarHBondContact O-N 3.49Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 2.94Å; F167-L170 WeakPolarHBondContact O-CB 3.43Å; F167-L170 PolarHBondContact O-N 2.83Å; F167-A171 WeakPolarHBondContact O-CB 3.4Å; F167-A171 PolarHBondContact O-N 2.91Å; F167-W203 HydrophobicContact CB-CE3 4.11Å; F167-W203 HydrophobicContact CB-CH2 3.69Å; F167-W203 HydrophobicContact CB-CZ2 4.38Å; F167-W203 HydrophobicContact CB-CZ3 3.55Å; F167-W203 AromaticContact CD2-CD2 3.59Å; F167-W203 HydrophobicContact CD2-CD2 3.59Å; F167-W203 AromaticContact CD2-CE3 3.47Å; F167-W203 HydrophobicContact CD2-CE3 3.47Å; F167-W203 VanDerWaalsContact CD2-CE3 3.47Å; F167-W203 HydrophobicContact CD2-CG 4.13Å; F167-W203 HydrophobicContact CD2-CH2 4.29Å; F167-W203 HydrophobicContact CD2-CZ2 4.43Å; F167-W203 AromaticContact CD2-CZ3 3.84Å; F167-W203 HydrophobicContact CD2-CZ3 3.84Å; F167-W203 HydrophobicContact CE2-CD2 4.18Å; F167-W203 HydrophobicContact CE2-CE3 4.38Å; F167-W203 HydrophobicContact CE2-CG 4.25Å; F167-W203 HydrophobicContact CG-CE3 4.25Å; F167-W203 HydrophobicContact CG-CH2 4.36Å; F167-W203 HydrophobicContact CG-CZ3 4.16Å
168F96.6Very high94.8Very high0 Ų014.2 Ų14.20%08%0.078CC..Hα-helixtrans-59.7-42.5176172.3-93.9000112.3F148 P164 R165 L170 A171 W172 L271 V284 P285 F293 W296 V297F148-F168 HydrophobicContact CE2-CD2 4.18Å; F148-F168 HydrophobicContact CZ-CB 4.32Å; F148-F168 HydrophobicContact CZ-CD2 4.08Å; P164-F168 PolarHBondContact O-N 2.79Å; R165-F168 WeakPolarHBondContact O-CB 3.36Å; R165-F168 PolarHBondContact O-N 3.15Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-L170 PolarHBondContact O-N 3.43Å; F168-A171 WeakPolarHBondContact O-CB 3.24Å; F168-A171 PolarHBondContact O-N 3.2Å; F168-W172 HydrophobicContact CZ-CE3 4.36Å; F168-W172 WeakPolarHBondContact O-CB 3.29Å; F168-W172 PolarHBondContact O-N 3.17Å; F168-L271 HydrophobicContact CE1-CD1 3.88Å; F168-L271 HydrophobicContact CE1-CD2 4.35Å; F168-L271 HydrophobicContact CZ-CD1 3.84Å; F168-V284 HydrophobicContact CD1-CG1 4.03Å; F168-V284 HydrophobicContact CE1-CB 4.49Å; F168-V284 HydrophobicContact CE1-CG1 3.82Å; F168-V284 HydrophobicContact CE1-CG2 4.26Å; F168-P285 HydrophobicContact CZ-CG 4.4Å; F168-F293 HydrophobicContact CB-CD1 3.59Å; F168-F293 HydrophobicContact CB-CE1 3.7Å; F168-F293 HydrophobicContact CB-CG 4.18Å; F168-F293 HydrophobicContact CB-CZ 4.39Å; F168-F293 HydrophobicContact CD1-CD1 4.15Å; F168-F293 HydrophobicContact CD1-CE1 4.05Å; F168-F293 HydrophobicContact CD2-CB 4.29Å; F168-F293 AromaticContact CD2-CD1 3.48Å; F168-F293 HydrophobicContact CD2-CD1 3.48Å; F168-F293 VanDerWaalsContact CD2-CD1 3.48Å; F168-F293 HydrophobicContact CD2-CE1 4.2Å; F168-F293 HydrophobicContact CD2-CG 4.22Å; F168-F293 HydrophobicContact CE2-CD1 4.19Å; F168-F293 AromaticContact CG-CD1 3.44Å; F168-F293 HydrophobicContact CG-CD1 3.44Å; F168-F293 VanDerWaalsContact CG-CD1 3.44Å; F168-F293 AromaticContact CG-CE1 3.7Å; F168-F293 HydrophobicContact CG-CE1 3.7Å; F168-F293 HydrophobicContact CG-CG 4.36Å; F168-W296 AromaticContact CE2-CE3 3.73Å; F168-W296 HydrophobicContact CE2-CE3 3.73Å; F168-W296 HydrophobicContact CE2-CH2 4.43Å; F168-W296 AromaticContact CE2-CZ3 3.58Å; F168-W296 HydrophobicContact CE2-CZ3 3.58Å; F168-W296 AromaticContact CZ-CE3 3.93Å; F168-W296 HydrophobicContact CZ-CE3 3.93Å; F168-W296 AromaticContact CZ-CH2 3.88Å; F168-W296 HydrophobicContact CZ-CH2 3.88Å; F168-W296 AromaticContact CZ-CZ3 3.48Å; F168-W296 HydrophobicContact CZ-CZ3 3.48Å; F168-W296 VanDerWaalsContact CZ-CZ3 3.48Å; F168-V297 HydrophobicContact CE2-CG2 4.46Å
169L97Very high95Very high0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-62.8-40176.4-64.7170.3000111.8R165 L166 F167 W172 L173 F260 S264 V284R165-L169 WeakPolarHBondContact O-CG 3.44Å; R165-L169 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.01Å; F167-L169 VanDerWaalsContact C-N 3.34Å; F167-L169 PolarHBondContact O-N 2.94Å; L169-W172 PolarHBondContact O-N 3.05Å; L169-L173 PolarHBondContact O-N 2.88Å; L169-F260 HydrophobicContact CB-CE1 4.35Å; L169-F260 HydrophobicContact CB-CZ 4.28Å; L169-S264 VanDerWaalsContact CD1-OG 3.23Å; L169-S264 WeakPolarHBondContact CD1-OG 3.35Å; L169-V284 HydrophobicContact CD2-CG2 4.48Å
170L97.6Very high95.2Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-64.4-43.7172.3175.965000111.9L166 F167 F168 W172 L173 N174 L199 A202 W203 I206 L234 Y239 F260L166-L170 PolarHBondContact O-N 3.03Å; L166-L170 VanDerWaalsContact O-N 3.1Å; F167-L170 WeakPolarHBondContact O-CB 3.43Å; F167-L170 PolarHBondContact O-N 2.83Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-L170 PolarHBondContact O-N 3.43Å; L170-W172 VanDerWaalsContact C-N 3.29Å; L170-W172 PolarHBondContact O-N 3.24Å; L170-L173 PolarHBondContact O-N 3.4Å; L170-N174 WeakPolarHBondContact O-CB 3.37Å; L170-N174 PolarHBondContact O-N 3.46Å; L170-L199 HydrophobicContact CD2-CD1 4.13Å; L170-L199 HydrophobicContact CG-CD1 4.15Å; L170-A202 HydrophobicContact CD1-CB 3.7Å; L170-A202 HydrophobicContact CD2-CB 4.02Å; L170-A202 HydrophobicContact CG-CB 4.48Å; L170-W203 HydrophobicContact CD2-CB 3.8Å; L170-W203 HydrophobicContact CD2-CE3 4.1Å; L170-I206 HydrophobicContact CB-CD1 4.14Å; L170-I206 HydrophobicContact CD1-CD1 4.2Å; L170-I206 HydrophobicContact CD2-CD1 4.02Å; L170-I206 HydrophobicContact CG-CD1 4.34Å; L170-L234 HydrophobicContact CD1-CD2 4.03Å; L170-Y239 HydrophobicContact CD1-CE2 4.15Å; L170-F260 HydrophobicContact CB-CZ 4.22Å
171A96.6Very high95.1Very high0 Ų09.9 Ų9.90%05%0.051CC..Hα-helixtrans-61.7-40.4177.800000111.3L144 T147 F148 F167 F168 N174 A175L144-A171 HydrophobicContact CD2-CB 3.83Å; L144-A171 WeakPolarHBondContact CD2-O 3.28Å; T147-A171 HydrophobicContact CG2-CB 3.46Å; T147-A171 VanDerWaalsContact CG2-CB 3.46Å; F148-A171 HydrophobicContact CE2-CB 4.38Å; F167-A171 WeakPolarHBondContact O-CB 3.4Å; F167-A171 PolarHBondContact O-N 2.91Å; F168-A171 WeakPolarHBondContact O-CB 3.24Å; F168-A171 PolarHBondContact O-N 3.2Å; A171-N174 PolarHBondContact O-N 2.79Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.11Å
172W97.1Very high95Very high6 Ų69 Ų92%0.0234%0.043CC..Hα-helixtrans-63.3-49.1173.8-174.8-90.9000111.9I140 L144 F168 L169 L170 N174 A175 V176 L271 V272 L282 W296 W308I140-W172 HydrophobicContact CG2-CE3 4.17Å; I140-W172 HydrophobicContact CG2-CH2 4.02Å; I140-W172 HydrophobicContact CG2-CZ3 3.63Å; L144-W172 HydrophobicContact CD1-CE3 3.9Å; L144-W172 HydrophobicContact CD1-CZ3 4.06Å; F168-W172 HydrophobicContact CZ-CE3 4.36Å; F168-W172 WeakPolarHBondContact O-CB 3.29Å; F168-W172 PolarHBondContact O-N 3.17Å; L169-W172 PolarHBondContact O-N 3.05Å; L170-W172 VanDerWaalsContact C-N 3.29Å; L170-W172 PolarHBondContact O-N 3.24Å; W172-N174 VanDerWaalsContact C-N 3.33Å; W172-N174 PolarHBondContact O-N 2.97Å; W172-A175 PolarHBondContact O-N 2.9Å; W172-V176 WeakPolarHBondContact O-CG2 3.28Å; W172-V176 PolarHBondContact O-N 2.82Å; W172-L271 HydrophobicContact CD2-CD1 4.07Å; W172-L271 HydrophobicContact CD2-CD2 4.03Å; W172-L271 HydrophobicContact CD2-CG 4.46Å; W172-L271 HydrophobicContact CE3-CD1 3.92Å; W172-L271 HydrophobicContact CG-CD2 4Å; W172-L271 HydrophobicContact CH2-CB 4.33Å; W172-L271 HydrophobicContact CH2-CD1 4.22Å; W172-L271 HydrophobicContact CZ2-CB 3.86Å; W172-L271 HydrophobicContact CZ2-CD1 4.37Å; W172-L271 HydrophobicContact CZ3-CD1 3.99Å; W172-V272 HydrophobicContact CH2-CG2 4.36Å; W172-V272 HydrophobicContact CZ2-CG2 3.91Å; W172-L282 HydrophobicContact CH2-CD2 3.48Å; W172-L282 VanDerWaalsContact CH2-CD2 3.48Å; W172-L282 HydrophobicContact CZ2-CD2 4.29Å; W172-L282 HydrophobicContact CZ3-CD2 4.09Å; W172-W296 HydrophobicContact CE3-CH2 4.45Å; W172-W296 AromaticContact CZ3-CH2 3.89Å; W172-W296 HydrophobicContact CZ3-CH2 3.89Å; W172-W296 HydrophobicContact CZ3-CZ3 4.25Å; W172-W308 AromaticContact CH2-CE3 3.66Å; W172-W308 HydrophobicContact CH2-CE3 3.66Å; W172-W308 AromaticContact CH2-CZ3 3.94Å; W172-W308 HydrophobicContact CH2-CZ3 3.94Å; W172-W308 HydrophobicContact CZ3-CE3 4.42Å; W172-W308 HydrophobicContact CZ3-CZ3 4.35Å
173L97.4Very high94.8Very high0 Ų08.3 Ų8.30%04%0.039CC..Hα-helixtrans-55.6-49.4174.9176.668.3000110.9L169 L170 A175 V176 V177 L234 Y239 F255 I256 L259 F260L169-L173 PolarHBondContact O-N 2.88Å; L170-L173 PolarHBondContact O-N 3.4Å; L173-A175 VanDerWaalsContact C-N 3.33Å; L173-A175 PolarHBondContact O-N 2.87Å; L173-V176 PolarHBondContact O-N 3.27Å; L173-V177 HydrophobicContact CD1-CG2 3.94Å; L173-V177 HydrophobicContact CG-CG2 4.21Å; L173-V177 WeakPolarHBondContact O-CB 3.48Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.31Å; L173-L234 HydrophobicContact CD2-CD1 4.18Å; L173-Y239 HydrophobicContact CD2-CD2 4.2Å; L173-Y239 HydrophobicContact CD2-CE2 4.04Å; L173-F255 HydrophobicContact CD1-CB 3.94Å; L173-I256 HydrophobicContact CD1-CG1 4.1Å; L173-I256 HydrophobicContact CD2-CD1 4.45Å; L173-I256 HydrophobicContact CD2-CG1 3.83Å; L173-L259 HydrophobicContact CB-CD1 3.91Å; L173-L259 HydrophobicContact CD1-CD1 4.13Å; L173-F260 HydrophobicContact CB-CE2 4.3Å; L173-F260 HydrophobicContact CD2-CE2 3.87Å
174N96.1Very high94.6Very high1 Ų19.7 Ų9.71%0.0055%0.047CC..Hα-helixtrans-58.9-44.5179.2-179.463.1000111.5T147 L170 A171 W172 V177 Q178 L199 Y239T147-N174 PolarHBondContact OG1-ND2 3.25Å; L170-N174 WeakPolarHBondContact O-CB 3.37Å; L170-N174 PolarHBondContact O-N 3.46Å; A171-N174 PolarHBondContact O-N 2.79Å; W172-N174 VanDerWaalsContact C-N 3.33Å; W172-N174 PolarHBondContact O-N 2.97Å; N174-V177 PolarHBondContact O-N 3.43Å; N174-Q178 VanDerWaalsContact CG-NE2 3.34Å; N174-Q178 PolarHBondContact ND2-NE2 3.44Å; N174-Q178 WeakPolarHBondContact O-CB 3.3Å; N174-Q178 VanDerWaalsContact O-CG 3.31Å; N174-Q178 WeakPolarHBondContact O-CG 2.99Å; N174-Q178 PolarHBondContact O-N 3.18Å; N174-Q178 PolarHBondContact OD1-NE2 2.88Å; N174-L199 HydrophobicContact CB-CD1 4.11Å; N174-Y239 PolarHBondContact OD1-OH 3.35Å
175A95.2Very high94.2Very high0 Ų09.9 Ų9.90%05%0.048CC..Hα-helixtrans-62.5-45.4176.700000111.9I140 N143 L144 A171 W172 L173 Q178 E179I140-A175 HydrophobicContact CD1-CB 3.86Å; N143-A175 HydrophobicContact CB-CB 3.67Å; L144-A175 HydrophobicContact CD2-CB 4.18Å; L144-A175 HydrophobicContact CG-CB 4.14Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.11Å; W172-A175 PolarHBondContact O-N 2.9Å; L173-A175 VanDerWaalsContact C-N 3.33Å; L173-A175 PolarHBondContact O-N 2.87Å; A175-Q178 PolarHBondContact O-N 2.96Å; A175-E179 VanDerWaalsContact O-CB 3.25Å; A175-E179 WeakPolarHBondContact O-CB 3.37Å; A175-E179 VanDerWaalsContact O-CG 3.25Å; A175-E179 WeakPolarHBondContact O-CG 3.35Å; A175-E179 PolarHBondContact O-N 2.89Å
176V95.8Very high93.9Very high2 Ų29.6 Ų9.61%0.0125%0.048CC..Hα-helixtrans-62-47.7177.1170.90000111I140 W172 L173 Q178 E179 R180 F255 L309I140-V176 HydrophobicContact CD1-CG2 3.94Å; W172-V176 WeakPolarHBondContact O-CG2 3.28Å; W172-V176 PolarHBondContact O-N 2.82Å; L173-V176 PolarHBondContact O-N 3.27Å; V176-Q178 PolarHBondContact O-N 3.46Å; V176-E179 PolarHBondContact O-N 3.26Å; V176-R180 HydrophobicContact CG1-CG 4.39Å; V176-R180 WeakPolarHBondContact O-CB 3.29Å; V176-R180 VanDerWaalsContact O-CG 3.24Å; V176-R180 WeakPolarHBondContact O-CG 3.09Å; V176-R180 PolarHBondContact O-N 3.23Å; V176-F255 HydrophobicContact CG1-CD1 4.24Å; V176-F255 HydrophobicContact CG1-CD2 4.4Å; V176-F255 HydrophobicContact CG1-CE1 4.01Å; V176-F255 HydrophobicContact CG1-CE2 4.15Å; V176-F255 HydrophobicContact CG1-CG 4.44Å; V176-F255 HydrophobicContact CG1-CZ 3.97Å; V176-L309 HydrophobicContact CG1-CD2 4.42Å; V176-L309 HydrophobicContact CG2-CD2 4.42Å
177V95.3Very high93.6Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-60.6-44.6-179.41680000111.2L173 N174 W188 F194 Y239 L252L173-V177 HydrophobicContact CD1-CG2 3.94Å; L173-V177 HydrophobicContact CG-CG2 4.21Å; L173-V177 WeakPolarHBondContact O-CB 3.48Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.31Å; N174-V177 PolarHBondContact O-N 3.43Å; V177-W188 HydrophobicContact CB-CZ2 4.35Å; V177-W188 HydrophobicContact CG1-CZ2 4.11Å; V177-W188 HydrophobicContact CG2-CZ2 4.14Å; V177-W188 PolarHBondContact O-NE1 2.77Å; V177-F194 HydrophobicContact CG1-CB 4.28Å; V177-F194 HydrophobicContact CG1-CD1 3.77Å; V177-F194 HydrophobicContact CG1-CD2 3.25Å; V177-F194 HydrophobicContact CG1-CE1 3.79Å; V177-F194 HydrophobicContact CG1-CE2 3.29Å; V177-F194 HydrophobicContact CG1-CG 3.49Å; V177-F194 VanDerWaalsContact CG1-CG 3.49Å; V177-F194 HydrophobicContact CG1-CZ 3.56Å; V177-Y239 HydrophobicContact CG1-CD1 4.12Å; V177-Y239 HydrophobicContact CG1-CE1 4.47Å; V177-L252 HydrophobicContact CG2-CD1 4.04Å
178Q92.6Very high93.5Very high28 Ų289.6 Ų9.613%0.1315%0.048CC..Hα-helixtrans-68.5-46.9177.2-70.5-173.532.100112.1N143 N174 A175 V176 R180 L181 F194N143-Q178 PolarHBondContact OD1-OE1 3.01Å; N174-Q178 VanDerWaalsContact CG-NE2 3.34Å; N174-Q178 PolarHBondContact ND2-NE2 3.44Å; N174-Q178 WeakPolarHBondContact O-CB 3.3Å; N174-Q178 VanDerWaalsContact O-CG 3.31Å; N174-Q178 WeakPolarHBondContact O-CG 2.99Å; N174-Q178 PolarHBondContact O-N 3.18Å; N174-Q178 PolarHBondContact OD1-NE2 2.88Å; A175-Q178 PolarHBondContact O-N 2.96Å; V176-Q178 PolarHBondContact O-N 3.46Å; Q178-R180 VanDerWaalsContact C-N 3.3Å; Q178-R180 PolarHBondContact O-N 3.18Å; Q178-L181 VanDerWaalsContact O-CB 3.25Å; Q178-L181 WeakPolarHBondContact O-CB 3.37Å; Q178-L181 PolarHBondContact O-N 3.09Å; Q178-F194 HydrophobicContact CG-CB 4.25Å
179E93.1Very high93.2Very high17 Ų1710 Ų108%0.0795%0.05CC..Hα-helixtrans-66.5-31.2-177.4-74.8-62111.600112.9G139 I140 N143 A175 V176 L181 Q182 L309G139-E179 WeakPolarHBondContact CA-OE2 3.23Å; G139-E179 PolarHBondContact N-OE1 2.98Å; G139-E179 PolarHBondContact N-OE2 3.17Å; I140-E179 HydrophobicContact CD1-CB 4.49Å; I140-E179 HydrophobicContact CD1-CG 4.24Å; I140-E179 HydrophobicContact CG1-CG 4.43Å; N143-E179 VanDerWaalsContact ND2-CD 3.35Å; N143-E179 PolarHBondContact ND2-OE1 3.47Å; A175-E179 VanDerWaalsContact O-CB 3.25Å; A175-E179 WeakPolarHBondContact O-CB 3.37Å; A175-E179 VanDerWaalsContact O-CG 3.25Å; A175-E179 WeakPolarHBondContact O-CG 3.35Å; A175-E179 PolarHBondContact O-N 2.89Å; V176-E179 PolarHBondContact O-N 3.26Å; E179-L181 PolarHBondContact O-N 3.46Å; E179-Q182 VanDerWaalsContact O-CB 3.3Å; E179-Q182 WeakPolarHBondContact O-CB 3.47Å; E179-Q182 WeakPolarHBondContact O-CG 3.41Å; E179-Q182 PolarHBondContact O-N 2.84Å; E179-Q182 PolarHBondContact OE1-NE2 2.87Å; E179-Q182 PolarHBondContact OE2-NE2 3.32Å; E179-L309 HydrophobicContact CB-CD1 4Å; E179-L309 HydrophobicContact CB-CD2 3.64Å; E179-L309 HydrophobicContact CB-CG 4.49Å
180R94Very high92.9Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-62.9-23173.1-76.1-176.271.793.9-0.5113.5V176 Q178 Q182 Y183 G187 L251 L309 E622V176-R180 HydrophobicContact CG1-CG 4.39Å; V176-R180 WeakPolarHBondContact O-CB 3.29Å; V176-R180 VanDerWaalsContact O-CG 3.24Å; V176-R180 WeakPolarHBondContact O-CG 3.09Å; V176-R180 PolarHBondContact O-N 3.23Å; Q178-R180 VanDerWaalsContact C-N 3.3Å; Q178-R180 PolarHBondContact O-N 3.18Å; R180-Q182 PolarHBondContact O-N 3.3Å; R180-Y183 PolarHBondContact O-N 2.79Å; R180-G187 VanDerWaalsContact CZ-O 3.23Å; R180-G187 PolarHBondContact NE-O 2.87Å; R180-G187 PolarHBondContact NH2-O 3.48Å; R180-L251 VanDerWaalsContact NH2-CD2 3.26Å; R180-L309 HydrophobicContact CG-CB 3.99Å; R180-L309 HydrophobicContact CG-CD1 4.38Å; R180-L309 PolarHBondContact NH1-O 2.69Å; R180-E622 PolarHBondContact NH1-O 2.87Å; R180-E622 PolarHBondContact NH2-O 3.43Å
181L91.9Very high92.5Very high32 Ų3221.4 Ų21.417%0.16810%0.095CC..G310 helixtrans-63.4-21.1173.2-67169.8000112.9Q178 E179 Y183 V184 W188 R191 Y192 F194Q178-L181 VanDerWaalsContact O-CB 3.25Å; Q178-L181 WeakPolarHBondContact O-CB 3.37Å; Q178-L181 PolarHBondContact O-N 3.09Å; E179-L181 PolarHBondContact O-N 3.46Å; L181-Y183 PolarHBondContact O-N 2.91Å; L181-V184 WeakPolarHBondContact O-CG2 3.48Å; L181-W188 HydrophobicContact CD2-CG 4.42Å; L181-R191 PolarHBondContact O-NH1 3.36Å; L181-Y192 WeakPolarHBondContact CD1-O 3.43Å; L181-Y192 VanDerWaalsContact CD2-O 3.24Å; L181-Y192 WeakPolarHBondContact CD2-O 3Å; L181-F194 HydrophobicContact CD1-CD2 3.88Å; L181-F194 HydrophobicContact CD2-CD2 4.29Å; L181-F194 HydrophobicContact CD2-CE2 4.24Å; L181-F194 HydrophobicContact CG-CD2 4.19Å; L181-F194 HydrophobicContact CG-CE2 4.48Å
182Q88.3Confident92.3Very high43 Ų4322.2 Ų22.220%0.20110%0.098CC..G310 helixtrans-69.5-23.7174.5-60.8-16830.100112.7E179 R180 L319E179-Q182 VanDerWaalsContact O-CB 3.3Å; E179-Q182 WeakPolarHBondContact O-CB 3.47Å; E179-Q182 WeakPolarHBondContact O-CG 3.41Å; E179-Q182 PolarHBondContact O-N 2.84Å; E179-Q182 PolarHBondContact OE1-NE2 2.87Å; E179-Q182 PolarHBondContact OE2-NE2 3.32Å; R180-Q182 PolarHBondContact O-N 3.3Å; Q182-L319 WeakPolarHBondContact O-CD1 3.36Å
183Y89.7Confident91.8Very high21 Ų2128.6 Ų28.68%0.08213%0.128CC..G310 helixtrans-103.716.8-173.8-64-94.9000113.1R180 L181 I186 G187 P306 L309 L311 A315 L319R180-Y183 PolarHBondContact O-N 2.79Å; L181-Y183 PolarHBondContact O-N 2.91Å; Y183-I186 CarbonylContact O-C 3.54Å; Y183-I186 WeakPolarHBondContact O-CA 3.44Å; Y183-I186 WeakPolarHBondContact O-CB 3.47Å; Y183-I186 PolarHBondContact O-N 2.94Å; Y183-G187 PolarHBondContact O-N 3.43Å; Y183-P306 HydrophobicContact CE1-CB 4.22Å; Y183-P306 HydrophobicContact CE1-CG 4.04Å; Y183-L309 HydrophobicContact CD2-CD1 3.82Å; Y183-L309 HydrophobicContact CE2-CD1 3.4Å; Y183-L311 HydrophobicContact CD1-CD1 3.79Å; Y183-L311 HydrophobicContact CD2-CD1 3.85Å; Y183-L311 HydrophobicContact CE1-CD1 4.36Å; Y183-L311 HydrophobicContact CE2-CD1 4.44Å; Y183-L311 HydrophobicContact CG-CD1 3.5Å; Y183-L311 VanDerWaalsContact CG-CD1 3.5Å; Y183-A315 HydrophobicContact CD1-CB 4.25Å; Y183-A315 HydrophobicContact CE1-CB 4.39Å; Y183-L319 HydrophobicContact CD1-CB 4.37Å; Y183-L319 HydrophobicContact CD1-CD2 3.79Å; Y183-L319 HydrophobicContact CE1-CB 4.5Å; Y183-L319 HydrophobicContact CE1-CD2 3.68Å; Y183-L319 HydrophobicContact CG-CD2 4.27Å
184V89.1Confident91.5Very high29 Ų2929.4 Ų29.418%0.17613%0.132CC..THydrogen-bonded Turntrans-56.3132.5175173.40000110.1L181 W188 K190 R191L181-V184 WeakPolarHBondContact O-CG2 3.48Å; V184-W188 HydrophobicContact CG2-CB 4.29Å; V184-K190 WeakPolarHBondContact CG2-O 3.34Å; V184-R191 HydrophobicContact CB-CG 4.32Å; V184-R191 HydrophobicContact CG1-CG 4.23Å; V184-R191 HydrophobicContact CG2-CG 3.97Å
185P87.8Confident91.1Very high11 Ų1131.2 Ų31.27%0.07114%0.144CC..THydrogen-bonded Turncis-93.12.89.337-36.8000115.8W188 A597 D598 R599 L635P185-W188 CarbonylContact C-O 3.54Å; P185-W188 WeakPolarHBondContact CA-O 3.42Å; P185-W188 CarbonylContact O-C 3.57Å; P185-W188 VanDerWaalsContact O-O 3.05Å; P185-A597 VanDerWaalsContact CG-O 3.26Å; P185-A597 WeakPolarHBondContact CG-O 3.44Å; P185-D598 WeakPolarHBondContact CB-O 3.49Å; P185-R599 HydrophobicContact CB-CB 4.06Å; P185-R599 HydrophobicContact CB-CG 3.94Å; P185-R599 HydrophobicContact CG-CG 4.28Å; P185-R599 VanDerWaalsContact O-CD 3.3Å; P185-R599 WeakPolarHBondContact O-CD 3.31Å; P185-R599 PolarHBondContact O-NE 2.73Å; P185-R599 PolarHBondContact O-NH1 3.43Å; P185-L635 HydrophobicContact CG-CD1 4.02Å; P185-L635 HydrophobicContact CG-CD2 4.4Å
186I87.4Confident90.6Very high11 Ų1135 Ų356%0.05616%0.162CC..THydrogen-bonded Turntrans-75.8-45.3-176.9-55.9172.3000111.1Y183 L311 V318 M548Y183-I186 CarbonylContact O-C 3.54Å; Y183-I186 WeakPolarHBondContact O-CA 3.44Å; Y183-I186 WeakPolarHBondContact O-CB 3.47Å; Y183-I186 PolarHBondContact O-N 2.94Å; I186-L311 HydrophobicContact CG2-CD2 3.88Å; I186-V318 HydrophobicContact CD1-CG1 4.13Å; I186-M548 HydrophobicContact CD1-CE 4.2Å; I186-M548 HydrophobicContact CD1-SD 3.89Å; I186-M548 HydrophobicContact CG1-CE 4.17Å; I186-M548 HydrophobicContact CG1-SD 3.8Å; I186-M548 HydrophobicContact CG2-SD 4.18Å
187G90.9Very high90.3Very high0 Ų037.6 Ų37.60%018%0.184CC..SBendtrans-67.7-48.8178.900000112.5R180 Y183 L251R180-G187 VanDerWaalsContact CZ-O 3.23Å; R180-G187 PolarHBondContact NE-O 2.87Å; R180-G187 PolarHBondContact NH2-O 3.48Å; Y183-G187 PolarHBondContact O-N 3.43Å; G187-L251 WeakPolarHBondContact O-CD2 3.43Å
188W93.7Very high90.1Very high1 Ų138.2 Ų38.20%0.00419%0.187CC..  trans-140.9149.6172.5-65.3115.6000107.6V177 L181 V184 P185 K190 Y192 F194 L243 D248 L251 L252V177-W188 HydrophobicContact CB-CZ2 4.35Å; V177-W188 HydrophobicContact CG1-CZ2 4.11Å; V177-W188 HydrophobicContact CG2-CZ2 4.14Å; V177-W188 PolarHBondContact O-NE1 2.77Å; L181-W188 HydrophobicContact CD2-CG 4.42Å; V184-W188 HydrophobicContact CG2-CB 4.29Å; P185-W188 CarbonylContact C-O 3.54Å; P185-W188 WeakPolarHBondContact CA-O 3.42Å; P185-W188 CarbonylContact O-C 3.57Å; P185-W188 VanDerWaalsContact O-O 3.05Å; W188-K190 WeakPolarHBondContact CB-O 3.47Å; W188-K190 PolarHBondContact O-N 3.15Å; W188-Y192 HydrophobicContact CB-CD2 3.93Å; W188-Y192 HydrophobicContact CB-CE2 3.99Å; W188-Y192 HydrophobicContact CD2-CD2 4.35Å; W188-Y192 HydrophobicContact CE3-CE2 4.38Å; W188-Y192 HydrophobicContact CG-CD2 4.11Å; W188-Y192 HydrophobicContact CG-CE2 4.44Å; W188-F194 HydrophobicContact CZ2-CE2 4.47Å; W188-F194 AromaticContact NE1-CE2 3.92Å; W188-L243 HydrophobicContact CZ3-CD1 4.49Å; W188-D248 HydrophobicContact CE3-CB 3.82Å; W188-D248 HydrophobicContact CZ3-CB 4.02Å; W188-D248 WeakPolarHBondContact CZ3-O 3.37Å; W188-L251 HydrophobicContact CD2-CD2 4.47Å; W188-L251 HydrophobicContact CE3-CD2 3.74Å; W188-L251 HydrophobicContact CE3-CG 4.5Å; W188-L251 HydrophobicContact CH2-CD2 4.12Å; W188-L251 HydrophobicContact CH2-CG 4.12Å; W188-L251 HydrophobicContact CZ3-CB 4.23Å; W188-L251 HydrophobicContact CZ3-CD2 3.54Å; W188-L251 HydrophobicContact CZ3-CG 3.81Å; W188-L252 HydrophobicContact CH2-CB 4.11Å; W188-L252 HydrophobicContact CH2-CD1 4.47Å; W188-L252 HydrophobicContact CZ3-CB 4.47Å
189T91.4Very high90.2Very high7 Ų737 Ų374%0.04318%0.181CC..SBendtrans-66.3-24.4179.866.50000113.3N245 D248 Y594 R599T189-N245 WeakPolarHBondContact CG2-ND2 3.27Å; T189-N245 PolarHBondContact OG1-ND2 2.9Å; T189-D248 WeakPolarHBondContact CB-OD2 3.44Å; T189-D248 PolarHBondContact N-OD1 2.91Å; T189-D248 VanDerWaalsContact N-OD1 3.11Å; T189-D248 PolarHBondContact N-OD2 3.48Å; T189-D248 PolarHBondContact OG1-OD2 3.43Å; T189-Y594 WeakPolarHBondContact CG2-OH 3.3Å; T189-R599 HydrophobicContact CG2-CB 4.19Å
190K90.1Very high90.2Very high68 Ų6842.1 Ų42.130%0.29620%0.2SC..SBendtrans-135.5165.7178.7-63.9173.4-174.4160.40111.2V184 W188 Y192 D244V184-K190 WeakPolarHBondContact CG2-O 3.34Å; W188-K190 WeakPolarHBondContact CB-O 3.47Å; W188-K190 PolarHBondContact O-N 3.15Å; K190-Y192 VanDerWaalsContact C-N 3.32Å; K190-Y192 HydrophobicContact CB-CE1 4.28Å; K190-Y192 HydrophobicContact CB-CE2 4.37Å; K190-Y192 PolarHBondContact O-N 3.02Å; K190-Y192 VanDerWaalsContact O-N 3.09Å; K190-D244 IonicContact NZ-OD1 2.75Å; K190-D244 PolarHBondContact NZ-OD1 3.19Å; K190-D244 IonicContact NZ-OD2 2.6Å; K190-D244 PolarHBondContact NZ-OD2 3.45Å
191R89.2Confident90.2Very high172 Ų17245.8 Ų45.865%0.64922%0.222SC*.  trans-80.679.5170.8-67.5-176.3-179-76.8-6.5109.7L181 V184L181-R191 PolarHBondContact O-NH1 3.36Å; V184-R191 HydrophobicContact CB-CG 4.32Å; V184-R191 HydrophobicContact CG1-CG 4.23Å; V184-R191 HydrophobicContact CG2-CG 3.97Å
192Y91.8Very high90.5Very high18 Ų1844.3 Ų44.37%0.07121%0.214CC..  trans-65.6153.5172.4-58.9-69.5000111.3L181 W188 K190 F194 R242 L243 D244 N245 D248L181-Y192 WeakPolarHBondContact CD1-O 3.43Å; L181-Y192 VanDerWaalsContact CD2-O 3.24Å; L181-Y192 WeakPolarHBondContact CD2-O 3Å; W188-Y192 HydrophobicContact CB-CD2 3.93Å; W188-Y192 HydrophobicContact CB-CE2 3.99Å; W188-Y192 HydrophobicContact CD2-CD2 4.35Å; W188-Y192 HydrophobicContact CE3-CE2 4.38Å; W188-Y192 HydrophobicContact CG-CD2 4.11Å; W188-Y192 HydrophobicContact CG-CE2 4.44Å; K190-Y192 VanDerWaalsContact C-N 3.32Å; K190-Y192 HydrophobicContact CB-CE1 4.28Å; K190-Y192 HydrophobicContact CB-CE2 4.37Å; K190-Y192 PolarHBondContact O-N 3.02Å; K190-Y192 VanDerWaalsContact O-N 3.09Å; Y192-F194 HydrophobicContact CD2-CE2 4.46Å; Y192-F194 HydrophobicContact CD2-CZ 4.44Å; Y192-F194 HydrophobicContact CG-CE2 4.48Å; Y192-F194 HydrophobicContact CG-CZ 4.37Å; Y192-R242 WeakPolarHBondContact CD1-O 3.47Å; Y192-L243 HydrophobicContact CD1-CD2 3.95Å; Y192-L243 HydrophobicContact CD2-CD2 3.43Å; Y192-L243 VanDerWaalsContact CD2-CD2 3.43Å; Y192-L243 HydrophobicContact CE1-CD2 3.9Å; Y192-L243 HydrophobicContact CE2-CD2 3.36Å; Y192-L243 HydrophobicContact CG-CD2 3.73Å; Y192-D244 PolarHBondContact OH-OD1 3.12Å; Y192-N245 WeakPolarHBondContact OH-CB 3.34Å; Y192-D248 HydrophobicContact CE2-CB 4.09Å; Y192-D248 WeakPolarHBondContact CE2-OD2 3.49Å; Y192-D248 VanDerWaalsContact CZ-OD2 3.32Å; Y192-D248 PolarHBondContact OH-OD2 2.9Å
193E87.9Confident90.8Very high139 Ų13942.2 Ų42.265%0.6521%0.205SC*.  trans-98.899.7178-67.7179.1-176.400109.8
194F90.8Very high91.1Very high18 Ų1844.2 Ų44.28%0.07922%0.217CC..  trans-102.8110.6170.7-58.4-65.5000109V177 Q178 L181 W188 Y192 Y239 R242 L243V177-F194 HydrophobicContact CG1-CB 4.28Å; V177-F194 HydrophobicContact CG1-CD1 3.77Å; V177-F194 HydrophobicContact CG1-CD2 3.25Å; V177-F194 HydrophobicContact CG1-CE1 3.79Å; V177-F194 HydrophobicContact CG1-CE2 3.29Å; V177-F194 HydrophobicContact CG1-CG 3.49Å; V177-F194 VanDerWaalsContact CG1-CG 3.49Å; V177-F194 HydrophobicContact CG1-CZ 3.56Å; Q178-F194 HydrophobicContact CG-CB 4.25Å; L181-F194 HydrophobicContact CD1-CD2 3.88Å; L181-F194 HydrophobicContact CD2-CD2 4.29Å; L181-F194 HydrophobicContact CD2-CE2 4.24Å; L181-F194 HydrophobicContact CG-CD2 4.19Å; L181-F194 HydrophobicContact CG-CE2 4.48Å; W188-F194 HydrophobicContact CZ2-CE2 4.47Å; W188-F194 AromaticContact NE1-CE2 3.92Å; Y192-F194 HydrophobicContact CD2-CE2 4.46Å; Y192-F194 HydrophobicContact CD2-CZ 4.44Å; Y192-F194 HydrophobicContact CG-CE2 4.48Å; Y192-F194 HydrophobicContact CG-CZ 4.37Å; F194-Y239 AromaticContact CD1-CD1 3.73Å; F194-Y239 HydrophobicContact CD1-CD1 3.73Å; F194-Y239 HydrophobicContact CD1-CE1 4.45Å; F194-Y239 HydrophobicContact CE1-CD1 4.05Å; F194-R242 HydrophobicContact CD1-CG 4.31Å; F194-R242 HydrophobicContact CE1-CB 4.05Å; F194-R242 HydrophobicContact CE1-CG 4.27Å; F194-L243 HydrophobicContact CZ-CD2 3.99Å
195S86.4Confident91.4Very high38 Ų3844.5 Ų44.527%0.26622%0.22SC..  trans-106.3168.7-171.972.60000112.5A197 D198 L199S195-A197 PolarHBondContact O-N 3.33Å; S195-A197 PolarHBondContact OG-N 3.17Å; S195-D198 WeakPolarHBondContact CA-OD2 2.99Å; S195-D198 WeakPolarHBondContact CB-OD2 3.3Å; S195-D198 PolarHBondContact N-OD2 2.85Å; S195-D198 PolarHBondContact O-N 2.89Å; S195-D198 PolarHBondContact OG-N 2.89Å; S195-D198 PolarHBondContact OG-OD2 3.43Å; S195-L199 PolarHBondContact O-N 2.87Å
196E86Confident91.8Very high81 Ų8144.1 Ų44.138%0.37922%0.217SC..Hα-helixtrans-63.5-23171.3-65.1-168.6179.100113D198 L199 R200E196-D198 VanDerWaalsContact C-N 3.35Å; E196-L199 PolarHBondContact O-N 3.03Å; E196-R200 WeakPolarHBondContact O-CG 3.44Å; E196-R200 PolarHBondContact O-N 3.06Å
197A88Confident92.1Very high56 Ų5644.7 Ų44.746%0.46322%0.22SC..Hα-helixtrans-66.3-40.4174.900000110.9S195 L199 R200 V201S195-A197 PolarHBondContact O-N 3.33Å; S195-A197 PolarHBondContact OG-N 3.17Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.47Å; A197-R200 PolarHBondContact O-N 3.27Å; A197-V201 WeakPolarHBondContact O-CG2 3.4Å; A197-V201 PolarHBondContact O-N 2.94Å
198D92.5Very high92.3Very high12 Ų1248.6 Ų48.66%0.06424%0.244CC..Hα-helixtrans-63.3-42.4177.4-54.5-66.1000110.8S195 E196 R200 V201 A202 I238 R242S195-D198 WeakPolarHBondContact CA-OD2 2.99Å; S195-D198 WeakPolarHBondContact CB-OD2 3.3Å; S195-D198 PolarHBondContact N-OD2 2.85Å; S195-D198 PolarHBondContact O-N 2.89Å; S195-D198 PolarHBondContact OG-N 2.89Å; S195-D198 PolarHBondContact OG-OD2 3.43Å; E196-D198 VanDerWaalsContact C-N 3.35Å; D198-R200 PolarHBondContact O-N 3.19Å; D198-V201 PolarHBondContact O-N 3.3Å; D198-A202 VanDerWaalsContact O-CB 3.24Å; D198-A202 WeakPolarHBondContact O-CB 3.5Å; D198-A202 PolarHBondContact O-N 3.36Å; D198-I238 HydrophobicContact CB-CG2 4.12Å; D198-I238 WeakPolarHBondContact O-CG2 3.31Å; D198-R242 IonicContact OD1-CZ 3.35Å; D198-R242 IonicContact OD1-NE 3.32Å; D198-R242 PolarHBondContact OD1-NE 3.06Å; D198-R242 IonicContact OD1-NH2 3.05Å; D198-R242 PolarHBondContact OD1-NH2 3.33Å; D198-R242 IonicContact OD2-NE 2.68Å; D198-R242 IonicContact OD2-NH2 3.22Å
199L93.7Very high92.4Very high2 Ų253.5 Ų53.51%0.0126%0.263CS..Hα-helixtrans-59.2-45.6173.5170.667.7000112.2T147 T150 L170 N174 S195 E196 A197 A202 W203T147-L199 HydrophobicContact CG2-CD1 3.84Å; T147-L199 HydrophobicContact CG2-CD2 3.65Å; T147-L199 HydrophobicContact CG2-CG 4.37Å; T150-L199 HydrophobicContact CG2-CD2 4.46Å; L170-L199 HydrophobicContact CD2-CD1 4.13Å; L170-L199 HydrophobicContact CG-CD1 4.15Å; N174-L199 HydrophobicContact CB-CD1 4.11Å; S195-L199 PolarHBondContact O-N 2.87Å; E196-L199 PolarHBondContact O-N 3.03Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.47Å; L199-A202 PolarHBondContact O-N 2.75Å; L199-W203 WeakPolarHBondContact O-CB 3.29Å; L199-W203 PolarHBondContact O-N 3.15Å
200R93.9Very high92.5Very high126 Ų12653.2 Ų53.248%0.47526%0.261SS..Hα-helixtrans-63.7-46.2180-73.4174.1-172.6-128.62.4111.5I151 E196 A197 D198 W203 D204I151-R200 HydrophobicContact CD1-CG 3.94Å; E196-R200 WeakPolarHBondContact O-CG 3.44Å; E196-R200 PolarHBondContact O-N 3.06Å; A197-R200 PolarHBondContact O-N 3.27Å; D198-R200 PolarHBondContact O-N 3.19Å; R200-W203 PolarHBondContact O-N 3.12Å; R200-D204 PolarHBondContact O-N 3.04Å
201V94.7Very high92.7Very high77 Ų7752.3 Ų52.347%0.46726%0.26SS..Hα-helixtrans-64-42.5177176.60000110.7A197 D198 W203 D204 C205 I238A197-V201 WeakPolarHBondContact O-CG2 3.4Å; A197-V201 PolarHBondContact O-N 2.94Å; D198-V201 PolarHBondContact O-N 3.3Å; V201-W203 VanDerWaalsContact C-N 3.3Å; V201-W203 PolarHBondContact O-N 3.16Å; V201-D204 PolarHBondContact O-N 2.63Å; V201-C205 WeakPolarHBondContact O-CB 3.29Å; V201-C205 PolarHBondContact O-N 3.32Å; V201-C205 PolarHBondContact O-SG 2.92Å; V201-I238 HydrophobicContact CG1-CD1 4.04Å; V201-I238 HydrophobicContact CG1-CG1 4.29Å
202A96.4Very high92.9Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-58.5-43.317500000112.2L170 D198 L199 I206 L234 I238 Y239L170-A202 HydrophobicContact CD1-CB 3.7Å; L170-A202 HydrophobicContact CD2-CB 4.02Å; L170-A202 HydrophobicContact CG-CB 4.48Å; D198-A202 VanDerWaalsContact O-CB 3.24Å; D198-A202 WeakPolarHBondContact O-CB 3.5Å; D198-A202 PolarHBondContact O-N 3.36Å; L199-A202 PolarHBondContact O-N 2.75Å; A202-I206 WeakPolarHBondContact O-CG1 3.19Å; A202-I206 PolarHBondContact O-N 2.8Å; A202-I206 VanDerWaalsContact O-N 3.1Å; A202-L234 HydrophobicContact CB-CD2 3.68Å; A202-I238 VanDerWaalsContact CA-CD1 3.43Å; A202-I238 HydrophobicContact CB-CD1 3.97Å; A202-I238 HydrophobicContact CB-CG2 4.15Å; A202-Y239 HydrophobicContact CB-CE2 4.09Å
203W96.3Very high93Very high0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-66-50.9176.6178.7-116.4000111.7I151 R163 F167 L170 L199 R200 V201 C205 I206 D207I151-W203 HydrophobicContact CG2-CG 4.44Å; R163-W203 HydrophobicContact CG-CH2 3.6Å; R163-W203 HydrophobicContact CG-CZ2 4.03Å; F167-W203 HydrophobicContact CB-CE3 4.11Å; F167-W203 HydrophobicContact CB-CH2 3.69Å; F167-W203 HydrophobicContact CB-CZ2 4.38Å; F167-W203 HydrophobicContact CB-CZ3 3.55Å; F167-W203 AromaticContact CD2-CD2 3.59Å; F167-W203 HydrophobicContact CD2-CD2 3.59Å; F167-W203 AromaticContact CD2-CE3 3.47Å; F167-W203 HydrophobicContact CD2-CE3 3.47Å; F167-W203 VanDerWaalsContact CD2-CE3 3.47Å; F167-W203 HydrophobicContact CD2-CG 4.13Å; F167-W203 HydrophobicContact CD2-CH2 4.29Å; F167-W203 HydrophobicContact CD2-CZ2 4.43Å; F167-W203 AromaticContact CD2-CZ3 3.84Å; F167-W203 HydrophobicContact CD2-CZ3 3.84Å; F167-W203 HydrophobicContact CE2-CD2 4.18Å; F167-W203 HydrophobicContact CE2-CE3 4.38Å; F167-W203 HydrophobicContact CE2-CG 4.25Å; F167-W203 HydrophobicContact CG-CE3 4.25Å; F167-W203 HydrophobicContact CG-CH2 4.36Å; F167-W203 HydrophobicContact CG-CZ3 4.16Å; L170-W203 HydrophobicContact CD2-CB 3.8Å; L170-W203 HydrophobicContact CD2-CE3 4.1Å; L199-W203 WeakPolarHBondContact O-CB 3.29Å; L199-W203 PolarHBondContact O-N 3.15Å; R200-W203 PolarHBondContact O-N 3.12Å; V201-W203 VanDerWaalsContact C-N 3.3Å; V201-W203 PolarHBondContact O-N 3.16Å; W203-C205 PolarHBondContact O-N 3.27Å; W203-I206 HydrophobicContact CE3-CB 4.27Å; W203-I206 HydrophobicContact CE3-CG2 4.23Å; W203-I206 HydrophobicContact CZ3-CB 4.42Å; W203-I206 HydrophobicContact CZ3-CG2 3.88Å; W203-I206 PolarHBondContact O-N 2.91Å; W203-I206 VanDerWaalsContact O-N 3.08Å; W203-D207 HydrophobicContact CZ2-CB 4.37Å; W203-D207 WeakPolarHBondContact CZ2-OD1 3.31Å; W203-D207 VanDerWaalsContact O-CB 3.23Å; W203-D207 WeakPolarHBondContact O-CB 3.4Å; W203-D207 PolarHBondContact O-N 2.84Å
204D95.3Very high93.2Very high62 Ų6242.3 Ų42.333%0.33223%0.232SC..Hα-helixtrans-59-35.6-179.5-70.2-26.6000111.7K155 R200 V201 T208K155-D204 IonicContact NZ-OD1 3.49Å; K155-D204 PolarHBondContact NZ-OD1 3.44Å; K155-D204 IonicContact NZ-OD2 2.86Å; R200-D204 PolarHBondContact O-N 3.04Å; V201-D204 PolarHBondContact O-N 2.63Å; D204-T208 WeakPolarHBondContact O-CB 3.3Å; D204-T208 PolarHBondContact O-N 3.04Å; D204-T208 PolarHBondContact O-OG1 3.27Å
205C95.2Very high93.1Very high36 Ų3647.7 Ų47.724%0.24326%0.259CS..Hα-helixtrans-63.7-50.4172.2-74.30000112.6V201 W203 D207 T208 W209 L233 I238V201-C205 WeakPolarHBondContact O-CB 3.29Å; V201-C205 PolarHBondContact O-N 3.32Å; V201-C205 PolarHBondContact O-SG 2.92Å; W203-C205 PolarHBondContact O-N 3.27Å; C205-D207 VanDerWaalsContact C-N 3.33Å; C205-T208 PolarHBondContact O-N 3.47Å; C205-W209 VanDerWaalsContact O-CD1 3.23Å; C205-W209 PolarHBondContact O-N 2.92Å; C205-W209 VanDerWaalsContact O-N 3.14Å; C205-L233 HydrophobicContact CB-CD1 4.3Å; C205-I238 HydrophobicContact CB-CD1 4.33Å
206I95.5Very high93.1Very high3 Ų353.2 Ų53.22%0.01529%0.285CS..Hα-helixtrans-61.2-45.8177.6-73.3163.1000110.1L166 L170 A202 W203 T208 W209 V210 I230 L234 F260L166-I206 HydrophobicContact CB-CG2 4.36Å; L170-I206 HydrophobicContact CB-CD1 4.14Å; L170-I206 HydrophobicContact CD1-CD1 4.2Å; L170-I206 HydrophobicContact CD2-CD1 4.02Å; L170-I206 HydrophobicContact CG-CD1 4.34Å; A202-I206 WeakPolarHBondContact O-CG1 3.19Å; A202-I206 PolarHBondContact O-N 2.8Å; A202-I206 VanDerWaalsContact O-N 3.1Å; W203-I206 HydrophobicContact CE3-CB 4.27Å; W203-I206 HydrophobicContact CE3-CG2 4.23Å; W203-I206 HydrophobicContact CZ3-CB 4.42Å; W203-I206 HydrophobicContact CZ3-CG2 3.88Å; W203-I206 PolarHBondContact O-N 2.91Å; W203-I206 VanDerWaalsContact O-N 3.08Å; I206-T208 VanDerWaalsContact C-N 3.31Å; I206-T208 PolarHBondContact O-N 2.68Å; I206-W209 PolarHBondContact O-N 3.36Å; I206-V210 HydrophobicContact CG2-CG2 4.03Å; I206-V210 WeakPolarHBondContact O-CB 3.36Å; I206-V210 WeakPolarHBondContact O-CG2 3.47Å; I206-V210 PolarHBondContact O-N 3.29Å; I206-I230 HydrophobicContact CD1-CG2 4.17Å; I206-I230 HydrophobicContact CG1-CG1 4.35Å; I206-I230 HydrophobicContact CG1-CG2 3.85Å; I206-L234 HydrophobicContact CD1-CD1 4.31Å; I206-L234 HydrophobicContact CD1-CD2 4.36Å; I206-F260 HydrophobicContact CD1-CE1 3.91Å; I206-F260 HydrophobicContact CD1-CZ 4.32Å
207D94.8Very high93.3Very high22 Ų2255.1 Ų55.112%0.11829%0.289CS..Hα-helixtrans-55.4-45.7-179.6-161.759.1000111.3R163 W203 C205 V210 D211R163-D207 IonicContact CZ-OD1 3.57Å; R163-D207 PolarHBondContact NH1-O 3.49Å; R163-D207 IonicContact NH1-OD1 2.65Å; R163-D207 PolarHBondContact NH1-OD1 3.1Å; W203-D207 HydrophobicContact CZ2-CB 4.37Å; W203-D207 WeakPolarHBondContact CZ2-OD1 3.31Å; W203-D207 VanDerWaalsContact O-CB 3.23Å; W203-D207 WeakPolarHBondContact O-CB 3.4Å; W203-D207 PolarHBondContact O-N 2.84Å; C205-D207 VanDerWaalsContact C-N 3.33Å; D207-V210 PolarHBondContact O-N 3.34Å; D207-D211 PolarHBondContact O-N 2.89Å
208T95.3Very high93.4Very high83 Ų8355.5 Ų55.551%0.50929%0.292SS..Hα-helixtrans-64.2-44.9177.4-57.70000112.5D204 C205 I206 D211 T212D204-T208 WeakPolarHBondContact O-CB 3.3Å; D204-T208 PolarHBondContact O-N 3.04Å; D204-T208 PolarHBondContact O-OG1 3.27Å; C205-T208 PolarHBondContact O-N 3.47Å; I206-T208 VanDerWaalsContact C-N 3.31Å; I206-T208 PolarHBondContact O-N 2.68Å; T208-D211 PolarHBondContact O-N 3.28Å; T208-T212 WeakPolarHBondContact O-CB 3.27Å; T208-T212 PolarHBondContact O-N 3.24Å; T208-T212 PolarHBondContact O-OG1 3.46Å
209W95Very high93.3Very high104 Ų10459.3 Ų59.339%0.39431%0.313SS..Hα-helixtrans-67.7-36.6178.3-84.9110.5000112.5C205 I206 T212 A213 P226 A229C205-W209 VanDerWaalsContact O-CD1 3.23Å; C205-W209 PolarHBondContact O-N 2.92Å; C205-W209 VanDerWaalsContact O-N 3.14Å; I206-W209 PolarHBondContact O-N 3.36Å; W209-T212 PolarHBondContact O-N 2.97Å; W209-A213 WeakPolarHBondContact O-CB 3.42Å; W209-A213 PolarHBondContact O-N 3.33Å; W209-P226 HydrophobicContact CB-CG 3.8Å; W209-P226 HydrophobicContact CD2-CG 4.25Å; W209-P226 HydrophobicContact CE3-CB 4.1Å; W209-P226 HydrophobicContact CE3-CG 3.9Å; W209-P226 HydrophobicContact CG-CG 4.26Å; W209-A229 HydrophobicContact CD2-CB 4.06Å; W209-A229 HydrophobicContact CE3-CB 4.39Å; W209-A229 HydrophobicContact CH2-CB 4.12Å; W209-A229 HydrophobicContact CZ2-CB 3.77Å; W209-A229 HydrophobicContact CZ3-CB 4.41Å
210V94.3Very high93.2Very high0 Ų059.3 Ų59.30%031%0.312CS..Hα-helixtrans-67-44.5175.5172.60000110.6P160 L166 I206 D207 T212 A213 A214 L220P160-V210 VanDerWaalsContact CD-CG1 3.48Å; P160-V210 HydrophobicContact CG-CG1 3.63Å; L166-V210 HydrophobicContact CD1-CG2 3.41Å; L166-V210 VanDerWaalsContact CD1-CG2 3.41Å; I206-V210 HydrophobicContact CG2-CG2 4.03Å; I206-V210 WeakPolarHBondContact O-CB 3.36Å; I206-V210 WeakPolarHBondContact O-CG2 3.47Å; I206-V210 PolarHBondContact O-N 3.29Å; D207-V210 PolarHBondContact O-N 3.34Å; V210-T212 VanDerWaalsContact C-N 3.33Å; V210-T212 PolarHBondContact O-N 2.98Å; V210-A213 PolarHBondContact O-N 2.97Å; V210-A214 WeakPolarHBondContact O-CB 3.46Å; V210-A214 PolarHBondContact O-N 3.23Å; V210-L220 HydrophobicContact CG1-CD2 4.07Å
211D93.8Very high93.1Very high50 Ų5055.6 Ų55.627%0.26731%0.305SS..Hα-helixtrans-57.3-47.2174.5-84.9-9.8000111.5K158 R163 D207 T208 A213 A214 M215K158-D211 IonicContact NZ-OD1 3.93Å; K158-D211 PolarHBondContact NZ-OD1 3.26Å; K158-D211 IonicContact NZ-OD2 3.55Å; K158-D211 PolarHBondContact NZ-OD2 3.46Å; R163-D211 IonicContact CZ-OD1 3.26Å; R163-D211 IonicContact NH1-OD1 3.2Å; R163-D211 IonicContact NH2-OD1 3.22Å; R163-D211 PolarHBondContact NH2-OD1 3.01Å; D207-D211 PolarHBondContact O-N 2.89Å; T208-D211 PolarHBondContact O-N 3.28Å; D211-A213 PolarHBondContact O-N 3.2Å; D211-A214 PolarHBondContact O-N 3.34Å; D211-M215 PolarHBondContact O-N 3.22Å; D211-M215 VanDerWaalsContact O-N 3.14Å
