A0A090N7W4_HUMAN Loading...

Cyclin-dependent kinase 5

AlphaFold DB (Q00535), UniProt , Accession A0A090N7W4, Species HUMAN (Homo sapiens, Human), Gene CDK5, 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
1M59.9Low87.8Confident121 Ų12184.8 Ų84.860%0.59641%0.411SS*.  015.40-83.1-174.9-163.900113.7K6 R34M1-K6 WeakPolarHBondContact SD-CE 3.15Å; M1-K6 PolarHBondContact SD-NZ 3.4Å; M1-R34 VanDerWaalsContact CE-NE 3.26Å
2Q78.2Confident87.1Confident180 Ų18087.1 Ų87.184%0.84142%0.42SS*.  trans-70.7-35.5173.1-73.8177.5-7.400112.3R24Q2-R24 WeakPolarHBondContact O-CD 3.38Å; Q2-R24 PolarHBondContact O-NE 2.95Å
3K89.8Confident85.7Confident76 Ų7683 Ų8333%0.3342%0.415SS..SBendtrans-71.1-29.8-177-169172.5-177177.70115.7R24 E25K3-R24 WeakPolarHBondContact O-CB 3.4Å; K3-R24 PolarHBondContact O-N 2.85Å; K3-E25 WeakPolarHBondContact CE-OE2 3.34Å; K3-E25 IonicContact NZ-OE2 3.94Å
4Y93.9Very high84.2Confident14 Ų1485.1 Ų85.16%0.05543%0.434CS..EExtended strand (participates in β ladder)trans-121.3124.8-174.3-60.3-82.9000111.1K22 N23 V30 L32 L70 V79Y4-K22 CarbonylContact C-O 3.6Å; Y4-K22 WeakPolarHBondContact CA-O 3.39Å; Y4-N23 HydrophobicContact CD1-CB 4.03Å; Y4-N23 HydrophobicContact CE1-CB 3.86Å; Y4-V30 HydrophobicContact CD1-CG2 3.7Å; Y4-V30 HydrophobicContact CE1-CG2 3.9Å; Y4-L32 HydrophobicContact CD1-CD2 4.48Å; Y4-L32 HydrophobicContact CG-CD2 4.3Å; Y4-L70 HydrophobicContact CD2-CD1 3.66Å; Y4-L70 HydrophobicContact CE2-CD1 3.6Å; Y4-L70 HydrophobicContact CE2-CD2 4.41Å; Y4-L70 HydrophobicContact CE2-CG 4.42Å; Y4-V79 HydrophobicContact CE1-CG1 3.88Å; Y4-V79 HydrophobicContact CE2-CG2 3.94Å
5E94.4Very high83.1Confident78 Ų7884.9 Ų84.936%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-87.6119.3172.4177.5170.5-127.300109.9L7 A21 K22 R24E5-L7 HydrophobicContact CG-CD2 4.34Å; E5-A21 CarbonylContact O-C 3.44Å; E5-A21 WeakPolarHBondContact O-CA 3.31Å; E5-A21 WeakPolarHBondContact O-CB 3.16Å; E5-K22 PolarHBondContact N-O 3.4Å; E5-K22 PolarHBondContact O-N 3.26Å; E5-R24 HydrophobicContact CB-CG 4.31Å; E5-R24 IonicContact OE1-NH1 3.95Å; E5-R24 IonicContact OE1-NH2 3.9Å
6K94Very high82.8Confident80 Ų8079.9 Ų79.935%0.34840%0.403SS..EExtended strand (participates in β ladder)trans-74.8134.1176-65.6-179.1-172.4163.60110M1 F19 L32M1-K6 WeakPolarHBondContact SD-CE 3.15Å; M1-K6 PolarHBondContact SD-NZ 3.4Å; K6-F19 HydrophobicContact CD-CD1 4.28Å; K6-F19 HydrophobicContact CD-CG 4.36Å; K6-L32 HydrophobicContact CG-CD1 4.39Å
7L95.3Very high83.1Confident85 Ų8576.5 Ų76.545%0.44539%0.387SS..EExtended strand (participates in β ladder)trans-102.9-58.5179.1-56.5179.1000110.8E5 K20 K22 I29E5-L7 HydrophobicContact CG-CD2 4.34Å; L7-K20 HydrophobicContact CB-CB 4.42Å; L7-K20 HydrophobicContact CD1-CD 4.39Å; L7-K20 HydrophobicContact CD1-CG 4.26Å; L7-K20 PolarHBondContact N-O 2.97Å; L7-K22 HydrophobicContact CD1-CB 4.3Å; L7-I29 HydrophobicContact CD1-CD1 3.95Å
8E95Very high83.6Confident100 Ų10074.3 Ų74.347%0.46738%0.378SS..EExtended strand (participates in β ladder)trans-149.4154.9-175.159-172.6160.200111.8F19 K20E8-F19 CarbonylContact O-C 3.57Å; E8-F19 VanDerWaalsContact O-CA 3.29Å; E8-F19 WeakPolarHBondContact O-CA 3.15Å; E8-K20 HydrophobicContact CG-CB 3.63Å; E8-K20 HydrophobicContact CG-CD 3.88Å; E8-K20 HydrophobicContact CG-CG 4.47Å; E8-K20 PolarHBondContact N-O 2.98Å; E8-K20 PolarHBondContact O-N 2.95Å; E8-K20 WeakPolarHBondContact OE1-CD 3.31Å; E8-K20 IonicContact OE1-NZ 3.79Å; E8-K20 PolarHBondContact OE1-NZ 2.77Å
9K93.7Very high84.2Confident115 Ų11572.2 Ų72.250%0.537%0.366SS..EExtended strand (participates in β ladder)trans-83.1120.6169.5177.4176168.6171.20108E12 T17 F19K9-E12 IonicContact NZ-OE2 2.72Å; K9-E12 PolarHBondContact NZ-OE2 3.05Å; K9-T17 HydrophobicContact CD-CG2 3.73Å; K9-T17 HydrophobicContact CG-CG2 3.87Å; K9-F19 HydrophobicContact CB-CD1 4.01Å; K9-F19 HydrophobicContact CB-CE1 3.94Å; K9-F19 HydrophobicContact CG-CE1 4.32Å
