A0A087Y5D2_POEFO Loading...

Cell division protein kinase 5

AlphaFold DB (A0A3B3VNW7), UniProt , Accession A0A087Y5D2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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
1M56.7Low87.1Confident129 Ų12986.2 Ų86.264%0.63542%0.417SS*.  014.90-76.5-171.5-17300113.6K75M1-K75 HydrophobicContact CE-CD 4.22Å
2Q74.8Confident86.7Confident182 Ų18288.1 Ų88.185%0.8543%0.425SS*.  trans-78.1-29.6175-73.5175.9-6.800113.1R24Q2-R24 VanDerWaalsContact O-CD 3.23Å; Q2-R24 WeakPolarHBondContact O-CD 3.32Å; Q2-R24 PolarHBondContact O-NE 3.46Å
3K88.4Confident85.2Confident76 Ų7684.8 Ų84.833%0.3343%0.428SS..SBendtrans-71.6-29-175.9-169.7174.7-179.5-175.40115.5R24 D68K3-R24 PolarHBondContact O-N 3.49Å; K3-D68 IonicContact NZ-OD2 3.62Å
4Y93.4Very high83.8Confident22 Ų2288.3 Ų88.39%0.08646%0.456CS..EExtended strand (participates in β ladder)trans-123.2127.7-175.1-62-83.2000111.7K22 N23 V30 L32 L70 V79Y4-K22 WeakPolarHBondContact CA-O 3.47Å; Y4-N23 HydrophobicContact CD1-CB 4.02Å; Y4-N23 HydrophobicContact CE1-CB 3.79Å; Y4-V30 HydrophobicContact CD1-CG2 3.62Å; Y4-V30 HydrophobicContact CE1-CG1 4.39Å; Y4-V30 HydrophobicContact CE1-CG2 3.76Å; Y4-L32 HydrophobicContact CD1-CD2 4.45Å; Y4-L32 HydrophobicContact CG-CD2 4.29Å; Y4-L70 HydrophobicContact CD2-CD1 3.8Å; Y4-L70 HydrophobicContact CE2-CD1 3.75Å; Y4-V79 HydrophobicContact CE1-CG1 3.94Å; Y4-V79 HydrophobicContact CE2-CG2 4.02Å
5E94.3Very high82.7Confident73 Ų7387.3 Ų87.334%0.34145%0.445SS..EExtended strand (participates in β ladder)trans-89.3117.7172.1179.7158.9-111.800110.2L7 A21 K22 R24E5-L7 HydrophobicContact CG-CD2 4.31Å; E5-A21 CarbonylContact O-C 3.44Å; E5-A21 WeakPolarHBondContact O-CA 3.49Å; E5-A21 WeakPolarHBondContact O-CB 3.34Å; E5-K22 HydrophobicContact CB-CB 4.5Å; E5-K22 PolarHBondContact N-O 3.06Å; E5-K22 PolarHBondContact O-N 3.49Å; E5-R24 HydrophobicContact CB-CG 4.32Å; E5-R24 VanDerWaalsContact CD-NH1 3.33Å; E5-R24 IonicContact OE1-CZ 3.93Å; E5-R24 IonicContact OE1-NH1 3.57Å; E5-R24 PolarHBondContact OE1-NH1 3.26Å; E5-R24 IonicContact OE1-NH2 3.34Å; E5-R24 PolarHBondContact OE1-NH2 2.93Å; E5-R24 IonicContact OE2-NH1 2.94Å
6K94.1Very high82.5Confident87 Ų8782.1 Ų82.138%0.37842%0.419SS..EExtended strand (participates in β ladder)trans-73.3132.9175.8-65.4177.5-172.4163.20109.6L32K6-L32 HydrophobicContact CG-CD1 4.42Å
7L94.9Very high82.8Confident88 Ų8878.5 Ų78.546%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-102.7-62.2178.8-58.3179.7000110.5E5 K20 K22 I29E5-L7 HydrophobicContact CG-CD2 4.31Å; L7-K20 HydrophobicContact CD1-CD 4.47Å; L7-K20 HydrophobicContact CD1-CG 4.3Å; L7-K20 PolarHBondContact N-O 3.25Å; L7-K22 HydrophobicContact CD1-CB 4.3Å; L7-I29 HydrophobicContact CD1-CD1 4.02Å
8E94.8Very high83.3Confident96 Ų9676.1 Ų76.145%0.44939%0.392SS..EExtended strand (participates in β ladder)trans-147.5154.4-174.858.5-177.3158.400111.7I10 F19 K20E8-I10 HydrophobicContact CG-CG2 3.92Å; E8-F19 CarbonylContact O-C 3.37Å; E8-F19 VanDerWaalsContact O-CA 3.27Å; E8-F19 WeakPolarHBondContact O-CA 3.19Å; E8-K20 HydrophobicContact CG-CB 3.77Å; E8-K20 HydrophobicContact CG-CD 3.94Å; E8-K20 PolarHBondContact N-O 2.73Å; E8-K20 PolarHBondContact O-N 2.82Å; E8-K20 WeakPolarHBondContact OE1-CD 3.22Å; E8-K20 IonicContact OE1-NZ 3.81Å; E8-K20 PolarHBondContact OE1-NZ 3.26Å
9K93.8Very high83.9Confident115 Ų11574.1 Ų74.150%0.538%0.38SS..EExtended strand (participates in β ladder)trans-83.4120.1170.8-179.6-178.8171.2-178.50107.9E12 T17 F19K9-E12 IonicContact NZ-OE2 2.83Å; K9-E12 PolarHBondContact NZ-OE2 2.82Å; K9-T17 HydrophobicContact CD-CG2 3.88Å; K9-T17 HydrophobicContact CG-CG2 3.88Å; K9-F19 HydrophobicContact CB-CD1 4Å; K9-F19 HydrophobicContact CB-CE1 3.89Å; K9-F19 HydrophobicContact CG-CE1 4.23Å
10I89.4Confident84.5Confident52 Ų5272 Ų7227%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-104.1-15.8-176.161176000113.6E8 V18 K20 A31 Y82E8-I10 HydrophobicContact CG-CG2 3.92Å; I10-V18 HydrophobicContact CD1-CG1 3.73Å; I10-V18 HydrophobicContact CG1-CB 3.98Å; I10-V18 HydrophobicContact CG1-CG1 3.68Å; I10-V18 PolarHBondContact N-O 2.84Å; I10-K20 HydrophobicContact CG2-CB 3.81Å; I10-A31 HydrophobicContact CD1-CB 4.43Å; I10-Y82 HydrophobicContact CD1-CD2 4.4Å; I10-Y82 HydrophobicContact CD1-CE2 4.09Å
11G83.1Confident85.1Confident28 Ų2868.6 Ų68.629%0.28935%0.35SS..EExtended strand (participates in β ladder)trans-173.4165.3177.400000114V18G11-V18 PolarHBondContact N-O 3.01Å; G11-V18 PolarHBondContact O-N 3.32Å
12E82.1Confident87Confident109 Ų10965.7 Ų65.751%0.50933%0.334SS..EExtended strand (participates in β ladder)trans-135118170.3-173.1165.8179.400107.2K9 R36K9-E12 IonicContact NZ-OE2 2.83Å; K9-E12 PolarHBondContact NZ-OE2 2.82Å; E12-R36 IonicContact OE1-CZ 2.91Å; E12-R36 IonicContact OE1-NH2 2.81Å; E12-R36 PolarHBondContact OE1-NH2 3Å
13G67.5Low88Confident46 Ų4657.5 Ų57.547%0.47430%0.296SS..EExtended strand (participates in β ladder)trans-111.2176.8178.200000110.9Y15 G16G13-Y15 PolarHBondContact O-N 3.22Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; G13-G16 PolarHBondContact N-O 2.88Å; G13-G16 PolarHBondContact O-N 2.7Å; G13-G16 VanDerWaalsContact O-N 3.14Å
14T65.2Low88.3Confident133 Ų13359.9 Ų59.982%0.81630%0.303SS*.THydrogen-bonded Turntrans-53.4-35.4-179-49.10000113.1
15Y67.3Low88.3Confident74 Ų7465.7 Ų65.729%0.2933%0.331SS..THydrogen-bonded Turntrans-102.65-173.9-54.2-73.6000114G13 V35 R36G13-Y15 PolarHBondContact O-N 3.22Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; Y15-V35 WeakPolarHBondContact O-CA 3.04Å; Y15-R36 PolarHBondContact O-N 3.36Å
16G79.6Confident88.3Confident3 Ų366 Ų663%0.03134%0.338CS..EExtended strand (participates in β ladder)trans146.3-160.6174.200000115.7G13 R34G13-G16 PolarHBondContact N-O 2.88Å; G13-G16 PolarHBondContact O-N 2.7Å; G13-G16 VanDerWaalsContact O-N 3.14Å; G16-R34 VanDerWaalsContact CA-O 3.29Å; G16-R34 WeakPolarHBondContact CA-O 3.49Å
17T88.8Confident88.3Confident21 Ų2167.7 Ų67.713%0.12935%0.347CS..EExtended strand (participates in β ladder)trans-112.5134.6-169.6-50.70000111.6K9 F19 R34K9-T17 HydrophobicContact CD-CG2 3.88Å; K9-T17 HydrophobicContact CG-CG2 3.88Å; T17-F19 HydrophobicContact CG2-CD2 4.14Å; T17-F19 HydrophobicContact CG2-CE1 4.35Å; T17-F19 HydrophobicContact CG2-CE2 3.39Å; T17-F19 HydrophobicContact CG2-CZ 3.52Å; T17-R34 PolarHBondContact N-O 3.07Å; T17-R34 PolarHBondContact O-N 3.42Å
18V91.5Very high88.3Confident35 Ų3568 Ų6821%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-105.5128.5-179.9-166.30000110.2I10 G11 A31 L32 K33I10-V18 HydrophobicContact CD1-CG1 3.73Å; I10-V18 HydrophobicContact CG1-CB 3.98Å; I10-V18 HydrophobicContact CG1-CG1 3.68Å; I10-V18 PolarHBondContact N-O 2.84Å; G11-V18 PolarHBondContact N-O 3.01Å; G11-V18 PolarHBondContact O-N 3.32Å; V18-A31 HydrophobicContact CG1-CB 4.36Å; V18-L32 CarbonylContact C-O 3.59Å; V18-L32 WeakPolarHBondContact CA-O 3.34Å; V18-K33 HydrophobicContact CG2-CB 4.4Å; V18-K33 HydrophobicContact CG2-CG 4.19Å
19F94.1Very high88.4Confident38 Ų3866.3 Ų66.317%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-119.6141.8176.9-62.1-93.1000110.5E8 K9 T17 A31 L32 R34E8-F19 CarbonylContact O-C 3.37Å; E8-F19 VanDerWaalsContact O-CA 3.27Å; E8-F19 WeakPolarHBondContact O-CA 3.19Å; K9-F19 HydrophobicContact CB-CD1 4Å; K9-F19 HydrophobicContact CB-CE1 3.89Å; K9-F19 HydrophobicContact CG-CE1 4.23Å; T17-F19 HydrophobicContact CG2-CD2 4.14Å; T17-F19 HydrophobicContact CG2-CE1 4.35Å; T17-F19 HydrophobicContact CG2-CE2 3.39Å; T17-F19 HydrophobicContact CG2-CZ 3.52Å; F19-A31 CarbonylContact O-C 3.54Å; F19-A31 WeakPolarHBondContact O-CA 3.37Å; F19-L32 HydrophobicContact CB-CB 4.4Å; F19-L32 PolarHBondContact N-O 3.43Å; F19-L32 PolarHBondContact O-N 2.92Å; F19-R34 HydrophobicContact CD2-CG 4.36Å; F19-R34 HydrophobicContact CE2-CG 4.42Å
20K95.8Very high88.5Confident33 Ų3360.9 Ų60.914%0.14332%0.316CS..EExtended strand (participates in β ladder)trans-77136.1159.8-174.3-177-172.9167.10108.6L7 E8 I10 I29 Y82L7-K20 HydrophobicContact CD1-CD 4.47Å; L7-K20 HydrophobicContact CD1-CG 4.3Å; L7-K20 PolarHBondContact N-O 3.25Å; E8-K20 HydrophobicContact CG-CB 3.77Å; E8-K20 HydrophobicContact CG-CD 3.94Å; E8-K20 PolarHBondContact N-O 2.73Å; E8-K20 PolarHBondContact O-N 2.82Å; E8-K20 WeakPolarHBondContact OE1-CD 3.22Å; E8-K20 IonicContact OE1-NZ 3.81Å; E8-K20 PolarHBondContact OE1-NZ 3.26Å; I10-K20 HydrophobicContact CG2-CB 3.81Å; K20-I29 HydrophobicContact CD-CG2 4.34Å; K20-I29 HydrophobicContact CG-CG2 3.83Å; K20-Y82 HydrophobicContact CB-CD2 4.44Å; K20-Y82 HydrophobicContact CB-CE2 4.1Å; K20-Y82 HydrophobicContact CD-CD2 4.42Å; K20-Y82 HydrophobicContact CD-CE1 4.46Å; K20-Y82 HydrophobicContact CD-CE2 3.75Å; K20-Y82 HydrophobicContact CG-CD2 3.95Å; K20-Y82 HydrophobicContact CG-CE2 3.71Å; K20-Y82 PolarHBondContact NZ-OH 3.4Å; K20-Y82 VanDerWaalsContact NZ-OH 3.15Å
21A96.7Very high88.8Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-141.6163.3179.500000111.2E5 I29 V30 L32E5-A21 CarbonylContact O-C 3.44Å; E5-A21 WeakPolarHBondContact O-CA 3.49Å; E5-A21 WeakPolarHBondContact O-CB 3.34Å; A21-I29 WeakPolarHBondContact O-CA 3.43Å; A21-V30 HydrophobicContact CB-CG2 4.03Å; A21-V30 PolarHBondContact N-O 3.35Å; A21-V30 PolarHBondContact O-N 3.4Å; A21-L32 HydrophobicContact CB-CD1 3.41Å; A21-L32 VanDerWaalsContact CB-CD1 3.41Å; A21-L32 HydrophobicContact CB-CD2 4.49Å; A21-L32 HydrophobicContact CB-CG 3.65Å
22K96.9Very high89.3Confident69 Ų6958 Ų5830%0.330%0.296SS..EExtended strand (participates in β ladder)trans-113.6129.3173.4-171.4175.1-177.3-177.80109.3Y4 E5 L7 R24 H27 E28 I29Y4-K22 WeakPolarHBondContact CA-O 3.47Å; E5-K22 HydrophobicContact CB-CB 4.5Å; E5-K22 PolarHBondContact N-O 3.06Å; E5-K22 PolarHBondContact O-N 3.49Å; L7-K22 HydrophobicContact CD1-CB 4.3Å; K22-R24 PolarHBondContact O-N 2.94Å; K22-H27 VanDerWaalsContact CE-CB 3.49Å; K22-H27 VanDerWaalsContact CE-O 3.32Å; K22-H27 WeakPolarHBondContact CE-O 3.43Å; K22-E28 CarbonylContact C-O 3.54Å; K22-E28 WeakPolarHBondContact CA-O 3.23Å; K22-I29 HydrophobicContact CB-CD1 4.06Å; K22-I29 HydrophobicContact CD-CD1 4.39Å; K22-I29 HydrophobicContact CG-CD1 4.05Å
23N95.4Very high89.7Confident9 Ų954 Ų545%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-66.6124.3168.2-174.4-25.5000108.6Y4 E25 T26 H27 E28Y4-N23 HydrophobicContact CD1-CB 4.02Å; Y4-N23 HydrophobicContact CE1-CB 3.79Å; N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 3.03Å; N23-E25 PolarHBondContact OD1-N 3.3Å; N23-T26 WeakPolarHBondContact CB-OG1 3.45Å; N23-T26 VanDerWaalsContact CG-OG1 3.26Å; N23-T26 PolarHBondContact ND2-OG1 2.83Å; N23-T26 PolarHBondContact OD1-N 3.47Å; N23-H27 WeakPolarHBondContact O-CA 3.26Å; N23-H27 PolarHBondContact O-N 3.31Å; N23-E28 PolarHBondContact N-O 2.98Å
24R94.6Very high90.7Very high127 Ų12754.7 Ų54.748%0.47927%0.265SS..THydrogen-bonded Turntrans-68.7-26.8-177-67.4-164.3-177.7-82.9-2.1112.9Q2 K3 E5 K22Q2-R24 VanDerWaalsContact O-CD 3.23Å; Q2-R24 WeakPolarHBondContact O-CD 3.32Å; Q2-R24 PolarHBondContact O-NE 3.46Å; K3-R24 PolarHBondContact O-N 3.49Å; E5-R24 HydrophobicContact CB-CG 4.32Å; E5-R24 VanDerWaalsContact CD-NH1 3.33Å; E5-R24 IonicContact OE1-CZ 3.93Å; E5-R24 IonicContact OE1-NH1 3.57Å; E5-R24 PolarHBondContact OE1-NH1 3.26Å; E5-R24 IonicContact OE1-NH2 3.34Å; E5-R24 PolarHBondContact OE1-NH2 2.93Å; E5-R24 IonicContact OE2-NH1 2.94Å; K22-R24 PolarHBondContact O-N 2.94Å
25E93.6Very high91.6Very high144 Ų14448.8 Ų48.867%0.67323%0.229SC*.THydrogen-bonded Turntrans-86.9-50.1-177.8-65.5168.9-178.800111.8N23N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 3.03Å; N23-E25 PolarHBondContact OD1-N 3.3Å
26T94.8Very high91.9Very high80 Ų8052 Ų5249%0.49124%0.241SC..THydrogen-bonded Turntrans-92.6-10.1-175.265.80000113.6N23 E28N23-T26 WeakPolarHBondContact CB-OG1 3.45Å; N23-T26 VanDerWaalsContact CG-OG1 3.26Å; N23-T26 PolarHBondContact ND2-OG1 2.83Å; N23-T26 PolarHBondContact OD1-N 3.47Å; T26-E28 PolarHBondContact O-N 3.19Å; T26-E28 VanDerWaalsContact OG1-CB 3.28Å; T26-E28 WeakPolarHBondContact OG1-CB 3.49Å; T26-E28 PolarHBondContact OG1-N 3.47Å
27H94.4Very high91.6Very high122 Ų12253.4 Ų53.457%0.56525%0.248SC*.  trans59.38.6-171-61.1-43.6000115.7K22 N23K22-H27 VanDerWaalsContact CE-CB 3.49Å; K22-H27 VanDerWaalsContact CE-O 3.32Å; K22-H27 WeakPolarHBondContact CE-O 3.43Å; N23-H27 WeakPolarHBondContact O-CA 3.26Å; N23-H27 PolarHBondContact O-N 3.31Å
28E94.8Very high90.5Very high93 Ų9358.1 Ų58.144%0.43527%0.272SS..  trans-68.6142.1177.7-172.3178.8-169.100111.8K22 N23 T26 V30K22-E28 CarbonylContact C-O 3.54Å; K22-E28 WeakPolarHBondContact CA-O 3.23Å; N23-E28 PolarHBondContact N-O 2.98Å; T26-E28 PolarHBondContact O-N 3.19Å; T26-E28 VanDerWaalsContact OG1-CB 3.28Å; T26-E28 WeakPolarHBondContact OG1-CB 3.49Å; T26-E28 PolarHBondContact OG1-N 3.47Å; E28-V30 HydrophobicContact CG-CG1 4.42Å
29I96.6Very high88.9Confident61 Ų6162 Ų6231%0.31329%0.291SS..EExtended strand (participates in β ladder)trans-87.9129.3174.8-57.1-60.1000109.4L7 K20 A21 K22 Y82L7-I29 HydrophobicContact CD1-CD1 4.02Å; K20-I29 HydrophobicContact CD-CG2 4.34Å; K20-I29 HydrophobicContact CG-CG2 3.83Å; A21-I29 WeakPolarHBondContact O-CA 3.43Å; K22-I29 HydrophobicContact CB-CD1 4.06Å; K22-I29 HydrophobicContact CD-CD1 4.39Å; K22-I29 HydrophobicContact CG-CD1 4.05Å; I29-Y82 HydrophobicContact CG2-CD1 3.71Å; I29-Y82 HydrophobicContact CG2-CD2 4.29Å; I29-Y82 HydrophobicContact CG2-CE1 4.32Å; I29-Y82 HydrophobicContact CG2-CG 3.68Å; I29-Y82 WeakPolarHBondContact O-CB 3.39Å
30V96.4Very high87.2Confident2 Ų266.7 Ų66.71%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-132.2162.3-176.3-60.60000111.3Y4 A21 E28 L32 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.62Å; Y4-V30 HydrophobicContact CE1-CG1 4.39Å; Y4-V30 HydrophobicContact CE1-CG2 3.76Å; A21-V30 HydrophobicContact CB-CG2 4.03Å; A21-V30 PolarHBondContact N-O 3.35Å; A21-V30 PolarHBondContact O-N 3.4Å; E28-V30 HydrophobicContact CG-CG1 4.42Å; V30-L32 HydrophobicContact CG2-CD2 4.05Å; V30-L32 HydrophobicContact CG2-CG 4.47Å; V30-V79 HydrophobicContact CB-CG1 3.98Å; V30-V79 HydrophobicContact CG1-CG1 4.16Å; V30-V79 HydrophobicContact CG2-CG1 4.04Å; V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 WeakPolarHBondContact CB-O 3.49Å
31A95.7Very high85.2Confident12 Ų1273 Ų7310%0.09935%0.354CS..EExtended strand (participates in β ladder)trans-104.2127.2169.300000110.6I10 V18 F19 F80I10-A31 HydrophobicContact CD1-CB 4.43Å; V18-A31 HydrophobicContact CG1-CB 4.36Å; F19-A31 CarbonylContact O-C 3.54Å; F19-A31 WeakPolarHBondContact O-CA 3.37Å; A31-F80 HydrophobicContact CB-CB 4.18Å; A31-F80 PolarHBondContact N-O 2.89Å; A31-F80 PolarHBondContact O-N 3.49Å
32L93.9Very high83.6Confident7 Ų782 Ų824%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-105.1105177.8-57.8-177.6000109.8Y4 K6 V18 F19 A21 V30 T77 L78 V79Y4-L32 HydrophobicContact CD1-CD2 4.45Å; Y4-L32 HydrophobicContact CG-CD2 4.29Å; K6-L32 HydrophobicContact CG-CD1 4.42Å; V18-L32 CarbonylContact C-O 3.59Å; V18-L32 WeakPolarHBondContact CA-O 3.34Å; F19-L32 HydrophobicContact CB-CB 4.4Å; F19-L32 PolarHBondContact N-O 3.43Å; F19-L32 PolarHBondContact O-N 2.92Å; A21-L32 HydrophobicContact CB-CD1 3.41Å; A21-L32 VanDerWaalsContact CB-CD1 3.41Å; A21-L32 HydrophobicContact CB-CD2 4.49Å; A21-L32 HydrophobicContact CB-CG 3.65Å; V30-L32 HydrophobicContact CG2-CD2 4.05Å; V30-L32 HydrophobicContact CG2-CG 4.47Å; L32-T77 HydrophobicContact CB-CG2 3.94Å; L32-T77 HydrophobicContact CD2-CG2 4.18Å; L32-T77 HydrophobicContact CG-CG2 4.48Å; L32-L78 WeakPolarHBondContact CA-O 3.5Å; L32-V79 HydrophobicContact CD2-CB 4.23Å; L32-V79 HydrophobicContact CD2-CG1 4.01Å; L32-V79 HydrophobicContact CD2-CG2 3.77Å
33K91Very high82.3Confident26 Ų2680.8 Ų80.811%0.11340%0.403CS..EExtended strand (participates in β ladder)trans-88.8104.8171.7-172178.5-172.5-173.20108.3V18 E51 T77 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.4Å; V18-K33 HydrophobicContact CG2-CG 4.19Å; K33-E51 VanDerWaalsContact NZ-CD 3.27Å; K33-E51 IonicContact NZ-OE1 2.98Å; K33-E51 PolarHBondContact NZ-OE1 3.3Å; K33-E51 IonicContact NZ-OE2 3.44Å; K33-E51 PolarHBondContact NZ-OE2 2.93Å; K33-T77 WeakPolarHBondContact O-CA 3.18Å; K33-L78 HydrophobicContact CB-CB 4.28Å; K33-L78 HydrophobicContact CD-CD1 4.48Å; K33-L78 PolarHBondContact N-O 2.96Å; K33-L78 PolarHBondContact O-N 2.96Å; K33-F80 HydrophobicContact CB-CD2 4.18Å; K33-F80 HydrophobicContact CB-CE2 3.93Å; K33-F80 HydrophobicContact CD-CE2 4.09Å; K33-D144 IonicContact NZ-OD1 2.9Å; K33-D144 PolarHBondContact NZ-OD1 3.45Å
34R88.6Confident81.2Confident59 Ų5982.4 Ų82.422%0.22341%0.413CS..EExtended strand (participates in β ladder)trans-88.7113.2177.4-68.7-175.362.1-151.9-10109.2G16 T17 F19 T77G16-R34 VanDerWaalsContact CA-O 3.29Å; G16-R34 WeakPolarHBondContact CA-O 3.49Å; T17-R34 PolarHBondContact N-O 3.07Å; T17-R34 PolarHBondContact O-N 3.42Å; F19-R34 HydrophobicContact CD2-CG 4.36Å; F19-R34 HydrophobicContact CE2-CG 4.42Å; R34-T77 HydrophobicContact CG-CG2 3.98Å
35V83.5Confident80.3Confident9 Ų978.2 Ų78.26%0.05540%0.402CS..EExtended strand (participates in β ladder)trans-78.7132.5176.3-174.40000108.5Y15 L37 P45 A48 L76 L78Y15-V35 WeakPolarHBondContact O-CA 3.04Å; V35-L37 HydrophobicContact CG1-CD2 4.43Å; V35-P45 HydrophobicContact CG1-CG 4.06Å; V35-A48 HydrophobicContact CG1-CB 4.1Å; V35-A48 HydrophobicContact CG2-CB 4.19Å; V35-L76 HydrophobicContact CB-CB 4.2Å; V35-L76 HydrophobicContact CG2-CD2 4.36Å; V35-L76 PolarHBondContact N-O 3.42Å; V35-L78 HydrophobicContact CG2-CG 4.45Å
36R73Confident79.5Confident143 Ų14375.4 Ų75.454%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-75.2123.8170-65.4-177-175.7169.96107.5E12 Y15E12-R36 IonicContact OE1-CZ 2.91Å; E12-R36 IonicContact OE1-NH2 2.81Å; E12-R36 PolarHBondContact OE1-NH2 3Å; Y15-R36 PolarHBondContact O-N 3.36Å
37L73Confident78.4Confident32 Ų3272.4 Ų72.417%0.16838%0.381CS..PPolyproline II helixtrans-98.3120.5167.2-56.2-175.9000104.7V35 V44 L76V35-L37 HydrophobicContact CG1-CD2 4.43Å; L37-V44 HydrophobicContact CD2-CB 4.36Å; L37-V44 HydrophobicContact CD2-CG1 4.5Å; L37-V44 HydrophobicContact CD2-CG2 4.09Å; L37-L76 HydrophobicContact CD2-CB 4.42Å
38D65.2Low77.5Confident119 Ų11966.7 Ų66.764%0.63636%0.355SS*.PPolyproline II helixtrans-69.1147.4175.5-65-35.8000108.9D40D38-D40 PolarHBondContact O-N 2.86Å
39D59.7Low76.8Confident117 Ų11766.6 Ų66.663%0.62636%0.357SS*.SBendtrans-74.1-2.7-179-78.8-49.1000112.6D41 K74D39-D41 VanDerWaalsContact C-N 3.34Å; D39-D41 PolarHBondContact O-N 2.88Å; D39-K74 IonicContact OD1-NZ 2.7Å; D39-K74 PolarHBondContact OD1-NZ 3.07Å
40D58.4Low76Confident137 Ų13767.6 Ų67.673%0.73336%0.357SS*.SBendtrans-88.338.9-172-68.9-23.6000114.4D38 E42D38-D40 PolarHBondContact O-N 2.86Å; D40-E42 PolarHBondContact O-N 3.39Å
41D54Low75.2Confident166 Ų16667.8 Ų67.889%0.88836%0.357SS*.SBendtrans60.5-2.2171.8-78.2-31.6000118.4D39 G43D39-D41 VanDerWaalsContact C-N 3.34Å; D39-D41 PolarHBondContact O-N 2.88Å; D41-G43 PolarHBondContact O-N 3.21Å
42E62Low74.7Confident187 Ų18767.9 Ų67.987%0.87436%0.356SS*.  trans-75.4-5.6178.9-68.8-159.4165.500114.6D40D40-E42 PolarHBondContact O-N 3.39Å
43G69.2Low74.4Confident44 Ų4471.6 Ų71.645%0.45438%0.381SS..  trans70.3-143.1173.800000114D41D41-G43 PolarHBondContact O-N 3.21Å
44V73.4Confident74.2Confident43 Ų4371.3 Ų71.326%0.26138%0.381SS..SBendtrans-77.8127.8-177.9-1800000110.5L37 S46 A48 L49 L76L37-V44 HydrophobicContact CD2-CB 4.36Å; L37-V44 HydrophobicContact CD2-CG1 4.5Å; L37-V44 HydrophobicContact CD2-CG2 4.09Å; V44-S46 PolarHBondContact O-N 2.94Å; V44-A48 HydrophobicContact CG1-CB 4.17Å; V44-L49 HydrophobicContact CB-CD1 4.48Å; V44-L49 HydrophobicContact CB-CD2 4.41Å; V44-L49 HydrophobicContact CB-CG 4.29Å; V44-L49 HydrophobicContact CG1-CD1 4.5Å; V44-L49 HydrophobicContact CG1-CD2 3.93Å; V44-L49 HydrophobicContact CG1-CG 3.8Å; V44-L76 HydrophobicContact CG1-CD2 3.49Å; V44-L76 VanDerWaalsContact CG1-CD2 3.49Å; V44-L76 HydrophobicContact CG2-CD2 4.39Å
45P74.8Confident74.2Confident40 Ų4068.6 Ų68.626%0.2637%0.371SS..  trans-54.1134.4178-27.433.9000112.8V35 S47 A48 L49V35-P45 HydrophobicContact CG1-CG 4.06Å; P45-S47 PolarHBondContact O-N 3.14Å; P45-S47 VanDerWaalsContact O-N 3.14Å; P45-A48 HydrophobicContact CB-CB 4.41Å; P45-A48 WeakPolarHBondContact O-CB 3.2Å; P45-A48 PolarHBondContact O-N 3.38Å; P45-L49 PolarHBondContact O-N 2.94Å
46S76.5Confident74.4Confident85 Ų8574 Ų7459%0.59439%0.394SS*.Hα-helixtrans-59.3-28.3-179.567.30000113.5V44 R50V44-S46 PolarHBondContact O-N 2.94Å; S46-R50 WeakPolarHBondContact O-CB 3.35Å; S46-R50 PolarHBondContact O-N 2.9Å
47S72.8Confident75.2Confident16 Ų1673.9 Ų73.911%0.11240%0.4CS..Hα-helixtrans-65.1-40.5172.752.20000112.2P45 R50 E51P45-S47 PolarHBondContact O-N 3.14Å; P45-S47 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact O-N 3.5Å; S47-E51 WeakPolarHBondContact O-CB 3.5Å; S47-E51 PolarHBondContact O-N 3.34Å
48A75.9Confident76.2Confident3 Ų372.5 Ų72.53%0.02539%0.392CS..Hα-helixtrans-69.2-43.7178.900000111.7V35 V44 P45 R50 E51 I52 L76V35-A48 HydrophobicContact CG1-CB 4.1Å; V35-A48 HydrophobicContact CG2-CB 4.19Å; V44-A48 HydrophobicContact CG1-CB 4.17Å; P45-A48 HydrophobicContact CB-CB 4.41Å; P45-A48 WeakPolarHBondContact O-CB 3.2Å; P45-A48 PolarHBondContact O-N 3.38Å; A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 2.87Å; A48-E51 PolarHBondContact O-N 3.05Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 2.88Å; A48-L76 HydrophobicContact CB-CD2 4.33Å
49L80.1Confident77.6Confident90 Ų9072.7 Ų72.747%0.47139%0.387SS..Hα-helixtrans-60.9-41.9174.1-69.2176.9000111.5V44 P45 I52 C53V44-L49 HydrophobicContact CB-CD1 4.48Å; V44-L49 HydrophobicContact CB-CD2 4.41Å; V44-L49 HydrophobicContact CB-CG 4.29Å; V44-L49 HydrophobicContact CG1-CD1 4.5Å; V44-L49 HydrophobicContact CG1-CD2 3.93Å; V44-L49 HydrophobicContact CG1-CG 3.8Å; P45-L49 PolarHBondContact O-N 2.94Å; L49-I52 PolarHBondContact O-N 3.47Å; L49-C53 WeakPolarHBondContact O-CB 3.29Å; L49-C53 PolarHBondContact O-N 2.93Å; L49-C53 PolarHBondContact O-SG 2.77Å