212T93.6Very high92.9Very high89 Ų8953.1 Ų53.155%0.54629%0.29SS..Hα-helixtrans-62.2-41.8180-550000111.9T208 W209 V210T208-T212 WeakPolarHBondContact O-CB 3.27Å; T208-T212 PolarHBondContact O-N 3.24Å; T208-T212 PolarHBondContact O-OG1 3.46Å; W209-T212 PolarHBondContact O-N 2.97Å; V210-T212 VanDerWaalsContact C-N 3.33Å; V210-T212 PolarHBondContact O-N 2.98Å
213A93.4Very high92.7Very high26 Ų2660.4 Ų60.422%0.21532%0.324CS..Hα-helixtrans-76.9-34.2-179.300000113.3W209 V210 D211 L220W209-A213 WeakPolarHBondContact O-CB 3.42Å; W209-A213 PolarHBondContact O-N 3.33Å; V210-A213 PolarHBondContact O-N 2.97Å; D211-A213 PolarHBondContact O-N 3.2Å; A213-L220 HydrophobicContact CB-CD1 4.04Å; A213-L220 HydrophobicContact CB-CD2 4.17Å
214A91.9Very high92.6Very high3 Ų366.3 Ų66.33%0.02535%0.35CS..Hα-helixtrans-72.3-32.9-179.300000112.3P160 V210 D211 D216 R217P160-A214 HydrophobicContact CB-CB 4.43Å; P160-A214 HydrophobicContact CG-CB 4.15Å; V210-A214 WeakPolarHBondContact O-CB 3.46Å; V210-A214 PolarHBondContact O-N 3.23Å; D211-A214 PolarHBondContact O-N 3.34Å; A214-D216 VanDerWaalsContact C-N 3.31Å; A214-D216 PolarHBondContact O-N 3.44Å; A214-R217 WeakPolarHBondContact O-CB 3.38Å; A214-R217 WeakPolarHBondContact O-CD 3.29Å; A214-R217 WeakPolarHBondContact O-CG 3.43Å; A214-R217 PolarHBondContact O-N 2.88Å
215M89.4Confident92.6Very high131 Ų13163.6 Ų63.665%0.64534%0.335SS*.THydrogen-bonded Turntrans50.650-176-57.9175.617400111.7D211 R217D211-M215 PolarHBondContact O-N 3.22Å; D211-M215 VanDerWaalsContact O-N 3.14Å; M215-R217 PolarHBondContact O-N 3.28Å
216D85.5Confident92.6Very high154 Ų15463.2 Ų63.282%0.82433%0.333SS*.THydrogen-bonded Turntrans58.414.6-176.4-60.9-49.8000116.1A214A214-D216 VanDerWaalsContact C-N 3.31Å; A214-D216 PolarHBondContact O-N 3.44Å
217R90Very high92.6Very high122 Ų12264.3 Ų64.346%0.4634%0.337SS..  trans-73147172.7-63.1173-167.11466.7111.1A214 M215 N219A214-R217 WeakPolarHBondContact O-CB 3.38Å; A214-R217 WeakPolarHBondContact O-CD 3.29Å; A214-R217 WeakPolarHBondContact O-CG 3.43Å; A214-R217 PolarHBondContact O-N 2.88Å; M215-R217 PolarHBondContact O-N 3.28Å; R217-N219 VanDerWaalsContact C-N 3.25Å; R217-N219 PolarHBondContact O-N 3.18Å
218A90.3Very high92.7Very high63 Ų6365.1 Ų65.152%0.52135%0.35SS..SBendtrans-65.9-26.9176.700000113.5P160 T161P160-A218 CarbonylContact C-O 3.54Å; P160-A218 VanDerWaalsContact CA-O 3.23Å; P160-A218 WeakPolarHBondContact CA-O 3.37Å; T161-A218 PolarHBondContact N-O 2.96Å; T161-A218 PolarHBondContact OG1-O 3.31Å; T161-A218 VanDerWaalsContact OG1-O 3.11Å
219N90.9Very high92.7Very high93 Ų9362.4 Ų62.450%0.49734%0.336SS..  trans-130.8140.3-177.7-56.8-40.3000110.1T161 R217T161-N219 PolarHBondContact OG1-OD1 3.19Å; R217-N219 VanDerWaalsContact C-N 3.25Å; R217-N219 PolarHBondContact O-N 3.18Å
220L92Very high92.8Very high1 Ų157.6 Ų57.61%0.00532%0.318CS..  trans-122.8103.9174.7176.262.8000108P160 E162 V210 A213 K224 V225P160-L220 HydrophobicContact CB-CB 3.81Å; P160-L220 HydrophobicContact CG-CB 3.67Å; P160-L220 HydrophobicContact CG-CD2 4.29Å; E162-L220 WeakPolarHBondContact CG-O 3.35Å; E162-L220 PolarHBondContact OE2-N 3.31Å; V210-L220 HydrophobicContact CG1-CD2 4.07Å; A213-L220 HydrophobicContact CB-CD1 4.04Å; A213-L220 HydrophobicContact CB-CD2 4.17Å; L220-K224 HydrophobicContact CD1-CB 3.77Å; L220-V225 HydrophobicContact CD2-CG2 3.86Å; L220-V225 HydrophobicContact CG-CG2 4.06Å
221P91.2Very high92.9Very high48 Ų4861.7 Ų61.731%0.31233%0.333SS..  trans-59.1140.1-179.324.9-33.9000110.1E223 K224P221-E223 PolarHBondContact O-N 3.16Å; P221-K224 HydrophobicContact CG-CB 4.02Å; P221-K224 HydrophobicContact CG-CD 3.6Å; P221-K224 HydrophobicContact CG-CG 3.75Å; P221-K224 PolarHBondContact O-N 3.47Å
222P90.5Very high93.1Very high25 Ų2563.1 Ų63.116%0.16234%0.344CS..G310 helixtrans-52.9-31.2-174.4-29.336.6000114.2K224 V225 W227 F265P222-K224 VanDerWaalsContact C-N 3.27Å; P222-K224 PolarHBondContact O-N 2.91Å; P222-V225 WeakPolarHBondContact O-CB 3.47Å; P222-V225 PolarHBondContact O-N 3.41Å; P222-W227 PolarHBondContact O-NE1 3.15Å; P222-F265 HydrophobicContact CB-CB 4.17Å; P222-F265 HydrophobicContact CB-CD2 3.73Å; P222-F265 HydrophobicContact CB-CE2 4.26Å; P222-F265 HydrophobicContact CB-CG 3.93Å; P222-F265 HydrophobicContact CG-CB 3.71Å; P222-F265 HydrophobicContact CG-CD1 3.91Å; P222-F265 HydrophobicContact CG-CD2 3.89Å; P222-F265 HydrophobicContact CG-CE2 4.48Å; P222-F265 HydrophobicContact CG-CG 3.56Å
223E92.3Very high93.3Very high153 Ų15361.2 Ų61.272%0.71533%0.33SS*.G310 helixtrans-70.4-23.4179.7-55.175-162.100112.7P221P221-E223 PolarHBondContact O-N 3.16Å
224K93.6Very high93.5Very high124 Ų12460 Ų6054%0.53932%0.321SS..G310 helixtrans-89.9-6.4177.4-68.2-171.9-173178.80113.3L220 P221 P222L220-K224 HydrophobicContact CD1-CB 3.77Å; P221-K224 HydrophobicContact CG-CB 4.02Å; P221-K224 HydrophobicContact CG-CD 3.6Å; P221-K224 HydrophobicContact CG-CG 3.75Å; P221-K224 PolarHBondContact O-N 3.47Å; P222-K224 VanDerWaalsContact C-N 3.27Å; P222-K224 PolarHBondContact O-N 2.91Å
225V95.2Very high93.7Very high5 Ų560.3 Ų60.33%0.0332%0.322CS..SBendtrans-65.6131.3172.7176.50000108.4L166 L220 P222 W227 I230L166-V225 HydrophobicContact CD2-CG1 4.36Å; L220-V225 HydrophobicContact CD2-CG2 3.86Å; L220-V225 HydrophobicContact CG-CG2 4.06Å; P222-V225 WeakPolarHBondContact O-CB 3.47Å; P222-V225 PolarHBondContact O-N 3.41Å; V225-W227 HydrophobicContact CB-CD2 4.12Å; V225-W227 HydrophobicContact CB-CZ2 3.88Å; V225-W227 HydrophobicContact CG1-CD2 3.8Å; V225-W227 HydrophobicContact CG1-CE3 3.95Å; V225-W227 HydrophobicContact CG1-CG 4.41Å; V225-W227 HydrophobicContact CG1-CH2 4.15Å; V225-W227 HydrophobicContact CG1-CZ2 3.93Å; V225-W227 HydrophobicContact CG1-CZ3 4.12Å; V225-W227 HydrophobicContact CG2-CZ2 4.24Å; V225-W227 PolarHBondContact O-N 3.44Å; V225-I230 HydrophobicContact CG1-CD1 3.75Å
226P95.6Very high93.9Very high29 Ų2959.1 Ų59.119%0.18832%0.315CS..  trans-76.266.1-177.831.8-36.6000111.9W209 G228 A229 I230W209-P226 HydrophobicContact CB-CG 3.8Å; W209-P226 HydrophobicContact CD2-CG 4.25Å; W209-P226 HydrophobicContact CE3-CB 4.1Å; W209-P226 HydrophobicContact CE3-CG 3.9Å; W209-P226 HydrophobicContact CG-CG 4.26Å; P226-G228 VanDerWaalsContact C-N 3.29Å; P226-G228 PolarHBondContact O-N 3.16Å; P226-A229 HydrophobicContact CB-CB 4.35Å; P226-A229 PolarHBondContact O-N 3.08Å; P226-A229 VanDerWaalsContact O-N 3.11Å; P226-I230 HydrophobicContact CG-CD1 4.46Å; P226-I230 PolarHBondContact O-N 2.95Å; P226-I230 VanDerWaalsContact O-N 3.08Å
227W96.8Very high94.4Very high26 Ų2655.6 Ų55.610%0.09830%0.301CS..Hα-helixtrans-55.7-38.6-175.2-62.6112.9000113.8L166 P222 V225 R231 F260 T261 F265L166-W227 HydrophobicContact CD2-CH2 3.79Å; L166-W227 HydrophobicContact CD2-CZ3 3.98Å; P222-W227 PolarHBondContact O-NE1 3.15Å; V225-W227 HydrophobicContact CB-CD2 4.12Å; V225-W227 HydrophobicContact CB-CZ2 3.88Å; V225-W227 HydrophobicContact CG1-CD2 3.8Å; V225-W227 HydrophobicContact CG1-CE3 3.95Å; V225-W227 HydrophobicContact CG1-CG 4.41Å; V225-W227 HydrophobicContact CG1-CH2 4.15Å; V225-W227 HydrophobicContact CG1-CZ2 3.93Å; V225-W227 HydrophobicContact CG1-CZ3 4.12Å; V225-W227 HydrophobicContact CG2-CZ2 4.24Å; V225-W227 PolarHBondContact O-N 3.44Å; W227-R231 VanDerWaalsContact O-CB 3.29Å; W227-R231 WeakPolarHBondContact O-CB 3.27Å; W227-R231 WeakPolarHBondContact O-CG 3.36Å; W227-R231 PolarHBondContact O-N 3.48Å; W227-R231 PolarHBondContact O-NE 3.29Å; W227-F260 HydrophobicContact CE3-CB 3.86Å; W227-F260 VanDerWaalsContact CZ3-C 3.46Å; W227-F260 HydrophobicContact CZ3-CB 3.9Å; W227-F260 HydrophobicContact CZ3-CD1 4.06Å; W227-F260 HydrophobicContact CZ3-CG 4.45Å; W227-T261 WeakPolarHBondContact CH2-O 3.34Å; W227-T261 VanDerWaalsContact CZ2-C 3.49Å; W227-T261 WeakPolarHBondContact CZ2-O 3.17Å; W227-F265 HydrophobicContact CH2-CD2 4.17Å; W227-F265 AromaticContact CH2-CE2 3.62Å; W227-F265 HydrophobicContact CH2-CE2 3.62Å; W227-F265 HydrophobicContact CZ2-CD2 4.06Å; W227-F265 AromaticContact CZ2-CE2 3.71Å; W227-F265 HydrophobicContact CZ2-CE2 3.71Å
228G95.7Very high94.6Very high38 Ų3850.3 Ų50.339%0.39228%0.282SS..Hα-helixtrans-61-44.6177.700000112.5P226 T232P226-G228 VanDerWaalsContact C-N 3.29Å; P226-G228 PolarHBondContact O-N 3.16Å; G228-T232 WeakPolarHBondContact O-CB 3.23Å; G228-T232 PolarHBondContact O-N 2.88Å; G228-T232 PolarHBondContact O-OG1 3.34Å
229A95.2Very high94.9Very high27 Ų2747.3 Ų47.322%0.22326%0.258CS..Hα-helixtrans-68.2-46.8178.900000111.4W209 P226 R231 T232 L233W209-A229 HydrophobicContact CD2-CB 4.06Å; W209-A229 HydrophobicContact CE3-CB 4.39Å; W209-A229 HydrophobicContact CH2-CB 4.12Å; W209-A229 HydrophobicContact CZ2-CB 3.77Å; W209-A229 HydrophobicContact CZ3-CB 4.41Å; P226-A229 HydrophobicContact CB-CB 4.35Å; P226-A229 PolarHBondContact O-N 3.08Å; P226-A229 VanDerWaalsContact O-N 3.11Å; A229-R231 PolarHBondContact O-N 3.38Å; A229-T232 PolarHBondContact O-N 3.49Å; A229-L233 WeakPolarHBondContact O-CG 3.46Å; A229-L233 PolarHBondContact O-N 2.87Å
230I97.2Very high95.1Very high2 Ų243.2 Ų43.21%0.0124%0.237CC..Hα-helixtrans-58.4-50.8178.1-66.4171000110.4I206 V225 P226 T232 L233 L234 F260I206-I230 HydrophobicContact CD1-CG2 4.17Å; I206-I230 HydrophobicContact CG1-CG1 4.35Å; I206-I230 HydrophobicContact CG1-CG2 3.85Å; V225-I230 HydrophobicContact CG1-CD1 3.75Å; P226-I230 HydrophobicContact CG-CD1 4.46Å; P226-I230 PolarHBondContact O-N 2.95Å; P226-I230 VanDerWaalsContact O-N 3.08Å; I230-T232 VanDerWaalsContact C-N 3.34Å; I230-T232 PolarHBondContact O-N 2.84Å; I230-L233 PolarHBondContact O-N 2.94Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.33Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.36Å; I230-F260 HydrophobicContact CG2-CD1 3.6Å; I230-F260 HydrophobicContact CG2-CE1 3.96Å; I230-F260 HydrophobicContact CG2-CG 4.25Å
231R97.9Very high95.2Very high86 Ų8645.7 Ų45.733%0.32526%0.263SS..Hα-helixtrans-59.3-45.9179.7-71.5-175.5-69.8-178.5-0.5111.5W227 A229 L233 S235 I256 F260W227-R231 VanDerWaalsContact O-CB 3.29Å; W227-R231 WeakPolarHBondContact O-CB 3.27Å; W227-R231 WeakPolarHBondContact O-CG 3.36Å; W227-R231 PolarHBondContact O-N 3.48Å; W227-R231 PolarHBondContact O-NE 3.29Å; A229-R231 PolarHBondContact O-N 3.38Å; R231-L233 PolarHBondContact O-N 3.19Å; R231-S235 WeakPolarHBondContact O-CB 3.22Å; R231-S235 PolarHBondContact O-N 3.41Å; R231-I256 HydrophobicContact CB-CG2 3.75Å; R231-I256 HydrophobicContact CG-CG2 3.62Å; R231-F260 WeakPolarHBondContact CD-O 3.48Å; R231-F260 HydrophobicContact CG-CB 3.86Å
232T97.3Very high95.2Very high81 Ų8148.9 Ų48.950%0.49727%0.269SS..Hα-helixtrans-62.4-43.8-179.9-55.70000112G228 A229 I230 S235 Q236G228-T232 WeakPolarHBondContact O-CB 3.23Å; G228-T232 PolarHBondContact O-N 2.88Å; G228-T232 PolarHBondContact O-OG1 3.34Å; A229-T232 PolarHBondContact O-N 3.49Å; I230-T232 VanDerWaalsContact C-N 3.34Å; I230-T232 PolarHBondContact O-N 2.84Å; T232-S235 PolarHBondContact O-N 3.45Å; T232-Q236 HydrophobicContact CG2-CG 4.26Å; T232-Q236 WeakPolarHBondContact O-CB 3.36Å; T232-Q236 PolarHBondContact O-N 3.49Å
233L96.6Very high95.4Very high48 Ų4848.8 Ų48.825%0.25127%0.266SS..Iπ-helixtrans-66.1-46.1179.8-73.1171.8000112.4C205 A229 I230 R231 S235 C237 I238C205-L233 HydrophobicContact CB-CD1 4.3Å; A229-L233 WeakPolarHBondContact O-CG 3.46Å; A229-L233 PolarHBondContact O-N 2.87Å; I230-L233 PolarHBondContact O-N 2.94Å; R231-L233 PolarHBondContact O-N 3.19Å; L233-S235 VanDerWaalsContact C-N 3.34Å; L233-C237 WeakPolarHBondContact O-CB 3.36Å; L233-C237 PolarHBondContact O-N 3.35Å; L233-C237 VanDerWaalsContact O-N 3.1Å; L233-I238 PolarHBondContact O-N 2.82Å
234L97.7Very high95.4Very high2 Ų246.7 Ų46.71%0.0126%0.26CS..Iπ-helixtrans-63.4-43.4177-65176.8000111.3L170 L173 A202 I206 I230 I238 Y239 I256 F260L170-L234 HydrophobicContact CD1-CD2 4.03Å; L173-L234 HydrophobicContact CD2-CD1 4.18Å; A202-L234 HydrophobicContact CB-CD2 3.68Å; I206-L234 HydrophobicContact CD1-CD1 4.31Å; I206-L234 HydrophobicContact CD1-CD2 4.36Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.33Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.36Å; L234-I238 HydrophobicContact CD2-CD1 4.41Å; L234-Y239 HydrophobicContact CB-CD2 4.47Å; L234-Y239 HydrophobicContact CD2-CD2 4.23Å; L234-Y239 HydrophobicContact CD2-CE2 4.03Å; L234-Y239 WeakPolarHBondContact O-CB 3.44Å; L234-Y239 PolarHBondContact O-N 3Å; L234-I256 HydrophobicContact CB-CD1 3.73Å; L234-I256 HydrophobicContact CB-CG1 4.4Å; L234-F260 HydrophobicContact CD1-CD1 4.28Å; L234-F260 HydrophobicContact CD1-CD2 3.97Å; L234-F260 HydrophobicContact CD1-CE1 3.9Å; L234-F260 HydrophobicContact CD1-CE2 3.57Å; L234-F260 HydrophobicContact CD1-CG 4.31Å; L234-F260 HydrophobicContact CD1-CZ 3.52Å
235S96.6Very high95.3Very high9 Ų941.7 Ų41.76%0.06324%0.24CC..Iπ-helixtrans-71.9-47.6-176.2164.10000112.7R231 T232 L233 G240 Q249 D253R231-S235 WeakPolarHBondContact O-CB 3.22Å; R231-S235 PolarHBondContact O-N 3.41Å; T232-S235 PolarHBondContact O-N 3.45Å; L233-S235 VanDerWaalsContact C-N 3.34Å; S235-G240 WeakPolarHBondContact O-CA 3.4Å; S235-G240 PolarHBondContact O-N 2.83Å; S235-Q249 PolarHBondContact O-NE2 2.96Å; S235-Q249 PolarHBondContact OG-NE2 3.22Å; S235-Q249 VanDerWaalsContact OG-NE2 3.17Å; S235-D253 WeakPolarHBondContact CB-OD1 3.47Å; S235-D253 PolarHBondContact OG-OD1 2.96Å
236Q95Very high95.2Very high106 Ų10646.6 Ų46.650%0.49526%0.26SS..Iπ-helixtrans-103.8-27-167.3-59.6-62.7-5000113.4T232T232-Q236 HydrophobicContact CG2-CG 4.26Å; T232-Q236 WeakPolarHBondContact O-CB 3.36Å; T232-Q236 PolarHBondContact O-N 3.49Å
237C94.4Very high95.2Very high79 Ų7945.7 Ų45.753%0.53425%0.254SS..Iπ-helixtrans-105-49.9-172.8-56.50000112.1L233L233-C237 WeakPolarHBondContact O-CB 3.36Å; L233-C237 PolarHBondContact O-N 3.35Å; L233-C237 VanDerWaalsContact O-N 3.1Å
238I95.1Very high95.1Very high12 Ų1244.8 Ų44.86%0.06225%0.251CS..Iπ-helixtrans-91.6-70.5-166.3-54.3176.1000111.3D198 V201 A202 C205 L233 L234D198-I238 HydrophobicContact CB-CG2 4.12Å; D198-I238 WeakPolarHBondContact O-CG2 3.31Å; V201-I238 HydrophobicContact CG1-CD1 4.04Å; V201-I238 HydrophobicContact CG1-CG1 4.29Å; A202-I238 VanDerWaalsContact CA-CD1 3.43Å; A202-I238 HydrophobicContact CB-CD1 3.97Å; A202-I238 HydrophobicContact CB-CG2 4.15Å; C205-I238 HydrophobicContact CB-CD1 4.33Å; L233-I238 PolarHBondContact O-N 2.82Å; L234-I238 HydrophobicContact CD2-CD1 4.41Å
239Y96.8Very high95.1Very high0 Ų044.5 Ų44.50%024%0.239CC..SBendtrans-79.2-45.6-179.8-67.4-77.2000110.9L170 L173 N174 V177 F194 A202 L234 G241 R242L170-Y239 HydrophobicContact CD1-CE2 4.15Å; L173-Y239 HydrophobicContact CD2-CD2 4.2Å; L173-Y239 HydrophobicContact CD2-CE2 4.04Å; N174-Y239 PolarHBondContact OD1-OH 3.35Å; V177-Y239 HydrophobicContact CG1-CD1 4.12Å; V177-Y239 HydrophobicContact CG1-CE1 4.47Å; F194-Y239 AromaticContact CD1-CD1 3.73Å; F194-Y239 HydrophobicContact CD1-CD1 3.73Å; F194-Y239 HydrophobicContact CD1-CE1 4.45Å; F194-Y239 HydrophobicContact CE1-CD1 4.05Å; A202-Y239 HydrophobicContact CB-CE2 4.09Å; L234-Y239 HydrophobicContact CB-CD2 4.47Å; L234-Y239 HydrophobicContact CD2-CD2 4.23Å; L234-Y239 HydrophobicContact CD2-CE2 4.03Å; L234-Y239 WeakPolarHBondContact O-CB 3.44Å; L234-Y239 PolarHBondContact O-N 3Å; Y239-G241 VanDerWaalsContact C-N 3.28Å; Y239-G241 PolarHBondContact O-N 3.48Å; Y239-R242 WeakPolarHBondContact O-CB 3.44Å; Y239-R242 PolarHBondContact O-N 3.18Å; Y239-R242 VanDerWaalsContact O-N 3.14Å
240G95.2Very high95.1Very high6 Ų646 Ų466%0.06224%0.242CC..G310 helixtrans-74.4-16.2178.400000114.7S235 R242 L243 Q249 L252S235-G240 WeakPolarHBondContact O-CA 3.4Å; S235-G240 PolarHBondContact O-N 2.83Å; G240-R242 PolarHBondContact O-N 3.4Å; G240-R242 VanDerWaalsContact O-N 3.09Å; G240-L243 PolarHBondContact O-N 3.09Å; G240-Q249 VanDerWaalsContact CA-OE1 3.31Å; G240-L252 VanDerWaalsContact N-CD2 3.3Å
241G93.8Very high95Very high53 Ų5346.1 Ų46.155%0.54624%0.243SC..G310 helixtrans-60.6-17.3167.400000113.4Y239Y239-G241 VanDerWaalsContact C-N 3.28Å; Y239-G241 PolarHBondContact O-N 3.48Å
242R91.8Very high95Very high116 Ų11642 Ų4244%0.43823%0.227SC..G310 helixtrans-90.1-15.2173.9-53.5-62.3-175.6170.22113.4Y192 F194 D198 Y239 G240Y192-R242 WeakPolarHBondContact CD1-O 3.47Å; F194-R242 HydrophobicContact CD1-CG 4.31Å; F194-R242 HydrophobicContact CE1-CB 4.05Å; F194-R242 HydrophobicContact CE1-CG 4.27Å; D198-R242 IonicContact OD1-CZ 3.35Å; D198-R242 IonicContact OD1-NE 3.32Å; D198-R242 PolarHBondContact OD1-NE 3.06Å; D198-R242 IonicContact OD1-NH2 3.05Å; D198-R242 PolarHBondContact OD1-NH2 3.33Å; D198-R242 IonicContact OD2-NE 2.68Å; D198-R242 IonicContact OD2-NH2 3.22Å; Y239-R242 WeakPolarHBondContact O-CB 3.44Å; Y239-R242 PolarHBondContact O-N 3.18Å; Y239-R242 VanDerWaalsContact O-N 3.14Å; G240-R242 PolarHBondContact O-N 3.4Å; G240-R242 VanDerWaalsContact O-N 3.09Å
243L94.4Very high94.9Very high22 Ų2239.7 Ų39.712%0.11521%0.212CC..  trans-91.6132.7-172.4-59.8-179.4000110.5W188 Y192 F194 G240 D248 L252W188-L243 HydrophobicContact CZ3-CD1 4.49Å; Y192-L243 HydrophobicContact CD1-CD2 3.95Å; Y192-L243 HydrophobicContact CD2-CD2 3.43Å; Y192-L243 VanDerWaalsContact CD2-CD2 3.43Å; Y192-L243 HydrophobicContact CE1-CD2 3.9Å; Y192-L243 HydrophobicContact CE2-CD2 3.36Å; Y192-L243 HydrophobicContact CG-CD2 3.73Å; F194-L243 HydrophobicContact CZ-CD2 3.99Å; G240-L243 PolarHBondContact O-N 3.09Å; L243-D248 HydrophobicContact CD1-CB 4.35Å; L243-D248 HydrophobicContact CD2-CB 4.17Å; L243-L252 HydrophobicContact CD1-CB 3.86Å; L243-L252 HydrophobicContact CD1-CD2 3.65Å; L243-L252 HydrophobicContact CD1-CG 4.37Å
244D91.8Very high94.9Very high110 Ų11038 Ų3859%0.58820%0.204SC*.  trans-1143.417670.9-1.9000112.9K190 Y192K190-D244 IonicContact NZ-OD1 2.75Å; K190-D244 PolarHBondContact NZ-OD1 3.19Å; K190-D244 IonicContact NZ-OD2 2.6Å; K190-D244 PolarHBondContact NZ-OD2 3.45Å; Y192-D244 PolarHBondContact OH-OD1 3.12Å
245N92.1Very high94.8Very high19 Ų1938.6 Ų38.610%0.10221%0.206CC..  trans-116125.6179.1-173.1-31.5000110.8T189 Y192 F247 D248 Q249 Y594T189-N245 WeakPolarHBondContact CG2-ND2 3.27Å; T189-N245 PolarHBondContact OG1-ND2 2.9Å; Y192-N245 WeakPolarHBondContact OH-CB 3.34Å; N245-F247 VanDerWaalsContact C-N 3.25Å; N245-F247 PolarHBondContact O-N 3.4Å; N245-F247 PolarHBondContact OD1-N 2.78Å; N245-D248 HydrophobicContact CB-CB 4.15Å; N245-D248 WeakPolarHBondContact CB-OD2 3.42Å; N245-D248 PolarHBondContact O-N 3.43Å; N245-Q249 PolarHBondContact O-N 3.41Å; N245-Y594 PolarHBondContact ND2-OH 3.49Å
246K93.4Very high94.8Very high107 Ų10738.2 Ų38.247%0.46520%0.204SC..Hα-helixtrans-57.1-34.6179.471.1177.4-171.1170.40113.7Q249 M250 S605K246-Q249 WeakPolarHBondContact O-CB 3.29Å; K246-Q249 PolarHBondContact O-N 3.46Å; K246-M250 VanDerWaalsContact O-CG 3.27Å; K246-M250 WeakPolarHBondContact O-CG 3.43Å; K246-M250 PolarHBondContact O-N 3.09Å; K246-S605 PolarHBondContact NZ-OG 3.09Å
247F94Very high94.8Very high11 Ų1139.2 Ų39.25%0.04821%0.207CC..Hα-helixtrans-77.8-32.9-178.8-69.7-73000112.4N245 Q249 M250 L251 N590 P592 L602N245-F247 VanDerWaalsContact C-N 3.25Å; N245-F247 PolarHBondContact O-N 3.4Å; N245-F247 PolarHBondContact OD1-N 2.78Å; F247-Q249 VanDerWaalsContact C-N 3.32Å; F247-M250 HydrophobicContact CD1-SD 4.1Å; F247-M250 HydrophobicContact CE1-SD 4.38Å; F247-M250 PolarHBondContact O-N 2.69Å; F247-L251 WeakPolarHBondContact O-CB 3.47Å; F247-L251 PolarHBondContact O-N 3.01Å; F247-N590 WeakPolarHBondContact CE1-O 3.33Å; F247-N590 VanDerWaalsContact CE1-OD1 3.31Å; F247-N590 WeakPolarHBondContact CE1-OD1 3.37Å; F247-N590 WeakPolarHBondContact CZ-OD1 3.31Å; F247-P592 HydrophobicContact CB-CG 4.46Å; F247-P592 HydrophobicContact CD1-CB 4.39Å; F247-P592 HydrophobicContact CD1-CG 4.09Å; F247-P592 HydrophobicContact CD2-CB 3.57Å; F247-P592 HydrophobicContact CD2-CG 3.99Å; F247-P592 HydrophobicContact CE1-CB 4.3Å; F247-P592 HydrophobicContact CE1-CG 4.3Å; F247-P592 HydrophobicContact CE2-CB 3.43Å; F247-P592 VanDerWaalsContact CE2-CB 3.43Å; F247-P592 HydrophobicContact CE2-CG 4.17Å; F247-P592 HydrophobicContact CG-CB 4.03Å; F247-P592 HydrophobicContact CG-CG 3.91Å; F247-P592 HydrophobicContact CZ-CB 3.82Å; F247-P592 HydrophobicContact CZ-CG 4.31Å; F247-L602 HydrophobicContact CD2-CD1 4.42Å; F247-L602 HydrophobicContact CD2-CD2 4.27Å; F247-L602 HydrophobicContact CE2-CD1 3.97Å; F247-L602 HydrophobicContact CE2-CD2 3.98Å
248D95.6Very high94.8Very high7 Ų738 Ų384%0.03719%0.192CC..Hα-helixtrans-67.5-38.1169.5-69.2-36.3000110.1W188 T189 Y192 L243 N245 L251 L252W188-D248 HydrophobicContact CE3-CB 3.82Å; W188-D248 HydrophobicContact CZ3-CB 4.02Å; W188-D248 WeakPolarHBondContact CZ3-O 3.37Å; T189-D248 WeakPolarHBondContact CB-OD2 3.44Å; T189-D248 PolarHBondContact N-OD1 2.91Å; T189-D248 VanDerWaalsContact N-OD1 3.11Å; T189-D248 PolarHBondContact N-OD2 3.48Å; T189-D248 PolarHBondContact OG1-OD2 3.43Å; Y192-D248 HydrophobicContact CE2-CB 4.09Å; Y192-D248 WeakPolarHBondContact CE2-OD2 3.49Å; Y192-D248 VanDerWaalsContact CZ-OD2 3.32Å; Y192-D248 PolarHBondContact OH-OD2 2.9Å; L243-D248 HydrophobicContact CD1-CB 4.35Å; L243-D248 HydrophobicContact CD2-CB 4.17Å; N245-D248 HydrophobicContact CB-CB 4.15Å; N245-D248 WeakPolarHBondContact CB-OD2 3.42Å; N245-D248 PolarHBondContact O-N 3.43Å; D248-L251 WeakPolarHBondContact O-CB 3.45Å; D248-L251 PolarHBondContact O-N 2.71Å; D248-L252 PolarHBondContact O-N 3.03Å
249Q96.1Very high94.9Very high31 Ų3137.7 Ų37.715%0.14519%0.191CC..Hα-helixtrans-60.5-46.2173-175.562.953.500111.8S235 G240 N245 K246 F247 L251 L252 D253S235-Q249 PolarHBondContact O-NE2 2.96Å; S235-Q249 PolarHBondContact OG-NE2 3.22Å; S235-Q249 VanDerWaalsContact OG-NE2 3.17Å; G240-Q249 VanDerWaalsContact CA-OE1 3.31Å; N245-Q249 PolarHBondContact O-N 3.41Å; K246-Q249 WeakPolarHBondContact O-CB 3.29Å; K246-Q249 PolarHBondContact O-N 3.46Å; F247-Q249 VanDerWaalsContact C-N 3.32Å; Q249-L251 VanDerWaalsContact C-N 3.31Å; Q249-L251 PolarHBondContact O-N 2.93Å; Q249-L252 PolarHBondContact O-N 3.43Å; Q249-D253 PolarHBondContact NE2-OD1 2.99Å; Q249-D253 PolarHBondContact O-N 2.87Å
250M94.4Very high94.8Very high59 Ų5937.7 Ų37.729%0.29119%0.191SC..Hα-helixtrans-60.1-41.7176.1-70.9173.175.100112K246 F247 D253 C254 Y621K246-M250 VanDerWaalsContact O-CG 3.27Å; K246-M250 WeakPolarHBondContact O-CG 3.43Å; K246-M250 PolarHBondContact O-N 3.09Å; F247-M250 HydrophobicContact CD1-SD 4.1Å; F247-M250 HydrophobicContact CE1-SD 4.38Å; F247-M250 PolarHBondContact O-N 2.69Å; M250-D253 WeakPolarHBondContact O-CB 3.27Å; M250-D253 PolarHBondContact O-N 2.8Å; M250-C254 PolarHBondContact O-N 2.87Å; M250-C254 PolarHBondContact O-SG 3.3Å; M250-Y621 HydrophobicContact CE-CE1 3.7Å; M250-Y621 HydrophobicContact CE-CE2 3.83Å; M250-Y621 WeakPolarHBondContact CE-OH 3.16Å; M250-Y621 HydrophobicContact SD-CE1 4.48Å
251L95.5Very high94.8Very high5 Ų539.3 Ų39.33%0.02620%0.199CC..Hα-helixtrans-60.7-47.4174.6168.159.8000112.2R180 G187 W188 F247 D248 Q249 D253 C254 F255 Y621R180-L251 VanDerWaalsContact NH2-CD2 3.26Å; G187-L251 WeakPolarHBondContact O-CD2 3.43Å; W188-L251 HydrophobicContact CD2-CD2 4.47Å; W188-L251 HydrophobicContact CE3-CD2 3.74Å; W188-L251 HydrophobicContact CE3-CG 4.5Å; W188-L251 HydrophobicContact CH2-CD2 4.12Å; W188-L251 HydrophobicContact CH2-CG 4.12Å; W188-L251 HydrophobicContact CZ3-CB 4.23Å; W188-L251 HydrophobicContact CZ3-CD2 3.54Å; W188-L251 HydrophobicContact CZ3-CG 3.81Å; F247-L251 WeakPolarHBondContact O-CB 3.47Å; F247-L251 PolarHBondContact O-N 3.01Å; D248-L251 WeakPolarHBondContact O-CB 3.45Å; D248-L251 PolarHBondContact O-N 2.71Å; Q249-L251 VanDerWaalsContact C-N 3.31Å; Q249-L251 PolarHBondContact O-N 2.93Å; L251-D253 VanDerWaalsContact C-N 3.28Å; L251-D253 PolarHBondContact O-N 2.86Å; L251-C254 WeakPolarHBondContact O-CB 3.46Å; L251-C254 PolarHBondContact O-N 3.07Å; L251-F255 HydrophobicContact CD1-CD2 3.94Å; L251-F255 HydrophobicContact CD1-CE2 3.35Å; L251-F255 HydrophobicContact CD1-CZ 4.1Å; L251-F255 HydrophobicContact CG-CD2 4.36Å; L251-F255 HydrophobicContact CG-CE2 4.02Å; L251-F255 WeakPolarHBondContact O-CD2 3.39Å; L251-F255 PolarHBondContact O-N 3.4Å; L251-Y621 WeakPolarHBondContact CD1-O 3.32Å
252L97.2Very high94.8Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-58.6-44175.7177.165.7000110.8V177 W188 G240 L243 D248 Q249 C254 F255 I256V177-L252 HydrophobicContact CG2-CD1 4.04Å; W188-L252 HydrophobicContact CH2-CB 4.11Å; W188-L252 HydrophobicContact CH2-CD1 4.47Å; W188-L252 HydrophobicContact CZ3-CB 4.47Å; G240-L252 VanDerWaalsContact N-CD2 3.3Å; L243-L252 HydrophobicContact CD1-CB 3.86Å; L243-L252 HydrophobicContact CD1-CD2 3.65Å; L243-L252 HydrophobicContact CD1-CG 4.37Å; D248-L252 PolarHBondContact O-N 3.03Å; Q249-L252 PolarHBondContact O-N 3.43Å; L252-C254 VanDerWaalsContact C-N 3.3Å; L252-C254 PolarHBondContact O-N 2.72Å; L252-F255 PolarHBondContact O-N 2.99Å; L252-I256 HydrophobicContact CD1-CD1 3.84Å; L252-I256 HydrophobicContact CD1-CG1 4.23Å; L252-I256 HydrophobicContact CD2-CD1 4.19Å; L252-I256 HydrophobicContact CG-CD1 3.67Å; L252-I256 HydrophobicContact CG-CG1 4.39Å; L252-I256 WeakPolarHBondContact O-CG1 3.34Å; L252-I256 PolarHBondContact O-N 2.98Å
253D96.6Very high94.9Very high31 Ų3137.8 Ų37.817%0.16619%0.193CC..Hα-helixtrans-61.7-37.3178.4-68-11.2000112.2S235 Q249 M250 L251 I256 K257S235-D253 WeakPolarHBondContact CB-OD1 3.47Å; S235-D253 PolarHBondContact OG-OD1 2.96Å; Q249-D253 PolarHBondContact NE2-OD1 2.99Å; Q249-D253 PolarHBondContact O-N 2.87Å; M250-D253 WeakPolarHBondContact O-CB 3.27Å; M250-D253 PolarHBondContact O-N 2.8Å; L251-D253 VanDerWaalsContact C-N 3.28Å; L251-D253 PolarHBondContact O-N 2.86Å; D253-I256 PolarHBondContact O-N 3.34Å; D253-K257 VanDerWaalsContact O-CB 3.24Å; D253-K257 WeakPolarHBondContact O-CB 3.49Å; D253-K257 WeakPolarHBondContact O-CG 3.17Å; D253-K257 PolarHBondContact O-N 2.63Å
254C94.7Very high94.8Very high14 Ų1436.7 Ų36.710%0.09519%0.187CC..Hα-helixtrans-58.4-51.6173.8-69.90000111.2M250 L251 L252 I256 K257 K258 E618 E622M250-C254 PolarHBondContact O-N 2.87Å; M250-C254 PolarHBondContact O-SG 3.3Å; L251-C254 WeakPolarHBondContact O-CB 3.46Å; L251-C254 PolarHBondContact O-N 3.07Å; L252-C254 VanDerWaalsContact C-N 3.3Å; L252-C254 PolarHBondContact O-N 2.72Å; C254-I256 PolarHBondContact O-N 2.94Å; C254-K257 PolarHBondContact O-N 3.5Å; C254-K258 VanDerWaalsContact O-CB 3.28Å; C254-K258 WeakPolarHBondContact O-CB 3.3Å; C254-K258 PolarHBondContact O-N 3.45Å; C254-E618 HydrophobicContact CB-CB 4.43Å; C254-E622 HydrophobicContact CB-CG 4.38Å
255F96.4Very high94.8Very high13 Ų1333.4 Ų33.46%0.05717%0.167CC..Hα-helixtrans-62.5-43.2178.7-72.8-59.4000112.4L173 V176 L251 L252 K258 L259 L309 E622L173-F255 HydrophobicContact CD1-CB 3.94Å; V176-F255 HydrophobicContact CG1-CD1 4.24Å; V176-F255 HydrophobicContact CG1-CD2 4.4Å; V176-F255 HydrophobicContact CG1-CE1 4.01Å; V176-F255 HydrophobicContact CG1-CE2 4.15Å; V176-F255 HydrophobicContact CG1-CG 4.44Å; V176-F255 HydrophobicContact CG1-CZ 3.97Å; L251-F255 HydrophobicContact CD1-CD2 3.94Å; L251-F255 HydrophobicContact CD1-CE2 3.35Å; L251-F255 HydrophobicContact CD1-CZ 4.1Å; L251-F255 HydrophobicContact CG-CD2 4.36Å; L251-F255 HydrophobicContact CG-CE2 4.02Å; L251-F255 WeakPolarHBondContact O-CD2 3.39Å; L251-F255 PolarHBondContact O-N 3.4Å; L252-F255 PolarHBondContact O-N 2.99Å; F255-K258 PolarHBondContact O-N 3.38Å; F255-L259 WeakPolarHBondContact O-CB 3.23Å; F255-L259 VanDerWaalsContact O-CG 3.29Å; F255-L259 WeakPolarHBondContact O-CG 2.93Å; F255-L259 PolarHBondContact O-N 3.31Å; F255-L309 WeakPolarHBondContact CZ-O 3.19Å; F255-E622 HydrophobicContact CE1-CG 4Å; F255-E622 HydrophobicContact CZ-CB 4.4Å; F255-E622 HydrophobicContact CZ-CG 4.08Å
256I97.3Very high94.8Very high2 Ų234.4 Ų34.41%0.0118%0.176CC..Hα-helixtrans-64.3-46.5179.4-72172.9000110.9L173 R231 L234 L252 D253 C254 K258 L259 F260L173-I256 HydrophobicContact CD1-CG1 4.1Å; L173-I256 HydrophobicContact CD2-CD1 4.45Å; L173-I256 HydrophobicContact CD2-CG1 3.83Å; R231-I256 HydrophobicContact CB-CG2 3.75Å; R231-I256 HydrophobicContact CG-CG2 3.62Å; L234-I256 HydrophobicContact CB-CD1 3.73Å; L234-I256 HydrophobicContact CB-CG1 4.4Å; L252-I256 HydrophobicContact CD1-CD1 3.84Å; L252-I256 HydrophobicContact CD1-CG1 4.23Å; L252-I256 HydrophobicContact CD2-CD1 4.19Å; L252-I256 HydrophobicContact CG-CD1 3.67Å; L252-I256 HydrophobicContact CG-CG1 4.39Å; L252-I256 WeakPolarHBondContact O-CG1 3.34Å; L252-I256 PolarHBondContact O-N 2.98Å; D253-I256 PolarHBondContact O-N 3.34Å; C254-I256 PolarHBondContact O-N 2.94Å; I256-K258 VanDerWaalsContact C-N 3.32Å; I256-K258 PolarHBondContact O-N 3.49Å; I256-L259 PolarHBondContact O-N 3.26Å; I256-F260 HydrophobicContact CG2-CD2 4.38Å; I256-F260 WeakPolarHBondContact O-CB 3.43Å; I256-F260 PolarHBondContact O-N 3Å
257K95.2Very high94.4Very high127 Ų12732.7 Ų32.755%0.55218%0.182SC*.Hα-helixtrans-64.3-37.5179-75.3172.2-178.4173.30112.2D253 C254D253-K257 VanDerWaalsContact O-CB 3.24Å; D253-K257 WeakPolarHBondContact O-CB 3.49Å; D253-K257 WeakPolarHBondContact O-CG 3.17Å; D253-K257 PolarHBondContact O-N 2.63Å; C254-K257 PolarHBondContact O-N 3.5Å
258K93.8Very high94.2Very high54 Ų5437 Ų3724%0.23521%0.206CC..Hα-helixtrans-65.2-47.5176.8-174.8176.9-168.2166.90111.7C254 F255 I256 T261 F269 E622C254-K258 VanDerWaalsContact O-CB 3.28Å; C254-K258 WeakPolarHBondContact O-CB 3.3Å; C254-K258 PolarHBondContact O-N 3.45Å; F255-K258 PolarHBondContact O-N 3.38Å; I256-K258 VanDerWaalsContact C-N 3.32Å; I256-K258 PolarHBondContact O-N 3.49Å; K258-T261 WeakPolarHBondContact O-CG2 3.44Å; K258-F269 VanDerWaalsContact O-CZ 3.24Å; K258-F269 WeakPolarHBondContact O-CZ 3.21Å; K258-E622 WeakPolarHBondContact CD-OE1 3.27Å; K258-E622 IonicContact NZ-OE1 2.74Å; K258-E622 PolarHBondContact NZ-OE1 2.75Å; K258-E622 IonicContact NZ-OE2 2.93Å; K258-E622 PolarHBondContact NZ-OE2 3.32Å
259L95.9Very high94Very high5 Ų537.9 Ų37.93%0.02621%0.209CC..Hα-helixtrans-81.8-39.6-173.2-66.7170000113.8L173 F255 I256 T261 S264 L271L173-L259 HydrophobicContact CB-CD1 3.91Å; L173-L259 HydrophobicContact CD1-CD1 4.13Å; F255-L259 WeakPolarHBondContact O-CB 3.23Å; F255-L259 VanDerWaalsContact O-CG 3.29Å; F255-L259 WeakPolarHBondContact O-CG 2.93Å; F255-L259 PolarHBondContact O-N 3.31Å; I256-L259 PolarHBondContact O-N 3.26Å; L259-T261 PolarHBondContact O-N 3.19Å; L259-S264 VanDerWaalsContact O-CB 3.23Å; L259-S264 WeakPolarHBondContact O-CB 3.44Å; L259-S264 PolarHBondContact O-OG 3.32Å; L259-L271 HydrophobicContact CD2-CD2 3.9Å
260F96.5Very high93.8Very high0 Ų037 Ų370%021%0.207CC..SBendtrans-99.474.5-172.8-69.2-91.7000111.1L169 L170 L173 I206 W227 I230 R231 L234 I256L169-F260 HydrophobicContact CB-CE1 4.35Å; L169-F260 HydrophobicContact CB-CZ 4.28Å; L170-F260 HydrophobicContact CB-CZ 4.22Å; L173-F260 HydrophobicContact CB-CE2 4.3Å; L173-F260 HydrophobicContact CD2-CE2 3.87Å; I206-F260 HydrophobicContact CD1-CE1 3.91Å; I206-F260 HydrophobicContact CD1-CZ 4.32Å; W227-F260 HydrophobicContact CE3-CB 3.86Å; W227-F260 VanDerWaalsContact CZ3-C 3.46Å; W227-F260 HydrophobicContact CZ3-CB 3.9Å; W227-F260 HydrophobicContact CZ3-CD1 4.06Å; W227-F260 HydrophobicContact CZ3-CG 4.45Å; I230-F260 HydrophobicContact CG2-CD1 3.6Å; I230-F260 HydrophobicContact CG2-CE1 3.96Å; I230-F260 HydrophobicContact CG2-CG 4.25Å; R231-F260 WeakPolarHBondContact CD-O 3.48Å; R231-F260 HydrophobicContact CG-CB 3.86Å; L234-F260 HydrophobicContact CD1-CD1 4.28Å; L234-F260 HydrophobicContact CD1-CD2 3.97Å; L234-F260 HydrophobicContact CD1-CE1 3.9Å; L234-F260 HydrophobicContact CD1-CE2 3.57Å; L234-F260 HydrophobicContact CD1-CG 4.31Å; L234-F260 HydrophobicContact CD1-CZ 3.52Å; I256-F260 HydrophobicContact CG2-CD2 4.38Å; I256-F260 WeakPolarHBondContact O-CB 3.43Å; I256-F260 PolarHBondContact O-N 3Å
261T94.9Very high93.6Very high40 Ų4034.6 Ų34.625%0.24520%0.195CC..SBendtrans-144157-179.6-177.60000110.4W227 K258 L259 N263 S264 F269W227-T261 WeakPolarHBondContact CH2-O 3.34Å; W227-T261 VanDerWaalsContact CZ2-C 3.49Å; W227-T261 WeakPolarHBondContact CZ2-O 3.17Å; K258-T261 WeakPolarHBondContact O-CG2 3.44Å; L259-T261 PolarHBondContact O-N 3.19Å; T261-N263 HydrophobicContact CG2-CB 3.97Å; T261-N263 PolarHBondContact O-N 3.44Å; T261-N263 VanDerWaalsContact O-N 3.12Å; T261-S264 WeakPolarHBondContact O-CB 3.35Å; T261-S264 PolarHBondContact O-N 3.37Å; T261-S264 PolarHBondContact O-OG 2.76Å; T261-F269 HydrophobicContact CG2-CE2 4.26Å
262G93.5Very high93.3Very high23 Ų2334.8 Ų34.824%0.23720%0.197CC..G310 helixtrans-54.6-33.4176.500000113.1S264 F265G262-S264 PolarHBondContact O-N 3.37Å; G262-S264 VanDerWaalsContact O-N 3.13Å; G262-F265 PolarHBondContact O-N 3.21Å
263N92.9Very high92.6Very high113 Ų11340 Ų4060%0.60422%0.221SC*.G310 helixtrans-62.3-20.1177.4-61.7-6.7000113.2T261 F265 S266 F269T261-N263 HydrophobicContact CG2-CB 3.97Å; T261-N263 PolarHBondContact O-N 3.44Å; T261-N263 VanDerWaalsContact O-N 3.12Å; N263-F265 PolarHBondContact O-N 3.06Å; N263-F265 VanDerWaalsContact O-N 3.09Å; N263-S266 WeakPolarHBondContact O-CB 3.3Å; N263-S266 PolarHBondContact O-N 3.42Å; N263-S266 PolarHBondContact O-OG 2.77Å; N263-F269 HydrophobicContact CB-CD2 4.29Å; N263-F269 WeakPolarHBondContact O-CB 3.22Å; N263-F269 VanDerWaalsContact O-CD2 3.31Å; N263-F269 WeakPolarHBondContact O-CD2 3.22Å
264S93.2Very high91.8Very high0 Ų042 Ų420%024%0.237CC..G310 helixtrans-67.4-9.7178.373.80000114R165 L169 L259 T261 G262R165-S264 PolarHBondContact NH1-O 3.11Å; L169-S264 VanDerWaalsContact CD1-OG 3.23Å; L169-S264 WeakPolarHBondContact CD1-OG 3.35Å; L259-S264 VanDerWaalsContact O-CB 3.23Å; L259-S264 WeakPolarHBondContact O-CB 3.44Å; L259-S264 PolarHBondContact O-OG 3.32Å; T261-S264 WeakPolarHBondContact O-CB 3.35Å; T261-S264 PolarHBondContact O-N 3.37Å; T261-S264 PolarHBondContact O-OG 2.76Å; G262-S264 PolarHBondContact O-N 3.37Å; G262-S264 VanDerWaalsContact O-N 3.13Å
265F92.3Very high90.8Very high40 Ų4043.3 Ų43.318%0.17524%0.24CC..G310 helixtrans-92.3-8.4173.5-76-95.6000113.2E162 R165 L166 P222 W227 G262 N263E162-F265 HydrophobicContact CB-CE1 3.58Å; E162-F265 HydrophobicContact CB-CZ 3.92Å; E162-F265 HydrophobicContact CG-CD1 4.34Å; E162-F265 HydrophobicContact CG-CE1 3.64Å; E162-F265 HydrophobicContact CG-CZ 4.3Å; R165-F265 HydrophobicContact CB-CE1 4.1Å; R165-F265 HydrophobicContact CB-CZ 4.49Å; R165-F265 VanDerWaalsContact CD-CE1 3.42Å; R165-F265 HydrophobicContact CG-CD1 4.36Å; R165-F265 HydrophobicContact CG-CE1 4.01Å; R165-F265 HydrophobicContact CG-CZ 4.32Å; L166-F265 HydrophobicContact CD2-CE2 4.01Å; L166-F265 HydrophobicContact CD2-CZ 3.95Å; L166-F265 HydrophobicContact CG-CZ 4.05Å; P222-F265 HydrophobicContact CB-CB 4.17Å; P222-F265 HydrophobicContact CB-CD2 3.73Å; P222-F265 HydrophobicContact CB-CE2 4.26Å; P222-F265 HydrophobicContact CB-CG 3.93Å; P222-F265 HydrophobicContact CG-CB 3.71Å; P222-F265 HydrophobicContact CG-CD1 3.91Å; P222-F265 HydrophobicContact CG-CD2 3.89Å; P222-F265 HydrophobicContact CG-CE2 4.48Å; P222-F265 HydrophobicContact CG-CG 3.56Å; W227-F265 HydrophobicContact CH2-CD2 4.17Å; W227-F265 AromaticContact CH2-CE2 3.62Å; W227-F265 HydrophobicContact CH2-CE2 3.62Å; W227-F265 HydrophobicContact CZ2-CD2 4.06Å; W227-F265 AromaticContact CZ2-CE2 3.71Å; W227-F265 HydrophobicContact CZ2-CE2 3.71Å; G262-F265 PolarHBondContact O-N 3.21Å; N263-F265 PolarHBondContact O-N 3.06Å; N263-F265 VanDerWaalsContact O-N 3.09Å
266S91.5Very high89.3Confident41 Ų4144 Ų4429%0.28725%0.251SS..SBendtrans-72.6144.3174.680.70000110.8N263 D268 F269N263-S266 WeakPolarHBondContact O-CB 3.3Å; N263-S266 PolarHBondContact O-N 3.42Å; N263-S266 PolarHBondContact O-OG 2.77Å; S266-D268 WeakPolarHBondContact CB-OD1 3.37Å; S266-D268 PolarHBondContact O-N 3.41Å; S266-D268 PolarHBondContact OG-OD1 3.01Å; S266-F269 WeakPolarHBondContact O-CB 3.48Å; S266-F269 PolarHBondContact O-N 2.84Å; S266-F269 PolarHBondContact OG-N 3.24Å
267A85.9Confident87.6Confident70 Ų7050.2 Ų50.258%0.57930%0.295SS*.THydrogen-bonded Turntrans-65.8-24.7-177.800000113
268D88Confident86.1Confident103 Ų10349.1 Ų49.155%0.55131%0.309SS*.THydrogen-bonded Turntrans-92.10.2179.870.9-44.5000113.5S266 A270 K281S266-D268 WeakPolarHBondContact CB-OD1 3.37Å; S266-D268 PolarHBondContact O-N 3.41Å; S266-D268 PolarHBondContact OG-OD1 3.01Å; D268-A270 PolarHBondContact O-N 2.79Å; D268-A270 VanDerWaalsContact O-N 3.15Å; D268-K281 WeakPolarHBondContact O-CE 3.24Å; D268-K281 PolarHBondContact O-NZ 2.92Å
269F92.3Very high84.9Confident25 Ų2548.5 Ų48.511%0.1132%0.318CS..  trans-60.9118.4-178.4-177.6-97.1000111.1K258 T261 N263 S266 L271 T283 V284K258-F269 VanDerWaalsContact O-CZ 3.24Å; K258-F269 WeakPolarHBondContact O-CZ 3.21Å; T261-F269 HydrophobicContact CG2-CE2 4.26Å; N263-F269 HydrophobicContact CB-CD2 4.29Å; N263-F269 WeakPolarHBondContact O-CB 3.22Å; N263-F269 VanDerWaalsContact O-CD2 3.31Å; N263-F269 WeakPolarHBondContact O-CD2 3.22Å; S266-F269 WeakPolarHBondContact O-CB 3.48Å; S266-F269 PolarHBondContact O-N 2.84Å; S266-F269 PolarHBondContact OG-N 3.24Å; F269-L271 HydrophobicContact CE1-CD2 4.35Å; F269-T283 VanDerWaalsContact O-CA 3.25Å; F269-T283 WeakPolarHBondContact O-CA 3.34Å; F269-T283 WeakPolarHBondContact O-CB 3.24Å; F269-V284 HydrophobicContact CD1-CG2 3.6Å; F269-V284 HydrophobicContact CE1-CG2 4.21Å; F269-V284 PolarHBondContact O-N 2.72Å
270A91.7Very high84.2Confident13 Ų1349.3 Ų49.311%0.10733%0.328CS..EExtended strand (participates in β ladder)trans-81.5118.7178.900000110.7D268 V272 E273 K281 L282D268-A270 PolarHBondContact O-N 2.79Å; D268-A270 VanDerWaalsContact O-N 3.15Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-E273 HydrophobicContact CB-CG 3.9Å; A270-K281 HydrophobicContact CB-CD 4.21Å; A270-K281 HydrophobicContact CB-CG 4.09Å; A270-L282 CarbonylContact C-O 3.52Å; A270-L282 WeakPolarHBondContact CA-O 3.44Å
271L91.3Very high83.7Confident8 Ų854.4 Ų54.44%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-67.9-39.9159.8-68.4170.3000110.2F168 W172 L259 F269 L282 V284 W296F168-L271 HydrophobicContact CE1-CD1 3.88Å; F168-L271 HydrophobicContact CE1-CD2 4.35Å; F168-L271 HydrophobicContact CZ-CD1 3.84Å; W172-L271 HydrophobicContact CD2-CD1 4.07Å; W172-L271 HydrophobicContact CD2-CD2 4.03Å; W172-L271 HydrophobicContact CD2-CG 4.46Å; W172-L271 HydrophobicContact CE3-CD1 3.92Å; W172-L271 HydrophobicContact CG-CD2 4Å; W172-L271 HydrophobicContact CH2-CB 4.33Å; W172-L271 HydrophobicContact CH2-CD1 4.22Å; W172-L271 HydrophobicContact CZ2-CB 3.86Å; W172-L271 HydrophobicContact CZ2-CD1 4.37Å; W172-L271 HydrophobicContact CZ3-CD1 3.99Å; L259-L271 HydrophobicContact CD2-CD2 3.9Å; F269-L271 HydrophobicContact CE1-CD2 4.35Å; L271-L282 HydrophobicContact CB-CD2 4.36Å; L271-L282 HydrophobicContact CD1-CD2 4.4Å; L271-L282 PolarHBondContact N-O 2.98Å; L271-V284 HydrophobicContact CD1-CG2 4.01Å; L271-V284 HydrophobicContact CD2-CG2 3.62Å; L271-V284 HydrophobicContact CG-CG2 3.58Å; L271-W296 HydrophobicContact CD1-CH2 3.71Å; L271-W296 HydrophobicContact CD1-CZ2 4.1Å