10I88.7Confident84.8Confident57 Ų5770.7 Ų70.729%0.29236%0.357SS..EExtended strand (participates in β ladder)trans-91.6-32-178.4-53.9159.9000111V18 K20 F82I10-V18 HydrophobicContact CD1-CG1 4.33Å; I10-V18 PolarHBondContact N-O 3.39Å; I10-K20 HydrophobicContact CD1-CB 3.69Å; I10-K20 HydrophobicContact CD1-CG 4.47Å; I10-K20 VanDerWaalsContact CD1-N 3.27Å; I10-K20 HydrophobicContact CG1-CB 3.88Å; I10-F82 HydrophobicContact CD1-CD2 4.01Å; I10-F82 HydrophobicContact CD1-CE2 3.61Å; I10-F82 HydrophobicContact CG1-CE2 4.47Å
11G82.4Confident85.4Confident27 Ų2767.3 Ų67.328%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-178.3179.5-177.200000114.1V18G11-V18 PolarHBondContact N-O 3.05Å; G11-V18 PolarHBondContact O-N 3.4Å
12E80.1Confident87.2Confident112 Ų11264.8 Ų64.852%0.52333%0.326SS..EExtended strand (participates in β ladder)trans-133.8117175-167.2157.3-174.600107.2K9 R36K9-E12 IonicContact NZ-OE2 2.72Å; K9-E12 PolarHBondContact NZ-OE2 3.05Å; E12-R36 IonicContact OE1-NH2 3.53Å; E12-R36 PolarHBondContact OE1-NH2 3.22Å
13G68.3Low88Confident34 Ų3456.7 Ų56.735%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-99.1179.5176.400000110.9Y15 G16G13-Y15 PolarHBondContact O-N 2.84Å; G13-Y15 VanDerWaalsContact O-N 3.08Å; G13-G16 PolarHBondContact N-O 3.19Å; G13-G16 PolarHBondContact O-N 2.85Å
14T65Low88.2Confident112 Ų11259.4 Ų59.469%0.68730%0.297SS*.THydrogen-bonded Turntrans-54-34.1-175.5-52.70000113.9
15Y67.4Low88.2Confident82 Ų8265.4 Ų65.432%0.32233%0.325SS..THydrogen-bonded Turntrans-113.67.2-174.1-55.5-72.5000114G13G13-Y15 PolarHBondContact O-N 2.84Å; G13-Y15 VanDerWaalsContact O-N 3.08Å
16G78.5Confident88.3Confident5 Ų565.6 Ų65.65%0.05233%0.332CS..EExtended strand (participates in β ladder)trans160.7-174.6-178.300000117G13 R34G13-G16 PolarHBondContact N-O 3.19Å; G13-G16 PolarHBondContact O-N 2.85Å; G16-R34 VanDerWaalsContact CA-O 3.22Å; G16-R34 WeakPolarHBondContact CA-O 3.08Å
17T88.1Confident88.3Confident22 Ų2267.6 Ų67.614%0.13534%0.342CS..EExtended strand (participates in β ladder)trans-101.2137-175.7-45.30000111K9 F19 R34K9-T17 HydrophobicContact CD-CG2 3.73Å; K9-T17 HydrophobicContact CG-CG2 3.87Å; T17-F19 HydrophobicContact CG2-CD2 4.16Å; T17-F19 HydrophobicContact CG2-CE1 4.21Å; T17-F19 HydrophobicContact CG2-CE2 3.42Å; T17-F19 VanDerWaalsContact CG2-CE2 3.42Å; T17-F19 HydrophobicContact CG2-CZ 3.45Å; T17-F19 VanDerWaalsContact CG2-CZ 3.45Å; T17-R34 PolarHBondContact N-O 3.25Å; T17-R34 PolarHBondContact O-N 2.95Å
18V92.2Very high88.3Confident37 Ų3768 Ų6822%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-106127.3178.2-172.30000109.9I10 G11 A31 L32 K33I10-V18 HydrophobicContact CD1-CG1 4.33Å; I10-V18 PolarHBondContact N-O 3.39Å; G11-V18 PolarHBondContact N-O 3.05Å; G11-V18 PolarHBondContact O-N 3.4Å; V18-A31 HydrophobicContact CG1-CB 4.43Å; V18-L32 CarbonylContact C-O 3.58Å; V18-L32 WeakPolarHBondContact CA-O 3.34Å; V18-K33 HydrophobicContact CG2-CB 4.37Å; V18-K33 HydrophobicContact CG2-CG 4.2Å
19F94.4Very high88.4Confident34 Ų3466.3 Ų66.315%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-119.9143.8178-61.3-92.1000110.9K6 E8 K9 T17 A31 L32 R34K6-F19 HydrophobicContact CD-CD1 4.28Å; K6-F19 HydrophobicContact CD-CG 4.36Å; E8-F19 CarbonylContact O-C 3.57Å; E8-F19 VanDerWaalsContact O-CA 3.29Å; E8-F19 WeakPolarHBondContact O-CA 3.15Å; K9-F19 HydrophobicContact CB-CD1 4.01Å; K9-F19 HydrophobicContact CB-CE1 3.94Å; K9-F19 HydrophobicContact CG-CE1 4.32Å; T17-F19 HydrophobicContact CG2-CD2 4.16Å; T17-F19 HydrophobicContact CG2-CE1 4.21Å; T17-F19 HydrophobicContact CG2-CE2 3.42Å; T17-F19 VanDerWaalsContact CG2-CE2 3.42Å; T17-F19 HydrophobicContact CG2-CZ 3.45Å; T17-F19 VanDerWaalsContact CG2-CZ 3.45Å; F19-A31 CarbonylContact O-C 3.51Å; F19-A31 WeakPolarHBondContact O-CA 3.26Å; F19-L32 HydrophobicContact CB-CB 4.38Å; F19-L32 PolarHBondContact N-O 3.28Å; F19-L32 PolarHBondContact O-N 2.86Å; F19-R34 HydrophobicContact CD2-CG 4.36Å; F19-R34 HydrophobicContact CE2-CG 4.42Å