50R79.1Confident79.4Confident83 Ų8369 Ų6931%0.31337%0.367SS..Hα-helixtrans-62.6-46.8176.5-171.2-177.2-55.1131.66112.1S46 S47 A48 I52 C53 L54 A148S46-R50 WeakPolarHBondContact O-CB 3.35Å; S46-R50 PolarHBondContact O-N 2.9Å; S47-R50 PolarHBondContact O-N 3.5Å; A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 2.87Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 2.8Å; R50-C53 PolarHBondContact O-N 2.95Å; R50-L54 HydrophobicContact CG-CD1 3.95Å; R50-L54 HydrophobicContact CG-CG 4.38Å; R50-L54 WeakPolarHBondContact O-CB 3.25Å; R50-L54 WeakPolarHBondContact O-CG 3.44Å; R50-L54 PolarHBondContact O-N 3.5Å; R50-A148 WeakPolarHBondContact CD-O 3.4Å
51E80Confident81.2Confident5 Ų567.1 Ų67.12%0.02335%0.352CS..Hα-helixtrans-56.4-46.4176.3179.1169.5-156.200110.5K33 S47 A48 L54 L55 F145K33-E51 VanDerWaalsContact NZ-CD 3.27Å; K33-E51 IonicContact NZ-OE1 2.98Å; K33-E51 PolarHBondContact NZ-OE1 3.3Å; K33-E51 IonicContact NZ-OE2 3.44Å; K33-E51 PolarHBondContact NZ-OE2 2.93Å; S47-E51 WeakPolarHBondContact O-CB 3.5Å; S47-E51 PolarHBondContact O-N 3.34Å; A48-E51 PolarHBondContact O-N 3.05Å; E51-L54 PolarHBondContact O-N 2.93Å; E51-L55 HydrophobicContact CG-CD1 3.52Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 VanDerWaalsContact O-CB 3.29Å; E51-L55 WeakPolarHBondContact O-CB 3.37Å; E51-L55 WeakPolarHBondContact O-CD1 3.3Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.28Å; E51-L55 PolarHBondContact O-N 3.26Å; E51-F145 HydrophobicContact CG-CB 4.36Å
52I85.5Confident83.3Confident15 Ų1559.2 Ų59.28%0.07731%0.31CS..Hα-helixtrans-59.6-50.5175.6-65.8160.8000111.7A48 L49 R50 L54 L55 K56 L66 V69 L76 L78A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 3.3Å; A48-I52 PolarHBondContact O-N 2.88Å; L49-I52 PolarHBondContact O-N 3.47Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 2.8Å; I52-L54 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 3.03Å; I52-K56 HydrophobicContact CG2-CD 4.17Å; I52-K56 HydrophobicContact CG2-CG 4.47Å; I52-K56 WeakPolarHBondContact O-CB 3.14Å; I52-K56 WeakPolarHBondContact O-CG 3.32Å; I52-K56 PolarHBondContact O-N 3.39Å; I52-L66 HydrophobicContact CG2-CD2 4.34Å; I52-V69 HydrophobicContact CD1-CG1 4.06Å; I52-V69 HydrophobicContact CD1-CG2 4.36Å; I52-V69 HydrophobicContact CG1-CG2 4.12Å; I52-V69 HydrophobicContact CG2-CG2 4Å; I52-L76 HydrophobicContact CD1-CD2 4.11Å; I52-L78 HydrophobicContact CD1-CD2 3.71Å; I52-L78 HydrophobicContact CG1-CD1 4.38Å; I52-L78 HydrophobicContact CG1-CD2 3.59Å
53C86.2Confident85Confident84 Ų8450.4 Ų50.457%0.56827%0.268SS*.Hα-helixtrans-60.9-43.9-177.5-73.90000111.8L49 R50L49-C53 WeakPolarHBondContact O-CB 3.29Å; L49-C53 PolarHBondContact O-N 2.93Å; L49-C53 PolarHBondContact O-SG 2.77Å; R50-C53 PolarHBondContact O-N 2.95Å
54L86.8Confident86.2Confident20 Ų2048.6 Ų48.611%0.10525%0.249CC..Hα-helixtrans-67.7-48.9178.8-67.8174.1000111.3R50 E51 I52 K56 E57 L58 V122 A148R50-L54 HydrophobicContact CG-CD1 3.95Å; R50-L54 HydrophobicContact CG-CG 4.38Å; R50-L54 WeakPolarHBondContact O-CB 3.25Å; R50-L54 WeakPolarHBondContact O-CG 3.44Å; R50-L54 PolarHBondContact O-N 3.5Å; E51-L54 PolarHBondContact O-N 2.93Å; I52-L54 PolarHBondContact O-N 3.36Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.06Å; L54-E57 PolarHBondContact O-N 2.95Å; L54-L58 HydrophobicContact CB-CD1 4.33Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.03Å; L54-L58 PolarHBondContact O-N 2.67Å; L54-V122 HydrophobicContact CD1-CG1 4.33Å; L54-V122 HydrophobicContact CD2-CG1 4.25Å; L54-V122 HydrophobicContact CD2-CG2 3.88Å; L54-A148 HydrophobicContact CD1-CB 3.61Å
55L89.4Confident87.3Confident3 Ų350.9 Ų50.92%0.01625%0.252CS..Hα-helixtrans-69.1-22.8-176.1-72.5167.5000114E51 I52 E57 I63 V64 L66 F80 F145E51-L55 HydrophobicContact CG-CD1 3.52Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 VanDerWaalsContact O-CB 3.29Å; E51-L55 WeakPolarHBondContact O-CB 3.37Å; E51-L55 WeakPolarHBondContact O-CD1 3.3Å; E51-L55 VanDerWaalsContact O-CG 3.3Å; E51-L55 WeakPolarHBondContact O-CG 3.28Å; E51-L55 PolarHBondContact O-N 3.26Å; I52-L55 PolarHBondContact O-N 3.03Å; L55-E57 VanDerWaalsContact C-N 3.27Å; L55-E57 PolarHBondContact O-N 3.3Å; L55-I63 HydrophobicContact CD2-CG2 4.16Å; L55-V64 HydrophobicContact CD2-CG1 4.41Å; L55-L66 HydrophobicContact CB-CB 3.94Å; L55-L66 HydrophobicContact CB-CD2 4.08Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-F80 HydrophobicContact CD1-CE1 3.48Å; L55-F80 VanDerWaalsContact CD1-CE1 3.48Å; L55-F80 HydrophobicContact CD1-CZ 3.76Å; L55-F145 HydrophobicContact CD2-CD2 3.72Å; L55-F145 HydrophobicContact CD2-CE2 4.06Å; L55-F145 HydrophobicContact CD2-CG 4.16Å; L55-F145 HydrophobicContact CG-CB 4.42Å; L55-F145 HydrophobicContact CG-CD2 4.42Å; L55-F145 HydrophobicContact CG-CG 4.49Å
56K88.4Confident88.2Confident121 Ų12149.7 Ų49.753%0.52624%0.244SC..Hα-helixtrans-63.3-35170.2-82.7-176.6173.2-173.60112.3I52 L54 K59I52-K56 HydrophobicContact CG2-CD 4.17Å; I52-K56 HydrophobicContact CG2-CG 4.47Å; I52-K56 WeakPolarHBondContact O-CB 3.14Å; I52-K56 WeakPolarHBondContact O-CG 3.32Å; I52-K56 PolarHBondContact O-N 3.39Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.06Å; K56-K59 WeakPolarHBondContact O-CE 3.26Å
57E88.9Confident89Confident142 Ų14249.6 Ų49.666%0.66423%0.234SC*.Hα-helixtrans-90.3-28.3179.7-61.2-53.5133.900112.7L54 L55 K59L54-E57 PolarHBondContact O-N 2.95Å; L55-E57 VanDerWaalsContact C-N 3.27Å; L55-E57 PolarHBondContact O-N 3.3Å; E57-K59 PolarHBondContact O-N 2.92Å
58L92.9Very high89.9Confident3 Ų351.6 Ų51.62%0.01624%0.243CC..  trans-84.377.2-176.1-67.1176.3000113L54 I63 F116 R120 V122 F145L54-L58 HydrophobicContact CB-CD1 4.33Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.03Å; L54-L58 PolarHBondContact O-N 2.67Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG2 4.33Å; L58-F116 HydrophobicContact CB-CE1 4.43Å; L58-F116 HydrophobicContact CD2-CD1 4.13Å; L58-F116 HydrophobicContact CD2-CE1 3.95Å; L58-R120 HydrophobicContact CD2-CB 4.2Å; L58-V122 HydrophobicContact CD1-CB 4.49Å; L58-V122 HydrophobicContact CD1-CG1 4.16Å; L58-V122 HydrophobicContact CD1-CG2 4.36Å; L58-V122 HydrophobicContact CD2-CG2 4.16Å; L58-F145 HydrophobicContact CD1-CD1 3.77Å; L58-F145 HydrophobicContact CD1-CE1 3.39Å; L58-F145 HydrophobicContact CD1-CZ 4.07Å
59K95.7Very high90.6Very high122 Ų12253.4 Ų53.453%0.5325%0.254SS..  trans-99.292.6179.9-57.1-174178.4166.10111.8K56 E57 F116K56-K59 WeakPolarHBondContact O-CE 3.26Å; E57-K59 PolarHBondContact O-N 2.92Å; K59-F116 WeakPolarHBondContact O-CZ 3.47Å
60H97.2Very high91Very high41 Ų4151.8 Ų51.819%0.1925%0.246CC..  trans-145.5150.3179.1-175.4-100000111.7N62 I63 F116H60-N62 VanDerWaalsContact C-N 3.25Å; H60-N62 PolarHBondContact CE1-OD1 2.91Å; H60-N62 VanDerWaalsContact CE1-OD1 3.27Å; H60-N62 PolarHBondContact ND1-N 2.9Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.93Å; H60-I63 HydrophobicContact CB-CB 4.37Å; H60-I63 HydrophobicContact CB-CD1 3.94Å; H60-I63 HydrophobicContact CB-CG1 4.09Å; H60-I63 PolarHBondContact O-N 3.22Å; H60-I63 VanDerWaalsContact O-N 3.08Å; H60-F116 HydrophobicContact CB-CB 4.32Å; H60-F116 HydrophobicContact CB-CD1 3.64Å; H60-F116 HydrophobicContact CB-CD2 3.89Å; H60-F116 HydrophobicContact CB-CE1 3.75Å; H60-F116 HydrophobicContact CB-CE2 3.97Å; H60-F116 HydrophobicContact CB-CG 3.69Å; H60-F116 HydrophobicContact CB-CZ 3.9Å; H60-F116 AromaticContact CD2-CD2 3.54Å; H60-F116 AromaticContact CD2-CG 3.84Å; H60-F116 AromaticContact CG-CD2 3.9Å; H60-F116 AromaticContact CG-CG 3.78Å
61K96.4Very high91.3Very high96 Ų9653.9 Ų53.942%0.41726%0.259SS..THydrogen-bonded Turntrans-60.5-33.3-176.370.3174.5-169.7162.30113.8K141K61-K141 WeakPolarHBondContact O-CG 3.46Å; K61-K141 PolarHBondContact O-NZ 2.84Å
62N97.8Very high91.2Very high1 Ų156.1 Ų56.11%0.00528%0.275CS..THydrogen-bonded Turntrans-95.121.1178.5-56.1110.2000113.4H60 Q109 L140 K141 L142H60-N62 VanDerWaalsContact C-N 3.25Å; H60-N62 PolarHBondContact CE1-OD1 2.91Å; H60-N62 VanDerWaalsContact CE1-OD1 3.27Å; H60-N62 PolarHBondContact ND1-N 2.9Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.93Å; N62-Q109 WeakPolarHBondContact CB-O 3.48Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 2.84Å; N62-L140 WeakPolarHBondContact CA-O 3.41Å; N62-L140 WeakPolarHBondContact CB-O 3.4Å; N62-L140 PolarHBondContact ND2-O 3.19Å; N62-K141 WeakPolarHBondContact O-CA 3.41Å; N62-L142 WeakPolarHBondContact O-CG 3.41Å; N62-L142 PolarHBondContact O-N 2.8Å
63I97.6Very high90.6Very high2 Ų262.8 Ų62.81%0.0131%0.311CS..BIsolated β-bridgetrans-127.8134.4171.5-61.4176.2000107.2L55 L58 H60 R65 F116 C117 L142 F145L55-I63 HydrophobicContact CD2-CG2 4.16Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG2 4.33Å; H60-I63 HydrophobicContact CB-CB 4.37Å; H60-I63 HydrophobicContact CB-CD1 3.94Å; H60-I63 HydrophobicContact CB-CG1 4.09Å; H60-I63 PolarHBondContact O-N 3.22Å; H60-I63 VanDerWaalsContact O-N 3.08Å; I63-R65 PolarHBondContact O-N 2.81Å; I63-F116 HydrophobicContact CD1-CD1 3.54Å; I63-F116 HydrophobicContact CD1-CE1 4.12Å; I63-F116 HydrophobicContact CD1-CG 4.42Å; I63-C117 WeakPolarHBondContact CD1-SG 3.19Å; I63-L142 HydrophobicContact CG1-CB 4.39Å; I63-L142 HydrophobicContact CG1-CD1 4.38Å; I63-F145 HydrophobicContact CG2-CE2 3.78Å; I63-F145 HydrophobicContact CG2-CZ 3.79Å
64V95.8Very high90.1Very high6 Ų665.2 Ų65.24%0.03631%0.312CS..  trans-59.2128.6-179.271.60000110.6L55 L66 F80 E81 L133 L142 A143L55-V64 HydrophobicContact CD2-CG1 4.41Å; V64-L66 PolarHBondContact O-N 3.04Å; V64-F80 HydrophobicContact CG1-CD1 4.05Å; V64-F80 HydrophobicContact CG1-CE1 4.05Å; V64-F80 HydrophobicContact CG2-CB 4.39Å; V64-F80 HydrophobicContact CG2-CD1 3.98Å; V64-E81 WeakPolarHBondContact CA-OE1 3.25Å; V64-E81 HydrophobicContact CG2-CG 3.73Å; V64-L133 HydrophobicContact CG2-CD1 4.12Å; V64-L142 WeakPolarHBondContact CB-O 3.42Å; V64-L142 WeakPolarHBondContact CG1-O 3.33Å; V64-L142 PolarHBondContact N-O 2.84Å; V64-A143 HydrophobicContact CB-CB 4.21Å; V64-A143 HydrophobicContact CG1-CB 3.87Å
65R95.6Very high89.8Confident91 Ų9168.7 Ų68.734%0.34333%0.326SS..  trans-80122.5-178.3-174.357172.8-132.4-5.3111.2I63 F80 E81I63-R65 PolarHBondContact O-N 2.81Å; R65-F80 CarbonylContact O-C 3.46Å; R65-F80 VanDerWaalsContact O-CA 3.25Å; R65-F80 WeakPolarHBondContact O-CA 3.21Å; R65-E81 HydrophobicContact CB-CB 4.22Å; R65-E81 HydrophobicContact CB-CG 4.04Å; R65-E81 WeakPolarHBondContact CB-OE1 3.13Å; R65-E81 PolarHBondContact N-OE1 2.81Å; R65-E81 PolarHBondContact O-N 2.81Å
66L94.7Very high89.7Confident15 Ų1569 Ų698%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-80.8115.4160.4-176.867.1000108.8I52 L55 V64 V69 L78 F80I52-L66 HydrophobicContact CG2-CD2 4.34Å; L55-L66 HydrophobicContact CB-CB 3.94Å; L55-L66 HydrophobicContact CB-CD2 4.08Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; V64-L66 PolarHBondContact O-N 3.04Å; L66-V69 HydrophobicContact CD1-CG2 4.37Å; L66-V69 HydrophobicContact CD2-CG2 4Å; L66-V69 HydrophobicContact CG-CG2 4.45Å; L66-L78 HydrophobicContact CD1-CB 3.92Å; L66-F80 HydrophobicContact CB-CD1 4.34Å; L66-F80 HydrophobicContact CB-CE1 4.17Å; L66-F80 HydrophobicContact CD1-CD1 4.25Å; L66-F80 HydrophobicContact CD1-CD2 4.4Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CE2 4.16Å; L66-F80 HydrophobicContact CD1-CG 4.46Å; L66-F80 HydrophobicContact CD1-CZ 3.96Å
67H92.9Very high89.8Confident82 Ų8263.7 Ų63.738%0.3831%0.305SS..EExtended strand (participates in β ladder)trans-85.8-46177.5-66.6-64.4000112.1V79 F80 E81H67-V79 HydrophobicContact CB-CG1 4.37Å; H67-V79 PolarHBondContact N-O 2.91Å; H67-F80 VanDerWaalsContact CD2-C 3.45Å; H67-E81 PolarHBondContact CD2-N 2.92Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 WeakPolarHBondContact NE2-CA 3.08Å; H67-E81 WeakPolarHBondContact NE2-CB 3.29Å; H67-E81 PolarHBondContact NE2-N 2.75Å
68D90.1Very high89.9Confident58 Ų5856.9 Ų56.931%0.3127%0.273SS..EExtended strand (participates in β ladder)trans-154.1160.5-171.2-154.8-5.3000111.7K3 V79K3-D68 IonicContact NZ-OD2 3.62Å; D68-V79 HydrophobicContact CB-CB 3.98Å; D68-V79 HydrophobicContact CB-CG2 4.01Å; D68-V79 PolarHBondContact N-O 3.14Å; D68-V79 PolarHBondContact O-N 2.95Å
69V91.3Very high89.9Confident42 Ų4256.8 Ų56.826%0.25527%0.273SS..EExtended strand (participates in β ladder)trans-129.1112.5175.7179.40000108.4I52 L66 L76 L78I52-V69 HydrophobicContact CD1-CG1 4.06Å; I52-V69 HydrophobicContact CD1-CG2 4.36Å; I52-V69 HydrophobicContact CG1-CG2 4.12Å; I52-V69 HydrophobicContact CG2-CG2 4Å; L66-V69 HydrophobicContact CD1-CG2 4.37Å; L66-V69 HydrophobicContact CD2-CG2 4Å; L66-V69 HydrophobicContact CG-CG2 4.45Å; V69-L76 HydrophobicContact CG1-CD1 3.6Å; V69-L78 HydrophobicContact CB-CD2 4.47Å; V69-L78 HydrophobicContact CG1-CD2 3.96Å; V69-L78 HydrophobicContact CG2-CD2 3.97Å
70L89.6Confident89.9Confident56 Ų5651.7 Ų51.729%0.29325%0.25SS..EExtended strand (participates in β ladder)trans-101127.4179.4-50175.6000109.7Y4 T77 V79Y4-L70 HydrophobicContact CD2-CD1 3.8Å; Y4-L70 HydrophobicContact CE2-CD1 3.75Å; L70-T77 PolarHBondContact N-O 3.11Å; L70-T77 PolarHBondContact O-N 3.05Å; L70-V79 HydrophobicContact CD1-CG2 4.01Å; L70-V79 HydrophobicContact CG-CG2 4.03Å
71H84.9Confident89.8Confident127 Ų12751.3 Ų51.359%0.58825%0.249SC*.EExtended strand (participates in β ladder)trans-115.1130.8172.7-177.256.7000109.7L76H71-L76 HydrophobicContact CB-CD1 4.36Å
72S78.3Confident89.8Confident52 Ų5249 Ų4936%0.36424%0.238SC..EExtended strand (participates in β ladder)trans-142.6124.5172.361.20000108.3K74 K75S72-K74 PolarHBondContact O-N 2.67Å; S72-K75 PolarHBondContact N-O 2.84Å; S72-K75 WeakPolarHBondContact O-CA 3.36Å; S72-K75 PolarHBondContact O-N 3.27Å; S72-K75 VanDerWaalsContact O-O 3.11Å
73D73.1Confident89.7Confident155 Ų15549.5 Ų49.583%0.82924%0.242SC*.THydrogen-bonded Turntrans22.8-87.7-177-54.2-15.5000114.7
74K75.2Confident89.5Confident135 Ų13551.7 Ų51.759%0.58725%0.253SS*.THydrogen-bonded Turntrans-102.217.7-176.6-59.7-169.1169.9-159.20115.8D39 S72D39-K74 IonicContact OD1-NZ 2.7Å; D39-K74 PolarHBondContact OD1-NZ 3.07Å; S72-K74 PolarHBondContact O-N 2.67Å
75K79.6Confident89.5Confident92 Ų9254.2 Ų54.240%0.426%0.264SS..EExtended strand (participates in β ladder)trans-141.5122.2-171.4-68.1163.3-175.41710111.1M1 S72M1-K75 HydrophobicContact CE-CD 4.22Å; S72-K75 PolarHBondContact N-O 2.84Å; S72-K75 WeakPolarHBondContact O-CA 3.36Å; S72-K75 PolarHBondContact O-N 3.27Å; S72-K75 VanDerWaalsContact O-O 3.11Å
76L87.4Confident89.4Confident9 Ų951 Ų515%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-101.4127.8166.3-176.167.8000109V35 L37 V44 A48 I52 V69 H71 L78V35-L76 HydrophobicContact CB-CB 4.2Å; V35-L76 HydrophobicContact CG2-CD2 4.36Å; V35-L76 PolarHBondContact N-O 3.42Å; L37-L76 HydrophobicContact CD2-CB 4.42Å; V44-L76 HydrophobicContact CG1-CD2 3.49Å; V44-L76 VanDerWaalsContact CG1-CD2 3.49Å; V44-L76 HydrophobicContact CG2-CD2 4.39Å; A48-L76 HydrophobicContact CB-CD2 4.33Å; I52-L76 HydrophobicContact CD1-CD2 4.11Å; V69-L76 HydrophobicContact CG1-CD1 3.6Å; H71-L76 HydrophobicContact CB-CD1 4.36Å; L76-L78 HydrophobicContact CG-CD2 4.33Å
77T90.2Very high89.5Confident10 Ų1050.3 Ų50.36%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-125.3118.5179.4-52.80000109.7L32 K33 R34 L70L32-T77 HydrophobicContact CB-CG2 3.94Å; L32-T77 HydrophobicContact CD2-CG2 4.18Å; L32-T77 HydrophobicContact CG-CG2 4.48Å; K33-T77 WeakPolarHBondContact O-CA 3.18Å; R34-T77 HydrophobicContact CG-CG2 3.98Å; L70-T77 PolarHBondContact N-O 3.11Å; L70-T77 PolarHBondContact O-N 3.05Å
78L91.4Very high89.5Confident0 Ų049.7 Ų49.70%025%0.247CC..EExtended strand (participates in β ladder)trans-91.4128.8174.6-50-175.6000109L32 K33 V35 I52 L66 V69 L76 F80L32-L78 WeakPolarHBondContact CA-O 3.5Å; K33-L78 HydrophobicContact CB-CB 4.28Å; K33-L78 HydrophobicContact CD-CD1 4.48Å; K33-L78 PolarHBondContact N-O 2.96Å; K33-L78 PolarHBondContact O-N 2.96Å; V35-L78 HydrophobicContact CG2-CG 4.45Å; I52-L78 HydrophobicContact CD1-CD2 3.71Å; I52-L78 HydrophobicContact CG1-CD1 4.38Å; I52-L78 HydrophobicContact CG1-CD2 3.59Å; L66-L78 HydrophobicContact CD1-CB 3.92Å; V69-L78 HydrophobicContact CB-CD2 4.47Å; V69-L78 HydrophobicContact CG1-CD2 3.96Å; V69-L78 HydrophobicContact CG2-CD2 3.97Å; L76-L78 HydrophobicContact CG-CD2 4.33Å; L78-F80 HydrophobicContact CB-CD2 3.94Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 4.17Å; L78-F80 HydrophobicContact CD1-CE2 3.91Å; L78-F80 HydrophobicContact CD1-CZ 4.1Å; L78-F80 HydrophobicContact CG-CE2 4.27Å
79V94.2Very high89.7Confident0 Ų051.9 Ų51.90%025%0.253CS..EExtended strand (participates in β ladder)trans-101.9112.1179.4-1720000108.6Y4 V30 L32 H67 D68 L70Y4-V79 HydrophobicContact CE1-CG1 3.94Å; Y4-V79 HydrophobicContact CE2-CG2 4.02Å; V30-V79 HydrophobicContact CB-CG1 3.98Å; V30-V79 HydrophobicContact CG1-CG1 4.16Å; V30-V79 HydrophobicContact CG2-CG1 4.04Å; L32-V79 HydrophobicContact CD2-CB 4.23Å; L32-V79 HydrophobicContact CD2-CG1 4.01Å; L32-V79 HydrophobicContact CD2-CG2 3.77Å; H67-V79 HydrophobicContact CB-CG1 4.37Å; H67-V79 PolarHBondContact N-O 2.91Å; D68-V79 HydrophobicContact CB-CB 3.98Å; D68-V79 HydrophobicContact CB-CG2 4.01Å; D68-V79 PolarHBondContact N-O 3.14Å; D68-V79 PolarHBondContact O-N 2.95Å; L70-V79 HydrophobicContact CD1-CG2 4.01Å; L70-V79 HydrophobicContact CG-CG2 4.03Å
80F95.1Very high89.8Confident15 Ų1552.4 Ų52.47%0.06625%0.251CS..EExtended strand (participates in β ladder)trans-109.8159-179.1-71.7-87.5000111.7V30 A31 K33 L55 V64 R65 L66 H67 L78V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 WeakPolarHBondContact CB-O 3.49Å; A31-F80 HydrophobicContact CB-CB 4.18Å; A31-F80 PolarHBondContact N-O 2.89Å; A31-F80 PolarHBondContact O-N 3.49Å; K33-F80 HydrophobicContact CB-CD2 4.18Å; K33-F80 HydrophobicContact CB-CE2 3.93Å; K33-F80 HydrophobicContact CD-CE2 4.09Å; L55-F80 HydrophobicContact CD1-CE1 3.48Å; L55-F80 VanDerWaalsContact CD1-CE1 3.48Å; L55-F80 HydrophobicContact CD1-CZ 3.76Å; V64-F80 HydrophobicContact CG1-CD1 4.05Å; V64-F80 HydrophobicContact CG1-CE1 4.05Å; V64-F80 HydrophobicContact CG2-CB 4.39Å; V64-F80 HydrophobicContact CG2-CD1 3.98Å; R65-F80 CarbonylContact O-C 3.46Å; R65-F80 VanDerWaalsContact O-CA 3.25Å; R65-F80 WeakPolarHBondContact O-CA 3.21Å; L66-F80 HydrophobicContact CB-CD1 4.34Å; L66-F80 HydrophobicContact CB-CE1 4.17Å; L66-F80 HydrophobicContact CD1-CD1 4.25Å; L66-F80 HydrophobicContact CD1-CD2 4.4Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CE2 4.16Å; L66-F80 HydrophobicContact CD1-CG 4.46Å; L66-F80 HydrophobicContact CD1-CZ 3.96Å; H67-F80 VanDerWaalsContact CD2-C 3.45Å; L78-F80 HydrophobicContact CB-CD2 3.94Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 4.17Å; L78-F80 HydrophobicContact CD1-CE2 3.91Å; L78-F80 HydrophobicContact CD1-CZ 4.1Å; L78-F80 HydrophobicContact CG-CE2 4.27Å
81E95.1Very high90Very high34 Ų3449.9 Ų49.916%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-57146.2162.268.9178132.500109.7V64 R65 H67 K141V64-E81 WeakPolarHBondContact CA-OE1 3.25Å; V64-E81 HydrophobicContact CG2-CG 3.73Å; R65-E81 HydrophobicContact CB-CB 4.22Å; R65-E81 HydrophobicContact CB-CG 4.04Å; R65-E81 WeakPolarHBondContact CB-OE1 3.13Å; R65-E81 PolarHBondContact N-OE1 2.81Å; R65-E81 PolarHBondContact O-N 2.81Å; H67-E81 PolarHBondContact CD2-N 2.92Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 WeakPolarHBondContact NE2-CA 3.08Å; H67-E81 WeakPolarHBondContact NE2-CB 3.29Å; H67-E81 PolarHBondContact NE2-N 2.75Å; E81-K141 WeakPolarHBondContact OE1-CD 3.42Å; E81-K141 IonicContact OE1-NZ 2.69Å; E81-K141 PolarHBondContact OE1-NZ 3.16Å; E81-K141 WeakPolarHBondContact OE2-CE 3.45Å; E81-K141 IonicContact OE2-NZ 2.94Å; E81-K141 PolarHBondContact OE2-NZ 3.17Å
82Y95.8Very high90.3Very high47 Ų4748.7 Ų48.718%0.18424%0.236CC..  trans-88.2134.4177177.5-103.9000110.9I10 K20 I29I10-Y82 HydrophobicContact CD1-CD2 4.4Å; I10-Y82 HydrophobicContact CD1-CE2 4.09Å; K20-Y82 HydrophobicContact CB-CD2 4.44Å; K20-Y82 HydrophobicContact CB-CE2 4.1Å; K20-Y82 HydrophobicContact CD-CD2 4.42Å; K20-Y82 HydrophobicContact CD-CE1 4.46Å; K20-Y82 HydrophobicContact CD-CE2 3.75Å; K20-Y82 HydrophobicContact CG-CD2 3.95Å; K20-Y82 HydrophobicContact CG-CE2 3.71Å; K20-Y82 PolarHBondContact NZ-OH 3.4Å; K20-Y82 VanDerWaalsContact NZ-OH 3.15Å; I29-Y82 HydrophobicContact CG2-CD1 3.71Å; I29-Y82 HydrophobicContact CG2-CD2 4.29Å; I29-Y82 HydrophobicContact CG2-CE1 4.32Å; I29-Y82 HydrophobicContact CG2-CG 3.68Å; I29-Y82 WeakPolarHBondContact O-CB 3.39Å
83C95.5Very high90.9Very high12 Ų1250.1 Ų50.18%0.08125%0.246CC..  trans-119.6147.7166.6-57.60000109L133C83-L133 HydrophobicContact CB-CB 3.63Å; C83-L133 HydrophobicContact CB-CD1 4.15Å; C83-L133 HydrophobicContact CB-CG 4.41Å
84D94.2Very high91.7Very high48 Ų4844.4 Ų44.426%0.25722%0.218SC..SBendtrans-71.5-38.6-170.2-64-89.7000112.9I134 N135 R136D84-I134 PolarHBondContact N-O 3.07Å; D84-I134 VanDerWaalsContact N-O 3.16Å; D84-N135 WeakPolarHBondContact OD2-CA 3.46Å; D84-R136 IonicContact OD1-CZ 2.73Å; D84-R136 IonicContact OD1-NE 3.43Å; D84-R136 PolarHBondContact OD1-NE 3.21Å; D84-R136 IonicContact OD1-NH2 3.19Å; D84-R136 WeakPolarHBondContact OD2-CG 3.32Å; D84-R136 PolarHBondContact OD2-N 3.17Å; D84-R136 IonicContact OD2-NE 2.62Å
85Q94.5Very high92.2Very high58 Ų5845 Ų4527%0.27123%0.228SC..EExtended strand (participates in β ladder)trans-154.6164.4-178.158.5-172.6-37.200112K89 Y90 I134Q85-K89 HydrophobicContact CB-CB 4.21Å; Q85-Y90 HydrophobicContact CG-CD2 4.44Å; Q85-I134 HydrophobicContact CG-CB 4.47Å; Q85-I134 PolarHBondContact N-O 3.1Å; Q85-I134 PolarHBondContact O-N 3.1Å
86D95.4Very high92.4Very high25 Ų2540.9 Ų40.913%0.13421%0.211CC..EExtended strand (participates in β ladder)trans-90.3163166.758.571.6000110.7K88 K89 Y90 L132 L133D86-K88 PolarHBondContact O-N 3.08Å; D86-K88 WeakPolarHBondContact OD1-CA 3.46Å; D86-K88 WeakPolarHBondContact OD1-CB 3.48Å; D86-K88 PolarHBondContact OD1-N 3.24Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; D86-K89 PolarHBondContact O-N 3.32Å; D86-K89 PolarHBondContact OD1-N 2.91Å; D86-K89 WeakPolarHBondContact OD2-CD 3.42Å; D86-K89 WeakPolarHBondContact OD2-CE 3.03Å; D86-K89 IonicContact OD2-NZ 3.91Å; D86-Y90 PolarHBondContact O-N 3.08Å; D86-L132 CarbonylContact C-O 3.54Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.44Å; D86-L133 HydrophobicContact CB-CD2 4.11Å