272V88.9Confident83.4Confident9 Ų953.2 Ų53.26%0.05534%0.343CS..EExtended strand (participates in β ladder)trans-135.8115177.3-1700000108.1W172 A270 Y275 K281 L282 W308W172-V272 HydrophobicContact CH2-CG2 4.36Å; W172-V272 HydrophobicContact CZ2-CG2 3.91Å; A270-V272 VanDerWaalsContact C-N 3.32Å; V272-Y275 HydrophobicContact CB-CD1 4.34Å; V272-Y275 HydrophobicContact CG1-CD1 4.24Å; V272-K281 WeakPolarHBondContact O-CA 3.31Å; V272-L282 HydrophobicContact CB-CB 3.94Å; V272-L282 HydrophobicContact CG2-CB 4.21Å; V272-L282 HydrophobicContact CG2-CD2 4.07Å; V272-L282 PolarHBondContact N-O 3.38Å; V272-L282 VanDerWaalsContact N-O 3.17Å; V272-L282 PolarHBondContact O-N 3.47Å; V272-W308 HydrophobicContact CG2-CB 4.34Å; V272-W308 HydrophobicContact CG2-CG 4.32Å
273E82.4Confident83.3Confident110 Ų11054.6 Ų54.651%0.51435%0.346SS..EExtended strand (participates in β ladder)trans-68.1-39.2-176.9-73.4165.5-149.500112.7A270A270-E273 HydrophobicContact CB-CG 3.9Å
274S78.2Confident83.2Confident72 Ų7249.4 Ų49.450%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-148.1120.5179.8-179.30000110.3G279 G280S274-G279 WeakPolarHBondContact OG-CA 3.35Å; S274-G280 CarbonylContact C-O 3.6Å; S274-G280 VanDerWaalsContact CA-O 3.26Å; S274-G280 WeakPolarHBondContact CA-O 3.18Å
275Y75.1Confident83Confident41 Ų4150 Ų5016%0.16132%0.323CS..EExtended strand (participates in β ladder)trans-130.3150173.768.7-94.2000113.1V272 G280 L282 S307 W308V272-Y275 HydrophobicContact CB-CD1 4.34Å; V272-Y275 HydrophobicContact CG1-CD1 4.24Å; Y275-G280 WeakPolarHBondContact CD1-O 3.37Å; Y275-G280 VanDerWaalsContact CE1-C 3.43Å; Y275-G280 VanDerWaalsContact CE1-O 3.29Å; Y275-G280 WeakPolarHBondContact CE1-O 3.22Å; Y275-G280 PolarHBondContact N-O 3.44Å; Y275-G280 PolarHBondContact O-N 3.29Å; Y275-L282 HydrophobicContact CD1-CB 4.03Å; Y275-L282 HydrophobicContact CE1-CB 3.69Å; Y275-S307 WeakPolarHBondContact CA-OG 3.13Å; Y275-S307 WeakPolarHBondContact CB-OG 3.4Å; Y275-W308 HydrophobicContact CD2-CZ2 4.43Å; Y275-W308 AromaticContact CD2-NE1 3.45Å; Y275-W308 HydrophobicContact CE2-CZ2 4.34Å; Y275-W308 AromaticContact CG-NE1 3.39Å
276G64.1Low82.7Confident27 Ų2754.7 Ų54.728%0.27835%0.35SS..THydrogen-bonded Turntrans68.1-177.1-176.600000113.8A278G276-A278 VanDerWaalsContact C-N 3.27Å; G276-A278 PolarHBondContact O-N 2.98Å
277S61.3Low82.5Confident134 Ų13453 Ų5394%0.93734%0.338SS*.THydrogen-bonded Turntrans-72.4-20.2178.8-50.50000113.5
278A63.7Low82.6Confident103 Ų10353.2 Ų53.285%0.85133%0.332SS*.THydrogen-bonded Turntrans-91.2-3-176.900000114G276G276-A278 VanDerWaalsContact C-N 3.27Å; G276-A278 PolarHBondContact O-N 2.98Å
279G70.2Confident82.8Confident41 Ų4156.8 Ų56.842%0.42334%0.338SS..THydrogen-bonded Turntrans67.840.7178.700000114.4S274S274-G279 WeakPolarHBondContact OG-CA 3.35Å
280G80.6Confident82.7Confident23 Ų2357 Ų5724%0.23734%0.338CS..EExtended strand (participates in β ladder)trans-67.2143.8177.600000111.9S274 Y275S274-G280 CarbonylContact C-O 3.6Å; S274-G280 VanDerWaalsContact CA-O 3.26Å; S274-G280 WeakPolarHBondContact CA-O 3.18Å; Y275-G280 WeakPolarHBondContact CD1-O 3.37Å; Y275-G280 VanDerWaalsContact CE1-C 3.43Å; Y275-G280 VanDerWaalsContact CE1-O 3.29Å; Y275-G280 WeakPolarHBondContact CE1-O 3.22Å; Y275-G280 PolarHBondContact N-O 3.44Å; Y275-G280 PolarHBondContact O-N 3.29Å
281K85.3Confident82.8Confident107 Ų10761.2 Ų61.247%0.46536%0.355SS..EExtended strand (participates in β ladder)trans-101.4130.3172.5176.9171.2158.6164.70109.6D268 A270 V272 T283D268-K281 WeakPolarHBondContact O-CE 3.24Å; D268-K281 PolarHBondContact O-NZ 2.92Å; A270-K281 HydrophobicContact CB-CD 4.21Å; A270-K281 HydrophobicContact CB-CG 4.09Å; V272-K281 WeakPolarHBondContact O-CA 3.31Å; K281-T283 HydrophobicContact CD-CG2 4.37Å; K281-T283 HydrophobicContact CG-CG2 4.15Å
282L89.8Confident82.9Confident15 Ų1565.2 Ų65.28%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-104.5112.4175.3-172.673.4000108W172 A270 L271 V272 Y275 W296 I300 W308W172-L282 HydrophobicContact CH2-CD2 3.48Å; W172-L282 VanDerWaalsContact CH2-CD2 3.48Å; W172-L282 HydrophobicContact CZ2-CD2 4.29Å; W172-L282 HydrophobicContact CZ3-CD2 4.09Å; A270-L282 CarbonylContact C-O 3.52Å; A270-L282 WeakPolarHBondContact CA-O 3.44Å; L271-L282 HydrophobicContact CB-CD2 4.36Å; L271-L282 HydrophobicContact CD1-CD2 4.4Å; L271-L282 PolarHBondContact N-O 2.98Å; V272-L282 HydrophobicContact CB-CB 3.94Å; V272-L282 HydrophobicContact CG2-CB 4.21Å; V272-L282 HydrophobicContact CG2-CD2 4.07Å; V272-L282 PolarHBondContact N-O 3.38Å; V272-L282 VanDerWaalsContact N-O 3.17Å; V272-L282 PolarHBondContact O-N 3.47Å; Y275-L282 HydrophobicContact CD1-CB 4.03Å; Y275-L282 HydrophobicContact CE1-CB 3.69Å; L282-W296 HydrophobicContact CD1-CH2 4.42Å; L282-W296 HydrophobicContact CD1-CZ2 3.8Å; L282-W296 HydrophobicContact CD2-CH2 4.07Å; L282-W296 HydrophobicContact CD2-CZ2 4.19Å; L282-W296 HydrophobicContact CG-CH2 4.35Å; L282-W296 HydrophobicContact CG-CZ2 3.97Å; L282-I300 HydrophobicContact CD1-CG2 4.37Å; L282-W308 HydrophobicContact CD1-CH2 3.92Å; L282-W308 HydrophobicContact CD1-CZ2 4.32Å; L282-W308 HydrophobicContact CD2-CD2 4.28Å; L282-W308 HydrophobicContact CD2-CE3 3.81Å; L282-W308 HydrophobicContact CD2-CH2 3.5Å; L282-W308 VanDerWaalsContact CD2-CH2 3.5Å; L282-W308 HydrophobicContact CD2-CZ2 4.01Å; L282-W308 HydrophobicContact CD2-CZ3 3.39Å; L282-W308 HydrophobicContact CG-CH2 4.33Å
283T90.9Very high83.2Confident51 Ų5164.8 Ų64.831%0.31337%0.371SS..EExtended strand (participates in β ladder)trans-96.6158.4176.653.80000111.4F269 K281 W296F269-T283 VanDerWaalsContact O-CA 3.25Å; F269-T283 WeakPolarHBondContact O-CA 3.34Å; F269-T283 WeakPolarHBondContact O-CB 3.24Å; K281-T283 HydrophobicContact CD-CG2 4.37Å; K281-T283 HydrophobicContact CG-CG2 4.15Å; T283-W296 WeakPolarHBondContact O-CZ2 3.25Å
284V89.6Confident83.7Confident4 Ų461.7 Ų61.72%0.02436%0.357CS..PPolyproline II helixtrans-62.5139.3169.3-179.30000108.5F168 L169 F269 L271F168-V284 HydrophobicContact CD1-CG1 4.03Å; F168-V284 HydrophobicContact CE1-CB 4.49Å; F168-V284 HydrophobicContact CE1-CG1 3.82Å; F168-V284 HydrophobicContact CE1-CG2 4.26Å; L169-V284 HydrophobicContact CD2-CG2 4.48Å; F269-V284 HydrophobicContact CD1-CG2 3.6Å; F269-V284 HydrophobicContact CE1-CG2 4.21Å; F269-V284 PolarHBondContact O-N 2.72Å; L271-V284 HydrophobicContact CD1-CG2 4.01Å; L271-V284 HydrophobicContact CD2-CG2 3.62Å; L271-V284 HydrophobicContact CG-CG2 3.58Å
285P89.1Confident84.5Confident13 Ų1362 Ų628%0.08436%0.36CS..PPolyproline II helixtrans-57.3141.4174.219.2-30.4000111.3R165 F168 A287 F293 W296R165-P285 PolarHBondContact NH2-O 3.27Å; F168-P285 HydrophobicContact CZ-CG 4.4Å; P285-A287 HydrophobicContact CB-CB 3.95Å; P285-A287 HydrophobicContact CG-CB 4.29Å; P285-A287 PolarHBondContact O-N 2.78Å; P285-F293 HydrophobicContact CG-CD1 3.55Å; P285-F293 HydrophobicContact CG-CE1 3.73Å; P285-W296 HydrophobicContact CB-CB 3.81Å; P285-W296 VanDerWaalsContact CB-CD1 3.49Å; P285-W296 HydrophobicContact CB-CD2 4.2Å; P285-W296 HydrophobicContact CB-CG 3.55Å; P285-W296 HydrophobicContact CG-CB 3.92Å; P285-W296 HydrophobicContact CG-CD2 3.8Å; P285-W296 HydrophobicContact CG-CE3 4.32Å; P285-W296 HydrophobicContact CG-CG 3.61Å
286D86.8Confident85.4Confident139 Ų13961.9 Ų61.974%0.74336%0.359SS*.  trans-75.568.9165.8-168.320.2000110
287A88.2Confident86.9Confident5 Ų560.6 Ų60.64%0.04135%0.346CS..  trans-118.9144.5-17500000110.8P285 Q292 F293P285-A287 HydrophobicContact CB-CB 3.95Å; P285-A287 HydrophobicContact CG-CB 4.29Å; P285-A287 PolarHBondContact O-N 2.78Å; A287-Q292 HydrophobicContact CB-CB 3.56Å; A287-F293 HydrophobicContact CB-CD1 4.03Å; A287-F293 HydrophobicContact CB-CD2 3.93Å; A287-F293 HydrophobicContact CB-CE1 3.86Å; A287-F293 HydrophobicContact CB-CE2 3.72Å; A287-F293 HydrophobicContact CB-CG 4.06Å; A287-F293 HydrophobicContact CB-CZ 3.69Å; A287-F293 VanDerWaalsContact O-CZ 3.26Å; A287-F293 WeakPolarHBondContact O-CZ 3.38Å
288V88.1Confident88.3Confident74 Ų7459 Ų5945%0.44833%0.327SS..  trans-117.6-33.1177.5-177.20000110.7T161 P164T161-V288 HydrophobicContact CG2-CG1 3.22Å; P164-V288 WeakPolarHBondContact CG-O 3.25Å
289R90.4Very high89.6Confident178 Ų17858.3 Ų58.367%0.67232%0.316SS*.SBendtrans-99.9147.7-179.2-61.8-177.9-179.8167.70.4111.5E291 Q292 F293R289-E291 VanDerWaalsContact C-N 3.25Å; R289-E291 PolarHBondContact O-N 2.85Å; R289-Q292 HydrophobicContact CB-CG 4.31Å; R289-Q292 WeakPolarHBondContact O-CB 3.38Å; R289-Q292 PolarHBondContact O-N 3.38Å; R289-F293 VanDerWaalsContact O-CD2 3.25Å; R289-F293 WeakPolarHBondContact O-CD2 3.47Å; R289-F293 PolarHBondContact O-N 2.72Å
290R91.2Very high90.6Very high31 Ų3157 Ų5712%0.11730%0.299CS..Hα-helixtrans-50.8-43.7177.2176.8178.7176.5-109.76.3112.6F148 P153 I156 Q292 F293 I294F148-R290 HydrophobicContact CD1-CG 4.17Å; F148-R290 HydrophobicContact CE1-CG 4.27Å; F148-R290 PolarHBondContact O-NH2 3.19Å; P153-R290 VanDerWaalsContact CB-NH1 3.33Å; P153-R290 VanDerWaalsContact CG-NH1 3.31Å; I156-R290 HydrophobicContact CG2-CB 4.2Å; I156-R290 HydrophobicContact CG2-CG 4.28Å; R290-Q292 VanDerWaalsContact C-N 3.26Å; R290-Q292 PolarHBondContact O-N 3.39Å; R290-F293 WeakPolarHBondContact O-CB 3.36Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.13Å; R290-I294 HydrophobicContact CG-CD1 4.06Å; R290-I294 PolarHBondContact O-N 3.45Å
291E93.3Very high90.8Very high100 Ų10063.7 Ų63.747%0.46732%0.317SS..Hα-helixtrans-66-30-177-65.964.9-137.900112.1R289 I294 S295R289-E291 VanDerWaalsContact C-N 3.25Å; R289-E291 PolarHBondContact O-N 2.85Å; E291-I294 PolarHBondContact O-N 2.83Å; E291-S295 WeakPolarHBondContact O-CB 3.07Å; E291-S295 PolarHBondContact O-N 3.22Å
292Q94.1Very high90.6Very high93 Ų9366 Ų6644%0.43533%0.33SS..Hα-helixtrans-70.1-38174.4-64.9174.8-47.200111.3A287 R289 R290 S295 W296A287-Q292 HydrophobicContact CB-CB 3.56Å; R289-Q292 HydrophobicContact CB-CG 4.31Å; R289-Q292 WeakPolarHBondContact O-CB 3.38Å; R289-Q292 PolarHBondContact O-N 3.38Å; R290-Q292 VanDerWaalsContact C-N 3.26Å; R290-Q292 PolarHBondContact O-N 3.39Å; Q292-S295 PolarHBondContact O-N 3.19Å; Q292-W296 PolarHBondContact O-N 3.33Å
293F94.6Very high90.2Very high0 Ų071.7 Ų71.70%036%0.359CS..Hα-helixtrans-64-43.6172.4-70-78.6000111.3F148 P164 R165 F168 P285 A287 R289 R290 S295 W296 V297F148-F293 HydrophobicContact CE1-CB 4.15Å; F148-F293 HydrophobicContact CE2-CB 4.45Å; F148-F293 HydrophobicContact CZ-CB 3.7Å; F148-F293 HydrophobicContact CZ-CG 4.44Å; P164-F293 HydrophobicContact CB-CD2 4.14Å; P164-F293 HydrophobicContact CB-CE2 3.79Å; R165-F293 HydrophobicContact CB-CZ 3.85Å; R165-F293 HydrophobicContact CG-CZ 4.35Å; F168-F293 HydrophobicContact CB-CD1 3.59Å; F168-F293 HydrophobicContact CB-CE1 3.7Å; F168-F293 HydrophobicContact CB-CG 4.18Å; F168-F293 HydrophobicContact CB-CZ 4.39Å; F168-F293 HydrophobicContact CD1-CD1 4.15Å; F168-F293 HydrophobicContact CD1-CE1 4.05Å; F168-F293 HydrophobicContact CD2-CB 4.29Å; F168-F293 AromaticContact CD2-CD1 3.48Å; F168-F293 HydrophobicContact CD2-CD1 3.48Å; F168-F293 VanDerWaalsContact CD2-CD1 3.48Å; F168-F293 HydrophobicContact CD2-CE1 4.2Å; F168-F293 HydrophobicContact CD2-CG 4.22Å; F168-F293 HydrophobicContact CE2-CD1 4.19Å; F168-F293 AromaticContact CG-CD1 3.44Å; F168-F293 HydrophobicContact CG-CD1 3.44Å; F168-F293 VanDerWaalsContact CG-CD1 3.44Å; F168-F293 AromaticContact CG-CE1 3.7Å; F168-F293 HydrophobicContact CG-CE1 3.7Å; F168-F293 HydrophobicContact CG-CG 4.36Å; P285-F293 HydrophobicContact CG-CD1 3.55Å; P285-F293 HydrophobicContact CG-CE1 3.73Å; A287-F293 HydrophobicContact CB-CD1 4.03Å; A287-F293 HydrophobicContact CB-CD2 3.93Å; A287-F293 HydrophobicContact CB-CE1 3.86Å; A287-F293 HydrophobicContact CB-CE2 3.72Å; A287-F293 HydrophobicContact CB-CG 4.06Å; A287-F293 HydrophobicContact CB-CZ 3.69Å; A287-F293 VanDerWaalsContact O-CZ 3.26Å; A287-F293 WeakPolarHBondContact O-CZ 3.38Å; R289-F293 VanDerWaalsContact O-CD2 3.25Å; R289-F293 WeakPolarHBondContact O-CD2 3.47Å; R289-F293 PolarHBondContact O-N 2.72Å; R290-F293 WeakPolarHBondContact O-CB 3.36Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.13Å; F293-S295 VanDerWaalsContact C-N 3.35Å; F293-S295 PolarHBondContact O-N 3.04Å; F293-W296 WeakPolarHBondContact O-CB 3.19Å; F293-W296 PolarHBondContact O-N 3Å; F293-V297 WeakPolarHBondContact O-CG2 3.48Å; F293-V297 PolarHBondContact O-N 2.73Å
294I93.6Very high90.1Very high44 Ų4470.3 Ų70.323%0.22635%0.349CS..Hα-helixtrans-61.7-43.9176.6-65.3170.3000110.9M145 F148 R290 E291 W296 V297 D298M145-I294 HydrophobicContact CE-CG2 4.23Å; M145-I294 HydrophobicContact SD-CG2 4.2Å; F148-I294 HydrophobicContact CB-CD1 4.36Å; F148-I294 HydrophobicContact CB-CG1 4.16Å; F148-I294 HydrophobicContact CD1-CD1 4.33Å; F148-I294 HydrophobicContact CD1-CG1 3.96Å; F148-I294 HydrophobicContact CD2-CG1 4.45Å; F148-I294 HydrophobicContact CG-CD1 4.5Å; F148-I294 HydrophobicContact CG-CG1 3.95Å; R290-I294 HydrophobicContact CG-CD1 4.06Å; R290-I294 PolarHBondContact O-N 3.45Å; E291-I294 PolarHBondContact O-N 2.83Å; I294-W296 VanDerWaalsContact C-N 3.31Å; I294-W296 PolarHBondContact O-N 3.35Å; I294-V297 PolarHBondContact O-N 2.9Å; I294-V297 VanDerWaalsContact O-N 3.13Å; I294-D298 PolarHBondContact O-N 3.08Å
295S94.7Very high90Very high80 Ų8071.5 Ų71.556%0.55936%0.358SS*.Hα-helixtrans-60.7-39.1175-179.40000112.4E291 Q292 F293 D298 S299E291-S295 WeakPolarHBondContact O-CB 3.07Å; E291-S295 PolarHBondContact O-N 3.22Å; Q292-S295 PolarHBondContact O-N 3.19Å; F293-S295 VanDerWaalsContact C-N 3.35Å; F293-S295 PolarHBondContact O-N 3.04Å; S295-D298 PolarHBondContact O-N 3Å; S295-S299 PolarHBondContact O-N 2.73Å
296W94.9Very high90Very high37 Ų3770.9 Ų70.914%0.1435%0.354CS..Hα-helixtrans-64.6-41.5172.6-179.190.3000112.4L144 F168 W172 L271 L282 T283 P285 Q292 F293 I294 D298 S299 I300L144-W296 HydrophobicContact CD1-CZ3 4.4Å; F168-W296 AromaticContact CE2-CE3 3.73Å; F168-W296 HydrophobicContact CE2-CE3 3.73Å; F168-W296 HydrophobicContact CE2-CH2 4.43Å; F168-W296 AromaticContact CE2-CZ3 3.58Å; F168-W296 HydrophobicContact CE2-CZ3 3.58Å; F168-W296 AromaticContact CZ-CE3 3.93Å; F168-W296 HydrophobicContact CZ-CE3 3.93Å; F168-W296 AromaticContact CZ-CH2 3.88Å; F168-W296 HydrophobicContact CZ-CH2 3.88Å; F168-W296 AromaticContact CZ-CZ3 3.48Å; F168-W296 HydrophobicContact CZ-CZ3 3.48Å; F168-W296 VanDerWaalsContact CZ-CZ3 3.48Å; W172-W296 HydrophobicContact CE3-CH2 4.45Å; W172-W296 AromaticContact CZ3-CH2 3.89Å; W172-W296 HydrophobicContact CZ3-CH2 3.89Å; W172-W296 HydrophobicContact CZ3-CZ3 4.25Å; L271-W296 HydrophobicContact CD1-CH2 3.71Å; L271-W296 HydrophobicContact CD1-CZ2 4.1Å; L282-W296 HydrophobicContact CD1-CH2 4.42Å; L282-W296 HydrophobicContact CD1-CZ2 3.8Å; L282-W296 HydrophobicContact CD2-CH2 4.07Å; L282-W296 HydrophobicContact CD2-CZ2 4.19Å; L282-W296 HydrophobicContact CG-CH2 4.35Å; L282-W296 HydrophobicContact CG-CZ2 3.97Å; T283-W296 WeakPolarHBondContact O-CZ2 3.25Å; P285-W296 HydrophobicContact CB-CB 3.81Å; P285-W296 VanDerWaalsContact CB-CD1 3.49Å; P285-W296 HydrophobicContact CB-CD2 4.2Å; P285-W296 HydrophobicContact CB-CG 3.55Å; P285-W296 HydrophobicContact CG-CB 3.92Å; P285-W296 HydrophobicContact CG-CD2 3.8Å; P285-W296 HydrophobicContact CG-CE3 4.32Å; P285-W296 HydrophobicContact CG-CG 3.61Å; Q292-W296 PolarHBondContact O-N 3.33Å; F293-W296 WeakPolarHBondContact O-CB 3.19Å; F293-W296 PolarHBondContact O-N 3Å; I294-W296 VanDerWaalsContact C-N 3.31Å; I294-W296 PolarHBondContact O-N 3.35Å; W296-D298 PolarHBondContact O-N 2.68Å; W296-S299 PolarHBondContact O-N 3.05Å; W296-S299 VanDerWaalsContact O-N 3.13Å; W296-S299 PolarHBondContact O-OG 2.78Å; W296-I300 HydrophobicContact CD2-CG2 4.19Å; W296-I300 HydrophobicContact CE3-CG2 4.19Å; W296-I300 HydrophobicContact CH2-CG2 3.87Å; W296-I300 HydrophobicContact CZ2-CG2 3.86Å; W296-I300 HydrophobicContact CZ3-CG2 4.02Å; W296-I300 PolarHBondContact O-N 2.65Å
297V93.7Very high90.1Very high0 Ų065 Ų650%032%0.324CS..Hα-helixtrans-63.4-32.4175.1176.80000111.2K141 L144 M145 F148 F168 F293 I294 I300K141-V297 WeakPolarHBondContact CE-O 3.47Å; K141-V297 HydrophobicContact CG-CG1 4.27Å; K141-V297 WeakPolarHBondContact CG-O 3.4Å; L144-V297 HydrophobicContact CB-CG1 3.63Å; L144-V297 HydrophobicContact CB-CG2 3.95Å; L144-V297 HydrophobicContact CD1-CG1 4.29Å; L144-V297 HydrophobicContact CD1-CG2 3.98Å; M145-V297 HydrophobicContact CG-CG1 3.65Å; M145-V297 HydrophobicContact SD-CB 4.1Å; M145-V297 HydrophobicContact SD-CG1 3.61Å; F148-V297 HydrophobicContact CE2-CG2 4.22Å; F168-V297 HydrophobicContact CE2-CG2 4.46Å; F293-V297 WeakPolarHBondContact O-CG2 3.48Å; F293-V297 PolarHBondContact O-N 2.73Å; I294-V297 PolarHBondContact O-N 2.9Å; I294-V297 VanDerWaalsContact O-N 3.13Å; V297-I300 WeakPolarHBondContact O-CG1 3.32Å
298D91.9Very high90.3Very high101 Ų10165.3 Ų65.354%0.5432%0.324SS..Hα-helixtrans-72.3-32.2175-162.937.7000112.6K141 I294 S295 W296K141-D298 PolarHBondContact NZ-O 3.34Å; K141-D298 IonicContact NZ-OD1 2.71Å; K141-D298 PolarHBondContact NZ-OD1 2.99Å; I294-D298 PolarHBondContact O-N 3.08Å; S295-D298 PolarHBondContact O-N 3Å; W296-D298 PolarHBondContact O-N 2.68Å
299S91.3Very high90.5Very high89 Ų8962.1 Ų62.162%0.62230%0.304SS*.Hα-helixtrans-78.4-18.9-178.679.90000115S295 W296S295-S299 PolarHBondContact O-N 2.73Å; W296-S299 PolarHBondContact O-N 3.05Å; W296-S299 VanDerWaalsContact O-N 3.13Å; W296-S299 PolarHBondContact O-OG 2.78Å
300I90.7Very high90.4Very high12 Ų1254.4 Ų54.46%0.06228%0.28CS..SBendtrans-67.1153.1174.157.9161.4000111.5I140 K141 L144 L282 W296 V297 W308I140-I300 HydrophobicContact CG2-CD1 4.43Å; K141-I300 HydrophobicContact CB-CD1 3.79Å; K141-I300 HydrophobicContact CB-CG1 4.19Å; K141-I300 HydrophobicContact CD-CG1 4.34Å; K141-I300 HydrophobicContact CG-CD1 4.32Å; K141-I300 HydrophobicContact CG-CG1 4.26Å; L144-I300 HydrophobicContact CD1-CD1 4.39Å; L282-I300 HydrophobicContact CD1-CG2 4.37Å; W296-I300 HydrophobicContact CD2-CG2 4.19Å; W296-I300 HydrophobicContact CE3-CG2 4.19Å; W296-I300 HydrophobicContact CH2-CG2 3.87Å; W296-I300 HydrophobicContact CZ2-CG2 3.86Å; W296-I300 HydrophobicContact CZ3-CG2 4.02Å; W296-I300 PolarHBondContact O-N 2.65Å; V297-I300 WeakPolarHBondContact O-CG1 3.32Å; I300-W308 HydrophobicContact CB-CH2 4.03Å; I300-W308 HydrophobicContact CB-CZ3 4.39Å; I300-W308 HydrophobicContact CD1-CH2 4.48Å; I300-W308 HydrophobicContact CD1-CZ3 4.01Å; I300-W308 HydrophobicContact CG2-CH2 4.12Å; I300-W308 HydrophobicContact CG2-CZ3 4.46Å
301R85.7Confident90.3Very high164 Ų16453.1 Ų53.162%0.61928%0.275SS*.  trans-55.9144.3-177.9-62-177.5-179-160.3-1.1111.3Q304R301-Q304 PolarHBondContact O-NE2 3.48Å
302E80.8Confident89.8Confident156 Ų15648.9 Ų48.973%0.72926%0.257SS*.SBendtrans-64.6-42.4177.1-160.680.4-178.400112.4K141 Q304K141-E302 IonicContact NZ-OE2 2.72Å; K141-E302 PolarHBondContact NZ-OE2 3.18Å; E302-Q304 VanDerWaalsContact C-NE2 3.34Å; E302-Q304 PolarHBondContact O-NE2 3.48Å
303L81.7Confident89.3Confident135 Ų13548.1 Ų48.171%0.70726%0.255SS*.SBendtrans-101.5116.5176.9-172.269.3000109.4
304Q87.5Confident88.7Confident22 Ų2249.5 Ų49.510%0.10326%0.263CS..PPolyproline II helixtrans-103136.2177-52.187.338.600110.4G139 I140 R301 E302 W308G139-Q304 VanDerWaalsContact CA-OE1 3.26Å; I140-Q304 HydrophobicContact CB-CG 4.3Å; R301-Q304 PolarHBondContact O-NE2 3.48Å; E302-Q304 VanDerWaalsContact C-NE2 3.34Å; E302-Q304 PolarHBondContact O-NE2 3.48Å; Q304-W308 HydrophobicContact CB-CB 4.49Å; Q304-W308 HydrophobicContact CB-CD2 3.86Å; Q304-W308 HydrophobicContact CB-CE3 4.07Å; Q304-W308 HydrophobicContact CB-CG 4.03Å; Q304-W308 HydrophobicContact CG-CD2 4.02Å; Q304-W308 HydrophobicContact CG-CE3 3.77Å; Q304-W308 HydrophobicContact CG-CH2 4.31Å; Q304-W308 HydrophobicContact CG-CZ3 3.92Å
305S88.3Confident88.2Confident28 Ų2847.5 Ų47.520%0.19625%0.253CS..PPolyproline II helixtrans-76.2157.3178550000111.7S307 W308S305-S307 PolarHBondContact O-N 3.31Å; S305-S307 PolarHBondContact OG-OG 3.27Å; S305-W308 WeakPolarHBondContact O-CB 3.25Å; S305-W308 PolarHBondContact O-N 3.04Å
306P89.1Confident87.8Confident1 Ų147 Ų471%0.00624%0.242CC..G310 helixtrans-54.6-25.7177.1-25.532.3000114.4Y183 W308 L309 L311 A315 E316Y183-P306 HydrophobicContact CE1-CB 4.22Å; Y183-P306 HydrophobicContact CE1-CG 4.04Å; P306-W308 PolarHBondContact O-N 2.98Å; P306-W308 VanDerWaalsContact O-N 3.17Å; P306-L309 WeakPolarHBondContact O-CA 3.31Å; P306-L309 WeakPolarHBondContact O-CB 3.4Å; P306-L309 PolarHBondContact O-N 3.23Å; P306-L311 CarbonylContact C-O 3.54Å; P306-L311 HydrophobicContact CB-CB 3.82Å; P306-L311 WeakPolarHBondContact O-CB 3.46Å; P306-L311 PolarHBondContact O-N 3.44Å; P306-L311 VanDerWaalsContact O-N 3.11Å; P306-A315 HydrophobicContact CB-CB 4.25Å; P306-E316 HydrophobicContact CG-CB 3.64Å
307S88.6Confident87.3Confident16 Ų1652.2 Ų52.211%0.11227%0.265CS..G310 helixtrans-58.1-26175.965.50000114Y275 S305 L309 G310 L311 N313Y275-S307 WeakPolarHBondContact CA-OG 3.13Å; Y275-S307 WeakPolarHBondContact CB-OG 3.4Å; S305-S307 PolarHBondContact O-N 3.31Å; S305-S307 PolarHBondContact OG-OG 3.27Å; S307-L309 PolarHBondContact O-N 3.5Å; S307-G310 PolarHBondContact O-N 2.92Å; S307-G310 VanDerWaalsContact O-N 3.1Å; S307-L311 WeakPolarHBondContact CA-O 3.37Å; S307-L311 PolarHBondContact N-O 3.47Å; S307-N313 WeakPolarHBondContact CB-OD1 3.44Å
308W91.5Very high86.6Confident10 Ų1052.8 Ų52.84%0.03827%0.269CS..G310 helixtrans-65.1-24174-73.249.9000112.2I140 W172 V272 Y275 L282 I300 Q304 S305 P306I140-W308 HydrophobicContact CB-CE3 4.47Å; I140-W308 HydrophobicContact CG2-CE3 4.33Å; W172-W308 AromaticContact CH2-CE3 3.66Å; W172-W308 HydrophobicContact CH2-CE3 3.66Å; W172-W308 AromaticContact CH2-CZ3 3.94Å; W172-W308 HydrophobicContact CH2-CZ3 3.94Å; W172-W308 HydrophobicContact CZ3-CE3 4.42Å; W172-W308 HydrophobicContact CZ3-CZ3 4.35Å; V272-W308 HydrophobicContact CG2-CB 4.34Å; V272-W308 HydrophobicContact CG2-CG 4.32Å; Y275-W308 HydrophobicContact CD2-CZ2 4.43Å; Y275-W308 AromaticContact CD2-NE1 3.45Å; Y275-W308 HydrophobicContact CE2-CZ2 4.34Å; Y275-W308 AromaticContact CG-NE1 3.39Å; L282-W308 HydrophobicContact CD1-CH2 3.92Å; L282-W308 HydrophobicContact CD1-CZ2 4.32Å; L282-W308 HydrophobicContact CD2-CD2 4.28Å; L282-W308 HydrophobicContact CD2-CE3 3.81Å; L282-W308 HydrophobicContact CD2-CH2 3.5Å; L282-W308 VanDerWaalsContact CD2-CH2 3.5Å; L282-W308 HydrophobicContact CD2-CZ2 4.01Å; L282-W308 HydrophobicContact CD2-CZ3 3.39Å; L282-W308 HydrophobicContact CG-CH2 4.33Å; I300-W308 HydrophobicContact CB-CH2 4.03Å; I300-W308 HydrophobicContact CB-CZ3 4.39Å; I300-W308 HydrophobicContact CD1-CH2 4.48Å; I300-W308 HydrophobicContact CD1-CZ3 4.01Å; I300-W308 HydrophobicContact CG2-CH2 4.12Å; I300-W308 HydrophobicContact CG2-CZ3 4.46Å; Q304-W308 HydrophobicContact CB-CB 4.49Å; Q304-W308 HydrophobicContact CB-CD2 3.86Å; Q304-W308 HydrophobicContact CB-CE3 4.07Å; Q304-W308 HydrophobicContact CB-CG 4.03Å; Q304-W308 HydrophobicContact CG-CD2 4.02Å; Q304-W308 HydrophobicContact CG-CE3 3.77Å; Q304-W308 HydrophobicContact CG-CH2 4.31Å; Q304-W308 HydrophobicContact CG-CZ3 3.92Å; S305-W308 WeakPolarHBondContact O-CB 3.25Å; S305-W308 PolarHBondContact O-N 3.04Å; P306-W308 PolarHBondContact O-N 2.98Å; P306-W308 VanDerWaalsContact O-N 3.17Å
309L92.2Very high86.2Confident7 Ų748.8 Ų48.84%0.03725%0.248CC..G310 helixtrans-95.75.8177.6-52.2176.7000112.2I140 V176 E179 R180 Y183 F255 P306 S307 L311I140-L309 HydrophobicContact CD1-CD2 3.68Å; I140-L309 HydrophobicContact CG1-CD2 4.07Å; V176-L309 HydrophobicContact CG1-CD2 4.42Å; V176-L309 HydrophobicContact CG2-CD2 4.42Å; E179-L309 HydrophobicContact CB-CD1 4Å; E179-L309 HydrophobicContact CB-CD2 3.64Å; E179-L309 HydrophobicContact CB-CG 4.49Å; R180-L309 HydrophobicContact CG-CB 3.99Å; R180-L309 HydrophobicContact CG-CD1 4.38Å; R180-L309 PolarHBondContact NH1-O 2.69Å; Y183-L309 HydrophobicContact CD2-CD1 3.82Å; Y183-L309 HydrophobicContact CE2-CD1 3.4Å; F255-L309 WeakPolarHBondContact CZ-O 3.19Å; P306-L309 WeakPolarHBondContact O-CA 3.31Å; P306-L309 WeakPolarHBondContact O-CB 3.4Å; P306-L309 PolarHBondContact O-N 3.23Å; S307-L309 PolarHBondContact O-N 3.5Å; L309-L311 HydrophobicContact CB-CD1 4.32Å; L309-L311 HydrophobicContact CB-CG 4.27Å; L309-L311 HydrophobicContact CD1-CD1 4.43Å; L309-L311 PolarHBondContact O-N 3.29Å
310G88.8Confident86Confident16 Ų1649.3 Ų49.317%0.16524%0.243CC..THydrogen-bonded Turntrans76.66.1-171.400000114.4S307 E622 R623S307-G310 PolarHBondContact O-N 2.92Å; S307-G310 VanDerWaalsContact O-N 3.1Å; G310-E622 CarbonylContact O-C 3.52Å; G310-R623 WeakPolarHBondContact O-CA 3.43Å; G310-R623 VanDerWaalsContact O-CG 3.23Å; G310-R623 WeakPolarHBondContact O-CG 3.45Å; G310-R623 PolarHBondContact O-N 3.07Å
311L89Confident85.5Confident4 Ų451.9 Ų51.92%0.02126%0.259CS..  trans-90152.6-179.4-64.9176.3000111.8Y183 I186 P306 S307 L309 A315Y183-L311 HydrophobicContact CD1-CD1 3.79Å; Y183-L311 HydrophobicContact CD2-CD1 3.85Å; Y183-L311 HydrophobicContact CE1-CD1 4.36Å; Y183-L311 HydrophobicContact CE2-CD1 4.44Å; Y183-L311 HydrophobicContact CG-CD1 3.5Å; Y183-L311 VanDerWaalsContact CG-CD1 3.5Å; I186-L311 HydrophobicContact CG2-CD2 3.88Å; P306-L311 CarbonylContact C-O 3.54Å; P306-L311 HydrophobicContact CB-CB 3.82Å; P306-L311 WeakPolarHBondContact O-CB 3.46Å; P306-L311 PolarHBondContact O-N 3.44Å; P306-L311 VanDerWaalsContact O-N 3.11Å; S307-L311 WeakPolarHBondContact CA-O 3.37Å; S307-L311 PolarHBondContact N-O 3.47Å; L309-L311 HydrophobicContact CB-CD1 4.32Å; L309-L311 HydrophobicContact CB-CG 4.27Å; L309-L311 HydrophobicContact CD1-CD1 4.43Å; L309-L311 PolarHBondContact O-N 3.29Å; L311-A315 HydrophobicContact CB-CB 4.24Å
312P83.9Confident85.1Confident11 Ų1145.3 Ų45.37%0.07124%0.236CC..  trans-67.5148.1175.131.1-36.4000111.1N314 A315P312-N314 WeakPolarHBondContact CB-OD1 3.45Å; P312-N314 WeakPolarHBondContact CG-OD1 3.14Å; P312-N314 PolarHBondContact O-N 2.86Å; P312-N314 VanDerWaalsContact O-N 3.12Å; P312-A315 HydrophobicContact CG-CB 4.27Å; P312-A315 WeakPolarHBondContact O-CB 3.46Å; P312-A315 PolarHBondContact O-N 3.32Å
313N83.5Confident85.2Confident77 Ų7742.8 Ų42.841%0.41222%0.22SC..THydrogen-bonded Turntrans-60.8-25.2-176.8-70.8-33.1000113.4S307 A315S307-N313 WeakPolarHBondContact CB-OD1 3.44Å; N313-A315 PolarHBondContact O-N 2.96Å
314N81.5Confident85.5Confident30 Ų3037.6 Ų37.616%0.1620%0.199CC..THydrogen-bonded Turntrans-71.5-14.6174.967.6-10.6000113.3P312 E316 K317 V318 P562 I564P312-N314 WeakPolarHBondContact CB-OD1 3.45Å; P312-N314 WeakPolarHBondContact CG-OD1 3.14Å; P312-N314 PolarHBondContact O-N 2.86Å; P312-N314 VanDerWaalsContact O-N 3.12Å; N314-E316 PolarHBondContact O-N 3.31Å; N314-K317 WeakPolarHBondContact O-CB 3.15Å; N314-K317 PolarHBondContact O-N 2.73Å; N314-V318 PolarHBondContact O-N 2.7Å; N314-P562 PolarHBondContact ND2-O 3.08Å; N314-I564 HydrophobicContact CB-CG1 4.11Å; N314-I564 WeakPolarHBondContact ND2-CA 3.11Å; N314-I564 WeakPolarHBondContact ND2-CG1 3.4Å; N314-I564 PolarHBondContact ND2-N 3.4Å
315A83.7Confident85.1Confident2 Ų240.1 Ų40.12%0.01721%0.211CC..Hα-helixtrans-61.3-32.8-17900000111.9Y183 P306 L311 P312 N313 V318 L319Y183-A315 HydrophobicContact CD1-CB 4.25Å; Y183-A315 HydrophobicContact CE1-CB 4.39Å; P306-A315 HydrophobicContact CB-CB 4.25Å; L311-A315 HydrophobicContact CB-CB 4.24Å; P312-A315 HydrophobicContact CG-CB 4.27Å; P312-A315 WeakPolarHBondContact O-CB 3.46Å; P312-A315 PolarHBondContact O-N 3.32Å; N313-A315 PolarHBondContact O-N 2.96Å; A315-V318 PolarHBondContact O-N 3.09Å; A315-L319 WeakPolarHBondContact O-CB 3.26Å; A315-L319 PolarHBondContact O-N 2.94Å
316E85.4Confident84.7Confident68 Ų6843 Ų4332%0.31822%0.222SC..Hα-helixtrans-63.7-42174-174.9169.8-16200111.6P306 N314 V318 L319 L320P306-E316 HydrophobicContact CG-CB 3.64Å; N314-E316 PolarHBondContact O-N 3.31Å; E316-V318 VanDerWaalsContact C-N 3.35Å; E316-V318 PolarHBondContact O-N 3.4Å; E316-L319 PolarHBondContact O-N 2.87Å; E316-L320 HydrophobicContact CG-CD1 3.98Å; E316-L320 HydrophobicContact CG-CG 4.32Å; E316-L320 WeakPolarHBondContact O-CB 3.3Å; E316-L320 VanDerWaalsContact O-CG 3.3Å; E316-L320 WeakPolarHBondContact O-CG 3.4Å; E316-L320 PolarHBondContact O-N 3.13Å
317K84.2Confident84.6Confident147 Ų14748.4 Ų48.464%0.63925%0.249SC*.Hα-helixtrans-62.1-43.1176.7-173.3-178.7179.5-177.70111.5N314 T321N314-K317 WeakPolarHBondContact O-CB 3.15Å; N314-K317 PolarHBondContact O-N 2.73Å; K317-T321 WeakPolarHBondContact O-CB 3.37Å; K317-T321 PolarHBondContact O-N 3.08Å; K317-T321 PolarHBondContact O-OG1 2.91Å
318V80.1Confident84.3Confident13 Ų1352.9 Ų52.98%0.07927%0.271CS..Hα-helixtrans-61.4-48.8175.5178.20000110I186 N314 A315 E316 L320 T321 L322 I564 L635I186-V318 HydrophobicContact CD1-CG1 4.13Å; N314-V318 PolarHBondContact O-N 2.7Å; A315-V318 PolarHBondContact O-N 3.09Å; E316-V318 VanDerWaalsContact C-N 3.35Å; E316-V318 PolarHBondContact O-N 3.4Å; V318-L320 PolarHBondContact O-N 3.47Å; V318-T321 PolarHBondContact O-N 3.21Å; V318-L322 HydrophobicContact CG1-CD1 4.07Å; V318-L322 WeakPolarHBondContact O-CB 3.4Å; V318-L322 WeakPolarHBondContact O-CG 3.25Å; V318-L322 PolarHBondContact O-N 2.97Å; V318-I564 HydrophobicContact CG2-CB 4.5Å; V318-I564 HydrophobicContact CG2-CD1 3.77Å; V318-I564 HydrophobicContact CG2-CG1 3.98Å; V318-I564 HydrophobicContact CG2-CG2 3.65Å; V318-L635 HydrophobicContact CG1-CB 4.48Å
319L82.9Confident83.5Confident17 Ų1756.4 Ų56.49%0.08929%0.286CS..Hα-helixtrans-59.6-45.9179.1177.461.7000112.8Q182 Y183 A315 E316 L322 R323Q182-L319 WeakPolarHBondContact O-CD1 3.36Å; Y183-L319 HydrophobicContact CD1-CB 4.37Å; Y183-L319 HydrophobicContact CD1-CD2 3.79Å; Y183-L319 HydrophobicContact CE1-CB 4.5Å; Y183-L319 HydrophobicContact CE1-CD2 3.68Å; Y183-L319 HydrophobicContact CG-CD2 4.27Å; A315-L319 WeakPolarHBondContact O-CB 3.26Å; A315-L319 PolarHBondContact O-N 2.94Å; E316-L319 PolarHBondContact O-N 2.87Å; L319-L322 WeakPolarHBondContact O-CB 3.25Å; L319-L322 PolarHBondContact O-N 2.93Å; L319-R323 HydrophobicContact CD1-CG 4.29Å; L319-R323 WeakPolarHBondContact O-CB 3.28Å; L319-R323 VanDerWaalsContact O-CG 3.31Å; L319-R323 WeakPolarHBondContact O-CG 3.43Å; L319-R323 PolarHBondContact O-N 3.02Å
320L86.3Confident83Confident100 Ų10063.1 Ų63.152%0.52432%0.315SS..Hα-helixtrans-67.5-38179.5-69.6175.5000111.8E316 V318 R323 G324E316-L320 HydrophobicContact CG-CD1 3.98Å; E316-L320 HydrophobicContact CG-CG 4.32Å; E316-L320 WeakPolarHBondContact O-CB 3.3Å; E316-L320 VanDerWaalsContact O-CG 3.3Å; E316-L320 WeakPolarHBondContact O-CG 3.4Å; E316-L320 PolarHBondContact O-N 3.13Å; V318-L320 PolarHBondContact O-N 3.47Å; L320-R323 PolarHBondContact O-N 3.11Å; L320-G324 PolarHBondContact O-N 3.26Å
321T81.9Confident82.7Confident65 Ų6567 Ų6740%0.39933%0.332SS..Hα-helixtrans-61.7-48.8174.5-570000110.6K317 V318 R323 G324 Q325K317-T321 WeakPolarHBondContact O-CB 3.37Å; K317-T321 PolarHBondContact O-N 3.08Å; K317-T321 PolarHBondContact O-OG1 2.91Å; V318-T321 PolarHBondContact O-N 3.21Å; T321-R323 PolarHBondContact O-N 3.1Å; T321-G324 PolarHBondContact O-N 3.21Å; T321-Q325 WeakPolarHBondContact O-CG 3.31Å; T321-Q325 PolarHBondContact O-N 3.24Å
322L76.6Confident81.9Confident26 Ų2672.4 Ų72.414%0.13636%0.36CS..Hα-helixtrans-56.6-48.8174.4-83.4169.1000112.7V318 L319 G324 Q325 M326 L635V318-L322 HydrophobicContact CG1-CD1 4.07Å; V318-L322 WeakPolarHBondContact O-CB 3.4Å; V318-L322 WeakPolarHBondContact O-CG 3.25Å; V318-L322 PolarHBondContact O-N 2.97Å; L319-L322 WeakPolarHBondContact O-CB 3.25Å; L319-L322 PolarHBondContact O-N 2.93Å; L322-G324 VanDerWaalsContact C-N 3.31Å; L322-G324 PolarHBondContact O-N 2.88Å; L322-Q325 PolarHBondContact O-N 3.11Å; L322-M326 HydrophobicContact CB-CE 4.45Å; L322-M326 WeakPolarHBondContact O-CB 3.12Å; L322-M326 WeakPolarHBondContact O-CG 3.48Å; L322-M326 PolarHBondContact O-N 2.94Å; L322-L635 HydrophobicContact CD1-CB 4.05Å; L322-L635 HydrophobicContact CD1-CD2 3.92Å; L322-L635 HydrophobicContact CD1-CG 4.46Å; L322-L635 HydrophobicContact CD2-CB 3.9Å; L322-L635 HydrophobicContact CD2-CD2 3.73Å; L322-L635 HydrophobicContact CD2-CG 4.43Å; L322-L635 WeakPolarHBondContact CD2-OXT 3.48Å; L322-L635 HydrophobicContact CG-CB 4.19Å; L322-L635 HydrophobicContact CG-CD2 4.43Å; L322-L635 WeakPolarHBondContact CG-OXT 3.24Å
323R83.7Confident81.3Confident103 Ų10378 Ų7839%0.38938%0.383SS..Hα-helixtrans-61.1-42.2177.9-75.2178.7-178.6-175.83.3110.9L319 L320 T321 M326 M327L319-R323 HydrophobicContact CD1-CG 4.29Å; L319-R323 WeakPolarHBondContact O-CB 3.28Å; L319-R323 VanDerWaalsContact O-CG 3.31Å; L319-R323 WeakPolarHBondContact O-CG 3.43Å; L319-R323 PolarHBondContact O-N 3.02Å; L320-R323 PolarHBondContact O-N 3.11Å; T321-R323 PolarHBondContact O-N 3.1Å; R323-M326 HydrophobicContact CG-CE 4.38Å; R323-M326 PolarHBondContact O-N 3.06Å; R323-M327 VanDerWaalsContact O-CB 3.27Å; R323-M327 WeakPolarHBondContact O-CB 3.04Å; R323-M327 PolarHBondContact O-N 3.45Å
324G86.9Confident80.8Confident26 Ų2678.3 Ų78.327%0.26839%0.388SS..Hα-helixtrans-60.6-49.1174.700000112.4L320 T321 L322 M326 M327 L328L320-G324 PolarHBondContact O-N 3.26Å; T321-G324 PolarHBondContact O-N 3.21Å; L322-G324 VanDerWaalsContact C-N 3.31Å; L322-G324 PolarHBondContact O-N 2.88Å; G324-M326 PolarHBondContact O-N 3.34Å; G324-M327 WeakPolarHBondContact O-CB 3.33Å; G324-M327 PolarHBondContact O-N 3.48Å; G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.14Å
325Q79.5Confident79.8Confident76 Ų7682.4 Ų82.436%0.35541%0.41SS..Hα-helixtrans-62.5-44.2176.8-69.4-178.815.400112.3T321 L322 M327 L328 K329T321-Q325 WeakPolarHBondContact O-CG 3.31Å; T321-Q325 PolarHBondContact O-N 3.24Å; L322-Q325 PolarHBondContact O-N 3.11Å; Q325-M327 VanDerWaalsContact C-N 3.32Å; Q325-M327 PolarHBondContact O-N 3.45Å; Q325-L328 PolarHBondContact O-N 2.9Å; Q325-K329 WeakPolarHBondContact O-CB 3.45Å; Q325-K329 VanDerWaalsContact O-CG 3.29Å; Q325-K329 WeakPolarHBondContact O-CG 3.35Å; Q325-K329 PolarHBondContact O-N 3.03Å
326M80Confident78.5Confident87 Ų8785.8 Ų85.843%0.42943%0.43SS..Hα-helixtrans-62.4-40.3176.6-77.1-169.1-72.900111.8L322 R323 G324 K329 K330L322-M326 HydrophobicContact CB-CE 4.45Å; L322-M326 WeakPolarHBondContact O-CB 3.12Å; L322-M326 WeakPolarHBondContact O-CG 3.48Å; L322-M326 PolarHBondContact O-N 2.94Å; R323-M326 HydrophobicContact CG-CE 4.38Å; R323-M326 PolarHBondContact O-N 3.06Å; G324-M326 PolarHBondContact O-N 3.34Å; M326-K329 PolarHBondContact O-N 2.96Å; M326-K330 WeakPolarHBondContact O-CB 3.2Å; M326-K330 VanDerWaalsContact O-CG 3.31Å; M326-K330 WeakPolarHBondContact O-CG 3.38Å; M326-K330 PolarHBondContact O-N 2.78Å
327M86.5Confident77Confident115 Ų11590.3 Ų90.357%0.56745%0.452SS*.Hα-helixtrans-61.3-50.4175.5-173.2-168.5-43.200110.7R323 G324 Q325 K329 K330 L331R323-M327 VanDerWaalsContact O-CB 3.27Å; R323-M327 WeakPolarHBondContact O-CB 3.04Å; R323-M327 PolarHBondContact O-N 3.45Å; G324-M327 WeakPolarHBondContact O-CB 3.33Å; G324-M327 PolarHBondContact O-N 3.48Å; Q325-M327 VanDerWaalsContact C-N 3.32Å; Q325-M327 PolarHBondContact O-N 3.45Å; M327-K329 PolarHBondContact O-N 3.29Å; M327-K330 PolarHBondContact O-N 3.12Å; M327-K330 VanDerWaalsContact O-N 3.15Å; M327-L331 HydrophobicContact CG-CD1 4.14Å; M327-L331 WeakPolarHBondContact O-CG 3.49Å; M327-L331 PolarHBondContact O-N 3.38Å
328L82.8Confident75.3Confident110 Ų11091.8 Ų91.858%0.57646%0.46SS*.Hα-helixtrans-59.5-44.2176.8-69.1171.5000111.9G324 Q325 K330 L331 L332G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.14Å; Q325-L328 PolarHBondContact O-N 2.9Å; L328-K330 VanDerWaalsContact C-N 3.33Å; L328-K330 PolarHBondContact O-N 2.9Å; L328-L331 PolarHBondContact O-N 3.14Å; L328-L332 WeakPolarHBondContact O-CG 3.09Å; L328-L332 PolarHBondContact O-N 2.83Å
329K74.8Confident73.5Confident84 Ų8498.4 Ų98.437%0.36549%0.491SS..Hα-helixtrans-60.2-41.5175.1-74.6176.4-175.7179.30111.9Q325 M326 M327 K333Q325-K329 WeakPolarHBondContact O-CB 3.45Å; Q325-K329 VanDerWaalsContact O-CG 3.29Å; Q325-K329 WeakPolarHBondContact O-CG 3.35Å; Q325-K329 PolarHBondContact O-N 3.03Å; M326-K329 PolarHBondContact O-N 2.96Å; M327-K329 PolarHBondContact O-N 3.29Å; K329-K333 WeakPolarHBondContact O-CG 3.36Å; K329-K333 PolarHBondContact O-N 2.86Å
330K80.7Confident71.7Confident149 Ų149106.5 Ų106.565%0.64853%0.528SS*.Hα-helixtrans-67.9-41.7176.7-74.8178.6178.5-174.50111.7M326 M327 L328 L332 K333 T334M326-K330 WeakPolarHBondContact O-CB 3.2Å; M326-K330 VanDerWaalsContact O-CG 3.31Å; M326-K330 WeakPolarHBondContact O-CG 3.38Å; M326-K330 PolarHBondContact O-N 2.78Å; M327-K330 PolarHBondContact O-N 3.12Å; M327-K330 VanDerWaalsContact O-N 3.15Å; L328-K330 VanDerWaalsContact C-N 3.33Å; L328-K330 PolarHBondContact O-N 2.9Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-L332 PolarHBondContact O-N 3.28Å; K330-K333 WeakPolarHBondContact O-CB 3.29Å; K330-K333 PolarHBondContact O-N 2.91Å; K330-T334 PolarHBondContact O-N 3.11Å
331L82.1Confident69.7Low97 Ų97104.4 Ų104.451%0.50852%0.517SS..Hα-helixtrans-64.7-34.4175.6-71.1172.2000112.8M327 L328 T334M327-L331 HydrophobicContact CG-CD1 4.14Å; M327-L331 WeakPolarHBondContact O-CG 3.49Å; M327-L331 PolarHBondContact O-N 3.38Å; L328-L331 PolarHBondContact O-N 3.14Å; L331-T334 PolarHBondContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.29Å
332L73.9Confident67.7Low117 Ų117105.4 Ų105.461%0.61353%0.532SS*.Hα-helixtrans-67.1-38.8173-74.6166.5000111.5L328 K330 T334 N335L328-L332 WeakPolarHBondContact O-CG 3.09Å; L328-L332 PolarHBondContact O-N 2.83Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-L332 PolarHBondContact O-N 3.28Å; L332-T334 VanDerWaalsContact C-N 3.32Å; L332-T334 PolarHBondContact O-N 3.43Å; L332-N335 PolarHBondContact O-N 2.93Å
333K71.5Confident65.9Low129 Ų129109.8 Ų109.856%0.56155%0.547SS*.Hα-helixtrans-64.4-33.9177.5-73.1179.6179.8-170.60113K329 K330 N335 V336 E337K329-K333 WeakPolarHBondContact O-CG 3.36Å; K329-K333 PolarHBondContact O-N 2.86Å; K330-K333 WeakPolarHBondContact O-CB 3.29Å; K330-K333 PolarHBondContact O-N 2.91Å; K333-N335 PolarHBondContact O-N 3.3Å; K333-V336 PolarHBondContact O-N 2.85Å; K333-V336 VanDerWaalsContact O-N 3.16Å; K333-E337 PolarHBondContact O-N 3.35Å
334T71.3Confident63.7Low84 Ų84110.5 Ų110.552%0.51556%0.563SS.*Hα-helixtrans-63.8-23.3177.452.60000113K330 L331 L332K330-T334 PolarHBondContact O-N 3.11Å; L331-T334 PolarHBondContact O-N 3.14Å; L331-T334 PolarHBondContact O-OG1 3.29Å; L332-T334 VanDerWaalsContact C-N 3.32Å; L332-T334 PolarHBondContact O-N 3.43Å
335N61.8Low61.4Low115 Ų115117.4 Ų117.462%0.61559%0.589SS**Hα-helixtrans-82.9-24.3176.6-63.2-7000113.1L332 K333L332-N335 PolarHBondContact O-N 2.93Å; K333-N335 PolarHBondContact O-N 3.3Å
336V55.5Low59.6Low73 Ų73117.9 Ų117.944%0.44260%0.597SS.*Hα-helixtrans-88.5-28-171.9178.40000112.4K333 E338 E339K333-V336 PolarHBondContact O-N 2.85Å; K333-V336 VanDerWaalsContact O-N 3.16Å; V336-E338 PolarHBondContact O-N 3.15Å; V336-E339 PolarHBondContact O-N 2.97Å