20K96.3Very high88.6Confident42 Ų4260.9 Ų60.918%0.18331%0.312CS..EExtended strand (participates in β ladder)trans-76136.6160.2-164.2176.4177.41740108.2L7 E8 I10 I29 F82L7-K20 HydrophobicContact CB-CB 4.42Å; L7-K20 HydrophobicContact CD1-CD 4.39Å; L7-K20 HydrophobicContact CD1-CG 4.26Å; L7-K20 PolarHBondContact N-O 2.97Å; E8-K20 HydrophobicContact CG-CB 3.63Å; E8-K20 HydrophobicContact CG-CD 3.88Å; E8-K20 HydrophobicContact CG-CG 4.47Å; E8-K20 PolarHBondContact N-O 2.98Å; E8-K20 PolarHBondContact O-N 2.95Å; E8-K20 WeakPolarHBondContact OE1-CD 3.31Å; E8-K20 IonicContact OE1-NZ 3.79Å; E8-K20 PolarHBondContact OE1-NZ 2.77Å; I10-K20 HydrophobicContact CD1-CB 3.69Å; I10-K20 HydrophobicContact CD1-CG 4.47Å; I10-K20 VanDerWaalsContact CD1-N 3.27Å; I10-K20 HydrophobicContact CG1-CB 3.88Å; K20-I29 HydrophobicContact CD-CG2 4.38Å; K20-I29 HydrophobicContact CG-CG2 3.88Å; K20-F82 HydrophobicContact CB-CE2 4.3Å; K20-F82 HydrophobicContact CD-CD2 4.39Å; K20-F82 HydrophobicContact CD-CE2 3.79Å; K20-F82 HydrophobicContact CD-CZ 3.95Å; K20-F82 HydrophobicContact CG-CD2 3.89Å; K20-F82 HydrophobicContact CG-CE2 3.73Å; K20-F82 HydrophobicContact CG-CZ 4.34Å
21A97.1Very high88.9Confident0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-140.9164.3175.600000111.2E5 I29 V30 L32E5-A21 CarbonylContact O-C 3.44Å; E5-A21 WeakPolarHBondContact O-CA 3.31Å; E5-A21 WeakPolarHBondContact O-CB 3.16Å; A21-I29 WeakPolarHBondContact O-CA 3.11Å; A21-V30 HydrophobicContact CB-CG2 4.02Å; A21-V30 PolarHBondContact N-O 3.33Å; A21-V30 PolarHBondContact O-N 2.94Å; A21-L32 HydrophobicContact CB-CD1 3.4Å; A21-L32 VanDerWaalsContact CB-CD1 3.4Å; A21-L32 HydrophobicContact CB-CD2 4.38Å; A21-L32 HydrophobicContact CB-CG 3.62Å
22K97.4Very high89.5Confident69 Ų6957.6 Ų57.630%0.329%0.29SS..EExtended strand (participates in β ladder)trans-114.3130.6172-171.3175.4-179.4-177.30109Y4 E5 L7 R24 H27 E28 I29Y4-K22 CarbonylContact C-O 3.6Å; Y4-K22 WeakPolarHBondContact CA-O 3.39Å; E5-K22 PolarHBondContact N-O 3.4Å; E5-K22 PolarHBondContact O-N 3.26Å; L7-K22 HydrophobicContact CD1-CB 4.3Å; K22-R24 PolarHBondContact O-N 2.86Å; K22-H27 VanDerWaalsContact CE-CB 3.49Å; K22-H27 WeakPolarHBondContact CE-O 3.46Å; K22-E28 CarbonylContact C-O 3.4Å; K22-E28 WeakPolarHBondContact CA-O 3.34Å; K22-I29 HydrophobicContact CB-CD1 4.09Å; K22-I29 HydrophobicContact CD-CD1 4.42Å; K22-I29 HydrophobicContact CG-CD1 4.09Å
23N95.9Very high90Very high9 Ų953.1 Ų53.15%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-67.6124167.8-175.9-26.3000108.4Y4 E25 T26 H27 E28Y4-N23 HydrophobicContact CD1-CB 4.03Å; Y4-N23 HydrophobicContact CE1-CB 3.86Å; N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 3.09Å; N23-E25 PolarHBondContact OD1-N 3.32Å; N23-T26 VanDerWaalsContact CB-OG1 3.31Å; N23-T26 WeakPolarHBondContact CB-OG1 3.49Å; N23-T26 PolarHBondContact ND2-OG1 3.5Å; N23-T26 PolarHBondContact OD1-N 2.95Å; N23-H27 WeakPolarHBondContact O-CA 3.46Å; N23-H27 PolarHBondContact O-N 2.98Å; N23-E28 PolarHBondContact N-O 2.89Å
24R95Very high91Very high134 Ų13453.7 Ų53.751%0.50626%0.26SS..THydrogen-bonded Turntrans-68.4-26.5-177-68.2-168.5-174.4-94.8-6.3113.1Q2 K3 E5 K22Q2-R24 WeakPolarHBondContact O-CD 3.38Å; Q2-R24 PolarHBondContact O-NE 2.95Å; K3-R24 WeakPolarHBondContact O-CB 3.4Å; K3-R24 PolarHBondContact O-N 2.85Å; E5-R24 HydrophobicContact CB-CG 4.31Å; E5-R24 IonicContact OE1-NH1 3.95Å; E5-R24 IonicContact OE1-NH2 3.9Å; K22-R24 PolarHBondContact O-N 2.86Å