87L95.8Very high92.5Very high0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-62.5-28.3-178.3178.665.8000111.9Y90 F91 F106 P129 L132 I134 I191 L195L87-Y90 HydrophobicContact CD1-CD1 4.43Å; L87-Y90 WeakPolarHBondContact O-CB 3.32Å; L87-Y90 PolarHBondContact O-N 3.38Å; L87-F91 HydrophobicContact CD1-CE1 4.17Å; L87-F91 HydrophobicContact CD1-CE2 4.32Å; L87-F91 HydrophobicContact CD1-CZ 3.98Å; L87-F91 HydrophobicContact CD2-CE2 4.12Å; L87-F91 HydrophobicContact CD2-CZ 4.03Å; L87-F91 HydrophobicContact CG-CD2 4.33Å; L87-F91 HydrophobicContact CG-CE2 3.79Å; L87-F91 HydrophobicContact CG-CZ 3.88Å; L87-F91 VanDerWaalsContact O-CD2 3.28Å; L87-F91 WeakPolarHBondContact O-CD2 3.23Å; L87-F91 WeakPolarHBondContact O-CG 3.45Å; L87-F91 PolarHBondContact O-N 3.03Å; L87-F106 HydrophobicContact CD1-CD2 4.11Å; L87-F106 HydrophobicContact CD1-CE2 4.23Å; L87-P129 HydrophobicContact CB-CB 4.11Å; L87-P129 WeakPolarHBondContact CB-O 3.3Å; L87-P129 HydrophobicContact CD2-CB 4.17Å; L87-P129 HydrophobicContact CG-CB 4.16Å; L87-P129 PolarHBondContact N-O 3.04Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.42Å; L87-L132 HydrophobicContact CD2-CD1 3.72Å; L87-L132 PolarHBondContact N-O 3.25Å; L87-I134 HydrophobicContact CB-CD1 4.05Å; L87-I134 HydrophobicContact CD1-CD1 3.69Å; L87-I134 HydrophobicContact CG-CD1 4.49Å; L87-I191 HydrophobicContact CD2-CG2 3.95Å; L87-L195 HydrophobicContact CD1-CD2 3.79Å; L87-L195 HydrophobicContact CD2-CD2 4.08Å
88K93.9Very high92.6Very high68 Ų6845.9 Ų45.930%0.29624%0.237SC..Hα-helixtrans-66.8-47.6176.5179.257-172.4129.40111.2D86 Y90 F91 D92 P129 Q130D86-K88 PolarHBondContact O-N 3.08Å; D86-K88 WeakPolarHBondContact OD1-CA 3.46Å; D86-K88 WeakPolarHBondContact OD1-CB 3.48Å; D86-K88 PolarHBondContact OD1-N 3.24Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 2.68Å; K88-F91 WeakPolarHBondContact O-CB 3.4Å; K88-F91 PolarHBondContact O-N 2.87Å; K88-D92 IonicContact NZ-OD1 3.21Å; K88-D92 PolarHBondContact NZ-OD1 2.77Å; K88-D92 IonicContact NZ-OD2 2.71Å; K88-D92 PolarHBondContact O-N 2.84Å; K88-P129 HydrophobicContact CB-CB 4.04Å; K88-Q130 HydrophobicContact CB-CG 4.07Å; K88-Q130 HydrophobicContact CG-CG 4.5Å
89K93.3Very high92.6Very high104 Ų10449.6 Ų49.645%0.45226%0.257SS..Hα-helixtrans-63.1-36.3172.8-71.7179.1-172.7171.90111.8Q85 D86 F91 D92 S93Q85-K89 HydrophobicContact CB-CB 4.21Å; D86-K89 PolarHBondContact O-N 3.32Å; D86-K89 PolarHBondContact OD1-N 2.91Å; D86-K89 WeakPolarHBondContact OD2-CD 3.42Å; D86-K89 WeakPolarHBondContact OD2-CE 3.03Å; D86-K89 IonicContact OD2-NZ 3.91Å; K89-F91 VanDerWaalsContact C-N 3.34Å; K89-F91 PolarHBondContact O-N 2.85Å; K89-D92 PolarHBondContact O-N 3.19Å; K89-S93 PolarHBondContact O-N 3.09Å
90Y94.3Very high92.5Very high54 Ų5453 Ų5321%0.21228%0.279CS..Hα-helixtrans-59.6-45.8175.4-170.7-84.8000111Q85 D86 L87 K88 D92 S93 C94 L98 F106 I134Q85-Y90 HydrophobicContact CG-CD2 4.44Å; D86-Y90 PolarHBondContact O-N 3.08Å; L87-Y90 HydrophobicContact CD1-CD1 4.43Å; L87-Y90 WeakPolarHBondContact O-CB 3.32Å; L87-Y90 PolarHBondContact O-N 3.38Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 2.68Å; Y90-D92 VanDerWaalsContact C-N 3.33Å; Y90-D92 PolarHBondContact O-N 2.82Å; Y90-S93 PolarHBondContact O-N 3.49Å; Y90-S93 VanDerWaalsContact O-N 3.17Å; Y90-S93 PolarHBondContact O-OG 3.12Å; Y90-C94 PolarHBondContact O-N 3.27Å; Y90-C94 VanDerWaalsContact O-N 3.14Å; Y90-C94 PolarHBondContact O-SG 3.32Å; Y90-L98 HydrophobicContact CD1-CD2 4.33Å; Y90-L98 HydrophobicContact CE1-CD1 4.38Å; Y90-L98 HydrophobicContact CE1-CD2 3.96Å; Y90-L98 HydrophobicContact CE1-CG 3.96Å; Y90-F106 HydrophobicContact CD1-CE2 4.07Å; Y90-F106 AromaticContact CE1-CE2 3.75Å; Y90-F106 HydrophobicContact CE1-CE2 3.75Å; Y90-F106 HydrophobicContact CE1-CZ 4.24Å; Y90-F106 HydrophobicContact CE2-CZ 4.24Å; Y90-F106 AromaticContact CZ-CE2 4Å; Y90-I134 HydrophobicContact CD1-CD1 4.33Å; Y90-I134 HydrophobicContact CD2-CD1 3.82Å; Y90-I134 HydrophobicContact CD2-CG2 4.3Å; Y90-I134 HydrophobicContact CE2-CG2 4.49Å; Y90-I134 HydrophobicContact CG-CD1 3.69Å
91F93.2Very high92.4Very high2 Ų257 Ų571%0.00930%0.298CS..Hα-helixtrans-55.3-47.3172.8-70-46.2000112.3L87 K88 K89 S93 C94 N95 G96 L98 P129 E194 L195L87-F91 HydrophobicContact CD1-CE1 4.17Å; L87-F91 HydrophobicContact CD1-CE2 4.32Å; L87-F91 HydrophobicContact CD1-CZ 3.98Å; L87-F91 HydrophobicContact CD2-CE2 4.12Å; L87-F91 HydrophobicContact CD2-CZ 4.03Å; L87-F91 HydrophobicContact CG-CD2 4.33Å; L87-F91 HydrophobicContact CG-CE2 3.79Å; L87-F91 HydrophobicContact CG-CZ 3.88Å; L87-F91 VanDerWaalsContact O-CD2 3.28Å; L87-F91 WeakPolarHBondContact O-CD2 3.23Å; L87-F91 WeakPolarHBondContact O-CG 3.45Å; L87-F91 PolarHBondContact O-N 3.03Å; K88-F91 WeakPolarHBondContact O-CB 3.4Å; K88-F91 PolarHBondContact O-N 2.87Å; K89-F91 VanDerWaalsContact C-N 3.34Å; K89-F91 PolarHBondContact O-N 2.85Å; F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 2.82Å; F91-C94 PolarHBondContact O-N 2.87Å; F91-C94 PolarHBondContact O-SG 2.69Å; F91-C94 VanDerWaalsContact O-SG 3.41Å; F91-N95 PolarHBondContact O-N 3.42Å; F91-N95 VanDerWaalsContact O-N 3.15Å; F91-G96 PolarHBondContact O-N 2.86Å; F91-L98 HydrophobicContact CD1-CD1 3.56Å; F91-L98 HydrophobicContact CE1-CD1 3.71Å; F91-L98 HydrophobicContact CE1-CD2 4.21Å; F91-P129 HydrophobicContact CE2-CB 4.19Å; F91-P129 HydrophobicContact CE2-CG 4.15Å; F91-E194 HydrophobicContact CE2-CB 4.14Å; F91-E194 HydrophobicContact CZ-CB 3.98Å; F91-L195 HydrophobicContact CE1-CD2 3.92Å; F91-L195 HydrophobicContact CZ-CD2 3.87Å; F91-L195 HydrophobicContact CZ-CG 4.25Å
92D91Very high92.3Very high103 Ų10356.7 Ų56.755%0.55130%0.298SS*.Hα-helixtrans-64.3-35.5-179.1-58.1-25.9000111.2K88 K89 Y90 N95K88-D92 IonicContact NZ-OD1 3.21Å; K88-D92 PolarHBondContact NZ-OD1 2.77Å; K88-D92 IonicContact NZ-OD2 2.71Å; K88-D92 PolarHBondContact O-N 2.84Å; K89-D92 PolarHBondContact O-N 3.19Å; Y90-D92 VanDerWaalsContact C-N 3.33Å; Y90-D92 PolarHBondContact O-N 2.82Å; D92-N95 PolarHBondContact O-N 2.88Å
93S90.8Very high92.3Very high82 Ų8254.5 Ų54.557%0.57329%0.29SS*.Hα-helixtrans-70.2-29.5179.677.70000114.6K89 Y90 F91K89-S93 PolarHBondContact O-N 3.09Å; Y90-S93 PolarHBondContact O-N 3.49Å; Y90-S93 VanDerWaalsContact O-N 3.17Å; Y90-S93 PolarHBondContact O-OG 3.12Å; F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 2.82Å
94C89.2Confident92.3Very high35 Ų3555.3 Ų55.324%0.23629%0.292CS..THydrogen-bonded Turntrans-102.312.6177.762.20000112.8Y90 F91 G96 D97 L98Y90-C94 PolarHBondContact O-N 3.27Å; Y90-C94 VanDerWaalsContact O-N 3.14Å; Y90-C94 PolarHBondContact O-SG 3.32Å; F91-C94 PolarHBondContact O-N 2.87Å; F91-C94 PolarHBondContact O-SG 2.69Å; F91-C94 VanDerWaalsContact O-SG 3.41Å; C94-G96 PolarHBondContact O-N 2.94Å; C94-G96 VanDerWaalsContact O-N 3.15Å; C94-D97 PolarHBondContact O-N 3.17Å; C94-L98 WeakPolarHBondContact SG-CD1 3.43Å
95N87.5Confident92.4Very high148 Ų14853.7 Ų53.779%0.79129%0.285SS*.THydrogen-bonded Turntrans53.631.7-174.6-162.845.4000113.1F91 D92 D97F91-N95 PolarHBondContact O-N 3.42Å; F91-N95 VanDerWaalsContact O-N 3.15Å; D92-N95 PolarHBondContact O-N 2.88Å; N95-D97 PolarHBondContact O-N 3.37Å
96G83.4Confident92.5Very high4 Ų451.1 Ų51.14%0.04127%0.272CS..THydrogen-bonded Turntrans73.5-1.6-175.100000114.8F91 C94 L98 A198F91-G96 PolarHBondContact O-N 2.86Å; C94-G96 PolarHBondContact O-N 2.94Å; C94-G96 VanDerWaalsContact O-N 3.15Å; G96-L98 PolarHBondContact O-N 3.49Å; G96-A198 VanDerWaalsContact O-CA 3.26Å; G96-A198 WeakPolarHBondContact O-CA 3.49Å
97D89.3Confident92.7Very high119 Ų11949.9 Ų49.964%0.63627%0.266SS*.  trans-95.179.4-170.5-160.123.7000113.1C94 N95 K254C94-D97 PolarHBondContact O-N 3.17Å; N95-D97 PolarHBondContact O-N 3.37Å; D97-K254 VanDerWaalsContact OD1-CE 3.32Å; D97-K254 WeakPolarHBondContact OD1-CE 3.24Å; D97-K254 IonicContact OD1-NZ 2.99Å; D97-K254 PolarHBondContact OD1-NZ 2.97Å
98L91.1Very high92.8Very high5 Ų552 Ų523%0.02627%0.274CS..  trans-82.9137.9173.3-72.375.8000111.7Y90 F91 C94 G96 T102 V103 F106 L195 K254Y90-L98 HydrophobicContact CD1-CD2 4.33Å; Y90-L98 HydrophobicContact CE1-CD1 4.38Å; Y90-L98 HydrophobicContact CE1-CD2 3.96Å; Y90-L98 HydrophobicContact CE1-CG 3.96Å; F91-L98 HydrophobicContact CD1-CD1 3.56Å; F91-L98 HydrophobicContact CE1-CD1 3.71Å; F91-L98 HydrophobicContact CE1-CD2 4.21Å; C94-L98 WeakPolarHBondContact SG-CD1 3.43Å; G96-L98 PolarHBondContact O-N 3.49Å; L98-T102 HydrophobicContact CD2-CG2 4.07Å; L98-V103 HydrophobicContact CB-CG2 3.78Å; L98-V103 HydrophobicContact CD2-CG2 4.43Å; L98-F106 HydrophobicContact CD2-CD2 4.02Å; L98-F106 HydrophobicContact CD2-CE2 4.05Å; L98-L195 HydrophobicContact CD2-CD2 3.66Å; L98-K254 WeakPolarHBondContact O-CD 3.39Å; L98-K254 WeakPolarHBondContact O-CE 3.43Å; L98-K254 PolarHBondContact O-NZ 3.26Å
99D91.4Very high93Very high79 Ų7949.2 Ų49.242%0.42226%0.262SS..  trans-69.8155170.47289000111.4E101 T102 V103D99-E101 VanDerWaalsContact C-N 3.27Å; D99-E101 PolarHBondContact O-N 2.94Å; D99-E101 WeakPolarHBondContact OD1-CA 3.42Å; D99-E101 WeakPolarHBondContact OD1-CB 3.45Å; D99-E101 PolarHBondContact OD1-N 3.44Å; D99-T102 PolarHBondContact O-N 2.82Å; D99-T102 PolarHBondContact OD1-N 3.28Å; D99-T102 PolarHBondContact OD1-OG1 3.27Å; D99-T102 WeakPolarHBondContact OD2-CB 3.49Å; D99-T102 PolarHBondContact OD2-OG1 2.96Å; D99-V103 WeakPolarHBondContact O-CG2 3.24Å; D99-V103 PolarHBondContact O-N 3.21Å
100P92.6Very high93.2Very high70 Ų7044.3 Ų44.346%0.45524%0.241SC..Hα-helixtrans-59.7-29.3-176.9-26.736.1000115.4K104P100-K104 WeakPolarHBondContact O-CB 3.35Å; P100-K104 PolarHBondContact O-N 3.03Å
101E92.7Very high93.5Very high100 Ų10041.8 Ų41.847%0.46723%0.231SC..Hα-helixtrans-76.1-37.7178.8-67.2-55.1139.500111.1D99 K104 S105D99-E101 VanDerWaalsContact C-N 3.27Å; D99-E101 PolarHBondContact O-N 2.94Å; D99-E101 WeakPolarHBondContact OD1-CA 3.42Å; D99-E101 WeakPolarHBondContact OD1-CB 3.45Å; D99-E101 PolarHBondContact OD1-N 3.44Å; E101-K104 VanDerWaalsContact CD-NZ 3.29Å; E101-K104 PolarHBondContact O-N 2.87Å; E101-K104 IonicContact OE1-NZ 2.69Å; E101-K104 PolarHBondContact OE1-NZ 2.9Å; E101-K104 IonicContact OE2-NZ 2.78Å; E101-K104 PolarHBondContact OE2-NZ 3.45Å; E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.87Å
102T93.7Very high93.7Very high28 Ų2844.8 Ų44.817%0.17224%0.244CC..Hα-helixtrans-62.6-42.8170.5-63.50000111.4L98 D99 K104 S105 F106L98-T102 HydrophobicContact CD2-CG2 4.07Å; D99-T102 PolarHBondContact O-N 2.82Å; D99-T102 PolarHBondContact OD1-N 3.28Å; D99-T102 PolarHBondContact OD1-OG1 3.27Å; D99-T102 WeakPolarHBondContact OD2-CB 3.49Å; D99-T102 PolarHBondContact OD2-OG1 2.96Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.12Å; T102-S105 PolarHBondContact O-N 2.8Å; T102-F106 HydrophobicContact CG2-CD2 3.87Å; T102-F106 HydrophobicContact CG2-CE1 4.34Å; T102-F106 HydrophobicContact CG2-CE2 3.5Å; T102-F106 HydrophobicContact CG2-CG 4.43Å; T102-F106 HydrophobicContact CG2-CZ 3.76Å; T102-F106 PolarHBondContact O-N 2.72Å
103V95.3Very high94Very high1 Ų139.9 Ų39.91%0.00622%0.218CC..Hα-helixtrans-57.2-47.7174.2170.20000110.8L98 D99 M107 F192 L195 L255L98-V103 HydrophobicContact CB-CG2 3.78Å; L98-V103 HydrophobicContact CD2-CG2 4.43Å; D99-V103 WeakPolarHBondContact O-CG2 3.24Å; D99-V103 PolarHBondContact O-N 3.21Å; V103-M107 WeakPolarHBondContact O-CB 3.48Å; V103-M107 PolarHBondContact O-N 2.99Å; V103-F192 HydrophobicContact CG1-CD2 4.21Å; V103-F192 HydrophobicContact CG1-CE2 3.83Å; V103-L195 HydrophobicContact CG1-CB 3.95Å; V103-L195 HydrophobicContact CG2-CB 4.19Å; V103-L195 VanDerWaalsContact CG2-O 3.27Å; V103-L195 WeakPolarHBondContact CG2-O 3.27Å; V103-L255 HydrophobicContact CG1-CD2 4.34Å
104K96.1Very high94.4Very high29 Ų2936 Ų3613%0.12619%0.19CC..Hα-helixtrans-62.8-44.7178-168.4-172.7-62.9154.30111.5P100 E101 T102 M107 Y108 Y285 F286 F289P100-K104 WeakPolarHBondContact O-CB 3.35Å; P100-K104 PolarHBondContact O-N 3.03Å; E101-K104 VanDerWaalsContact CD-NZ 3.29Å; E101-K104 PolarHBondContact O-N 2.87Å; E101-K104 IonicContact OE1-NZ 2.69Å; E101-K104 PolarHBondContact OE1-NZ 2.9Å; E101-K104 IonicContact OE2-NZ 2.78Å; E101-K104 PolarHBondContact OE2-NZ 3.45Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.12Å; K104-M107 PolarHBondContact O-N 3.2Å; K104-Y108 VanDerWaalsContact O-CB 3.31Å; K104-Y108 WeakPolarHBondContact O-CB 3.44Å; K104-Y108 PolarHBondContact O-N 3.08Å; K104-Y285 HydrophobicContact CB-CE1 4.19Å; K104-Y285 HydrophobicContact CG-CD1 4.39Å; K104-Y285 HydrophobicContact CG-CE1 3.79Å; K104-F286 HydrophobicContact CG-CD1 3.8Å; K104-F286 HydrophobicContact CG-CE1 3.89Å; K104-F289 HydrophobicContact CD-CB 3.95Å; K104-F289 HydrophobicContact CD-CD2 3.47Å; K104-F289 VanDerWaalsContact CD-CD2 3.47Å; K104-F289 HydrophobicContact CD-CE2 4.22Å; K104-F289 HydrophobicContact CD-CG 3.88Å; K104-F289 HydrophobicContact CG-CD2 3.96Å; K104-F289 HydrophobicContact CG-CE2 4.37Å; K104-F289 HydrophobicContact CG-CG 4.24Å
105S96.6Very high94.8Very high14 Ų1435.2 Ų35.210%0.09819%0.187CC..Hα-helixtrans-60.1-51.5178179.70000112.4E101 T102 M107 Y108 Q109 F289E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.87Å; T102-S105 PolarHBondContact O-N 2.8Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 3.08Å; S105-Y108 PolarHBondContact O-N 3.29Å; S105-Q109 WeakPolarHBondContact O-CB 3.34Å; S105-Q109 VanDerWaalsContact O-CG 3.25Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.12Å; S105-Q109 PolarHBondContact OG-NE2 2.82Å; S105-F289 VanDerWaalsContact CA-CZ 3.42Å
106F97.3Very high95.3Very high3 Ų329.6 Ų29.61%0.01316%0.155CC..Hα-helixtrans-63.5-40.1178.7-71.5-14.4000112L87 Y90 L98 T102 Q109 L110 I134 L140 L195L87-F106 HydrophobicContact CD1-CD2 4.11Å; L87-F106 HydrophobicContact CD1-CE2 4.23Å; Y90-F106 HydrophobicContact CD1-CE2 4.07Å; Y90-F106 AromaticContact CE1-CE2 3.75Å; Y90-F106 HydrophobicContact CE1-CE2 3.75Å; Y90-F106 HydrophobicContact CE1-CZ 4.24Å; Y90-F106 HydrophobicContact CE2-CZ 4.24Å; Y90-F106 AromaticContact CZ-CE2 4Å; L98-F106 HydrophobicContact CD2-CD2 4.02Å; L98-F106 HydrophobicContact CD2-CE2 4.05Å; T102-F106 HydrophobicContact CG2-CD2 3.87Å; T102-F106 HydrophobicContact CG2-CE1 4.34Å; T102-F106 HydrophobicContact CG2-CE2 3.5Å; T102-F106 HydrophobicContact CG2-CG 4.43Å; T102-F106 HydrophobicContact CG2-CZ 3.76Å; T102-F106 PolarHBondContact O-N 2.72Å; F106-Q109 PolarHBondContact O-N 3.39Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.34Å; F106-L110 PolarHBondContact O-N 2.81Å; F106-I134 HydrophobicContact CD2-CD1 4.49Å; F106-I134 HydrophobicContact CE1-CD1 4.4Å; F106-I134 HydrophobicContact CE1-CG2 4.25Å; F106-I134 HydrophobicContact CE2-CD1 3.8Å; F106-I134 HydrophobicContact CZ-CD1 3.75Å; F106-I134 HydrophobicContact CZ-CG1 4.32Å; F106-I134 HydrophobicContact CZ-CG2 4.04Å; F106-L140 HydrophobicContact CB-CD1 3.72Å; F106-L140 HydrophobicContact CD1-CB 4.09Å; F106-L140 HydrophobicContact CD1-CD1 4.12Å; F106-L140 HydrophobicContact CG-CD1 3.93Å; F106-L195 HydrophobicContact CB-CD1 4.14Å; F106-L195 HydrophobicContact CB-CD2 4.3Å; F106-L195 HydrophobicContact CD2-CD2 3.9Å
107M97.8Very high96Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-65.1-43.1176.8-168.259.1-163.200112.1V103 K104 S105 L110 L111 A188 F192 L266 F286V103-M107 WeakPolarHBondContact O-CB 3.48Å; V103-M107 PolarHBondContact O-N 2.99Å; K104-M107 PolarHBondContact O-N 3.2Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 3.08Å; M107-L110 PolarHBondContact O-N 3.39Å; M107-L110 HydrophobicContact SD-CD2 4.07Å; M107-L111 HydrophobicContact CE-CD1 3.89Å; M107-L111 HydrophobicContact CE-CD2 3.86Å; M107-L111 HydrophobicContact CE-CG 3.76Å; M107-L111 HydrophobicContact CG-CD1 4.28Å; M107-L111 WeakPolarHBondContact O-CG 3.48Å; M107-L111 PolarHBondContact O-N 3.37Å; M107-A188 HydrophobicContact CE-CB 4.16Å; M107-F192 HydrophobicContact CB-CD2 4.02Å; M107-F192 HydrophobicContact CB-CE2 4.11Å; M107-F192 HydrophobicContact CE-CB 4.13Å; M107-F192 HydrophobicContact CE-CG 4.33Å; M107-F192 HydrophobicContact CG-CD1 4.45Å; M107-F192 HydrophobicContact CG-CD2 3.74Å; M107-F192 HydrophobicContact CG-CE2 3.98Å; M107-F192 HydrophobicContact CG-CG 4Å; M107-F192 HydrophobicContact CG-CZ 4.45Å; M107-F192 HydrophobicContact SD-CB 3.64Å; M107-F192 HydrophobicContact SD-CD1 4.49Å; M107-F192 HydrophobicContact SD-CD2 3.94Å; M107-F192 HydrophobicContact SD-CG 3.79Å; M107-L266 HydrophobicContact CE-CD1 3.55Å; M107-F286 HydrophobicContact CB-CE1 4.45Å; M107-F286 HydrophobicContact CB-CZ 4.22Å; M107-F286 HydrophobicContact CG-CZ 3.97Å
108Y98.3Very high96.3Very high43 Ų4324.8 Ų24.817%0.16913%0.128CC..Hα-helixtrans-60.6-47176.4-175.5-97.2000111.7K104 S105 L111 K112 L281 F286 F289 P291K104-Y108 VanDerWaalsContact O-CB 3.31Å; K104-Y108 WeakPolarHBondContact O-CB 3.44Å; K104-Y108 PolarHBondContact O-N 3.08Å; S105-Y108 PolarHBondContact O-N 3.29Å; Y108-L111 PolarHBondContact O-N 3.38Å; Y108-K112 HydrophobicContact CD1-CD 4.24Å; Y108-K112 HydrophobicContact CD1-CG 4.25Å; Y108-K112 HydrophobicContact CE1-CD 3.52Å; Y108-K112 HydrophobicContact CE1-CG 3.9Å; Y108-K112 WeakPolarHBondContact O-CG 3.45Å; Y108-K112 PolarHBondContact O-N 3.39Å; Y108-L281 HydrophobicContact CD2-CD2 3.69Å; Y108-L281 HydrophobicContact CE2-CD2 3.61Å; Y108-L281 HydrophobicContact CG-CD2 4.32Å; Y108-F286 HydrophobicContact CD2-CB 4.14Å; Y108-F286 AromaticContact CD2-CD1 3.73Å; Y108-F286 HydrophobicContact CD2-CD1 3.73Å; Y108-F286 HydrophobicContact CD2-CD2 4.3Å; Y108-F286 HydrophobicContact CD2-CE1 4.16Å; Y108-F286 AromaticContact CD2-CG 3.8Å; Y108-F286 HydrophobicContact CD2-CG 3.8Å; Y108-F286 HydrophobicContact CE2-CB 4.43Å; Y108-F286 HydrophobicContact CE2-CG 4.5Å; Y108-F286 HydrophobicContact CG-CD1 4.32Å; Y108-F286 HydrophobicContact CG-CE1 4.46Å; Y108-F289 HydrophobicContact CD1-CD1 4.08Å; Y108-F289 AromaticContact CD1-CE1 3.84Å; Y108-F289 HydrophobicContact CD1-CE1 3.84Å; Y108-F289 HydrophobicContact CD2-CD1 4.08Å; Y108-F289 AromaticContact CG-CD1 3.82Å; Y108-F289 HydrophobicContact CG-CD1 3.82Å; Y108-F289 AromaticContact CG-CE1 3.84Å; Y108-F289 HydrophobicContact CG-CE1 3.84Å; Y108-P291 HydrophobicContact CE1-CB 4.38Å; Y108-P291 HydrophobicContact CE1-CG 3.95Å
109Q98.3Very high96.6Very high11 Ų1128.3 Ų28.35%0.05115%0.153CC..Hα-helixtrans-64.9-40.6179.3-72.4-173.175.800112.8N62 S105 F106 K112 G113 G138 E139 L140N62-Q109 WeakPolarHBondContact CB-O 3.48Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 2.84Å; S105-Q109 WeakPolarHBondContact O-CB 3.34Å; S105-Q109 VanDerWaalsContact O-CG 3.25Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.12Å; S105-Q109 PolarHBondContact OG-NE2 2.82Å; F106-Q109 PolarHBondContact O-N 3.39Å; Q109-K112 PolarHBondContact O-N 2.77Å; Q109-G113 PolarHBondContact O-N 3.45Å; Q109-G138 PolarHBondContact NE2-O 2.86Å; Q109-E139 VanDerWaalsContact OE1-CA 3.26Å; Q109-L140 HydrophobicContact CB-CB 3.97Å
110L98.6Very high96.7Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..Hα-helixtrans-58-51.1172.2168.954.9000110.8F106 M107 K112 G113 L114 L127 L132 L140 L142 A188 I191F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.34Å; F106-L110 PolarHBondContact O-N 2.81Å; M107-L110 PolarHBondContact O-N 3.39Å; M107-L110 HydrophobicContact SD-CD2 4.07Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 2.98Å; L110-G113 PolarHBondContact O-N 2.92Å; L110-L114 HydrophobicContact CD1-CD1 3.85Å; L110-L114 HydrophobicContact CD1-CG 4.1Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.16Å; L110-L127 HydrophobicContact CD1-CD2 4.21Å; L110-L132 HydrophobicContact CD1-CD2 4.03Å; L110-L132 HydrophobicContact CD2-CD1 4.32Å; L110-L140 HydrophobicContact CB-CD2 4.13Å; L110-L142 HydrophobicContact CD1-CD2 3.5Å; L110-A188 HydrophobicContact CD2-CB 4.09Å; L110-A188 HydrophobicContact CG-CB 4.48Å; L110-I191 HydrophobicContact CD2-CB 4.44Å; L110-I191 HydrophobicContact CD2-CD1 4.46Å; L110-I191 HydrophobicContact CD2-CG2 4.09Å
111L98.7Very high96.6Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-63-38.6179.1-70.6170.7000112.4M107 Y108 L114 A115 M185 A277 A280 L281 F286M107-L111 HydrophobicContact CE-CD1 3.89Å; M107-L111 HydrophobicContact CE-CD2 3.86Å; M107-L111 HydrophobicContact CE-CG 3.76Å; M107-L111 HydrophobicContact CG-CD1 4.28Å; M107-L111 WeakPolarHBondContact O-CG 3.48Å; M107-L111 PolarHBondContact O-N 3.37Å; Y108-L111 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 3.12Å; L111-A115 WeakPolarHBondContact O-CB 3.27Å; L111-A115 PolarHBondContact O-N 3.2Å; L111-M185 HydrophobicContact CD2-CE 3.73Å; L111-A277 HydrophobicContact CD2-CB 4.49Å; L111-A280 HydrophobicContact CD1-CB 3.83Å; L111-A280 HydrophobicContact CD2-CB 3.93Å; L111-L281 HydrophobicContact CB-CD2 3.72Å; L111-L281 HydrophobicContact CB-CG 3.89Å; L111-F286 HydrophobicContact CD1-CE2 3.53Å; L111-F286 HydrophobicContact CD1-CZ 3.75Å
112K98.3Very high96.6Very high65 Ų6526.2 Ų26.228%0.28313%0.133SC..Hα-helixtrans-61.8-43.6173.8-76.6-151.470.6165.90112.5Y108 Q109 L110 L114 F116 L281Y108-K112 HydrophobicContact CD1-CD 4.24Å; Y108-K112 HydrophobicContact CD1-CG 4.25Å; Y108-K112 HydrophobicContact CE1-CD 3.52Å; Y108-K112 HydrophobicContact CE1-CG 3.9Å; Y108-K112 WeakPolarHBondContact O-CG 3.45Å; Y108-K112 PolarHBondContact O-N 3.39Å; Q109-K112 PolarHBondContact O-N 2.77Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 2.98Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-F116 WeakPolarHBondContact O-CB 3.07Å; K112-F116 PolarHBondContact O-N 3.34Å; K112-L281 HydrophobicContact CG-CD1 4.1Å; K112-L281 HydrophobicContact CG-CD2 3.69Å
113G98.3Very high96.5Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-59.5-45.7174.200000111.8Q109 L110 F116 C117Q109-G113 PolarHBondContact O-N 3.45Å; L110-G113 PolarHBondContact O-N 2.92Å; G113-F116 PolarHBondContact O-N 2.97Å; G113-C117 PolarHBondContact O-N 3.38Å; G113-C117 PolarHBondContact O-SG 3.4Å; G113-C117 VanDerWaalsContact O-SG 3.4Å
114L98.4Very high96.4Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-68.2-44.5-179.8-68.9176.3000113.2L110 L111 K112 F116 C117 H118 H124 L127 L142 D184 A188 A277L110-L114 HydrophobicContact CD1-CD1 3.85Å; L110-L114 HydrophobicContact CD1-CG 4.1Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.16Å; L111-L114 PolarHBondContact O-N 3.12Å; K112-L114 VanDerWaalsContact C-N 3.34Å; L114-F116 PolarHBondContact O-N 2.97Å; L114-C117 WeakPolarHBondContact O-CB 3.34Å; L114-C117 PolarHBondContact O-N 2.96Å; L114-C117 VanDerWaalsContact O-N 3.08Å; L114-H118 WeakPolarHBondContact O-CB 3.48Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 2.86Å; L114-H124 HydrophobicContact CD2-CB 4.47Å; L114-L127 HydrophobicContact CD1-CD1 3.7Å; L114-L127 HydrophobicContact CD2-CD1 3.78Å; L114-L127 HydrophobicContact CD2-CD2 4.28Å; L114-L127 HydrophobicContact CD2-CG 4.44Å; L114-L127 HydrophobicContact CG-CD1 4.32Å; L114-L142 HydrophobicContact CD2-CD1 3.81Å; L114-L142 HydrophobicContact CG-CD1 4.16Å; L114-D184 HydrophobicContact CD1-CB 4.47Å; L114-D184 HydrophobicContact CD2-CB 4.15Å; L114-A188 HydrophobicContact CD1-CB 3.99Å; L114-A277 HydrophobicContact CB-CB 4.16Å