337E53.4Low57.7Low164 Ų164115.7 Ų115.777%0.76660%0.596SS**THydrogen-bonded Turntrans-67.6-13.9-179.6-70.9-176.7172.500113.8K333K333-E337 PolarHBondContact O-N 3.35Å
338E48.8Very low55.8Low177 Ų177114.3 Ų114.383%0.82760%0.603SS**THydrogen-bonded Turntrans-77.1-24.2173.8-70.8-173165.100113.2V336 E340V336-E338 PolarHBondContact O-N 3.15Å; E338-E340 PolarHBondContact O-N 3.21Å
339E43.2Very low53.9Low152 Ų152116 Ų11671%0.7161%0.613SS**  trans-96.961.7176-74.6-173.1161.700110.8V336 L341V336-E339 PolarHBondContact O-N 2.97Å; E339-L341 PolarHBondContact O-N 3.48Å
340E44Very low52.6Low188 Ų188113.6 Ų113.688%0.87961%0.609SS**  trans-66.392.6163.1-148.1173.4-156.700107.5E338 A342E338-E340 PolarHBondContact O-N 3.21Å; E340-A342 PolarHBondContact O-N 3.22Å
341L45.5Very low50.9Low55 Ų55110.5 Ų110.529%0.28861%0.611SS.*  trans-47.7103.9-176.7-76.1154.6000110.3E339 Y343 W358E339-L341 PolarHBondContact O-N 3.48Å; L341-Y343 VanDerWaalsContact C-N 3.28Å; L341-Y343 WeakPolarHBondContact O-CD2 3.25Å; L341-Y343 PolarHBondContact O-N 3.01Å; L341-W358 HydrophobicContact CD2-CG 4.36Å
342A38.6Very low49.2Very low86 Ų86113.4 Ų113.471%0.71163%0.627SS**  trans-58.799.8158.700000106.3E340 T344E340-A342 PolarHBondContact O-N 3.22Å; A342-T344 PolarHBondContact O-N 2.94Å
343Y40.5Very low48.1Very low118 Ų118117.4 Ų117.446%0.46363%0.634SS.*  trans-62.284.7168.4-71.7-89.1000107L341 E345 T435L341-Y343 VanDerWaalsContact C-N 3.28Å; L341-Y343 WeakPolarHBondContact O-CD2 3.25Å; L341-Y343 PolarHBondContact O-N 3.01Å; Y343-E345 PolarHBondContact O-N 2.8Å; Y343-T435 PolarHBondContact OH-OG1 2.96Å
344T37.4Very low47.4Very low118 Ų118115 Ų11572%0.72465%0.646SS**  trans-61.9121156.241.10000105A342 V346A342-T344 PolarHBondContact O-N 2.94Å; T344-V346 PolarHBondContact O-N 3.25Å
345E37.5Very low47.2Very low171 Ų171115.9 Ų115.980%0.79964%0.64SS**  trans-50.4116.9175.8-71.9-170.9144.200107.6Y343 G347Y343-E345 PolarHBondContact O-N 2.8Å; E345-G347 PolarHBondContact O-N 2.77Å
346V42.9Very low47.9Very low87 Ų87112.9 Ų112.953%0.52763%0.626SS.*  trans-72.371.2169.4-161.90000105.9T344 A350T344-V346 PolarHBondContact O-N 3.25Å; V346-A350 HydrophobicContact CG1-CB 4.3Å
347G39.4Very low49.1Very low41 Ų41116.3 Ų116.342%0.42364%0.637SS.*  trans-64.9154.916800000109E345 D349 A350E345-G347 PolarHBondContact O-N 2.77Å; G347-D349 PolarHBondContact O-N 2.88Å; G347-A350 WeakPolarHBondContact O-CB 3.5Å; G347-A350 PolarHBondContact O-N 3.39Å
348A46.9Very low50.4Low86 Ų86111.4 Ų111.471%0.71161%0.612SS**G310 helixtrans-53.8-24.5-177.900000113.5A350A348-A350 VanDerWaalsContact C-N 3.28Å; A348-A350 PolarHBondContact O-N 3.44Å
349D43Very low52.2Low146 Ų146103.3 Ų103.378%0.78158%0.575SS**G310 helixtrans-81.52.7179.6-64.4-22.3000114.5G347 A351G347-D349 PolarHBondContact O-N 2.88Å; D349-A351 PolarHBondContact O-N 3.03Å
350A46.3Very low54.2Low33 Ų3399.3 Ų99.327%0.27356%0.557SS.*G310 helixtrans-80.91.3170.400000113.2V346 G347 A348 D352 R353V346-A350 HydrophobicContact CG1-CB 4.3Å; G347-A350 WeakPolarHBondContact O-CB 3.5Å; G347-A350 PolarHBondContact O-N 3.39Å; A348-A350 VanDerWaalsContact C-N 3.28Å; A348-A350 PolarHBondContact O-N 3.44Å; A350-D352 PolarHBondContact O-N 3.24Å; A350-R353 PolarHBondContact O-N 2.99Å; A350-R353 VanDerWaalsContact O-O 3.07Å
351A46Very low56.2Low84 Ų8495.7 Ų95.769%0.69454%0.54SS*.G310 helixtrans-59.6-26.6176.500000113D349D349-A351 PolarHBondContact O-N 3.03Å
352D46.2Very low58.2Low158 Ų15893.6 Ų93.685%0.84553%0.529SS*.SBendtrans-97.1-18.1-176.4-157.742.5000113.9A350A350-D352 PolarHBondContact O-N 3.24Å
353R50.2Low60.7Low200 Ų20092.3 Ų92.376%0.75551%0.506SS*.SBendtrans-99.8109.2175.2-74.3-171.5-84.3-138.4-3.1108.9A350 R355A350-R353 PolarHBondContact O-N 2.99Å; A350-R353 VanDerWaalsContact O-O 3.07Å; R353-R355 PolarHBondContact O-N 2.88Å
354G57.3Low63.1Low79 Ų7990.3 Ų90.381%0.81450%0.503SS*.  trans-26.2115.2-175.400000114
355R66.9Low65.7Low103 Ų10386.1 Ų86.139%0.38948%0.481SS..  trans-52.9141-177.5-65.1177.1-171.5171.61.3110.1R353 Q357 G420 N421R353-R355 PolarHBondContact O-N 2.88Å; R355-Q357 PolarHBondContact O-N 3.45Å; R355-G420 PolarHBondContact NH1-O 3.42Å; R355-G420 VanDerWaalsContact NH1-O 3.1Å; R355-N421 PolarHBondContact NH1-O 3.32Å; R355-N421 PolarHBondContact NH2-O 2.7Å
356P77.6Confident68.4Low51 Ų5178 Ų7833%0.33144%0.443SS..  trans-62.9139.7-177.226.6-34.3000110.9W358 L359 I360P356-W358 VanDerWaalsContact C-N 3.26Å; P356-W358 HydrophobicContact CB-CG 4.45Å; P356-W358 HydrophobicContact CG-CZ2 4.29Å; P356-W358 PolarHBondContact O-N 3.3Å; P356-L359 HydrophobicContact CG-CB 4.01Å; P356-L359 WeakPolarHBondContact O-CB 3.44Å; P356-L359 PolarHBondContact O-N 3.09Å; P356-I360 PolarHBondContact O-N 3.45Å
357Q79.8Confident70.9Confident145 Ų14577.3 Ų77.368%0.67844%0.435SS*.Hα-helixtrans-57.8-36.4-173.5-171178.2600113R355 L359 I360 Q361R355-Q357 PolarHBondContact O-N 3.45Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.31Å; Q357-I360 PolarHBondContact O-N 2.92Å; Q357-Q361 WeakPolarHBondContact O-CG 3.5Å; Q357-Q361 PolarHBondContact O-N 3.25Å
358W81.1Confident73.5Confident61 Ų6180.9 Ų80.923%0.23144%0.44CS..Hα-helixtrans-60.5-34.5177.370.6-101.9000112.3L341 P356 Q361 M362 F434L341-W358 HydrophobicContact CD2-CG 4.36Å; P356-W358 VanDerWaalsContact C-N 3.26Å; P356-W358 HydrophobicContact CB-CG 4.45Å; P356-W358 HydrophobicContact CG-CZ2 4.29Å; P356-W358 PolarHBondContact O-N 3.3Å; W358-Q361 PolarHBondContact O-N 2.89Å; W358-M362 VanDerWaalsContact O-CB 3.28Å; W358-M362 WeakPolarHBondContact O-CB 3.24Å; W358-M362 PolarHBondContact O-N 2.96Å; W358-F434 HydrophobicContact CH2-CD1 4.14Å; W358-F434 HydrophobicContact CH2-CE1 4.38Å; W358-F434 AromaticContact CZ3-CD1 3.55Å; W358-F434 HydrophobicContact CZ3-CD1 3.55Å; W358-F434 AromaticContact CZ3-CE1 3.85Å; W358-F434 HydrophobicContact CZ3-CE1 3.85Å; W358-F434 HydrophobicContact CZ3-CG 4.26Å
359L85.2Confident75.9Confident8 Ų877.8 Ų77.84%0.04241%0.41CS..Hα-helixtrans-71.9-36.4179.6-174.866.9000111P356 Q357 M362 R363 F434P356-L359 HydrophobicContact CG-CB 4.01Å; P356-L359 WeakPolarHBondContact O-CB 3.44Å; P356-L359 PolarHBondContact O-N 3.09Å; Q357-L359 VanDerWaalsContact C-N 3.25Å; Q357-L359 PolarHBondContact O-N 3.31Å; L359-M362 PolarHBondContact O-N 2.73Å; L359-R363 WeakPolarHBondContact O-CB 3.42Å; L359-R363 PolarHBondContact O-N 3.39Å; L359-F434 HydrophobicContact CD1-CE1 3.9Å; L359-F434 HydrophobicContact CD1-CZ 4.1Å
360I85.3Confident78.4Confident68 Ų6872 Ų7235%0.34938%0.379SS..Hα-helixtrans-64.7-49.6174-59.4174.5000109.8P356 Q357 M362 R363 D364P356-I360 PolarHBondContact O-N 3.45Å; Q357-I360 PolarHBondContact O-N 2.92Å; I360-M362 VanDerWaalsContact C-N 3.29Å; I360-M362 PolarHBondContact O-N 3.13Å; I360-R363 WeakPolarHBondContact O-CB 3.29Å; I360-R363 PolarHBondContact O-N 3.4Å; I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 3.36Å
361Q87.4Confident80.6Confident111 Ų11177.1 Ų77.152%0.51940%0.402SS..Hα-helixtrans-58.1-42.5177.1-70.4174.33.600111.9Q357 W358 D364 A365Q357-Q361 WeakPolarHBondContact O-CG 3.5Å; Q357-Q361 PolarHBondContact O-N 3.25Å; W358-Q361 PolarHBondContact O-N 2.89Å; Q361-D364 PolarHBondContact O-N 3.2Å; Q361-A365 WeakPolarHBondContact O-CB 3.21Å; Q361-A365 PolarHBondContact O-N 3.13Å
362M87.7Confident82.9Confident11 Ų1176.1 Ų76.15%0.05439%0.387CS..Hα-helixtrans-67.8-39.4178.7-178.4146.1173.100112.8W358 L359 I360 D364 S366 L416 F434 I437W358-M362 VanDerWaalsContact O-CB 3.28Å; W358-M362 WeakPolarHBondContact O-CB 3.24Å; W358-M362 PolarHBondContact O-N 2.96Å; L359-M362 PolarHBondContact O-N 2.73Å; I360-M362 VanDerWaalsContact C-N 3.29Å; I360-M362 PolarHBondContact O-N 3.13Å; M362-D364 VanDerWaalsContact C-N 3.34Å; M362-S366 VanDerWaalsContact O-CB 3.27Å; M362-S366 WeakPolarHBondContact O-CB 3.29Å; M362-S366 PolarHBondContact O-N 3.42Å; M362-S366 PolarHBondContact O-OG 3.28Å; M362-L416 HydrophobicContact CE-CB 4.39Å; M362-L416 HydrophobicContact CE-CD1 3.39Å; M362-L416 HydrophobicContact CE-CD2 3.67Å; M362-L416 HydrophobicContact CE-CG 3.97Å; M362-F434 HydrophobicContact CE-CD1 3.3Å; M362-F434 HydrophobicContact CE-CE1 3.55Å; M362-F434 HydrophobicContact CE-CG 4.17Å; M362-F434 HydrophobicContact CG-CD1 4.38Å; M362-F434 HydrophobicContact CG-CE1 4.16Å; M362-F434 HydrophobicContact SD-CD1 3.22Å; M362-F434 WeakPolarHBondContact SD-CD1 3.32Å; M362-F434 HydrophobicContact SD-CE1 3.57Å; M362-F434 VanDerWaalsContact SD-CE1 3.57Å; M362-F434 HydrophobicContact SD-CG 4.36Å; M362-I437 HydrophobicContact CE-CB 3.91Å; M362-I437 HydrophobicContact CE-CD1 3.61Å; M362-I437 HydrophobicContact CE-CG1 4.34Å; M362-I437 HydrophobicContact CE-CG2 3.89Å; M362-I437 HydrophobicContact SD-CB 4.33Å; M362-I437 HydrophobicContact SD-CG2 3.96Å
363R89.6Confident85.2Confident60 Ų6068.9 Ų68.923%0.22635%0.348CS..Hα-helixtrans-58.7-49.2172.7-179.1-156.767.1-173.4-4.5110.2L359 I360 S366 M367 V417 N421L359-R363 WeakPolarHBondContact O-CB 3.42Å; L359-R363 PolarHBondContact O-N 3.39Å; I360-R363 WeakPolarHBondContact O-CB 3.29Å; I360-R363 PolarHBondContact O-N 3.4Å; R363-S366 PolarHBondContact O-N 2.92Å; R363-M367 HydrophobicContact CG-CE 3.83Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.67Å; R363-V417 HydrophobicContact CG-CG1 4.25Å; R363-V417 HydrophobicContact CG-CG2 4.49Å; R363-N421 VanDerWaalsContact CD-OD1 3.25Å; R363-N421 WeakPolarHBondContact CD-OD1 3.48Å
364D91.7Very high87.2Confident75 Ų7561.3 Ų61.340%0.40133%0.325SS..Hα-helixtrans-66-41.5-177.1-63.9-13.1000111.4I360 Q361 M362 M367 H368I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 3.36Å; Q361-D364 PolarHBondContact O-N 3.2Å; M362-D364 VanDerWaalsContact C-N 3.34Å; D364-M367 PolarHBondContact O-N 3.21Å; D364-H368 WeakPolarHBondContact O-CB 3.44Å; D364-H368 PolarHBondContact O-N 3.42Å
365A92.4Very high88.8Confident31 Ų3161.5 Ų61.526%0.25631%0.314SS..Hα-helixtrans-61.3-43.4172.300000112Q361 H368 W369Q361-A365 WeakPolarHBondContact O-CB 3.21Å; Q361-A365 PolarHBondContact O-N 3.13Å; A365-H368 WeakPolarHBondContact O-CB 3.39Å; A365-H368 PolarHBondContact O-N 3.19Å; A365-W369 HydrophobicContact CB-CH2 4.14Å; A365-W369 HydrophobicContact CB-CZ2 4.19Å; A365-W369 HydrophobicContact CB-CZ3 4.31Å; A365-W369 WeakPolarHBondContact O-CB 3.5Å; A365-W369 VanDerWaalsContact O-CD2 3.22Å; A365-W369 PolarHBondContact O-N 3.05Å
366S94.2Very high89.8Confident0 Ų061.1 Ų61.10%032%0.323CS..Hα-helixtrans-65.5-40.8179-58.10000112.1M362 R363 W369 L370M362-S366 VanDerWaalsContact O-CB 3.27Å; M362-S366 WeakPolarHBondContact O-CB 3.29Å; M362-S366 PolarHBondContact O-N 3.42Å; M362-S366 PolarHBondContact O-OG 3.28Å; R363-S366 PolarHBondContact O-N 2.92Å; S366-W369 PolarHBondContact O-N 2.73Å; S366-L370 WeakPolarHBondContact O-CB 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.38Å; S366-L370 PolarHBondContact O-N 3.09Å
367M94.3Very high90.4Very high73 Ų7359 Ų5936%0.3631%0.309SS..Hα-helixtrans-62.4-44.5172.6-71.1-169.2-16900111.4R363 D364 W369 L370 N371 V417R363-M367 HydrophobicContact CG-CE 3.83Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.67Å; D364-M367 PolarHBondContact O-N 3.21Å; M367-W369 PolarHBondContact O-N 2.78Å; M367-L370 PolarHBondContact O-N 2.94Å; M367-N371 VanDerWaalsContact O-CG 3.32Å; M367-N371 PolarHBondContact O-N 3.26Å; M367-N371 PolarHBondContact O-ND2 3.39Å; M367-V417 HydrophobicContact CE-CG1 3.61Å; M367-V417 HydrophobicContact CG-CG1 4.11Å; M367-V417 HydrophobicContact CG-CG2 3.69Å
368H94.8Very high90.9Very high116 Ų11657.4 Ų57.454%0.53731%0.305SS..Hα-helixtrans-58.7-47.7176.7177.867.4000111.4D364 A365 L370 N371 T372D364-H368 WeakPolarHBondContact O-CB 3.44Å; D364-H368 PolarHBondContact O-N 3.42Å; A365-H368 WeakPolarHBondContact O-CB 3.39Å; A365-H368 PolarHBondContact O-N 3.19Å; H368-L370 PolarHBondContact O-N 3.09Å; H368-N371 WeakPolarHBondContact O-CB 3.37Å; H368-N371 PolarHBondContact O-N 3.14Å; H368-N371 VanDerWaalsContact O-N 3.15Å; H368-T372 PolarHBondContact O-N 3.05Å; H368-T372 VanDerWaalsContact O-N 3.08Å; H368-T372 PolarHBondContact O-OG1 2.85Å
369W96.4Very high91.3Very high21 Ų2157.8 Ų57.88%0.0832%0.317CS..Hα-helixtrans-64.3-37.5177.9-65.8-28.1000113.9A365 S366 M367 N371 T372 L373 L413 I437 V457 I461A365-W369 HydrophobicContact CB-CH2 4.14Å; A365-W369 HydrophobicContact CB-CZ2 4.19Å; A365-W369 HydrophobicContact CB-CZ3 4.31Å; A365-W369 WeakPolarHBondContact O-CB 3.5Å; A365-W369 VanDerWaalsContact O-CD2 3.22Å; A365-W369 PolarHBondContact O-N 3.05Å; S366-W369 PolarHBondContact O-N 2.73Å; M367-W369 PolarHBondContact O-N 2.78Å; W369-N371 PolarHBondContact O-N 2.68Å; W369-T372 PolarHBondContact O-N 2.75Å; W369-L373 WeakPolarHBondContact O-CG 3.5Å; W369-L373 PolarHBondContact O-N 3.39Å; W369-L413 HydrophobicContact CB-CD1 3.92Å; W369-L413 HydrophobicContact CE3-CD2 3.7Å; W369-L413 HydrophobicContact CZ3-CD2 4.39Å; W369-I437 HydrophobicContact CH2-CG2 3.77Å; W369-I437 HydrophobicContact CZ3-CD1 4.45Å; W369-I437 HydrophobicContact CZ3-CG2 3.87Å; W369-V457 HydrophobicContact CE3-CG1 4.44Å; W369-V457 HydrophobicContact CH2-CB 4.19Å; W369-V457 HydrophobicContact CH2-CG1 3.58Å; W369-V457 HydrophobicContact CZ2-CB 4.34Å; W369-V457 HydrophobicContact CZ2-CG1 3.87Å; W369-V457 HydrophobicContact CZ3-CG1 3.89Å; W369-I461 HydrophobicContact CB-CD1 3.72Å; W369-I461 HydrophobicContact CB-CG2 4.1Å; W369-I461 HydrophobicContact CD2-CD1 3.2Å; W369-I461 HydrophobicContact CE3-CD1 3.58Å; W369-I461 HydrophobicContact CG-CD1 3.26Å; W369-I461 HydrophobicContact CG-CG1 4.47Å; W369-I461 HydrophobicContact CG-CG2 4.13Å; W369-I461 HydrophobicContact CZ2-CD1 4.35Å; W369-I461 HydrophobicContact CZ3-CD1 4.29Å
370L95.6Very high91.4Very high23 Ų2358 Ų5812%0.1232%0.318CS..Hα-helixtrans-61.3-31.9173.8-82167.2000112.9S366 M367 H368 R410 L413 V417S366-L370 WeakPolarHBondContact O-CB 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.38Å; S366-L370 PolarHBondContact O-N 3.09Å; M367-L370 PolarHBondContact O-N 2.94Å; H368-L370 PolarHBondContact O-N 3.09Å; L370-R410 HydrophobicContact CD2-CB 4.19Å; L370-R410 HydrophobicContact CD2-CG 4.26Å; L370-R410 PolarHBondContact O-NH1 2.85Å; L370-L413 HydrophobicContact CD1-CB 3.99Å; L370-L413 HydrophobicContact CD2-CB 3.77Å; L370-L413 HydrophobicContact CD2-CD1 4.17Å; L370-L413 HydrophobicContact CG-CB 3.65Å; L370-L413 HydrophobicContact CG-CD1 4.07Å; L370-V417 HydrophobicContact CD1-CG2 4.21Å
371N94.1Very high91.4Very high142 Ų14262.9 Ų62.976%0.75934%0.336SS*.Hα-helixtrans-78.3-31.2176.5-66.6-23.7000112.3M367 H368 W369M367-N371 VanDerWaalsContact O-CG 3.32Å; M367-N371 PolarHBondContact O-N 3.26Å; M367-N371 PolarHBondContact O-ND2 3.39Å; H368-N371 WeakPolarHBondContact O-CB 3.37Å; H368-N371 PolarHBondContact O-N 3.14Å; H368-N371 VanDerWaalsContact O-N 3.15Å; W369-N371 PolarHBondContact O-N 2.68Å
372T93.7Very high91Very high62 Ų6265.9 Ų65.938%0.3834%0.343SS..Hα-helixtrans-71.9-38.5174.1-51.60000111.9H368 W369 A465H368-T372 PolarHBondContact O-N 3.05Å; H368-T372 VanDerWaalsContact O-N 3.08Å; H368-T372 PolarHBondContact O-OG1 2.85Å; W369-T372 PolarHBondContact O-N 2.75Å; T372-A465 HydrophobicContact CG2-CB 4.2Å
373L94.3Very high90.5Very high6 Ų667.8 Ų67.83%0.03136%0.357CS..SBendtrans-76.3137.9-178.6-70.3167.7000111.3W369 L406 V409 R410 L413 I461 F464 A465W369-L373 WeakPolarHBondContact O-CG 3.5Å; W369-L373 PolarHBondContact O-N 3.39Å; L373-L406 HydrophobicContact CB-CD1 4.34Å; L373-L406 HydrophobicContact CD2-CD1 4.44Å; L373-V409 HydrophobicContact CD1-CG1 3.76Å; L373-R410 PolarHBondContact O-NH1 3.46Å; L373-L413 HydrophobicContact CD1-CD1 3.72Å; L373-I461 HydrophobicContact CD1-CG2 4.38Å; L373-I461 HydrophobicContact CD2-CG2 4.21Å; L373-I461 HydrophobicContact CG-CG2 4.07Å; L373-F464 HydrophobicContact CD2-CD1 3.68Å; L373-F464 HydrophobicContact CD2-CE1 4.28Å; L373-A465 HydrophobicContact CD2-CB 4.18Å
374P92.4Very high89.8Confident42 Ų4271 Ų7127%0.27338%0.383SS..  trans-54.3150.6169.5-27.537.8000112.2R410 V468P374-R410 WeakPolarHBondContact O-CD 3.45Å; P374-R410 PolarHBondContact O-NH1 3.39Å; P374-V468 HydrophobicContact CB-CG1 3.79Å; P374-V468 HydrophobicContact CG-CB 4.06Å; P374-V468 HydrophobicContact CG-CG1 3.59Å
375S89.8Confident88.8Confident83 Ų8372 Ų7258%0.5840%0.397SS*.SBendtrans-71.5-45-174520000113R410S375-R410 WeakPolarHBondContact O-CD 3.34Å; S375-R410 PolarHBondContact O-NE 2.71Å
376T89.6Confident88.2Confident94 Ų9471.8 Ų71.858%0.57739%0.391SS*.  trans-150.5149.9-178.156.10000110
377L89.4Confident87.4Confident8 Ų875.9 Ų75.94%0.04241%0.412CS..  trans-123119.6169.9177.164.2000108V399 A402 S403 L406 V468 F471 Q472 V475L377-V399 HydrophobicContact CD1-CG1 4.46Å; L377-V399 HydrophobicContact CD2-CG1 4.19Å; L377-V399 HydrophobicContact CG-CG1 4.2Å; L377-A402 HydrophobicContact CD2-CB 3.86Å; L377-S403 WeakPolarHBondContact O-CB 3.41Å; L377-S403 PolarHBondContact O-OG 3.23Å; L377-L406 HydrophobicContact CB-CD2 3.92Å; L377-V468 HydrophobicContact CB-CG1 4.42Å; L377-V468 HydrophobicContact CD2-CG1 4.45Å; L377-F471 HydrophobicContact CD1-CB 4.11Å; L377-F471 HydrophobicContact CD2-CB 3.82Å; L377-Q472 HydrophobicContact CD1-CB 4.22Å; L377-V475 HydrophobicContact CD1-CG2 4.15Å
378L90Very high86.8Confident111 Ų11180.2 Ų80.258%0.58143%0.429SS*.PPolyproline II helixtrans-70132.4-178.2-64.3171.7000110.6V399 V475L378-V399 WeakPolarHBondContact O-CG1 3.47Å; L378-V475 HydrophobicContact CB-CG1 4.16Å
379S89Confident86.4Confident69 Ų6976.6 Ų76.648%0.48341%0.413SS..PPolyproline II helixtrans-70.5139.3174.5600000111.2N400S379-N400 WeakPolarHBondContact CA-OD1 3.35Å; S379-N400 VanDerWaalsContact CB-OD1 3.24Å; S379-N400 WeakPolarHBondContact CB-OD1 3.36Å
380L86.9Confident86.1Confident12 Ų1275.8 Ų75.86%0.06341%0.411CS..PPolyproline II helixtrans-79.4136.8171.5-68.4178.7000110.2E396 V399 N400 V475 V478L380-E396 HydrophobicContact CB-CB 4.27Å; L380-E396 HydrophobicContact CB-CG 3.87Å; L380-V399 HydrophobicContact CD1-CB 4.16Å; L380-V399 HydrophobicContact CD1-CG1 4.47Å; L380-V399 HydrophobicContact CD1-CG2 3.99Å; L380-V399 HydrophobicContact CG-CB 4.33Å; L380-V399 HydrophobicContact CG-CG1 4.15Å; L380-N400 PolarHBondContact N-OD1 3.19Å; L380-N400 PolarHBondContact O-ND2 3.4Å; L380-V475 HydrophobicContact CD2-CB 4.49Å; L380-V475 HydrophobicContact CD2-CG1 4.37Å; L380-V475 HydrophobicContact CD2-CG2 4.09Å; L380-V475 HydrophobicContact CG-CG2 4.21Å; L380-V478 HydrophobicContact CD1-CG2 4.31Å; L380-V478 HydrophobicContact CD2-CB 4.13Å; L380-V478 HydrophobicContact CD2-CG1 3.79Å
381K85.5Confident85.7Confident170 Ų17075.2 Ų75.274%0.73941%0.407SS*.PPolyproline II helixtrans-102.6132.9-177.6-67-173.4-180-179.30112.1N386 Y392K381-N386 PolarHBondContact O-ND2 3.46Å; K381-Y392 PolarHBondContact O-OH 3.35Å
382R79.8Confident85.5Confident175 Ų17569.1 Ų69.166%0.6637%0.374SS*.PPolyproline II helixtrans-65.1138.5174.1-63.8-175.5-179.8178.62.1111.8E396R382-E396 WeakPolarHBondContact CD-OE1 3.44Å; R382-E396 WeakPolarHBondContact CG-OE1 3.24Å; R382-E396 VanDerWaalsContact CG-OE2 3.29Å; R382-E396 WeakPolarHBondContact CG-OE2 3.42Å; R382-E396 IonicContact CZ-OE1 3.76Å; R382-E396 IonicContact CZ-OE2 3.02Å; R382-E396 VanDerWaalsContact NE-CD 3.31Å; R382-E396 IonicContact NE-OE1 3.31Å; R382-E396 PolarHBondContact NE-OE1 2.87Å; R382-E396 IonicContact NE-OE2 3.52Å; R382-E396 PolarHBondContact NE-OE2 3.4Å; R382-E396 VanDerWaalsContact NE-OE2 3.09Å; R382-E396 IonicContact NH2-OE1 2.73Å; R382-E396 IonicContact NH2-OE2 2.73Å
383S77.7Confident85.3Confident51 Ų5170.7 Ų70.736%0.35737%0.373SS..  trans-137.4163.7168.8720000110.4S385 N386 I387S383-S385 PolarHBondContact O-N 2.93Å; S383-S385 PolarHBondContact OG-OG 3.31Å; S383-N386 PolarHBondContact N-ND2 3.27Å; S383-N386 PolarHBondContact N-OD1 2.91Å; S383-N386 PolarHBondContact O-N 3.25Å; S383-N386 PolarHBondContact O-OD1 3.29Å; S383-N386 PolarHBondContact OG-N 2.72Å; S383-N386 PolarHBondContact OG-ND2 2.85Å; S383-N386 PolarHBondContact OG-OD1 3.39Å; S383-I387 PolarHBondContact O-N 3.17Å
384V74.1Confident85.2Confident126 Ų12670.9 Ų70.976%0.76437%0.374SS*.THydrogen-bonded Turntrans-64.7-29.4-177.3-176.80000112.2I387V384-I387 WeakPolarHBondContact O-CG2 3.34Å
385S71.7Confident85.2Confident98 Ų9869 Ų6969%0.68536%0.361SS*.THydrogen-bonded Turntrans-78.3-42.6178.554.20000112.2S383S383-S385 PolarHBondContact O-N 2.93Å; S383-S385 PolarHBondContact OG-OG 3.31Å
386N78.5Confident85.3Confident25 Ų2565.6 Ų65.613%0.13434%0.336CS..G310 helixtrans-80.6-21.6-173.171.321.7000114.2K381 S383 K388 D389 Y392K381-N386 PolarHBondContact O-ND2 3.46Å; S383-N386 PolarHBondContact N-ND2 3.27Å; S383-N386 PolarHBondContact N-OD1 2.91Å; S383-N386 PolarHBondContact O-N 3.25Å; S383-N386 PolarHBondContact O-OD1 3.29Å; S383-N386 PolarHBondContact OG-N 2.72Å; S383-N386 PolarHBondContact OG-ND2 2.85Å; S383-N386 PolarHBondContact OG-OD1 3.39Å; N386-K388 PolarHBondContact O-N 3Å; N386-D389 PolarHBondContact O-N 3.18Å; N386-D389 VanDerWaalsContact O-N 3.14Å; N386-Y392 HydrophobicContact CB-CD1 3.55Å; N386-Y392 HydrophobicContact CB-CD2 3.79Å; N386-Y392 HydrophobicContact CB-CE1 3.74Å; N386-Y392 HydrophobicContact CB-CE2 3.91Å; N386-Y392 HydrophobicContact CB-CG 3.61Å; N386-Y392 VanDerWaalsContact CG-CD1 3.43Å; N386-Y392 VanDerWaalsContact CG-CZ 3.41Å; N386-Y392 WeakPolarHBondContact ND2-CE1 3.44Å; N386-Y392 PolarHBondContact ND2-OH 3.39Å; N386-Y392 VanDerWaalsContact ND2-OH 3.12Å; N386-Y392 WeakPolarHBondContact O-CB 3.47Å; N386-Y392 VanDerWaalsContact OD1-CE1 3.31Å; N386-Y392 WeakPolarHBondContact OD1-CE1 3.23Å
387I78.6Confident85.5Confident87 Ų8766.7 Ų66.745%0.44633%0.33SS..G310 helixtrans-65.2-24.5178.6-164.2167.3000113S383 V384 D389 R393S383-I387 PolarHBondContact O-N 3.17Å; V384-I387 WeakPolarHBondContact O-CG2 3.34Å; I387-D389 VanDerWaalsContact C-N 3.31Å; I387-R393 WeakPolarHBondContact O-CD 3.37Å; I387-R393 WeakPolarHBondContact O-CG 3.32Å; I387-R393 PolarHBondContact O-NE 2.54Å; I387-R393 VanDerWaalsContact O-NE 3.15Å
388K81.9Confident85.7Confident163 Ų16366.3 Ų66.371%0.70933%0.328SS*.G310 helixtrans-71.8-28.8177.2-66.4-173178.6-175.90111.9N386 P390N386-K388 PolarHBondContact O-N 3Å; K388-P390 VanDerWaalsContact O-CD 3.31Å; K388-P390 WeakPolarHBondContact O-CD 3.48Å
389D86.4Confident85.9Confident41 Ų4161 Ų6122%0.21930%0.3CS..  trans-78115.8-179.3-178.5-4.9000111N386 I387 M391 Y392 R393N386-D389 PolarHBondContact O-N 3.18Å; N386-D389 VanDerWaalsContact O-N 3.14Å; I387-D389 VanDerWaalsContact C-N 3.31Å; D389-M391 VanDerWaalsContact C-N 3.27Å; D389-M391 PolarHBondContact O-N 2.87Å; D389-M391 WeakPolarHBondContact OD1-CB 3.34Å; D389-M391 PolarHBondContact OD1-N 3.05Å; D389-Y392 PolarHBondContact O-N 2.91Å; D389-R393 PolarHBondContact O-N 3.33Å; D389-R393 VanDerWaalsContact O-N 3.11Å
390P88.2Confident86.2Confident4 Ų460 Ų603%0.02629%0.289CS..Hα-helixtrans-58-36.1175.5-22.133.8000113.7K388 F394 Q507 Q511K388-P390 VanDerWaalsContact O-CD 3.31Å; K388-P390 WeakPolarHBondContact O-CD 3.48Å; P390-F394 PolarHBondContact O-N 2.59Å; P390-F394 VanDerWaalsContact O-N 3.07Å; P390-Q507 HydrophobicContact CB-CB 3.86Å; P390-Q507 HydrophobicContact CG-CB 3.95Å; P390-Q511 VanDerWaalsContact CD-OE1 3.22Å
391M88.2Confident86.6Confident10 Ų1062.2 Ų62.25%0.04931%0.305CS..Hα-helixtrans-69-43.3-180-67.6-58.9-63.100110.9D389 F394 F395 Y501 A504 T505 F508 F540D389-M391 VanDerWaalsContact C-N 3.27Å; D389-M391 PolarHBondContact O-N 2.87Å; D389-M391 WeakPolarHBondContact OD1-CB 3.34Å; D389-M391 PolarHBondContact OD1-N 3.05Å; M391-F394 PolarHBondContact O-N 3.24Å; M391-F395 HydrophobicContact CE-CE2 3.67Å; M391-F395 HydrophobicContact CE-CZ 4.18Å; M391-F395 WeakPolarHBondContact O-CD2 3.33Å; M391-F395 PolarHBondContact O-N 3.11Å; M391-Y501 HydrophobicContact CE-CD2 4.22Å; M391-Y501 HydrophobicContact CE-CE2 3.66Å; M391-A504 HydrophobicContact SD-CB 3.93Å; M391-T505 HydrophobicContact CE-CG2 3.87Å; M391-T505 HydrophobicContact SD-CG2 3.69Å; M391-F508 HydrophobicContact CB-CD2 4.48Å; M391-F508 HydrophobicContact CG-CB 3.87Å; M391-F508 HydrophobicContact CG-CD2 3.71Å; M391-F508 HydrophobicContact CG-CG 3.87Å; M391-F508 HydrophobicContact SD-CB 4.38Å; M391-F540 HydrophobicContact CE-CE1 4.25Å; M391-F540 HydrophobicContact SD-CE1 4.27Å
392Y89Confident87.1Confident14 Ų1454.1 Ų54.16%0.05527%0.27CS..Hα-helixtrans-59.9-49.4175.5-174.1-85.9000111.3K381 N386 D389 F394 F395 E396 V478 I483K381-Y392 PolarHBondContact O-OH 3.35Å; N386-Y392 HydrophobicContact CB-CD1 3.55Å; N386-Y392 HydrophobicContact CB-CD2 3.79Å; N386-Y392 HydrophobicContact CB-CE1 3.74Å; N386-Y392 HydrophobicContact CB-CE2 3.91Å; N386-Y392 HydrophobicContact CB-CG 3.61Å; N386-Y392 VanDerWaalsContact CG-CD1 3.43Å; N386-Y392 VanDerWaalsContact CG-CZ 3.41Å; N386-Y392 WeakPolarHBondContact ND2-CE1 3.44Å; N386-Y392 PolarHBondContact ND2-OH 3.39Å; N386-Y392 VanDerWaalsContact ND2-OH 3.12Å; N386-Y392 WeakPolarHBondContact O-CB 3.47Å; N386-Y392 VanDerWaalsContact OD1-CE1 3.31Å; N386-Y392 WeakPolarHBondContact OD1-CE1 3.23Å; D389-Y392 PolarHBondContact O-N 2.91Å; Y392-F394 PolarHBondContact O-N 3.39Å; Y392-F395 PolarHBondContact O-N 3.32Å; Y392-E396 HydrophobicContact CD1-CB 4.34Å; Y392-E396 HydrophobicContact CE1-CB 4.02Å; Y392-E396 HydrophobicContact CE1-CG 4.15Å; Y392-E396 VanDerWaalsContact O-CB 3.25Å; Y392-E396 WeakPolarHBondContact O-CB 3.35Å; Y392-E396 PolarHBondContact O-N 3.11Å; Y392-V478 HydrophobicContact CD2-CG1 4.39Å; Y392-V478 HydrophobicContact CE2-CG1 3.66Å; Y392-I483 HydrophobicContact CD2-CD1 4.04Å
393R90.4Very high87.9Confident95 Ų9547 Ų4736%0.35825%0.248SC..Hα-helixtrans-56.5-39.9178.1-74.3-172.7-73.6132.92.1112.3I387 D389 R397I387-R393 WeakPolarHBondContact O-CD 3.37Å; I387-R393 WeakPolarHBondContact O-CG 3.32Å; I387-R393 PolarHBondContact O-NE 2.54Å; I387-R393 VanDerWaalsContact O-NE 3.15Å; D389-R393 PolarHBondContact O-N 3.33Å; D389-R393 VanDerWaalsContact O-N 3.11Å; R393-R397 PolarHBondContact O-N 3.37Å
394F92.5Very high88.8Confident10 Ų1048 Ų484%0.04425%0.254CS..Hα-helixtrans-63.4-55.8176.2170-96.9000111.7P390 M391 Y392 E396 R397 E398 L495 A500 Y501 A504P390-F394 PolarHBondContact O-N 2.59Å; P390-F394 VanDerWaalsContact O-N 3.07Å; M391-F394 PolarHBondContact O-N 3.24Å; Y392-F394 PolarHBondContact O-N 3.39Å; F394-E396 VanDerWaalsContact C-N 3.32Å; F394-E396 PolarHBondContact O-N 3.12Å; F394-R397 PolarHBondContact O-N 2.79Å; F394-E398 HydrophobicContact CD1-CG 4.47Å; F394-E398 HydrophobicContact CD2-CG 4.28Å; F394-E398 HydrophobicContact CE1-CG 3.9Å; F394-E398 HydrophobicContact CE2-CG 3.68Å; F394-E398 HydrophobicContact CZ-CG 3.46Å; F394-E398 VanDerWaalsContact CZ-CG 3.46Å; F394-E398 WeakPolarHBondContact O-CG 3.49Å; F394-E398 PolarHBondContact O-N 3.38Å; F394-E398 VanDerWaalsContact O-N 3.08Å; F394-L495 HydrophobicContact CE1-CD1 4.27Å; F394-L495 HydrophobicContact CE1-CD2 4.26Å; F394-L495 HydrophobicContact CZ-CD1 4.02Å; F394-L495 HydrophobicContact CZ-CD2 4.32Å; F394-A500 HydrophobicContact CD2-CB 3.89Å; F394-A500 VanDerWaalsContact CE2-C 3.5Å; F394-A500 HydrophobicContact CE2-CB 3.72Å; F394-Y501 HydrophobicContact CD1-CD2 4.03Å; F394-Y501 AromaticContact CE1-CD2 3.59Å; F394-Y501 HydrophobicContact CE1-CD2 3.59Å; F394-Y501 HydrophobicContact CE1-CG 4.23Å; F394-Y501 HydrophobicContact CZ-CD2 4.17Å; F394-Y501 HydrophobicContact CZ-CG 4.36Å; F394-A504 HydrophobicContact CB-CB 3.67Å; F394-A504 HydrophobicContact CD2-CB 4.43Å; F394-A504 HydrophobicContact CG-CB 4.03Å
395F92.1Very high89.8Confident4 Ų442.2 Ų42.22%0.01822%0.219CC..Hα-helixtrans-63.5-37.9-177.8-76.4-58.9000112.4M391 Y392 R397 E398 V399 V474 I490 Y501M391-F395 HydrophobicContact CE-CE2 3.67Å; M391-F395 HydrophobicContact CE-CZ 4.18Å; M391-F395 WeakPolarHBondContact O-CD2 3.33Å; M391-F395 PolarHBondContact O-N 3.11Å; Y392-F395 PolarHBondContact O-N 3.32Å; F395-R397 VanDerWaalsContact C-N 3.32Å; F395-R397 PolarHBondContact O-N 3.47Å; F395-E398 PolarHBondContact O-N 3.08Å; F395-V399 VanDerWaalsContact O-CB 3.31Å; F395-V399 WeakPolarHBondContact O-CB 3.5Å; F395-V399 WeakPolarHBondContact O-CG2 3.34Å; F395-V399 PolarHBondContact O-N 2.92Å; F395-V474 HydrophobicContact CB-CG1 3.87Å; F395-V474 HydrophobicContact CD1-CG1 3.62Å; F395-V474 HydrophobicContact CD1-CG2 4.07Å; F395-V474 HydrophobicContact CD2-CG1 4.33Å; F395-V474 HydrophobicContact CE1-CG1 4.21Å; F395-V474 HydrophobicContact CE1-CG2 4Å; F395-V474 HydrophobicContact CG-CG1 3.7Å; F395-I490 HydrophobicContact CE1-CD1 4.15Å; F395-I490 HydrophobicContact CZ-CD1 3.96Å; F395-I490 HydrophobicContact CZ-CG1 4.26Å; F395-Y501 HydrophobicContact CZ-CE2 4.05Å
396E92Very high91Very high10 Ų1037.7 Ų37.75%0.04719%0.187CC..Hα-helixtrans-56.5-47.2174.7-169.3-138.7147.500111.5L380 R382 Y392 F394 N400L380-E396 HydrophobicContact CB-CB 4.27Å; L380-E396 HydrophobicContact CB-CG 3.87Å; R382-E396 WeakPolarHBondContact CD-OE1 3.44Å; R382-E396 WeakPolarHBondContact CG-OE1 3.24Å; R382-E396 VanDerWaalsContact CG-OE2 3.29Å; R382-E396 WeakPolarHBondContact CG-OE2 3.42Å; R382-E396 IonicContact CZ-OE1 3.76Å; R382-E396 IonicContact CZ-OE2 3.02Å; R382-E396 VanDerWaalsContact NE-CD 3.31Å; R382-E396 IonicContact NE-OE1 3.31Å; R382-E396 PolarHBondContact NE-OE1 2.87Å; R382-E396 IonicContact NE-OE2 3.52Å; R382-E396 PolarHBondContact NE-OE2 3.4Å; R382-E396 VanDerWaalsContact NE-OE2 3.09Å; R382-E396 IonicContact NH2-OE1 2.73Å; R382-E396 IonicContact NH2-OE2 2.73Å; Y392-E396 HydrophobicContact CD1-CB 4.34Å; Y392-E396 HydrophobicContact CE1-CB 4.02Å; Y392-E396 HydrophobicContact CE1-CG 4.15Å; Y392-E396 VanDerWaalsContact O-CB 3.25Å; Y392-E396 WeakPolarHBondContact O-CB 3.35Å; Y392-E396 PolarHBondContact O-N 3.11Å; F394-E396 VanDerWaalsContact C-N 3.32Å; F394-E396 PolarHBondContact O-N 3.12Å; E396-N400 VanDerWaalsContact O-CB 3.22Å; E396-N400 WeakPolarHBondContact O-CB 3.45Å; E396-N400 PolarHBondContact O-N 2.88Å; E396-N400 PolarHBondContact O-ND2 3.46Å
397R93Very high91.9Very high117 Ų11739.2 Ų39.244%0.44220%0.203SC..Hα-helixtrans-63.8-45.1178.4-171.5-175.470.7-178.63.6112.2R393 F394 F395 S401R393-R397 PolarHBondContact O-N 3.37Å; F394-R397 PolarHBondContact O-N 2.79Å; F395-R397 VanDerWaalsContact C-N 3.32Å; F395-R397 PolarHBondContact O-N 3.47Å; R397-S401 WeakPolarHBondContact O-CB 3.46Å; R397-S401 PolarHBondContact O-N 2.89Å; R397-S401 VanDerWaalsContact O-N 3.08Å; R397-S401 PolarHBondContact O-OG 2.82Å
398E94.3Very high92.7Very high1 Ų138.5 Ų38.51%0.00520%0.2CC..Hα-helixtrans-65.8-49.3-179.2-69-73.6110.900111.4F394 F395 N400 S401 A402 F471 L496 S497F394-E398 HydrophobicContact CD1-CG 4.47Å; F394-E398 HydrophobicContact CD2-CG 4.28Å; F394-E398 HydrophobicContact CE1-CG 3.9Å; F394-E398 HydrophobicContact CE2-CG 3.68Å; F394-E398 HydrophobicContact CZ-CG 3.46Å; F394-E398 VanDerWaalsContact CZ-CG 3.46Å; F394-E398 WeakPolarHBondContact O-CG 3.49Å; F394-E398 PolarHBondContact O-N 3.38Å; F394-E398 VanDerWaalsContact O-N 3.08Å; F395-E398 PolarHBondContact O-N 3.08Å; E398-N400 PolarHBondContact O-N 3.37Å; E398-S401 PolarHBondContact O-N 2.95Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.86Å; E398-F471 HydrophobicContact CB-CE1 3.77Å; E398-F471 HydrophobicContact CB-CZ 4.24Å; E398-L496 WeakPolarHBondContact OE2-CA 3.43Å; E398-L496 WeakPolarHBondContact OE2-CB 3.26Å; E398-L496 PolarHBondContact OE2-N 3.32Å; E398-S497 WeakPolarHBondContact OE1-CB 3.42Å; E398-S497 PolarHBondContact OE1-N 2.65Å; E398-S497 PolarHBondContact OE1-OG 2.98Å; E398-S497 PolarHBondContact OE2-N 2.84Å
399V94.7Very high93.4Very high0 Ų030.7 Ų30.70%017%0.166CC..Hα-helixtrans-62.2-44.5179.9171.60000111L377 L378 L380 F395 S401 A402 S403 F471 V474 V475L377-V399 HydrophobicContact CD1-CG1 4.46Å; L377-V399 HydrophobicContact CD2-CG1 4.19Å; L377-V399 HydrophobicContact CG-CG1 4.2Å; L378-V399 WeakPolarHBondContact O-CG1 3.47Å; L380-V399 HydrophobicContact CD1-CB 4.16Å; L380-V399 HydrophobicContact CD1-CG1 4.47Å; L380-V399 HydrophobicContact CD1-CG2 3.99Å; L380-V399 HydrophobicContact CG-CB 4.33Å; L380-V399 HydrophobicContact CG-CG1 4.15Å; F395-V399 VanDerWaalsContact O-CB 3.31Å; F395-V399 WeakPolarHBondContact O-CB 3.5Å; F395-V399 WeakPolarHBondContact O-CG2 3.34Å; F395-V399 PolarHBondContact O-N 2.92Å; V399-S401 VanDerWaalsContact C-N 3.32Å; V399-S401 PolarHBondContact O-N 2.96Å; V399-A402 PolarHBondContact O-N 3.25Å; V399-S403 VanDerWaalsContact O-CB 3.27Å; V399-S403 WeakPolarHBondContact O-CB 3.24Å; V399-S403 PolarHBondContact O-N 3.42Å; V399-F471 HydrophobicContact CG2-CB 4.19Å; V399-F471 HydrophobicContact CG2-CD1 3.95Å; V399-F471 HydrophobicContact CG2-CG 4.39Å; V399-V474 HydrophobicContact CG2-CG1 4.33Å; V399-V475 HydrophobicContact CG1-CG2 3.55Å; V399-V475 HydrophobicContact CG2-CG2 4.18Å
400N95.3Very high93.9Very high46 Ų4631.5 Ų31.525%0.24617%0.166CC..Hα-helixtrans-66.5-36.8-179.8-70-10.9000111.6S379 L380 E396 E398 C404S379-N400 WeakPolarHBondContact CA-OD1 3.35Å; S379-N400 VanDerWaalsContact CB-OD1 3.24Å; S379-N400 WeakPolarHBondContact CB-OD1 3.36Å; L380-N400 PolarHBondContact N-OD1 3.19Å; L380-N400 PolarHBondContact O-ND2 3.4Å; E396-N400 VanDerWaalsContact O-CB 3.22Å; E396-N400 WeakPolarHBondContact O-CB 3.45Å; E396-N400 PolarHBondContact O-N 2.88Å; E396-N400 PolarHBondContact O-ND2 3.46Å; E398-N400 PolarHBondContact O-N 3.37Å; N400-C404 WeakPolarHBondContact O-CB 3.37Å; N400-C404 PolarHBondContact O-N 3.46Å; N400-C404 VanDerWaalsContact O-N 3.09Å
401S95.1Very high94.3Very high59 Ų5936 Ų3641%0.41319%0.187SC..Hα-helixtrans-67-43.4174.4-57.40000111.5R397 E398 V399 L405R397-S401 WeakPolarHBondContact O-CB 3.46Å; R397-S401 PolarHBondContact O-N 2.89Å; R397-S401 VanDerWaalsContact O-N 3.08Å; R397-S401 PolarHBondContact O-OG 2.82Å; E398-S401 PolarHBondContact O-N 2.95Å; V399-S401 VanDerWaalsContact C-N 3.32Å; V399-S401 PolarHBondContact O-N 2.96Å; S401-L405 WeakPolarHBondContact O-CB 3.45Å; S401-L405 PolarHBondContact O-N 2.85Å
402A95.8Very high94.7Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-65.1-39.7176.500000112.2L377 E398 V399 L405 L406 F471 L496L377-A402 HydrophobicContact CD2-CB 3.86Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.86Å; V399-A402 PolarHBondContact O-N 3.25Å; A402-L405 PolarHBondContact O-N 3.41Å; A402-L406 WeakPolarHBondContact O-CB 3.48Å; A402-L406 PolarHBondContact O-N 3.29Å; A402-F471 HydrophobicContact CB-CD2 3.47Å; A402-F471 VanDerWaalsContact CB-CD2 3.47Å; A402-F471 HydrophobicContact CB-CE2 3.61Å; A402-F471 HydrophobicContact CB-CG 4.22Å; A402-F471 HydrophobicContact CB-CZ 4.44Å; A402-L496 HydrophobicContact CB-CD1 4.09Å
403S96.3Very high95Very high27 Ų2735.5 Ų35.519%0.18919%0.185CC..Hα-helixtrans-63.6-45.9177.9177.70000111.2L377 V399 L406 A407L377-S403 WeakPolarHBondContact O-CB 3.41Å; L377-S403 PolarHBondContact O-OG 3.23Å; V399-S403 VanDerWaalsContact O-CB 3.27Å; V399-S403 WeakPolarHBondContact O-CB 3.24Å; V399-S403 PolarHBondContact O-N 3.42Å; S403-L406 PolarHBondContact O-N 2.9Å; S403-A407 WeakPolarHBondContact O-CB 3.39Å; S403-A407 PolarHBondContact O-N 2.94Å
404C95.9Very high95.3Very high71 Ų7134.1 Ų34.148%0.4819%0.187SC..Hα-helixtrans-61.2-45.1174.2-177.20000111.8N400 A407 N408N400-C404 WeakPolarHBondContact O-CB 3.37Å; N400-C404 PolarHBondContact O-N 3.46Å; N400-C404 VanDerWaalsContact O-N 3.09Å; C404-A407 PolarHBondContact O-N 3.44Å; C404-N408 PolarHBondContact O-N 3.05Å; C404-N408 PolarHBondContact O-ND2 3.24Å
405L96.4Very high95.4Very high5 Ų534.5 Ų34.53%0.02619%0.189CC..Hα-helixtrans-62.3-44.6176.6178.458.1000112.1S401 A402 A407 N408 V409 R448 Y449 W460 F464S401-L405 WeakPolarHBondContact O-CB 3.45Å; S401-L405 PolarHBondContact O-N 2.85Å; A402-L405 PolarHBondContact O-N 3.41Å; L405-A407 PolarHBondContact O-N 2.81Å; L405-N408 PolarHBondContact O-N 2.85Å; L405-V409 HydrophobicContact CD1-CG2 3.89Å; L405-V409 HydrophobicContact CG-CG2 4.28Å; L405-V409 VanDerWaalsContact O-CG2 3.23Å; L405-V409 WeakPolarHBondContact O-CG2 3.43Å; L405-V409 PolarHBondContact O-N 3.26Å; L405-R448 HydrophobicContact CD1-CG 3.82Å; L405-R448 HydrophobicContact CD2-CB 4.09Å; L405-R448 HydrophobicContact CD2-CG 4.26Å; L405-R448 HydrophobicContact CG-CG 4.5Å; L405-Y449 HydrophobicContact CD2-CD1 4.18Å; L405-Y449 HydrophobicContact CD2-CE1 3.95Å; L405-W460 HydrophobicContact CD2-CZ2 4.37Å; L405-F464 HydrophobicContact CB-CZ 4.17Å; L405-F464 HydrophobicContact CD2-CD2 4.29Å; L405-F464 HydrophobicContact CD2-CE2 3.58Å; L405-F464 HydrophobicContact CD2-CZ 3.82Å; L405-F464 HydrophobicContact CG-CE1 4.41Å; L405-F464 HydrophobicContact CG-CE2 4.03Å; L405-F464 HydrophobicContact CG-CZ 3.71Å
406L96.9Very high95.5Very high3 Ų334.3 Ų34.32%0.01619%0.189CC..Hα-helixtrans-60.3-46177.5178.565.7000111.2L373 L377 A402 S403 N408 V409 R410 F464 V468L373-L406 HydrophobicContact CB-CD1 4.34Å; L373-L406 HydrophobicContact CD2-CD1 4.44Å; L377-L406 HydrophobicContact CB-CD2 3.92Å; A402-L406 WeakPolarHBondContact O-CB 3.48Å; A402-L406 PolarHBondContact O-N 3.29Å; S403-L406 PolarHBondContact O-N 2.9Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 3.01Å; L406-V409 PolarHBondContact O-N 2.94Å; L406-R410 HydrophobicContact CD1-CG 4.01Å; L406-R410 HydrophobicContact CG-CG 4.36Å; L406-R410 WeakPolarHBondContact O-CB 3.3Å; L406-R410 VanDerWaalsContact O-CG 3.29Å; L406-R410 WeakPolarHBondContact O-CG 3.28Å; L406-R410 PolarHBondContact O-N 2.8Å; L406-F464 HydrophobicContact CB-CE1 4.25Å; L406-F464 HydrophobicContact CB-CZ 4.14Å; L406-F464 HydrophobicContact CD1-CE1 3.97Å; L406-V468 HydrophobicContact CD1-CG2 4.38Å; L406-V468 HydrophobicContact CD2-CG1 3.83Å
407A96.4Very high95.6Very high57 Ų5734.8 Ų34.847%0.47119%0.192SC..Hα-helixtrans-58.4-45.4176.800000111.5S403 C404 L405 Q411S403-A407 WeakPolarHBondContact O-CB 3.39Å; S403-A407 PolarHBondContact O-N 2.94Å; C404-A407 PolarHBondContact O-N 3.44Å; L405-A407 PolarHBondContact O-N 2.81Å; A407-Q411 VanDerWaalsContact O-CB 3.3Å; A407-Q411 WeakPolarHBondContact O-CB 3.43Å; A407-Q411 PolarHBondContact O-N 3.21Å
408N95.8Very high95.6Very high71 Ų7130 Ų3038%0.3818%0.178SC..Hα-helixtrans-62.9-47.7177.6-66.5-23.6000112.1C404 L405 L406 R410 Q411 D412C404-N408 PolarHBondContact O-N 3.05Å; C404-N408 PolarHBondContact O-ND2 3.24Å; L405-N408 PolarHBondContact O-N 2.85Å; L406-N408 VanDerWaalsContact C-N 3.32Å; L406-N408 PolarHBondContact O-N 3.01Å; N408-R410 PolarHBondContact O-N 2.97Å; N408-Q411 PolarHBondContact O-N 3.39Å; N408-D412 WeakPolarHBondContact O-CB 3.42Å; N408-D412 VanDerWaalsContact O-CG 3.31Å; N408-D412 PolarHBondContact O-N 2.69Å
409V96.7Very high95.4Very high0 Ų030.7 Ų30.70%018%0.181CC..Hα-helixtrans-63.2-43.9179.8173.10000110.9L373 L405 L406 D412 L413 W446 W460 F464L373-V409 HydrophobicContact CD1-CG1 3.76Å; L405-V409 HydrophobicContact CD1-CG2 3.89Å; L405-V409 HydrophobicContact CG-CG2 4.28Å; L405-V409 VanDerWaalsContact O-CG2 3.23Å; L405-V409 WeakPolarHBondContact O-CG2 3.43Å; L405-V409 PolarHBondContact O-N 3.26Å; L406-V409 PolarHBondContact O-N 2.94Å; V409-D412 PolarHBondContact O-N 2.78Å; V409-L413 HydrophobicContact CG1-CD1 4.03Å; V409-L413 HydrophobicContact CG1-CG 4.4Å; V409-L413 WeakPolarHBondContact O-CB 3.32Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.41Å; V409-L413 PolarHBondContact O-N 2.83Å; V409-W446 HydrophobicContact CG1-CD2 4.47Å; V409-W446 HydrophobicContact CG1-CH2 4.38Å; V409-W446 HydrophobicContact CG1-CZ2 4.22Å; V409-W446 HydrophobicContact CG2-CD2 4.04Å; V409-W446 HydrophobicContact CG2-CG 3.93Å; V409-W460 HydrophobicContact CG1-CZ3 4.31Å; V409-W460 HydrophobicContact CG2-CH2 3.77Å; V409-W460 HydrophobicContact CG2-CZ3 4.18Å; V409-F464 HydrophobicContact CG2-CE1 4.48Å