25E94.1Very high91.9Very high139 Ų13948.6 Ų48.665%0.6523%0.229SC*.THydrogen-bonded Turntrans-87.4-50.1-177.7-64.8168.5179.500111.5K3 N23K3-E25 WeakPolarHBondContact CE-OE2 3.34Å; K3-E25 IonicContact NZ-OE2 3.94Å; N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 3.09Å; N23-E25 PolarHBondContact OD1-N 3.32Å
26T95Very high92.3Very high82 Ų8252.2 Ų52.250%0.50324%0.242SC..THydrogen-bonded Turntrans-92.4-10-175.265.30000113.7N23 E28N23-T26 VanDerWaalsContact CB-OG1 3.31Å; N23-T26 WeakPolarHBondContact CB-OG1 3.49Å; N23-T26 PolarHBondContact ND2-OG1 3.5Å; N23-T26 PolarHBondContact OD1-N 2.95Å; T26-E28 PolarHBondContact O-N 3.41Å; T26-E28 VanDerWaalsContact OG1-CB 3.31Å; T26-E28 WeakPolarHBondContact OG1-CB 3.27Å; T26-E28 PolarHBondContact OG1-N 3.45Å
27H94.8Very high92.2Very high123 Ų12353 Ų5357%0.56925%0.245SC*.  trans58.98.7-171.1-60.8-43.4000115.7K22 N23K22-H27 VanDerWaalsContact CE-CB 3.49Å; K22-H27 WeakPolarHBondContact CE-O 3.46Å; N23-H27 WeakPolarHBondContact O-CA 3.46Å; N23-H27 PolarHBondContact O-N 2.98Å
28E95.5Very high91.2Very high94 Ų9457.5 Ų57.544%0.43927%0.268SS..  trans-68.1142.7176.8-173.2179.4-166.400111.8K22 N23 T26 V30K22-E28 CarbonylContact C-O 3.4Å; K22-E28 WeakPolarHBondContact CA-O 3.34Å; N23-E28 PolarHBondContact N-O 2.89Å; T26-E28 PolarHBondContact O-N 3.41Å; T26-E28 VanDerWaalsContact OG1-CB 3.31Å; T26-E28 WeakPolarHBondContact OG1-CB 3.27Å; T26-E28 PolarHBondContact OG1-N 3.45Å; E28-V30 HydrophobicContact CG-CG1 4.36Å
29I97.1Very high89.7Confident63 Ų6361.2 Ų61.232%0.32329%0.287SS..EExtended strand (participates in β ladder)trans-88.3129.2174.5-57.8-61.3000109.4L7 K20 A21 K22 F82L7-I29 HydrophobicContact CD1-CD1 3.95Å; K20-I29 HydrophobicContact CD-CG2 4.38Å; K20-I29 HydrophobicContact CG-CG2 3.88Å; A21-I29 WeakPolarHBondContact O-CA 3.11Å; K22-I29 HydrophobicContact CB-CD1 4.09Å; K22-I29 HydrophobicContact CD-CD1 4.42Å; K22-I29 HydrophobicContact CG-CD1 4.09Å; I29-F82 HydrophobicContact CG2-CB 3.85Å; I29-F82 HydrophobicContact CG2-CD1 3.84Å; I29-F82 HydrophobicContact CG2-CD2 4.28Å; I29-F82 HydrophobicContact CG2-CG 3.71Å
30V96.9Very high87.9Confident2 Ų265.8 Ų65.81%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-132.8162.6-176.1-61.10000111.5Y4 A21 E28 L32 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.7Å; Y4-V30 HydrophobicContact CE1-CG2 3.9Å; A21-V30 HydrophobicContact CB-CG2 4.02Å; A21-V30 PolarHBondContact N-O 3.33Å; A21-V30 PolarHBondContact O-N 2.94Å; E28-V30 HydrophobicContact CG-CG1 4.36Å; V30-L32 HydrophobicContact CG2-CD2 4.07Å; V30-V79 HydrophobicContact CB-CG1 3.96Å; V30-V79 HydrophobicContact CG1-CG1 4.18Å; V30-V79 HydrophobicContact CG2-CG1 3.99Å; V30-F80 WeakPolarHBondContact CA-O 3.21Å; V30-F80 WeakPolarHBondContact CB-O 3.08Å
31A96.1Very high86.1Confident12 Ų1272.1 Ų72.110%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-105.3128.6170.300000110.7V18 F19 F80V18-A31 HydrophobicContact CG1-CB 4.43Å; F19-A31 CarbonylContact O-C 3.51Å; F19-A31 WeakPolarHBondContact O-CA 3.26Å; A31-F80 HydrophobicContact CB-CB 4.22Å; A31-F80 PolarHBondContact N-O 2.88Å; A31-F80 PolarHBondContact O-N 3.14Å