115A98.4Very high96.1Very high20 Ų2023.8 Ų23.817%0.16512%0.12CC..Hα-helixtrans-56.6-39.3175.300000111.4L111 H118 S119 A277 L281L111-A115 WeakPolarHBondContact O-CB 3.27Å; L111-A115 PolarHBondContact O-N 3.2Å; A115-H118 PolarHBondContact O-N 2.94Å; A115-S119 WeakPolarHBondContact O-CB 3.07Å; A115-S119 PolarHBondContact O-N 3.33Å; A115-S119 PolarHBondContact O-OG 3.13Å; A115-A277 HydrophobicContact CB-CB 3.82Å; A115-L281 HydrophobicContact CB-CD1 3.91Å
116F98.1Very high95.9Very high29 Ų2923.6 Ų23.613%0.12712%0.117CC..Hα-helixtrans-66.6-42.2175.1-175-86.8000113.1L58 K59 H60 I63 K112 G113 L114 S119 R120L58-F116 HydrophobicContact CB-CE1 4.43Å; L58-F116 HydrophobicContact CD2-CD1 4.13Å; L58-F116 HydrophobicContact CD2-CE1 3.95Å; K59-F116 WeakPolarHBondContact O-CZ 3.47Å; H60-F116 HydrophobicContact CB-CB 4.32Å; H60-F116 HydrophobicContact CB-CD1 3.64Å; H60-F116 HydrophobicContact CB-CD2 3.89Å; H60-F116 HydrophobicContact CB-CE1 3.75Å; H60-F116 HydrophobicContact CB-CE2 3.97Å; H60-F116 HydrophobicContact CB-CG 3.69Å; H60-F116 HydrophobicContact CB-CZ 3.9Å; H60-F116 AromaticContact CD2-CD2 3.54Å; H60-F116 AromaticContact CD2-CG 3.84Å; H60-F116 AromaticContact CG-CD2 3.9Å; H60-F116 AromaticContact CG-CG 3.78Å; I63-F116 HydrophobicContact CD1-CD1 3.54Å; I63-F116 HydrophobicContact CD1-CE1 4.12Å; I63-F116 HydrophobicContact CD1-CG 4.42Å; K112-F116 WeakPolarHBondContact O-CB 3.07Å; K112-F116 PolarHBondContact O-N 3.34Å; G113-F116 PolarHBondContact O-N 2.97Å; L114-F116 PolarHBondContact O-N 2.97Å; F116-S119 PolarHBondContact O-OG 2.96Å; F116-R120 VanDerWaalsContact CD2-NH1 3.25Å; F116-R120 VanDerWaalsContact CZ-NE 3.28Å; F116-R120 VanDerWaalsContact CZ-NH1 3.26Å; F116-R120 PolarHBondContact O-N 2.73Å
117C96.7Very high95.8Very high0 Ų023.4 Ų23.40%012%0.117CC..Hα-helixtrans-61.7-48.2173.5-70.10000111.4I63 G113 L114 S119 R120 N121 V122I63-C117 WeakPolarHBondContact CD1-SG 3.19Å; G113-C117 PolarHBondContact O-N 3.38Å; G113-C117 PolarHBondContact O-SG 3.4Å; G113-C117 VanDerWaalsContact O-SG 3.4Å; L114-C117 WeakPolarHBondContact O-CB 3.34Å; L114-C117 PolarHBondContact O-N 2.96Å; L114-C117 VanDerWaalsContact O-N 3.08Å; C117-S119 PolarHBondContact O-N 3.06Å; C117-R120 CarbonylContact O-C 3.5Å; C117-R120 PolarHBondContact O-N 3.17Å; C117-N121 PolarHBondContact O-N 2.65Å; C117-V122 CarbonylContact C-O 3.52Å; C117-V122 HydrophobicContact CB-CB 4.35Å; C117-V122 PolarHBondContact O-N 3.49Å
118H96.4Very high95.7Very high22 Ų2225.1 Ų25.110%0.10212%0.124CC..Hα-helixtrans-64.9-40.8-175.7-67.3176000112.1L114 A115 R120 N121 V122 T181 D184L114-H118 WeakPolarHBondContact O-CB 3.48Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 2.86Å; A115-H118 PolarHBondContact O-N 2.94Å; H118-R120 PolarHBondContact O-N 3.15Å; H118-N121 PolarHBondContact O-N 2.96Å; H118-V122 PolarHBondContact CD2-O 3.47Å; H118-T181 HydrophobicContact CB-CG2 3.66Å; H118-T181 WeakPolarHBondContact ND1-CB 3.33Å; H118-D184 IonicContact CD2-OD2 2.67Å; H118-D184 IonicContact CE1-OD2 3.73Å; H118-D184 IonicContact NE2-OD2 3.04Å; H118-D184 PolarHBondContact NE2-OD2 3.03Å
119S96.1Very high95.6Very high80 Ų8023.1 Ų23.156%0.55912%0.116SC*.Hα-helixtrans-65.9-18.2173.659.80000114.1A115 F116 C117A115-S119 WeakPolarHBondContact O-CB 3.07Å; A115-S119 PolarHBondContact O-N 3.33Å; A115-S119 PolarHBondContact O-OG 3.13Å; F116-S119 PolarHBondContact O-OG 2.96Å; C117-S119 PolarHBondContact O-N 3.06Å
120R93.9Very high95.4Very high117 Ų11726.4 Ų26.444%0.44213%0.132SC..THydrogen-bonded Turntrans-100.316.6173.1-77.7172.4175.363.14.1113.2L58 F116 C117 H118 V122L58-R120 HydrophobicContact CD2-CB 4.2Å; F116-R120 VanDerWaalsContact CD2-NH1 3.25Å; F116-R120 VanDerWaalsContact CZ-NE 3.28Å; F116-R120 VanDerWaalsContact CZ-NH1 3.26Å; F116-R120 PolarHBondContact O-N 2.73Å; C117-R120 CarbonylContact O-C 3.5Å; C117-R120 PolarHBondContact O-N 3.17Å; H118-R120 PolarHBondContact O-N 3.15Å; R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CB-CG2 4.45Å; R120-V122 PolarHBondContact O-N 3.19Å
121N91.2Very high95.2Very high80 Ų8027 Ų2743%0.42814%0.135SC..THydrogen-bonded Turntrans55.738.1-177.7-56.9102.9000113.7C117 H118 A150 F151C117-N121 PolarHBondContact O-N 2.65Å; H118-N121 PolarHBondContact O-N 2.96Å; N121-A150 CarbonylContact O-C 3.44Å; N121-A150 WeakPolarHBondContact O-CA 3.21Å; N121-F151 HydrophobicContact CB-CD1 4.09Å; N121-F151 HydrophobicContact CB-CD2 4.36Å; N121-F151 HydrophobicContact CB-CE1 4.07Å; N121-F151 HydrophobicContact CB-CE2 4.29Å; N121-F151 HydrophobicContact CB-CG 4.27Å; N121-F151 HydrophobicContact CB-CZ 4.15Å; N121-F151 WeakPolarHBondContact CB-O 3.48Å; N121-F151 VanDerWaalsContact ND2-CE2 3.34Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.08Å; N121-F151 WeakPolarHBondContact O-CD1 3.46Å; N121-F151 PolarHBondContact O-N 3.21Å
122V91.3Very high95.2Very high7 Ų727 Ų274%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-112.7128.4175.4-1770000110.8L54 L58 C117 H118 R120 F145 A148L54-V122 HydrophobicContact CD1-CG1 4.33Å; L54-V122 HydrophobicContact CD2-CG1 4.25Å; L54-V122 HydrophobicContact CD2-CG2 3.88Å; L58-V122 HydrophobicContact CD1-CB 4.49Å; L58-V122 HydrophobicContact CD1-CG1 4.16Å; L58-V122 HydrophobicContact CD1-CG2 4.36Å; L58-V122 HydrophobicContact CD2-CG2 4.16Å; C117-V122 CarbonylContact C-O 3.52Å; C117-V122 HydrophobicContact CB-CB 4.35Å; C117-V122 PolarHBondContact O-N 3.49Å; H118-V122 PolarHBondContact CD2-O 3.47Å; R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CB-CG2 4.45Å; R120-V122 PolarHBondContact O-N 3.19Å; V122-F145 HydrophobicContact CG1-CD1 4.49Å; V122-A148 HydrophobicContact CG1-CB 4.25Å
123L92.1Very high95.1Very high1 Ų125.8 Ų25.81%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-96.8136168.1-55-178.1000110R125 A148 R149 F151 Y179 T181L123-R125 HydrophobicContact CB-CG 3.66Å; L123-A148 CarbonylContact O-C 3.6Å; L123-A148 WeakPolarHBondContact O-CA 3.28Å; L123-A148 VanDerWaalsContact O-CB 3.25Å; L123-A148 WeakPolarHBondContact O-CB 3.26Å; L123-R149 PolarHBondContact N-O 3.43Å; L123-R149 PolarHBondContact O-N 2.91Å; L123-F151 HydrophobicContact CD1-CD1 4.44Å; L123-F151 HydrophobicContact CD2-CD1 3.61Å; L123-F151 HydrophobicContact CD2-CE1 3.64Å; L123-F151 HydrophobicContact CD2-CG 4.44Å; L123-F151 HydrophobicContact CG-CB 4.47Å; L123-F151 HydrophobicContact CG-CD1 3.62Å; L123-F151 HydrophobicContact CG-CE1 4.16Å; L123-F151 HydrophobicContact CG-CG 4.33Å; L123-Y179 HydrophobicContact CD1-CD2 4.04Å; L123-Y179 HydrophobicContact CD1-CE2 4.29Å; L123-T181 HydrophobicContact CD2-CG2 3.91Å
124H93.3Very high95Very high0 Ų025.9 Ų25.90%013%0.132CC..  trans-77.7-51.5178.5-170-85.7000111.9L114 D126 L127 A143 F145 A148 D184L114-H124 HydrophobicContact CD2-CB 4.47Å; H124-D126 PolarHBondContact CE1-O 3.33Å; H124-D126 PolarHBondContact ND1-N 3.4Å; H124-D126 PolarHBondContact O-N 3.13Å; H124-D126 VanDerWaalsContact O-N 3.12Å; H124-L127 HydrophobicContact CB-CD2 4.48Å; H124-L127 HydrophobicContact CB-CG 4.23Å; H124-L127 PolarHBondContact ND1-N 3.44Å; H124-A143 PolarHBondContact CE1-O 3.08Å; H124-A143 PolarHBondContact NE2-O 3.48Å; H124-F145 AromaticContact CD2-CE1 3.85Å; H124-F145 AromaticContact CD2-CZ 3.78Å; H124-A148 WeakPolarHBondContact O-CA 3.49Å; H124-A148 PolarHBondContact O-N 3.33Å; H124-D184 PolarHBondContact N-OD1 3.38Å; H124-D184 PolarHBondContact N-OD2 3.35Å
125R91.1Very high94.8Very high7 Ų726.9 Ų26.93%0.02614%0.137CC..  trans63.46.6174.1-47.4-171.3-61.9160.43.7117.3L123 L147 V162 V163 Y179 I183 D184L123-R125 HydrophobicContact CB-CG 3.66Å; R125-L147 PolarHBondContact NE-O 3.43Å; R125-L147 PolarHBondContact NH2-O 2.92Å; R125-V162 HydrophobicContact CB-CB 4.47Å; R125-V163 WeakPolarHBondContact O-CA 3.32Å; R125-V163 WeakPolarHBondContact O-CG2 3.39Å; R125-V163 PolarHBondContact O-N 3.29Å; R125-Y179 PolarHBondContact NH1-OH 3.44Å; R125-Y179 VanDerWaalsContact NH1-OH 3.09Å; R125-I183 HydrophobicContact CG-CG2 4.45Å; R125-D184 PolarHBondContact N-OD1 3.02Å
126D90.8Very high94.4Very high9 Ų935.8 Ų35.85%0.04817%0.166CC..  trans-144.347.8168.5-16533.3000111.7H124 K128 N131 L147 T164H124-D126 PolarHBondContact CE1-O 3.33Å; H124-D126 PolarHBondContact ND1-N 3.4Å; H124-D126 PolarHBondContact O-N 3.13Å; H124-D126 VanDerWaalsContact O-N 3.12Å; D126-K128 VanDerWaalsContact CG-NZ 3.31Å; D126-K128 PolarHBondContact O-N 2.99Å; D126-K128 IonicContact OD1-NZ 3.38Å; D126-K128 PolarHBondContact OD1-NZ 2.92Å; D126-K128 VanDerWaalsContact OD1-NZ 3.13Å; D126-K128 IonicContact OD2-NZ 3.97Å; D126-K128 PolarHBondContact OD2-NZ 2.98Å; D126-N131 PolarHBondContact O-ND2 2.86Å; D126-N131 PolarHBondContact OD2-ND2 2.97Å; D126-L147 HydrophobicContact CB-CB 4.28Å; D126-L147 HydrophobicContact CB-CD1 3.98Å; D126-T164 PolarHBondContact OD1-OG1 3.43Å; D126-T164 VanDerWaalsContact OD1-OG1 3.06Å
127L96.3Very high94.1Very high0 Ų040.5 Ų40.50%019%0.193CC..  trans-72123.5173.3-75.8175.2000110.4L110 L114 H124 L132 L142 Y167 D184 I191L110-L127 HydrophobicContact CD1-CD2 4.21Å; L114-L127 HydrophobicContact CD1-CD1 3.7Å; L114-L127 HydrophobicContact CD2-CD1 3.78Å; L114-L127 HydrophobicContact CD2-CD2 4.28Å; L114-L127 HydrophobicContact CD2-CG 4.44Å; L114-L127 HydrophobicContact CG-CD1 4.32Å; H124-L127 HydrophobicContact CB-CD2 4.48Å; H124-L127 HydrophobicContact CB-CG 4.23Å; H124-L127 PolarHBondContact ND1-N 3.44Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; L127-L142 HydrophobicContact CD2-CD2 3.95Å; L127-Y167 WeakPolarHBondContact O-CB 3.46Å; L127-D184 HydrophobicContact CD1-CB 3.79Å; L127-D184 WeakPolarHBondContact CD1-O 3.31Å; L127-I191 HydrophobicContact CB-CD1 4.07Å
128K95.1Very high93.9Very high36 Ų3641.9 Ų41.916%0.15721%0.207CC..SBendtrans-161.8160.1174.759.8-172.4178.2-137.50108.8D126 Q130 N131 T164 Y167D126-K128 VanDerWaalsContact CG-NZ 3.31Å; D126-K128 PolarHBondContact O-N 2.99Å; D126-K128 IonicContact OD1-NZ 3.38Å; D126-K128 PolarHBondContact OD1-NZ 2.92Å; D126-K128 VanDerWaalsContact OD1-NZ 3.13Å; D126-K128 IonicContact OD2-NZ 3.97Å; D126-K128 PolarHBondContact OD2-NZ 2.98Å; K128-Q130 HydrophobicContact CG-CB 4.36Å; K128-Q130 VanDerWaalsContact CG-OE1 3.29Å; K128-Q130 PolarHBondContact O-N 2.94Å; K128-Q130 VanDerWaalsContact O-N 3.09Å; K128-N131 WeakPolarHBondContact CE-ND2 3.46Å; K128-N131 HydrophobicContact CG-CB 4.18Å; K128-N131 PolarHBondContact O-N 3.07Å; K128-T164 WeakPolarHBondContact CD-OG1 3.19Å; K128-T164 PolarHBondContact NZ-OG1 2.96Å; K128-Y167 HydrophobicContact CB-CD2 3.76Å; K128-Y167 HydrophobicContact CB-CE2 3.58Å; K128-Y167 HydrophobicContact CB-CG 4.35Å
129P96.1Very high93.9Very high0 Ų044.2 Ų44.20%022%0.218CC..G310 helixtrans-53.1-33.1-178.6-29.536.7000114.8L87 K88 F91 N131 L132 Y167 E194L87-P129 HydrophobicContact CB-CB 4.11Å; L87-P129 WeakPolarHBondContact CB-O 3.3Å; L87-P129 HydrophobicContact CD2-CB 4.17Å; L87-P129 HydrophobicContact CG-CB 4.16Å; L87-P129 PolarHBondContact N-O 3.04Å; K88-P129 HydrophobicContact CB-CB 4.04Å; F91-P129 HydrophobicContact CE2-CB 4.19Å; F91-P129 HydrophobicContact CE2-CG 4.15Å; P129-N131 PolarHBondContact O-N 3.38Å; P129-L132 PolarHBondContact O-N 3.47Å; P129-Y167 WeakPolarHBondContact CD-OH 3.42Å; P129-E194 WeakPolarHBondContact CG-OE2 3.44Å
130Q93.8Very high94Very high81 Ų8140.5 Ų40.538%0.37919%0.192SC..G310 helixtrans-67.5-22178.6-59.3805.600113.5K88 K128K88-Q130 HydrophobicContact CB-CG 4.07Å; K88-Q130 HydrophobicContact CG-CG 4.5Å; K128-Q130 HydrophobicContact CG-CB 4.36Å; K128-Q130 VanDerWaalsContact CG-OE1 3.29Å; K128-Q130 PolarHBondContact O-N 2.94Å; K128-Q130 VanDerWaalsContact O-N 3.09Å
131N95.1Very high94.2Very high12 Ų1235.5 Ų35.56%0.06417%0.173CC..G310 helixtrans-100.27.8-179.7-69.4-2.3000112.2D126 K128 P129 A143D126-N131 PolarHBondContact O-ND2 2.86Å; D126-N131 PolarHBondContact OD2-ND2 2.97Å; K128-N131 WeakPolarHBondContact CE-ND2 3.46Å; K128-N131 HydrophobicContact CG-CB 4.18Å; K128-N131 PolarHBondContact O-N 3.07Å; P129-N131 PolarHBondContact O-N 3.38Å; N131-A143 PolarHBondContact O-N 3.41Å
132L97.6Very high94.5Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-109.7110.1173.5-59-177000108.3D86 L87 L110 L127 P129 L140 L142 I191D86-L132 CarbonylContact C-O 3.54Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.44Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.42Å; L87-L132 HydrophobicContact CD2-CD1 3.72Å; L87-L132 PolarHBondContact N-O 3.25Å; L110-L132 HydrophobicContact CD1-CD2 4.03Å; L110-L132 HydrophobicContact CD2-CD1 4.32Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; P129-L132 PolarHBondContact O-N 3.47Å; L132-L140 HydrophobicContact CB-CD1 4.44Å; L132-L140 HydrophobicContact CB-CG 4.48Å; L132-L140 HydrophobicContact CD1-CD1 4.42Å; L132-L140 HydrophobicContact CD2-CD2 4.25Å; L132-L142 HydrophobicContact CD2-CD2 3.39Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.9Å
133L97.1Very high94.6Very high41 Ų4131.8 Ų31.822%0.21515%0.154CC..EExtended strand (participates in β ladder)trans-92.5144.7-178.8-57.4-177.7000110.6V64 C83 D86 L140 K141 A143V64-L133 HydrophobicContact CG2-CD1 4.12Å; C83-L133 HydrophobicContact CB-CB 3.63Å; C83-L133 HydrophobicContact CB-CD1 4.15Å; C83-L133 HydrophobicContact CB-CG 4.41Å; D86-L133 HydrophobicContact CB-CD2 4.11Å; L133-L140 CarbonylContact O-C 3.47Å; L133-L140 WeakPolarHBondContact O-CA 3.36Å; L133-K141 HydrophobicContact CB-CB 4.48Å; L133-K141 PolarHBondContact N-O 3.07Å; L133-K141 PolarHBondContact O-N 3.03Å; L133-A143 HydrophobicContact CD1-CB 3.59Å; L133-A143 HydrophobicContact CG-CB 3.66Å
134I96.6Very high94.2Very high2 Ų233.9 Ų33.91%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-128.3130.3-179.4-56.9168.2000108.2D84 Q85 L87 Y90 F106 E139D84-I134 PolarHBondContact N-O 3.07Å; D84-I134 VanDerWaalsContact N-O 3.16Å; Q85-I134 HydrophobicContact CG-CB 4.47Å; Q85-I134 PolarHBondContact N-O 3.1Å; Q85-I134 PolarHBondContact O-N 3.1Å; L87-I134 HydrophobicContact CB-CD1 4.05Å; L87-I134 HydrophobicContact CD1-CD1 3.69Å; L87-I134 HydrophobicContact CG-CD1 4.49Å; Y90-I134 HydrophobicContact CD1-CD1 4.33Å; Y90-I134 HydrophobicContact CD2-CD1 3.82Å; Y90-I134 HydrophobicContact CD2-CG2 4.3Å; Y90-I134 HydrophobicContact CE2-CG2 4.49Å; Y90-I134 HydrophobicContact CG-CD1 3.69Å; F106-I134 HydrophobicContact CD2-CD1 4.49Å; F106-I134 HydrophobicContact CE1-CD1 4.4Å; F106-I134 HydrophobicContact CE1-CG2 4.25Å; F106-I134 HydrophobicContact CE2-CD1 3.8Å; F106-I134 HydrophobicContact CZ-CD1 3.75Å; F106-I134 HydrophobicContact CZ-CG1 4.32Å; F106-I134 HydrophobicContact CZ-CG2 4.04Å; I134-E139 WeakPolarHBondContact CA-O 3.39Å
135N93.3Very high93.8Very high21 Ų2133.9 Ų33.911%0.11217%0.166CC..  trans-98.2170.8171.572.114.8000112D84 N137 G138 E139D84-N135 WeakPolarHBondContact OD2-CA 3.46Å; N135-N137 PolarHBondContact O-N 2.95Å; N135-N137 VanDerWaalsContact O-N 3.07Å; N135-N137 WeakPolarHBondContact OD1-CA 3.46Å; N135-N137 WeakPolarHBondContact OD1-CB 3.25Å; N135-N137 PolarHBondContact OD1-N 2.75Å; N135-G138 PolarHBondContact O-N 3.34Å; N135-G138 PolarHBondContact OD1-N 3.45Å; N135-E139 PolarHBondContact N-O 3.33Å; N135-E139 PolarHBondContact ND2-OE2 3.28Å; N135-E139 WeakPolarHBondContact OD1-CB 3.4Å; N135-E139 PolarHBondContact OD1-N 3.43Å
136R90.4Very high92.9Very high206 Ų20633.6 Ų33.678%0.77717%0.165SC*.THydrogen-bonded Turntrans-54.6-23.5176.9-78.6164.9-162.9-142-3.4115.2D84 G138D84-R136 IonicContact OD1-CZ 2.73Å; D84-R136 IonicContact OD1-NE 3.43Å; D84-R136 PolarHBondContact OD1-NE 3.21Å; D84-R136 IonicContact OD1-NH2 3.19Å; D84-R136 WeakPolarHBondContact OD2-CG 3.32Å; D84-R136 PolarHBondContact OD2-N 3.17Å; D84-R136 IonicContact OD2-NE 2.62Å; R136-G138 PolarHBondContact O-N 2.88Å
137N91.7Very high92Very high129 Ų12935.7 Ų35.769%0.6918%0.176SC*.THydrogen-bonded Turntrans-840.6179.5-59.4-24.4000112.3N135 E139N135-N137 PolarHBondContact O-N 2.95Å; N135-N137 VanDerWaalsContact O-N 3.07Å; N135-N137 WeakPolarHBondContact OD1-CA 3.46Å; N135-N137 WeakPolarHBondContact OD1-CB 3.25Å; N135-N137 PolarHBondContact OD1-N 2.75Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.17Å
138G92.5Very high90.8Very high28 Ų2835.7 Ų35.729%0.28918%0.176SC..  trans75.718.4-174.900000113.3Q109 N135 R136Q109-G138 PolarHBondContact NE2-O 2.86Å; N135-G138 PolarHBondContact O-N 3.34Å; N135-G138 PolarHBondContact OD1-N 3.45Å; R136-G138 PolarHBondContact O-N 2.88Å
139E96.1Very high89.8Confident72 Ų7237.9 Ų37.934%0.33618%0.183SC..  trans-83.4126.9175-56.5179.5135.100110.3Q109 I134 N135 N137Q109-E139 VanDerWaalsContact OE1-CA 3.26Å; I134-E139 WeakPolarHBondContact CA-O 3.39Å; N135-E139 PolarHBondContact N-O 3.33Å; N135-E139 PolarHBondContact ND2-OE2 3.28Å; N135-E139 WeakPolarHBondContact OD1-CB 3.4Å; N135-E139 PolarHBondContact OD1-N 3.43Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.17Å
140L97.8Very high88.4Confident1 Ų140.8 Ų40.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-96.1131.9175.6-175.5153.6000110.3N62 F106 Q109 L110 L132 L133N62-L140 WeakPolarHBondContact CA-O 3.41Å; N62-L140 WeakPolarHBondContact CB-O 3.4Å; N62-L140 PolarHBondContact ND2-O 3.19Å; F106-L140 HydrophobicContact CB-CD1 3.72Å; F106-L140 HydrophobicContact CD1-CB 4.09Å; F106-L140 HydrophobicContact CD1-CD1 4.12Å; F106-L140 HydrophobicContact CG-CD1 3.93Å; Q109-L140 HydrophobicContact CB-CB 3.97Å; L110-L140 HydrophobicContact CB-CD2 4.13Å; L132-L140 HydrophobicContact CB-CD1 4.44Å; L132-L140 HydrophobicContact CB-CG 4.48Å; L132-L140 HydrophobicContact CD1-CD1 4.42Å; L132-L140 HydrophobicContact CD2-CD2 4.25Å; L133-L140 CarbonylContact O-C 3.47Å; L133-L140 WeakPolarHBondContact O-CA 3.36Å
141K98.3Very high87.2Confident12 Ų1239.4 Ų39.45%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-129129.9-177.8-71.8161.7179.6-73.80111.2K61 N62 E81 L133K61-K141 WeakPolarHBondContact O-CG 3.46Å; K61-K141 PolarHBondContact O-NZ 2.84Å; N62-K141 WeakPolarHBondContact O-CA 3.41Å; E81-K141 WeakPolarHBondContact OE1-CD 3.42Å; E81-K141 IonicContact OE1-NZ 2.69Å; E81-K141 PolarHBondContact OE1-NZ 3.16Å; E81-K141 WeakPolarHBondContact OE2-CE 3.45Å; E81-K141 IonicContact OE2-NZ 2.94Å; E81-K141 PolarHBondContact OE2-NZ 3.17Å; L133-K141 HydrophobicContact CB-CB 4.48Å; L133-K141 PolarHBondContact N-O 3.07Å; L133-K141 PolarHBondContact O-N 3.03Å
142L97.8Very high85.1Confident0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-67.2132.8169.8-57.5-176.1000110.1N62 I63 V64 L110 L114 L127 L132 F145N62-L142 WeakPolarHBondContact O-CG 3.41Å; N62-L142 PolarHBondContact O-N 2.8Å; I63-L142 HydrophobicContact CG1-CB 4.39Å; I63-L142 HydrophobicContact CG1-CD1 4.38Å; V64-L142 WeakPolarHBondContact CB-O 3.42Å; V64-L142 WeakPolarHBondContact CG1-O 3.33Å; V64-L142 PolarHBondContact N-O 2.84Å; L110-L142 HydrophobicContact CD1-CD2 3.5Å; L114-L142 HydrophobicContact CD2-CD1 3.81Å; L114-L142 HydrophobicContact CG-CD1 4.16Å; L127-L142 HydrophobicContact CD2-CD2 3.95Å; L132-L142 HydrophobicContact CD2-CD2 3.39Å; L142-F145 HydrophobicContact CB-CE2 4.15Å; L142-F145 HydrophobicContact CB-CZ 4.16Å
143A93Very high83Confident9 Ų948.5 Ų48.57%0.07426%0.263CS..  trans-135.8170.2178.800000112.4V64 H124 N131 L133V64-A143 HydrophobicContact CB-CB 4.21Å; V64-A143 HydrophobicContact CG1-CB 3.87Å; H124-A143 PolarHBondContact CE1-O 3.08Å; H124-A143 PolarHBondContact NE2-O 3.48Å; N131-A143 PolarHBondContact O-N 3.41Å; L133-A143 HydrophobicContact CD1-CB 3.59Å; L133-A143 HydrophobicContact CG-CB 3.66Å
144D85.1Confident80.6Confident45 Ų4552.8 Ų52.824%0.24129%0.293CS..  trans60.472.3179.3-156.112.5000114.9K33 G146K33-D144 IonicContact NZ-OD1 2.9Å; K33-D144 PolarHBondContact NZ-OD1 3.45Å; D144-G146 PolarHBondContact O-N 3.28Å
145F84Confident78.6Confident0 Ų054.8 Ų54.80%031%0.305CS..G310 helixtrans-83.916177-75-107000112.6E51 L55 L58 I63 V122 H124 L142 L147 A148E51-F145 HydrophobicContact CG-CB 4.36Å; L55-F145 HydrophobicContact CD2-CD2 3.72Å; L55-F145 HydrophobicContact CD2-CE2 4.06Å; L55-F145 HydrophobicContact CD2-CG 4.16Å; L55-F145 HydrophobicContact CG-CB 4.42Å; L55-F145 HydrophobicContact CG-CD2 4.42Å; L55-F145 HydrophobicContact CG-CG 4.49Å; L58-F145 HydrophobicContact CD1-CD1 3.77Å; L58-F145 HydrophobicContact CD1-CE1 3.39Å; L58-F145 HydrophobicContact CD1-CZ 4.07Å; I63-F145 HydrophobicContact CG2-CE2 3.78Å; I63-F145 HydrophobicContact CG2-CZ 3.79Å; V122-F145 HydrophobicContact CG1-CD1 4.49Å; H124-F145 AromaticContact CD2-CE1 3.85Å; H124-F145 AromaticContact CD2-CZ 3.78Å; L142-F145 HydrophobicContact CB-CE2 4.15Å; L142-F145 HydrophobicContact CB-CZ 4.16Å; F145-L147 PolarHBondContact O-N 2.71Å; F145-A148 HydrophobicContact CB-CB 3.77Å; F145-A148 HydrophobicContact CD1-CB 3.56Å; F145-A148 HydrophobicContact CG-CB 4.07Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.42Å; F145-A148 PolarHBondContact O-N 2.81Å
146G72.7Confident76.5Confident1 Ų165.5 Ų65.51%0.0134%0.344CS..G310 helixtrans-60.7-29.3-179.100000113.8D144D144-G146 PolarHBondContact O-N 3.28Å
147L71.8Confident74.6Confident53 Ų5359.3 Ų59.328%0.27733%0.332SS..G310 helixtrans-100.11.9172.5-63.3-178.1000113.2R125 D126 F145R125-L147 PolarHBondContact NE-O 3.43Å; R125-L147 PolarHBondContact NH2-O 2.92Å; D126-L147 HydrophobicContact CB-CB 4.28Å; D126-L147 HydrophobicContact CB-CD1 3.98Å; F145-L147 PolarHBondContact O-N 2.71Å
148A70.6Confident73.1Confident0 Ų054.2 Ų54.20%030%0.303CS..  trans-69.7158.1178.300000111.8R50 L54 V122 L123 H124 F145R50-A148 WeakPolarHBondContact CD-O 3.4Å; L54-A148 HydrophobicContact CD1-CB 3.61Å; V122-A148 HydrophobicContact CG1-CB 4.25Å; L123-A148 CarbonylContact O-C 3.6Å; L123-A148 WeakPolarHBondContact O-CA 3.28Å; L123-A148 VanDerWaalsContact O-CB 3.25Å; L123-A148 WeakPolarHBondContact O-CB 3.26Å; H124-A148 WeakPolarHBondContact O-CA 3.49Å; H124-A148 PolarHBondContact O-N 3.33Å; F145-A148 HydrophobicContact CB-CB 3.77Å; F145-A148 HydrophobicContact CD1-CB 3.56Å; F145-A148 HydrophobicContact CG-CB 4.07Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.42Å; F145-A148 PolarHBondContact O-N 2.81Å
149R74.1Confident71.5Confident83 Ų8355.8 Ų55.831%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-151.5141179.7-163.7172.2179147.7-0.1111.9L123L123-R149 PolarHBondContact N-O 3.43Å; L123-R149 PolarHBondContact O-N 2.91Å