410R97.1Very high95Very high57 Ų5730.9 Ų30.922%0.21518%0.183CC..Hα-helixtrans-64.8-40.6177.2-70.4-171.773.17611.8111.7L370 L373 P374 S375 L406 N408 L413 T414L370-R410 HydrophobicContact CD2-CB 4.19Å; L370-R410 HydrophobicContact CD2-CG 4.26Å; L370-R410 PolarHBondContact O-NH1 2.85Å; L373-R410 PolarHBondContact O-NH1 3.46Å; P374-R410 WeakPolarHBondContact O-CD 3.45Å; P374-R410 PolarHBondContact O-NH1 3.39Å; S375-R410 WeakPolarHBondContact O-CD 3.34Å; S375-R410 PolarHBondContact O-NE 2.71Å; L406-R410 HydrophobicContact CD1-CG 4.01Å; L406-R410 HydrophobicContact CG-CG 4.36Å; L406-R410 WeakPolarHBondContact O-CB 3.3Å; L406-R410 VanDerWaalsContact O-CG 3.29Å; L406-R410 WeakPolarHBondContact O-CG 3.28Å; L406-R410 PolarHBondContact O-N 2.8Å; N408-R410 PolarHBondContact O-N 2.97Å; R410-L413 PolarHBondContact O-N 3.21Å; R410-T414 VanDerWaalsContact O-CB 3.29Å; R410-T414 WeakPolarHBondContact O-CB 3.48Å; R410-T414 PolarHBondContact O-N 3.22Å; R410-T414 PolarHBondContact O-OG1 3.34Å
411Q96.1Very high94.7Very high100 Ų10030.9 Ų30.947%0.46718%0.183SC..Hα-helixtrans-62.2-47.8176-175.459.453.200110.7A407 N408 L413 T414 D415A407-Q411 VanDerWaalsContact O-CB 3.3Å; A407-Q411 WeakPolarHBondContact O-CB 3.43Å; A407-Q411 PolarHBondContact O-N 3.21Å; N408-Q411 PolarHBondContact O-N 3.39Å; Q411-L413 PolarHBondContact O-N 2.79Å; Q411-T414 PolarHBondContact O-N 2.91Å; Q411-D415 PolarHBondContact NE2-OD1 2.87Å; Q411-D415 PolarHBondContact NE2-OD2 2.84Å; Q411-D415 WeakPolarHBondContact O-CB 3.27Å; Q411-D415 PolarHBondContact O-N 3.23Å
412D96.4Very high94.2Very high13 Ų1331 Ų317%0.0719%0.194CC..Hα-helixtrans-55.6-52175.7-76.7-14.7000110.8N408 V409 T414 D415 L416 H429 L433 W446N408-D412 WeakPolarHBondContact O-CB 3.42Å; N408-D412 VanDerWaalsContact O-CG 3.31Å; N408-D412 PolarHBondContact O-N 2.69Å; V409-D412 PolarHBondContact O-N 2.78Å; D412-T414 PolarHBondContact O-N 3.13Å; D412-D415 WeakPolarHBondContact O-CB 3.14Å; D412-D415 PolarHBondContact O-N 3.04Å; D412-L416 VanDerWaalsContact O-CG 3.22Å; D412-L416 WeakPolarHBondContact O-CG 3.47Å; D412-L416 PolarHBondContact O-N 3.45Å; D412-H429 IonicContact OD1-CD2 3.58Å; D412-H429 IonicContact OD1-CE1 3.89Å; D412-H429 IonicContact OD1-NE2 2.79Å; D412-H429 PolarHBondContact OD1-NE2 2.89Å; D412-H429 IonicContact OD2-CE1 3.93Å; D412-H429 IonicContact OD2-NE2 3.45Å; D412-H429 PolarHBondContact OD2-NE2 3.12Å; D412-L433 HydrophobicContact CB-CD1 3.75Å; D412-W446 HydrophobicContact CB-CZ2 4.08Å; D412-W446 PolarHBondContact OD2-NE1 2.9Å
413L96.2Very high93.9Very high0 Ų038.2 Ų38.20%023%0.228CC..Hα-helixtrans-63.1-39.9179.1-68.1175.5000113W369 L370 L373 V409 R410 Q411 D415 L416 V417 W446W369-L413 HydrophobicContact CB-CD1 3.92Å; W369-L413 HydrophobicContact CE3-CD2 3.7Å; W369-L413 HydrophobicContact CZ3-CD2 4.39Å; L370-L413 HydrophobicContact CD1-CB 3.99Å; L370-L413 HydrophobicContact CD2-CB 3.77Å; L370-L413 HydrophobicContact CD2-CD1 4.17Å; L370-L413 HydrophobicContact CG-CB 3.65Å; L370-L413 HydrophobicContact CG-CD1 4.07Å; L373-L413 HydrophobicContact CD1-CD1 3.72Å; V409-L413 HydrophobicContact CG1-CD1 4.03Å; V409-L413 HydrophobicContact CG1-CG 4.4Å; V409-L413 WeakPolarHBondContact O-CB 3.32Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.41Å; V409-L413 PolarHBondContact O-N 2.83Å; R410-L413 PolarHBondContact O-N 3.21Å; Q411-L413 PolarHBondContact O-N 2.79Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 2.86Å; L413-L416 HydrophobicContact CD2-CD1 4.41Å; L413-L416 PolarHBondContact O-N 3.11Å; L413-V417 WeakPolarHBondContact O-CG2 3.47Å; L413-V417 PolarHBondContact O-N 3.1Å; L413-W446 HydrophobicContact CD2-CH2 3.87Å; L413-W446 HydrophobicContact CD2-CZ2 4.36Å; L413-W446 HydrophobicContact CG-CH2 4.3Å; L413-W446 HydrophobicContact CG-CZ2 4.47Å
414T96Very high93.6Very high66 Ų6640.5 Ų40.541%0.40523%0.234SC..Hα-helixtrans-62.8-41.1176.6-57.70000110.5R410 Q411 D412 V417 A418R410-T414 VanDerWaalsContact O-CB 3.29Å; R410-T414 WeakPolarHBondContact O-CB 3.48Å; R410-T414 PolarHBondContact O-N 3.22Å; R410-T414 PolarHBondContact O-OG1 3.34Å; Q411-T414 PolarHBondContact O-N 2.91Å; D412-T414 PolarHBondContact O-N 3.13Å; T414-V417 PolarHBondContact O-N 3.17Å; T414-A418 WeakPolarHBondContact O-CB 3.19Å; T414-A418 PolarHBondContact O-N 3.3Å
415D95.1Very high93.3Very high17 Ų1745.5 Ų45.59%0.09125%0.247CC..Hα-helixtrans-67.3-40.7177.4-70.7-25.5000112.1Q411 D412 L413 V417 A418 I419 K424 H430Q411-D415 PolarHBondContact NE2-OD1 2.87Å; Q411-D415 PolarHBondContact NE2-OD2 2.84Å; Q411-D415 WeakPolarHBondContact O-CB 3.27Å; Q411-D415 PolarHBondContact O-N 3.23Å; D412-D415 WeakPolarHBondContact O-CB 3.14Å; D412-D415 PolarHBondContact O-N 3.04Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 2.86Å; D415-V417 VanDerWaalsContact C-N 3.32Å; D415-V417 PolarHBondContact O-N 2.89Å; D415-A418 PolarHBondContact O-N 2.89Å; D415-I419 WeakPolarHBondContact O-CB 3.21Å; D415-I419 WeakPolarHBondContact O-CD1 3.43Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 2.94Å; D415-K424 HydrophobicContact CB-CD 4.07Å; D415-K424 WeakPolarHBondContact OD1-CD 3.31Å; D415-K424 IonicContact OD1-NZ 2.66Å; D415-K424 PolarHBondContact OD1-NZ 2.99Å; D415-K424 IonicContact OD2-NZ 2.69Å; D415-K424 PolarHBondContact OD2-NZ 3.11Å; D415-H430 VanDerWaalsContact CB-NE2 3.31Å; D415-H430 WeakPolarHBondContact CB-NE2 3.15Å; D415-H430 IonicContact OD2-NE2 3.44Å; D415-H430 PolarHBondContact OD2-NE2 3.42Å
416L93.2Very high92.9Very high1 Ų147.2 Ų47.21%0.00526%0.259CS..Hα-helixtrans-62.2-39.4174.2-66.8172.9000111.8M362 D412 L413 I419 G420 L433 F434 I437M362-L416 HydrophobicContact CE-CB 4.39Å; M362-L416 HydrophobicContact CE-CD1 3.39Å; M362-L416 HydrophobicContact CE-CD2 3.67Å; M362-L416 HydrophobicContact CE-CG 3.97Å; D412-L416 VanDerWaalsContact O-CG 3.22Å; D412-L416 WeakPolarHBondContact O-CG 3.47Å; D412-L416 PolarHBondContact O-N 3.45Å; L413-L416 HydrophobicContact CD2-CD1 4.41Å; L413-L416 PolarHBondContact O-N 3.11Å; L416-I419 PolarHBondContact O-N 3.43Å; L416-G420 PolarHBondContact O-N 2.93Å; L416-L433 HydrophobicContact CD1-CB 4.5Å; L416-L433 HydrophobicContact CD1-CD1 4.4Å; L416-L433 HydrophobicContact CD2-CB 4.35Å; L416-L433 HydrophobicContact CD2-CD1 4.43Å; L416-L433 HydrophobicContact CG-CD1 4.5Å; L416-F434 HydrophobicContact CD2-CD1 4.14Å; L416-F434 HydrophobicContact CD2-CD2 4.26Å; L416-F434 HydrophobicContact CD2-CE1 3.67Å; L416-F434 HydrophobicContact CD2-CE2 3.79Å; L416-F434 HydrophobicContact CD2-CG 4.39Å; L416-F434 HydrophobicContact CD2-CZ 3.45Å; L416-F434 VanDerWaalsContact CD2-CZ 3.45Å; L416-I437 HydrophobicContact CD1-CD1 3.65Å
417V94Very high92.7Very high19 Ų1950.4 Ų50.412%0.11528%0.279CS..Hα-helixtrans-64.4-44.8172.8171.20000111.2R363 M367 L370 L413 T414 D415 I419 G420 N421R363-V417 HydrophobicContact CG-CG1 4.25Å; R363-V417 HydrophobicContact CG-CG2 4.49Å; M367-V417 HydrophobicContact CE-CG1 3.61Å; M367-V417 HydrophobicContact CG-CG1 4.11Å; M367-V417 HydrophobicContact CG-CG2 3.69Å; L370-V417 HydrophobicContact CD1-CG2 4.21Å; L413-V417 WeakPolarHBondContact O-CG2 3.47Å; L413-V417 PolarHBondContact O-N 3.1Å; T414-V417 PolarHBondContact O-N 3.17Å; D415-V417 VanDerWaalsContact C-N 3.32Å; D415-V417 PolarHBondContact O-N 2.89Å; V417-I419 PolarHBondContact O-N 3.47Å; V417-G420 PolarHBondContact O-N 3.3Å; V417-N421 WeakPolarHBondContact O-CB 3.11Å; V417-N421 PolarHBondContact O-N 3.36Å; V417-N421 PolarHBondContact O-ND2 3.12Å
418A93.5Very high92.4Very high17 Ų1752.9 Ų52.914%0.1428%0.284CS..Hα-helixtrans-63.8-40.117800000112.1T414 D415 N421 G422 Q423 K424T414-A418 WeakPolarHBondContact O-CB 3.19Å; T414-A418 PolarHBondContact O-N 3.3Å; D415-A418 PolarHBondContact O-N 2.89Å; A418-N421 PolarHBondContact O-N 3.2Å; A418-G422 PolarHBondContact O-N 3.22Å; A418-G422 VanDerWaalsContact O-N 3.11Å; A418-Q423 HydrophobicContact CB-CB 4.36Å; A418-Q423 PolarHBondContact O-N 3Å; A418-K424 HydrophobicContact CB-CB 3.83Å; A418-K424 PolarHBondContact O-N 2.78Å
419I91Very high92.3Very high16 Ų1652.7 Ų52.78%0.08228%0.281CS..Hα-helixtrans-64.2-44.7173.2-66.1161.3000110D415 L416 V417 N421 G422 K424 P426 H430 F434D415-I419 WeakPolarHBondContact O-CB 3.21Å; D415-I419 WeakPolarHBondContact O-CD1 3.43Å; D415-I419 WeakPolarHBondContact O-CG1 3.33Å; D415-I419 PolarHBondContact O-N 2.94Å; L416-I419 PolarHBondContact O-N 3.43Å; V417-I419 PolarHBondContact O-N 3.47Å; I419-N421 PolarHBondContact O-N 3.43Å; I419-G422 PolarHBondContact O-N 3Å; I419-K424 HydrophobicContact CG1-CB 4.02Å; I419-K424 HydrophobicContact CG1-CG 4.32Å; I419-K424 WeakPolarHBondContact CG1-O 3.35Å; I419-P426 HydrophobicContact CD1-CB 4.14Å; I419-P426 HydrophobicContact CG2-CB 4.36Å; I419-H430 HydrophobicContact CD1-CB 3.78Å; I419-H430 VanDerWaalsContact CD1-CD2 3.48Å; I419-H430 WeakPolarHBondContact CD1-CD2 3.48Å; I419-F434 HydrophobicContact CB-CZ 4.2Å; I419-F434 HydrophobicContact CD1-CE2 4.1Å; I419-F434 HydrophobicContact CD1-CZ 4.3Å; I419-F434 HydrophobicContact CG2-CE2 4.01Å; I419-F434 HydrophobicContact CG2-CZ 3.73Å
420G86.2Confident92.1Very high4 Ų453 Ų534%0.04128%0.282CS..Hα-helixtrans-61.7-28.5175.500000114R355 L416 V417R355-G420 PolarHBondContact NH1-O 3.42Å; R355-G420 VanDerWaalsContact NH1-O 3.1Å; L416-G420 PolarHBondContact O-N 2.93Å; V417-G420 PolarHBondContact O-N 3.3Å
421N87.9Confident91.8Very high46 Ų4655.2 Ų55.225%0.24629%0.291CS..THydrogen-bonded Turntrans-83.3-10172.9-71.9-24.4000114R355 R363 V417 A418 I419 Q423R355-N421 PolarHBondContact NH1-O 3.32Å; R355-N421 PolarHBondContact NH2-O 2.7Å; R363-N421 VanDerWaalsContact CD-OD1 3.25Å; R363-N421 WeakPolarHBondContact CD-OD1 3.48Å; V417-N421 WeakPolarHBondContact O-CB 3.11Å; V417-N421 PolarHBondContact O-N 3.36Å; V417-N421 PolarHBondContact O-ND2 3.12Å; A418-N421 PolarHBondContact O-N 3.2Å; I419-N421 PolarHBondContact O-N 3.43Å; N421-Q423 HydrophobicContact CB-CG 4.04Å
422G85.3Confident91.5Very high61 Ų6156.6 Ų56.663%0.62930%0.297SS*.THydrogen-bonded Turntrans79.714.2-175.200000114.5A418 I419A418-G422 PolarHBondContact O-N 3.22Å; A418-G422 VanDerWaalsContact O-N 3.11Å; I419-G422 PolarHBondContact O-N 3Å
423Q89.4Confident91.3Very high152 Ų15256 Ų5671%0.7129%0.294SS*.SBendtrans-90.1-20.4-175.9-65173.5-29.600113.3A418 N421A418-Q423 HydrophobicContact CB-CB 4.36Å; A418-Q423 PolarHBondContact O-N 3Å; N421-Q423 HydrophobicContact CB-CG 4.04Å
424K89.5Confident91Very high75 Ų7556.6 Ų56.633%0.32630%0.297SS..SBendtrans-131.2138.8-178.1-172.5174.9-170.91750110.3D415 A418 I419D415-K424 HydrophobicContact CB-CD 4.07Å; D415-K424 WeakPolarHBondContact OD1-CD 3.31Å; D415-K424 IonicContact OD1-NZ 2.66Å; D415-K424 PolarHBondContact OD1-NZ 2.99Å; D415-K424 IonicContact OD2-NZ 2.69Å; D415-K424 PolarHBondContact OD2-NZ 3.11Å; A418-K424 HydrophobicContact CB-CB 3.83Å; A418-K424 PolarHBondContact O-N 2.78Å; I419-K424 HydrophobicContact CG1-CB 4.02Å; I419-K424 HydrophobicContact CG1-CG 4.32Å; I419-K424 WeakPolarHBondContact CG1-O 3.35Å
425K89.7Confident90.5Very high175 Ų17555.8 Ų55.876%0.76129%0.292SS*.  trans-79.5134.2174.4-66.9-174.6179.1-177.50110.2
426P88.3Confident90.2Very high42 Ų4256.4 Ų56.427%0.27330%0.297SS..  trans-69.7138.8179.128.1-33.8000111.6I419 H430 F434I419-P426 HydrophobicContact CD1-CB 4.14Å; I419-P426 HydrophobicContact CG2-CB 4.36Å; P426-H430 HydrophobicContact CB-CB 4.33Å; P426-F434 HydrophobicContact CB-CE2 4.47Å
427T92.1Very high90Very high69 Ų6957.1 Ų57.142%0.42330%0.301SS..  trans-100.9175.4170.274.10000110.5H429 H430 R431T427-H429 VanDerWaalsContact C-N 3.31Å; T427-H429 PolarHBondContact O-N 3.2Å; T427-H429 PolarHBondContact OG1-N 3.24Å; T427-H430 WeakPolarHBondContact CB-ND1 3.22Å; T427-H430 PolarHBondContact N-ND1 3.15Å; T427-H430 PolarHBondContact O-N 3.24Å; T427-H430 VanDerWaalsContact O-N 3.14Å; T427-H430 PolarHBondContact OG1-CE1 2.83Å; T427-H430 PolarHBondContact OG1-ND1 3.37Å; T427-R431 WeakPolarHBondContact O-CG 3.46Å; T427-R431 PolarHBondContact O-N 2.73Å
428N91.5Very high89.5Confident109 Ų10959.5 Ų59.558%0.58331%0.313SS*.Hα-helixtrans-58.7-40.4175.7-68.6-17000112.9H430 R431 E432N428-H430 PolarHBondContact O-N 3.14Å; N428-R431 WeakPolarHBondContact O-CB 3.43Å; N428-R431 PolarHBondContact O-N 3.44Å; N428-R431 VanDerWaalsContact O-N 3.12Å; N428-R431 PolarHBondContact OD1-NH1 3.3Å; N428-R431 VanDerWaalsContact OD1-NH1 3.08Å; N428-E432 PolarHBondContact O-N 2.83Å
429H93.7Very high89Confident68 Ų6865 Ų6532%0.31533%0.334SS..Hα-helixtrans-56.9-47.2172.9176.168.9000111.7D412 T427 R431 E432 L433D412-H429 IonicContact OD1-CD2 3.58Å; D412-H429 IonicContact OD1-CE1 3.89Å; D412-H429 IonicContact OD1-NE2 2.79Å; D412-H429 PolarHBondContact OD1-NE2 2.89Å; D412-H429 IonicContact OD2-CE1 3.93Å; D412-H429 IonicContact OD2-NE2 3.45Å; D412-H429 PolarHBondContact OD2-NE2 3.12Å; T427-H429 VanDerWaalsContact C-N 3.31Å; T427-H429 PolarHBondContact O-N 3.2Å; T427-H429 PolarHBondContact OG1-N 3.24Å; H429-R431 VanDerWaalsContact C-N 3.31Å; H429-R431 PolarHBondContact O-N 3.31Å; H429-E432 PolarHBondContact O-N 3.11Å; H429-L433 WeakPolarHBondContact O-CG 3.5Å; H429-L433 PolarHBondContact O-N 3.34Å
430H92.5Very high88.6Confident7 Ų765.6 Ų65.63%0.03234%0.344CS..Hα-helixtrans-62.2-38.9176.6-56.499.6000111.9D415 I419 P426 T427 N428 E432 L433 F434D415-H430 VanDerWaalsContact CB-NE2 3.31Å; D415-H430 WeakPolarHBondContact CB-NE2 3.15Å; D415-H430 IonicContact OD2-NE2 3.44Å; D415-H430 PolarHBondContact OD2-NE2 3.42Å; I419-H430 HydrophobicContact CD1-CB 3.78Å; I419-H430 VanDerWaalsContact CD1-CD2 3.48Å; I419-H430 WeakPolarHBondContact CD1-CD2 3.48Å; P426-H430 HydrophobicContact CB-CB 4.33Å; T427-H430 WeakPolarHBondContact CB-ND1 3.22Å; T427-H430 PolarHBondContact N-ND1 3.15Å; T427-H430 PolarHBondContact O-N 3.24Å; T427-H430 VanDerWaalsContact O-N 3.14Å; T427-H430 PolarHBondContact OG1-CE1 2.83Å; T427-H430 PolarHBondContact OG1-ND1 3.37Å; N428-H430 PolarHBondContact O-N 3.14Å; H430-E432 VanDerWaalsContact C-N 3.34Å; H430-E432 PolarHBondContact O-N 3.35Å; H430-L433 WeakPolarHBondContact O-CB 3.04Å; H430-L433 PolarHBondContact O-N 3.07Å; H430-F434 HydrophobicContact CB-CD2 4.34Å; H430-F434 HydrophobicContact CB-CE2 4.12Å; H430-F434 WeakPolarHBondContact O-CD2 3.47Å; H430-F434 WeakPolarHBondContact O-CG 3.23Å; H430-F434 PolarHBondContact O-N 3.3Å
431R90Very high88.7Confident103 Ų10369.2 Ų69.239%0.38936%0.362SS..Hα-helixtrans-60.5-42.9176-68.5171.5178.1165.2-8.9111.5T427 N428 H429 F434 T435T427-R431 WeakPolarHBondContact O-CG 3.46Å; T427-R431 PolarHBondContact O-N 2.73Å; N428-R431 WeakPolarHBondContact O-CB 3.43Å; N428-R431 PolarHBondContact O-N 3.44Å; N428-R431 VanDerWaalsContact O-N 3.12Å; N428-R431 PolarHBondContact OD1-NH1 3.3Å; N428-R431 VanDerWaalsContact OD1-NH1 3.08Å; H429-R431 VanDerWaalsContact C-N 3.31Å; H429-R431 PolarHBondContact O-N 3.31Å; R431-F434 WeakPolarHBondContact O-CB 3.22Å; R431-F434 PolarHBondContact O-N 3.1Å; R431-T435 PolarHBondContact O-N 2.9Å; R431-T435 PolarHBondContact O-OG1 3Å
432E90.5Very high88.8Confident128 Ų12867.3 Ų67.360%0.59835%0.352SS*.Hα-helixtrans-65.2-38.3174.9-69.1172.2-16400112.7N428 H429 H430 T435 S436N428-E432 PolarHBondContact O-N 2.83Å; H429-E432 PolarHBondContact O-N 3.11Å; H430-E432 VanDerWaalsContact C-N 3.34Å; H430-E432 PolarHBondContact O-N 3.35Å; E432-T435 PolarHBondContact O-N 3.04Å; E432-S436 WeakPolarHBondContact O-CB 3.27Å; E432-S436 PolarHBondContact O-N 3.1Å; E432-S436 PolarHBondContact O-OG 3.23Å
433L92.4Very high89.3Confident2 Ų264.5 Ų64.51%0.0132%0.323CS..Hα-helixtrans-60.8-48.9171.6-67.5177.3000110.9D412 L416 H429 H430 T435 S436 I437 P443 W446D412-L433 HydrophobicContact CB-CD1 3.75Å; L416-L433 HydrophobicContact CD1-CB 4.5Å; L416-L433 HydrophobicContact CD1-CD1 4.4Å; L416-L433 HydrophobicContact CD2-CB 4.35Å; L416-L433 HydrophobicContact CD2-CD1 4.43Å; L416-L433 HydrophobicContact CG-CD1 4.5Å; H429-L433 WeakPolarHBondContact O-CG 3.5Å; H429-L433 PolarHBondContact O-N 3.34Å; H430-L433 WeakPolarHBondContact O-CB 3.04Å; H430-L433 PolarHBondContact O-N 3.07Å; L433-T435 PolarHBondContact O-N 3.25Å; L433-S436 PolarHBondContact O-N 2.81Å; L433-I437 HydrophobicContact CB-CD1 4.42Å; L433-I437 VanDerWaalsContact O-CB 3.3Å; L433-I437 WeakPolarHBondContact O-CB 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.28Å; L433-I437 PolarHBondContact O-N 3.28Å; L433-P443 HydrophobicContact CD2-CB 3.56Å; L433-P443 HydrophobicContact CD2-CG 3.71Å; L433-W446 HydrophobicContact CD2-CZ2 4.39Å
434F89.2Confident89.4Confident12 Ų1263.8 Ų63.85%0.05332%0.319CS..Hα-helixtrans-55.2-50.3176.4-76.9-61.6000111.4W358 L359 M362 L416 I419 P426 H430 R431 S436 N438W358-F434 HydrophobicContact CH2-CD1 4.14Å; W358-F434 HydrophobicContact CH2-CE1 4.38Å; W358-F434 AromaticContact CZ3-CD1 3.55Å; W358-F434 HydrophobicContact CZ3-CD1 3.55Å; W358-F434 AromaticContact CZ3-CE1 3.85Å; W358-F434 HydrophobicContact CZ3-CE1 3.85Å; W358-F434 HydrophobicContact CZ3-CG 4.26Å; L359-F434 HydrophobicContact CD1-CE1 3.9Å; L359-F434 HydrophobicContact CD1-CZ 4.1Å; M362-F434 HydrophobicContact CE-CD1 3.3Å; M362-F434 HydrophobicContact CE-CE1 3.55Å; M362-F434 HydrophobicContact CE-CG 4.17Å; M362-F434 HydrophobicContact CG-CD1 4.38Å; M362-F434 HydrophobicContact CG-CE1 4.16Å; M362-F434 HydrophobicContact SD-CD1 3.22Å; M362-F434 WeakPolarHBondContact SD-CD1 3.32Å; M362-F434 HydrophobicContact SD-CE1 3.57Å; M362-F434 VanDerWaalsContact SD-CE1 3.57Å; M362-F434 HydrophobicContact SD-CG 4.36Å; L416-F434 HydrophobicContact CD2-CD1 4.14Å; L416-F434 HydrophobicContact CD2-CD2 4.26Å; L416-F434 HydrophobicContact CD2-CE1 3.67Å; L416-F434 HydrophobicContact CD2-CE2 3.79Å; L416-F434 HydrophobicContact CD2-CG 4.39Å; L416-F434 HydrophobicContact CD2-CZ 3.45Å; L416-F434 VanDerWaalsContact CD2-CZ 3.45Å; I419-F434 HydrophobicContact CB-CZ 4.2Å; I419-F434 HydrophobicContact CD1-CE2 4.1Å; I419-F434 HydrophobicContact CD1-CZ 4.3Å; I419-F434 HydrophobicContact CG2-CE2 4.01Å; I419-F434 HydrophobicContact CG2-CZ 3.73Å; P426-F434 HydrophobicContact CB-CE2 4.47Å; H430-F434 HydrophobicContact CB-CD2 4.34Å; H430-F434 HydrophobicContact CB-CE2 4.12Å; H430-F434 WeakPolarHBondContact O-CD2 3.47Å; H430-F434 WeakPolarHBondContact O-CG 3.23Å; H430-F434 PolarHBondContact O-N 3.3Å; R431-F434 WeakPolarHBondContact O-CB 3.22Å; R431-F434 PolarHBondContact O-N 3.1Å; F434-S436 PolarHBondContact O-N 3.04Å; F434-N438 WeakPolarHBondContact O-CB 3.46Å; F434-N438 PolarHBondContact O-N 2.78Å
435T86.6Confident89.6Confident49 Ų4962 Ų6230%0.30132%0.316SS..Hα-helixtrans-60.4-44.1178.6-51.40000111.9Y343 R431 E432 L433 K439Y343-T435 PolarHBondContact OH-OG1 2.96Å; R431-T435 PolarHBondContact O-N 2.9Å; R431-T435 PolarHBondContact O-OG1 3Å; E432-T435 PolarHBondContact O-N 3.04Å; L433-T435 PolarHBondContact O-N 3.25Å; T435-K439 HydrophobicContact CG2-CD 4.25Å; T435-K439 WeakPolarHBondContact O-CB 3.42Å; T435-K439 VanDerWaalsContact O-CG 3.25Å; T435-K439 WeakPolarHBondContact O-CG 3.45Å; T435-K439 PolarHBondContact O-N 2.85Å
436S87.4Confident89.8Confident30 Ų3053.7 Ų53.721%0.2128%0.28CS..Hα-helixtrans-68.6-49.3-177.9-54.90000111.5E432 L433 F434 K439 G440 L441E432-S436 WeakPolarHBondContact O-CB 3.27Å; E432-S436 PolarHBondContact O-N 3.1Å; E432-S436 PolarHBondContact O-OG 3.23Å; L433-S436 PolarHBondContact O-N 2.81Å; F434-S436 PolarHBondContact O-N 3.04Å; S436-K439 CarbonylContact O-C 3.6Å; S436-K439 PolarHBondContact O-N 3.44Å; S436-G440 PolarHBondContact O-N 3.08Å; S436-L441 CarbonylContact C-O 3.59Å; S436-L441 PolarHBondContact O-N 3.1Å; S436-L441 VanDerWaalsContact O-O 3.1Å
437I89.8Confident90.1Very high16 Ų1655.6 Ų55.68%0.08228%0.284CS..Hα-helixtrans-65.8-41.7-177.6-70.2168.7000111.3M362 W369 L416 L433 K439 G440 P443 W446 V457M362-I437 HydrophobicContact CE-CB 3.91Å; M362-I437 HydrophobicContact CE-CD1 3.61Å; M362-I437 HydrophobicContact CE-CG1 4.34Å; M362-I437 HydrophobicContact CE-CG2 3.89Å; M362-I437 HydrophobicContact SD-CB 4.33Å; M362-I437 HydrophobicContact SD-CG2 3.96Å; W369-I437 HydrophobicContact CH2-CG2 3.77Å; W369-I437 HydrophobicContact CZ3-CD1 4.45Å; W369-I437 HydrophobicContact CZ3-CG2 3.87Å; L416-I437 HydrophobicContact CD1-CD1 3.65Å; L433-I437 HydrophobicContact CB-CD1 4.42Å; L433-I437 VanDerWaalsContact O-CB 3.3Å; L433-I437 WeakPolarHBondContact O-CB 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.28Å; L433-I437 PolarHBondContact O-N 3.28Å; I437-K439 VanDerWaalsContact C-N 3.26Å; I437-K439 PolarHBondContact O-N 2.6Å; I437-G440 WeakPolarHBondContact O-CA 3.3Å; I437-G440 PolarHBondContact O-N 3.03Å; I437-P443 HydrophobicContact CD1-CG 4.35Å; I437-P443 HydrophobicContact CG1-CG 4.01Å; I437-W446 HydrophobicContact CD1-CH2 4.06Å; I437-V457 HydrophobicContact CG1-CG2 4.3Å
438N83.5Confident90.1Very high69 Ų6960.7 Ų60.737%0.36930%0.295SS..Hα-helixtrans-64.1-33.4177.5-163.953.4000112F434 G440F434-N438 WeakPolarHBondContact O-CB 3.46Å; F434-N438 PolarHBondContact O-N 2.78Å; N438-G440 PolarHBondContact O-N 3.35Å
439K81.7Confident90.1Very high132 Ų13256.1 Ų56.157%0.57427%0.27SS*.THydrogen-bonded Turntrans-75.60.7171.5-68.4176-176.7-175.70113.3T435 S436 I437 L441T435-K439 HydrophobicContact CG2-CD 4.25Å; T435-K439 WeakPolarHBondContact O-CB 3.42Å; T435-K439 VanDerWaalsContact O-CG 3.25Å; T435-K439 WeakPolarHBondContact O-CG 3.45Å; T435-K439 PolarHBondContact O-N 2.85Å; S436-K439 CarbonylContact O-C 3.6Å; S436-K439 PolarHBondContact O-N 3.44Å; I437-K439 VanDerWaalsContact C-N 3.26Å; I437-K439 PolarHBondContact O-N 2.6Å; K439-L441 HydrophobicContact CB-CD1 3.96Å; K439-L441 HydrophobicContact CB-CG 3.9Å; K439-L441 HydrophobicContact CD-CD1 4.42Å; K439-L441 PolarHBondContact O-N 2.75Å
440G83.7Confident90Very high29 Ų2961.1 Ų61.130%0.29929%0.286SS..THydrogen-bonded Turntrans68.714.5-17500000114.1S436 I437 N438 T456 V457S436-G440 PolarHBondContact O-N 3.08Å; I437-G440 WeakPolarHBondContact O-CA 3.3Å; I437-G440 PolarHBondContact O-N 3.03Å; N438-G440 PolarHBondContact O-N 3.35Å; G440-T456 VanDerWaalsContact O-CA 3.27Å; G440-T456 WeakPolarHBondContact O-CA 3.41Å; G440-V457 PolarHBondContact O-N 3.17Å; G440-V457 VanDerWaalsContact O-N 3.16Å
441L87.3Confident89.9Confident80 Ų8062.6 Ų62.642%0.41929%0.294SS..BIsolated β-bridgetrans-96.2139.3-175.6-58.4177.6000111.4S436 K439 P443 V457S436-L441 CarbonylContact C-O 3.59Å; S436-L441 PolarHBondContact O-N 3.1Å; S436-L441 VanDerWaalsContact O-O 3.1Å; K439-L441 HydrophobicContact CB-CD1 3.96Å; K439-L441 HydrophobicContact CB-CG 3.9Å; K439-L441 HydrophobicContact CD-CD1 4.42Å; K439-L441 PolarHBondContact O-N 2.75Å; L441-P443 WeakPolarHBondContact O-CD 3.41Å; L441-V457 WeakPolarHBondContact O-CG2 3.46Å
442V91.8Very high89.9Confident6 Ų658 Ų584%0.03628%0.278CS..PPolyproline II helixtrans-60.8124.1172.4-173.60000109.6W446 K447 I451 T455 W460V442-W446 HydrophobicContact CG1-CB 4.13Å; V442-K447 HydrophobicContact CB-CG 4.46Å; V442-K447 HydrophobicContact CG1-CG 3.98Å; V442-K447 WeakPolarHBondContact O-CE 3.43Å; V442-K447 PolarHBondContact O-NZ 2.86Å; V442-I451 HydrophobicContact CB-CD1 3.94Å; V442-I451 HydrophobicContact CG1-CD1 4.16Å; V442-I451 HydrophobicContact CG2-CD1 3.83Å; V442-T455 HydrophobicContact CG2-CG2 4.47Å; V442-W460 HydrophobicContact CG1-CB 4.49Å; V442-W460 HydrophobicContact CG1-CD2 3.95Å; V442-W460 HydrophobicContact CG1-CG 3.9Å; V442-W460 HydrophobicContact CG2-CB 3.57Å; V442-W460 HydrophobicContact CG2-CG 3.81Å
443P93.7Very high89.4Confident2 Ų257.4 Ų57.41%0.01329%0.288CS..PPolyproline II helixtrans-57.2145.9174.7-2634.7000113.2L433 I437 L441 S445 W446L433-P443 HydrophobicContact CD2-CB 3.56Å; L433-P443 HydrophobicContact CD2-CG 3.71Å; I437-P443 HydrophobicContact CD1-CG 4.35Å; I437-P443 HydrophobicContact CG1-CG 4.01Å; L441-P443 WeakPolarHBondContact O-CD 3.41Å; P443-S445 VanDerWaalsContact C-N 3.31Å; P443-S445 PolarHBondContact O-N 3.38Å; P443-W446 HydrophobicContact CB-CD2 4.15Å; P443-W446 HydrophobicContact CB-CG 4.16Å; P443-W446 HydrophobicContact CG-CD2 3.87Å; P443-W446 HydrophobicContact CG-CE3 3.96Å; P443-W446 HydrophobicContact CG-CG 4.4Å; P443-W446 HydrophobicContact CG-CH2 4.32Å; P443-W446 HydrophobicContact CG-CZ2 4.26Å; P443-W446 HydrophobicContact CG-CZ3 4.18Å; P443-W446 WeakPolarHBondContact O-CB 3.47Å; P443-W446 PolarHBondContact O-N 3.47Å; P443-W446 VanDerWaalsContact O-N 3.1Å
444E91.9Very high88.8Confident136 Ų13659.7 Ų59.764%0.63631%0.311SS*.G310 helixtrans-63.7-36-176.8-165.958.8-152.400112.8W446 K447E444-W446 PolarHBondContact O-N 3.35Å; E444-W446 VanDerWaalsContact O-N 3.12Å; E444-K447 PolarHBondContact O-N 3.45Å; E444-K447 VanDerWaalsContact O-N 3.15Å; E444-K447 WeakPolarHBondContact OE2-CD 3.39Å; E444-K447 IonicContact OE2-NZ 3.98Å; E444-K447 PolarHBondContact OE2-NZ 3.14Å
445S93.3Very high88.7Confident38 Ų3859.4 Ų59.427%0.26631%0.31SS..G310 helixtrans-57.9-26.6175.755.40000113.4P443 R448P443-S445 VanDerWaalsContact C-N 3.31Å; P443-S445 PolarHBondContact O-N 3.38Å; S445-R448 PolarHBondContact O-NE 3.22Å
446W95.9Very high88.9Confident1 Ų159.4 Ų59.40%0.00431%0.311CS..G310 helixtrans-89.7-19.5-177.4-60.41.6000113V409 D412 L413 L433 I437 V442 P443 E444 R448 V457 W460 I461V409-W446 HydrophobicContact CG1-CD2 4.47Å; V409-W446 HydrophobicContact CG1-CH2 4.38Å; V409-W446 HydrophobicContact CG1-CZ2 4.22Å; V409-W446 HydrophobicContact CG2-CD2 4.04Å; V409-W446 HydrophobicContact CG2-CG 3.93Å; D412-W446 HydrophobicContact CB-CZ2 4.08Å; D412-W446 PolarHBondContact OD2-NE1 2.9Å; L413-W446 HydrophobicContact CD2-CH2 3.87Å; L413-W446 HydrophobicContact CD2-CZ2 4.36Å; L413-W446 HydrophobicContact CG-CH2 4.3Å; L413-W446 HydrophobicContact CG-CZ2 4.47Å; L433-W446 HydrophobicContact CD2-CZ2 4.39Å; I437-W446 HydrophobicContact CD1-CH2 4.06Å; V442-W446 HydrophobicContact CG1-CB 4.13Å; P443-W446 HydrophobicContact CB-CD2 4.15Å; P443-W446 HydrophobicContact CB-CG 4.16Å; P443-W446 HydrophobicContact CG-CD2 3.87Å; P443-W446 HydrophobicContact CG-CE3 3.96Å; P443-W446 HydrophobicContact CG-CG 4.4Å; P443-W446 HydrophobicContact CG-CH2 4.32Å; P443-W446 HydrophobicContact CG-CZ2 4.26Å; P443-W446 HydrophobicContact CG-CZ3 4.18Å; P443-W446 WeakPolarHBondContact O-CB 3.47Å; P443-W446 PolarHBondContact O-N 3.47Å; P443-W446 VanDerWaalsContact O-N 3.1Å; E444-W446 PolarHBondContact O-N 3.35Å; E444-W446 VanDerWaalsContact O-N 3.12Å; W446-R448 PolarHBondContact O-N 3.42Å; W446-V457 HydrophobicContact CZ3-CG1 3.91Å; W446-W460 HydrophobicContact CB-CH2 3.82Å; W446-W460 HydrophobicContact CB-CZ2 3.95Å; W446-W460 HydrophobicContact CB-CZ3 4.29Å; W446-W460 HydrophobicContact CD2-CH2 4.36Å; W446-W460 HydrophobicContact CD2-CZ3 4.07Å; W446-W460 AromaticContact CE3-CE3 3.74Å; W446-W460 HydrophobicContact CE3-CE3 3.74Å; W446-W460 HydrophobicContact CE3-CH2 4.13Å; W446-W460 AromaticContact CE3-CZ3 3.43Å; W446-W460 HydrophobicContact CE3-CZ3 3.43Å; W446-W460 VanDerWaalsContact CE3-CZ3 3.43Å; W446-W460 HydrophobicContact CG-CH2 4.26Å; W446-W460 HydrophobicContact CG-CZ3 4.44Å; W446-W460 HydrophobicContact CZ3-CE3 4.3Å; W446-W460 HydrophobicContact CZ3-CZ3 4.11Å; W446-W460 WeakPolarHBondContact O-CZ2 3.31Å; W446-I461 HydrophobicContact CZ3-CD1 4.17Å; W446-I461 HydrophobicContact CZ3-CG1 4.44Å
447K93Very high89Confident81 Ų8158.1 Ų58.135%0.35230%0.302SS..  trans-77.257-178.3-62.5-177.6-159.3151.70113.1V442 E444 Y449 I451V442-K447 HydrophobicContact CB-CG 4.46Å; V442-K447 HydrophobicContact CG1-CG 3.98Å; V442-K447 WeakPolarHBondContact O-CE 3.43Å; V442-K447 PolarHBondContact O-NZ 2.86Å; E444-K447 PolarHBondContact O-N 3.45Å; E444-K447 VanDerWaalsContact O-N 3.15Å; E444-K447 WeakPolarHBondContact OE2-CD 3.39Å; E444-K447 IonicContact OE2-NZ 3.98Å; E444-K447 PolarHBondContact OE2-NZ 3.14Å; K447-Y449 VanDerWaalsContact C-N 3.27Å; K447-Y449 PolarHBondContact O-N 2.88Å; K447-I451 HydrophobicContact CD-CD1 4.21Å; K447-I451 HydrophobicContact CG-CD1 4Å
448R92.9Very high89.1Confident176 Ų17660.8 Ų60.866%0.66432%0.321SS*.SBendtrans-79.2-9.3177-60.1-62.8-178.3163.72113.9L405 S445 W446L405-R448 HydrophobicContact CD1-CG 3.82Å; L405-R448 HydrophobicContact CD2-CB 4.09Å; L405-R448 HydrophobicContact CD2-CG 4.26Å; L405-R448 HydrophobicContact CG-CG 4.5Å; S445-R448 PolarHBondContact O-NE 3.22Å; W446-R448 PolarHBondContact O-N 3.42Å
449Y92Very high89.5Confident14 Ų1461 Ų616%0.05532%0.32CS..SBendtrans-134.7162173.558.6-85.3000109.3L405 K447 I451 W460 F464 L496L405-Y449 HydrophobicContact CD2-CD1 4.18Å; L405-Y449 HydrophobicContact CD2-CE1 3.95Å; K447-Y449 VanDerWaalsContact C-N 3.27Å; K447-Y449 PolarHBondContact O-N 2.88Å; Y449-I451 HydrophobicContact CD2-CG2 3.91Å; Y449-I451 HydrophobicContact CE2-CG2 3.67Å; Y449-W460 AromaticContact CE1-CZ2 3.95Å; Y449-W460 HydrophobicContact CE1-CZ2 3.95Å; Y449-W460 AromaticContact CE1-NE1 3.87Å; Y449-W460 AromaticContact CE2-NE1 3.98Å; Y449-W460 AromaticContact CZ-CE2 3.97Å; Y449-W460 AromaticContact CZ-NE1 3.37Å; Y449-W460 PolarHBondContact OH-NE1 3Å; Y449-F464 HydrophobicContact CE1-CD2 4Å; Y449-F464 HydrophobicContact CE1-CE2 4.46Å; Y449-L496 HydrophobicContact CD1-CD2 3.44Å; Y449-L496 VanDerWaalsContact CD1-CD2 3.44Å; Y449-L496 HydrophobicContact CE1-CD2 3.92Å; Y449-L496 HydrophobicContact CG-CD2 3.86Å
450R90.1Very high90.1Very high173 Ų17354.7 Ų54.765%0.65329%0.293SS*.  trans-67.9138.2-179.1-68-64.7-171.8-163.41.1110.1L595 Y596R450-L595 HydrophobicContact CB-CD2 4.47Å; R450-Y596 VanDerWaalsContact O-CE2 3.29Å; R450-Y596 WeakPolarHBondContact O-CE2 3.4Å; R450-Y596 PolarHBondContact O-OH 2.73Å
451I91.4Very high90.7Very high37 Ų3753.4 Ų53.419%0.1928%0.279CS..  trans-135.6150.4175.359.9171.8000109.1V442 K447 Y449 L632V442-I451 HydrophobicContact CB-CD1 3.94Å; V442-I451 HydrophobicContact CG1-CD1 4.16Å; V442-I451 HydrophobicContact CG2-CD1 3.83Å; K447-I451 HydrophobicContact CD-CD1 4.21Å; K447-I451 HydrophobicContact CG-CD1 4Å; Y449-I451 HydrophobicContact CD2-CG2 3.91Å; Y449-I451 HydrophobicContact CE2-CG2 3.67Å; I451-L632 HydrophobicContact CG2-CD2 4.34Å
452P88.8Confident91Very high8 Ų851.2 Ų51.25%0.05228%0.276CS..  trans-58.4149176.4-26.436.5000112.8G454 T455 Y596P452-G454 PolarHBondContact O-N 2.95Å; P452-T455 WeakPolarHBondContact CD-OG1 3.38Å; P452-T455 PolarHBondContact O-N 3.4Å; P452-T455 PolarHBondContact O-OG1 3.44Å; P452-T455 VanDerWaalsContact O-OG1 3.09Å; P452-Y596 HydrophobicContact CG-CD1 3.73Å; P452-Y596 HydrophobicContact CG-CD2 3.71Å; P452-Y596 HydrophobicContact CG-CE1 4.25Å; P452-Y596 HydrophobicContact CG-CE2 4.23Å; P452-Y596 HydrophobicContact CG-CG 3.45Å; P452-Y596 VanDerWaalsContact CG-CG 3.45Å
453S81.7Confident91.2Very high115 Ų11551.6 Ų51.680%0.80428%0.278SS*.THydrogen-bonded Turntrans-65119.5174.258.90000110.3
454G79.6Confident91.3Very high49 Ų4951.5 Ų51.551%0.50528%0.277SS..THydrogen-bonded Turntrans967.8178.200000115.4P452 T456P452-G454 PolarHBondContact O-N 2.95Å; G454-T456 PolarHBondContact O-N 2.96Å
455T87.7Confident91.5Very high6 Ų645.4 Ų45.44%0.03725%0.25CC..  trans-56.3129.8165.1-590000110.3V442 P452 Q459 W460 L632V442-T455 HydrophobicContact CG2-CG2 4.47Å; P452-T455 WeakPolarHBondContact CD-OG1 3.38Å; P452-T455 PolarHBondContact O-N 3.4Å; P452-T455 PolarHBondContact O-OG1 3.44Å; P452-T455 VanDerWaalsContact O-OG1 3.09Å; T455-Q459 HydrophobicContact CG2-CB 3.99Å; T455-W460 HydrophobicContact CG2-CB 4Å; T455-L632 HydrophobicContact CG2-CD1 3.75Å; T455-L632 HydrophobicContact CG2-CD2 4.06Å; T455-L632 HydrophobicContact CG2-CG 4.02Å
456T89Confident91.6Very high50 Ų5048.4 Ų48.431%0.30726%0.26SS..BIsolated β-bridgetrans-82.1158.4176.670.40000111.6G440 G454 S458 Q459 W460G440-T456 VanDerWaalsContact O-CA 3.27Å; G440-T456 WeakPolarHBondContact O-CA 3.41Å; G454-T456 PolarHBondContact O-N 2.96Å; T456-S458 VanDerWaalsContact C-N 3.28Å; T456-S458 PolarHBondContact O-N 2.89Å; T456-Q459 PolarHBondContact O-N 3.11Å; T456-Q459 VanDerWaalsContact OG1-CG 3.3Å; T456-Q459 WeakPolarHBondContact OG1-CG 3.49Å; T456-Q459 PolarHBondContact OG1-N 3.42Å; T456-Q459 PolarHBondContact OG1-OE1 2.97Å; T456-W460 WeakPolarHBondContact O-CB 3.4Å; T456-W460 PolarHBondContact O-N 3.18Å
457V91.2Very high91.6Very high3 Ų348.4 Ų48.42%0.01826%0.26CS..Hα-helixtrans-52.5-46.9174.9-178.40000111.5W369 I437 G440 L441 W446 Q459 W460 I461W369-V457 HydrophobicContact CE3-CG1 4.44Å; W369-V457 HydrophobicContact CH2-CB 4.19Å; W369-V457 HydrophobicContact CH2-CG1 3.58Å; W369-V457 HydrophobicContact CZ2-CB 4.34Å; W369-V457 HydrophobicContact CZ2-CG1 3.87Å; W369-V457 HydrophobicContact CZ3-CG1 3.89Å; I437-V457 HydrophobicContact CG1-CG2 4.3Å; G440-V457 PolarHBondContact O-N 3.17Å; G440-V457 VanDerWaalsContact O-N 3.16Å; L441-V457 WeakPolarHBondContact O-CG2 3.46Å; W446-V457 HydrophobicContact CZ3-CG1 3.91Å; V457-Q459 PolarHBondContact O-N 2.92Å; V457-W460 PolarHBondContact O-N 3.25Å; V457-I461 HydrophobicContact CG1-CD1 3.64Å; V457-I461 HydrophobicContact CG1-CG1 4.24Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.4Å; V457-I461 PolarHBondContact O-N 3.42Å
458S90.8Very high91.7Very high71 Ų7144.5 Ų44.550%0.49724%0.243SC..Hα-helixtrans-63.1-41.1-179.6-52.80000112.8T456 I461 G462T456-S458 VanDerWaalsContact C-N 3.28Å; T456-S458 PolarHBondContact O-N 2.89Å; S458-I461 PolarHBondContact O-N 3.5Å; S458-G462 PolarHBondContact O-N 2.86Å; S458-G462 VanDerWaalsContact O-N 3.12Å
459Q91.8Very high91.8Very high73 Ų7342 Ų4234%0.34124%0.236SC..Hα-helixtrans-63.8-43.2175.2-73.9174.6-31.800111.3T455 T456 V457 G462 D463 L632T455-Q459 HydrophobicContact CG2-CB 3.99Å; T456-Q459 PolarHBondContact O-N 3.11Å; T456-Q459 VanDerWaalsContact OG1-CG 3.3Å; T456-Q459 WeakPolarHBondContact OG1-CG 3.49Å; T456-Q459 PolarHBondContact OG1-N 3.42Å; T456-Q459 PolarHBondContact OG1-OE1 2.97Å; V457-Q459 PolarHBondContact O-N 2.92Å; Q459-G462 PolarHBondContact O-N 3.3Å; Q459-D463 PolarHBondContact O-N 3.1Å; Q459-L632 HydrophobicContact CB-CD1 3.93Å
460W95.3Very high91.8Very high0 Ų042.4 Ų42.40%024%0.239CC..Hα-helixtrans-63.7-42.7178.5-177.383.4000112.2L405 V409 V442 W446 Y449 T455 T456 V457 D463 F464L405-W460 HydrophobicContact CD2-CZ2 4.37Å; V409-W460 HydrophobicContact CG1-CZ3 4.31Å; V409-W460 HydrophobicContact CG2-CH2 3.77Å; V409-W460 HydrophobicContact CG2-CZ3 4.18Å; V442-W460 HydrophobicContact CG1-CB 4.49Å; V442-W460 HydrophobicContact CG1-CD2 3.95Å; V442-W460 HydrophobicContact CG1-CG 3.9Å; V442-W460 HydrophobicContact CG2-CB 3.57Å; V442-W460 HydrophobicContact CG2-CG 3.81Å; W446-W460 HydrophobicContact CB-CH2 3.82Å; W446-W460 HydrophobicContact CB-CZ2 3.95Å; W446-W460 HydrophobicContact CB-CZ3 4.29Å; W446-W460 HydrophobicContact CD2-CH2 4.36Å; W446-W460 HydrophobicContact CD2-CZ3 4.07Å; W446-W460 AromaticContact CE3-CE3 3.74Å; W446-W460 HydrophobicContact CE3-CE3 3.74Å; W446-W460 HydrophobicContact CE3-CH2 4.13Å; W446-W460 AromaticContact CE3-CZ3 3.43Å; W446-W460 HydrophobicContact CE3-CZ3 3.43Å; W446-W460 VanDerWaalsContact CE3-CZ3 3.43Å; W446-W460 HydrophobicContact CG-CH2 4.26Å; W446-W460 HydrophobicContact CG-CZ3 4.44Å; W446-W460 HydrophobicContact CZ3-CE3 4.3Å; W446-W460 HydrophobicContact CZ3-CZ3 4.11Å; W446-W460 WeakPolarHBondContact O-CZ2 3.31Å; Y449-W460 AromaticContact CE1-CZ2 3.95Å; Y449-W460 HydrophobicContact CE1-CZ2 3.95Å; Y449-W460 AromaticContact CE1-NE1 3.87Å; Y449-W460 AromaticContact CE2-NE1 3.98Å; Y449-W460 AromaticContact CZ-CE2 3.97Å; Y449-W460 AromaticContact CZ-NE1 3.37Å; Y449-W460 PolarHBondContact OH-NE1 3Å; T455-W460 HydrophobicContact CG2-CB 4Å; T456-W460 WeakPolarHBondContact O-CB 3.4Å; T456-W460 PolarHBondContact O-N 3.18Å; V457-W460 PolarHBondContact O-N 3.25Å; W460-D463 PolarHBondContact O-N 3.29Å; W460-F464 HydrophobicContact CD2-CB 4.46Å; W460-F464 HydrophobicContact CE3-CB 4.41Å; W460-F464 HydrophobicContact CH2-CB 4.19Å; W460-F464 AromaticContact CH2-CD1 3.79Å; W460-F464 HydrophobicContact CH2-CD1 3.79Å; W460-F464 HydrophobicContact CH2-CD2 4.44Å; W460-F464 HydrophobicContact CH2-CE1 4.31Å; W460-F464 AromaticContact CH2-CG 3.88Å; W460-F464 HydrophobicContact CH2-CG 3.88Å; W460-F464 HydrophobicContact CZ2-CB 4.27Å; W460-F464 HydrophobicContact CZ2-CD1 4.45Å; W460-F464 HydrophobicContact CZ2-CD2 4.34Å; W460-F464 HydrophobicContact CZ2-CG 4.1Å; W460-F464 HydrophobicContact CZ3-CB 4.28Å; W460-F464 HydrophobicContact CZ3-CD1 4.1Å; W460-F464 HydrophobicContact CZ3-CG 4.32Å; W460-F464 WeakPolarHBondContact O-CB 3.45Å; W460-F464 PolarHBondContact O-N 3.41Å
461I95.5Very high92Very high2 Ų234.1 Ų34.11%0.0121%0.208CC..Hα-helixtrans-64.6-42.9178.6-70.2174.6000111W369 L373 W446 V457 S458 F464 A465W369-I461 HydrophobicContact CB-CD1 3.72Å; W369-I461 HydrophobicContact CB-CG2 4.1Å; W369-I461 HydrophobicContact CD2-CD1 3.2Å; W369-I461 HydrophobicContact CE3-CD1 3.58Å; W369-I461 HydrophobicContact CG-CD1 3.26Å; W369-I461 HydrophobicContact CG-CG1 4.47Å; W369-I461 HydrophobicContact CG-CG2 4.13Å; W369-I461 HydrophobicContact CZ2-CD1 4.35Å; W369-I461 HydrophobicContact CZ3-CD1 4.29Å; L373-I461 HydrophobicContact CD1-CG2 4.38Å; L373-I461 HydrophobicContact CD2-CG2 4.21Å; L373-I461 HydrophobicContact CG-CG2 4.07Å; W446-I461 HydrophobicContact CZ3-CD1 4.17Å; W446-I461 HydrophobicContact CZ3-CG1 4.44Å; V457-I461 HydrophobicContact CG1-CD1 3.64Å; V457-I461 HydrophobicContact CG1-CG1 4.24Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.4Å; V457-I461 PolarHBondContact O-N 3.42Å; S458-I461 PolarHBondContact O-N 3.5Å; I461-F464 PolarHBondContact O-N 2.89Å; I461-A465 WeakPolarHBondContact O-CB 3.46Å; I461-A465 PolarHBondContact O-N 3.29Å
462G94.4Very high92.1Very high34 Ų3434.8 Ų34.835%0.35121%0.21SC..Hα-helixtrans-60.5-47.7175.100000112.5S458 Q459 A465 E466S458-G462 PolarHBondContact O-N 2.86Å; S458-G462 VanDerWaalsContact O-N 3.12Å; Q459-G462 PolarHBondContact O-N 3.3Å; G462-A465 PolarHBondContact O-N 3.24Å; G462-E466 PolarHBondContact O-N 2.96Å
463D94.9Very high92.2Very high14 Ų1438.4 Ų38.48%0.07523%0.232CC..Hα-helixtrans-63.1-46.3175.6173.678.6000111.9Q459 W460 A465 E466 R467 W491 N630 L632Q459-D463 PolarHBondContact O-N 3.1Å; W460-D463 PolarHBondContact O-N 3.29Å; D463-A465 VanDerWaalsContact C-N 3.31Å; D463-A465 PolarHBondContact O-N 3.4Å; D463-E466 PolarHBondContact O-N 3.27Å; D463-R467 WeakPolarHBondContact O-CG 3.49Å; D463-R467 PolarHBondContact O-N 3.43Å; D463-R467 IonicContact OD1-NE 2.75Å; D463-R467 IonicContact OD1-NH2 3.84Å; D463-R467 IonicContact OD2-CZ 2.73Å; D463-R467 VanDerWaalsContact OD2-CZ 3.31Å; D463-R467 IonicContact OD2-NE 2.73Å; D463-R467 PolarHBondContact OD2-NE 3.1Å; D463-R467 IonicContact OD2-NH2 3.05Å; D463-R467 PolarHBondContact OD2-NH2 3.44Å; D463-W491 WeakPolarHBondContact OD1-CH2 3.44Å; D463-N630 PolarHBondContact OD1-ND2 2.99Å; D463-N630 PolarHBondContact OD1-OD1 2.9Å; D463-L632 HydrophobicContact CB-CD1 3.8Å; D463-L632 HydrophobicContact CB-CD2 4.21Å; D463-L632 HydrophobicContact CB-CG 4.41Å