32L94.3Very high84.6Confident3 Ų381.1 Ų81.12%0.01639%0.391CS..EExtended strand (participates in β ladder)trans-106.3106.2178.5-56-177.8000110.1Y4 K6 V18 F19 A21 V30 T77 L78 V79Y4-L32 HydrophobicContact CD1-CD2 4.48Å; Y4-L32 HydrophobicContact CG-CD2 4.3Å; K6-L32 HydrophobicContact CG-CD1 4.39Å; V18-L32 CarbonylContact C-O 3.58Å; V18-L32 WeakPolarHBondContact CA-O 3.34Å; F19-L32 HydrophobicContact CB-CB 4.38Å; F19-L32 PolarHBondContact N-O 3.28Å; F19-L32 PolarHBondContact O-N 2.86Å; A21-L32 HydrophobicContact CB-CD1 3.4Å; A21-L32 VanDerWaalsContact CB-CD1 3.4Å; A21-L32 HydrophobicContact CB-CD2 4.38Å; A21-L32 HydrophobicContact CB-CG 3.62Å; V30-L32 HydrophobicContact CG2-CD2 4.07Å; L32-T77 HydrophobicContact CB-CG2 3.97Å; L32-T77 HydrophobicContact CD2-CG2 4.15Å; L32-T77 HydrophobicContact CG-CG2 4.47Å; L32-L78 WeakPolarHBondContact CA-O 3.41Å; L32-V79 HydrophobicContact CD2-CB 4.24Å; L32-V79 HydrophobicContact CD2-CG1 4Å; L32-V79 HydrophobicContact CD2-CG2 3.81Å
33K91.6Very high83.5Confident18 Ų1879.9 Ų79.98%0.07840%0.398CS..EExtended strand (participates in β ladder)trans-90108.9171.2-172.6-178.9-171.7-172.10108.2V18 E51 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.37Å; V18-K33 HydrophobicContact CG2-CG 4.2Å; K33-E51 VanDerWaalsContact NZ-CD 3.27Å; K33-E51 IonicContact NZ-OE1 3.83Å; K33-E51 PolarHBondContact NZ-OE1 3.05Å; K33-E51 IonicContact NZ-OE2 2.95Å; K33-E51 PolarHBondContact NZ-OE2 3.31Å; K33-L78 HydrophobicContact CB-CB 4.23Å; K33-L78 HydrophobicContact CB-CD1 4.38Å; K33-L78 HydrophobicContact CD-CD1 4.05Å; K33-L78 HydrophobicContact CG-CD1 4.38Å; K33-L78 PolarHBondContact N-O 2.88Å; K33-L78 PolarHBondContact O-N 2.89Å; K33-F80 HydrophobicContact CB-CD2 4.11Å; K33-F80 HydrophobicContact CB-CE2 3.87Å; K33-F80 HydrophobicContact CD-CE2 4.05Å; K33-D144 IonicContact NZ-OD1 3.1Å; K33-D144 PolarHBondContact NZ-OD1 3.14Å
34R88.9Confident82.6Confident46 Ų4681.5 Ų81.517%0.17441%0.408CS..EExtended strand (participates in β ladder)trans-96.9114.3-178.3-69.4-174.261-144.6-11.2110.3M1 G16 T17 F19 T77M1-R34 VanDerWaalsContact CE-NE 3.26Å; G16-R34 VanDerWaalsContact CA-O 3.22Å; G16-R34 WeakPolarHBondContact CA-O 3.08Å; T17-R34 PolarHBondContact N-O 3.25Å; T17-R34 PolarHBondContact O-N 2.95Å; F19-R34 HydrophobicContact CD2-CG 4.36Å; F19-R34 HydrophobicContact CE2-CG 4.42Å; R34-T77 HydrophobicContact CG-CG2 3.93Å
35V84.4Confident81.8Confident5 Ų577.2 Ų77.23%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-88.9128174.1-174.70000107.9P45 A48 L76 L78V35-P45 HydrophobicContact CG1-CG 4.03Å; V35-A48 HydrophobicContact CG1-CB 4.29Å; V35-A48 HydrophobicContact CG2-CB 4.25Å; V35-L76 HydrophobicContact CB-CB 4.33Å; V35-L76 PolarHBondContact N-O 3.01Å; V35-L76 PolarHBondContact O-N 2.76Å; V35-L78 HydrophobicContact CG2-CD1 4.26Å
36R75.6Confident81.2Confident157 Ų15774.6 Ų74.659%0.59239%0.394SS*.EExtended strand (participates in β ladder)trans-73.4127170.7-68.9-174.4-119.5-169.40107.4E12E12-R36 IonicContact OE1-NH2 3.53Å; E12-R36 PolarHBondContact OE1-NH2 3.22Å
37L75.7Confident80.3Confident21 Ų2171.4 Ų71.411%0.1138%0.375CS..  trans-93.4112.4164.9-54.1179.3000103.3V44 L76L37-V44 HydrophobicContact CD1-CG2 4.34Å; L37-V44 HydrophobicContact CD2-CB 4.18Å; L37-V44 HydrophobicContact CD2-CG1 4.21Å; L37-V44 HydrophobicContact CD2-CG2 3.9Å; L37-L76 HydrophobicContact CD1-CB 4.44Å; L37-L76 HydrophobicContact CD2-CB 4.24Å; L37-L76 HydrophobicContact CG-CB 4.48Å
38D67.6Low79.7Confident117 Ų11765.7 Ų65.763%0.62635%0.349SS*.  trans-66.7150.4177.5-61.7-31.2000108.3D40D38-D40 PolarHBondContact O-N 3.37Å
39D61Low79.1Confident115 Ų11565.4 Ų65.462%0.61535%0.351SS*.SBendtrans-73.7-5.4-176.5-80.1-25.9000112.7K74D39-K74 VanDerWaalsContact OD1-CD 3.26Å; D39-K74 WeakPolarHBondContact OD1-CD 3.36Å; D39-K74 WeakPolarHBondContact OD1-CE 3.31Å; D39-K74 IonicContact OD1-NZ 2.71Å; D39-K74 PolarHBondContact OD1-NZ 2.83Å; D39-K74 IonicContact OD2-NZ 2.85Å; D39-K74 PolarHBondContact OD2-NZ 2.79Å
40D57Low78.5Confident130 Ų13066.4 Ų66.470%0.69535%0.35SS*.SBendtrans-78.7141.2174-62.5-37000109.6D38 E42D38-D40 PolarHBondContact O-N 3.37Å; D40-E42 PolarHBondContact O-N 2.97Å