150A67.1Low69.5Low61 Ų6153.3 Ų53.350%0.50430%0.301SS..EExtended strand (participates in β ladder)trans-68.5139.6166.800000110.8N121N121-A150 CarbonylContact O-C 3.44Å; N121-A150 WeakPolarHBondContact O-CA 3.21Å
151F68.4Low67.7Low51 Ų5161.7 Ų61.722%0.22434%0.341CS..  trans-117.6165.6174.870.5-91.2000111.3N121 L123 T181N121-F151 HydrophobicContact CB-CD1 4.09Å; N121-F151 HydrophobicContact CB-CD2 4.36Å; N121-F151 HydrophobicContact CB-CE1 4.07Å; N121-F151 HydrophobicContact CB-CE2 4.29Å; N121-F151 HydrophobicContact CB-CG 4.27Å; N121-F151 HydrophobicContact CB-CZ 4.15Å; N121-F151 WeakPolarHBondContact CB-O 3.48Å; N121-F151 VanDerWaalsContact ND2-CE2 3.34Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.08Å; N121-F151 WeakPolarHBondContact O-CD1 3.46Å; N121-F151 PolarHBondContact O-N 3.21Å; L123-F151 HydrophobicContact CD1-CD1 4.44Å; L123-F151 HydrophobicContact CD2-CD1 3.61Å; L123-F151 HydrophobicContact CD2-CE1 3.64Å; L123-F151 HydrophobicContact CD2-CG 4.44Å; L123-F151 HydrophobicContact CG-CB 4.47Å; L123-F151 HydrophobicContact CG-CD1 3.62Å; L123-F151 HydrophobicContact CG-CE1 4.16Å; L123-F151 HydrophobicContact CG-CG 4.33Å; F151-T181 HydrophobicContact CE1-CG2 3.88Å; F151-T181 HydrophobicContact CZ-CG2 3.64Å
152G50.7Low65.8Low66 Ų6661.4 Ų61.468%0.6834%0.34SS*.  trans106.1-12.4178.600000116
153I54.4Low64.2Low137 Ų13761.7 Ų61.770%0.70334%0.341SS*.SBendtrans-87.1138162.6-58.5175.2000107.3V155I153-V155 VanDerWaalsContact O-CG2 3.22Å; I153-V155 WeakPolarHBondContact O-CG2 3.46Å; I153-V155 PolarHBondContact O-N 2.75Å
154P46.6Very low63.6Low132 Ų13263.7 Ų63.786%0.85735%0.353SS*.  trans-57.5100.4176.1-21.831.5000110.8
155V54.5Low64Low43 Ų4363.2 Ų63.226%0.26135%0.35SS..  trans-99.9127.7175.4-168.40000107.6I153 C157 Y158I153-V155 VanDerWaalsContact O-CG2 3.22Å; I153-V155 WeakPolarHBondContact O-CG2 3.46Å; I153-V155 PolarHBondContact O-N 2.75Å; V155-C157 VanDerWaalsContact C-N 3.28Å; V155-C157 WeakPolarHBondContact CG1-O 3.43Å; V155-C157 PolarHBondContact O-N 2.92Å; V155-Y158 HydrophobicContact CB-CE1 4.14Å; V155-Y158 HydrophobicContact CG1-CD1 4.45Å; V155-Y158 HydrophobicContact CG1-CE1 4.34Å; V155-Y158 HydrophobicContact CG2-CE1 3.94Å
156R49.1Very low64.6Low247 Ų24768 Ų6893%0.93237%0.368SS*.SBendtrans-57.3-39-178.7-84.4-176.1171.4-177-2.5112.7
157C50.9Low65.8Low76 Ų7668.2 Ų68.251%0.51437%0.369SS..  trans-157145.7174.7-67.20000110.5V155 K177V155-C157 VanDerWaalsContact C-N 3.28Å; V155-C157 WeakPolarHBondContact CG1-O 3.43Å; V155-C157 PolarHBondContact O-N 2.92Å; C157-K177 HydrophobicContact CB-CB 4.23Å
158Y59.3Low66.9Low21 Ų2167.6 Ų67.68%0.08236%0.363CS..  trans-94.4153.8160.9-61.3-71.3000111.2V155 K177 Y179V155-Y158 HydrophobicContact CB-CE1 4.14Å; V155-Y158 HydrophobicContact CG1-CD1 4.45Å; V155-Y158 HydrophobicContact CG1-CE1 4.34Å; V155-Y158 HydrophobicContact CG2-CE1 3.94Å; Y158-K177 PolarHBondContact N-O 3.09Å; Y158-Y179 VanDerWaalsContact CB-OH 3.23Å; Y158-Y179 WeakPolarHBondContact CB-OH 3.36Å; Y158-Y179 HydrophobicContact CD2-CD2 4.28Å; Y158-Y179 HydrophobicContact CD2-CE2 4.13Å; Y158-Y179 AromaticContact CG-CE2 3.92Å; Y158-Y179 HydrophobicContact CG-CE2 3.92Å; Y158-Y179 AromaticContact CG-CZ 3.97Å
159S59.8Low68.2Low61 Ų6167.6 Ų67.643%0.42736%0.363SS..  trans-67.6133.4178.656.30000110.6V162 Y179S159-V162 WeakPolarHBondContact O-CG2 3.34Å; S159-V162 VanDerWaalsContact OG-CG1 3.24Å; S159-V162 WeakPolarHBondContact OG-CG1 3.37Å; S159-Y179 WeakPolarHBondContact O-CE1 3.44Å; S159-Y179 PolarHBondContact O-OH 3.04Å
160A53.3Low69.3Low21 Ų2163.7 Ų63.717%0.17435%0.348CS..SBendtrans-79.3-24.817900000112.6V162 V172A160-V162 PolarHBondContact O-N 2.78Å; A160-V172 WeakPolarHBondContact O-CG1 3.43Å
161E60.2Low70.7Confident177 Ų17761 Ų6183%0.82733%0.325SS*.SBendtrans-80.666.4173-65.9-176.2177.100111.2
162V58.8Low72Confident5 Ų558.8 Ų58.83%0.0332%0.316CS..  trans-128.6160172-650000109.1R125 S159 A160 R168 V172 Y179 I183R125-V162 HydrophobicContact CB-CB 4.47Å; S159-V162 WeakPolarHBondContact O-CG2 3.34Å; S159-V162 VanDerWaalsContact OG-CG1 3.24Å; S159-V162 WeakPolarHBondContact OG-CG1 3.37Å; A160-V162 PolarHBondContact O-N 2.78Å; V162-R168 PolarHBondContact O-NE 3.31Å; V162-R168 PolarHBondContact O-NH2 3.24Å; V162-V172 HydrophobicContact CG2-CG1 4.48Å; V162-Y179 HydrophobicContact CG2-CE1 4.26Å; V162-Y179 WeakPolarHBondContact CG2-OH 3.42Å; V162-I183 HydrophobicContact CG2-CD1 3.98Å
163V63.1Low74.2Confident6 Ų656 Ų564%0.03629%0.285CS..SBendtrans67.1137-174.7-1650000112.7R125 L165 Y167 R168 I183R125-V163 WeakPolarHBondContact O-CA 3.32Å; R125-V163 WeakPolarHBondContact O-CG2 3.39Å; R125-V163 PolarHBondContact O-N 3.29Å; V163-L165 PolarHBondContact O-N 3.21Å; V163-Y167 WeakPolarHBondContact CG1-O 3.46Å; V163-R168 HydrophobicContact CB-CB 4.28Å; V163-R168 HydrophobicContact CB-CG 4.44Å; V163-R168 HydrophobicContact CG1-CB 4.37Å; V163-R168 PolarHBondContact O-NE 3.48Å; V163-R168 PolarHBondContact O-NH2 2.78Å; V163-I183 HydrophobicContact CG2-CD1 3.6Å; V163-I183 HydrophobicContact CG2-CG1 3.92Å
164T81.1Confident76.2Confident52 Ų5249.6 Ų49.632%0.31925%0.252SS..  trans-58.5133.7169.4-58.30000110D126 K128 W166 Y167 R168D126-T164 PolarHBondContact OD1-OG1 3.43Å; D126-T164 VanDerWaalsContact OD1-OG1 3.06Å; K128-T164 WeakPolarHBondContact CD-OG1 3.19Å; K128-T164 PolarHBondContact NZ-OG1 2.96Å; T164-W166 PolarHBondContact O-N 2.9Å; T164-Y167 HydrophobicContact CG2-CD2 4.33Å; T164-Y167 PolarHBondContact O-N 2.75Å; T164-R168 PolarHBondContact O-N 3.34Å
165L93Very high78.4Confident34 Ų3443.3 Ų43.318%0.17821%0.212CC..G310 helixtrans-45.3-44.2-167.317962.5000114.3V163 Y167 R168 L173 G205 V208 Q211V163-L165 PolarHBondContact O-N 3.21Å; L165-Y167 PolarHBondContact O-N 3.23Å; L165-R168 WeakPolarHBondContact O-CB 3.28Å; L165-R168 PolarHBondContact O-N 2.94Å; L165-L173 HydrophobicContact CD1-CD2 3.76Å; L165-G205 WeakPolarHBondContact CD2-O 3.35Å; L165-V208 HydrophobicContact CD1-CG2 4.24Å; L165-Q211 HydrophobicContact CD1-CB 4.04Å; L165-Q211 HydrophobicContact CD1-CG 4.09Å; L165-Q211 HydrophobicContact CG-CB 4.35Å; L165-Q211 HydrophobicContact CG-CG 4.34Å; L165-Q211 PolarHBondContact O-NE2 3.24Å
166W96.9Very high80.2Confident102 Ų10241.6 Ų41.639%0.38620%0.202SC..G310 helixtrans-65.2-21.9-175.9-57-16.8000114.6T164 P201 F203 G205 Q211T164-W166 PolarHBondContact O-N 2.9Å; W166-P201 HydrophobicContact CD2-CB 4.49Å; W166-P201 HydrophobicContact CE3-CB 3.94Å; W166-P201 HydrophobicContact CE3-CG 3.68Å; W166-P201 HydrophobicContact CZ3-CB 4.46Å; W166-P201 HydrophobicContact CZ3-CG 3.77Å; W166-F203 WeakPolarHBondContact CA-O 3.23Å; W166-F203 WeakPolarHBondContact CB-O 3.32Å; W166-G205 PolarHBondContact NE1-O 3.19Å; W166-Q211 PolarHBondContact O-NE2 2.78Å
167Y97.4Very high81.8Confident5 Ų533.7 Ų33.72%0.0217%0.174CC..G310 helixtrans-109.76.2-178-54.6-85.1000112.4L127 K128 P129 V163 T164 L165 S187 C190 I191 E194L127-Y167 WeakPolarHBondContact O-CB 3.46Å; K128-Y167 HydrophobicContact CB-CD2 3.76Å; K128-Y167 HydrophobicContact CB-CE2 3.58Å; K128-Y167 HydrophobicContact CB-CG 4.35Å; P129-Y167 WeakPolarHBondContact CD-OH 3.42Å; V163-Y167 WeakPolarHBondContact CG1-O 3.46Å; T164-Y167 HydrophobicContact CG2-CD2 4.33Å; T164-Y167 PolarHBondContact O-N 2.75Å; L165-Y167 PolarHBondContact O-N 3.23Å; Y167-S187 PolarHBondContact O-OG 3.22Å; Y167-C190 HydrophobicContact CD1-CB 3.73Å; Y167-C190 HydrophobicContact CE1-CB 4.24Å; Y167-I191 HydrophobicContact CD1-CG1 4.17Å; Y167-I191 HydrophobicContact CE1-CG1 3.97Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.44Å; Y167-E194 PolarHBondContact OH-OE1 3.14Å
168R96.8Very high83.2Confident40 Ų4036.2 Ų36.215%0.15118%0.182CC..  trans-83.3134.4-177.2-168.7-178.6-68.3163.25.1110.6V162 V163 T164 L165 V172 L173 W186V162-R168 PolarHBondContact O-NE 3.31Å; V162-R168 PolarHBondContact O-NH2 3.24Å; V163-R168 HydrophobicContact CB-CB 4.28Å; V163-R168 HydrophobicContact CB-CG 4.44Å; V163-R168 HydrophobicContact CG1-CB 4.37Å; V163-R168 PolarHBondContact O-NE 3.48Å; V163-R168 PolarHBondContact O-NH2 2.78Å; T164-R168 PolarHBondContact O-N 3.34Å; L165-R168 WeakPolarHBondContact O-CB 3.28Å; L165-R168 PolarHBondContact O-N 2.94Å; R168-V172 HydrophobicContact CG-CB 3.9Å; R168-V172 HydrophobicContact CG-CG1 3.81Å; R168-L173 HydrophobicContact CB-CD2 4.27Å; R168-L173 HydrophobicContact CB-CG 4.3Å; R168-L173 HydrophobicContact CG-CD2 4.2Å; R168-L173 HydrophobicContact CG-CG 4.06Å; R168-W186 PolarHBondContact O-NE1 3.5Å
169P97.5Very high84.3Confident0 Ų035.9 Ų35.90%018%0.181CC..  trans-78.8161.4-178.334-39.5000113.3D171 V172 L173 I183 W186P169-D171 VanDerWaalsContact C-N 3.33Å; P169-D171 VanDerWaalsContact CB-OD1 3.23Å; P169-D171 WeakPolarHBondContact CB-OD1 3.38Å; P169-D171 WeakPolarHBondContact CG-OD1 3.46Å; P169-D171 PolarHBondContact O-N 3.22Å; P169-V172 HydrophobicContact CG-CB 3.96Å; P169-V172 HydrophobicContact CG-CG2 3.61Å; P169-V172 PolarHBondContact O-N 3.43Å; P169-L173 WeakPolarHBondContact O-CG 3.49Å; P169-L173 PolarHBondContact O-N 3.21Å; P169-I183 HydrophobicContact CG-CG1 3.94Å; P169-W186 HydrophobicContact CB-CB 3.69Å; P169-W186 HydrophobicContact CB-CD2 3.86Å; P169-W186 HydrophobicContact CB-CE3 4.43Å; P169-W186 HydrophobicContact CB-CG 3.48Å; P169-W186 VanDerWaalsContact CB-CG 3.48Å; P169-W186 HydrophobicContact CG-CB 4.49Å
170P97.5Very high85.7Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-55.9-39.1-178.7-29.537.6000115.2V172 L173 F174 W186 L212 I215 W227 C269P170-V172 PolarHBondContact O-N 2.98Å; P170-L173 PolarHBondContact O-N 3.2Å; P170-F174 WeakPolarHBondContact O-CB 3.37Å; P170-F174 WeakPolarHBondContact O-CD2 3.44Å; P170-F174 PolarHBondContact O-N 2.93Å; P170-W186 HydrophobicContact CG-CH2 3.82Å; P170-W186 HydrophobicContact CG-CZ2 4.22Å; P170-W186 HydrophobicContact CG-CZ3 4.03Å; P170-L212 HydrophobicContact CB-CD2 4.13Å; P170-I215 HydrophobicContact CG-CD1 4.19Å; P170-I215 HydrophobicContact CG-CG2 4.03Å; P170-W227 HydrophobicContact CB-CH2 4.03Å; P170-W227 HydrophobicContact CB-CZ3 3.89Å; P170-C269 HydrophobicContact CG-CB 4.22Å
171D96.5Very high87.7Confident4 Ų436.2 Ų36.22%0.02118%0.18CC..Hα-helixtrans-63.8-41.6-18056.1-52.5000111.8P169 F174 G175 A176 W227 P271 R274P169-D171 VanDerWaalsContact C-N 3.33Å; P169-D171 VanDerWaalsContact CB-OD1 3.23Å; P169-D171 WeakPolarHBondContact CB-OD1 3.38Å; P169-D171 WeakPolarHBondContact CG-OD1 3.46Å; P169-D171 PolarHBondContact O-N 3.22Å; D171-F174 CarbonylContact O-C 3.52Å; D171-F174 PolarHBondContact O-N 3Å; D171-G175 PolarHBondContact O-N 3.1Å; D171-A176 HydrophobicContact CB-CB 4.13Å; D171-A176 WeakPolarHBondContact O-CB 3.34Å; D171-A176 PolarHBondContact O-N 3.24Å; D171-W227 HydrophobicContact CB-CH2 3.84Å; D171-W227 HydrophobicContact CB-CZ2 3.67Å; D171-P271 HydrophobicContact CB-CG 4.03Å; D171-R274 IonicContact OD1-CZ 2.87Å; D171-R274 IonicContact OD1-NH1 2.8Å; D171-R274 PolarHBondContact OD1-NH1 3.49Å; D171-R274 IonicContact OD1-NH2 3.13Å; D171-R274 PolarHBondContact OD1-NH2 2.74Å
172V95.2Very high89.4Confident5 Ų528.1 Ų28.13%0.0314%0.143CC..Hα-helixtrans-73.8-35176.8-177.20000111A160 V162 R168 P169 P170 F174 G175 Y179 I183A160-V172 WeakPolarHBondContact O-CG1 3.43Å; V162-V172 HydrophobicContact CG2-CG1 4.48Å; R168-V172 HydrophobicContact CG-CB 3.9Å; R168-V172 HydrophobicContact CG-CG1 3.81Å; P169-V172 HydrophobicContact CG-CB 3.96Å; P169-V172 HydrophobicContact CG-CG2 3.61Å; P169-V172 PolarHBondContact O-N 3.43Å; P170-V172 PolarHBondContact O-N 2.98Å; V172-F174 PolarHBondContact O-N 3.36Å; V172-G175 PolarHBondContact O-N 3.49Å; V172-Y179 HydrophobicContact CG2-CD1 4.09Å; V172-Y179 HydrophobicContact CG2-CG 4.49Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.26Å
173L96.3Very high91.2Very high8 Ų827.9 Ų27.94%0.04214%0.142CC..Hα-helixtrans-62.2-31.2171.9-70.7164.2000112.3L165 R168 P169 P170 G175 V208 Q211 L212 I215L165-L173 HydrophobicContact CD1-CD2 3.76Å; R168-L173 HydrophobicContact CB-CD2 4.27Å; R168-L173 HydrophobicContact CB-CG 4.3Å; R168-L173 HydrophobicContact CG-CD2 4.2Å; R168-L173 HydrophobicContact CG-CG 4.06Å; P169-L173 WeakPolarHBondContact O-CG 3.49Å; P169-L173 PolarHBondContact O-N 3.21Å; P170-L173 PolarHBondContact O-N 3.2Å; L173-G175 VanDerWaalsContact C-N 3.27Å; L173-V208 HydrophobicContact CB-CG1 4.22Å; L173-V208 HydrophobicContact CD2-CB 4.38Å; L173-V208 HydrophobicContact CD2-CG1 3.95Å; L173-V208 HydrophobicContact CD2-CG2 4.24Å; L173-V208 WeakPolarHBondContact O-CG1 3.16Å; L173-Q211 HydrophobicContact CD1-CB 4.31Å; L173-Q211 HydrophobicContact CD1-CG 3.6Å; L173-Q211 HydrophobicContact CD2-CB 4.28Å; L173-Q211 HydrophobicContact CD2-CG 4.01Å; L173-Q211 HydrophobicContact CG-CG 4.49Å; L173-L212 HydrophobicContact CB-CD1 4.02Å; L173-L212 HydrophobicContact CB-CD2 3.86Å; L173-L212 HydrophobicContact CB-CG 3.88Å; L173-L212 HydrophobicContact CD1-CD2 3.93Å; L173-L212 HydrophobicContact CD1-CG 4.02Å; L173-L212 HydrophobicContact CG-CG 4.5Å; L173-I215 HydrophobicContact CD1-CD1 3.7Å
174F96.5Very high92.9Very high2 Ų227.6 Ų27.61%0.00914%0.14CC..THydrogen-bonded Turntrans-85.911.6171-73.3-52.2000114.2P170 D171 V172 L212 F216 W227 M230 L233 D235 Y236 Y239P170-F174 WeakPolarHBondContact O-CB 3.37Å; P170-F174 WeakPolarHBondContact O-CD2 3.44Å; P170-F174 PolarHBondContact O-N 2.93Å; D171-F174 CarbonylContact O-C 3.52Å; D171-F174 PolarHBondContact O-N 3Å; V172-F174 PolarHBondContact O-N 3.36Å; F174-L212 HydrophobicContact CD1-CD1 3.92Å; F174-L212 HydrophobicContact CD2-CD2 4.35Å; F174-L212 HydrophobicContact CE1-CD1 3.64Å; F174-L212 HydrophobicContact CE1-CD2 4.49Å; F174-L212 HydrophobicContact CE2-CD2 3.97Å; F174-L212 HydrophobicContact CG-CD1 4.49Å; F174-L212 HydrophobicContact CZ-CD1 3.96Å; F174-L212 HydrophobicContact CZ-CD2 4.03Å; F174-F216 HydrophobicContact CE2-CE2 4.46Å; F174-F216 AromaticContact CE2-CZ 3.84Å; F174-F216 HydrophobicContact CE2-CZ 3.84Å; F174-F216 HydrophobicContact CZ-CE2 4.09Å; F174-F216 AromaticContact CZ-CZ 3.93Å; F174-F216 HydrophobicContact CZ-CZ 3.93Å; F174-W227 HydrophobicContact CD2-CH2 4.05Å; F174-W227 HydrophobicContact CD2-CZ3 4.23Å; F174-W227 HydrophobicContact CE2-CZ3 4.25Å; F174-M230 HydrophobicContact CD2-CG 4.4Å; F174-M230 HydrophobicContact CE2-CG 4.04Å; F174-M230 HydrophobicContact CE2-SD 4.16Å; F174-L233 HydrophobicContact CB-CB 3.82Å; F174-L233 HydrophobicContact CB-CD1 3.56Å; F174-L233 HydrophobicContact CB-CG 4.32Å; F174-L233 HydrophobicContact CD2-CD1 4.09Å; F174-L233 HydrophobicContact CG-CD1 4.22Å; F174-D235 PolarHBondContact O-N 2.82Å; F174-Y236 HydrophobicContact CD1-CD2 4.35Å; F174-Y236 AromaticContact CE1-CD2 3.98Å; F174-Y236 HydrophobicContact CE1-CD2 3.98Å; F174-Y236 HydrophobicContact CZ-CD2 4.1Å; F174-Y236 HydrophobicContact CZ-CE2 4.44Å; F174-Y239 HydrophobicContact CE1-CD2 4.1Å; F174-Y239 AromaticContact CE1-CE2 3.6Å; F174-Y239 HydrophobicContact CE1-CE2 3.6Å; F174-Y239 AromaticContact CZ-CD2 3.96Å; F174-Y239 HydrophobicContact CZ-CD2 3.96Å; F174-Y239 AromaticContact CZ-CE2 3.86Å; F174-Y239 HydrophobicContact CZ-CE2 3.86Å
175G93.1Very high93.7Very high1 Ų125.1 Ų25.11%0.0113%0.125CC..THydrogen-bonded Turntrans83.815.3171.200000115.6D171 V172 L173 K177 P234 D235D171-G175 PolarHBondContact O-N 3.1Å; V172-G175 PolarHBondContact O-N 3.49Å; L173-G175 VanDerWaalsContact C-N 3.27Å; G175-K177 WeakPolarHBondContact O-CD 3.36Å; G175-K177 WeakPolarHBondContact O-CE 3.32Å; G175-K177 PolarHBondContact O-N 3.26Å; G175-P234 WeakPolarHBondContact O-CG 3.37Å; G175-D235 WeakPolarHBondContact CA-OD2 3.4Å
176A91.8Very high94Very high6 Ų623.5 Ų23.55%0.0512%0.116CC..  trans-51124.6175.800000111.3D171 L233D171-A176 HydrophobicContact CB-CB 4.13Å; D171-A176 WeakPolarHBondContact O-CB 3.34Å; D171-A176 PolarHBondContact O-N 3.24Å; A176-L233 HydrophobicContact CB-CD2 3.95Å
177K82.1Confident94.1Very high81 Ų8118.7 Ų18.735%0.35210%0.098SC..SBendtrans-91.5-16.6-179.9-55.2-57.7179.2-170.20113.2C157 Y158 G175C157-K177 HydrophobicContact CB-CB 4.23Å; Y158-K177 PolarHBondContact N-O 3.09Å; G175-K177 WeakPolarHBondContact O-CD 3.36Å; G175-K177 WeakPolarHBondContact O-CE 3.32Å; G175-K177 PolarHBondContact O-N 3.26Å
178L81.8Confident94.1Very high129 Ų12918.4 Ų18.468%0.67510%0.097SC*.  trans-116.1113.1177-64.8175.3000107.4
179Y81.3Confident94.2Very high15 Ų1516.5 Ų16.56%0.0599%0.09CC..  trans-132.7155.1176.342.3-106.8000109.5L123 R125 Y158 S159 V162 V172 I183L123-Y179 HydrophobicContact CD1-CD2 4.04Å; L123-Y179 HydrophobicContact CD1-CE2 4.29Å; R125-Y179 PolarHBondContact NH1-OH 3.44Å; R125-Y179 VanDerWaalsContact NH1-OH 3.09Å; Y158-Y179 VanDerWaalsContact CB-OH 3.23Å; Y158-Y179 WeakPolarHBondContact CB-OH 3.36Å; Y158-Y179 HydrophobicContact CD2-CD2 4.28Å; Y158-Y179 HydrophobicContact CD2-CE2 4.13Å; Y158-Y179 AromaticContact CG-CE2 3.92Å; Y158-Y179 HydrophobicContact CG-CE2 3.92Å; Y158-Y179 AromaticContact CG-CZ 3.97Å; S159-Y179 WeakPolarHBondContact O-CE1 3.44Å; S159-Y179 PolarHBondContact O-OH 3.04Å; V162-Y179 HydrophobicContact CG2-CE1 4.26Å; V162-Y179 WeakPolarHBondContact CG2-OH 3.42Å; V172-Y179 HydrophobicContact CG2-CD1 4.09Å; V172-Y179 HydrophobicContact CG2-CG 4.49Å; Y179-I183 HydrophobicContact CD2-CD1 4.26Å; Y179-I183 HydrophobicContact CE2-CD1 4.42Å; Y179-I183 HydrophobicContact CG-CD1 4.4Å
180S89.9Confident94.3Very high55 Ų5516.6 Ų16.639%0.3859%0.09SC..  trans-116.3-162.8-17576.30000110.4S182 I183S180-S182 PolarHBondContact O-N 3.45Å; S180-S182 VanDerWaalsContact O-N 3.12Å; S180-S182 WeakPolarHBondContact OG-CB 3.12Å; S180-S182 PolarHBondContact OG-N 3.49Å; S180-S182 PolarHBondContact OG-OG 3.17Å; S180-I183 VanDerWaalsContact O-CG2 3.27Å; S180-I183 WeakPolarHBondContact O-CG2 3.44Å; S180-I183 PolarHBondContact O-N 2.99Å
181T95.2Very high94.3Very high34 Ų3416.6 Ų16.621%0.2099%0.09CC..THydrogen-bonded Turntrans-54.5-23.6169.552.70000113H118 L123 F151 I183 D184 M185H118-T181 HydrophobicContact CB-CG2 3.66Å; H118-T181 WeakPolarHBondContact ND1-CB 3.33Å; L123-T181 HydrophobicContact CD2-CG2 3.91Å; F151-T181 HydrophobicContact CE1-CG2 3.88Å; F151-T181 HydrophobicContact CZ-CG2 3.64Å; T181-I183 PolarHBondContact O-N 3.31Å; T181-I183 VanDerWaalsContact O-N 3.08Å; T181-D184 PolarHBondContact O-N 3.44Å; T181-D184 VanDerWaalsContact O-N 3.08Å; T181-M185 PolarHBondContact O-N 3.35Å
182S96.9Very high94.4Very high6 Ų616.4 Ų16.44%0.0429%0.089CC..Hα-helixtrans-57-20.7177.3660000115.1S180 W186 P271 R274S180-S182 PolarHBondContact O-N 3.45Å; S180-S182 VanDerWaalsContact O-N 3.12Å; S180-S182 WeakPolarHBondContact OG-CB 3.12Å; S180-S182 PolarHBondContact OG-N 3.49Å; S180-S182 PolarHBondContact OG-OG 3.17Å; S182-W186 PolarHBondContact O-N 3.11Å; S182-P271 WeakPolarHBondContact CB-O 3.37Å; S182-P271 WeakPolarHBondContact OG-CB 3.29Å; S182-R274 WeakPolarHBondContact O-CD 3.32Å; S182-R274 PolarHBondContact O-NH1 3.1Å
183I96.1Very high94.5Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-66.3-44.9174.4-167.7174.5000111.3R125 V162 V163 P169 V172 Y179 S180 T181 M185 S187R125-I183 HydrophobicContact CG-CG2 4.45Å; V162-I183 HydrophobicContact CG2-CD1 3.98Å; V163-I183 HydrophobicContact CG2-CD1 3.6Å; V163-I183 HydrophobicContact CG2-CG1 3.92Å; P169-I183 HydrophobicContact CG-CG1 3.94Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.26Å; Y179-I183 HydrophobicContact CD2-CD1 4.26Å; Y179-I183 HydrophobicContact CE2-CD1 4.42Å; Y179-I183 HydrophobicContact CG-CD1 4.4Å; S180-I183 VanDerWaalsContact O-CG2 3.27Å; S180-I183 WeakPolarHBondContact O-CG2 3.44Å; S180-I183 PolarHBondContact O-N 2.99Å; T181-I183 PolarHBondContact O-N 3.31Å; T181-I183 VanDerWaalsContact O-N 3.08Å; I183-M185 VanDerWaalsContact C-N 3.33Å; I183-S187 PolarHBondContact O-N 3.31Å; I183-S187 PolarHBondContact O-OG 2.87Å
184D97.8Very high94.5Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-71.2-34-179.4-66.2-29.6000110.5L114 H118 H124 R125 L127 T181 W186 S187 A188L114-D184 HydrophobicContact CD1-CB 4.47Å; L114-D184 HydrophobicContact CD2-CB 4.15Å; H118-D184 IonicContact CD2-OD2 2.67Å; H118-D184 IonicContact CE1-OD2 3.73Å; H118-D184 IonicContact NE2-OD2 3.04Å; H118-D184 PolarHBondContact NE2-OD2 3.03Å; H124-D184 PolarHBondContact N-OD1 3.38Å; H124-D184 PolarHBondContact N-OD2 3.35Å; R125-D184 PolarHBondContact N-OD1 3.02Å; L127-D184 HydrophobicContact CD1-CB 3.79Å; L127-D184 WeakPolarHBondContact CD1-O 3.31Å; T181-D184 PolarHBondContact O-N 3.44Å; T181-D184 VanDerWaalsContact O-N 3.08Å; D184-W186 VanDerWaalsContact C-N 3.34Å; D184-W186 PolarHBondContact O-N 2.91Å; D184-S187 PolarHBondContact O-N 3.39Å; D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 3.4Å
185M98.7Very high94.5Very high1 Ų116 Ų161%0.0059%0.087CC..Hα-helixtrans-63.9-38.6179.1-57-45.2-58.100112.5L111 T181 I183 A188 G189 L266 I275 A277L111-M185 HydrophobicContact CD2-CE 3.73Å; T181-M185 PolarHBondContact O-N 3.35Å; I183-M185 VanDerWaalsContact C-N 3.33Å; M185-A188 PolarHBondContact O-N 3.44Å; M185-G189 PolarHBondContact O-N 2.92Å; M185-L266 HydrophobicContact CB-CD2 4.41Å; M185-L266 HydrophobicContact CE-CD2 3.52Å; M185-I275 WeakPolarHBondContact CG-O 3.42Å; M185-A277 HydrophobicContact CE-CB 3.92Å; M185-A277 HydrophobicContact SD-CB 3.79Å
186W98.6Very high94.5Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-63.1-49.4173.5176.3-86.2000111.6R168 P169 P170 S182 D184 A188 G189 C190 F203 I215 L219 L267R168-W186 PolarHBondContact O-NE1 3.5Å; P169-W186 HydrophobicContact CB-CB 3.69Å; P169-W186 HydrophobicContact CB-CD2 3.86Å; P169-W186 HydrophobicContact CB-CE3 4.43Å; P169-W186 HydrophobicContact CB-CG 3.48Å; P169-W186 VanDerWaalsContact CB-CG 3.48Å; P169-W186 HydrophobicContact CG-CB 4.49Å; P170-W186 HydrophobicContact CG-CH2 3.82Å; P170-W186 HydrophobicContact CG-CZ2 4.22Å; P170-W186 HydrophobicContact CG-CZ3 4.03Å; S182-W186 PolarHBondContact O-N 3.11Å; D184-W186 VanDerWaalsContact C-N 3.34Å; D184-W186 PolarHBondContact O-N 2.91Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 3.5Å; W186-G189 WeakPolarHBondContact O-CA 3.34Å; W186-G189 PolarHBondContact O-N 3.03Å; W186-C190 PolarHBondContact NE1-SG 3.35Å; W186-C190 VanDerWaalsContact NE1-SG 3.43Å; W186-C190 PolarHBondContact O-N 2.92Å; W186-F203 HydrophobicContact CH2-CE2 4.35Å; W186-F203 HydrophobicContact CZ2-CD2 4.22Å; W186-F203 AromaticContact CZ2-CE2 3.75Å; W186-F203 HydrophobicContact CZ2-CE2 3.75Å; W186-I215 HydrophobicContact CH2-CD1 4.32Å; W186-I215 HydrophobicContact CH2-CG1 4.37Å; W186-I215 HydrophobicContact CH2-CG2 3.61Å; W186-I215 HydrophobicContact CZ2-CD1 3.66Å; W186-I215 HydrophobicContact CZ2-CG1 3.88Å; W186-I215 HydrophobicContact CZ2-CG2 4.01Å; W186-L219 HydrophobicContact CH2-CD1 3.66Å; W186-L219 HydrophobicContact CZ3-CD1 4.15Å; W186-L267 HydrophobicContact CD2-CD2 4.07Å; W186-L267 HydrophobicContact CE3-CD2 4.1Å; W186-L267 HydrophobicContact CH2-CD2 4.34Å; W186-L267 HydrophobicContact CZ2-CD2 4.32Å; W186-L267 HydrophobicContact CZ3-CB 4.24Å; W186-L267 HydrophobicContact CZ3-CD2 4.25Å; W186-L267 VanDerWaalsContact CZ3-O 3.3Å; W186-L267 WeakPolarHBondContact CZ3-O 3.14Å