464F96.4Very high92.6Very high0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-61.9-37.4179.1-175-121.3000112.3L373 L405 L406 V409 Y449 W460 I461 E466 R467 V468L373-F464 HydrophobicContact CD2-CD1 3.68Å; L373-F464 HydrophobicContact CD2-CE1 4.28Å; L405-F464 HydrophobicContact CB-CZ 4.17Å; L405-F464 HydrophobicContact CD2-CD2 4.29Å; L405-F464 HydrophobicContact CD2-CE2 3.58Å; L405-F464 HydrophobicContact CD2-CZ 3.82Å; L405-F464 HydrophobicContact CG-CE1 4.41Å; L405-F464 HydrophobicContact CG-CE2 4.03Å; L405-F464 HydrophobicContact CG-CZ 3.71Å; L406-F464 HydrophobicContact CB-CE1 4.25Å; L406-F464 HydrophobicContact CB-CZ 4.14Å; L406-F464 HydrophobicContact CD1-CE1 3.97Å; V409-F464 HydrophobicContact CG2-CE1 4.48Å; Y449-F464 HydrophobicContact CE1-CD2 4Å; Y449-F464 HydrophobicContact CE1-CE2 4.46Å; W460-F464 HydrophobicContact CD2-CB 4.46Å; W460-F464 HydrophobicContact CE3-CB 4.41Å; W460-F464 HydrophobicContact CH2-CB 4.19Å; W460-F464 AromaticContact CH2-CD1 3.79Å; W460-F464 HydrophobicContact CH2-CD1 3.79Å; W460-F464 HydrophobicContact CH2-CD2 4.44Å; W460-F464 HydrophobicContact CH2-CE1 4.31Å; W460-F464 AromaticContact CH2-CG 3.88Å; W460-F464 HydrophobicContact CH2-CG 3.88Å; W460-F464 HydrophobicContact CZ2-CB 4.27Å; W460-F464 HydrophobicContact CZ2-CD1 4.45Å; W460-F464 HydrophobicContact CZ2-CD2 4.34Å; W460-F464 HydrophobicContact CZ2-CG 4.1Å; W460-F464 HydrophobicContact CZ3-CB 4.28Å; W460-F464 HydrophobicContact CZ3-CD1 4.1Å; W460-F464 HydrophobicContact CZ3-CG 4.32Å; W460-F464 WeakPolarHBondContact O-CB 3.45Å; W460-F464 PolarHBondContact O-N 3.41Å; I461-F464 PolarHBondContact O-N 2.89Å; F464-E466 PolarHBondContact O-N 3.23Å; F464-R467 WeakPolarHBondContact O-CB 3.41Å; F464-R467 PolarHBondContact O-N 3.45Å; F464-V468 HydrophobicContact CD1-CG2 4.34Å; F464-V468 HydrophobicContact CD2-CG2 4.28Å; F464-V468 HydrophobicContact CE1-CG2 3.93Å; F464-V468 HydrophobicContact CE2-CG2 3.85Å; F464-V468 HydrophobicContact CG-CG2 4.49Å; F464-V468 HydrophobicContact CZ-CG2 3.66Å; F464-V468 VanDerWaalsContact O-CG2 3.31Å; F464-V468 WeakPolarHBondContact O-CG2 3.42Å; F464-V468 PolarHBondContact O-N 3Å
465A96.1Very high93Very high8 Ų830.8 Ų30.87%0.06617%0.171CC..Hα-helixtrans-60.1-45.3174.700000112T372 L373 I461 G462 D463 R467 V468 K469T372-A465 HydrophobicContact CG2-CB 4.2Å; L373-A465 HydrophobicContact CD2-CB 4.18Å; I461-A465 WeakPolarHBondContact O-CB 3.46Å; I461-A465 PolarHBondContact O-N 3.29Å; G462-A465 PolarHBondContact O-N 3.24Å; D463-A465 VanDerWaalsContact C-N 3.31Å; D463-A465 PolarHBondContact O-N 3.4Å; A465-R467 VanDerWaalsContact C-N 3.35Å; A465-R467 PolarHBondContact O-N 3.23Å; A465-V468 PolarHBondContact O-N 3.18Å; A465-K469 PolarHBondContact O-N 3.44Å
466E95Very high93.1Very high101 Ų10134.6 Ų34.647%0.47219%0.191SC..Hα-helixtrans-66.1-35.8176.1-69.2-59.1142.200112.2G462 D463 F464 K469 Q470 W491G462-E466 PolarHBondContact O-N 2.96Å; D463-E466 PolarHBondContact O-N 3.27Å; F464-E466 PolarHBondContact O-N 3.23Å; E466-K469 PolarHBondContact O-N 3.43Å; E466-K469 IonicContact OE2-NZ 2.7Å; E466-Q470 PolarHBondContact O-N 3.18Å; E466-W491 HydrophobicContact CB-CH2 4.48Å; E466-W491 HydrophobicContact CB-CZ3 3.92Å
467R95.4Very high93Very high1 Ų133 Ų330%0.00418%0.183CC..Hα-helixtrans-60.5-48.2172-63.7-179.9-175.2-91.7-7.8111.8D463 F464 A465 K469 Q470 F471 W491 G493 G494 L495 Y596 N630D463-R467 WeakPolarHBondContact O-CG 3.49Å; D463-R467 PolarHBondContact O-N 3.43Å; D463-R467 IonicContact OD1-NE 2.75Å; D463-R467 IonicContact OD1-NH2 3.84Å; D463-R467 IonicContact OD2-CZ 2.73Å; D463-R467 VanDerWaalsContact OD2-CZ 3.31Å; D463-R467 IonicContact OD2-NE 2.73Å; D463-R467 PolarHBondContact OD2-NE 3.1Å; D463-R467 IonicContact OD2-NH2 3.05Å; D463-R467 PolarHBondContact OD2-NH2 3.44Å; F464-R467 WeakPolarHBondContact O-CB 3.41Å; F464-R467 PolarHBondContact O-N 3.45Å; A465-R467 VanDerWaalsContact C-N 3.35Å; A465-R467 PolarHBondContact O-N 3.23Å; R467-K469 VanDerWaalsContact C-N 3.3Å; R467-K469 PolarHBondContact O-N 3.01Å; R467-Q470 WeakPolarHBondContact O-CB 3.29Å; R467-Q470 PolarHBondContact O-N 3.19Å; R467-F471 HydrophobicContact CB-CE2 4.22Å; R467-F471 WeakPolarHBondContact O-CD2 3.35Å; R467-F471 PolarHBondContact O-N 3.36Å; R467-W491 HydrophobicContact CG-CZ3 4.24Å; R467-G493 PolarHBondContact NH1-O 3.46Å; R467-G493 PolarHBondContact NH2-O 3.19Å; R467-G494 WeakPolarHBondContact CD-O 3.46Å; R467-G494 WeakPolarHBondContact CG-O 3.49Å; R467-G494 PolarHBondContact NH1-O 2.94Å; R467-G494 VanDerWaalsContact NH1-O 3.08Å; R467-L495 PolarHBondContact NH1-O 3.03Å; R467-Y596 PolarHBondContact NH2-OH 2.54Å; R467-N630 PolarHBondContact NH2-ND2 3.34Å
468V95.8Very high92.6Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-62.8-39.9179.3175.10000110.7P374 L377 L406 F464 A465 Q470 F471 Q472P374-V468 HydrophobicContact CB-CG1 3.79Å; P374-V468 HydrophobicContact CG-CB 4.06Å; P374-V468 HydrophobicContact CG-CG1 3.59Å; L377-V468 HydrophobicContact CB-CG1 4.42Å; L377-V468 HydrophobicContact CD2-CG1 4.45Å; L406-V468 HydrophobicContact CD1-CG2 4.38Å; L406-V468 HydrophobicContact CD2-CG1 3.83Å; F464-V468 HydrophobicContact CD1-CG2 4.34Å; F464-V468 HydrophobicContact CD2-CG2 4.28Å; F464-V468 HydrophobicContact CE1-CG2 3.93Å; F464-V468 HydrophobicContact CE2-CG2 3.85Å; F464-V468 HydrophobicContact CG-CG2 4.49Å; F464-V468 HydrophobicContact CZ-CG2 3.66Å; F464-V468 VanDerWaalsContact O-CG2 3.31Å; F464-V468 WeakPolarHBondContact O-CG2 3.42Å; F464-V468 PolarHBondContact O-N 3Å; A465-V468 PolarHBondContact O-N 3.18Å; V468-Q470 PolarHBondContact O-N 2.93Å; V468-F471 PolarHBondContact O-N 3.26Å; V468-F471 VanDerWaalsContact O-N 3.15Å; V468-Q472 PolarHBondContact O-N 3.06Å
469K94.2Very high92.2Very high122 Ų12234.9 Ų34.953%0.5320%0.195SC..Hα-helixtrans-59.7-43.9174.4-176.2-177.2175.1-171.80111.9A465 E466 R467 Q472 T473A465-K469 PolarHBondContact O-N 3.44Å; E466-K469 PolarHBondContact O-N 3.43Å; E466-K469 IonicContact OE2-NZ 2.7Å; R467-K469 VanDerWaalsContact C-N 3.3Å; R467-K469 PolarHBondContact O-N 3.01Å; K469-Q472 PolarHBondContact O-N 3.31Å; K469-T473 PolarHBondContact O-N 2.92Å; K469-T473 VanDerWaalsContact O-N 3.11Å; K469-T473 PolarHBondContact O-OG1 3.27Å
470Q93.4Very high91.7Very high23 Ų2334 Ų3411%0.10720%0.197CC..Hα-helixtrans-59.1-47.3171.9169.8166.3-8900111.6E466 R467 V468 Q472 T473 V474 W491E466-Q470 PolarHBondContact O-N 3.18Å; R467-Q470 WeakPolarHBondContact O-CB 3.29Å; R467-Q470 PolarHBondContact O-N 3.19Å; V468-Q470 PolarHBondContact O-N 2.93Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.01Å; Q470-T473 WeakPolarHBondContact O-CB 3.35Å; Q470-T473 PolarHBondContact O-N 3.07Å; Q470-T473 VanDerWaalsContact O-N 3.14Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 3.31Å; Q470-W491 PolarHBondContact NE2-O 3.05Å
471F94.4Very high90.7Very high0 Ų037 Ų370%023%0.228CC..Hα-helixtrans-62.4-34.1178.7-68.2-52.2000112.7L377 E398 V399 A402 R467 V468 V474 V475 L495 L496L377-F471 HydrophobicContact CD1-CB 4.11Å; L377-F471 HydrophobicContact CD2-CB 3.82Å; E398-F471 HydrophobicContact CB-CE1 3.77Å; E398-F471 HydrophobicContact CB-CZ 4.24Å; V399-F471 HydrophobicContact CG2-CB 4.19Å; V399-F471 HydrophobicContact CG2-CD1 3.95Å; V399-F471 HydrophobicContact CG2-CG 4.39Å; A402-F471 HydrophobicContact CB-CD2 3.47Å; A402-F471 VanDerWaalsContact CB-CD2 3.47Å; A402-F471 HydrophobicContact CB-CE2 3.61Å; A402-F471 HydrophobicContact CB-CG 4.22Å; A402-F471 HydrophobicContact CB-CZ 4.44Å; R467-F471 HydrophobicContact CB-CE2 4.22Å; R467-F471 WeakPolarHBondContact O-CD2 3.35Å; R467-F471 PolarHBondContact O-N 3.36Å; V468-F471 PolarHBondContact O-N 3.26Å; V468-F471 VanDerWaalsContact O-N 3.15Å; F471-V474 WeakPolarHBondContact O-CB 3.49Å; F471-V474 PolarHBondContact O-N 2.97Å; F471-V475 WeakPolarHBondContact O-CG2 3.36Å; F471-V475 PolarHBondContact O-N 3.47Å; F471-L495 HydrophobicContact CE1-CD2 3.97Å; F471-L495 HydrophobicContact CZ-CD2 4.42Å; F471-L496 HydrophobicContact CE2-CD2 4.46Å; F471-L496 HydrophobicContact CE2-CG 4.21Å; F471-L496 HydrophobicContact CZ-CG 4.07Å
472Q92.6Very high89.4Confident51 Ų5144 Ų4424%0.23825%0.254CS..Hα-helixtrans-62.7-45173.1-171.75954.500111.1L377 V468 K469 Q470 V474 V475 D476L377-Q472 HydrophobicContact CD1-CB 4.22Å; V468-Q472 PolarHBondContact O-N 3.06Å; K469-Q472 PolarHBondContact O-N 3.31Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.01Å; Q472-V474 VanDerWaalsContact C-N 3.25Å; Q472-V474 PolarHBondContact O-N 2.75Å; Q472-V475 WeakPolarHBondContact O-CB 3.48Å; Q472-V475 PolarHBondContact O-N 3.25Å; Q472-V475 VanDerWaalsContact O-N 3.08Å; Q472-D476 PolarHBondContact NE2-OD1 3.12Å; Q472-D476 PolarHBondContact O-N 3.07Å
473T90.7Very high88Confident83 Ų8344.4 Ų44.451%0.50925%0.248SC..Hα-helixtrans-57.7-38.6173.1-53.70000112K469 Q470 A477K469-T473 PolarHBondContact O-N 2.92Å; K469-T473 VanDerWaalsContact O-N 3.11Å; K469-T473 PolarHBondContact O-OG1 3.27Å; Q470-T473 WeakPolarHBondContact O-CB 3.35Å; Q470-T473 PolarHBondContact O-N 3.07Å; Q470-T473 VanDerWaalsContact O-N 3.14Å; T473-A477 WeakPolarHBondContact O-CB 3.38Å; T473-A477 PolarHBondContact O-N 3.5Å
474V89.9Confident86.6Confident1 Ų150.5 Ų50.51%0.00627%0.274CS..Hα-helixtrans-61.7-48.3174178.70000110.9F395 V399 Q470 F471 Q472 D476 A477 V478 L486 I490F395-V474 HydrophobicContact CB-CG1 3.87Å; F395-V474 HydrophobicContact CD1-CG1 3.62Å; F395-V474 HydrophobicContact CD1-CG2 4.07Å; F395-V474 HydrophobicContact CD2-CG1 4.33Å; F395-V474 HydrophobicContact CE1-CG1 4.21Å; F395-V474 HydrophobicContact CE1-CG2 4Å; F395-V474 HydrophobicContact CG-CG1 3.7Å; V399-V474 HydrophobicContact CG2-CG1 4.33Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 3.31Å; F471-V474 WeakPolarHBondContact O-CB 3.49Å; F471-V474 PolarHBondContact O-N 2.97Å; Q472-V474 VanDerWaalsContact C-N 3.25Å; Q472-V474 PolarHBondContact O-N 2.75Å; V474-D476 PolarHBondContact O-N 2.84Å; V474-A477 PolarHBondContact O-N 3.36Å; V474-V478 HydrophobicContact CG1-CG2 4.33Å; V474-V478 WeakPolarHBondContact O-CB 3.26Å; V474-V478 VanDerWaalsContact O-CG2 3.24Å; V474-V478 WeakPolarHBondContact O-CG2 3.48Å; V474-V478 PolarHBondContact O-N 2.85Å; V474-L486 HydrophobicContact CB-CD2 4.25Å; V474-L486 HydrophobicContact CG1-CD1 4.18Å; V474-L486 HydrophobicContact CG2-CD2 3.88Å; V474-I490 HydrophobicContact CG2-CD1 4.47Å
475V89.4Confident85.2Confident4 Ų455.4 Ų55.42%0.02430%0.3CS..Hα-helixtrans-60.3-44.1179.1170.90000111.8L377 L378 L380 V399 F471 Q472 V478 S479L377-V475 HydrophobicContact CD1-CG2 4.15Å; L378-V475 HydrophobicContact CB-CG1 4.16Å; L380-V475 HydrophobicContact CD2-CB 4.49Å; L380-V475 HydrophobicContact CD2-CG1 4.37Å; L380-V475 HydrophobicContact CD2-CG2 4.09Å; L380-V475 HydrophobicContact CG-CG2 4.21Å; V399-V475 HydrophobicContact CG1-CG2 3.55Å; V399-V475 HydrophobicContact CG2-CG2 4.18Å; F471-V475 WeakPolarHBondContact O-CG2 3.36Å; F471-V475 PolarHBondContact O-N 3.47Å; Q472-V475 WeakPolarHBondContact O-CB 3.48Å; Q472-V475 PolarHBondContact O-N 3.25Å; Q472-V475 VanDerWaalsContact O-N 3.08Å; V475-V478 PolarHBondContact O-N 3.37Å; V475-S479 WeakPolarHBondContact O-CB 3.25Å; V475-S479 PolarHBondContact O-N 3.37Å; V475-S479 PolarHBondContact O-OG 3.31Å
476D89.1Confident83.7Confident86 Ų8655.8 Ų55.846%0.4630%0.301SS..Hα-helixtrans-66.3-39.9-179-63-19.4000111.5Q472 V474 S479 S480Q472-D476 PolarHBondContact NE2-OD1 3.12Å; Q472-D476 PolarHBondContact O-N 3.07Å; V474-D476 PolarHBondContact O-N 2.84Å; D476-S479 PolarHBondContact O-N 3.17Å; D476-S480 WeakPolarHBondContact O-CB 3.43Å; D476-S480 PolarHBondContact O-N 3.36Å; D476-S480 PolarHBondContact O-OG 3.05Å
477A86Confident82.4Confident15 Ų1551.9 Ų51.912%0.12428%0.282CS..Hα-helixtrans-70.3-37.9176.500000112.5T473 V474 S480 G481 R482 L486T473-A477 WeakPolarHBondContact O-CB 3.38Å; T473-A477 PolarHBondContact O-N 3.5Å; V474-A477 PolarHBondContact O-N 3.36Å; A477-S480 WeakPolarHBondContact CA-OG 3.39Å; A477-S480 PolarHBondContact O-N 2.63Å; A477-S480 PolarHBondContact O-OG 3.24Å; A477-G481 PolarHBondContact O-N 3.05Å; A477-R482 PolarHBondContact O-N 3.11Å; A477-L486 HydrophobicContact CB-CD1 3.35Å; A477-L486 HydrophobicContact CB-CD2 4.11Å; A477-L486 HydrophobicContact CB-CG 3.49Å; A477-L486 VanDerWaalsContact CB-CG 3.49Å
478V83.7Confident81.2Confident22 Ų2254.5 Ų54.513%0.13330%0.297CS..Hα-helixtrans-62.3-46.1171.6169.30000111L380 Y392 V474 V475 S480 G481 I483 L486L380-V478 HydrophobicContact CD1-CG2 4.31Å; L380-V478 HydrophobicContact CD2-CB 4.13Å; L380-V478 HydrophobicContact CD2-CG1 3.79Å; Y392-V478 HydrophobicContact CD2-CG1 4.39Å; Y392-V478 HydrophobicContact CE2-CG1 3.66Å; V474-V478 HydrophobicContact CG1-CG2 4.33Å; V474-V478 WeakPolarHBondContact O-CB 3.26Å; V474-V478 VanDerWaalsContact O-CG2 3.24Å; V474-V478 WeakPolarHBondContact O-CG2 3.48Å; V474-V478 PolarHBondContact O-N 2.85Å; V475-V478 PolarHBondContact O-N 3.37Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 2.77Å; V478-G481 PolarHBondContact O-N 3.4Å; V478-G481 VanDerWaalsContact O-N 3.1Å; V478-I483 HydrophobicContact CB-CD1 4.4Å; V478-I483 HydrophobicContact CB-CG1 4.29Å; V478-I483 HydrophobicContact CG1-CD1 4.28Å; V478-I483 HydrophobicContact CG2-CD1 3.99Å; V478-I483 HydrophobicContact CG2-CG1 3.85Å; V478-L486 HydrophobicContact CG2-CD1 4.38Å
479S81.6Confident80.7Confident93 Ų9360.3 Ų60.365%0.6532%0.324SS*.Hα-helixtrans-66.2-32.8-178.6-570000112.7V475 D476 G481V475-S479 WeakPolarHBondContact O-CB 3.25Å; V475-S479 PolarHBondContact O-N 3.37Å; V475-S479 PolarHBondContact O-OG 3.31Å; D476-S479 PolarHBondContact O-N 3.17Å; S479-G481 VanDerWaalsContact C-N 3.29Å
480S82.3Confident80.5Confident55 Ų5554.6 Ų54.639%0.38530%0.299SS..THydrogen-bonded Turntrans-843.3174.757.50000114.3D476 A477 V478 R482D476-S480 WeakPolarHBondContact O-CB 3.43Å; D476-S480 PolarHBondContact O-N 3.36Å; D476-S480 PolarHBondContact O-OG 3.05Å; A477-S480 WeakPolarHBondContact CA-OG 3.39Å; A477-S480 PolarHBondContact O-N 2.63Å; A477-S480 PolarHBondContact O-OG 3.24Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 2.77Å; S480-R482 PolarHBondContact O-N 3.49Å; S480-R482 PolarHBondContact OG-NE 2.68Å; S480-R482 PolarHBondContact OG-NH2 3.37Å
481G72.9Confident80.6Confident63 Ų6355.4 Ų55.465%0.64930%0.301SS*.THydrogen-bonded Turntrans70.88.4-178.200000114.6A477 V478 S479 I483A477-G481 PolarHBondContact O-N 3.05Å; V478-G481 PolarHBondContact O-N 3.4Å; V478-G481 VanDerWaalsContact O-N 3.1Å; S479-G481 VanDerWaalsContact C-N 3.29Å; G481-I483 VanDerWaalsContact C-N 3.33Å; G481-I483 PolarHBondContact O-N 3.44Å
482R69Low80.5Confident147 Ų14755.4 Ų55.456%0.55530%0.301SS*.  trans-95.437.6-175.7-66.8-177.3-67.4179.5-0.7112.7A477 S480 K484 N485A477-R482 PolarHBondContact O-N 3.11Å; S480-R482 PolarHBondContact O-N 3.49Å; S480-R482 PolarHBondContact OG-NE 2.68Å; S480-R482 PolarHBondContact OG-NH2 3.37Å; R482-K484 PolarHBondContact O-N 2.86Å; R482-N485 HydrophobicContact CB-CB 4.41Å; R482-N485 WeakPolarHBondContact O-CB 3.31Å; R482-N485 PolarHBondContact O-N 2.85Å
483I65.8Low80.5Confident43 Ų4353 Ų5322%0.22129%0.29CS..Hα-helixtrans-59.1-31.4178.9-59.4174.5000111.5Y392 V478 G481 N485 L486Y392-I483 HydrophobicContact CD2-CD1 4.04Å; V478-I483 HydrophobicContact CB-CD1 4.4Å; V478-I483 HydrophobicContact CB-CG1 4.29Å; V478-I483 HydrophobicContact CG1-CD1 4.28Å; V478-I483 HydrophobicContact CG2-CD1 3.99Å; V478-I483 HydrophobicContact CG2-CG1 3.85Å; G481-I483 VanDerWaalsContact C-N 3.33Å; G481-I483 PolarHBondContact O-N 3.44Å; I483-N485 VanDerWaalsContact C-N 3.25Å; I483-N485 PolarHBondContact O-N 2.81Å; I483-L486 WeakPolarHBondContact O-CB 3.38Å; I483-L486 PolarHBondContact O-N 3.02Å; I483-L486 VanDerWaalsContact O-N 3.14Å
484K65.2Low80.6Confident142 Ų14249 Ų4962%0.61727%0.265SS*.Hα-helixtrans-60.5-33.7174.8-65.6-167.1177.1-164.70112.9R482 L486 K487R482-K484 PolarHBondContact O-N 2.86Å; K484-L486 VanDerWaalsContact C-N 3.31Å; K484-L486 PolarHBondContact O-N 2.97Å; K484-K487 VanDerWaalsContact O-CB 3.29Å; K484-K487 WeakPolarHBondContact O-CB 3.23Å; K484-K487 WeakPolarHBondContact O-CG 3.35Å; K484-K487 PolarHBondContact O-N 3.5Å
485N66Low80.8Confident104 Ų10449 Ų4956%0.55627%0.266SS*.Hα-helixtrans-73.3-25.4179.1-64.42.7000112.2R482 I483 K487 N488R482-N485 HydrophobicContact CB-CB 4.41Å; R482-N485 WeakPolarHBondContact O-CB 3.31Å; R482-N485 PolarHBondContact O-N 2.85Å; I483-N485 VanDerWaalsContact C-N 3.25Å; I483-N485 PolarHBondContact O-N 2.81Å; N485-K487 PolarHBondContact O-N 3.5Å; N485-N488 PolarHBondContact O-N 3.36Å
486L65.3Low81.1Confident15 Ų1549.9 Ų49.98%0.07927%0.27CS..Hα-helixtrans-64.3-22.6173.1-83.4157.1000112.5V474 A477 V478 I483 K484 N488 I490V474-L486 HydrophobicContact CB-CD2 4.25Å; V474-L486 HydrophobicContact CG1-CD1 4.18Å; V474-L486 HydrophobicContact CG2-CD2 3.88Å; A477-L486 HydrophobicContact CB-CD1 3.35Å; A477-L486 HydrophobicContact CB-CD2 4.11Å; A477-L486 HydrophobicContact CB-CG 3.49Å; A477-L486 VanDerWaalsContact CB-CG 3.49Å; V478-L486 HydrophobicContact CG2-CD1 4.38Å; I483-L486 WeakPolarHBondContact O-CB 3.38Å; I483-L486 PolarHBondContact O-N 3.02Å; I483-L486 VanDerWaalsContact O-N 3.14Å; K484-L486 VanDerWaalsContact C-N 3.31Å; K484-L486 PolarHBondContact O-N 2.97Å; L486-N488 PolarHBondContact O-N 3.32Å; L486-I490 HydrophobicContact CD2-CD1 4.01Å; L486-I490 WeakPolarHBondContact O-CG1 3.17Å
487K67.4Low81.3Confident19 Ų1947.8 Ų47.88%0.08326%0.262CS..THydrogen-bonded Turntrans-55.3-23.4176.8-69.1-174.8177.6-176.30112K484 N485 F508 D537 F540 G541K484-K487 VanDerWaalsContact O-CB 3.29Å; K484-K487 WeakPolarHBondContact O-CB 3.23Å; K484-K487 WeakPolarHBondContact O-CG 3.35Å; K484-K487 PolarHBondContact O-N 3.5Å; N485-K487 PolarHBondContact O-N 3.5Å; K487-F508 VanDerWaalsContact NZ-CE1 3.28Å; K487-D537 PolarHBondContact NZ-O 2.96Å; K487-D537 IonicContact NZ-OD1 2.71Å; K487-D537 PolarHBondContact NZ-OD1 3.18Å; K487-F540 HydrophobicContact CB-CD1 4.39Å; K487-F540 HydrophobicContact CD-CE1 4.4Å; K487-F540 HydrophobicContact CG-CD1 4.28Å; K487-F540 HydrophobicContact CG-CE1 4.21Å; K487-F540 CarbonylContact O-C 3.54Å; K487-F540 VanDerWaalsContact O-CA 3.3Å; K487-F540 WeakPolarHBondContact O-CA 3.44Å; K487-G541 PolarHBondContact O-N 3.33Å
488N70.5Confident81.6Confident56 Ų5647.2 Ų47.230%0.29926%0.257SS..THydrogen-bonded Turntrans-96.4-14.6-164.9-64.4-9.8000115.9N485 L486 F530 M535 G541N485-N488 PolarHBondContact O-N 3.36Å; L486-N488 PolarHBondContact O-N 3.32Å; N488-F530 VanDerWaalsContact O-CE1 3.23Å; N488-F530 WeakPolarHBondContact O-CE1 3.46Å; N488-F530 WeakPolarHBondContact O-CZ 3.47Å; N488-M535 HydrophobicContact CB-CE 4.46Å; N488-M535 WeakPolarHBondContact OD1-CE 3.24Å; N488-G541 CarbonylContact C-O 3.51Å; N488-G541 CarbonylContact O-C 3.59Å; N488-G541 WeakPolarHBondContact O-CA 3.21Å
489Q84.6Confident82Confident123 Ų12348.5 Ų48.558%0.57526%0.262SS*.  trans-150.364-171.2-61.7-176.72.300113.2F530 G541Q489-F530 HydrophobicContact CG-CD2 4.18Å; Q489-F530 HydrophobicContact CG-CE2 3.97Å; Q489-F530 HydrophobicContact CG-CZ 4.41Å; Q489-G541 PolarHBondContact N-O 3.46Å
490I91.6Very high82.6Confident2 Ų245.2 Ų45.21%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-102.5126.7175.6-61.3-62.3000111F395 V474 L486 I492 L495 Y501 G541 V542 I543F395-I490 HydrophobicContact CE1-CD1 4.15Å; F395-I490 HydrophobicContact CZ-CD1 3.96Å; F395-I490 HydrophobicContact CZ-CG1 4.26Å; V474-I490 HydrophobicContact CG2-CD1 4.47Å; L486-I490 HydrophobicContact CD2-CD1 4.01Å; L486-I490 WeakPolarHBondContact O-CG1 3.17Å; I490-I492 PolarHBondContact O-N 3.47Å; I490-L495 HydrophobicContact CG2-CD1 4.1Å; I490-L495 HydrophobicContact CG2-CD2 4.37Å; I490-L495 HydrophobicContact CG2-CG 4.42Å; I490-Y501 HydrophobicContact CG1-CE2 4.4Å; I490-Y501 HydrophobicContact CG2-CE2 4.27Å; I490-G541 PolarHBondContact N-O 3.06Å; I490-V542 VanDerWaalsContact O-CA 3.29Å; I490-V542 WeakPolarHBondContact O-CA 3.24Å; I490-V542 WeakPolarHBondContact O-CG1 3.3Å; I490-I543 PolarHBondContact O-N 3.41Å; I490-I543 VanDerWaalsContact O-N 3.07Å
491W93.9Very high83.1Confident39 Ų3942.6 Ų42.615%0.14822%0.222CC..EExtended strand (participates in β ladder)trans-79.497.3165.9177.437000109.5D463 E466 R467 Q470 G493 G494 I543 C629 N630D463-W491 WeakPolarHBondContact OD1-CH2 3.44Å; E466-W491 HydrophobicContact CB-CH2 4.48Å; E466-W491 HydrophobicContact CB-CZ3 3.92Å; R467-W491 HydrophobicContact CG-CZ3 4.24Å; Q470-W491 PolarHBondContact NE2-O 3.05Å; W491-G493 PolarHBondContact O-N 3.32Å; W491-G494 VanDerWaalsContact CD2-N 3.33Å; W491-G494 VanDerWaalsContact CE3-CA 3.42Å; W491-G494 PolarHBondContact O-N 3.45Å; W491-I543 HydrophobicContact CB-CD1 4.36Å; W491-I543 HydrophobicContact CB-CG1 3.93Å; W491-C629 PolarHBondContact NE1-O 3.08Å; W491-N630 HydrophobicContact CZ2-CB 4.2Å; W491-N630 WeakPolarHBondContact CZ2-ND2 2.92Å
492I93.2Very high84.1Confident0 Ų040.4 Ų40.40%020%0.195CC..G310 helixtrans-57-37.9179.6-70.4179.1000111.1I490 G494 L495 P498 Y501 V542 L573 L603 F604I490-I492 PolarHBondContact O-N 3.47Å; I492-G494 PolarHBondContact O-N 2.88Å; I492-L495 WeakPolarHBondContact O-CB 3.45Å; I492-L495 PolarHBondContact O-N 3.42Å; I492-L495 VanDerWaalsContact O-N 3.13Å; I492-P498 HydrophobicContact CG2-CB 3.63Å; I492-Y501 HydrophobicContact CD1-CD1 3.99Å; I492-Y501 HydrophobicContact CD1-CE1 4.01Å; I492-Y501 HydrophobicContact CG1-CD1 3.95Å; I492-Y501 HydrophobicContact CG1-CE1 4.02Å; I492-V542 HydrophobicContact CB-CG1 4.33Å; I492-V542 HydrophobicContact CD1-CB 4.34Å; I492-V542 HydrophobicContact CD1-CG1 3.68Å; I492-V542 HydrophobicContact CD1-CG2 3.65Å; I492-V542 HydrophobicContact CG1-CG1 3.76Å; I492-V542 HydrophobicContact CG1-CG2 4.11Å; I492-L573 HydrophobicContact CD1-CD1 3.99Å; I492-L603 HydrophobicContact CG2-CD1 4.33Å; I492-F604 HydrophobicContact CD1-CZ 4.29Å
493G92.2Very high85.2Confident0 Ų036.9 Ų36.90%019%0.19CC..G310 helixtrans-66.3-15.4178.200000114.6R467 W491 C629 N630R467-G493 PolarHBondContact NH1-O 3.46Å; R467-G493 PolarHBondContact NH2-O 3.19Å; W491-G493 PolarHBondContact O-N 3.32Å; G493-C629 WeakPolarHBondContact CA-O 3.48Å; G493-N630 PolarHBondContact O-ND2 3.14Å
494G93.5Very high86.5Confident0 Ų035.1 Ų35.10%018%0.181CC..G310 helixtrans-88.8-11.5175.600000114.3R467 W491 I492R467-G494 WeakPolarHBondContact CD-O 3.46Å; R467-G494 WeakPolarHBondContact CG-O 3.49Å; R467-G494 PolarHBondContact NH1-O 2.94Å; R467-G494 VanDerWaalsContact NH1-O 3.08Å; W491-G494 VanDerWaalsContact CD2-N 3.33Å; W491-G494 VanDerWaalsContact CE3-CA 3.42Å; W491-G494 PolarHBondContact O-N 3.45Å; I492-G494 PolarHBondContact O-N 2.88Å
495L94.8Very high87.8Confident2 Ų228.4 Ų28.41%0.0115%0.153CC..SBendtrans-74.3150.7177-58170.8000110.8F394 R467 F471 I490 I492 P498 Y501F394-L495 HydrophobicContact CE1-CD1 4.27Å; F394-L495 HydrophobicContact CE1-CD2 4.26Å; F394-L495 HydrophobicContact CZ-CD1 4.02Å; F394-L495 HydrophobicContact CZ-CD2 4.32Å; R467-L495 PolarHBondContact NH1-O 3.03Å; F471-L495 HydrophobicContact CE1-CD2 3.97Å; F471-L495 HydrophobicContact CZ-CD2 4.42Å; I490-L495 HydrophobicContact CG2-CD1 4.1Å; I490-L495 HydrophobicContact CG2-CD2 4.37Å; I490-L495 HydrophobicContact CG2-CG 4.42Å; I492-L495 WeakPolarHBondContact O-CB 3.45Å; I492-L495 PolarHBondContact O-N 3.42Å; I492-L495 VanDerWaalsContact O-N 3.13Å; L495-P498 HydrophobicContact CB-CB 4.49Å; L495-Y501 HydrophobicContact CD1-CD1 4.38Å; L495-Y501 HydrophobicContact CD1-CD2 4.04Å; L495-Y501 HydrophobicContact CD1-CG 3.77Å
496L94.1Very high89.1Confident22 Ų2227.4 Ų27.412%0.11514%0.141CC..SBendtrans-75.2-38.3175.3-55-179.8000110.7E398 A402 Y449 F471E398-L496 WeakPolarHBondContact OE2-CA 3.43Å; E398-L496 WeakPolarHBondContact OE2-CB 3.26Å; E398-L496 PolarHBondContact OE2-N 3.32Å; A402-L496 HydrophobicContact CB-CD1 4.09Å; Y449-L496 HydrophobicContact CD1-CD2 3.44Å; Y449-L496 VanDerWaalsContact CD1-CD2 3.44Å; Y449-L496 HydrophobicContact CE1-CD2 3.92Å; Y449-L496 HydrophobicContact CG-CD2 3.86Å; F471-L496 HydrophobicContact CE2-CD2 4.46Å; F471-L496 HydrophobicContact CE2-CG 4.21Å; F471-L496 HydrophobicContact CZ-CG 4.07Å
497S93.5Very high90.4Very high42 Ų4229.5 Ų29.529%0.29415%0.15SC..SBendtrans-126.473.6179.1-45.30000112E398 E499 A500E398-S497 WeakPolarHBondContact OE1-CB 3.42Å; E398-S497 PolarHBondContact OE1-N 2.65Å; E398-S497 PolarHBondContact OE1-OG 2.98Å; E398-S497 PolarHBondContact OE2-N 2.84Å; S497-E499 VanDerWaalsContact C-N 3.35Å; S497-E499 PolarHBondContact O-N 2.99Å; S497-A500 WeakPolarHBondContact O-CB 3.38Å; S497-A500 PolarHBondContact O-N 3.07Å
498P93.1Very high91.6Very high3 Ų330.4 Ų30.42%0.01915%0.154CC..Hα-helixtrans-61.6-30.2-174.223.3-35.1000115.3I492 L495 A500 Y501 L595 L603I492-P498 HydrophobicContact CG2-CB 3.63Å; L495-P498 HydrophobicContact CB-CB 4.49Å; P498-A500 VanDerWaalsContact C-N 3.27Å; P498-A500 PolarHBondContact O-N 3.48Å; P498-Y501 VanDerWaalsContact O-CB 3.29Å; P498-Y501 WeakPolarHBondContact O-CB 3.29Å; P498-Y501 PolarHBondContact O-N 3.02Å; P498-L595 HydrophobicContact CG-CD1 4.13Å; P498-L603 HydrophobicContact CB-CD1 4Å; P498-L603 HydrophobicContact CB-CD2 4.21Å; P498-L603 HydrophobicContact CG-CD1 4.03Å; P498-L603 HydrophobicContact CG-CD2 3.56Å; P498-L603 HydrophobicContact CG-CG 4.45Å
499E92.4Very high92.6Very high49 Ų4927.7 Ų27.723%0.22914%0.14CC..Hα-helixtrans-68.3-31.1178.2-55.491.2160.800112.2S497 Y501 L502 T503 R601 L603S497-E499 VanDerWaalsContact C-N 3.35Å; S497-E499 PolarHBondContact O-N 2.99Å; E499-Y501 PolarHBondContact O-N 3.38Å; E499-L502 PolarHBondContact O-N 2.71Å; E499-T503 PolarHBondContact O-N 3.11Å; E499-T503 VanDerWaalsContact O-N 3.14Å; E499-T503 PolarHBondContact O-OG1 3.14Å; E499-R601 IonicContact OE1-CZ 3.79Å; E499-R601 IonicContact OE1-NE 3.57Å; E499-R601 PolarHBondContact OE1-NE 3.2Å; E499-R601 IonicContact OE1-NH2 3.09Å; E499-R601 PolarHBondContact OE1-NH2 3.13Å; E499-R601 IonicContact OE2-NH2 3.91Å; E499-L603 HydrophobicContact CG-CD2 3.95Å; E499-L603 VanDerWaalsContact OE1-CD2 3.29Å; E499-L603 WeakPolarHBondContact OE1-CD2 3.18Å
500A93.2Very high92.9Very high23 Ų2322.2 Ų22.219%0.1912%0.116CC..Hα-helixtrans-70.4-24.2176.400000112F394 S497 P498 T503 A504F394-A500 HydrophobicContact CD2-CB 3.89Å; F394-A500 VanDerWaalsContact CE2-C 3.5Å; F394-A500 HydrophobicContact CE2-CB 3.72Å; S497-A500 WeakPolarHBondContact O-CB 3.38Å; S497-A500 PolarHBondContact O-N 3.07Å; P498-A500 VanDerWaalsContact C-N 3.27Å; P498-A500 PolarHBondContact O-N 3.48Å; A500-T503 PolarHBondContact O-N 3.36Å; A500-A504 WeakPolarHBondContact O-CB 3.29Å; A500-A504 PolarHBondContact O-N 2.98Å
501Y94.1Very high92.9Very high1 Ų127.5 Ų27.50%0.00414%0.14CC..Hα-helixtrans-63.7-50.1171.8177.9-106.8000111M391 F394 F395 I490 I492 L495 P498 E499 T503 A504 T505M391-Y501 HydrophobicContact CE-CD2 4.22Å; M391-Y501 HydrophobicContact CE-CE2 3.66Å; F394-Y501 HydrophobicContact CD1-CD2 4.03Å; F394-Y501 AromaticContact CE1-CD2 3.59Å; F394-Y501 HydrophobicContact CE1-CD2 3.59Å; F394-Y501 HydrophobicContact CE1-CG 4.23Å; F394-Y501 HydrophobicContact CZ-CD2 4.17Å; F394-Y501 HydrophobicContact CZ-CG 4.36Å; F395-Y501 HydrophobicContact CZ-CE2 4.05Å; I490-Y501 HydrophobicContact CG1-CE2 4.4Å; I490-Y501 HydrophobicContact CG2-CE2 4.27Å; I492-Y501 HydrophobicContact CD1-CD1 3.99Å; I492-Y501 HydrophobicContact CD1-CE1 4.01Å; I492-Y501 HydrophobicContact CG1-CD1 3.95Å; I492-Y501 HydrophobicContact CG1-CE1 4.02Å; L495-Y501 HydrophobicContact CD1-CD1 4.38Å; L495-Y501 HydrophobicContact CD1-CD2 4.04Å; L495-Y501 HydrophobicContact CD1-CG 3.77Å; P498-Y501 VanDerWaalsContact O-CB 3.29Å; P498-Y501 WeakPolarHBondContact O-CB 3.29Å; P498-Y501 PolarHBondContact O-N 3.02Å; E499-Y501 PolarHBondContact O-N 3.38Å; Y501-T503 VanDerWaalsContact C-N 3.27Å; Y501-T503 PolarHBondContact O-N 3.19Å; Y501-A504 WeakPolarHBondContact O-CB 3.32Å; Y501-A504 PolarHBondContact O-N 2.82Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; Y501-T505 HydrophobicContact CD1-CG2 4.31Å; Y501-T505 HydrophobicContact CD2-CG2 4.4Å; Y501-T505 HydrophobicContact CE1-CG2 3.92Å; Y501-T505 HydrophobicContact CE2-CG2 4.04Å; Y501-T505 WeakPolarHBondContact O-CG2 3.31Å; Y501-T505 PolarHBondContact O-N 2.49Å; Y501-T505 PolarHBondContact O-OG1 2.93Å
502L92.6Very high92.7Very high16 Ų1629.1 Ų29.18%0.08415%0.15CC..Hα-helixtrans-62.6-36.8177.2-72-166.4000112.8E499 A504 T505 R506 L522 L573 F604E499-L502 PolarHBondContact O-N 2.71Å; L502-A504 VanDerWaalsContact C-N 3.31Å; L502-T505 WeakPolarHBondContact CA-OG1 3.46Å; L502-T505 PolarHBondContact O-N 2.73Å; L502-T505 PolarHBondContact O-OG1 3.23Å; L502-R506 WeakPolarHBondContact O-CB 3.39Å; L502-R506 PolarHBondContact O-N 3.27Å; L502-L522 HydrophobicContact CD1-CD2 4.42Å; L502-L522 HydrophobicContact CD2-CD2 4.42Å; L502-L573 HydrophobicContact CD2-CD1 3.94Å; L502-F604 HydrophobicContact CD1-CB 3.66Å; L502-F604 HydrophobicContact CD1-CD1 3.09Å; L502-F604 HydrophobicContact CD1-CD2 3.7Å; L502-F604 HydrophobicContact CD1-CE1 3.49Å; L502-F604 VanDerWaalsContact CD1-CE1 3.49Å; L502-F604 HydrophobicContact CD1-CE2 4.01Å; L502-F604 HydrophobicContact CD1-CG 3.21Å; L502-F604 HydrophobicContact CD1-CZ 3.93Å; L502-F604 HydrophobicContact CG-CD1 4.09Å; L502-F604 HydrophobicContact CG-CE1 4.1Å
503T93.1Very high92.5Very high74 Ų7431.6 Ų31.645%0.45416%0.164SC..Hα-helixtrans-63.4-41.7174.7-54.90000110.8E499 A500 Y501 R506 Q507E499-T503 PolarHBondContact O-N 3.11Å; E499-T503 VanDerWaalsContact O-N 3.14Å; E499-T503 PolarHBondContact O-OG1 3.14Å; A500-T503 PolarHBondContact O-N 3.36Å; Y501-T503 VanDerWaalsContact C-N 3.27Å; Y501-T503 PolarHBondContact O-N 3.19Å; T503-R506 PolarHBondContact O-N 3.3Å; T503-Q507 WeakPolarHBondContact O-CB 3.21Å; T503-Q507 VanDerWaalsContact O-CG 3.29Å; T503-Q507 WeakPolarHBondContact O-CG 3.44Å; T503-Q507 PolarHBondContact O-N 3.31Å
504A92.7Very high92.3Very high5 Ų540.2 Ų40.24%0.04120%0.204CC..Hα-helixtrans-66.6-43.1177.900000112.2M391 F394 A500 Y501 L502 Q507 F508M391-A504 HydrophobicContact SD-CB 3.93Å; F394-A504 HydrophobicContact CB-CB 3.67Å; F394-A504 HydrophobicContact CD2-CB 4.43Å; F394-A504 HydrophobicContact CG-CB 4.03Å; A500-A504 WeakPolarHBondContact O-CB 3.29Å; A500-A504 PolarHBondContact O-N 2.98Å; Y501-A504 WeakPolarHBondContact O-CB 3.32Å; Y501-A504 PolarHBondContact O-N 2.82Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; L502-A504 VanDerWaalsContact C-N 3.31Å; A504-Q507 PolarHBondContact O-N 2.85Å; A504-F508 WeakPolarHBondContact O-CB 3.37Å; A504-F508 PolarHBondContact O-N 3.46Å
505T92.7Very high92.2Very high2 Ų244 Ų441%0.01222%0.218CC..Hα-helixtrans-65.1-39.817760.40000111.5M391 Y501 L502 F508 V509 F540 W575M391-T505 HydrophobicContact CE-CG2 3.87Å; M391-T505 HydrophobicContact SD-CG2 3.69Å; Y501-T505 HydrophobicContact CD1-CG2 4.31Å; Y501-T505 HydrophobicContact CD2-CG2 4.4Å; Y501-T505 HydrophobicContact CE1-CG2 3.92Å; Y501-T505 HydrophobicContact CE2-CG2 4.04Å; Y501-T505 WeakPolarHBondContact O-CG2 3.31Å; Y501-T505 PolarHBondContact O-N 2.49Å; Y501-T505 PolarHBondContact O-OG1 2.93Å; L502-T505 WeakPolarHBondContact CA-OG1 3.46Å; L502-T505 PolarHBondContact O-N 2.73Å; L502-T505 PolarHBondContact O-OG1 3.23Å; T505-F508 PolarHBondContact O-N 3.4Å; T505-V509 WeakPolarHBondContact O-CG2 3.38Å; T505-V509 PolarHBondContact O-N 3.2Å; T505-F540 HydrophobicContact CG2-CD1 3.51Å; T505-F540 HydrophobicContact CG2-CD2 4.07Å; T505-F540 HydrophobicContact CG2-CE1 3.53Å; T505-F540 HydrophobicContact CG2-CE2 4.12Å; T505-F540 HydrophobicContact CG2-CG 3.79Å; T505-F540 HydrophobicContact CG2-CZ 3.84Å; T505-W575 PolarHBondContact OG1-NE1 3.15Å
506R93.7Very high92Very high82 Ų8246.3 Ų46.331%0.30924%0.235SC..Hα-helixtrans-61.4-46.4173.7-167-179.2-179171.14.9111.8L502 T503 F508 V509 A510 L517 L520 W575L502-R506 WeakPolarHBondContact O-CB 3.39Å; L502-R506 PolarHBondContact O-N 3.27Å; T503-R506 PolarHBondContact O-N 3.3Å; R506-F508 VanDerWaalsContact C-N 3.34Å; R506-V509 PolarHBondContact O-N 2.99Å; R506-A510 VanDerWaalsContact O-CB 3.3Å; R506-A510 WeakPolarHBondContact O-CB 3.34Å; R506-A510 PolarHBondContact O-N 3.43Å; R506-L517 HydrophobicContact CG-CD2 3.93Å; R506-L517 PolarHBondContact NE-O 2.68Å; R506-L517 PolarHBondContact NH2-O 2.8Å; R506-L520 HydrophobicContact CG-CB 4.31Å; R506-L520 HydrophobicContact CG-CD1 3.84Å; R506-W575 HydrophobicContact CB-CD2 4.3Å; R506-W575 HydrophobicContact CB-CH2 3.9Å; R506-W575 HydrophobicContact CB-CZ2 3.6Å; R506-W575 HydrophobicContact CB-CZ3 4.36Å; R506-W575 HydrophobicContact CG-CD2 4.31Å; R506-W575 HydrophobicContact CG-CE3 4.14Å; R506-W575 HydrophobicContact CG-CH2 3.91Å; R506-W575 HydrophobicContact CG-CZ2 4.09Å; R506-W575 HydrophobicContact CG-CZ3 3.92Å
507Q92.6Very high91.7Very high60 Ų6049 Ų4928%0.2825%0.249SC..Hα-helixtrans-63.4-40.3177-75.6177.85.300112.2P390 T503 A504 A510 Q511 L517P390-Q507 HydrophobicContact CB-CB 3.86Å; P390-Q507 HydrophobicContact CG-CB 3.95Å; T503-Q507 WeakPolarHBondContact O-CB 3.21Å; T503-Q507 VanDerWaalsContact O-CG 3.29Å; T503-Q507 WeakPolarHBondContact O-CG 3.44Å; T503-Q507 PolarHBondContact O-N 3.31Å; A504-Q507 PolarHBondContact O-N 2.85Å; Q507-A510 PolarHBondContact O-N 3.46Å; Q507-Q511 WeakPolarHBondContact O-CB 3.32Å; Q507-Q511 VanDerWaalsContact O-CG 3.26Å; Q507-Q511 WeakPolarHBondContact O-CG 3.48Å; Q507-Q511 PolarHBondContact O-N 3.45Å; Q507-L517 HydrophobicContact CG-CD2 4.08Å
508F91.4Very high91.3Very high37 Ų3754.8 Ų54.816%0.16227%0.271CS..Hα-helixtrans-59.6-49.9177.3177.3-86.6000111.2M391 K487 A504 T505 R506 Q511 M512 F540M391-F508 HydrophobicContact CB-CD2 4.48Å; M391-F508 HydrophobicContact CG-CB 3.87Å; M391-F508 HydrophobicContact CG-CD2 3.71Å; M391-F508 HydrophobicContact CG-CG 3.87Å; M391-F508 HydrophobicContact SD-CB 4.38Å; K487-F508 VanDerWaalsContact NZ-CE1 3.28Å; A504-F508 WeakPolarHBondContact O-CB 3.37Å; A504-F508 PolarHBondContact O-N 3.46Å; T505-F508 PolarHBondContact O-N 3.4Å; R506-F508 VanDerWaalsContact C-N 3.34Å; F508-Q511 PolarHBondContact O-N 2.99Å; F508-M512 HydrophobicContact CE1-SD 3.85Å; F508-M512 HydrophobicContact CZ-SD 4.27Å; F508-M512 VanDerWaalsContact O-CB 3.29Å; F508-M512 WeakPolarHBondContact O-CB 3.34Å; F508-M512 PolarHBondContact O-N 3.18Å; F508-F540 AromaticContact CD1-CZ 3.91Å; F508-F540 HydrophobicContact CD1-CZ 3.91Å
509V91.5Very high91Very high0 Ų058.5 Ų58.50%029%0.288CS..Hα-helixtrans-67.5-41.6-179.9177.20000111.8T505 R506 Q511 M512 N513 W515 L520 C538 F540 W575T505-V509 WeakPolarHBondContact O-CG2 3.38Å; T505-V509 PolarHBondContact O-N 3.2Å; R506-V509 PolarHBondContact O-N 2.99Å; V509-Q511 VanDerWaalsContact C-N 3.34Å; V509-Q511 PolarHBondContact O-N 3.43Å; V509-M512 PolarHBondContact O-N 2.94Å; V509-N513 PolarHBondContact O-N 3.04Å; V509-N513 VanDerWaalsContact O-N 3.07Å; V509-W515 HydrophobicContact CG1-CE3 4.07Å; V509-W515 HydrophobicContact CG1-CZ3 3.89Å; V509-L520 HydrophobicContact CG1-CD2 4.23Å; V509-C538 HydrophobicContact CG1-CB 4.17Å; V509-C538 HydrophobicContact CG2-CB 4.26Å; V509-F540 HydrophobicContact CG2-CE2 3.74Å; V509-F540 HydrophobicContact CG2-CZ 4.07Å; V509-W575 HydrophobicContact CB-CB 4.11Å; V509-W575 HydrophobicContact CB-CG 4.48Å; V509-W575 HydrophobicContact CG1-CB 3.91Å; V509-W575 HydrophobicContact CG2-CB 4.07Å; V509-W575 HydrophobicContact CG2-CG 4.29Å
510A92.1Very high90.9Very high8 Ų856.7 Ų56.77%0.06628%0.28CS..Hα-helixtrans-58.7-44.2175.900000112.3R506 Q507 E514 W515 L517 L520R506-A510 VanDerWaalsContact O-CB 3.3Å; R506-A510 WeakPolarHBondContact O-CB 3.34Å; R506-A510 PolarHBondContact O-N 3.43Å; Q507-A510 PolarHBondContact O-N 3.46Å; A510-E514 CarbonylContact O-C 3.53Å; A510-E514 VanDerWaalsContact O-CA 3.27Å; A510-E514 WeakPolarHBondContact O-CA 3.29Å; A510-E514 PolarHBondContact O-N 3.11Å; A510-W515 WeakPolarHBondContact CB-O 3.46Å; A510-W515 PolarHBondContact O-N 2.91Å; A510-L517 HydrophobicContact CB-CD2 3.71Å; A510-L517 HydrophobicContact CB-CG 4.26Å; A510-L520 HydrophobicContact CB-CD1 3.82Å
511Q91Very high90.7Very high113 Ų11358.7 Ų58.753%0.52828%0.284SS..Hα-helixtrans-70.5-37.2178.3-73.1178.1-2.100112.9P390 Q507 F508 V509P390-Q511 VanDerWaalsContact CD-OE1 3.22Å; Q507-Q511 WeakPolarHBondContact O-CB 3.32Å; Q507-Q511 VanDerWaalsContact O-CG 3.26Å; Q507-Q511 WeakPolarHBondContact O-CG 3.48Å; Q507-Q511 PolarHBondContact O-N 3.45Å; F508-Q511 PolarHBondContact O-N 2.99Å; V509-Q511 VanDerWaalsContact C-N 3.34Å; V509-Q511 PolarHBondContact O-N 3.43Å
512M88.4Confident90.5Very high73 Ų7359.6 Ų59.636%0.3629%0.289SS..Hα-helixtrans-67.7-38.2-178.5-174.8-178.278.100112.3F508 V509 D537F508-M512 HydrophobicContact CE1-SD 3.85Å; F508-M512 HydrophobicContact CZ-SD 4.27Å; F508-M512 VanDerWaalsContact O-CB 3.29Å; F508-M512 WeakPolarHBondContact O-CB 3.34Å; F508-M512 PolarHBondContact O-N 3.18Å; V509-M512 PolarHBondContact O-N 2.94Å; M512-D537 HydrophobicContact CE-CB 3.67Å; M512-D537 HydrophobicContact SD-CB 3.79Å
513N89.7Confident90.3Very high52 Ų5261.3 Ų61.328%0.27830%0.298SS..Hα-helixtrans-104.94.3-177.3-61-40.2000113.8V509 W515 C538V509-N513 PolarHBondContact O-N 3.04Å; V509-N513 VanDerWaalsContact O-N 3.07Å; N513-W515 HydrophobicContact CB-CD2 3.39Å; N513-W515 HydrophobicContact CB-CE3 3.74Å; N513-W515 HydrophobicContact CB-CG 3.83Å; N513-W515 HydrophobicContact CB-CH2 4.07Å; N513-W515 HydrophobicContact CB-CZ2 3.7Å; N513-W515 HydrophobicContact CB-CZ3 4.09Å; N513-W515 WeakPolarHBondContact ND2-CH2 2.98Å; N513-W515 WeakPolarHBondContact ND2-CZ3 3.18Å; N513-W515 PolarHBondContact O-N 3.3Å; N513-W515 PolarHBondContact O-NE1 2.92Å; N513-C538 PolarHBondContact ND2-SG 2.89Å
514E88.9Confident90.2Very high181 Ų18158.4 Ų58.485%0.84628%0.28SS*.THydrogen-bonded Turntrans55.332.8-175-56.5-176.1169.100114A510A510-E514 CarbonylContact O-C 3.53Å; A510-E514 VanDerWaalsContact O-CA 3.27Å; A510-E514 WeakPolarHBondContact O-CA 3.29Å; A510-E514 PolarHBondContact O-N 3.11Å
515W91.4Very high90Very high78 Ų7859.5 Ų59.530%0.29529%0.288SS..  trans-89.6151.2178.8-61.3-22.4000112V509 A510 N513 L520 H577V509-W515 HydrophobicContact CG1-CE3 4.07Å; V509-W515 HydrophobicContact CG1-CZ3 3.89Å; A510-W515 WeakPolarHBondContact CB-O 3.46Å; A510-W515 PolarHBondContact O-N 2.91Å; N513-W515 HydrophobicContact CB-CD2 3.39Å; N513-W515 HydrophobicContact CB-CE3 3.74Å; N513-W515 HydrophobicContact CB-CG 3.83Å; N513-W515 HydrophobicContact CB-CH2 4.07Å; N513-W515 HydrophobicContact CB-CZ2 3.7Å; N513-W515 HydrophobicContact CB-CZ3 4.09Å; N513-W515 WeakPolarHBondContact ND2-CH2 2.98Å; N513-W515 WeakPolarHBondContact ND2-CZ3 3.18Å; N513-W515 PolarHBondContact O-N 3.3Å; N513-W515 PolarHBondContact O-NE1 2.92Å; W515-L520 HydrophobicContact CE3-CD2 3.48Å; W515-L520 VanDerWaalsContact CE3-CD2 3.48Å; W515-L520 HydrophobicContact CE3-CG 4.5Å; W515-L520 HydrophobicContact CZ3-CD2 3.93Å; W515-H577 HydrophobicContact CD2-CB 4.25Å; W515-H577 HydrophobicContact CE3-CB 4.29Å; W515-H577 AromaticContact CG-CD2 3.85Å; W515-H577 HydrophobicContact CH2-CB 4.3Å; W515-H577 HydrophobicContact CZ2-CB 4.3Å; W515-H577 HydrophobicContact CZ3-CB 4.3Å