41D56.8Low77.9Confident176 Ų17666.5 Ų66.594%0.94135%0.351SS*.THydrogen-bonded Turntrans-54.99.3-168.3-70-53.2000117.5G43D41-G43 VanDerWaalsContact C-N 3.31Å; D41-G43 PolarHBondContact O-N 3.43Å
42E66.6Low77.6Confident189 Ų18966.6 Ų66.688%0.88335%0.349SS*.THydrogen-bonded Turntrans-76.6-13.8179.4-64.4-161.9163.100114.1D40D40-E42 PolarHBondContact O-N 2.97Å
43G72.8Confident77.5Confident43 Ų4370.4 Ų70.444%0.44338%0.375SS..  trans69.2-14117300000114.2D41D41-G43 VanDerWaalsContact C-N 3.31Å; D41-G43 PolarHBondContact O-N 3.43Å
44V77.7Confident77.4Confident43 Ų4370.5 Ų70.526%0.26138%0.376SS..SBendtrans-76.7126.5-177.8-176.80000110.8L37 S46 A48 L49 L76L37-V44 HydrophobicContact CD1-CG2 4.34Å; L37-V44 HydrophobicContact CD2-CB 4.18Å; L37-V44 HydrophobicContact CD2-CG1 4.21Å; L37-V44 HydrophobicContact CD2-CG2 3.9Å; V44-S46 PolarHBondContact O-N 3.34Å; V44-A48 HydrophobicContact CG1-CB 4.37Å; V44-L49 HydrophobicContact CB-CD1 4.37Å; V44-L49 HydrophobicContact CB-CD2 4.44Å; V44-L49 HydrophobicContact CB-CG 4.26Å; V44-L49 HydrophobicContact CG1-CD1 4.42Å; V44-L49 HydrophobicContact CG1-CD2 3.93Å; V44-L49 HydrophobicContact CG1-CG 3.79Å; V44-L76 HydrophobicContact CG1-CD2 3.72Å
45P78.9Confident77.6Confident44 Ų4468.5 Ų68.529%0.28637%0.369SS..  trans-54.2131.6178.8-27.534.3000112.5V35 S47 A48 L49V35-P45 HydrophobicContact CG1-CG 4.03Å; P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.14Å; P45-A48 HydrophobicContact CB-CB 4.42Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 2.83Å; P45-L49 PolarHBondContact O-N 3.39Å
46S80.3Confident78Confident84 Ų8473.8 Ų73.859%0.58739%0.392SS*.Hα-helixtrans-59-28.8-178.667.70000113.4V44 R50V44-S46 PolarHBondContact O-N 3.34Å; S46-R50 VanDerWaalsContact O-CB 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.44Å; S46-R50 PolarHBondContact O-N 3.02Å
47S77.6Confident78.7Confident14 Ų1473.1 Ų73.110%0.09840%0.395CS..Hα-helixtrans-64.5-41.917351.40000112.1P45 R50 E51P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact O-N 3.21Å; S47-E51 WeakPolarHBondContact O-CB 3.35Å; S47-E51 PolarHBondContact O-N 3.43Å
48A80.8Confident79.6Confident3 Ų372.3 Ų72.33%0.02539%0.391CS..Hα-helixtrans-68.2-43.717900000111.7V35 V44 P45 R50 E51 I52 L76V35-A48 HydrophobicContact CG1-CB 4.29Å; V35-A48 HydrophobicContact CG2-CB 4.25Å; V44-A48 HydrophobicContact CG1-CB 4.37Å; P45-A48 HydrophobicContact CB-CB 4.42Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 2.83Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.84Å; A48-E51 PolarHBondContact O-N 3.32Å; A48-I52 WeakPolarHBondContact O-CD1 3.38Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.47Å; A48-L76 HydrophobicContact CB-CD2 4.26Å
49L84.3Confident81Confident89 Ų8972.8 Ų72.847%0.46639%0.387SS..Hα-helixtrans-61.6-41.9174.2-69.7177.7000111.6V44 P45 I52 C53V44-L49 HydrophobicContact CB-CD1 4.37Å; V44-L49 HydrophobicContact CB-CD2 4.44Å; V44-L49 HydrophobicContact CB-CG 4.26Å; V44-L49 HydrophobicContact CG1-CD1 4.42Å; V44-L49 HydrophobicContact CG1-CD2 3.93Å; V44-L49 HydrophobicContact CG1-CG 3.79Å; P45-L49 PolarHBondContact O-N 3.39Å; L49-I52 PolarHBondContact O-N 2.67Å; L49-C53 PolarHBondContact O-N 2.85Å; L49-C53 PolarHBondContact O-SG 3.35Å
50R83.9Confident82.8Confident83 Ų8369.3 Ų69.331%0.31337%0.368SS..Hα-helixtrans-62.4-46.6176-171.2-174.4-551378.1111.7S46 S47 A48 I52 C53 L54 A148S46-R50 VanDerWaalsContact O-CB 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.44Å; S46-R50 PolarHBondContact O-N 3.02Å; S47-R50 PolarHBondContact O-N 3.21Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.84Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.25Å; R50-C53 PolarHBondContact O-N 2.71Å; R50-L54 HydrophobicContact CG-CD1 3.98Å; R50-L54 HydrophobicContact CG-CG 4.39Å; R50-L54 WeakPolarHBondContact O-CG 3.48Å; R50-L54 PolarHBondContact O-N 2.77Å; R50-A148 WeakPolarHBondContact CD-O 3.44Å