187S98.5Very high94.4Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-60-38.6178.6-52.60000111.5Y167 I183 D184 G189 C190 I191Y167-S187 PolarHBondContact O-OG 3.22Å; I183-S187 PolarHBondContact O-N 3.31Å; I183-S187 PolarHBondContact O-OG 2.87Å; D184-S187 PolarHBondContact O-N 3.39Å; S187-G189 VanDerWaalsContact C-N 3.35Å; S187-C190 WeakPolarHBondContact O-CB 3.23Å; S187-C190 PolarHBondContact O-N 2.84Å; S187-I191 WeakPolarHBondContact O-CD1 3.32Å; S187-I191 WeakPolarHBondContact O-CG1 3.4Å; S187-I191 PolarHBondContact O-N 3.43Å
188A98.8Very high94.4Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-62.6-39.3173.200000112.3M107 L110 L114 D184 M185 W186 I191 F192M107-A188 HydrophobicContact CE-CB 4.16Å; L110-A188 HydrophobicContact CD2-CB 4.09Å; L110-A188 HydrophobicContact CG-CB 4.48Å; L114-A188 HydrophobicContact CD1-CB 3.99Å; D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 3.4Å; M185-A188 PolarHBondContact O-N 3.44Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 3.5Å; A188-I191 PolarHBondContact O-N 2.94Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 2.99Å
189G98.6Very high94.6Very high0 Ų010.5 Ų10.50%07%0.069CC..Hα-helixtrans-61.7-42.8171.500000113M185 W186 S187 F192 A193 L263M185-G189 PolarHBondContact O-N 2.92Å; W186-G189 WeakPolarHBondContact O-CA 3.34Å; W186-G189 PolarHBondContact O-N 3.03Å; S187-G189 VanDerWaalsContact C-N 3.35Å; G189-F192 PolarHBondContact O-N 2.96Å; G189-A193 PolarHBondContact O-N 3.36Å; G189-A193 VanDerWaalsContact O-N 3.09Å; G189-L263 WeakPolarHBondContact O-CD1 3.5Å
190C98.5Very high95.1Very high1 Ų118.6 Ų18.61%0.00710%0.099CC..Hα-helixtrans-59.9-47.7173.9-67.10000111.3Y167 W186 S187 F192 A193 E194Y167-C190 HydrophobicContact CD1-CB 3.73Å; Y167-C190 HydrophobicContact CE1-CB 4.24Å; W186-C190 PolarHBondContact NE1-SG 3.35Å; W186-C190 VanDerWaalsContact NE1-SG 3.43Å; W186-C190 PolarHBondContact O-N 2.92Å; S187-C190 WeakPolarHBondContact O-CB 3.23Å; S187-C190 PolarHBondContact O-N 2.84Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.25Å; C190-A193 WeakPolarHBondContact O-CB 3.38Å; C190-A193 PolarHBondContact O-N 3.09Å; C190-E194 WeakPolarHBondContact O-CG 3.11Å; C190-E194 PolarHBondContact O-N 3.29Å; C190-E194 VanDerWaalsContact O-N 3.16Å
191I98.4Very high95.3Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-61.6-39.9177-68.8155.5000111.3L87 L110 L127 L132 Y167 S187 A188 A193 E194 L195L87-I191 HydrophobicContact CD2-CG2 3.95Å; L110-I191 HydrophobicContact CD2-CB 4.44Å; L110-I191 HydrophobicContact CD2-CD1 4.46Å; L110-I191 HydrophobicContact CD2-CG2 4.09Å; L127-I191 HydrophobicContact CB-CD1 4.07Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.9Å; Y167-I191 HydrophobicContact CD1-CG1 4.17Å; Y167-I191 HydrophobicContact CE1-CG1 3.97Å; S187-I191 WeakPolarHBondContact O-CD1 3.32Å; S187-I191 WeakPolarHBondContact O-CG1 3.4Å; S187-I191 PolarHBondContact O-N 3.43Å; A188-I191 PolarHBondContact O-N 2.94Å; I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 3.27Å; I191-E194 WeakPolarHBondContact O-CB 3.31Å; I191-E194 PolarHBondContact O-N 3.43Å; I191-E194 VanDerWaalsContact O-N 3.09Å; I191-L195 HydrophobicContact CG2-CD1 4.17Å; I191-L195 HydrophobicContact CG2-CG 4.35Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 2.95Å
192F98.4Very high95.4Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-61.1-39.1178-171.4-152.7000112V103 M107 A188 G189 C190 L195 A196 L255 G259 L262 L263 L266 Y285V103-F192 HydrophobicContact CG1-CD2 4.21Å; V103-F192 HydrophobicContact CG1-CE2 3.83Å; M107-F192 HydrophobicContact CB-CD2 4.02Å; M107-F192 HydrophobicContact CB-CE2 4.11Å; M107-F192 HydrophobicContact CE-CB 4.13Å; M107-F192 HydrophobicContact CE-CG 4.33Å; M107-F192 HydrophobicContact CG-CD1 4.45Å; M107-F192 HydrophobicContact CG-CD2 3.74Å; M107-F192 HydrophobicContact CG-CE2 3.98Å; M107-F192 HydrophobicContact CG-CG 4Å; M107-F192 HydrophobicContact CG-CZ 4.45Å; M107-F192 HydrophobicContact SD-CB 3.64Å; M107-F192 HydrophobicContact SD-CD1 4.49Å; M107-F192 HydrophobicContact SD-CD2 3.94Å; M107-F192 HydrophobicContact SD-CG 3.79Å; A188-F192 WeakPolarHBondContact O-CB 3.26Å; A188-F192 PolarHBondContact O-N 2.99Å; G189-F192 PolarHBondContact O-N 2.96Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.25Å; F192-L195 PolarHBondContact O-N 2.91Å; F192-A196 WeakPolarHBondContact O-CB 3.25Å; F192-A196 PolarHBondContact O-N 3.26Å; F192-L255 HydrophobicContact CD1-CD1 4.38Å; F192-L255 HydrophobicContact CE1-CD1 3.87Å; F192-L255 HydrophobicContact CE1-CD2 4.38Å; F192-L255 HydrophobicContact CE2-CD1 4.29Å; F192-L255 HydrophobicContact CE2-CD2 3.59Å; F192-L255 HydrophobicContact CZ-CD1 3.82Å; F192-L255 HydrophobicContact CZ-CD2 3.5Å; F192-L255 VanDerWaalsContact CZ-CD2 3.5Å; F192-L255 HydrophobicContact CZ-CG 4.34Å; F192-G259 WeakPolarHBondContact CE1-O 3.43Å; F192-L262 HydrophobicContact CE1-CB 4.3Å; F192-L262 HydrophobicContact CE1-CD2 4.05Å; F192-L262 HydrophobicContact CE1-CG 4.17Å; F192-L262 HydrophobicContact CZ-CD2 4.46Å; F192-L263 HydrophobicContact CB-CD1 4.19Å; F192-L263 HydrophobicContact CD1-CB 3.98Å; F192-L263 HydrophobicContact CD1-CD1 3.91Å; F192-L263 HydrophobicContact CE1-CB 4.13Å; F192-L263 HydrophobicContact CG-CD1 4.42Å; F192-L266 HydrophobicContact CD1-CD1 4.13Å; F192-Y285 AromaticContact CE2-CE1 3.92Å; F192-Y285 HydrophobicContact CE2-CE1 3.92Å; F192-Y285 HydrophobicContact CZ-CD1 4.15Å; F192-Y285 AromaticContact CZ-CE1 3.54Å; F192-Y285 HydrophobicContact CZ-CE1 3.54Å; F192-Y285 HydrophobicContact CZ-CE2 4.42Å; F192-Y285 AromaticContact CZ-CZ 3.71Å
193A97.5Very high95.4Very high2 Ų217.5 Ų17.52%0.0179%0.089CC..Hα-helixtrans-65.8-38173.200000112.6G189 C190 I191 A196 N197 L202 V252 L263G189-A193 PolarHBondContact O-N 3.36Å; G189-A193 VanDerWaalsContact O-N 3.09Å; C190-A193 WeakPolarHBondContact O-CB 3.38Å; C190-A193 PolarHBondContact O-N 3.09Å; I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 3.27Å; A193-A196 CarbonylContact O-C 3.56Å; A193-A196 PolarHBondContact O-N 2.55Å; A193-N197 VanDerWaalsContact O-CB 3.24Å; A193-N197 WeakPolarHBondContact O-CB 3.49Å; A193-N197 PolarHBondContact O-N 3.39Å; A193-L202 HydrophobicContact CB-CB 4.09Å; A193-L202 HydrophobicContact CB-CD1 4.13Å; A193-L202 HydrophobicContact CB-CD2 3.68Å; A193-L202 HydrophobicContact CB-CG 4.18Å; A193-V252 HydrophobicContact CB-CG1 3.87Å; A193-L263 HydrophobicContact CB-CD1 4.28Å; A193-L263 HydrophobicContact CB-CD2 4.32Å
194E96.1Very high95.5Very high3 Ų319.6 Ų19.61%0.01410%0.103CC..Hα-helixtrans-65-44.5175.3-57.6-165.7-15400112F91 P129 Y167 C190 I191 A196 N197 G199 R200 P201F91-E194 HydrophobicContact CE2-CB 4.14Å; F91-E194 HydrophobicContact CZ-CB 3.98Å; P129-E194 WeakPolarHBondContact CG-OE2 3.44Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.44Å; Y167-E194 PolarHBondContact OH-OE1 3.14Å; C190-E194 WeakPolarHBondContact O-CG 3.11Å; C190-E194 PolarHBondContact O-N 3.29Å; C190-E194 VanDerWaalsContact O-N 3.16Å; I191-E194 WeakPolarHBondContact O-CB 3.31Å; I191-E194 PolarHBondContact O-N 3.43Å; I191-E194 VanDerWaalsContact O-N 3.09Å; E194-A196 PolarHBondContact O-N 3.47Å; E194-N197 CarbonylContact O-C 3.42Å; E194-N197 PolarHBondContact O-N 2.95Å; E194-N197 VanDerWaalsContact O-N 3.12Å; E194-G199 WeakPolarHBondContact O-CA 3.45Å; E194-G199 PolarHBondContact O-N 3.34Å; E194-R200 WeakPolarHBondContact CG-O 3.37Å; E194-P201 WeakPolarHBondContact OE1-CA 3.49Å
195L95.8Very high95.4Very high1 Ų119.7 Ų19.71%0.00510%0.104CC..Hα-helixtrans-54.6-41.6173.8-72.2170.5000110.8L87 F91 L98 V103 F106 I191 F192L87-L195 HydrophobicContact CD1-CD2 3.79Å; L87-L195 HydrophobicContact CD2-CD2 4.08Å; F91-L195 HydrophobicContact CE1-CD2 3.92Å; F91-L195 HydrophobicContact CZ-CD2 3.87Å; F91-L195 HydrophobicContact CZ-CG 4.25Å; L98-L195 HydrophobicContact CD2-CD2 3.66Å; V103-L195 HydrophobicContact CG1-CB 3.95Å; V103-L195 HydrophobicContact CG2-CB 4.19Å; V103-L195 VanDerWaalsContact CG2-O 3.27Å; V103-L195 WeakPolarHBondContact CG2-O 3.27Å; F106-L195 HydrophobicContact CB-CD1 4.14Å; F106-L195 HydrophobicContact CB-CD2 4.3Å; F106-L195 HydrophobicContact CD2-CD2 3.9Å; I191-L195 HydrophobicContact CG2-CD1 4.17Å; I191-L195 HydrophobicContact CG2-CG 4.35Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 2.95Å; F192-L195 PolarHBondContact O-N 2.91Å
196A94.3Very high95.3Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-84.6-5.7-17900000115.4F192 A193 E194 V252 K254 L255F192-A196 WeakPolarHBondContact O-CB 3.25Å; F192-A196 PolarHBondContact O-N 3.26Å; A193-A196 CarbonylContact O-C 3.56Å; A193-A196 PolarHBondContact O-N 2.55Å; E194-A196 PolarHBondContact O-N 3.47Å; A196-V252 HydrophobicContact CB-CB 3.88Å; A196-V252 HydrophobicContact CB-CG1 3.88Å; A196-K254 HydrophobicContact CB-CB 4.36Å; A196-K254 WeakPolarHBondContact O-CG 3.24Å; A196-L255 HydrophobicContact CB-CD1 4.05Å; A196-L255 HydrophobicContact CB-CD2 3.88Å; A196-L255 HydrophobicContact CB-CG 3.62Å
197N89.3Confident95.2Very high53 Ų5330.1 Ų30.128%0.28316%0.16SC..THydrogen-bonded Turntrans-14665.7-172.8-168.228000113.4A193 E194 G199 R200 V251A193-N197 VanDerWaalsContact O-CB 3.24Å; A193-N197 WeakPolarHBondContact O-CB 3.49Å; A193-N197 PolarHBondContact O-N 3.39Å; E194-N197 CarbonylContact O-C 3.42Å; E194-N197 PolarHBondContact O-N 2.95Å; E194-N197 VanDerWaalsContact O-N 3.12Å; N197-G199 PolarHBondContact O-N 3.29Å; N197-G199 VanDerWaalsContact O-N 3.12Å; N197-R200 PolarHBondContact O-N 3.47Å; N197-V251 WeakPolarHBondContact CB-O 3.41Å; N197-V251 PolarHBondContact ND2-O 2.73Å
198A82.8Confident95.1Very high44 Ų4433 Ų3336%0.36418%0.177SC..THydrogen-bonded Turntrans61.820.7168.700000115.9G96 R200G96-A198 VanDerWaalsContact O-CA 3.26Å; G96-A198 WeakPolarHBondContact O-CA 3.49Å; A198-R200 PolarHBondContact O-N 3.17Å
199G85.9Confident95Very high5 Ų535 Ų355%0.05219%0.187CC..THydrogen-bonded Turntrans66.124178.500000114.2E194 N197E194-G199 WeakPolarHBondContact O-CA 3.45Å; E194-G199 PolarHBondContact O-N 3.34Å; N197-G199 PolarHBondContact O-N 3.29Å; N197-G199 VanDerWaalsContact O-N 3.12Å
200R91Very high95Very high185 Ų18536.1 Ų36.170%0.69819%0.194SC*.  trans-99.4131.7178.4-66.2-174.9-177.2-176.41.7110.5E194 N197 A198 L202E194-R200 WeakPolarHBondContact CG-O 3.37Å; N197-R200 PolarHBondContact O-N 3.47Å; A198-R200 PolarHBondContact O-N 3.17Å; R200-L202 PolarHBondContact O-N 2.91Å
201P95.4Very high95Very high39 Ų3936.1 Ų36.125%0.25319%0.193SC..  trans-53.2131.6177.7-26.633.9000112.6W166 E194 F203 P204W166-P201 HydrophobicContact CD2-CB 4.49Å; W166-P201 HydrophobicContact CE3-CB 3.94Å; W166-P201 HydrophobicContact CE3-CG 3.68Å; W166-P201 HydrophobicContact CZ3-CB 4.46Å; W166-P201 HydrophobicContact CZ3-CG 3.77Å; E194-P201 WeakPolarHBondContact OE1-CA 3.49Å; P201-F203 VanDerWaalsContact C-N 3.34Å; P201-F203 PolarHBondContact O-N 3.23Å; P201-P204 HydrophobicContact CB-CB 4.35Å; P201-P204 WeakPolarHBondContact O-CD 3.45Å
202L96.4Very high95Very high30 Ų3036.1 Ų36.116%0.15719%0.194CC..SBendtrans-65.4-38.8-179.5-17661.6000112A193 R200 L218 V251 L267A193-L202 HydrophobicContact CB-CB 4.09Å; A193-L202 HydrophobicContact CB-CD1 4.13Å; A193-L202 HydrophobicContact CB-CD2 3.68Å; A193-L202 HydrophobicContact CB-CG 4.18Å; R200-L202 PolarHBondContact O-N 2.91Å; L202-L218 HydrophobicContact CD1-CD2 3.67Å; L202-L218 HydrophobicContact CD2-CD2 4.09Å; L202-L218 HydrophobicContact CG-CD2 4.01Å; L202-V251 HydrophobicContact CD1-CG1 3.45Å; L202-V251 VanDerWaalsContact CD1-CG1 3.45Å; L202-L267 HydrophobicContact CD2-CD1 3.68Å
203F97.4Very high94.9Very high3 Ų339 Ų391%0.01321%0.206CC..  trans-129.378.9-177-53.4-59.2000110.9W166 W186 P201 G205 Q211 R214 I215 L218 L219W166-F203 WeakPolarHBondContact CA-O 3.23Å; W166-F203 WeakPolarHBondContact CB-O 3.32Å; W186-F203 HydrophobicContact CH2-CE2 4.35Å; W186-F203 HydrophobicContact CZ2-CD2 4.22Å; W186-F203 AromaticContact CZ2-CE2 3.75Å; W186-F203 HydrophobicContact CZ2-CE2 3.75Å; P201-F203 VanDerWaalsContact C-N 3.34Å; P201-F203 PolarHBondContact O-N 3.23Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.09Å; F203-G205 VanDerWaalsContact O-N 3.08Å; F203-Q211 PolarHBondContact O-NE2 2.69Å; F203-Q211 VanDerWaalsContact O-NE2 3.14Å; F203-Q211 PolarHBondContact O-OE1 2.83Å; F203-R214 HydrophobicContact CD1-CB 4.19Å; F203-I215 HydrophobicContact CB-CG1 4.44Å; F203-I215 HydrophobicContact CD1-CG1 3.99Å; F203-I215 HydrophobicContact CD2-CG1 3.91Å; F203-I215 HydrophobicContact CE1-CB 4.46Å; F203-I215 HydrophobicContact CE1-CG1 4.15Å; F203-I215 HydrophobicContact CE2-CG1 4.07Å; F203-I215 HydrophobicContact CG-CG1 3.86Å; F203-I215 HydrophobicContact CZ-CG1 4.18Å; F203-L218 HydrophobicContact CE1-CB 3.97Å; F203-L218 HydrophobicContact CE1-CD2 3.56Å; F203-L218 HydrophobicContact CE1-CG 4.37Å; F203-L218 HydrophobicContact CZ-CD2 3.81Å; F203-L219 HydrophobicContact CZ-CD1 4.17Å; F203-L219 HydrophobicContact CZ-CG 4.32Å
204P96.8Very high94.9Very high45 Ų4542.8 Ų42.829%0.29222%0.22SC..  trans-85.570.3178.334-33.1000110.5P201 R214P201-P204 HydrophobicContact CB-CB 4.35Å; P201-P204 WeakPolarHBondContact O-CD 3.45Å; P204-R214 VanDerWaalsContact O-CZ 3.3Å; P204-R214 PolarHBondContact O-NE 3.29Å
205G97.3Very high95Very high2 Ų242.6 Ų42.62%0.02122%0.219CC..  trans-74.2146175.500000112.7L165 W166 F203 D210L165-G205 WeakPolarHBondContact CD2-O 3.35Å; W166-G205 PolarHBondContact NE1-O 3.19Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.09Å; F203-G205 VanDerWaalsContact O-N 3.08Å; G205-D210 WeakPolarHBondContact CA-OD2 3.05Å
206N95.4Very high95.1Very high137 Ų13742.7 Ų42.773%0.73322%0.219SC*.SBendtrans-83.6-29.2176.2-64.3-41.8000112.9D210N206-D210 PolarHBondContact N-OD2 3.45Å
207D96.3Very high95.2Very high83 Ų8348.4 Ų48.444%0.44424%0.241SC..SBendtrans-148.4178.3177.659.851.2000109.8D209 D210 Q211D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 3.11Å; D207-D209 WeakPolarHBondContact OD1-CA 3.5Å; D207-D209 WeakPolarHBondContact OD1-CB 3.4Å; D207-D209 PolarHBondContact OD1-N 3.03Å; D207-D210 PolarHBondContact O-N 2.92Å; D207-D210 PolarHBondContact OD1-N 3.33Å; D207-Q211 VanDerWaalsContact O-CB 3.26Å; D207-Q211 WeakPolarHBondContact O-CB 3.4Å; D207-Q211 PolarHBondContact O-N 2.88Å
208V96.4Very high95.4Very high60 Ų6047 Ų4736%0.36423%0.233SC..Hα-helixtrans-59.9-36.4-178.5173.70000112.2L165 L173 L212L165-V208 HydrophobicContact CD1-CG2 4.24Å; L173-V208 HydrophobicContact CB-CG1 4.22Å; L173-V208 HydrophobicContact CD2-CB 4.38Å; L173-V208 HydrophobicContact CD2-CG1 3.95Å; L173-V208 HydrophobicContact CD2-CG2 4.24Å; L173-V208 WeakPolarHBondContact O-CG1 3.16Å; V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 PolarHBondContact O-N 2.9Å; V208-L212 VanDerWaalsContact O-N 3.11Å
209D97.3Very high96.1Very high41 Ų4146.8 Ų46.822%0.21923%0.226CC..Hα-helixtrans-72.3-46-177.8-178.974.4000111.9D207 Q211 L212 K213 K237 Y239D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 3.11Å; D207-D209 WeakPolarHBondContact OD1-CA 3.5Å; D207-D209 WeakPolarHBondContact OD1-CB 3.4Å; D207-D209 PolarHBondContact OD1-N 3.03Å; D209-Q211 VanDerWaalsContact C-N 3.33Å; D209-L212 PolarHBondContact O-N 3.21Å; D209-K213 WeakPolarHBondContact O-CG 3.06Å; D209-K213 PolarHBondContact O-N 3.47Å; D209-K213 WeakPolarHBondContact OD2-CE 3.01Å; D209-K213 IonicContact OD2-NZ 2.78Å; D209-K213 PolarHBondContact OD2-NZ 3.29Å; D209-K237 WeakPolarHBondContact OD1-CE 3.42Å; D209-K237 IonicContact OD1-NZ 3.97Å; D209-K237 PolarHBondContact OD1-NZ 3.3Å; D209-Y239 PolarHBondContact OD1-OH 3.27Å; D209-Y239 VanDerWaalsContact OD1-OH 3.09Å
210D97.9Very high96.6Very high25 Ų2546.8 Ų46.813%0.13423%0.226CC..Hα-helixtrans-63.7-39.3174.4-172.941000111.3G205 N206 D207 K213 R214G205-D210 WeakPolarHBondContact CA-OD2 3.05Å; N206-D210 PolarHBondContact N-OD2 3.45Å; D207-D210 PolarHBondContact O-N 2.92Å; D207-D210 PolarHBondContact OD1-N 3.33Å; D210-K213 PolarHBondContact O-N 2.93Å; D210-R214 VanDerWaalsContact O-CG 3.29Å; D210-R214 WeakPolarHBondContact O-CG 3.45Å; D210-R214 PolarHBondContact O-N 3.28Å; D210-R214 IonicContact OD1-NE 3.81Å; D210-R214 PolarHBondContact OD1-NE 2.99Å; D210-R214 IonicContact OD1-NH2 2.68Å; D210-R214 IonicContact OD2-CZ 3.58Å; D210-R214 IonicContact OD2-NE 2.75Å; D210-R214 PolarHBondContact OD2-NE 3.12Å; D210-R214 IonicContact OD2-NH2 3.73Å; D210-R214 PolarHBondContact OD2-NH2 2.99Å; D210-R214 VanDerWaalsContact OD2-NH2 3.12Å
211Q98.2Very high96.9Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-58.4-50.9176.2-172.666.917.400111.5L165 W166 L173 F203 D207 D209 K213 R214 I215L165-Q211 HydrophobicContact CD1-CB 4.04Å; L165-Q211 HydrophobicContact CD1-CG 4.09Å; L165-Q211 HydrophobicContact CG-CB 4.35Å; L165-Q211 HydrophobicContact CG-CG 4.34Å; L165-Q211 PolarHBondContact O-NE2 3.24Å; W166-Q211 PolarHBondContact O-NE2 2.78Å; L173-Q211 HydrophobicContact CD1-CB 4.31Å; L173-Q211 HydrophobicContact CD1-CG 3.6Å; L173-Q211 HydrophobicContact CD2-CB 4.28Å; L173-Q211 HydrophobicContact CD2-CG 4.01Å; L173-Q211 HydrophobicContact CG-CG 4.49Å; F203-Q211 PolarHBondContact O-NE2 2.69Å; F203-Q211 VanDerWaalsContact O-NE2 3.14Å; F203-Q211 PolarHBondContact O-OE1 2.83Å; D207-Q211 VanDerWaalsContact O-CB 3.26Å; D207-Q211 WeakPolarHBondContact O-CB 3.4Å; D207-Q211 PolarHBondContact O-N 2.88Å; D209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-K213 PolarHBondContact O-N 3.08Å; Q211-R214 PolarHBondContact O-N 2.96Å; Q211-I215 HydrophobicContact CG-CD1 4.21Å; Q211-I215 VanDerWaalsContact O-CG1 3.32Å; Q211-I215 WeakPolarHBondContact O-CG1 3.18Å; Q211-I215 PolarHBondContact O-N 3.21Å
212L98.3Very high96.9Very high1 Ų137.1 Ų37.11%0.00519%0.187CC..Hα-helixtrans-62.2-42.4177.2-78.4166.7000112P170 L173 F174 V208 D209 R214 I215 F216 Y239P170-L212 HydrophobicContact CB-CD2 4.13Å; L173-L212 HydrophobicContact CB-CD1 4.02Å; L173-L212 HydrophobicContact CB-CD2 3.86Å; L173-L212 HydrophobicContact CB-CG 3.88Å; L173-L212 HydrophobicContact CD1-CD2 3.93Å; L173-L212 HydrophobicContact CD1-CG 4.02Å; L173-L212 HydrophobicContact CG-CG 4.5Å; F174-L212 HydrophobicContact CD1-CD1 3.92Å; F174-L212 HydrophobicContact CD2-CD2 4.35Å; F174-L212 HydrophobicContact CE1-CD1 3.64Å; F174-L212 HydrophobicContact CE1-CD2 4.49Å; F174-L212 HydrophobicContact CE2-CD2 3.97Å; F174-L212 HydrophobicContact CG-CD1 4.49Å; F174-L212 HydrophobicContact CZ-CD1 3.96Å; F174-L212 HydrophobicContact CZ-CD2 4.03Å; V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 PolarHBondContact O-N 2.9Å; V208-L212 VanDerWaalsContact O-N 3.11Å; D209-L212 PolarHBondContact O-N 3.21Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 2.87Å; L212-I215 PolarHBondContact O-N 3.3Å; L212-F216 HydrophobicContact CB-CE2 4.07Å; L212-F216 HydrophobicContact CD2-CE1 4.48Å; L212-F216 HydrophobicContact CD2-CE2 4.02Å; L212-F216 HydrophobicContact CD2-CZ 3.71Å; L212-F216 VanDerWaalsContact O-CD2 3.24Å; L212-F216 WeakPolarHBondContact O-CD2 3.43Å; L212-F216 VanDerWaalsContact O-CG 3.31Å; L212-F216 WeakPolarHBondContact O-CG 3.19Å; L212-F216 PolarHBondContact O-N 3.01Å; L212-Y239 HydrophobicContact CB-CD1 4.32Å; L212-Y239 HydrophobicContact CB-CE1 3.54Å; L212-Y239 HydrophobicContact CB-CE2 4.36Å; L212-Y239 HydrophobicContact CD1-CE1 4.45Å; L212-Y239 HydrophobicContact CD1-CE2 3.93Å; L212-Y239 WeakPolarHBondContact CD1-OH 3.37Å
213K97.6Very high96.9Very high61 Ų6138.3 Ų38.327%0.26520%0.195SC..Hα-helixtrans-58.3-43.6175.3-79.4166.8179.9169.30112.1D209 D210 Q211 R217 Y239D209-K213 WeakPolarHBondContact O-CG 3.06Å; D209-K213 PolarHBondContact O-N 3.47Å; D209-K213 WeakPolarHBondContact OD2-CE 3.01Å; D209-K213 IonicContact OD2-NZ 2.78Å; D209-K213 PolarHBondContact OD2-NZ 3.29Å; D210-K213 PolarHBondContact O-N 2.93Å; Q211-K213 PolarHBondContact O-N 3.08Å; K213-R217 WeakPolarHBondContact O-CB 3.26Å; K213-R217 WeakPolarHBondContact O-CG 3.18Å; K213-R217 PolarHBondContact O-N 3.48Å; K213-Y239 HydrophobicContact CG-CD1 3.99Å; K213-Y239 HydrophobicContact CG-CE1 3.91Å
214R97.3Very high96.7Very high80 Ų8044.8 Ų44.830%0.30223%0.226SC..Hα-helixtrans-64.4-44178.2-72.4169.3-176.3-86.51.7112F203 P204 D210 Q211 L212 L218F203-R214 HydrophobicContact CD1-CB 4.19Å; P204-R214 VanDerWaalsContact O-CZ 3.3Å; P204-R214 PolarHBondContact O-NE 3.29Å; D210-R214 VanDerWaalsContact O-CG 3.29Å; D210-R214 WeakPolarHBondContact O-CG 3.45Å; D210-R214 PolarHBondContact O-N 3.28Å; D210-R214 IonicContact OD1-NE 3.81Å; D210-R214 PolarHBondContact OD1-NE 2.99Å; D210-R214 IonicContact OD1-NH2 2.68Å; D210-R214 IonicContact OD2-CZ 3.58Å; D210-R214 IonicContact OD2-NE 2.75Å; D210-R214 PolarHBondContact OD2-NE 3.12Å; D210-R214 IonicContact OD2-NH2 3.73Å; D210-R214 PolarHBondContact OD2-NH2 2.99Å; D210-R214 VanDerWaalsContact OD2-NH2 3.12Å; Q211-R214 PolarHBondContact O-N 2.96Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 2.87Å; R214-L218 PolarHBondContact O-N 3.05Å
215I97.8Very high96.6Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-57.8-53.2176.5-68.5167.8000110.1P170 L173 W186 F203 Q211 L212 R217 L218 L219P170-I215 HydrophobicContact CG-CD1 4.19Å; P170-I215 HydrophobicContact CG-CG2 4.03Å; L173-I215 HydrophobicContact CD1-CD1 3.7Å; W186-I215 HydrophobicContact CH2-CD1 4.32Å; W186-I215 HydrophobicContact CH2-CG1 4.37Å; W186-I215 HydrophobicContact CH2-CG2 3.61Å; W186-I215 HydrophobicContact CZ2-CD1 3.66Å; W186-I215 HydrophobicContact CZ2-CG1 3.88Å; W186-I215 HydrophobicContact CZ2-CG2 4.01Å; F203-I215 HydrophobicContact CB-CG1 4.44Å; F203-I215 HydrophobicContact CD1-CG1 3.99Å; F203-I215 HydrophobicContact CD2-CG1 3.91Å; F203-I215 HydrophobicContact CE1-CB 4.46Å; F203-I215 HydrophobicContact CE1-CG1 4.15Å; F203-I215 HydrophobicContact CE2-CG1 4.07Å; F203-I215 HydrophobicContact CG-CG1 3.86Å; F203-I215 HydrophobicContact CZ-CG1 4.18Å; Q211-I215 HydrophobicContact CG-CD1 4.21Å; Q211-I215 VanDerWaalsContact O-CG1 3.32Å; Q211-I215 WeakPolarHBondContact O-CG1 3.18Å; Q211-I215 PolarHBondContact O-N 3.21Å; L212-I215 PolarHBondContact O-N 3.3Å; I215-R217 PolarHBondContact O-N 2.98Å; I215-L218 PolarHBondContact O-N 3.2Å; I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 WeakPolarHBondContact O-CB 3.39Å; I215-L219 PolarHBondContact O-N 3.15Å