516S90.1Very high89.8Confident52 Ų5259.9 Ų59.936%0.36429%0.289SS..  trans-65.1141169.1178.90000110.1E518 E519S516-E518 PolarHBondContact O-N 3.37Å; S516-E518 PolarHBondContact OG-N 3.32Å; S516-E519 PolarHBondContact O-N 3.24Å
517L87Confident89.4Confident77 Ų7756.7 Ų56.740%0.40328%0.28SS..G310 helixtrans-56-40.1174.6-74.1168.5000110.9R506 Q507 A510 E519 L520R506-L517 HydrophobicContact CG-CD2 3.93Å; R506-L517 PolarHBondContact NE-O 2.68Å; R506-L517 PolarHBondContact NH2-O 2.8Å; Q507-L517 HydrophobicContact CG-CD2 4.08Å; A510-L517 HydrophobicContact CB-CD2 3.71Å; A510-L517 HydrophobicContact CB-CG 4.26Å; L517-E519 VanDerWaalsContact C-N 3.27Å; L517-E519 PolarHBondContact O-N 3.19Å; L517-L520 WeakPolarHBondContact O-CB 3.17Å; L517-L520 PolarHBondContact O-N 3.27Å
518E85.7Confident89Confident164 Ų16458.9 Ų58.977%0.76630%0.299SS*.G310 helixtrans-67.4-27.3-174.9-63.9-176.4172.300113.1S516 L520S516-E518 PolarHBondContact O-N 3.37Å; S516-E518 PolarHBondContact OG-N 3.32Å; E518-L520 PolarHBondContact O-N 3.38Å
519E86.6Confident88.6Confident82 Ų8259.1 Ų59.138%0.38331%0.306SS..G310 helixtrans-855.3-178.8-60.8172.1158.500112.8S516 L517 H577 E578S516-E519 PolarHBondContact O-N 3.24Å; L517-E519 VanDerWaalsContact C-N 3.27Å; L517-E519 PolarHBondContact O-N 3.19Å; E519-H577 WeakPolarHBondContact CB-NE2 3.23Å; E519-H577 CarbonylContact O-C 3.6Å; E519-H577 WeakPolarHBondContact O-CA 3.32Å; E519-H577 IonicContact OE2-CD2 3.7Å; E519-H577 IonicContact OE2-CE1 2.68Å; E519-H577 IonicContact OE2-NE2 3.51Å; E519-H577 PolarHBondContact OE2-NE2 2.83Å; E519-E578 WeakPolarHBondContact O-CB 3.41Å; E519-E578 PolarHBondContact O-N 3.2Å
520L89.7Confident88.2Confident10 Ų1060.8 Ų60.85%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-97125.1179.6-77.8175.1000111.9R506 V509 A510 W515 L517 E518 W575 V576R506-L520 HydrophobicContact CG-CB 4.31Å; R506-L520 HydrophobicContact CG-CD1 3.84Å; V509-L520 HydrophobicContact CG1-CD2 4.23Å; A510-L520 HydrophobicContact CB-CD1 3.82Å; W515-L520 HydrophobicContact CE3-CD2 3.48Å; W515-L520 VanDerWaalsContact CE3-CD2 3.48Å; W515-L520 HydrophobicContact CE3-CG 4.5Å; W515-L520 HydrophobicContact CZ3-CD2 3.93Å; L517-L520 WeakPolarHBondContact O-CB 3.17Å; L517-L520 PolarHBondContact O-N 3.27Å; E518-L520 PolarHBondContact O-N 3.38Å; L520-W575 HydrophobicContact CB-CE3 3.91Å; L520-W575 HydrophobicContact CB-CZ3 4.39Å; L520-W575 HydrophobicContact CD2-CB 4.12Å; L520-V576 WeakPolarHBondContact CA-O 3.35Å
521K88.9Confident87.8Confident65 Ų6568 Ų6828%0.28335%0.351SS..EExtended strand (participates in β ladder)trans-110.6140.8171-170175.9-179-171.30110.7W575 V576 T581 D607K521-W575 WeakPolarHBondContact O-CA 3.44Å; K521-V576 HydrophobicContact CB-CG2 4.23Å; K521-V576 PolarHBondContact N-O 2.79Å; K521-V576 WeakPolarHBondContact O-CG2 3.49Å; K521-V576 PolarHBondContact O-N 3.26Å; K521-T581 HydrophobicContact CB-CG2 4.29Å; K521-T581 HydrophobicContact CD-CG2 4.11Å; K521-D607 WeakPolarHBondContact CE-OD2 3.35Å; K521-D607 IonicContact NZ-OD2 2.99Å; K521-D607 PolarHBondContact NZ-OD2 3.39Å
522L91.1Very high87.3Confident21 Ų2166.5 Ų66.511%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-90.7123.2176-170.665.5000110.4L502 L573 W575 F604 L606L502-L522 HydrophobicContact CD1-CD2 4.42Å; L502-L522 HydrophobicContact CD2-CD2 4.42Å; L522-L573 HydrophobicContact CD1-CB 3.91Å; L522-L573 HydrophobicContact CD2-CD2 4.44Å; L522-W575 HydrophobicContact CB-CD2 4.46Å; L522-W575 HydrophobicContact CB-CE3 3.98Å; L522-W575 HydrophobicContact CB-CH2 3.98Å; L522-W575 HydrophobicContact CB-CZ2 4.43Å; L522-W575 HydrophobicContact CB-CZ3 3.74Å; L522-W575 HydrophobicContact CD1-CD2 3.82Å; L522-W575 HydrophobicContact CD1-CE3 4.21Å; L522-W575 HydrophobicContact CD1-CG 4.23Å; L522-W575 HydrophobicContact CD1-CH2 4.35Å; L522-W575 HydrophobicContact CD1-CZ2 3.95Å; L522-W575 HydrophobicContact CD1-CZ3 4.48Å; L522-W575 HydrophobicContact CD2-CH2 4.49Å; L522-W575 HydrophobicContact CD2-CZ2 4.43Å; L522-F604 HydrophobicContact CD2-CD2 4.46Å; L522-L606 HydrophobicContact CD2-CD2 3.55Å; L522-L606 HydrophobicContact CG-CD2 4.04Å
523I89.2Confident87.1Confident52 Ų5263.9 Ų63.927%0.26734%0.34SS..EExtended strand (participates in β ladder)trans-108.2141.3173.6-67.4-177.7000109.1R574 V576 T581I523-R574 PolarHBondContact N-O 3.16Å; I523-R574 PolarHBondContact O-N 3.06Å; I523-V576 HydrophobicContact CD1-CB 4.31Å; I523-V576 HydrophobicContact CD1-CG1 3.94Å; I523-V576 HydrophobicContact CD1-CG2 3.44Å; I523-V576 VanDerWaalsContact CD1-CG2 3.44Å; I523-V576 HydrophobicContact CG1-CG2 3.77Å; I523-T581 HydrophobicContact CD1-CG2 4.37Å
524V90.4Very high86.7Confident12 Ų1269.5 Ų69.57%0.07337%0.365CS..EExtended strand (participates in β ladder)trans-109.1134.8173.761.10000111.1V571 Q572 L573 L606 D607 F608V524-V571 HydrophobicContact CG2-CG1 3.63Å; V524-Q572 WeakPolarHBondContact CA-O 3.17Å; V524-L573 HydrophobicContact CB-CD2 4.31Å; V524-L573 HydrophobicContact CG2-CD2 4.23Å; V524-L606 HydrophobicContact CB-CB 4.38Å; V524-L606 HydrophobicContact CB-CD1 4.1Å; V524-L606 HydrophobicContact CB-CD2 4.26Å; V524-L606 HydrophobicContact CB-CG 4.49Å; V524-L606 HydrophobicContact CG1-CB 3.95Å; V524-L606 HydrophobicContact CG1-CD1 4.41Å; V524-L606 HydrophobicContact CG2-CD1 4.08Å; V524-D607 VanDerWaalsContact CG1-O 3.22Å; V524-D607 WeakPolarHBondContact CG1-O 3.14Å; V524-F608 HydrophobicContact CG1-CD1 3.91Å; V524-F608 HydrophobicContact CG1-CD2 4.4Å; V524-F608 HydrophobicContact CG1-CE1 3.94Å; V524-F608 HydrophobicContact CG1-CE2 4.45Å; V524-F608 HydrophobicContact CG1-CG 4.15Å; V524-F608 HydrophobicContact CG1-CZ 4.21Å; V524-F608 HydrophobicContact CG2-CE1 4.07Å; V524-F608 HydrophobicContact CG2-CZ 4.41Å
525S88.5Confident86.4Confident29 Ų2963.4 Ų63.420%0.20334%0.337CS..EExtended strand (participates in β ladder)trans-126.6150.2164.6-680000108.3V571 Q572S525-V571 CarbonylContact O-C 3.5Å; S525-Q572 PolarHBondContact N-O 2.78Å; S525-Q572 PolarHBondContact O-N 3.23Å
526F87.4Confident86.2Confident10 Ų1062 Ų624%0.04434%0.335CS..EExtended strand (participates in β ladder)trans-140.3147.2178.454.3-94.1000110.1C552 N556 L558 A570 V571 F608F526-C552 HydrophobicContact CD2-CB 3.94Å; F526-C552 HydrophobicContact CE2-CB 3.45Å; F526-C552 VanDerWaalsContact CE2-CB 3.45Å; F526-C552 VanDerWaalsContact CE2-SG 3.51Å; F526-C552 HydrophobicContact CZ-CB 4.31Å; F526-N556 HydrophobicContact CE1-CB 4.38Å; F526-N556 WeakPolarHBondContact CE1-O 3.47Å; F526-N556 HydrophobicContact CE2-CB 4.45Å; F526-N556 HydrophobicContact CZ-CB 4.26Å; F526-N556 WeakPolarHBondContact CZ-O 3.26Å; F526-N556 VanDerWaalsContact O-CG 3.3Å; F526-N556 PolarHBondContact O-OD1 2.87Å; F526-L558 HydrophobicContact CE1-CD2 4.17Å; F526-L558 HydrophobicContact CZ-CD2 3.92Å; F526-L558 HydrophobicContact CZ-CG 4.48Å; F526-A570 CarbonylContact C-O 3.46Å; F526-A570 VanDerWaalsContact CA-O 3.22Å; F526-A570 WeakPolarHBondContact CA-O 3.23Å; F526-V571 HydrophobicContact CB-CG2 4.29Å; F526-F608 HydrophobicContact CD1-CD1 4.17Å; F526-F608 HydrophobicContact CD1-CE1 4.2Å; F526-F608 AromaticContact CE1-CD1 3.86Å; F526-F608 HydrophobicContact CE1-CD1 3.86Å; F526-F608 HydrophobicContact CE1-CE1 4.32Å
527A85.7Confident85.9Confident15 Ų1563.5 Ų63.512%0.12434%0.339CS..EExtended strand (participates in β ladder)trans-145.8166.517900000111.1S529 L533 A570A527-S529 WeakPolarHBondContact CB-O 3.46Å; A527-S529 PolarHBondContact O-N 2.96Å; A527-L533 HydrophobicContact CB-CD1 4.02Å; A527-L533 HydrophobicContact CB-CD2 3.78Å; A527-L533 HydrophobicContact CB-CG 3.64Å; A527-A570 PolarHBondContact N-O 3.27Å; A527-A570 WeakPolarHBondContact O-CB 3.32Å; A527-A570 PolarHBondContact O-N 2.9Å
528P83.5Confident86Confident105 Ų10560.2 Ų60.268%0.68232%0.323SS*.SBendtrans-62-27.3174.3-23.334.5000113.7K569P528-K569 WeakPolarHBondContact O-CB 3.23Å; P528-K569 WeakPolarHBondContact O-CD 3.48Å
529S84.2Confident86.2Confident43 Ų4352.4 Ų52.430%0.30129%0.286SS..SBendtrans-147.1154.9179.674.30000110.7A527 D531 S532 A570A527-S529 WeakPolarHBondContact CB-O 3.46Å; A527-S529 PolarHBondContact O-N 2.96Å; S529-D531 PolarHBondContact O-N 3.48Å; S529-S532 PolarHBondContact O-N 3.49Å; S529-S532 PolarHBondContact OG-OG 3.06Å; S529-A570 VanDerWaalsContact C-CB 3.5Å
530F83Confident86.4Confident35 Ų3548.6 Ų48.615%0.15427%0.268CS..G310 helixtrans-66.3-23.6176.1-75.6-76.5000113.1N488 Q489 S532 L533 I543 A570N488-F530 VanDerWaalsContact O-CE1 3.23Å; N488-F530 WeakPolarHBondContact O-CE1 3.46Å; N488-F530 WeakPolarHBondContact O-CZ 3.47Å; Q489-F530 HydrophobicContact CG-CD2 4.18Å; Q489-F530 HydrophobicContact CG-CE2 3.97Å; Q489-F530 HydrophobicContact CG-CZ 4.41Å; F530-S532 PolarHBondContact O-N 2.77Å; F530-L533 HydrophobicContact CD1-CD1 4.13Å; F530-L533 PolarHBondContact O-N 2.92Å; F530-I543 HydrophobicContact CE2-CG2 3.41Å; F530-I543 VanDerWaalsContact CE2-CG2 3.41Å; F530-I543 HydrophobicContact CZ-CG2 3.54Å; F530-A570 HydrophobicContact CB-CB 4.42Å; F530-A570 HydrophobicContact CD1-CB 3.79Å; F530-A570 HydrophobicContact CD2-CB 3.68Å; F530-A570 HydrophobicContact CE1-CB 3.83Å; F530-A570 HydrophobicContact CE2-CB 3.73Å; F530-A570 HydrophobicContact CG-CB 3.7Å; F530-A570 HydrophobicContact CZ-CB 3.82Å
531D83.1Confident86.5Confident159 Ų15948.1 Ų48.185%0.8527%0.266SS*.G310 helixtrans-66.3-20.1178.6-57.5-32.9000112.5S529S529-D531 PolarHBondContact O-N 3.48Å
532S81.7Confident86.7Confident82 Ų8245 Ų4557%0.57325%0.252SS*.G310 helixtrans-901.6176.5-46.80000113.3S529 F530S529-S532 PolarHBondContact O-N 3.49Å; S529-S532 PolarHBondContact OG-OG 3.06Å; F530-S532 PolarHBondContact O-N 2.77Å
533L82.6Confident86.7Confident18 Ų1846.6 Ų46.69%0.09426%0.26CS..SBendtrans-110.9131-178.5-68166.5000110.5A527 F530 M535 A570 Q572A527-L533 HydrophobicContact CB-CD1 4.02Å; A527-L533 HydrophobicContact CB-CD2 3.78Å; A527-L533 HydrophobicContact CB-CG 3.64Å; F530-L533 HydrophobicContact CD1-CD1 4.13Å; F530-L533 PolarHBondContact O-N 2.92Å; L533-M535 HydrophobicContact CB-SD 4.46Å; L533-M535 PolarHBondContact O-N 3.1Å; L533-M535 VanDerWaalsContact O-N 3.09Å; L533-A570 HydrophobicContact CD1-CB 3.88Å; L533-Q572 HydrophobicContact CD1-CB 4.09Å; L533-Q572 HydrophobicContact CD2-CB 4.37Å
534E82.4Confident86.8Confident169 Ų16945.4 Ų45.479%0.7926%0.26SS*.  trans-77.793.8174.7-67.2-176.4175.900110.5Q572E534-Q572 PolarHBondContact O-NE2 3.35Å
535M83.4Confident86.9Confident53 Ų5344.9 Ų44.926%0.26126%0.257SS..  trans-84.9113.3179.9-63.4-62.6-69.800111.2N488 L533 G541 Q572N488-M535 HydrophobicContact CB-CE 4.46Å; N488-M535 WeakPolarHBondContact OD1-CE 3.24Å; L533-M535 HydrophobicContact CB-SD 4.46Å; L533-M535 PolarHBondContact O-N 3.1Å; L533-M535 VanDerWaalsContact O-N 3.09Å; M535-G541 VanDerWaalsContact CE-N 3.34Å; M535-Q572 HydrophobicContact SD-CB 4.19Å; M535-Q572 HydrophobicContact SD-CG 3.88Å
536D85.5Confident86.9Confident50 Ų5045.7 Ų45.727%0.26726%0.257SS..  trans-104.2-179.2171.879.4-22.8000112.2C538 S539 R574D536-C538 PolarHBondContact O-N 2.84Å; D536-C538 PolarHBondContact OD1-N 2.73Å; D536-C538 VanDerWaalsContact OD1-N 3.16Å; D536-S539 WeakPolarHBondContact O-CB 3.17Å; D536-S539 PolarHBondContact O-N 3.36Å; D536-S539 VanDerWaalsContact OD1-CB 3.25Å; D536-S539 WeakPolarHBondContact OD1-CB 3.22Å; D536-S539 PolarHBondContact OD1-N 3.31Å; D536-S539 PolarHBondContact OD1-OG 3.3Å; D536-R574 VanDerWaalsContact CG-CZ 3.43Å; D536-R574 IonicContact OD1-CZ 3.72Å; D536-R574 IonicContact OD1-NH1 3.71Å; D536-R574 PolarHBondContact OD1-NH1 3.22Å; D536-R574 IonicContact OD2-CZ 3.78Å; D536-R574 IonicContact OD2-NE 2.76Å; D536-R574 IonicContact OD2-NH1 3.35Å; D536-R574 PolarHBondContact OD2-NH1 2.78Å; D536-R574 IonicContact OD2-NH2 3.67Å; D536-R574 PolarHBondContact OD2-NH2 3.15Å
537D85.3Confident87Confident82 Ų8245.2 Ų45.244%0.43926%0.255SS..THydrogen-bonded Turntrans-66.2-18-179.4-89-44.3000114.1K487 M512K487-D537 PolarHBondContact NZ-O 2.96Å; K487-D537 IonicContact NZ-OD1 2.71Å; K487-D537 PolarHBondContact NZ-OD1 3.18Å; M512-D537 HydrophobicContact CE-CB 3.67Å; M512-D537 HydrophobicContact SD-CB 3.79Å
538C88.4Confident86.7Confident9 Ų945 Ų456%0.06125%0.252CS..THydrogen-bonded Turntrans-91.7-1.3175.7-56.50000113.5V509 N513 D536 W575V509-C538 HydrophobicContact CG1-CB 4.17Å; V509-C538 HydrophobicContact CG2-CB 4.26Å; N513-C538 PolarHBondContact ND2-SG 2.89Å; D536-C538 PolarHBondContact O-N 2.84Å; D536-C538 PolarHBondContact OD1-N 2.73Å; D536-C538 VanDerWaalsContact OD1-N 3.16Å; C538-W575 PolarHBondContact O-N 3.18Å; C538-W575 VanDerWaalsContact O-N 3.15Å
539S89.7Confident86.4Confident0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-102.7142.5-175.6-66.30000112.7D536 Q572 L573D536-S539 WeakPolarHBondContact O-CB 3.17Å; D536-S539 PolarHBondContact O-N 3.36Å; D536-S539 VanDerWaalsContact OD1-CB 3.25Å; D536-S539 WeakPolarHBondContact OD1-CB 3.22Å; D536-S539 PolarHBondContact OD1-N 3.31Å; D536-S539 PolarHBondContact OD1-OG 3.3Å; S539-Q572 PolarHBondContact OG-NE2 3.2Å; S539-L573 CarbonylContact C-O 3.6Å
540F91.7Very high86.3Confident1 Ų138.1 Ų38.10%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-131.7118.4179.4-59.2-91000109.5M391 K487 T505 F508 V509 L573 W575M391-F540 HydrophobicContact CE-CE1 4.25Å; M391-F540 HydrophobicContact SD-CE1 4.27Å; K487-F540 HydrophobicContact CB-CD1 4.39Å; K487-F540 HydrophobicContact CD-CE1 4.4Å; K487-F540 HydrophobicContact CG-CD1 4.28Å; K487-F540 HydrophobicContact CG-CE1 4.21Å; K487-F540 CarbonylContact O-C 3.54Å; K487-F540 VanDerWaalsContact O-CA 3.3Å; K487-F540 WeakPolarHBondContact O-CA 3.44Å; T505-F540 HydrophobicContact CG2-CD1 3.51Å; T505-F540 HydrophobicContact CG2-CD2 4.07Å; T505-F540 HydrophobicContact CG2-CE1 3.53Å; T505-F540 HydrophobicContact CG2-CE2 4.12Å; T505-F540 HydrophobicContact CG2-CG 3.79Å; T505-F540 HydrophobicContact CG2-CZ 3.84Å; F508-F540 AromaticContact CD1-CZ 3.91Å; F508-F540 HydrophobicContact CD1-CZ 3.91Å; V509-F540 HydrophobicContact CG2-CE2 3.74Å; V509-F540 HydrophobicContact CG2-CZ 4.07Å; F540-L573 HydrophobicContact CB-CB 4.48Å; F540-L573 PolarHBondContact N-O 2.96Å; F540-L573 PolarHBondContact O-N 2.87Å; F540-W575 AromaticContact CE2-CD1 3.8Å
541G91.4Very high86.3Confident0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-84.3131.7177.600000111.9K487 N488 Q489 I490 M535 V571K487-G541 PolarHBondContact O-N 3.33Å; N488-G541 CarbonylContact C-O 3.51Å; N488-G541 CarbonylContact O-C 3.59Å; N488-G541 WeakPolarHBondContact O-CA 3.21Å; Q489-G541 PolarHBondContact N-O 3.46Å; I490-G541 PolarHBondContact N-O 3.06Å; M535-G541 VanDerWaalsContact CE-N 3.34Å; G541-V571 CarbonylContact C-O 3.15Å; G541-V571 WeakPolarHBondContact CA-O 3.22Å
542V92.5Very high85.9Confident0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-127.7138.5-173.1177.50000109.3I490 I492 L545 V571 L573I490-V542 VanDerWaalsContact O-CA 3.29Å; I490-V542 WeakPolarHBondContact O-CA 3.24Å; I490-V542 WeakPolarHBondContact O-CG1 3.3Å; I492-V542 HydrophobicContact CB-CG1 4.33Å; I492-V542 HydrophobicContact CD1-CB 4.34Å; I492-V542 HydrophobicContact CD1-CG1 3.68Å; I492-V542 HydrophobicContact CD1-CG2 3.65Å; I492-V542 HydrophobicContact CG1-CG1 3.76Å; I492-V542 HydrophobicContact CG1-CG2 4.11Å; V542-L545 HydrophobicContact CG1-CD1 3.8Å; V542-L545 HydrophobicContact CG1-CD2 4.15Å; V542-L545 HydrophobicContact CG1-CG 3.83Å; V542-V571 HydrophobicContact CB-CB 4.38Å; V542-V571 PolarHBondContact N-O 2.83Å; V542-V571 PolarHBondContact O-N 2.86Å; V542-V571 VanDerWaalsContact O-N 3.12Å; V542-L573 HydrophobicContact CG2-CD1 3.7Å; V542-L573 HydrophobicContact CG2-CG 3.93Å
543I92.2Very high85.5Confident55 Ų5530.3 Ų30.328%0.28217%0.168SC..EExtended strand (participates in β ladder)trans-122.6168.1178.560169.8000111.5I490 W491 F530 L545I490-I543 PolarHBondContact O-N 3.41Å; I490-I543 VanDerWaalsContact O-N 3.07Å; W491-I543 HydrophobicContact CB-CD1 4.36Å; W491-I543 HydrophobicContact CB-CG1 3.93Å; F530-I543 HydrophobicContact CE2-CG2 3.41Å; F530-I543 VanDerWaalsContact CE2-CG2 3.41Å; F530-I543 HydrophobicContact CZ-CG2 3.54Å; I543-L545 VanDerWaalsContact C-N 3.28Å; I543-L545 PolarHBondContact O-N 3.2Å
544G89.7Confident84.7Confident26 Ų2634 Ų3427%0.26820%0.201SC..  trans74.814174.500000114.5C629G544-C629 VanDerWaalsContact O-O 3.13Å
545L92.2Very high84.1Confident1 Ų132.1 Ų32.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-81.6132173.1-58.9-174.4000109.7V542 I543 L568 V571 V627 V628 C629V542-L545 HydrophobicContact CG1-CD1 3.8Å; V542-L545 HydrophobicContact CG1-CD2 4.15Å; V542-L545 HydrophobicContact CG1-CG 3.83Å; I543-L545 VanDerWaalsContact C-N 3.28Å; I543-L545 PolarHBondContact O-N 3.2Å; L545-L568 HydrophobicContact CB-CB 4.2Å; L545-L568 HydrophobicContact CB-CD1 4.14Å; L545-L568 WeakPolarHBondContact O-CB 3.4Å; L545-L568 PolarHBondContact O-N 2.81Å; L545-V571 HydrophobicContact CB-CG2 4.49Å; L545-V571 HydrophobicContact CD1-CB 4.11Å; L545-V571 HydrophobicContact CD1-CG1 4.01Å; L545-V571 HydrophobicContact CD1-CG2 4Å; L545-V627 HydrophobicContact CB-CG1 4.04Å; L545-V627 HydrophobicContact CD1-CG1 4.39Å; L545-V627 HydrophobicContact CD2-CG1 4.37Å; L545-V627 HydrophobicContact CG-CG1 4.5Å; L545-V628 WeakPolarHBondContact CA-O 3.46Å; L545-C629 HydrophobicContact CD2-CB 3.99Å; L545-C629 WeakPolarHBondContact CD2-SG 3.49Å
546K90.4Very high83.7Confident46 Ų4631.6 Ų31.620%0.220%0.195CC..EExtended strand (participates in β ladder)trans-117.9144.1169.7-59.6-167.9-171.9178.10109.8W565 T566 V627 V628 T631 E634K546-W565 HydrophobicContact CB-CD2 4.49Å; K546-W565 HydrophobicContact CB-CE3 3.63Å; K546-W565 HydrophobicContact CB-CZ3 4.05Å; K546-T566 CarbonylContact C-O 3.41Å; K546-T566 WeakPolarHBondContact CA-O 3.4Å; K546-V627 CarbonylContact O-C 3.54Å; K546-V627 WeakPolarHBondContact O-CA 3.44Å; K546-V628 PolarHBondContact N-O 3.36Å; K546-V628 PolarHBondContact O-N 3.49Å; K546-T631 HydrophobicContact CD-CG2 3.53Å; K546-T631 HydrophobicContact CG-CG2 4.24Å; K546-E634 IonicContact NZ-OE1 3.59Å; K546-E634 PolarHBondContact NZ-OE1 3.01Å
547I88.8Confident83.6Confident0 Ų030.3 Ų30.30%019%0.189CC..EExtended strand (participates in β ladder)trans-120142176.6-163.5168.3000109.8V550 L558 T566 L568 L591 V625 V627I547-V550 HydrophobicContact CB-CG2 4.01Å; I547-V550 HydrophobicContact CD1-CG2 3.45Å; I547-V550 VanDerWaalsContact CD1-CG2 3.45Å; I547-V550 HydrophobicContact CG1-CG2 3.45Å; I547-V550 VanDerWaalsContact CG1-CG2 3.45Å; I547-V550 HydrophobicContact CG2-CG2 3.45Å; I547-V550 VanDerWaalsContact CG2-CG2 3.45Å; I547-L558 HydrophobicContact CD1-CD1 3.86Å; I547-L558 HydrophobicContact CD1-CD2 4.14Å; I547-T566 HydrophobicContact CG2-CG2 4.48Å; I547-T566 PolarHBondContact N-O 2.96Å; I547-T566 PolarHBondContact O-N 3.43Å; I547-L568 HydrophobicContact CB-CD1 4.36Å; I547-L568 HydrophobicContact CB-CG 4.49Å; I547-L568 HydrophobicContact CG2-CD1 4.5Å; I547-L568 HydrophobicContact CG2-CD2 3.97Å; I547-L568 HydrophobicContact CG2-CG 4.19Å; I547-L591 HydrophobicContact CD1-CD1 4.09Å; I547-V625 HydrophobicContact CD1-CG1 4.12Å; I547-V625 HydrophobicContact CG1-CG1 4.04Å; I547-V627 HydrophobicContact CB-CG2 4.35Å; I547-V627 HydrophobicContact CD1-CG2 3.85Å; I547-V627 HydrophobicContact CG1-CG2 3.95Å
548M79.9Confident83.5Confident12 Ų1226.4 Ų26.46%0.05917%0.169CC..EExtended strand (participates in β ladder)trans-97138.5-175.3-176.7-177.6-70.900112I186 V550 I564 W565 R599 A626I186-M548 HydrophobicContact CD1-CE 4.2Å; I186-M548 HydrophobicContact CD1-SD 3.89Å; I186-M548 HydrophobicContact CG1-CE 4.17Å; I186-M548 HydrophobicContact CG1-SD 3.8Å; I186-M548 HydrophobicContact CG2-SD 4.18Å; M548-V550 VanDerWaalsContact C-N 3.25Å; M548-V550 PolarHBondContact O-N 3.42Å; M548-I564 VanDerWaalsContact CA-O 3.3Å; M548-I564 WeakPolarHBondContact CA-O 3.29Å; M548-I564 VanDerWaalsContact CG-O 3.28Å; M548-I564 WeakPolarHBondContact CG-O 3.23Å; M548-W565 HydrophobicContact CB-CE3 4.23Å; M548-W565 HydrophobicContact CB-CH2 4.5Å; M548-W565 HydrophobicContact CB-CZ3 4.09Å; M548-W565 HydrophobicContact CE-CH2 3.61Å; M548-W565 HydrophobicContact CE-CZ2 3.45Å; M548-W565 VanDerWaalsContact CE-CZ2 3.45Å; M548-W565 HydrophobicContact CE-CZ3 4.31Å; M548-R599 PolarHBondContact SD-NH2 2.83Å; M548-R599 VanDerWaalsContact SD-NH2 3.39Å; M548-A626 PolarHBondContact N-O 3.35Å
549G76.5Confident83.2Confident3 Ų329.2 Ų29.23%0.03118%0.18CC..EExtended strand (participates in β ladder)trans71.412.4166.900000116.1S561 D563 I564G549-S561 CarbonylContact C-O 3.33Å; G549-S561 PolarHBondContact O-N 3.11Å; G549-D563 VanDerWaalsContact CA-O 3.27Å; G549-D563 WeakPolarHBondContact CA-O 3.21Å; G549-D563 PolarHBondContact N-O 3.49Å; G549-I564 PolarHBondContact N-O 3.14Å
550V82.5Confident82.6Confident0 Ų030.9 Ų30.90%019%0.19CC..EExtended strand (participates in β ladder)trans-140.4149.5-176.7-59.10000110.8I547 M548 L558 K559 T566 F620 V625I547-V550 HydrophobicContact CB-CG2 4.01Å; I547-V550 HydrophobicContact CD1-CG2 3.45Å; I547-V550 VanDerWaalsContact CD1-CG2 3.45Å; I547-V550 HydrophobicContact CG1-CG2 3.45Å; I547-V550 VanDerWaalsContact CG1-CG2 3.45Å; I547-V550 HydrophobicContact CG2-CG2 3.45Å; I547-V550 VanDerWaalsContact CG2-CG2 3.45Å; M548-V550 VanDerWaalsContact C-N 3.25Å; M548-V550 PolarHBondContact O-N 3.42Å; V550-L558 HydrophobicContact CG2-CD2 4.22Å; V550-K559 CarbonylContact C-O 3.36Å; V550-K559 WeakPolarHBondContact CA-O 3.46Å; V550-K559 VanDerWaalsContact CB-O 3.3Å; V550-K559 WeakPolarHBondContact CB-O 3.29Å; V550-T566 VanDerWaalsContact O-CB 3.24Å; V550-T566 WeakPolarHBondContact O-CB 3.28Å; V550-T566 PolarHBondContact O-OG1 3.06Å; V550-F620 HydrophobicContact CG1-CD1 3.72Å; V550-F620 HydrophobicContact CG1-CE1 3.61Å; V550-V625 HydrophobicContact CG1-CB 4.36Å; V550-V625 HydrophobicContact CG1-CG1 3.73Å; V550-V625 HydrophobicContact CG1-CG2 3.65Å; V550-V625 HydrophobicContact CG2-CG1 4.24Å
551S81.7Confident82.1Confident37 Ų3731.2 Ų31.226%0.25919%0.193SC..EExtended strand (participates in β ladder)trans-109.3154168.959.60000110K559S551-K559 PolarHBondContact N-O 3.49Å; S551-K559 PolarHBondContact O-N 3.37Å
552C76.3Confident81.1Confident47 Ų4736.2 Ų36.232%0.31823%0.225SC..EExtended strand (participates in β ladder)trans-96.5122179-71.70000109.2F526 L568F526-C552 HydrophobicContact CD2-CB 3.94Å; F526-C552 HydrophobicContact CE2-CB 3.45Å; F526-C552 VanDerWaalsContact CE2-CB 3.45Å; F526-C552 VanDerWaalsContact CE2-SG 3.51Å; F526-C552 HydrophobicContact CZ-CB 4.31Å; C552-L568 WeakPolarHBondContact SG-CD2 3.24Å
553S73.2Confident80.3Confident28 Ų2840 Ų4020%0.19625%0.245CC..  trans-78159.2171.5-165.70000110.6N555 N556 C557 K559S553-N555 PolarHBondContact O-N 3.45Å; S553-N555 VanDerWaalsContact O-N 3.12Å; S553-N556 PolarHBondContact O-N 3.27Å; S553-C557 VanDerWaalsContact CB-O 3.26Å; S553-C557 WeakPolarHBondContact CB-O 3.17Å; S553-C557 PolarHBondContact N-O 2.97Å; S553-K559 WeakPolarHBondContact OG-CE 3.3Å; S553-K559 PolarHBondContact OG-NZ 2.74Å
554A66.2Low79.3Confident95 Ų9540.1 Ų40.179%0.78525%0.246SC*.THydrogen-bonded Turntrans-60-21.5177.700000113.9N556A554-N556 VanDerWaalsContact C-N 3.35Å; A554-N556 PolarHBondContact O-N 2.64Å
555N68.4Low78.9Confident129 Ų12941.6 Ų41.669%0.6924%0.243SC*.THydrogen-bonded Turntrans-93.223-178.1-63.4-4000113.7S553 C557S553-N555 PolarHBondContact O-N 3.45Å; S553-N555 VanDerWaalsContact O-N 3.12Å; N555-C557 PolarHBondContact O-N 3.3Å; N555-C557 VanDerWaalsContact O-N 3.15Å
556N75.9Confident78.6Confident43 Ų4342.9 Ų42.923%0.2325%0.251CS..SBendtrans58.523-174-59.41000114.1F526 S553 A554F526-N556 HydrophobicContact CE1-CB 4.38Å; F526-N556 WeakPolarHBondContact CE1-O 3.47Å; F526-N556 HydrophobicContact CE2-CB 4.45Å; F526-N556 HydrophobicContact CZ-CB 4.26Å; F526-N556 WeakPolarHBondContact CZ-O 3.26Å; F526-N556 VanDerWaalsContact O-CG 3.3Å; F526-N556 PolarHBondContact O-OD1 2.87Å; S553-N556 PolarHBondContact O-N 3.27Å; A554-N556 VanDerWaalsContact C-N 3.35Å; A554-N556 PolarHBondContact O-N 2.64Å
557C82.3Confident78.5Confident22 Ų2246.3 Ų46.315%0.14927%0.268CS..EExtended strand (participates in β ladder)trans-97.6137.2174.1-60.80000110.5S553 N555 K609S553-C557 VanDerWaalsContact CB-O 3.26Å; S553-C557 WeakPolarHBondContact CB-O 3.17Å; S553-C557 PolarHBondContact N-O 2.97Å; N555-C557 PolarHBondContact O-N 3.3Å; N555-C557 VanDerWaalsContact O-N 3.15Å; C557-K609 VanDerWaalsContact CA-O 3.32Å; C557-K609 WeakPolarHBondContact CA-O 3.44Å
558L84.1Confident78.5Confident1 Ų146.6 Ų46.61%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-76.4137.3169.1-64.2-178.1000110.2F526 I547 V550 L591 F608 K609 F620F526-L558 HydrophobicContact CE1-CD2 4.17Å; F526-L558 HydrophobicContact CZ-CD2 3.92Å; F526-L558 HydrophobicContact CZ-CG 4.48Å; I547-L558 HydrophobicContact CD1-CD1 3.86Å; I547-L558 HydrophobicContact CD1-CD2 4.14Å; V550-L558 HydrophobicContact CG2-CD2 4.22Å; L558-L591 HydrophobicContact CD1-CD1 3.55Å; L558-F608 HydrophobicContact CD1-CB 3.47Å; L558-F608 VanDerWaalsContact CD1-CB 3.47Å; L558-F608 HydrophobicContact CD1-CD1 3.79Å; L558-F608 HydrophobicContact CD1-CD2 4.26Å; L558-F608 HydrophobicContact CD1-CG 3.59Å; L558-F608 HydrophobicContact CD2-CD1 4.31Å; L558-F608 HydrophobicContact CG-CB 3.98Å; L558-F608 HydrophobicContact CG-CD1 4.11Å; L558-F608 HydrophobicContact CG-CG 4.27Å; L558-K609 PolarHBondContact N-O 3.29Å; L558-F620 HydrophobicContact CB-CE1 3.78Å; L558-F620 HydrophobicContact CB-CZ 4.03Å
559K81.6Confident78.8Confident67 Ų6752.5 Ų52.529%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-120.2142.6171-70.7-179.3177.6178.10109.1V550 S551 S553 S561 I614V550-K559 CarbonylContact C-O 3.36Å; V550-K559 WeakPolarHBondContact CA-O 3.46Å; V550-K559 VanDerWaalsContact CB-O 3.3Å; V550-K559 WeakPolarHBondContact CB-O 3.29Å; S551-K559 PolarHBondContact N-O 3.49Å; S551-K559 PolarHBondContact O-N 3.37Å; S553-K559 WeakPolarHBondContact OG-CE 3.3Å; S553-K559 PolarHBondContact OG-NZ 2.74Å; K559-S561 PolarHBondContact O-N 3.32Å; K559-I614 HydrophobicContact CD-CD1 4.46Å
560V78.3Confident79.3Confident35 Ų3552.4 Ų52.421%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-68.7126.3176.4173.20000109.7S615 F620 R623V560-S615 WeakPolarHBondContact CG2-OG 3.33Å; V560-F620 HydrophobicContact CG2-CD1 4.37Å; V560-F620 HydrophobicContact CG2-CE1 3.92Å; V560-F620 HydrophobicContact CG2-CE2 4.35Å; V560-F620 HydrophobicContact CG2-CZ 3.91Å; V560-R623 VanDerWaalsContact CG1-NH2 3.29Å
561S79.9Confident79.7Confident9 Ų952.5 Ų52.56%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-126.6152.8-175.9-176.70000111.9G549 K559 D563 R623G549-S561 CarbonylContact C-O 3.33Å; G549-S561 PolarHBondContact O-N 3.11Å; K559-S561 PolarHBondContact O-N 3.32Å; S561-D563 PolarHBondContact O-N 3.01Å; S561-D563 PolarHBondContact OG-N 3.45Å; S561-D563 VanDerWaalsContact OG-N 3.11Å; S561-D563 PolarHBondContact OG-OD2 2.85Å; S561-R623 PolarHBondContact O-NH1 3.43Å
562P71.7Confident80.2Confident104 Ų10451.2 Ų51.268%0.67528%0.284SS*.EExtended strand (participates in β ladder)trans-75.4-0.716533.3-38.3000113.9N314N314-P562 PolarHBondContact ND2-O 3.08Å
563D74.4Confident80.9Confident81 Ų8149.1 Ų49.143%0.43327%0.27SS..EExtended strand (participates in β ladder)trans-67.8140.2176.7-61.3-44.6000111.5G549 S561G549-D563 VanDerWaalsContact CA-O 3.27Å; G549-D563 WeakPolarHBondContact CA-O 3.21Å; G549-D563 PolarHBondContact N-O 3.49Å; S561-D563 PolarHBondContact O-N 3.01Å; S561-D563 PolarHBondContact OG-N 3.45Å; S561-D563 VanDerWaalsContact OG-N 3.11Å; S561-D563 PolarHBondContact OG-OD2 2.85Å
564I71Confident81.8Confident57 Ų5751.7 Ų51.729%0.29228%0.275SS..EExtended strand (participates in β ladder)trans-72.2-50.6178-59.7167.5000109.2N314 V318 M548 G549N314-I564 HydrophobicContact CB-CG1 4.11Å; N314-I564 WeakPolarHBondContact ND2-CA 3.11Å; N314-I564 WeakPolarHBondContact ND2-CG1 3.4Å; N314-I564 PolarHBondContact ND2-N 3.4Å; V318-I564 HydrophobicContact CG2-CB 4.5Å; V318-I564 HydrophobicContact CG2-CD1 3.77Å; V318-I564 HydrophobicContact CG2-CG1 3.98Å; V318-I564 HydrophobicContact CG2-CG2 3.65Å; M548-I564 VanDerWaalsContact CA-O 3.3Å; M548-I564 WeakPolarHBondContact CA-O 3.29Å; M548-I564 VanDerWaalsContact CG-O 3.28Å; M548-I564 WeakPolarHBondContact CG-O 3.23Å; G549-I564 PolarHBondContact N-O 3.14Å
565W81.6Confident83Confident56 Ų5648 Ų4821%0.21224%0.241CC..EExtended strand (participates in β ladder)trans-132.4135.1179.7-69.6108.7000110.4K546 M548 A597 V628K546-W565 HydrophobicContact CB-CD2 4.49Å; K546-W565 HydrophobicContact CB-CE3 3.63Å; K546-W565 HydrophobicContact CB-CZ3 4.05Å; M548-W565 HydrophobicContact CB-CE3 4.23Å; M548-W565 HydrophobicContact CB-CH2 4.5Å; M548-W565 HydrophobicContact CB-CZ3 4.09Å; M548-W565 HydrophobicContact CE-CH2 3.61Å; M548-W565 HydrophobicContact CE-CZ2 3.45Å; M548-W565 VanDerWaalsContact CE-CZ2 3.45Å; M548-W565 HydrophobicContact CE-CZ3 4.31Å; W565-A597 HydrophobicContact CH2-CB 4.17Å; W565-A597 HydrophobicContact CZ2-CB 4.03Å; W565-V628 HydrophobicContact CH2-CB 4.08Å; W565-V628 HydrophobicContact CH2-CG2 3.65Å; W565-V628 HydrophobicContact CZ3-CB 4.05Å; W565-V628 HydrophobicContact CZ3-CG2 3.94Å
566T86.5Confident84Confident28 Ų2842.4 Ų42.417%0.17221%0.211CC..EExtended strand (participates in β ladder)trans-116.5126.4168-61.80000108.3K546 I547 V550K546-T566 CarbonylContact C-O 3.41Å; K546-T566 WeakPolarHBondContact CA-O 3.4Å; I547-T566 HydrophobicContact CG2-CG2 4.48Å; I547-T566 PolarHBondContact N-O 2.96Å; I547-T566 PolarHBondContact O-N 3.43Å; V550-T566 VanDerWaalsContact O-CB 3.24Å; V550-T566 WeakPolarHBondContact O-CB 3.28Å; V550-T566 PolarHBondContact O-OG1 3.06Å
567E87.7Confident84.5Confident119 Ų11942.1 Ų42.156%0.55621%0.208SC*.EExtended strand (participates in β ladder)trans-80.2126.7175.7-174.4175.7-17100110.5K569E567-K569 PolarHBondContact O-N 3.06Å
568L88.2Confident84.3Confident6 Ų645.9 Ų45.93%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-89.393.1172.5-56.9178.2000108.4L545 I547 C552 A570 V571L545-L568 HydrophobicContact CB-CB 4.2Å; L545-L568 HydrophobicContact CB-CD1 4.14Å; L545-L568 WeakPolarHBondContact O-CB 3.4Å; L545-L568 PolarHBondContact O-N 2.81Å; I547-L568 HydrophobicContact CB-CD1 4.36Å; I547-L568 HydrophobicContact CB-CG 4.49Å; I547-L568 HydrophobicContact CG2-CD1 4.5Å; I547-L568 HydrophobicContact CG2-CD2 3.97Å; I547-L568 HydrophobicContact CG2-CG 4.19Å; C552-L568 WeakPolarHBondContact SG-CD2 3.24Å; L568-A570 PolarHBondContact O-N 3.43Å; L568-V571 HydrophobicContact CB-CG2 3.46Å; L568-V571 VanDerWaalsContact CB-CG2 3.46Å; L568-V571 HydrophobicContact CD1-CG2 4.05Å; L568-V571 HydrophobicContact CG-CG2 4.37Å
569K86.3Confident83.2Confident136 Ų13649.9 Ų49.959%0.59125%0.25SC*.SBendtrans-60-48.3-172.2-66.5-175.8177.6-177.40113.4P528 E567P528-K569 WeakPolarHBondContact O-CB 3.23Å; P528-K569 WeakPolarHBondContact O-CD 3.48Å; E567-K569 PolarHBondContact O-N 3.06Å
570A88Confident82.1Confident1 Ų152.7 Ų52.71%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-129.9118.1177.300000109.6F526 A527 S529 F530 L533 L568F526-A570 CarbonylContact C-O 3.46Å; F526-A570 VanDerWaalsContact CA-O 3.22Å; F526-A570 WeakPolarHBondContact CA-O 3.23Å; A527-A570 PolarHBondContact N-O 3.27Å; A527-A570 WeakPolarHBondContact O-CB 3.32Å; A527-A570 PolarHBondContact O-N 2.9Å; S529-A570 VanDerWaalsContact C-CB 3.5Å; F530-A570 HydrophobicContact CB-CB 4.42Å; F530-A570 HydrophobicContact CD1-CB 3.79Å; F530-A570 HydrophobicContact CD2-CB 3.68Å; F530-A570 HydrophobicContact CE1-CB 3.83Å; F530-A570 HydrophobicContact CE2-CB 3.73Å; F530-A570 HydrophobicContact CG-CB 3.7Å; F530-A570 HydrophobicContact CZ-CB 3.82Å; L533-A570 HydrophobicContact CD1-CB 3.88Å; L568-A570 PolarHBondContact O-N 3.43Å
571V91.2Very high80.9Confident1 Ų151.6 Ų51.61%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-120.2127.4177.7-178.30000109.2V524 S525 F526 G541 V542 L545 L568 L573V524-V571 HydrophobicContact CG2-CG1 3.63Å; S525-V571 CarbonylContact O-C 3.5Å; F526-V571 HydrophobicContact CB-CG2 4.29Å; G541-V571 CarbonylContact C-O 3.15Å; G541-V571 WeakPolarHBondContact CA-O 3.22Å; V542-V571 HydrophobicContact CB-CB 4.38Å; V542-V571 PolarHBondContact N-O 2.83Å; V542-V571 PolarHBondContact O-N 2.86Å; V542-V571 VanDerWaalsContact O-N 3.12Å; L545-V571 HydrophobicContact CB-CG2 4.49Å; L545-V571 HydrophobicContact CD1-CB 4.11Å; L545-V571 HydrophobicContact CD1-CG1 4.01Å; L545-V571 HydrophobicContact CD1-CG2 4Å; L568-V571 HydrophobicContact CB-CG2 3.46Å; L568-V571 VanDerWaalsContact CB-CG2 3.46Å; L568-V571 HydrophobicContact CD1-CG2 4.05Å; L568-V571 HydrophobicContact CG-CG2 4.37Å; V571-L573 HydrophobicContact CG1-CD2 4.24Å
572Q91Very high79.6Confident11 Ų1161.4 Ų61.45%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-102.2122.3173.2173.2-176.533.300109.1V524 S525 L533 E534 M535 S539 R574V524-Q572 WeakPolarHBondContact CA-O 3.17Å; S525-Q572 PolarHBondContact N-O 2.78Å; S525-Q572 PolarHBondContact O-N 3.23Å; L533-Q572 HydrophobicContact CD1-CB 4.09Å; L533-Q572 HydrophobicContact CD2-CB 4.37Å; E534-Q572 PolarHBondContact O-NE2 3.35Å; M535-Q572 HydrophobicContact SD-CB 4.19Å; M535-Q572 HydrophobicContact SD-CG 3.88Å; S539-Q572 PolarHBondContact OG-NE2 3.2Å; Q572-R574 HydrophobicContact CG-CB 4.49Å
573L92.4Very high78.4Confident3 Ų364.1 Ų64.12%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-101.6112.1168-62.3-172.5000108.2I492 L502 L522 V524 S539 F540 V542 V571 L606I492-L573 HydrophobicContact CD1-CD1 3.99Å; L502-L573 HydrophobicContact CD2-CD1 3.94Å; L522-L573 HydrophobicContact CD1-CB 3.91Å; L522-L573 HydrophobicContact CD2-CD2 4.44Å; V524-L573 HydrophobicContact CB-CD2 4.31Å; V524-L573 HydrophobicContact CG2-CD2 4.23Å; S539-L573 CarbonylContact C-O 3.6Å; F540-L573 HydrophobicContact CB-CB 4.48Å; F540-L573 PolarHBondContact N-O 2.96Å; F540-L573 PolarHBondContact O-N 2.87Å; V542-L573 HydrophobicContact CG2-CD1 3.7Å; V542-L573 HydrophobicContact CG2-CG 3.93Å; V571-L573 HydrophobicContact CG1-CD2 4.24Å; L573-L606 HydrophobicContact CD2-CD1 4.02Å; L573-L606 HydrophobicContact CD2-CD2 3.87Å
574R91.4Very high77.3Confident81 Ų8163.7 Ų63.731%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-115.1128.8-178.9-176.5-178.9172.5118.48110.2I523 D536 Q572 V576I523-R574 PolarHBondContact N-O 3.16Å; I523-R574 PolarHBondContact O-N 3.06Å; D536-R574 VanDerWaalsContact CG-CZ 3.43Å; D536-R574 IonicContact OD1-CZ 3.72Å; D536-R574 IonicContact OD1-NH1 3.71Å; D536-R574 PolarHBondContact OD1-NH1 3.22Å; D536-R574 IonicContact OD2-CZ 3.78Å; D536-R574 IonicContact OD2-NE 2.76Å; D536-R574 IonicContact OD2-NH1 3.35Å; D536-R574 PolarHBondContact OD2-NH1 2.78Å; D536-R574 IonicContact OD2-NH2 3.67Å; D536-R574 PolarHBondContact OD2-NH2 3.15Å; Q572-R574 HydrophobicContact CG-CB 4.49Å; R574-V576 HydrophobicContact CG-CG1 4.1Å
575W92Very high76.7Confident19 Ų1968.6 Ų68.67%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-86.5127.8170.5-68.5103000109.6T505 R506 V509 L520 K521 L522 C538 F540T505-W575 PolarHBondContact OG1-NE1 3.15Å; R506-W575 HydrophobicContact CB-CD2 4.3Å; R506-W575 HydrophobicContact CB-CH2 3.9Å; R506-W575 HydrophobicContact CB-CZ2 3.6Å; R506-W575 HydrophobicContact CB-CZ3 4.36Å; R506-W575 HydrophobicContact CG-CD2 4.31Å; R506-W575 HydrophobicContact CG-CE3 4.14Å; R506-W575 HydrophobicContact CG-CH2 3.91Å; R506-W575 HydrophobicContact CG-CZ2 4.09Å; R506-W575 HydrophobicContact CG-CZ3 3.92Å; V509-W575 HydrophobicContact CB-CB 4.11Å; V509-W575 HydrophobicContact CB-CG 4.48Å; V509-W575 HydrophobicContact CG1-CB 3.91Å; V509-W575 HydrophobicContact CG2-CB 4.07Å; V509-W575 HydrophobicContact CG2-CG 4.29Å; L520-W575 HydrophobicContact CB-CE3 3.91Å; L520-W575 HydrophobicContact CB-CZ3 4.39Å; L520-W575 HydrophobicContact CD2-CB 4.12Å; K521-W575 WeakPolarHBondContact O-CA 3.44Å; L522-W575 HydrophobicContact CB-CD2 4.46Å; L522-W575 HydrophobicContact CB-CE3 3.98Å; L522-W575 HydrophobicContact CB-CH2 3.98Å; L522-W575 HydrophobicContact CB-CZ2 4.43Å; L522-W575 HydrophobicContact CB-CZ3 3.74Å; L522-W575 HydrophobicContact CD1-CD2 3.82Å; L522-W575 HydrophobicContact CD1-CE3 4.21Å; L522-W575 HydrophobicContact CD1-CG 4.23Å; L522-W575 HydrophobicContact CD1-CH2 4.35Å; L522-W575 HydrophobicContact CD1-CZ2 3.95Å; L522-W575 HydrophobicContact CD1-CZ3 4.48Å; L522-W575 HydrophobicContact CD2-CH2 4.49Å; L522-W575 HydrophobicContact CD2-CZ2 4.43Å; C538-W575 PolarHBondContact O-N 3.18Å; C538-W575 VanDerWaalsContact O-N 3.15Å; F540-W575 AromaticContact CE2-CD1 3.8Å
576V89.4Confident75.8Confident10 Ų1074.1 Ų74.16%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-125.4154.2178.6-62.70000110.8L520 K521 I523 R574 T581L520-V576 WeakPolarHBondContact CA-O 3.35Å; K521-V576 HydrophobicContact CB-CG2 4.23Å; K521-V576 PolarHBondContact N-O 2.79Å; K521-V576 WeakPolarHBondContact O-CG2 3.49Å; K521-V576 PolarHBondContact O-N 3.26Å; I523-V576 HydrophobicContact CD1-CB 4.31Å; I523-V576 HydrophobicContact CD1-CG1 3.94Å; I523-V576 HydrophobicContact CD1-CG2 3.44Å; I523-V576 VanDerWaalsContact CD1-CG2 3.44Å; I523-V576 HydrophobicContact CG1-CG2 3.77Å; R574-V576 HydrophobicContact CG-CG1 4.1Å; V576-T581 HydrophobicContact CG2-CG2 3.41Å; V576-T581 VanDerWaalsContact CG2-CG2 3.41Å
577H86.6Confident75.5Confident37 Ų3776.4 Ų76.417%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-80.2133.1178-164.2-123000110.1W515 E519 P579 E580W515-H577 HydrophobicContact CD2-CB 4.25Å; W515-H577 HydrophobicContact CE3-CB 4.29Å; W515-H577 AromaticContact CG-CD2 3.85Å; W515-H577 HydrophobicContact CH2-CB 4.3Å; W515-H577 HydrophobicContact CZ2-CB 4.3Å; W515-H577 HydrophobicContact CZ3-CB 4.3Å; E519-H577 WeakPolarHBondContact CB-NE2 3.23Å; E519-H577 CarbonylContact O-C 3.6Å; E519-H577 WeakPolarHBondContact O-CA 3.32Å; E519-H577 IonicContact OE2-CD2 3.7Å; E519-H577 IonicContact OE2-CE1 2.68Å; E519-H577 IonicContact OE2-NE2 3.51Å; E519-H577 PolarHBondContact OE2-NE2 2.83Å; H577-P579 VanDerWaalsContact C-N 3.33Å; H577-P579 VanDerWaalsContact CE1-CD 3.48Å; H577-P579 WeakPolarHBondContact CE1-CD 3.46Å; H577-P579 VanDerWaalsContact CE1-CG 3.49Å; H577-P579 WeakPolarHBondContact CE1-CG 3.48Å; H577-P579 VanDerWaalsContact CG-CD 3.47Å; H577-P579 WeakPolarHBondContact ND1-CD 3.49Å; H577-P579 WeakPolarHBondContact ND1-CG 3.48Å; H577-P579 WeakPolarHBondContact O-CD 3.25Å; H577-P579 VanDerWaalsContact O-N 3.16Å; H577-E580 WeakPolarHBondContact O-CB 3.19Å; H577-E580 PolarHBondContact O-N 2.74Å
578E76.5Confident75.5Confident101 Ų10172.9 Ų72.947%0.47235%0.346SS..Hα-helixtrans-52.9-33.2-172.6-166.6170.7-167.800115.7E519 E580 T581E519-E578 WeakPolarHBondContact O-CB 3.41Å; E519-E578 PolarHBondContact O-N 3.2Å; E578-E580 PolarHBondContact O-N 3.12Å; E578-T581 PolarHBondContact O-N 2.89Å; E578-T581 PolarHBondContact O-OG1 3.35Å