51E84.9Confident84.7Confident5 Ų568.8 Ų68.82%0.02336%0.359CS..Hα-helixtrans-56.9-45.6176.9-175.8171.8-162.400110.7K33 S47 A48 L54 L55 F145K33-E51 VanDerWaalsContact NZ-CD 3.27Å; K33-E51 IonicContact NZ-OE1 3.83Å; K33-E51 PolarHBondContact NZ-OE1 3.05Å; K33-E51 IonicContact NZ-OE2 2.95Å; K33-E51 PolarHBondContact NZ-OE2 3.31Å; S47-E51 WeakPolarHBondContact O-CB 3.35Å; S47-E51 PolarHBondContact O-N 3.43Å; A48-E51 PolarHBondContact O-N 3.32Å; E51-L54 PolarHBondContact O-N 3.08Å; E51-L55 HydrophobicContact CG-CD1 3.6Å; E51-L55 HydrophobicContact CG-CG 4.49Å; E51-L55 VanDerWaalsContact O-CB 3.31Å; E51-L55 WeakPolarHBondContact O-CB 3.47Å; E51-L55 WeakPolarHBondContact O-CG 3.31Å; E51-L55 PolarHBondContact O-N 2.81Å; E51-F145 HydrophobicContact CG-CB 4.17Å; E51-F145 PolarHBondContact OE1-N 3.09Å
52I89.7Confident86.7Confident13 Ų1360.5 Ų60.57%0.06732%0.315CS..Hα-helixtrans-59.7-50.7175.4-67.8160.9000111.6A48 L49 R50 L54 L55 K56 L66 V69 L76 L78A48-I52 WeakPolarHBondContact O-CD1 3.38Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.47Å; L49-I52 PolarHBondContact O-N 2.67Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.25Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.25Å; I52-L55 PolarHBondContact O-N 2.84Å; I52-K56 HydrophobicContact CG2-CD 4.12Å; I52-K56 HydrophobicContact CG2-CG 4.41Å; I52-K56 WeakPolarHBondContact O-CB 3.49Å; I52-K56 WeakPolarHBondContact O-CG 3.24Å; I52-K56 PolarHBondContact O-N 2.77Å; I52-L66 HydrophobicContact CG2-CD2 4.36Å; I52-V69 HydrophobicContact CD1-CG1 3.86Å; I52-V69 HydrophobicContact CD1-CG2 4.32Å; I52-V69 HydrophobicContact CG1-CG2 4.1Å; I52-V69 HydrophobicContact CG2-CG2 4.02Å; I52-L76 HydrophobicContact CD1-CD2 3.92Å; I52-L78 HydrophobicContact CD1-CD2 3.68Å; I52-L78 HydrophobicContact CG1-CD2 3.28Å
53C90.5Very high88.2Confident83 Ų8351.6 Ų51.656%0.56127%0.273SS*.Hα-helixtrans-61.7-42.8-176.9-71.50000111.7L49 R50L49-C53 PolarHBondContact O-N 2.85Å; L49-C53 PolarHBondContact O-SG 3.35Å; R50-C53 PolarHBondContact O-N 2.71Å
54L91.5Very high89.3Confident20 Ų2049.9 Ų49.911%0.10525%0.254CS..Hα-helixtrans-66.9-48.7177.4-66.9174.3000111.2R50 E51 I52 K56 E57 L58 V122 A148R50-L54 HydrophobicContact CG-CD1 3.98Å; R50-L54 HydrophobicContact CG-CG 4.39Å; R50-L54 WeakPolarHBondContact O-CG 3.48Å; R50-L54 PolarHBondContact O-N 2.77Å; E51-L54 PolarHBondContact O-N 3.08Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.25Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.43Å; L54-E57 PolarHBondContact O-N 3.03Å; L54-E57 VanDerWaalsContact O-N 3.09Å; L54-L58 HydrophobicContact CB-CD1 4.39Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.28Å; L54-V122 HydrophobicContact CD1-CG1 4.29Å; L54-V122 HydrophobicContact CD2-CG1 4.19Å; L54-V122 HydrophobicContact CD2-CG2 3.87Å; L54-A148 HydrophobicContact CD1-CB 3.62Å
55L92.7Very high90.2Very high4 Ų452.2 Ų52.22%0.02126%0.258CS..Hα-helixtrans-69.8-22.5-176-72.2170.5000113.8E51 I52 E57 I63 L66 F80 F145E51-L55 HydrophobicContact CG-CD1 3.6Å; E51-L55 HydrophobicContact CG-CG 4.49Å; E51-L55 VanDerWaalsContact O-CB 3.31Å; E51-L55 WeakPolarHBondContact O-CB 3.47Å; E51-L55 WeakPolarHBondContact O-CG 3.31Å; E51-L55 PolarHBondContact O-N 2.81Å; I52-L55 PolarHBondContact O-N 2.84Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-I63 HydrophobicContact CD2-CG2 4.03Å; L55-L66 HydrophobicContact CB-CB 4.01Å; L55-L66 HydrophobicContact CB-CD2 4.09Å; L55-F80 HydrophobicContact CD1-CE1 3.59Å; L55-F80 HydrophobicContact CD1-CZ 3.88Å; L55-F145 HydrophobicContact CD1-CB 4.33Å; L55-F145 HydrophobicContact CD1-CD2 4.5Å; L55-F145 HydrophobicContact CD2-CB 4.45Å; L55-F145 HydrophobicContact CD2-CD2 3.65Å; L55-F145 HydrophobicContact CD2-CE2 3.96Å; L55-F145 HydrophobicContact CD2-CG 3.98Å; L55-F145 HydrophobicContact CG-CB 4.27Å; L55-F145 HydrophobicContact CG-CD2 4.35Å; L55-F145 HydrophobicContact CG-CG 4.33Å