216F97.6Very high96.4Very high2 Ų255.5 Ų55.51%0.00927%0.272CS..Hα-helixtrans-71.1-32.3-175.3-57.7-33.8000113.6F174 L212 L218 G220 T221 P222 Y239 Y242F174-F216 HydrophobicContact CE2-CE2 4.46Å; F174-F216 AromaticContact CE2-CZ 3.84Å; F174-F216 HydrophobicContact CE2-CZ 3.84Å; F174-F216 HydrophobicContact CZ-CE2 4.09Å; F174-F216 AromaticContact CZ-CZ 3.93Å; F174-F216 HydrophobicContact CZ-CZ 3.93Å; L212-F216 HydrophobicContact CB-CE2 4.07Å; L212-F216 HydrophobicContact CD2-CE1 4.48Å; L212-F216 HydrophobicContact CD2-CE2 4.02Å; L212-F216 HydrophobicContact CD2-CZ 3.71Å; L212-F216 VanDerWaalsContact O-CD2 3.24Å; L212-F216 WeakPolarHBondContact O-CD2 3.43Å; L212-F216 VanDerWaalsContact O-CG 3.31Å; L212-F216 WeakPolarHBondContact O-CG 3.19Å; L212-F216 PolarHBondContact O-N 3.01Å; F216-L218 PolarHBondContact O-N 3.44Å; F216-G220 CarbonylContact O-C 3.3Å; F216-G220 VanDerWaalsContact O-C 3.3Å; F216-G220 WeakPolarHBondContact O-CA 3.38Å; F216-G220 PolarHBondContact O-N 2.95Å; F216-T221 HydrophobicContact CD2-CG2 4.47Å; F216-P222 HydrophobicContact CE1-CG 4.15Å; F216-Y239 AromaticContact CD2-CD1 3.9Å; F216-Y239 HydrophobicContact CD2-CD1 3.9Å; F216-Y239 AromaticContact CD2-CG 3.85Å; F216-Y239 HydrophobicContact CD2-CG 3.85Å; F216-Y239 AromaticContact CE2-CD1 3.99Å; F216-Y239 HydrophobicContact CE2-CD1 3.99Å; F216-Y239 AromaticContact CE2-CD2 3.94Å; F216-Y239 HydrophobicContact CE2-CD2 3.94Å; F216-Y239 AromaticContact CE2-CG 3.68Å; F216-Y239 HydrophobicContact CE2-CG 3.68Å; F216-Y242 HydrophobicContact CB-CD2 3.55Å; F216-Y242 HydrophobicContact CB-CE2 4.11Å; F216-Y242 WeakPolarHBondContact O-CB 3.27Å
217R95.9Very high96.5Very high120 Ų12049.1 Ų49.145%0.45324%0.237SC..Hα-helixtrans-59.1-36.8172.3-79.1171.3-170.7161.41112.4K213 I215 Y242 T246K213-R217 WeakPolarHBondContact O-CB 3.26Å; K213-R217 WeakPolarHBondContact O-CG 3.18Å; K213-R217 PolarHBondContact O-N 3.48Å; I215-R217 PolarHBondContact O-N 2.98Å; R217-Y242 HydrophobicContact CB-CD1 4.48Å; R217-Y242 HydrophobicContact CG-CD1 3.7Å; R217-Y242 HydrophobicContact CG-CD2 4.21Å; R217-Y242 HydrophobicContact CG-CE1 3.45Å; R217-Y242 VanDerWaalsContact CG-CE1 3.45Å; R217-Y242 HydrophobicContact CG-CE2 3.97Å; R217-Y242 HydrophobicContact CG-CG 4.08Å; R217-T246 PolarHBondContact O-OG1 3.12Å
218L95.4Very high96.5Very high24 Ų2448.5 Ų48.513%0.12624%0.237CC..Hα-helixtrans-84.3-47.6-179.3-178.462000112.4L202 F203 R214 I215 F216 T246 L248 V251L202-L218 HydrophobicContact CD1-CD2 3.67Å; L202-L218 HydrophobicContact CD2-CD2 4.09Å; L202-L218 HydrophobicContact CG-CD2 4.01Å; F203-L218 HydrophobicContact CE1-CB 3.97Å; F203-L218 HydrophobicContact CE1-CD2 3.56Å; F203-L218 HydrophobicContact CE1-CG 4.37Å; F203-L218 HydrophobicContact CZ-CD2 3.81Å; R214-L218 PolarHBondContact O-N 3.05Å; I215-L218 PolarHBondContact O-N 3.2Å; F216-L218 PolarHBondContact O-N 3.44Å; L218-T246 HydrophobicContact CD1-CG2 3.85Å; L218-T246 WeakPolarHBondContact O-CB 3.46Å; L218-L248 HydrophobicContact CD1-CD2 3.92Å; L218-L248 HydrophobicContact CD2-CD2 4.24Å; L218-L248 HydrophobicContact CG-CD2 4.11Å; L218-V251 HydrophobicContact CD1-CG2 3.85Å; L218-V251 HydrophobicContact CD2-CG1 4.3Å
219L96.2Very high96.5Very high39 Ų3949.2 Ų49.220%0.20424%0.242CC..Hα-helixtrans-96.5-7-169.5-56.5-178.6000113.7W186 F203 I215 L267W186-L219 HydrophobicContact CH2-CD1 3.66Å; W186-L219 HydrophobicContact CZ3-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CD1 4.17Å; F203-L219 HydrophobicContact CZ-CG 4.32Å; I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 WeakPolarHBondContact O-CB 3.39Å; I215-L219 PolarHBondContact O-N 3.15Å; L219-L267 HydrophobicContact CD1-CB 4.01Å; L219-L267 WeakPolarHBondContact CD1-O 3.35Å
220G96.3Very high96.5Very high5 Ų547.9 Ų47.95%0.05224%0.235CC..  trans84.7156.5-166.700000112.2F216 Y242F216-G220 CarbonylContact O-C 3.3Å; F216-G220 VanDerWaalsContact O-C 3.3Å; F216-G220 WeakPolarHBondContact O-CA 3.38Å; F216-G220 PolarHBondContact O-N 2.95Å; G220-Y242 WeakPolarHBondContact CA-O 3.45Å
221T97.3Very high96.4Very high12 Ų1249.8 Ų49.87%0.07425%0.248CC..PPolyproline II helixtrans-84.5124.2174.9-50.70000109.5F216 T223 P240 M241 Y242F216-T221 HydrophobicContact CD2-CG2 4.47Å; T221-T223 PolarHBondContact O-N 3.33Å; T221-P240 PolarHBondContact OG1-O 3.48Å; T221-M241 HydrophobicContact CG2-CE 4.4Å; T221-M241 HydrophobicContact CG2-SD 3.69Å; T221-Y242 PolarHBondContact N-O 3.38Å; T221-Y242 WeakPolarHBondContact OG1-CD2 3.2Å; T221-Y242 PolarHBondContact OG1-N 2.58Å
222P96.6Very high96.2Very high9 Ų957.9 Ų57.96%0.05828%0.283CS..PPolyproline II helixtrans-59132.1-179.8-24.634.8000111.6F216 W227 M230 C269F216-P222 HydrophobicContact CE1-CG 4.15Å; P222-W227 HydrophobicContact CB-CB 4.13Å; P222-W227 HydrophobicContact CB-CE3 4.24Å; P222-W227 HydrophobicContact CG-CE3 4.14Å; P222-M230 HydrophobicContact CB-SD 4.16Å; P222-M230 HydrophobicContact CG-SD 4.37Å; P222-M230 WeakPolarHBondContact O-CE 3.42Å; P222-C269 HydrophobicContact CG-CB 3.43Å; P222-C269 VanDerWaalsContact CG-CB 3.43Å
223T95.3Very high96.1Very high55 Ų5559.2 Ų59.234%0.33729%0.29SS..PPolyproline II helixtrans-78.3164.8169.966.70000110.7T221 E225 Q226 W227 M241T221-T223 PolarHBondContact O-N 3.33Å; T223-E225 PolarHBondContact O-N 3.02Å; T223-Q226 PolarHBondContact O-N 3.34Å; T223-Q226 VanDerWaalsContact O-N 3.11Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.48Å; T223-Q226 PolarHBondContact OG1-N 3.41Å; T223-W227 PolarHBondContact O-N 2.81Å; T223-M241 HydrophobicContact CG2-CE 4.25Å
224E92.9Very high96Very high140 Ų14060.2 Ų60.265%0.65430%0.302SS*.THydrogen-bonded Turntrans-60.8-31.4174.6-171171.4-175.800112.2W227 P228E224-W227 CarbonylContact O-C 3.42Å; E224-P228 WeakPolarHBondContact O-CA 3.43Å; E224-P228 VanDerWaalsContact O-CD 3.31Å; E224-P228 WeakPolarHBondContact O-CD 3.41Å; E224-P228 VanDerWaalsContact O-CG 3.23Å; E224-P228 WeakPolarHBondContact O-CG 3.48Å
225E94.6Very high95.9Very high179 Ų17961 Ų6184%0.83631%0.313SS*.THydrogen-bonded Turntrans-65.6-41.6173.3-174.1-178.1-178.800112T223T223-E225 PolarHBondContact O-N 3.02Å
226Q94.8Very high95.9Very high93 Ų9364.7 Ų64.744%0.43533%0.327SS..THydrogen-bonded Turntrans-74.1-34.2-179.9-68.5169.2-24.400112.3T223 N270 Q273T223-Q226 PolarHBondContact O-N 3.34Å; T223-Q226 VanDerWaalsContact O-N 3.11Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.48Å; T223-Q226 PolarHBondContact OG1-N 3.41Å; Q226-N270 PolarHBondContact O-ND2 3.29Å; Q226-Q273 PolarHBondContact O-NE2 3.22Å
227W97.3Very high95.8Very high3 Ų369 Ų691%0.01135%0.346CS..  trans-143.179.2179.5-165.56.9000112.9P170 D171 F174 P222 T223 E224 T229 M230 L233 C269 N270P170-W227 HydrophobicContact CB-CH2 4.03Å; P170-W227 HydrophobicContact CB-CZ3 3.89Å; D171-W227 HydrophobicContact CB-CH2 3.84Å; D171-W227 HydrophobicContact CB-CZ2 3.67Å; F174-W227 HydrophobicContact CD2-CH2 4.05Å; F174-W227 HydrophobicContact CD2-CZ3 4.23Å; F174-W227 HydrophobicContact CE2-CZ3 4.25Å; P222-W227 HydrophobicContact CB-CB 4.13Å; P222-W227 HydrophobicContact CB-CE3 4.24Å; P222-W227 HydrophobicContact CG-CE3 4.14Å; T223-W227 PolarHBondContact O-N 2.81Å; E224-W227 CarbonylContact O-C 3.42Å; W227-T229 PolarHBondContact NE1-OG1 3.3Å; W227-T229 PolarHBondContact O-N 3.01Å; W227-T229 VanDerWaalsContact O-N 3.1Å; W227-M230 HydrophobicContact CB-CB 4.16Å; W227-M230 HydrophobicContact CD2-CB 3.6Å; W227-M230 HydrophobicContact CD2-CG 3.98Å; W227-M230 HydrophobicContact CD2-SD 4.4Å; W227-M230 HydrophobicContact CE3-CB 3.8Å; W227-M230 HydrophobicContact CE3-CG 3.64Å; W227-M230 HydrophobicContact CE3-SD 3.63Å; W227-M230 HydrophobicContact CG-CB 3.77Å; W227-M230 HydrophobicContact CH2-CG 4.38Å; W227-M230 HydrophobicContact CZ3-CB 4.39Å; W227-M230 HydrophobicContact CZ3-CG 3.85Å; W227-M230 HydrophobicContact CZ3-SD 3.99Å; W227-M230 VanDerWaalsContact O-CB 3.32Å; W227-M230 WeakPolarHBondContact O-CB 3.38Å; W227-M230 PolarHBondContact O-N 3.44Å; W227-M230 VanDerWaalsContact O-N 3.11Å; W227-L233 HydrophobicContact CH2-CD1 3.87Å; W227-L233 HydrophobicContact CZ2-CD1 3.56Å; W227-C269 HydrophobicContact CE3-CB 4.3Å; W227-C269 HydrophobicContact CZ3-CB 4.36Å; W227-N270 HydrophobicContact CB-CB 4.03Å; W227-N270 HydrophobicContact CD2-CB 4.21Å; W227-N270 HydrophobicContact CG-CB 3.81Å
228P96.3Very high95.7Very high69 Ų6968.5 Ų68.545%0.44836%0.358SS..THydrogen-bonded Turntrans-63.1-22.6-172.9-23.731.7000115.3E224E224-P228 WeakPolarHBondContact O-CA 3.43Å; E224-P228 VanDerWaalsContact O-CD 3.31Å; E224-P228 WeakPolarHBondContact O-CD 3.41Å; E224-P228 VanDerWaalsContact O-CG 3.23Å; E224-P228 WeakPolarHBondContact O-CG 3.48Å
229T95.6Very high95.8Very high76 Ų7668.6 Ų68.647%0.46636%0.357SS..THydrogen-bonded Turntrans-95.2-1.6-178.263.10000113.4W227 T231 K232W227-T229 PolarHBondContact NE1-OG1 3.3Å; W227-T229 PolarHBondContact O-N 3.01Å; W227-T229 VanDerWaalsContact O-N 3.1Å; T229-T231 PolarHBondContact O-N 2.89Å; T229-K232 PolarHBondContact O-N 3.22Å
230M96.5Very high95.8Very high13 Ų1369.9 Ų69.96%0.06437%0.368CS..G310 helixtrans-58.1-46.6-175.7-175.3178.661.300112.2F174 P222 W227 K232 L233 Y236F174-M230 HydrophobicContact CD2-CG 4.4Å; F174-M230 HydrophobicContact CE2-CG 4.04Å; F174-M230 HydrophobicContact CE2-SD 4.16Å; P222-M230 HydrophobicContact CB-SD 4.16Å; P222-M230 HydrophobicContact CG-SD 4.37Å; P222-M230 WeakPolarHBondContact O-CE 3.42Å; W227-M230 HydrophobicContact CB-CB 4.16Å; W227-M230 HydrophobicContact CD2-CB 3.6Å; W227-M230 HydrophobicContact CD2-CG 3.98Å; W227-M230 HydrophobicContact CD2-SD 4.4Å; W227-M230 HydrophobicContact CE3-CB 3.8Å; W227-M230 HydrophobicContact CE3-CG 3.64Å; W227-M230 HydrophobicContact CE3-SD 3.63Å; W227-M230 HydrophobicContact CG-CB 3.77Å; W227-M230 HydrophobicContact CH2-CG 4.38Å; W227-M230 HydrophobicContact CZ3-CB 4.39Å; W227-M230 HydrophobicContact CZ3-CG 3.85Å; W227-M230 HydrophobicContact CZ3-SD 3.99Å; W227-M230 VanDerWaalsContact O-CB 3.32Å; W227-M230 WeakPolarHBondContact O-CB 3.38Å; W227-M230 PolarHBondContact O-N 3.44Å; W227-M230 VanDerWaalsContact O-N 3.11Å; M230-K232 PolarHBondContact O-N 3.31Å; M230-K232 VanDerWaalsContact O-N 3.16Å; M230-L233 WeakPolarHBondContact O-CB 3.44Å; M230-L233 PolarHBondContact O-N 3.31Å; M230-Y236 HydrophobicContact CE-CE2 4Å; M230-Y236 HydrophobicContact CG-CD2 4.01Å; M230-Y236 HydrophobicContact CG-CE2 3.99Å; M230-Y236 WeakPolarHBondContact O-CD2 3.4Å; M230-Y236 HydrophobicContact SD-CE2 4.33Å
231T95.9Very high95.8Very high65 Ų6575.8 Ų75.840%0.39940%0.396SS..G310 helixtrans-68.4-12.1-177.654.50000113.7T229 Y236T229-T231 PolarHBondContact O-N 2.89Å; T231-Y236 HydrophobicContact CG2-CE1 3.92Å; T231-Y236 HydrophobicContact CG2-CE2 4.3Å
232K95.6Very high95.7Very high169 Ų16977.6 Ų77.674%0.73540%0.402SS*.G310 helixtrans-97.6-0.7-179.5-57.2178.5-175.8174.30112.7T229 M230T229-K232 PolarHBondContact O-N 3.22Å; M230-K232 PolarHBondContact O-N 3.31Å; M230-K232 VanDerWaalsContact O-N 3.16Å
233L95.7Very high95.4Very high30 Ų3081.1 Ų81.116%0.15742%0.424CS..SBendtrans-73.6147.3179.8-68.6172.2000111.2F174 A176 W227 M230 D235 Y236F174-L233 HydrophobicContact CB-CB 3.82Å; F174-L233 HydrophobicContact CB-CD1 3.56Å; F174-L233 HydrophobicContact CB-CG 4.32Å; F174-L233 HydrophobicContact CD2-CD1 4.09Å; F174-L233 HydrophobicContact CG-CD1 4.22Å; A176-L233 HydrophobicContact CB-CD2 3.95Å; W227-L233 HydrophobicContact CH2-CD1 3.87Å; W227-L233 HydrophobicContact CZ2-CD1 3.56Å; M230-L233 WeakPolarHBondContact O-CB 3.44Å; M230-L233 PolarHBondContact O-N 3.31Å; L233-D235 VanDerWaalsContact C-N 3.3Å; L233-D235 PolarHBondContact O-N 3.11Å; L233-Y236 WeakPolarHBondContact O-CB 3.37Å; L233-Y236 PolarHBondContact O-N 3.09Å; L233-Y236 VanDerWaalsContact O-N 3.12Å
234P95.4Very high94.9Very high82 Ų8282.1 Ų82.153%0.53244%0.438SS..THydrogen-bonded Turntrans-56-40.5-168.8-2937.3000114.7G175G175-P234 WeakPolarHBondContact O-CG 3.37Å
235D95.8Very high94Very high97 Ų9781.1 Ų81.152%0.51944%0.442SS..THydrogen-bonded Turntrans-107.521.2-174.7-53.4-41.5000111.3F174 G175 L233 K237F174-D235 PolarHBondContact O-N 2.82Å; G175-D235 WeakPolarHBondContact CA-OD2 3.4Å; L233-D235 VanDerWaalsContact C-N 3.3Å; L233-D235 PolarHBondContact O-N 3.11Å; D235-K237 PolarHBondContact O-N 3.06Å
236Y96.9Very high93.2Very high76 Ų7675.6 Ų75.630%0.29842%0.42SS..  trans-62.4137178.2175.1-97.6000111.6F174 M230 T231 L233F174-Y236 HydrophobicContact CD1-CD2 4.35Å; F174-Y236 AromaticContact CE1-CD2 3.98Å; F174-Y236 HydrophobicContact CE1-CD2 3.98Å; F174-Y236 HydrophobicContact CZ-CD2 4.1Å; F174-Y236 HydrophobicContact CZ-CE2 4.44Å; M230-Y236 HydrophobicContact CE-CE2 4Å; M230-Y236 HydrophobicContact CG-CD2 4.01Å; M230-Y236 HydrophobicContact CG-CE2 3.99Å; M230-Y236 WeakPolarHBondContact O-CD2 3.4Å; M230-Y236 HydrophobicContact SD-CE2 4.33Å; T231-Y236 HydrophobicContact CG2-CE1 3.92Å; T231-Y236 HydrophobicContact CG2-CE2 4.3Å; L233-Y236 WeakPolarHBondContact O-CB 3.37Å; L233-Y236 PolarHBondContact O-N 3.09Å; L233-Y236 VanDerWaalsContact O-N 3.12Å
237K94.9Very high92.8Very high92 Ų9274.3 Ų74.340%0.442%0.422SS..  trans-141.9156.4165.261-179.6173.7175.90109.5D209 D235 Y239D209-K237 WeakPolarHBondContact OD1-CE 3.42Å; D209-K237 IonicContact OD1-NZ 3.97Å; D209-K237 PolarHBondContact OD1-NZ 3.3Å; D235-K237 PolarHBondContact O-N 3.06Å; K237-Y239 HydrophobicContact CD-CE2 4.41Å; K237-Y239 WeakPolarHBondContact CE-OH 3.16Å; K237-Y239 HydrophobicContact CG-CD2 4.38Å; K237-Y239 HydrophobicContact CG-CE2 3.65Å; K237-Y239 WeakPolarHBondContact O-CD2 3.3Å
238P95.6Very high92.4Very high110 Ų11074.7 Ų74.771%0.71442%0.424SS*.  trans-62.5140.1177.1-2233.7000112.3
239Y96.6Very high92.2Very high26 Ų2674.4 Ų74.410%0.10242%0.421CS..  trans-119.2155.7172.8-81-99.6000110.4F174 D209 L212 K213 F216 K237F174-Y239 HydrophobicContact CE1-CD2 4.1Å; F174-Y239 AromaticContact CE1-CE2 3.6Å; F174-Y239 HydrophobicContact CE1-CE2 3.6Å; F174-Y239 AromaticContact CZ-CD2 3.96Å; F174-Y239 HydrophobicContact CZ-CD2 3.96Å; F174-Y239 AromaticContact CZ-CE2 3.86Å; F174-Y239 HydrophobicContact CZ-CE2 3.86Å; D209-Y239 PolarHBondContact OD1-OH 3.27Å; D209-Y239 VanDerWaalsContact OD1-OH 3.09Å; L212-Y239 HydrophobicContact CB-CD1 4.32Å; L212-Y239 HydrophobicContact CB-CE1 3.54Å; L212-Y239 HydrophobicContact CB-CE2 4.36Å; L212-Y239 HydrophobicContact CD1-CE1 4.45Å; L212-Y239 HydrophobicContact CD1-CE2 3.93Å; L212-Y239 WeakPolarHBondContact CD1-OH 3.37Å; K213-Y239 HydrophobicContact CG-CD1 3.99Å; K213-Y239 HydrophobicContact CG-CE1 3.91Å; F216-Y239 AromaticContact CD2-CD1 3.9Å; F216-Y239 HydrophobicContact CD2-CD1 3.9Å; F216-Y239 AromaticContact CD2-CG 3.85Å; F216-Y239 HydrophobicContact CD2-CG 3.85Å; F216-Y239 AromaticContact CE2-CD1 3.99Å; F216-Y239 HydrophobicContact CE2-CD1 3.99Å; F216-Y239 AromaticContact CE2-CD2 3.94Å; F216-Y239 HydrophobicContact CE2-CD2 3.94Å; F216-Y239 AromaticContact CE2-CG 3.68Å; F216-Y239 HydrophobicContact CE2-CG 3.68Å; K237-Y239 HydrophobicContact CD-CE2 4.41Å; K237-Y239 WeakPolarHBondContact CE-OH 3.16Å; K237-Y239 HydrophobicContact CG-CD2 4.38Å; K237-Y239 HydrophobicContact CG-CE2 3.65Å; K237-Y239 WeakPolarHBondContact O-CD2 3.3Å
240P96.1Very high91.8Very high66 Ų6677.6 Ų77.643%0.42944%0.435SS..  trans-58.6141.2173.7-21.933.6000111.2T221 Y242T221-P240 PolarHBondContact OG1-O 3.48Å; P240-Y242 HydrophobicContact CB-CE1 4.28Å; P240-Y242 HydrophobicContact CB-CE2 3.92Å; P240-Y242 HydrophobicContact CG-CE2 4.22Å; P240-Y242 WeakPolarHBondContact O-CD2 3.39Å; P240-Y242 WeakPolarHBondContact O-CE2 3.41Å; P240-Y242 PolarHBondContact O-N 3.05Å; P240-Y242 VanDerWaalsContact O-N 3.11Å
241M95.8Very high91.5Very high130 Ų13078.4 Ų78.464%0.6444%0.441SS*.  trans-76.698.8175.9-67.1-57.8-65.200110.4T221 T223T221-M241 HydrophobicContact CG2-CE 4.4Å; T221-M241 HydrophobicContact CG2-SD 3.69Å; T223-M241 HydrophobicContact CG2-CE 4.25Å
242Y95.3Very high91.4Very high50 Ų5075.3 Ų75.320%0.19642%0.422CS..  trans-86.1136.7171.5-58.9-72.7000110.6F216 R217 G220 T221 P240F216-Y242 HydrophobicContact CB-CD2 3.55Å; F216-Y242 HydrophobicContact CB-CE2 4.11Å; F216-Y242 WeakPolarHBondContact O-CB 3.27Å; R217-Y242 HydrophobicContact CB-CD1 4.48Å; R217-Y242 HydrophobicContact CG-CD1 3.7Å; R217-Y242 HydrophobicContact CG-CD2 4.21Å; R217-Y242 HydrophobicContact CG-CE1 3.45Å; R217-Y242 VanDerWaalsContact CG-CE1 3.45Å; R217-Y242 HydrophobicContact CG-CE2 3.97Å; R217-Y242 HydrophobicContact CG-CG 4.08Å; G220-Y242 WeakPolarHBondContact CA-O 3.45Å; T221-Y242 PolarHBondContact N-O 3.38Å; T221-Y242 WeakPolarHBondContact OG1-CD2 3.2Å; T221-Y242 PolarHBondContact OG1-N 2.58Å; P240-Y242 HydrophobicContact CB-CE1 4.28Å; P240-Y242 HydrophobicContact CB-CE2 3.92Å; P240-Y242 HydrophobicContact CG-CE2 4.22Å; P240-Y242 WeakPolarHBondContact O-CD2 3.39Å; P240-Y242 WeakPolarHBondContact O-CE2 3.41Å; P240-Y242 PolarHBondContact O-N 3.05Å; P240-Y242 VanDerWaalsContact O-N 3.11Å
243P91.2Very high91.1Very high83 Ų8371.1 Ų71.154%0.53941%0.412SS..  trans-71.6143.9179.830.5-35.2000111.4T245P243-T245 HydrophobicContact CB-CG2 4.41Å; P243-T245 PolarHBondContact O-N 3.23Å
244A83.6Confident90.7Very high76 Ų7672 Ų7263%0.62841%0.414SS*.THydrogen-bonded Turntrans-80.127.9175.600000113.2
245T74.5Confident90.7Very high119 Ų11968.4 Ų68.473%0.7339%0.391SS*.THydrogen-bonded Turntrans-99-3.5-174.856.10000113.3P243 S247P243-T245 HydrophobicContact CB-CG2 4.41Å; P243-T245 PolarHBondContact O-N 3.23Å; T245-S247 PolarHBondContact O-N 3.16Å; T245-S247 VanDerWaalsContact O-N 3.13Å
246T79Confident90.6Very high62 Ų6266.6 Ų66.638%0.3839%0.386SS..  trans-66.3113.7179.8-54.10000109.8R217 L218 L248R217-T246 PolarHBondContact O-OG1 3.12Å; L218-T246 HydrophobicContact CD1-CG2 3.85Å; L218-T246 WeakPolarHBondContact O-CB 3.46Å; T246-L248 PolarHBondContact O-N 2.96Å
247S85.4Confident90.6Very high67 Ų6766.9 Ų66.947%0.46940%0.399SS..  trans-70.4126.5-179.7-179.70000111.3T245 V249T245-S247 PolarHBondContact O-N 3.16Å; T245-S247 VanDerWaalsContact O-N 3.13Å; S247-V249 PolarHBondContact O-N 3.14Å; S247-V249 WeakPolarHBondContact OG-CB 3.5Å; S247-V249 VanDerWaalsContact OG-CG2 3.23Å; S247-V249 WeakPolarHBondContact OG-CG2 3.49Å; S247-V249 PolarHBondContact OG-N 2.9Å
248L90.1Very high90.6Very high10 Ų1064.8 Ų64.85%0.05239%0.394CS..G310 helixtrans-71.2-7.5173.4-63.9-178.5000113.1L218 T246 N250 V251 V252 R260 L263 Q264L218-L248 HydrophobicContact CD1-CD2 3.92Å; L218-L248 HydrophobicContact CD2-CD2 4.24Å; L218-L248 HydrophobicContact CG-CD2 4.11Å; T246-L248 PolarHBondContact O-N 2.96Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 3.11Å; L248-V251 HydrophobicContact CD2-CB 4.48Å; L248-V251 PolarHBondContact O-N 3.41Å; L248-V252 HydrophobicContact CB-CG2 4.12Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.4Å; L248-R260 HydrophobicContact CB-CG 4.46Å; L248-L263 HydrophobicContact CD1-CD2 4.29Å; L248-Q264 HydrophobicContact CD1-CG 3.5Å
249V90.3Very high90.7Very high63 Ų6359.6 Ų59.638%0.38236%0.36SS..G310 helixtrans-56-44.3-177173.80000112S247 V251 P253S247-V249 PolarHBondContact O-N 3.14Å; S247-V249 WeakPolarHBondContact OG-CB 3.5Å; S247-V249 VanDerWaalsContact OG-CG2 3.23Å; S247-V249 WeakPolarHBondContact OG-CG2 3.49Å; S247-V249 PolarHBondContact OG-N 2.9Å; V249-V251 VanDerWaalsContact C-N 3.33Å; V249-P253 WeakPolarHBondContact O-CA 3.46Å
250N87.1Confident90.7Very high143 Ų14361 Ų6177%0.76537%0.365SS*.G310 helixtrans-82-15.9179.9-63.9-20.5000112.9L248L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 3.11Å
251V90.6Very high90.8Very high31 Ų3161.3 Ų61.319%0.18836%0.363CS..THydrogen-bonded Turntrans-86.8-31.1-177.5-179.40000111.1N197 L202 L218 L248 V249N197-V251 WeakPolarHBondContact CB-O 3.41Å; N197-V251 PolarHBondContact ND2-O 2.73Å; L202-V251 HydrophobicContact CD1-CG1 3.45Å; L202-V251 VanDerWaalsContact CD1-CG1 3.45Å; L218-V251 HydrophobicContact CD1-CG2 3.85Å; L218-V251 HydrophobicContact CD2-CG1 4.3Å; L248-V251 HydrophobicContact CD2-CB 4.48Å; L248-V251 PolarHBondContact O-N 3.41Å; V249-V251 VanDerWaalsContact C-N 3.33Å
252V93.4Very high91Very high0 Ų055.1 Ų55.10%033%0.332CS..SBendtrans-136.369.3179.3-73.90000109.5A193 A196 L248 K254 L255 R260 L263A193-V252 HydrophobicContact CB-CG1 3.87Å; A196-V252 HydrophobicContact CB-CB 3.88Å; A196-V252 HydrophobicContact CB-CG1 3.88Å; L248-V252 HydrophobicContact CB-CG2 4.12Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.4Å; V252-K254 PolarHBondContact O-N 3.17Å; V252-K254 VanDerWaalsContact O-N 3.11Å; V252-L255 HydrophobicContact CB-CB 4.46Å; V252-L255 HydrophobicContact CB-CD1 3.93Å; V252-L255 HydrophobicContact CB-CG 4.07Å; V252-L255 HydrophobicContact CG1-CD1 4.37Å; V252-L255 HydrophobicContact CG2-CB 4.36Å; V252-L255 HydrophobicContact CG2-CD1 3.92Å; V252-L255 HydrophobicContact CG2-CG 4.33Å; V252-L255 PolarHBondContact O-N 3.22Å; V252-L255 VanDerWaalsContact O-N 3.1Å; V252-R260 HydrophobicContact CG2-CG 3.91Å; V252-L263 HydrophobicContact CB-CD2 4.37Å; V252-L263 HydrophobicContact CG1-CD2 3.79Å; V252-L263 HydrophobicContact CG2-CD2 3.82Å
253P90.1Very high91.1Very high81 Ų8152.8 Ų52.853%0.52632%0.323SS..THydrogen-bonded Turntrans-63.6-21.9-170.926.1-35.3000113.3V249 L255V249-P253 WeakPolarHBondContact O-CA 3.46Å; P253-L255 VanDerWaalsContact C-N 3.34Å
254K88.4Confident91.4Very high48 Ų4853.3 Ų53.321%0.20932%0.318CS..THydrogen-bonded Turntrans-79.4-13179.2-62.2-177.1176-1740114.3D97 L98 A196 V252D97-K254 VanDerWaalsContact OD1-CE 3.32Å; D97-K254 WeakPolarHBondContact OD1-CE 3.24Å; D97-K254 IonicContact OD1-NZ 2.99Å; D97-K254 PolarHBondContact OD1-NZ 2.97Å; L98-K254 WeakPolarHBondContact O-CD 3.39Å; L98-K254 WeakPolarHBondContact O-CE 3.43Å; L98-K254 PolarHBondContact O-NZ 3.26Å; A196-K254 HydrophobicContact CB-CB 4.36Å; A196-K254 WeakPolarHBondContact O-CG 3.24Å; V252-K254 PolarHBondContact O-N 3.17Å; V252-K254 VanDerWaalsContact O-N 3.11Å