579P61.7Low75.5Confident85 Ų8572.6 Ų72.655%0.55235%0.345SS*.Hα-helixtrans-57-30.9175.2-23.435.6000113.5H577 T581H577-P579 VanDerWaalsContact C-N 3.33Å; H577-P579 VanDerWaalsContact CE1-CD 3.48Å; H577-P579 WeakPolarHBondContact CE1-CD 3.46Å; H577-P579 VanDerWaalsContact CE1-CG 3.49Å; H577-P579 WeakPolarHBondContact CE1-CG 3.48Å; H577-P579 VanDerWaalsContact CG-CD 3.47Å; H577-P579 WeakPolarHBondContact ND1-CD 3.49Å; H577-P579 WeakPolarHBondContact ND1-CG 3.48Å; H577-P579 WeakPolarHBondContact O-CD 3.25Å; H577-P579 VanDerWaalsContact O-N 3.16Å; P579-T581 VanDerWaalsContact C-N 3.32Å
580E57.9Low75.8Confident126 Ų12667.8 Ų67.859%0.58933%0.326SS*.Hα-helixtrans-75.1-22.1177.3-62.5-176.9161.700112.4H577 E578H577-E580 WeakPolarHBondContact O-CB 3.19Å; H577-E580 PolarHBondContact O-N 2.74Å; E578-E580 PolarHBondContact O-N 3.12Å
581T53.7Low76Confident13 Ų1367.7 Ų67.78%0.0833%0.325CS..Hα-helixtrans-91.9-10.8-169.462.20000115.6K521 I523 V576 E578 P579 L583 V584K521-T581 HydrophobicContact CB-CG2 4.29Å; K521-T581 HydrophobicContact CD-CG2 4.11Å; I523-T581 HydrophobicContact CD1-CG2 4.37Å; V576-T581 HydrophobicContact CG2-CG2 3.41Å; V576-T581 VanDerWaalsContact CG2-CG2 3.41Å; E578-T581 PolarHBondContact O-N 2.89Å; E578-T581 PolarHBondContact O-OG1 3.35Å; P579-T581 VanDerWaalsContact C-N 3.32Å; T581-L583 PolarHBondContact O-N 2.95Å; T581-V584 PolarHBondContact O-N 2.83Å
582R51.9Low76.2Confident215 Ų21567.9 Ų67.981%0.81133%0.326SS*.THydrogen-bonded Turntrans-60-15.8176.3-74.6-174.3-179176.62.2113
583L48Very low76.3Confident160 Ų16067.4 Ų67.484%0.83832%0.324SS*.THydrogen-bonded Turntrans-94.2-9.9-178.6-65.3166.7000115T581T581-L583 PolarHBondContact O-N 2.95Å
584V51.3Low76.4Confident73 Ų7367.3 Ų67.344%0.44232%0.324SS..  trans-111.524.2-168-159.60000113.1T581T581-V584 PolarHBondContact O-N 2.83Å
585K56.7Low76.6Confident160 Ų16063.9 Ų63.970%0.69631%0.311SS*.  trans-88.3-5.2-177.1-81.1-170.1178.1179.30115.1
586E63.8Low76.5Confident171 Ų17163.2 Ų63.280%0.79931%0.309SS*.THydrogen-bonded Turntrans-81.4126.7174.9-63.8-177.8174.700108.4
587D80.1Confident76.5Confident76 Ų7662.9 Ų62.941%0.40631%0.307SS..THydrogen-bonded Turntrans6946.4172.2-46.1-39.1000117.6I610 P612D587-I610 HydrophobicContact CB-CG1 4.24Å; D587-I610 VanDerWaalsContact O-CG1 3.29Å; D587-I610 WeakPolarHBondContact O-CG1 3.34Å; D587-I610 PolarHBondContact O-N 3.06Å; D587-P612 HydrophobicContact CB-CG 4.34Å; D587-P612 VanDerWaalsContact CG-CG 3.49Å; D587-P612 WeakPolarHBondContact OD1-CB 3.46Å; D587-P612 WeakPolarHBondContact OD1-CG 3.37Å; D587-P612 WeakPolarHBondContact OD2-CG 3.22Å
588V86.6Confident76.4Confident45 Ų4563.2 Ų63.227%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-119.9148.7170.9-62.10000113.4D607 F608 K609V588-D607 HydrophobicContact CB-CB 4.37Å; V588-F608 CarbonylContact C-O 3.54Å; V588-F608 VanDerWaalsContact CA-O 3.24Å; V588-F608 WeakPolarHBondContact CA-O 3.41Å; V588-K609 HydrophobicContact CG1-CG 4.46Å
589V89.2Confident77.1Confident0 Ų059 Ų590%029%0.29CS..EExtended strand (participates in β ladder)trans-119.3128.3172.266.80000110.4L591 D607 F608 I610 A617 F620 Y621V589-L591 HydrophobicContact CG1-CD1 4.09Å; V589-L591 HydrophobicContact CG1-CD2 4.37Å; V589-L591 HydrophobicContact CG1-CG 4.02Å; V589-L591 HydrophobicContact CG2-CD2 3.89Å; V589-L591 HydrophobicContact CG2-CG 4.28Å; V589-D607 WeakPolarHBondContact O-CA 3.44Å; V589-F608 HydrophobicContact CG1-CB 4.04Å; V589-F608 PolarHBondContact N-O 2.61Å; V589-F608 PolarHBondContact O-N 3.21Å; V589-I610 HydrophobicContact CB-CG2 3.92Å; V589-I610 HydrophobicContact CG1-CG2 3.42Å; V589-I610 VanDerWaalsContact CG1-CG2 3.42Å; V589-A617 HydrophobicContact CB-CB 4.33Å; V589-A617 HydrophobicContact CG2-CB 4.13Å; V589-F620 HydrophobicContact CG1-CD2 4.44Å; V589-F620 HydrophobicContact CG1-CG 4.44Å; V589-F620 HydrophobicContact CG2-CB 4.02Å; V589-F620 HydrophobicContact CG2-CD2 4.48Å; V589-F620 HydrophobicContact CG2-CG 4.42Å; V589-Y621 HydrophobicContact CG2-CE1 4.16Å; V589-Y621 HydrophobicContact CG2-CE2 4.12Å
590N91.9Very high78.3Confident35 Ų3563.1 Ų63.119%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-85.5113.5177.7-174.8-103.5000109.5F247 S605 L606 D607 Y621F247-N590 WeakPolarHBondContact CE1-O 3.33Å; F247-N590 VanDerWaalsContact CE1-OD1 3.31Å; F247-N590 WeakPolarHBondContact CE1-OD1 3.37Å; F247-N590 WeakPolarHBondContact CZ-OD1 3.31Å; N590-S605 WeakPolarHBondContact OD1-CB 3.48Å; N590-L606 CarbonylContact C-O 3.59Å; N590-L606 WeakPolarHBondContact CA-O 3.46Å; N590-D607 WeakPolarHBondContact CB-OD1 3.39Å; N590-D607 PolarHBondContact ND2-OD1 2.77Å; N590-Y621 PolarHBondContact N-OH 3.25Å; N590-Y621 VanDerWaalsContact O-CE1 3.22Å; N590-Y621 WeakPolarHBondContact O-CE1 3.33Å; N590-Y621 PolarHBondContact O-OH 3.25Å
591L93.2Very high79.9Confident0 Ų062.1 Ų62.10%029%0.286CS..EExtended strand (participates in β ladder)trans-113143.9-177.3-62.3176.3000112.2I547 L558 V589 S605 L606 F608 F620 V625I547-L591 HydrophobicContact CD1-CD1 4.09Å; L558-L591 HydrophobicContact CD1-CD1 3.55Å; V589-L591 HydrophobicContact CG1-CD1 4.09Å; V589-L591 HydrophobicContact CG1-CD2 4.37Å; V589-L591 HydrophobicContact CG1-CG 4.02Å; V589-L591 HydrophobicContact CG2-CD2 3.89Å; V589-L591 HydrophobicContact CG2-CG 4.28Å; L591-S605 CarbonylContact O-C 3.54Å; L591-S605 VanDerWaalsContact O-CA 3.26Å; L591-S605 WeakPolarHBondContact O-CA 3.43Å; L591-L606 PolarHBondContact N-O 2.94Å; L591-L606 PolarHBondContact O-N 2.87Å; L591-F608 HydrophobicContact CB-CD2 3.89Å; L591-F608 HydrophobicContact CB-CE2 3.95Å; L591-F608 HydrophobicContact CD1-CD2 3.64Å; L591-F608 HydrophobicContact CD1-CE2 4.09Å; L591-F608 HydrophobicContact CD1-CG 4.21Å; L591-F608 HydrophobicContact CG-CD2 3.98Å; L591-F608 HydrophobicContact CG-CE2 4.47Å; L591-F620 HydrophobicContact CD2-CB 4.39Å; L591-V625 HydrophobicContact CD1-CG1 3.76Å; L591-V625 HydrophobicContact CD2-CB 4.21Å; L591-V625 HydrophobicContact CD2-CG1 4.17Å
592P94.6Very high81.7Confident5 Ų564.3 Ų64.33%0.03230%0.297CS..EExtended strand (participates in β ladder)trans-71.9143.1174.623.6-27.1000112.1F247 Y594 L602 A626 V627F247-P592 HydrophobicContact CB-CG 4.46Å; F247-P592 HydrophobicContact CD1-CB 4.39Å; F247-P592 HydrophobicContact CD1-CG 4.09Å; F247-P592 HydrophobicContact CD2-CB 3.57Å; F247-P592 HydrophobicContact CD2-CG 3.99Å; F247-P592 HydrophobicContact CE1-CB 4.3Å; F247-P592 HydrophobicContact CE1-CG 4.3Å; F247-P592 HydrophobicContact CE2-CB 3.43Å; F247-P592 VanDerWaalsContact CE2-CB 3.43Å; F247-P592 HydrophobicContact CE2-CG 4.17Å; F247-P592 HydrophobicContact CG-CB 4.03Å; F247-P592 HydrophobicContact CG-CG 3.91Å; F247-P592 HydrophobicContact CZ-CB 3.82Å; F247-P592 HydrophobicContact CZ-CG 4.31Å; P592-Y594 HydrophobicContact CB-CD2 4.07Å; P592-Y594 HydrophobicContact CB-CE2 3.41Å; P592-Y594 VanDerWaalsContact CB-CE2 3.41Å; P592-Y594 HydrophobicContact CG-CD2 4.38Å; P592-Y594 HydrophobicContact CG-CE2 3.54Å; P592-L602 HydrophobicContact CB-CD1 3.59Å; P592-A626 HydrophobicContact CG-CB 3.9Å; P592-V627 PolarHBondContact O-N 3.07Å
593V94.4Very high83.7Confident0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-111.3108.7168.2-172.40000108.9L603 F604 L606 V627 C629V593-L603 WeakPolarHBondContact O-CB 3.13Å; V593-L603 PolarHBondContact O-N 3.03Å; V593-F604 HydrophobicContact CB-CD1 4.39Å; V593-F604 HydrophobicContact CB-CD2 4.06Å; V593-F604 HydrophobicContact CB-CE1 4.27Å; V593-F604 HydrophobicContact CB-CE2 3.94Å; V593-F604 HydrophobicContact CB-CG 4.29Å; V593-F604 HydrophobicContact CB-CZ 4.05Å; V593-F604 HydrophobicContact CG1-CE1 3.99Å; V593-F604 HydrophobicContact CG1-CE2 4.11Å; V593-F604 HydrophobicContact CG1-CZ 3.75Å; V593-F604 HydrophobicContact CG2-CD2 3.81Å; V593-F604 HydrophobicContact CG2-CE2 3.61Å; V593-F604 HydrophobicContact CG2-CZ 4.14Å; V593-F604 PolarHBondContact N-O 2.99Å; V593-L606 HydrophobicContact CG2-CB 4.5Å; V593-L606 HydrophobicContact CG2-CD1 3.77Å; V593-L606 HydrophobicContact CG2-CG 3.85Å; V593-V627 WeakPolarHBondContact CA-O 3.13Å; V593-V627 HydrophobicContact CB-CB 4.41Å; V593-V627 HydrophobicContact CG1-CB 4.26Å; V593-V627 HydrophobicContact CG1-CG1 4.13Å; V593-V627 HydrophobicContact CG2-CB 4.08Å; V593-V627 HydrophobicContact CG2-CG1 4.49Å; V593-C629 WeakPolarHBondContact CG1-SG 3.48Å
594Y94.3Very high85.8Confident2 Ų248.6 Ų48.61%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-96.1151.2177.1-63.9-76.6000111.3T189 N245 P592 Y596 R599 R601 L602 A626 V627 V628 C629T189-Y594 WeakPolarHBondContact CG2-OH 3.3Å; N245-Y594 PolarHBondContact ND2-OH 3.49Å; P592-Y594 HydrophobicContact CB-CD2 4.07Å; P592-Y594 HydrophobicContact CB-CE2 3.41Å; P592-Y594 VanDerWaalsContact CB-CE2 3.41Å; P592-Y594 HydrophobicContact CG-CD2 4.38Å; P592-Y594 HydrophobicContact CG-CE2 3.54Å; Y594-Y596 WeakPolarHBondContact CB-O 3.26Å; Y594-R599 HydrophobicContact CD1-CB 3.89Å; Y594-R599 WeakPolarHBondContact CD1-O 3.37Å; Y594-R599 HydrophobicContact CD2-CB 3.95Å; Y594-R599 HydrophobicContact CD2-CG 3.73Å; Y594-R599 HydrophobicContact CE1-CB 3.9Å; Y594-R599 VanDerWaalsContact CE1-O 3.25Å; Y594-R599 WeakPolarHBondContact CE1-O 3.18Å; Y594-R599 HydrophobicContact CE2-CB 3.93Å; Y594-R599 HydrophobicContact CE2-CG 3.88Å; Y594-R599 HydrophobicContact CG-CB 3.95Å; Y594-R599 HydrophobicContact CG-CG 4.1Å; Y594-R601 VanDerWaalsContact CA-O 3.32Å; Y594-R601 WeakPolarHBondContact CA-O 3.4Å; Y594-L602 HydrophobicContact CD1-CB 4.07Å; Y594-L602 HydrophobicContact CD1-CD1 4.21Å; Y594-L602 HydrophobicContact CE1-CB 3.82Å; Y594-L602 HydrophobicContact CE1-CD1 3.89Å; Y594-L602 HydrophobicContact CE1-CG 4.44Å; Y594-A626 HydrophobicContact CD2-CB 3.83Å; Y594-A626 HydrophobicContact CE2-CB 3.81Å; Y594-V627 PolarHBondContact N-O 2.84Å; Y594-V628 WeakPolarHBondContact O-CA 3.39Å; Y594-C629 PolarHBondContact O-N 2.82Å
595L93.9Very high87.8Confident9 Ų946.8 Ų46.85%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-65.8-44.3174.4-176.754.4000111.6R450 P498 R601 L603 C629 N630R450-L595 HydrophobicContact CB-CD2 4.47Å; P498-L595 HydrophobicContact CG-CD1 4.13Å; L595-R601 HydrophobicContact CB-CB 4.09Å; L595-R601 HydrophobicContact CB-CG 4.18Å; L595-R601 HydrophobicContact CD2-CG 4.44Å; L595-R601 PolarHBondContact N-O 3.09Å; L595-L603 HydrophobicContact CB-CD1 4.12Å; L595-L603 HydrophobicContact CB-CD2 4.13Å; L595-L603 HydrophobicContact CB-CG 4.16Å; L595-L603 HydrophobicContact CD1-CD1 4.22Å; L595-C629 HydrophobicContact CD1-CB 4.42Å; L595-N630 WeakPolarHBondContact O-CB 3.44Å; L595-N630 PolarHBondContact O-N 2.76Å
596Y91.9Very high89.4Confident4 Ų439.3 Ų39.32%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-131166.4-177.2-58.4-69.3000111.7R450 P452 R467 Y594 D598 R599 N630 L632R450-Y596 VanDerWaalsContact O-CE2 3.29Å; R450-Y596 WeakPolarHBondContact O-CE2 3.4Å; R450-Y596 PolarHBondContact O-OH 2.73Å; P452-Y596 HydrophobicContact CG-CD1 3.73Å; P452-Y596 HydrophobicContact CG-CD2 3.71Å; P452-Y596 HydrophobicContact CG-CE1 4.25Å; P452-Y596 HydrophobicContact CG-CE2 4.23Å; P452-Y596 HydrophobicContact CG-CG 3.45Å; P452-Y596 VanDerWaalsContact CG-CG 3.45Å; R467-Y596 PolarHBondContact NH2-OH 2.54Å; Y594-Y596 WeakPolarHBondContact CB-O 3.26Å; Y596-D598 PolarHBondContact O-N 2.95Å; Y596-R599 PolarHBondContact O-N 2.81Å; Y596-N630 HydrophobicContact CD1-CB 3.83Å; Y596-N630 HydrophobicContact CE1-CB 3.67Å; Y596-L632 HydrophobicContact CD1-CB 4.07Å; Y596-L632 HydrophobicContact CE1-CB 3.76Å; Y596-L632 HydrophobicContact CE1-CD2 4.02Å; Y596-L632 HydrophobicContact CE1-CG 4.42Å
597A87.6Confident90.7Very high4 Ų433 Ų333%0.03316%0.159CC..THydrogen-bonded Turntrans-67.5-16.2-179.100000114.2P185 W565 R599 L635P185-A597 VanDerWaalsContact CG-O 3.26Å; P185-A597 WeakPolarHBondContact CG-O 3.44Å; W565-A597 HydrophobicContact CH2-CB 4.17Å; W565-A597 HydrophobicContact CZ2-CB 4.03Å; A597-R599 PolarHBondContact O-N 2.84Å; A597-L635 HydrophobicContact CB-CD1 3.84Å; A597-L635 HydrophobicContact CB-CG 3.79Å; A597-L635 WeakPolarHBondContact O-CD1 3.39Å
598D86.2Confident91.1Very high43 Ų4329.4 Ų29.423%0.2314%0.14CC..THydrogen-bonded Turntrans-69.2-10.2173.669.23.2000113.9P185 Y596 Y600P185-D598 WeakPolarHBondContact CB-O 3.49Å; Y596-D598 PolarHBondContact O-N 2.95Å; D598-Y600 PolarHBondContact O-N 3.49Å; D598-Y600 VanDerWaalsContact O-N 3.1Å; D598-Y600 PolarHBondContact OD1-N 3.25Å; D598-Y600 VanDerWaalsContact OD1-N 3.11Å
599R89.6Confident91.2Very high13 Ų1332.3 Ų32.35%0.04915%0.149CC..  trans55.321-179.6-52.4-171-171.7-168.1-8.3114.9P185 T189 M548 Y594 Y596 A597 G624P185-R599 HydrophobicContact CB-CB 4.06Å; P185-R599 HydrophobicContact CB-CG 3.94Å; P185-R599 HydrophobicContact CG-CG 4.28Å; P185-R599 VanDerWaalsContact O-CD 3.3Å; P185-R599 WeakPolarHBondContact O-CD 3.31Å; P185-R599 PolarHBondContact O-NE 2.73Å; P185-R599 PolarHBondContact O-NH1 3.43Å; T189-R599 HydrophobicContact CG2-CB 4.19Å; M548-R599 PolarHBondContact SD-NH2 2.83Å; M548-R599 VanDerWaalsContact SD-NH2 3.39Å; Y594-R599 HydrophobicContact CD1-CB 3.89Å; Y594-R599 WeakPolarHBondContact CD1-O 3.37Å; Y594-R599 HydrophobicContact CD2-CB 3.95Å; Y594-R599 HydrophobicContact CD2-CG 3.73Å; Y594-R599 HydrophobicContact CE1-CB 3.9Å; Y594-R599 VanDerWaalsContact CE1-O 3.25Å; Y594-R599 WeakPolarHBondContact CE1-O 3.18Å; Y594-R599 HydrophobicContact CE2-CB 3.93Å; Y594-R599 HydrophobicContact CE2-CG 3.88Å; Y594-R599 HydrophobicContact CG-CB 3.95Å; Y594-R599 HydrophobicContact CG-CG 4.1Å; Y596-R599 PolarHBondContact O-N 2.81Å; A597-R599 PolarHBondContact O-N 2.84Å; R599-G624 PolarHBondContact NH1-O 3.39Å; R599-G624 PolarHBondContact NH2-O 2.71Å
600Y88.1Confident90.9Very high172 Ų17232.9 Ų32.968%0.67515%0.152SC*.  trans-76.5-35.8-179.7-172-101.8000112.2D598D598-Y600 PolarHBondContact O-N 3.49Å; D598-Y600 VanDerWaalsContact O-N 3.1Å; D598-Y600 PolarHBondContact OD1-N 3.25Å; D598-Y600 VanDerWaalsContact OD1-N 3.11Å
601R90.2Very high90.3Very high104 Ų10433.4 Ų33.439%0.39216%0.155SC..  trans-109.196.9-178.1-17364.2173.1-174.30.3111.5E499 Y594 L595 L603E499-R601 IonicContact OE1-CZ 3.79Å; E499-R601 IonicContact OE1-NE 3.57Å; E499-R601 PolarHBondContact OE1-NE 3.2Å; E499-R601 IonicContact OE1-NH2 3.09Å; E499-R601 PolarHBondContact OE1-NH2 3.13Å; E499-R601 IonicContact OE2-NH2 3.91Å; Y594-R601 VanDerWaalsContact CA-O 3.32Å; Y594-R601 WeakPolarHBondContact CA-O 3.4Å; L595-R601 HydrophobicContact CB-CB 4.09Å; L595-R601 HydrophobicContact CB-CG 4.18Å; L595-R601 HydrophobicContact CD2-CG 4.44Å; L595-R601 PolarHBondContact N-O 3.09Å; R601-L603 HydrophobicContact CG-CD2 4.04Å
602L92.8Very high89.4Confident59 Ų5936.6 Ų36.631%0.30918%0.175SC..EExtended strand (participates in β ladder)trans-73.8125.1168.2-179.366.2000109.4F247 P592 Y594 F604F247-L602 HydrophobicContact CD2-CD1 4.42Å; F247-L602 HydrophobicContact CD2-CD2 4.27Å; F247-L602 HydrophobicContact CE2-CD1 3.97Å; F247-L602 HydrophobicContact CE2-CD2 3.98Å; P592-L602 HydrophobicContact CB-CD1 3.59Å; Y594-L602 HydrophobicContact CD1-CB 4.07Å; Y594-L602 HydrophobicContact CD1-CD1 4.21Å; Y594-L602 HydrophobicContact CE1-CB 3.82Å; Y594-L602 HydrophobicContact CE1-CD1 3.89Å; Y594-L602 HydrophobicContact CE1-CG 4.44Å; L602-F604 WeakPolarHBondContact CD1-O 3.29Å
603L92.7Very high88.4Confident20 Ų2042.6 Ų42.611%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-92.8-52.4178.2-59.1179.4000111.1I492 P498 E499 V593 L595 R601 C629I492-L603 HydrophobicContact CG2-CD1 4.33Å; P498-L603 HydrophobicContact CB-CD1 4Å; P498-L603 HydrophobicContact CB-CD2 4.21Å; P498-L603 HydrophobicContact CG-CD1 4.03Å; P498-L603 HydrophobicContact CG-CD2 3.56Å; P498-L603 HydrophobicContact CG-CG 4.45Å; E499-L603 HydrophobicContact CG-CD2 3.95Å; E499-L603 VanDerWaalsContact OE1-CD2 3.29Å; E499-L603 WeakPolarHBondContact OE1-CD2 3.18Å; V593-L603 WeakPolarHBondContact O-CB 3.13Å; V593-L603 PolarHBondContact O-N 3.03Å; L595-L603 HydrophobicContact CB-CD1 4.12Å; L595-L603 HydrophobicContact CB-CD2 4.13Å; L595-L603 HydrophobicContact CB-CG 4.16Å; L595-L603 HydrophobicContact CD1-CD1 4.22Å; R601-L603 HydrophobicContact CG-CD2 4.04Å; L603-C629 HydrophobicContact CD1-CB 4.44Å
604F92.9Very high87.2Confident25 Ų2546.7 Ų46.711%0.1123%0.232CC..EExtended strand (participates in β ladder)trans-165.5-175.4-177.854.4-84.7000109.9I492 L502 L522 V593 L602 L606I492-F604 HydrophobicContact CD1-CZ 4.29Å; L502-F604 HydrophobicContact CD1-CB 3.66Å; L502-F604 HydrophobicContact CD1-CD1 3.09Å; L502-F604 HydrophobicContact CD1-CD2 3.7Å; L502-F604 HydrophobicContact CD1-CE1 3.49Å; L502-F604 VanDerWaalsContact CD1-CE1 3.49Å; L502-F604 HydrophobicContact CD1-CE2 4.01Å; L502-F604 HydrophobicContact CD1-CG 3.21Å; L502-F604 HydrophobicContact CD1-CZ 3.93Å; L502-F604 HydrophobicContact CG-CD1 4.09Å; L502-F604 HydrophobicContact CG-CE1 4.1Å; L522-F604 HydrophobicContact CD2-CD2 4.46Å; V593-F604 HydrophobicContact CB-CD1 4.39Å; V593-F604 HydrophobicContact CB-CD2 4.06Å; V593-F604 HydrophobicContact CB-CE1 4.27Å; V593-F604 HydrophobicContact CB-CE2 3.94Å; V593-F604 HydrophobicContact CB-CG 4.29Å; V593-F604 HydrophobicContact CB-CZ 4.05Å; V593-F604 HydrophobicContact CG1-CE1 3.99Å; V593-F604 HydrophobicContact CG1-CE2 4.11Å; V593-F604 HydrophobicContact CG1-CZ 3.75Å; V593-F604 HydrophobicContact CG2-CD2 3.81Å; V593-F604 HydrophobicContact CG2-CE2 3.61Å; V593-F604 HydrophobicContact CG2-CZ 4.14Å; V593-F604 PolarHBondContact N-O 2.99Å; L602-F604 WeakPolarHBondContact CD1-O 3.29Å; F604-L606 HydrophobicContact CD2-CD2 3.94Å; F604-L606 HydrophobicContact CD2-CG 3.91Å; F604-L606 HydrophobicContact CE2-CD1 3.86Å; F604-L606 HydrophobicContact CE2-CD2 3.79Å; F604-L606 HydrophobicContact CE2-CG 3.71Å
605S92.8Very high86.4Confident36 Ų3646.9 Ų46.925%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-132.1146.6177.155.20000110.9K246 N590 L591K246-S605 PolarHBondContact NZ-OG 3.09Å; N590-S605 WeakPolarHBondContact OD1-CB 3.48Å; L591-S605 CarbonylContact O-C 3.54Å; L591-S605 VanDerWaalsContact O-CA 3.26Å; L591-S605 WeakPolarHBondContact O-CA 3.43Å
606L91.7Very high85.8Confident2 Ų249.2 Ų49.21%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.3142-178.3-66.5175.3000110.7L522 V524 L573 N590 L591 V593 F604 F608L522-L606 HydrophobicContact CD2-CD2 3.55Å; L522-L606 HydrophobicContact CG-CD2 4.04Å; V524-L606 HydrophobicContact CB-CB 4.38Å; V524-L606 HydrophobicContact CB-CD1 4.1Å; V524-L606 HydrophobicContact CB-CD2 4.26Å; V524-L606 HydrophobicContact CB-CG 4.49Å; V524-L606 HydrophobicContact CG1-CB 3.95Å; V524-L606 HydrophobicContact CG1-CD1 4.41Å; V524-L606 HydrophobicContact CG2-CD1 4.08Å; L573-L606 HydrophobicContact CD2-CD1 4.02Å; L573-L606 HydrophobicContact CD2-CD2 3.87Å; N590-L606 CarbonylContact C-O 3.59Å; N590-L606 WeakPolarHBondContact CA-O 3.46Å; L591-L606 PolarHBondContact N-O 2.94Å; L591-L606 PolarHBondContact O-N 2.87Å; V593-L606 HydrophobicContact CG2-CB 4.5Å; V593-L606 HydrophobicContact CG2-CD1 3.77Å; V593-L606 HydrophobicContact CG2-CG 3.85Å; F604-L606 HydrophobicContact CD2-CD2 3.94Å; F604-L606 HydrophobicContact CD2-CG 3.91Å; F604-L606 HydrophobicContact CE2-CD1 3.86Å; F604-L606 HydrophobicContact CE2-CD2 3.79Å; F604-L606 HydrophobicContact CE2-CG 3.71Å; L606-F608 HydrophobicContact CB-CD2 4.12Å; L606-F608 HydrophobicContact CB-CE2 3.58Å; L606-F608 HydrophobicContact CB-CZ 4.12Å; L606-F608 HydrophobicContact CD1-CE2 4.22Å; L606-F608 HydrophobicContact CD1-CZ 3.98Å; L606-F608 WeakPolarHBondContact O-CD2 3.44Å
607D90.3Very high85.5Confident38 Ų3850 Ų5020%0.20326%0.256CS..EExtended strand (participates in β ladder)trans-90.7108.4174.7-67.2-16.8000109.5K521 V524 V588 V589 N590K521-D607 WeakPolarHBondContact CE-OD2 3.35Å; K521-D607 IonicContact NZ-OD2 2.99Å; K521-D607 PolarHBondContact NZ-OD2 3.39Å; V524-D607 VanDerWaalsContact CG1-O 3.22Å; V524-D607 WeakPolarHBondContact CG1-O 3.14Å; V588-D607 HydrophobicContact CB-CB 4.37Å; V589-D607 WeakPolarHBondContact O-CA 3.44Å; N590-D607 WeakPolarHBondContact CB-OD1 3.39Å; N590-D607 PolarHBondContact ND2-OD1 2.77Å
608F89.1Confident85.4Confident2 Ų254.3 Ų54.31%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-95.9140.8177.6-70.2-92.7000110.8V524 F526 L558 V588 V589 L591 L606 V627V524-F608 HydrophobicContact CG1-CD1 3.91Å; V524-F608 HydrophobicContact CG1-CD2 4.4Å; V524-F608 HydrophobicContact CG1-CE1 3.94Å; V524-F608 HydrophobicContact CG1-CE2 4.45Å; V524-F608 HydrophobicContact CG1-CG 4.15Å; V524-F608 HydrophobicContact CG1-CZ 4.21Å; V524-F608 HydrophobicContact CG2-CE1 4.07Å; V524-F608 HydrophobicContact CG2-CZ 4.41Å; F526-F608 HydrophobicContact CD1-CD1 4.17Å; F526-F608 HydrophobicContact CD1-CE1 4.2Å; F526-F608 AromaticContact CE1-CD1 3.86Å; F526-F608 HydrophobicContact CE1-CD1 3.86Å; F526-F608 HydrophobicContact CE1-CE1 4.32Å; L558-F608 HydrophobicContact CD1-CB 3.47Å; L558-F608 VanDerWaalsContact CD1-CB 3.47Å; L558-F608 HydrophobicContact CD1-CD1 3.79Å; L558-F608 HydrophobicContact CD1-CD2 4.26Å; L558-F608 HydrophobicContact CD1-CG 3.59Å; L558-F608 HydrophobicContact CD2-CD1 4.31Å; L558-F608 HydrophobicContact CG-CB 3.98Å; L558-F608 HydrophobicContact CG-CD1 4.11Å; L558-F608 HydrophobicContact CG-CG 4.27Å; V588-F608 CarbonylContact C-O 3.54Å; V588-F608 VanDerWaalsContact CA-O 3.24Å; V588-F608 WeakPolarHBondContact CA-O 3.41Å; V589-F608 HydrophobicContact CG1-CB 4.04Å; V589-F608 PolarHBondContact N-O 2.61Å; V589-F608 PolarHBondContact O-N 3.21Å; L591-F608 HydrophobicContact CB-CD2 3.89Å; L591-F608 HydrophobicContact CB-CE2 3.95Å; L591-F608 HydrophobicContact CD1-CD2 3.64Å; L591-F608 HydrophobicContact CD1-CE2 4.09Å; L591-F608 HydrophobicContact CD1-CG 4.21Å; L591-F608 HydrophobicContact CG-CD2 3.98Å; L591-F608 HydrophobicContact CG-CE2 4.47Å; L606-F608 HydrophobicContact CB-CD2 4.12Å; L606-F608 HydrophobicContact CB-CE2 3.58Å; L606-F608 HydrophobicContact CB-CZ 4.12Å; L606-F608 HydrophobicContact CD1-CE2 4.22Å; L606-F608 HydrophobicContact CD1-CZ 3.98Å; L606-F608 WeakPolarHBondContact O-CD2 3.44Å; F608-V627 HydrophobicContact CE2-CG2 3.98Å; F608-V627 HydrophobicContact CZ-CG2 3.79Å
609K87.2Confident85.5Confident105 Ų10555.1 Ų55.146%0.45728%0.278SS..EExtended strand (participates in β ladder)trans-70.1139.5172.6-63.3-177.9179.3-177.60110.3C557 L558 V588C557-K609 VanDerWaalsContact CA-O 3.32Å; C557-K609 WeakPolarHBondContact CA-O 3.44Å; L558-K609 PolarHBondContact N-O 3.29Å; V588-K609 HydrophobicContact CG1-CG 4.46Å
610I84.3Confident85.4Confident13 Ų1354.5 Ų54.57%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-120.1155.1174.158.2169.4000109.5D587 V589 P612 A617 F620D587-I610 HydrophobicContact CB-CG1 4.24Å; D587-I610 VanDerWaalsContact O-CG1 3.29Å; D587-I610 WeakPolarHBondContact O-CG1 3.34Å; D587-I610 PolarHBondContact O-N 3.06Å; V589-I610 HydrophobicContact CB-CG2 3.92Å; V589-I610 HydrophobicContact CG1-CG2 3.42Å; V589-I610 VanDerWaalsContact CG1-CG2 3.42Å; I610-P612 WeakPolarHBondContact O-CD 3.24Å; I610-A617 HydrophobicContact CD1-CB 4.21Å; I610-F620 HydrophobicContact CB-CE2 4.13Å; I610-F620 HydrophobicContact CG2-CD2 4.09Å; I610-F620 HydrophobicContact CG2-CE2 3.46Å; I610-F620 VanDerWaalsContact CG2-CE2 3.46Å; I610-F620 HydrophobicContact CG2-CZ 3.8Å
611D79.6Confident85.5Confident46 Ų4647.7 Ų47.725%0.24625%0.249CC..  trans-92.6107.3167.7-175.1-19000107.9V613 I614 S615D611-V613 PolarHBondContact O-N 3.21Å; D611-V613 WeakPolarHBondContact OD1-CB 3.42Å; D611-V613 PolarHBondContact OD1-N 3.46Å; D611-V613 VanDerWaalsContact OD1-N 3.07Å; D611-I614 HydrophobicContact CB-CB 4.31Å; D611-I614 HydrophobicContact CB-CD1 4.16Å; D611-I614 HydrophobicContact CB-CG1 4.28Å; D611-I614 PolarHBondContact O-N 2.74Å; D611-I614 WeakPolarHBondContact OD2-CD1 3.25Å; D611-S615 PolarHBondContact O-N 3.15Å
612P74.1Confident85.5Confident66 Ų6643.6 Ų43.643%0.42923%0.234SC..THydrogen-bonded Turntrans-66.2-19.5-174.431.1-38.7000112.5D587 I610 I614D587-P612 HydrophobicContact CB-CG 4.34Å; D587-P612 VanDerWaalsContact CG-CG 3.49Å; D587-P612 WeakPolarHBondContact OD1-CB 3.46Å; D587-P612 WeakPolarHBondContact OD1-CG 3.37Å; D587-P612 WeakPolarHBondContact OD2-CG 3.22Å; I610-P612 WeakPolarHBondContact O-CD 3.24Å; P612-I614 VanDerWaalsContact C-N 3.26Å; P612-I614 PolarHBondContact O-N 3.3Å
613V71.9Confident85.3Confident132 Ų13244.3 Ų44.380%0.823%0.233SC*.THydrogen-bonded Turntrans-70.3-29.7176.3-175.30000110.7D611D611-V613 PolarHBondContact O-N 3.21Å; D611-V613 WeakPolarHBondContact OD1-CB 3.42Å; D611-V613 PolarHBondContact OD1-N 3.46Å; D611-V613 VanDerWaalsContact OD1-N 3.07Å
614I69.6Low85Confident85 Ų8543.8 Ų43.844%0.43623%0.232SC..THydrogen-bonded Turntrans-104.5-36.4-170.7-57.5177.2000111.5K559 D611 P612K559-I614 HydrophobicContact CD-CD1 4.46Å; D611-I614 HydrophobicContact CB-CB 4.31Å; D611-I614 HydrophobicContact CB-CD1 4.16Å; D611-I614 HydrophobicContact CB-CG1 4.28Å; D611-I614 PolarHBondContact O-N 2.74Å; D611-I614 WeakPolarHBondContact OD2-CD1 3.25Å; P612-I614 VanDerWaalsContact C-N 3.26Å; P612-I614 PolarHBondContact O-N 3.3Å
615S77Confident84.8Confident6 Ų642.9 Ų42.94%0.04223%0.229CC..  trans-151.6143.5-174.4-58.60000112.1V560 D611 Q619V560-S615 WeakPolarHBondContact CG2-OG 3.33Å; D611-S615 PolarHBondContact O-N 3.15Å; S615-Q619 VanDerWaalsContact CA-OE1 3.31Å
616T83.3Confident84.7Confident59 Ų5941.2 Ų41.236%0.36222%0.217SC..  trans-96.9156.5174.681.30000111E618 Q619 F620T616-E618 WeakPolarHBondContact CB-OE2 3.47Å; T616-E618 PolarHBondContact O-N 3.18Å; T616-E618 PolarHBondContact OG1-N 2.97Å; T616-E618 PolarHBondContact OG1-OE2 3.4Å; T616-Q619 WeakPolarHBondContact O-CB 3.17Å; T616-Q619 PolarHBondContact O-N 3.39Å; T616-Q619 VanDerWaalsContact O-N 3.1Å; T616-Q619 PolarHBondContact OG1-N 2.96Å; T616-F620 WeakPolarHBondContact O-CD2 3.31Å
617A85Confident84.8Confident20 Ų2041.1 Ų41.117%0.16522%0.217CC..Hα-helixtrans-56.4-37176.500000112V589 I610 Q619 F620 Y621V589-A617 HydrophobicContact CB-CB 4.33Å; V589-A617 HydrophobicContact CG2-CB 4.13Å; I610-A617 HydrophobicContact CD1-CB 4.21Å; A617-Q619 VanDerWaalsContact C-N 3.32Å; A617-Q619 PolarHBondContact O-N 3.12Å; A617-F620 PolarHBondContact O-N 3.04Å; A617-Y621 HydrophobicContact CB-CE2 4.17Å; A617-Y621 WeakPolarHBondContact O-CD2 3.29Å; A617-Y621 PolarHBondContact O-N 3.32Å
618E86.2Confident84.9Confident95 Ų9539.4 Ų39.444%0.44421%0.208SC..Hα-helixtrans-59.7-39.3177.5-61.275.9-165.400112.3C254 T616 F620 Y621 E622C254-E618 HydrophobicContact CB-CB 4.43Å; T616-E618 WeakPolarHBondContact CB-OE2 3.47Å; T616-E618 PolarHBondContact O-N 3.18Å; T616-E618 PolarHBondContact OG1-N 2.97Å; T616-E618 PolarHBondContact OG1-OE2 3.4Å; E618-F620 VanDerWaalsContact C-N 3.29Å; E618-F620 PolarHBondContact O-N 2.77Å; E618-Y621 PolarHBondContact O-N 2.98Å; E618-E622 WeakPolarHBondContact O-CB 3.26Å; E618-E622 WeakPolarHBondContact O-CG 3.44Å; E618-E622 PolarHBondContact O-N 3.36Å
619Q86.6Confident85.1Confident59 Ų5939.3 Ų39.328%0.27621%0.207SC..Hα-helixtrans-63.6-34.8178.6-68.8176.8-17.700112.4S615 T616 A617 R623S615-Q619 VanDerWaalsContact CA-OE1 3.31Å; T616-Q619 WeakPolarHBondContact O-CB 3.17Å; T616-Q619 PolarHBondContact O-N 3.39Å; T616-Q619 VanDerWaalsContact O-N 3.1Å; T616-Q619 PolarHBondContact OG1-N 2.96Å; A617-Q619 VanDerWaalsContact C-N 3.32Å; A617-Q619 PolarHBondContact O-N 3.12Å; Q619-R623 WeakPolarHBondContact O-CB 3.44Å; Q619-R623 WeakPolarHBondContact O-CG 3.13Å; Q619-R623 PolarHBondContact O-N 2.88Å; Q619-R623 VanDerWaalsContact O-N 3.11Å
620F88.6Confident85.3Confident0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-68.3-40.4175.3-68.6-86.9000111.5V550 L558 V560 V589 L591 I610 T616 A617 E618 G624 V625V550-F620 HydrophobicContact CG1-CD1 3.72Å; V550-F620 HydrophobicContact CG1-CE1 3.61Å; L558-F620 HydrophobicContact CB-CE1 3.78Å; L558-F620 HydrophobicContact CB-CZ 4.03Å; V560-F620 HydrophobicContact CG2-CD1 4.37Å; V560-F620 HydrophobicContact CG2-CE1 3.92Å; V560-F620 HydrophobicContact CG2-CE2 4.35Å; V560-F620 HydrophobicContact CG2-CZ 3.91Å; V589-F620 HydrophobicContact CG1-CD2 4.44Å; V589-F620 HydrophobicContact CG1-CG 4.44Å; V589-F620 HydrophobicContact CG2-CB 4.02Å; V589-F620 HydrophobicContact CG2-CD2 4.48Å; V589-F620 HydrophobicContact CG2-CG 4.42Å; L591-F620 HydrophobicContact CD2-CB 4.39Å; I610-F620 HydrophobicContact CB-CE2 4.13Å; I610-F620 HydrophobicContact CG2-CD2 4.09Å; I610-F620 HydrophobicContact CG2-CE2 3.46Å; I610-F620 VanDerWaalsContact CG2-CE2 3.46Å; I610-F620 HydrophobicContact CG2-CZ 3.8Å; T616-F620 WeakPolarHBondContact O-CD2 3.31Å; A617-F620 PolarHBondContact O-N 3.04Å; E618-F620 VanDerWaalsContact C-N 3.29Å; E618-F620 PolarHBondContact O-N 2.77Å; F620-G624 PolarHBondContact O-N 2.78Å; F620-V625 HydrophobicContact CB-CB 4.43Å; F620-V625 HydrophobicContact CB-CG2 4.33Å; F620-V625 HydrophobicContact CD1-CG1 4.48Å; F620-V625 HydrophobicContact CD1-CG2 4.1Å; F620-V625 WeakPolarHBondContact O-CB 3.4Å; F620-V625 WeakPolarHBondContact O-CG2 3.45Å; F620-V625 PolarHBondContact O-N 3.04Å
621Y90.5Very high85.2Confident30 Ų3036.2 Ų36.212%0.11820%0.198CC..Hα-helixtrans-66.1-48.2174.8-61.2-55.6000111.3M250 L251 V589 N590 A617 E618 R623 G624M250-Y621 HydrophobicContact CE-CE1 3.7Å; M250-Y621 HydrophobicContact CE-CE2 3.83Å; M250-Y621 WeakPolarHBondContact CE-OH 3.16Å; M250-Y621 HydrophobicContact SD-CE1 4.48Å; L251-Y621 WeakPolarHBondContact CD1-O 3.32Å; V589-Y621 HydrophobicContact CG2-CE1 4.16Å; V589-Y621 HydrophobicContact CG2-CE2 4.12Å; N590-Y621 PolarHBondContact N-OH 3.25Å; N590-Y621 VanDerWaalsContact O-CE1 3.22Å; N590-Y621 WeakPolarHBondContact O-CE1 3.33Å; N590-Y621 PolarHBondContact O-OH 3.25Å; A617-Y621 HydrophobicContact CB-CE2 4.17Å; A617-Y621 WeakPolarHBondContact O-CD2 3.29Å; A617-Y621 PolarHBondContact O-N 3.32Å; E618-Y621 PolarHBondContact O-N 2.98Å; Y621-R623 VanDerWaalsContact C-N 3.25Å; Y621-R623 PolarHBondContact O-N 2.98Å; Y621-G624 WeakPolarHBondContact O-CA 3.23Å; Y621-G624 PolarHBondContact O-N 3.3Å
622E89.6Confident85.2Confident18 Ų1834.6 Ų34.68%0.08419%0.189CC..Hα-helixtrans-55.2-40178.5-75-176.3-173.800112R180 C254 F255 K258 G310 E618 G624R180-E622 PolarHBondContact NH1-O 2.87Å; R180-E622 PolarHBondContact NH2-O 3.43Å; C254-E622 HydrophobicContact CB-CG 4.38Å; F255-E622 HydrophobicContact CE1-CG 4Å; F255-E622 HydrophobicContact CZ-CB 4.4Å; F255-E622 HydrophobicContact CZ-CG 4.08Å; K258-E622 WeakPolarHBondContact CD-OE1 3.27Å; K258-E622 IonicContact NZ-OE1 2.74Å; K258-E622 PolarHBondContact NZ-OE1 2.75Å; K258-E622 IonicContact NZ-OE2 2.93Å; K258-E622 PolarHBondContact NZ-OE2 3.32Å; G310-E622 CarbonylContact O-C 3.52Å; E618-E622 WeakPolarHBondContact O-CB 3.26Å; E618-E622 WeakPolarHBondContact O-CG 3.44Å; E618-E622 PolarHBondContact O-N 3.36Å; E622-G624 PolarHBondContact O-N 2.88Å
623R87.8Confident84.7Confident73 Ų7332.9 Ų32.928%0.27518%0.179SC..THydrogen-bonded Turntrans-73.6-8.7175.6-74.9-174.3175.8-139.45.6114.6G310 V560 S561 Q619 Y621 V625G310-R623 WeakPolarHBondContact O-CA 3.43Å; G310-R623 VanDerWaalsContact O-CG 3.23Å; G310-R623 WeakPolarHBondContact O-CG 3.45Å; G310-R623 PolarHBondContact O-N 3.07Å; V560-R623 VanDerWaalsContact CG1-NH2 3.29Å; S561-R623 PolarHBondContact O-NH1 3.43Å; Q619-R623 WeakPolarHBondContact O-CB 3.44Å; Q619-R623 WeakPolarHBondContact O-CG 3.13Å; Q619-R623 PolarHBondContact O-N 2.88Å; Q619-R623 VanDerWaalsContact O-N 3.11Å; Y621-R623 VanDerWaalsContact C-N 3.25Å; Y621-R623 PolarHBondContact O-N 2.98Å; R623-V625 HydrophobicContact CB-CG2 4Å
624G86.6Confident83.9Confident9 Ų930.9 Ų30.99%0.09316%0.161CC..THydrogen-bonded Turntrans65.538.6-176.900000112.2R599 F620 Y621 E622 A626R599-G624 PolarHBondContact NH1-O 3.39Å; R599-G624 PolarHBondContact NH2-O 2.71Å; F620-G624 PolarHBondContact O-N 2.78Å; Y621-G624 WeakPolarHBondContact O-CA 3.23Å; Y621-G624 PolarHBondContact O-N 3.3Å; E622-G624 PolarHBondContact O-N 2.88Å; G624-A626 PolarHBondContact O-N 2.99Å
625V89.7Confident82.9Confident7 Ų728.8 Ų28.84%0.04215%0.15CC..  trans-64132.2-179.6176.60000110.2I547 V550 L591 F620 R623I547-V625 HydrophobicContact CD1-CG1 4.12Å; I547-V625 HydrophobicContact CG1-CG1 4.04Å; V550-V625 HydrophobicContact CG1-CB 4.36Å; V550-V625 HydrophobicContact CG1-CG1 3.73Å; V550-V625 HydrophobicContact CG1-CG2 3.65Å; V550-V625 HydrophobicContact CG2-CG1 4.24Å; L591-V625 HydrophobicContact CD1-CG1 3.76Å; L591-V625 HydrophobicContact CD2-CB 4.21Å; L591-V625 HydrophobicContact CD2-CG1 4.17Å; F620-V625 HydrophobicContact CB-CB 4.43Å; F620-V625 HydrophobicContact CB-CG2 4.33Å; F620-V625 HydrophobicContact CD1-CG1 4.48Å; F620-V625 HydrophobicContact CD1-CG2 4.1Å; F620-V625 WeakPolarHBondContact O-CB 3.4Å; F620-V625 WeakPolarHBondContact O-CG2 3.45Å; F620-V625 PolarHBondContact O-N 3.04Å; R623-V625 HydrophobicContact CB-CG2 4Å
626A90.9Very high83.1Confident1 Ų130 Ų301%0.00816%0.156CC..  trans-150.9153.7178.600000110.8M548 P592 Y594 G624M548-A626 PolarHBondContact N-O 3.35Å; P592-A626 HydrophobicContact CG-CB 3.9Å; Y594-A626 HydrophobicContact CD2-CB 3.83Å; Y594-A626 HydrophobicContact CE2-CB 3.81Å; G624-A626 PolarHBondContact O-N 2.99Å
627V92.2Very high83.1Confident0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-96.8141.3172.4-176.70000109L545 K546 I547 P592 V593 Y594 F608L545-V627 HydrophobicContact CB-CG1 4.04Å; L545-V627 HydrophobicContact CD1-CG1 4.39Å; L545-V627 HydrophobicContact CD2-CG1 4.37Å; L545-V627 HydrophobicContact CG-CG1 4.5Å; K546-V627 CarbonylContact O-C 3.54Å; K546-V627 WeakPolarHBondContact O-CA 3.44Å; I547-V627 HydrophobicContact CB-CG2 4.35Å; I547-V627 HydrophobicContact CD1-CG2 3.85Å; I547-V627 HydrophobicContact CG1-CG2 3.95Å; P592-V627 PolarHBondContact O-N 3.07Å; V593-V627 WeakPolarHBondContact CA-O 3.13Å; V593-V627 HydrophobicContact CB-CB 4.41Å; V593-V627 HydrophobicContact CG1-CB 4.26Å; V593-V627 HydrophobicContact CG1-CG1 4.13Å; V593-V627 HydrophobicContact CG2-CB 4.08Å; V593-V627 HydrophobicContact CG2-CG1 4.49Å; Y594-V627 PolarHBondContact N-O 2.84Å; F608-V627 HydrophobicContact CE2-CG2 3.98Å; F608-V627 HydrophobicContact CZ-CG2 3.79Å
628V92.5Very high83Confident2 Ų228.9 Ų28.91%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-123.9134.5176.1175.30000109.7L545 K546 W565 Y594 N630L545-V628 WeakPolarHBondContact CA-O 3.46Å; K546-V628 PolarHBondContact N-O 3.36Å; K546-V628 PolarHBondContact O-N 3.49Å; W565-V628 HydrophobicContact CH2-CB 4.08Å; W565-V628 HydrophobicContact CH2-CG2 3.65Å; W565-V628 HydrophobicContact CZ3-CB 4.05Å; W565-V628 HydrophobicContact CZ3-CG2 3.94Å; Y594-V628 WeakPolarHBondContact O-CA 3.39Å; V628-N630 WeakPolarHBondContact CG1-O 3.16Å
629C93.2Very high82.9Confident0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-87-24.3-178.8-62.30000114.1W491 G493 G544 L545 V593 Y594 L595 L603W491-C629 PolarHBondContact NE1-O 3.08Å; G493-C629 WeakPolarHBondContact CA-O 3.48Å; G544-C629 VanDerWaalsContact O-O 3.13Å; L545-C629 HydrophobicContact CD2-CB 3.99Å; L545-C629 WeakPolarHBondContact CD2-SG 3.49Å; V593-C629 WeakPolarHBondContact CG1-SG 3.48Å; Y594-C629 PolarHBondContact O-N 2.82Å; L595-C629 HydrophobicContact CD1-CB 4.42Å; L603-C629 HydrophobicContact CD1-CB 4.44Å
630N91.9Very high82.6Confident3 Ų322.9 Ų22.92%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-144.4134.5-176.1-169.2-36000111.1D463 R467 W491 G493 L595 Y596 V628 L632D463-N630 PolarHBondContact OD1-ND2 2.99Å; D463-N630 PolarHBondContact OD1-OD1 2.9Å; R467-N630 PolarHBondContact NH2-ND2 3.34Å; W491-N630 HydrophobicContact CZ2-CB 4.2Å; W491-N630 WeakPolarHBondContact CZ2-ND2 2.92Å; G493-N630 PolarHBondContact O-ND2 3.14Å; L595-N630 WeakPolarHBondContact O-CB 3.44Å; L595-N630 PolarHBondContact O-N 2.76Å; Y596-N630 HydrophobicContact CD1-CB 3.83Å; Y596-N630 HydrophobicContact CE1-CB 3.67Å; V628-N630 WeakPolarHBondContact CG1-O 3.16Å; N630-L632 VanDerWaalsContact OD1-CB 3.27Å; N630-L632 WeakPolarHBondContact OD1-CB 3.32Å; N630-L632 PolarHBondContact OD1-N 3.04Å
631T82.1Confident82.2Confident50 Ų5024.4 Ų24.431%0.30712%0.124SC..  trans-95.214-178.656.60000114K546 S633 E634K546-T631 HydrophobicContact CD-CG2 3.53Å; K546-T631 HydrophobicContact CG-CG2 4.24Å; T631-S633 PolarHBondContact O-N 3.19Å; T631-S633 VanDerWaalsContact O-N 3.11Å; T631-E634 VanDerWaalsContact CB-OE1 3.31Å; T631-E634 WeakPolarHBondContact CB-OE1 3.49Å; T631-E634 HydrophobicContact CG2-CG 4.21Å; T631-E634 WeakPolarHBondContact CG2-OE1 3Å; T631-E634 VanDerWaalsContact O-CG 3.23Å; T631-E634 WeakPolarHBondContact O-CG 3.48Å; T631-E634 PolarHBondContact O-N 3.19Å
632L80.8Confident81.6Confident12 Ų1224 Ų246%0.06313%0.125CC..THydrogen-bonded Turntrans-54119.8171178.560.2000109I451 T455 Q459 D463 Y596 N630I451-L632 HydrophobicContact CG2-CD2 4.34Å; T455-L632 HydrophobicContact CG2-CD1 3.75Å; T455-L632 HydrophobicContact CG2-CD2 4.06Å; T455-L632 HydrophobicContact CG2-CG 4.02Å; Q459-L632 HydrophobicContact CB-CD1 3.93Å; D463-L632 HydrophobicContact CB-CD1 3.8Å; D463-L632 HydrophobicContact CB-CD2 4.21Å; D463-L632 HydrophobicContact CB-CG 4.41Å; Y596-L632 HydrophobicContact CD1-CB 4.07Å; Y596-L632 HydrophobicContact CE1-CB 3.76Å; Y596-L632 HydrophobicContact CE1-CD2 4.02Å; Y596-L632 HydrophobicContact CE1-CG 4.42Å; N630-L632 VanDerWaalsContact OD1-CB 3.27Å; N630-L632 WeakPolarHBondContact OD1-CB 3.32Å; N630-L632 PolarHBondContact OD1-N 3.04Å
633S63.3Low81Confident30 Ų3024.5 Ų24.521%0.2113%0.128CC..THydrogen-bonded Turntrans5856.8-170.7-173.10000112.7T631 L635T631-S633 PolarHBondContact O-N 3.19Å; T631-S633 VanDerWaalsContact O-N 3.11Å; S633-L635 PolarHBondContact O-N 2.96Å
634E55.3Low80.5Confident90 Ų9020.4 Ų20.442%0.42112%0.116SC..  trans-44.5136.5168-70.2-166.2159.900110.5K546 T631K546-E634 IonicContact NZ-OE1 3.59Å; K546-E634 PolarHBondContact NZ-OE1 3.01Å; T631-E634 VanDerWaalsContact CB-OE1 3.31Å; T631-E634 WeakPolarHBondContact CB-OE1 3.49Å; T631-E634 HydrophobicContact CG2-CG 4.21Å; T631-E634 WeakPolarHBondContact CG2-OE1 3Å; T631-E634 VanDerWaalsContact O-CG 3.23Å; T631-E634 WeakPolarHBondContact O-CG 3.48Å; T631-E634 PolarHBondContact O-N 3.19Å
635L47.2Very low79.9Confident41 Ų4121.5 Ų21.522%0.21512%0.118CC..  trans-60.90174.3-70.5169.8000110.7P185 V318 L322 A597 S633P185-L635 HydrophobicContact CG-CD1 4.02Å; P185-L635 HydrophobicContact CG-CD2 4.4Å; V318-L635 HydrophobicContact CG1-CB 4.48Å; L322-L635 HydrophobicContact CD1-CB 4.05Å; L322-L635 HydrophobicContact CD1-CD2 3.92Å; L322-L635 HydrophobicContact CD1-CG 4.46Å; L322-L635 HydrophobicContact CD2-CB 3.9Å; L322-L635 HydrophobicContact CD2-CD2 3.73Å; L322-L635 HydrophobicContact CD2-CG 4.43Å; L322-L635 WeakPolarHBondContact CD2-OXT 3.48Å; L322-L635 HydrophobicContact CG-CB 4.19Å; L322-L635 HydrophobicContact CG-CD2 4.43Å; L322-L635 WeakPolarHBondContact CG-OXT 3.24Å; A597-L635 HydrophobicContact CB-CD1 3.84Å; A597-L635 HydrophobicContact CB-CG 3.79Å; A597-L635 WeakPolarHBondContact O-CD1 3.39Å; S633-L635 PolarHBondContact O-N 2.96Å

Retrieved 635 of 635 residues in 502.8 ms (Link to these results)

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