255L94Very high92.1Very high7 Ų751.7 Ų51.74%0.03730%0.3CS..  trans-86.1141.2-179.6-64-174.2000111.3V103 F192 A196 V252 P253 R260 L263 Y285V103-L255 HydrophobicContact CG1-CD2 4.34Å; F192-L255 HydrophobicContact CD1-CD1 4.38Å; F192-L255 HydrophobicContact CE1-CD1 3.87Å; F192-L255 HydrophobicContact CE1-CD2 4.38Å; F192-L255 HydrophobicContact CE2-CD1 4.29Å; F192-L255 HydrophobicContact CE2-CD2 3.59Å; F192-L255 HydrophobicContact CZ-CD1 3.82Å; F192-L255 HydrophobicContact CZ-CD2 3.5Å; F192-L255 VanDerWaalsContact CZ-CD2 3.5Å; F192-L255 HydrophobicContact CZ-CG 4.34Å; A196-L255 HydrophobicContact CB-CD1 4.05Å; A196-L255 HydrophobicContact CB-CD2 3.88Å; A196-L255 HydrophobicContact CB-CG 3.62Å; V252-L255 HydrophobicContact CB-CB 4.46Å; V252-L255 HydrophobicContact CB-CD1 3.93Å; V252-L255 HydrophobicContact CB-CG 4.07Å; V252-L255 HydrophobicContact CG1-CD1 4.37Å; V252-L255 HydrophobicContact CG2-CB 4.36Å; V252-L255 HydrophobicContact CG2-CD1 3.92Å; V252-L255 HydrophobicContact CG2-CG 4.33Å; V252-L255 PolarHBondContact O-N 3.22Å; V252-L255 VanDerWaalsContact O-N 3.1Å; P253-L255 VanDerWaalsContact C-N 3.34Å; L255-R260 HydrophobicContact CB-CG 3.99Å; L255-R260 PolarHBondContact O-NH1 3.38Å; L255-L263 HydrophobicContact CD1-CB 4.29Å; L255-L263 HydrophobicContact CD1-CD2 4.06Å; L255-Y285 HydrophobicContact CD2-CE2 4.4Å
256S94.4Very high93.3Very high59 Ų5946 Ų4641%0.41327%0.265SS..  trans-70.6176.9164.364.50000110.9T258 G259 R260S256-T258 VanDerWaalsContact C-N 3.25Å; S256-T258 PolarHBondContact O-N 3.29Å; S256-T258 PolarHBondContact OG-N 3.07Å; S256-G259 PolarHBondContact O-N 3.29Å; S256-G259 PolarHBondContact OG-N 3.48Å; S256-R260 PolarHBondContact O-N 3.48Å
257S95.4Very high94.2Very high82 Ų8243.3 Ų43.357%0.57325%0.248SC*.Hα-helixtrans-54.7-44.917045.30000111.4G259 R260 D261S257-G259 PolarHBondContact O-N 3.49Å; S257-R260 PolarHBondContact O-N 3.35Å; S257-D261 PolarHBondContact O-N 3.29Å
258T96.7Very high94.8Very high48 Ų4843.9 Ų43.929%0.29424%0.242SC..Hα-helixtrans-63.9-38177.5-40.60000112.7S256 D261 L262 H283 P284 Y285S256-T258 VanDerWaalsContact C-N 3.25Å; S256-T258 PolarHBondContact O-N 3.29Å; S256-T258 PolarHBondContact OG-N 3.07Å; T258-D261 PolarHBondContact O-N 3.28Å; T258-L262 PolarHBondContact O-N 3.4Å; T258-L262 VanDerWaalsContact O-N 3.13Å; T258-H283 PolarHBondContact O-CE1 3.03Å; T258-H283 VanDerWaalsContact O-CE1 3.3Å; T258-P284 HydrophobicContact CG2-CB 3.75Å; T258-Y285 VanDerWaalsContact CG2-N 3.31Å
259G97.1Very high95.1Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-66.8-40.717500000112.4F192 S256 S257 D261 L262 L263F192-G259 WeakPolarHBondContact CE1-O 3.43Å; S256-G259 PolarHBondContact O-N 3.29Å; S256-G259 PolarHBondContact OG-N 3.48Å; S257-G259 PolarHBondContact O-N 3.49Å; G259-D261 VanDerWaalsContact C-N 3.33Å; G259-L262 PolarHBondContact O-N 3.4Å; G259-L263 PolarHBondContact O-N 2.79Å
260R97.3Very high95.5Very high55 Ų5541.8 Ų41.821%0.20823%0.23CC..Hα-helixtrans-65-36.7174.9-74.3-174.1-69.7-86.1-4112.4L248 V252 L255 S256 S257 L263 Q264L248-R260 HydrophobicContact CB-CG 4.46Å; V252-R260 HydrophobicContact CG2-CG 3.91Å; L255-R260 HydrophobicContact CB-CG 3.99Å; L255-R260 PolarHBondContact O-NH1 3.38Å; S256-R260 PolarHBondContact O-N 3.48Å; S257-R260 PolarHBondContact O-N 3.35Å; R260-L263 PolarHBondContact O-N 3.15Å; R260-Q264 WeakPolarHBondContact O-CG 3.31Å; R260-Q264 PolarHBondContact O-N 3.34Å
261D97.8Very high95.9Very high73 Ų7336.2 Ų36.239%0.3920%0.201SC..Hα-helixtrans-62.4-48.1174.9-173.378000111.5S257 T258 G259 L263 Q264 N265 H283S257-D261 PolarHBondContact O-N 3.29Å; T258-D261 PolarHBondContact O-N 3.28Å; G259-D261 VanDerWaalsContact C-N 3.33Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.12Å; D261-Q264 PolarHBondContact O-N 3.36Å; D261-Q264 VanDerWaalsContact O-N 3.15Å; D261-N265 PolarHBondContact O-N 3.31Å; D261-N265 PolarHBondContact O-ND2 3.25Å; D261-N265 PolarHBondContact OD2-ND2 2.62Å; D261-N265 VanDerWaalsContact OD2-ND2 3.12Å; D261-H283 IonicContact OD2-CE1 3.12Å; D261-H283 IonicContact OD2-NE2 3.59Å; D261-H283 PolarHBondContact OD2-NE2 3.3Å
262L98.6Very high96.2Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-56.9-44.8173.6178.657.8000111.8F192 T258 G259 Q264 N265 L266 I275 A280 H283 Y285 F286F192-L262 HydrophobicContact CE1-CB 4.3Å; F192-L262 HydrophobicContact CE1-CD2 4.05Å; F192-L262 HydrophobicContact CE1-CG 4.17Å; F192-L262 HydrophobicContact CZ-CD2 4.46Å; T258-L262 PolarHBondContact O-N 3.4Å; T258-L262 VanDerWaalsContact O-N 3.13Å; G259-L262 PolarHBondContact O-N 3.4Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.93Å; L262-N265 PolarHBondContact O-N 2.83Å; L262-L266 HydrophobicContact CD1-CD1 4.26Å; L262-L266 HydrophobicContact CD1-CG 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.06Å; L262-L266 WeakPolarHBondContact O-CG 3.17Å; L262-L266 PolarHBondContact O-N 3.12Å; L262-I275 HydrophobicContact CD1-CD1 4.45Å; L262-A280 HydrophobicContact CD1-CB 4Å; L262-H283 HydrophobicContact CD1-CB 4.05Å; L262-Y285 HydrophobicContact CD2-CD1 3.68Å; L262-Y285 HydrophobicContact CD2-CG 4.18Å; L262-F286 HydrophobicContact CD2-CE2 3.62Å; L262-F286 HydrophobicContact CD2-CZ 3.91Å
263L98.4Very high96.4Very high1 Ų145.4 Ų45.41%0.00525%0.25CS..Hα-helixtrans-60.3-42.2178.1-179.563.1000112.1G189 F192 A193 L248 V252 L255 G259 R260 D261 N265 L266 L267G189-L263 WeakPolarHBondContact O-CD1 3.5Å; F192-L263 HydrophobicContact CB-CD1 4.19Å; F192-L263 HydrophobicContact CD1-CB 3.98Å; F192-L263 HydrophobicContact CD1-CD1 3.91Å; F192-L263 HydrophobicContact CE1-CB 4.13Å; F192-L263 HydrophobicContact CG-CD1 4.42Å; A193-L263 HydrophobicContact CB-CD1 4.28Å; A193-L263 HydrophobicContact CB-CD2 4.32Å; L248-L263 HydrophobicContact CD1-CD2 4.29Å; V252-L263 HydrophobicContact CB-CD2 4.37Å; V252-L263 HydrophobicContact CG1-CD2 3.79Å; V252-L263 HydrophobicContact CG2-CD2 3.82Å; L255-L263 HydrophobicContact CD1-CB 4.29Å; L255-L263 HydrophobicContact CD1-CD2 4.06Å; G259-L263 PolarHBondContact O-N 2.79Å; R260-L263 PolarHBondContact O-N 3.15Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.12Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 3.38Å; L263-L266 PolarHBondContact O-N 3.13Å; L263-L267 HydrophobicContact CD1-CD1 3.66Å; L263-L267 HydrophobicContact CD1-CG 4.02Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.16Å; L263-L267 PolarHBondContact O-N 3.44Å
264Q97.3Very high96.8Very high94 Ų9442.3 Ų42.344%0.43923%0.228SC..Hα-helixtrans-65.5-35.1176.6-74.1174.7-15.700112.6L248 R260 D261 L262 L267 K268L248-Q264 HydrophobicContact CD1-CG 3.5Å; R260-Q264 WeakPolarHBondContact O-CG 3.31Å; R260-Q264 PolarHBondContact O-N 3.34Å; D261-Q264 PolarHBondContact O-N 3.36Å; D261-Q264 VanDerWaalsContact O-N 3.15Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.93Å; Q264-L267 PolarHBondContact O-N 3.4Å; Q264-K268 PolarHBondContact O-N 3.5Å
265N98.4Very high97.3Very high43 Ų4341.2 Ų41.223%0.2322%0.224CC..Hα-helixtrans-69.9-33.7175.5-77.6-55.2000112.5D261 L262 L263 I275D261-N265 PolarHBondContact O-N 3.31Å; D261-N265 PolarHBondContact O-ND2 3.25Å; D261-N265 PolarHBondContact OD2-ND2 2.62Å; D261-N265 VanDerWaalsContact OD2-ND2 3.12Å; L262-N265 PolarHBondContact O-N 2.83Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 3.38Å; N265-I275 HydrophobicContact CB-CB 4.05Å; N265-I275 HydrophobicContact CB-CD1 4.39Å; N265-I275 HydrophobicContact CB-CG2 3.89Å; N265-I275 PolarHBondContact O-N 2.86Å
266L98.6Very high97.5Very high0 Ų042.5 Ų42.50%023%0.234CC..Hα-helixtrans-72.6-38.2172.8-69.1163.7000112.4M107 M185 F192 L262 L263 K268 I275M107-L266 HydrophobicContact CE-CD1 3.55Å; M185-L266 HydrophobicContact CB-CD2 4.41Å; M185-L266 HydrophobicContact CE-CD2 3.52Å; F192-L266 HydrophobicContact CD1-CD1 4.13Å; L262-L266 HydrophobicContact CD1-CD1 4.26Å; L262-L266 HydrophobicContact CD1-CG 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.06Å; L262-L266 WeakPolarHBondContact O-CG 3.17Å; L262-L266 PolarHBondContact O-N 3.12Å; L263-L266 PolarHBondContact O-N 3.13Å; L266-K268 PolarHBondContact O-N 3.18Å; L266-I275 HydrophobicContact CD2-CG2 3.72Å; L266-I275 HydrophobicContact CG-CG2 3.96Å
267L98.3Very high97.7Very high5 Ų539.8 Ų39.83%0.02622%0.215CC..THydrogen-bonded Turntrans-93.326.9-175.8-64.9-177.6000113.9W186 L202 L219 L263 Q264 C269W186-L267 HydrophobicContact CD2-CD2 4.07Å; W186-L267 HydrophobicContact CE3-CD2 4.1Å; W186-L267 HydrophobicContact CH2-CD2 4.34Å; W186-L267 HydrophobicContact CZ2-CD2 4.32Å; W186-L267 HydrophobicContact CZ3-CB 4.24Å; W186-L267 HydrophobicContact CZ3-CD2 4.25Å; W186-L267 VanDerWaalsContact CZ3-O 3.3Å; W186-L267 WeakPolarHBondContact CZ3-O 3.14Å; L202-L267 HydrophobicContact CD2-CD1 3.68Å; L219-L267 HydrophobicContact CD1-CB 4.01Å; L219-L267 WeakPolarHBondContact CD1-O 3.35Å; L263-L267 HydrophobicContact CD1-CD1 3.66Å; L263-L267 HydrophobicContact CD1-CG 4.02Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.16Å; L263-L267 PolarHBondContact O-N 3.44Å; Q264-L267 PolarHBondContact O-N 3.4Å; L267-C269 PolarHBondContact O-N 2.78Å
268K97.9Very high97.8Very high79 Ų7942.3 Ų42.334%0.34322%0.218SC..  trans-65128.2170.4-67.5-67.5-173.6175.70110.3Q264 L266 N270 Q273 R274Q264-K268 PolarHBondContact O-N 3.5Å; L266-K268 PolarHBondContact O-N 3.18Å; K268-N270 PolarHBondContact O-N 2.95Å; K268-Q273 HydrophobicContact CB-CB 4.06Å; K268-Q273 HydrophobicContact CG-CB 4.13Å; K268-R274 HydrophobicContact CB-CG 3.81Å; K268-R274 WeakPolarHBondContact O-CD 3.14Å; K268-R274 VanDerWaalsContact O-CG 3.25Å; K268-R274 WeakPolarHBondContact O-CG 3.41Å; K268-R274 PolarHBondContact O-NE 2.97Å
269C97.7Very high97.9Very high13 Ų1345.2 Ų45.29%0.08823%0.228CC..SBendtrans-62.6-44.3177.8-68.60000111.8P170 P222 W227 L267 P271 R274P170-C269 HydrophobicContact CG-CB 4.22Å; P222-C269 HydrophobicContact CG-CB 3.43Å; P222-C269 VanDerWaalsContact CG-CB 3.43Å; W227-C269 HydrophobicContact CE3-CB 4.3Å; W227-C269 HydrophobicContact CZ3-CB 4.36Å; L267-C269 PolarHBondContact O-N 2.78Å; C269-P271 WeakPolarHBondContact O-CD 3.43Å; C269-R274 PolarHBondContact O-NH2 3.02Å
270N97.4Very high98Very high16 Ų1645.2 Ų45.29%0.08623%0.228CC..SBendtrans-69.8117.5174.6-177.6-11.3000109.8Q226 W227 K268 V272 Q273Q226-N270 PolarHBondContact O-ND2 3.29Å; W227-N270 HydrophobicContact CB-CB 4.03Å; W227-N270 HydrophobicContact CD2-CB 4.21Å; W227-N270 HydrophobicContact CG-CB 3.81Å; K268-N270 PolarHBondContact O-N 2.95Å; N270-V272 PolarHBondContact O-N 2.97Å; N270-V272 VanDerWaalsContact O-N 3.17Å; N270-V272 PolarHBondContact OD1-N 3.47Å; N270-V272 VanDerWaalsContact OD1-N 3.1Å; N270-Q273 HydrophobicContact CB-CB 4.35Å; N270-Q273 HydrophobicContact CB-CG 4.19Å; N270-Q273 PolarHBondContact O-N 3.23Å; N270-Q273 VanDerWaalsContact O-N 3.08Å
271P97Very high98Very high25 Ų2544.4 Ų44.416%0.16223%0.228CC..G310 helixtrans-60.7-26.6-176.923.6-34.1000114.2D171 S182 C269 Q273 R274D171-P271 HydrophobicContact CB-CG 4.03Å; S182-P271 WeakPolarHBondContact CB-O 3.37Å; S182-P271 WeakPolarHBondContact OG-CB 3.29Å; C269-P271 WeakPolarHBondContact O-CD 3.43Å; P271-Q273 VanDerWaalsContact C-N 3.3Å; P271-R274 PolarHBondContact O-N 3.26Å
272V96.7Very high98Very high131 Ų13147.9 Ų47.979%0.79424%0.242SC*.G310 helixtrans-73.9-24.1179.6-179.30000111.9N270N270-V272 PolarHBondContact O-N 2.97Å; N270-V272 VanDerWaalsContact O-N 3.17Å; N270-V272 PolarHBondContact OD1-N 3.47Å; N270-V272 VanDerWaalsContact OD1-N 3.1Å
273Q97.3Very high98Very high93 Ų9348.8 Ų48.844%0.43525%0.246SC..G310 helixtrans-90.9-6.9178.9-66.2-178.8-17.500113Q226 K268 N270 P271Q226-Q273 PolarHBondContact O-NE2 3.22Å; K268-Q273 HydrophobicContact CB-CB 4.06Å; K268-Q273 HydrophobicContact CG-CB 4.13Å; N270-Q273 HydrophobicContact CB-CB 4.35Å; N270-Q273 HydrophobicContact CB-CG 4.19Å; N270-Q273 PolarHBondContact O-N 3.23Å; N270-Q273 VanDerWaalsContact O-N 3.08Å; P271-Q273 VanDerWaalsContact C-N 3.3Å
274R98.1Very high98Very high17 Ų1753 Ų536%0.06427%0.273CS..SBendtrans-71.8131.4178.8-70.8179.5-149.3139.612.4109.7D171 S182 K268 C269 P271D171-R274 IonicContact OD1-CZ 2.87Å; D171-R274 IonicContact OD1-NH1 2.8Å; D171-R274 PolarHBondContact OD1-NH1 3.49Å; D171-R274 IonicContact OD1-NH2 3.13Å; D171-R274 PolarHBondContact OD1-NH2 2.74Å; S182-R274 WeakPolarHBondContact O-CD 3.32Å; S182-R274 PolarHBondContact O-NH1 3.1Å; K268-R274 HydrophobicContact CB-CG 3.81Å; K268-R274 WeakPolarHBondContact O-CD 3.14Å; K268-R274 VanDerWaalsContact O-CG 3.25Å; K268-R274 WeakPolarHBondContact O-CG 3.41Å; K268-R274 PolarHBondContact O-NE 2.97Å; C269-R274 PolarHBondContact O-NH2 3.02Å; P271-R274 PolarHBondContact O-N 3.26Å
275I98.7Very high98Very high24 Ų2449.4 Ų49.412%0.12326%0.256CS..PPolyproline II helixtrans-59.2139.6174.8-166.2169.5000110.9M185 L262 N265 L266 E279 A280M185-I275 WeakPolarHBondContact CG-O 3.42Å; L262-I275 HydrophobicContact CD1-CD1 4.45Å; N265-I275 HydrophobicContact CB-CB 4.05Å; N265-I275 HydrophobicContact CB-CD1 4.39Å; N265-I275 HydrophobicContact CB-CG2 3.89Å; N265-I275 PolarHBondContact O-N 2.86Å; L266-I275 HydrophobicContact CD2-CG2 3.72Å; L266-I275 HydrophobicContact CG-CG2 3.96Å; I275-E279 HydrophobicContact CD1-CB 3.99Å; I275-E279 HydrophobicContact CG1-CB 3.54Å; I275-A280 HydrophobicContact CD1-CB 4.15Å; I275-A280 HydrophobicContact CG1-CB 4.3Å; I275-A280 HydrophobicContact CG2-CB 4.26Å
276S98.8Very high97.9Very high35 Ų3547.9 Ų47.925%0.24525%0.247CC..PPolyproline II helixtrans-74.2163.7173.468.80000111.8E278 E279 A280S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 2.89Å; S276-E279 VanDerWaalsContact CB-OE2 3.28Å; S276-E279 WeakPolarHBondContact CB-OE2 3.17Å; S276-E279 PolarHBondContact N-OE2 3.15Å; S276-E279 PolarHBondContact O-N 2.9Å; S276-E279 WeakPolarHBondContact OG-CB 3.26Å; S276-E279 VanDerWaalsContact OG-CD 3.25Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.45Å; S276-E279 PolarHBondContact OG-N 3.27Å; S276-E279 PolarHBondContact OG-OE2 3.11Å; S276-A280 WeakPolarHBondContact O-CB 3.13Å; S276-A280 PolarHBondContact O-N 2.88Å
277A98.5Very high97.6Very high2 Ų251.4 Ų51.42%0.01728%0.277CS..Hα-helixtrans-62.8-34.417600000112.5L111 L114 A115 M185 L281L111-A277 HydrophobicContact CD2-CB 4.49Å; L114-A277 HydrophobicContact CB-CB 4.16Å; A115-A277 HydrophobicContact CB-CB 3.82Å; M185-A277 HydrophobicContact CE-CB 3.92Å; M185-A277 HydrophobicContact SD-CB 3.79Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.32Å; A277-L281 PolarHBondContact O-N 2.68Å; A277-L281 VanDerWaalsContact O-N 3.13Å
278E97.9Very high97.1Very high135 Ų13558.6 Ų58.663%0.63132%0.315SS*.Hα-helixtrans-68.8-47.1179.1-174.7169.5-169.200111.8S276 L281 Q282S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 2.89Å; E278-L281 PolarHBondContact O-N 3.24Å; E278-Q282 PolarHBondContact O-N 2.93Å
279E98.4Very high96.6Very high108 Ų10856.2 Ų56.251%0.50531%0.305SS..Hα-helixtrans-65.4-38.9174.7-67.4161.9138.300111.4I275 S276 L281 Q282 H283I275-E279 HydrophobicContact CD1-CB 3.99Å; I275-E279 HydrophobicContact CG1-CB 3.54Å; S276-E279 VanDerWaalsContact CB-OE2 3.28Å; S276-E279 WeakPolarHBondContact CB-OE2 3.17Å; S276-E279 PolarHBondContact N-OE2 3.15Å; S276-E279 PolarHBondContact O-N 2.9Å; S276-E279 WeakPolarHBondContact OG-CB 3.26Å; S276-E279 VanDerWaalsContact OG-CD 3.25Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.45Å; S276-E279 PolarHBondContact OG-N 3.27Å; S276-E279 PolarHBondContact OG-OE2 3.11Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 2.85Å; E279-Q282 PolarHBondContact O-N 3.34Å; E279-H283 PolarHBondContact O-N 2.66Å
280A98.6Very high95.5Very high0 Ų060.8 Ų60.80%034%0.336CS..Hα-helixtrans-62.4-34.2177.800000112.6L111 L262 I275 S276 Q282 H283 F286L111-A280 HydrophobicContact CD1-CB 3.83Å; L111-A280 HydrophobicContact CD2-CB 3.93Å; L262-A280 HydrophobicContact CD1-CB 4Å; I275-A280 HydrophobicContact CD1-CB 4.15Å; I275-A280 HydrophobicContact CG1-CB 4.3Å; I275-A280 HydrophobicContact CG2-CB 4.26Å; S276-A280 WeakPolarHBondContact O-CB 3.13Å; S276-A280 PolarHBondContact O-N 2.88Å; A280-Q282 VanDerWaalsContact C-N 3.26Å; A280-Q282 PolarHBondContact O-N 2.94Å; A280-H283 WeakPolarHBondContact O-CB 3.41Å; A280-H283 PolarHBondContact O-N 3.42Å; A280-F286 VanDerWaalsContact O-CD2 3.29Å; A280-F286 WeakPolarHBondContact O-CD2 3.18Å; A280-F286 WeakPolarHBondContact O-CE2 3.34Å
281L97.9Very high93.9Very high38 Ų3863.3 Ų63.320%0.19935%0.353CS..Hα-helixtrans-69.1-23.7174.7-75.3165.2000113.2Y108 L111 K112 A115 A277 E278 E279 H283Y108-L281 HydrophobicContact CD2-CD2 3.69Å; Y108-L281 HydrophobicContact CE2-CD2 3.61Å; Y108-L281 HydrophobicContact CG-CD2 4.32Å; L111-L281 HydrophobicContact CB-CD2 3.72Å; L111-L281 HydrophobicContact CB-CG 3.89Å; K112-L281 HydrophobicContact CG-CD1 4.1Å; K112-L281 HydrophobicContact CG-CD2 3.69Å; A115-L281 HydrophobicContact CB-CD1 3.91Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.32Å; A277-L281 PolarHBondContact O-N 2.68Å; A277-L281 VanDerWaalsContact O-N 3.13Å; E278-L281 PolarHBondContact O-N 3.24Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 2.85Å; L281-H283 VanDerWaalsContact C-N 3.33Å
282Q97.7Very high91.9Very high147 Ų14768.8 Ų68.869%0.68739%0.389SS*.THydrogen-bonded Turntrans-89.7-1.7176.1-60.8173.715.200112.3E278 E279 A280E278-Q282 PolarHBondContact O-N 2.93Å; E279-Q282 PolarHBondContact O-N 3.34Å; A280-Q282 VanDerWaalsContact C-N 3.26Å; A280-Q282 PolarHBondContact O-N 2.94Å
283H98.4Very high91.7Very high18 Ų1865.7 Ų65.78%0.08337%0.368CS..SBendtrans-64.2143.5-177.3-166.5-90.4000111.7T258 D261 L262 E279 A280 L281 Y285 F286T258-H283 PolarHBondContact O-CE1 3.03Å; T258-H283 VanDerWaalsContact O-CE1 3.3Å; D261-H283 IonicContact OD2-CE1 3.12Å; D261-H283 IonicContact OD2-NE2 3.59Å; D261-H283 PolarHBondContact OD2-NE2 3.3Å; L262-H283 HydrophobicContact CD1-CB 4.05Å; E279-H283 PolarHBondContact O-N 2.66Å; A280-H283 WeakPolarHBondContact O-CB 3.41Å; A280-H283 PolarHBondContact O-N 3.42Å; L281-H283 VanDerWaalsContact C-N 3.33Å; H283-Y285 WeakPolarHBondContact ND1-CB 3.23Å; H283-Y285 PolarHBondContact ND1-N 3.11Å; H283-Y285 PolarHBondContact O-N 3.27Å; H283-F286 PolarHBondContact O-N 3.26Å
284P97.7Very high91.4Very high90 Ų9064.3 Ų64.358%0.58437%0.365SS*.G310 helixtrans-56.9-15.5179.7-26.734.4000115.4T258 F286 A287T258-P284 HydrophobicContact CG2-CB 3.75Å; P284-F286 PolarHBondContact O-N 2.96Å; P284-A287 WeakPolarHBondContact O-CB 3.41Å; P284-A287 PolarHBondContact O-N 3.38Å
285Y97.4Very high91Very high18 Ų1866.9 Ų66.97%0.07138%0.382CS..G310 helixtrans-62.3-26.1173.9-178.7-112.5000112.5K104 F192 L255 T258 L262 H283K104-Y285 HydrophobicContact CB-CE1 4.19Å; K104-Y285 HydrophobicContact CG-CD1 4.39Å; K104-Y285 HydrophobicContact CG-CE1 3.79Å; F192-Y285 AromaticContact CE2-CE1 3.92Å; F192-Y285 HydrophobicContact CE2-CE1 3.92Å; F192-Y285 HydrophobicContact CZ-CD1 4.15Å; F192-Y285 AromaticContact CZ-CE1 3.54Å; F192-Y285 HydrophobicContact CZ-CE1 3.54Å; F192-Y285 HydrophobicContact CZ-CE2 4.42Å; F192-Y285 AromaticContact CZ-CZ 3.71Å; L255-Y285 HydrophobicContact CD2-CE2 4.4Å; T258-Y285 VanDerWaalsContact CG2-N 3.31Å; L262-Y285 HydrophobicContact CD2-CD1 3.68Å; L262-Y285 HydrophobicContact CD2-CG 4.18Å; H283-Y285 WeakPolarHBondContact ND1-CB 3.23Å; H283-Y285 PolarHBondContact ND1-N 3.11Å; H283-Y285 PolarHBondContact O-N 3.27Å
286F96.9Very high90.5Very high11 Ų1169.4 Ų69.45%0.04840%0.397CS..G310 helixtrans-106.64.9178.6-56.9-63.1000113.8K104 M107 Y108 L111 L262 A280 H283 P284 D288 F289K104-F286 HydrophobicContact CG-CD1 3.8Å; K104-F286 HydrophobicContact CG-CE1 3.89Å; M107-F286 HydrophobicContact CB-CE1 4.45Å; M107-F286 HydrophobicContact CB-CZ 4.22Å; M107-F286 HydrophobicContact CG-CZ 3.97Å; Y108-F286 HydrophobicContact CD2-CB 4.14Å; Y108-F286 AromaticContact CD2-CD1 3.73Å; Y108-F286 HydrophobicContact CD2-CD1 3.73Å; Y108-F286 HydrophobicContact CD2-CD2 4.3Å; Y108-F286 HydrophobicContact CD2-CE1 4.16Å; Y108-F286 AromaticContact CD2-CG 3.8Å; Y108-F286 HydrophobicContact CD2-CG 3.8Å; Y108-F286 HydrophobicContact CE2-CB 4.43Å; Y108-F286 HydrophobicContact CE2-CG 4.5Å; Y108-F286 HydrophobicContact CG-CD1 4.32Å; Y108-F286 HydrophobicContact CG-CE1 4.46Å; L111-F286 HydrophobicContact CD1-CE2 3.53Å; L111-F286 HydrophobicContact CD1-CZ 3.75Å; L262-F286 HydrophobicContact CD2-CE2 3.62Å; L262-F286 HydrophobicContact CD2-CZ 3.91Å; A280-F286 VanDerWaalsContact O-CD2 3.29Å; A280-F286 WeakPolarHBondContact O-CD2 3.18Å; A280-F286 WeakPolarHBondContact O-CE2 3.34Å; H283-F286 PolarHBondContact O-N 3.26Å; P284-F286 PolarHBondContact O-N 2.96Å; F286-D288 VanDerWaalsContact C-N 3.3Å; F286-D288 PolarHBondContact O-N 3.13Å; F286-F289 HydrophobicContact CB-CB 4.4Å; F286-F289 WeakPolarHBondContact O-CB 3.39Å; F286-F289 PolarHBondContact O-N 3.07Å
287A91.8Very high90Very high75 Ų7571.6 Ų71.662%0.6241%0.406SS*.THydrogen-bonded Turntrans-58.4-40.7-174.200000113P284P284-A287 WeakPolarHBondContact O-CB 3.41Å; P284-A287 PolarHBondContact O-N 3.38Å
288D87.9Confident89.5Confident156 Ų15676.2 Ų76.283%0.83443%0.432SS*.THydrogen-bonded Turntrans-95.311.9180-56.9-38.8000112.8F286F286-D288 VanDerWaalsContact C-N 3.3Å; F286-D288 PolarHBondContact O-N 3.13Å
289F87.1Confident88.8Confident29 Ų2972 Ų7213%0.12742%0.418CS..  trans-90.2115.2-175.3-168.5-115.3000111.5K104 S105 Y108 F286K104-F289 HydrophobicContact CD-CB 3.95Å; K104-F289 HydrophobicContact CD-CD2 3.47Å; K104-F289 VanDerWaalsContact CD-CD2 3.47Å; K104-F289 HydrophobicContact CD-CE2 4.22Å; K104-F289 HydrophobicContact CD-CG 3.88Å; K104-F289 HydrophobicContact CG-CD2 3.96Å; K104-F289 HydrophobicContact CG-CE2 4.37Å; K104-F289 HydrophobicContact CG-CG 4.24Å; S105-F289 VanDerWaalsContact CA-CZ 3.42Å; Y108-F289 HydrophobicContact CD1-CD1 4.08Å; Y108-F289 AromaticContact CD1-CE1 3.84Å; Y108-F289 HydrophobicContact CD1-CE1 3.84Å; Y108-F289 HydrophobicContact CD2-CD1 4.08Å; Y108-F289 AromaticContact CG-CD1 3.82Å; Y108-F289 HydrophobicContact CG-CD1 3.82Å; Y108-F289 AromaticContact CG-CE1 3.84Å; Y108-F289 HydrophobicContact CG-CE1 3.84Å; F286-F289 HydrophobicContact CB-CB 4.4Å; F286-F289 WeakPolarHBondContact O-CB 3.39Å; F286-F289 PolarHBondContact O-N 3.07Å
290C74.9Confident88.1Confident109 Ų10969.2 Ų69.274%0.73641%0.411SS*.  trans-86.3121.4163.9-700000108.3
291P64.8Low87.2Confident68 Ų6875 Ų7544%0.44245%0.446SS..  trans-55.5131.3171.7-2131.9000109.3Y108Y108-P291 HydrophobicContact CE1-CB 4.38Å; Y108-P291 HydrophobicContact CE1-CG 3.95Å
292P54.4Low86.3Confident141 Ų14178.4 Ų78.492%0.91647%0.468SS*.  trans-62.10169.626.1-32.4000111.5

Retrieved 292 of 292 residues in 366.9 ms (Link to these results)

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