56K91.6Very high91Very high117 Ų11750.9 Ų50.951%0.50925%0.249SC..Hα-helixtrans-63.7-35.6170-82.7-177.2174.2-174.30112.6I52 L54 K59I52-K56 HydrophobicContact CG2-CD 4.12Å; I52-K56 HydrophobicContact CG2-CG 4.41Å; I52-K56 WeakPolarHBondContact O-CB 3.49Å; I52-K56 WeakPolarHBondContact O-CG 3.24Å; I52-K56 PolarHBondContact O-N 2.77Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.43Å; K56-K59 WeakPolarHBondContact O-CE 3.41Å
57E91.6Very high91.6Very high142 Ų14250.8 Ų50.866%0.66424%0.239SC*.Hα-helixtrans-89.2-27.2179.8-61.1-53.2129.400112.6L54 L55 K59L54-E57 PolarHBondContact O-N 3.03Å; L54-E57 VanDerWaalsContact O-N 3.09Å; L55-E57 VanDerWaalsContact C-N 3.3Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-K59 PolarHBondContact O-N 3.25Å
58L94.9Very high92.2Very high4 Ų452.9 Ų52.92%0.02125%0.249CC..  trans-83.771-176.3-68.1175.3000113.3L54 H60 I63 F116 R120 V122 F145L54-L58 HydrophobicContact CB-CD1 4.39Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.28Å; L58-H60 PolarHBondContact O-N 3.07Å; L58-I63 HydrophobicContact CB-CD1 4.09Å; L58-I63 HydrophobicContact CB-CG2 4.32Å; L58-I63 HydrophobicContact CD2-CD1 4.39Å; L58-F116 HydrophobicContact CD2-CD1 4.06Å; L58-F116 HydrophobicContact CD2-CE1 4Å; L58-R120 HydrophobicContact CD2-CB 4.04Å; L58-R120 HydrophobicContact CD2-CG 4.34Å; L58-V122 HydrophobicContact CD1-CB 4.44Å; L58-V122 HydrophobicContact CD1-CG1 4.15Å; L58-V122 HydrophobicContact CD1-CG2 4.32Å; L58-V122 HydrophobicContact CD2-CG2 4.17Å; L58-F145 HydrophobicContact CD1-CD1 3.79Å; L58-F145 HydrophobicContact CD1-CE1 3.38Å; L58-F145 HydrophobicContact CD1-CZ 4.09Å
59K96.8Very high92.8Very high127 Ų12754.7 Ų54.755%0.55226%0.259SS*.  trans-92.990.6-179.7-56.2-169177.9168.60111.8K56 E57K56-K59 WeakPolarHBondContact O-CE 3.41Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-K59 PolarHBondContact O-N 3.25Å
60H97.8Very high93.1Very high43 Ų4352.7 Ų52.720%0.19925%0.249CC..  trans-145.6149.6179.3-175-97.8000112L58 N62 I63 F116L58-H60 PolarHBondContact O-N 3.07Å; H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 3.3Å; H60-N62 VanDerWaalsContact CE1-OD1 3.26Å; H60-N62 PolarHBondContact ND1-N 3.37Å; H60-N62 VanDerWaalsContact ND1-N 3.13Å; H60-N62 PolarHBondContact O-N 3.16Å; H60-I63 HydrophobicContact CB-CB 4.4Å; H60-I63 HydrophobicContact CB-CD1 3.94Å; H60-I63 HydrophobicContact CB-CG1 4.1Å; H60-I63 PolarHBondContact O-N 3.49Å; H60-I63 VanDerWaalsContact O-N 3.08Å; H60-F116 HydrophobicContact CB-CB 4.33Å; H60-F116 HydrophobicContact CB-CD1 3.67Å; H60-F116 HydrophobicContact CB-CD2 4.25Å; H60-F116 HydrophobicContact CB-CE1 3.96Å; H60-F116 HydrophobicContact CB-CG 3.81Å; H60-F116 HydrophobicContact CB-CZ 4.37Å; H60-F116 AromaticContact CD2-CD2 3.83Å; H60-F116 AromaticContact CD2-CG 3.92Å; H60-F116 AromaticContact CG-CG 3.91Å
61K97.1Very high93.2Very high118 Ų11854.7 Ų54.751%0.51326%0.262SS..THydrogen-bonded Turntrans-61.5-31.8-175.667.9174.2-172.9164.50114K141K61-K141 WeakPolarHBondContact O-CG 3.5Å; K61-K141 PolarHBondContact O-NZ 2.87Å
62N98.1Very high93.1Very high2 Ų257.1 Ų57.11%0.01128%0.279CS..THydrogen-bonded Turntrans-95.621.3177.8-55.9109.6000113.4H60 Q109 L140 K141 L142H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 3.3Å; H60-N62 VanDerWaalsContact CE1-OD1 3.26Å; H60-N62 PolarHBondContact ND1-N 3.37Å; H60-N62 VanDerWaalsContact ND1-N 3.13Å; H60-N62 PolarHBondContact O-N 3.16Å; N62-Q109 VanDerWaalsContact CB-O 3.31Å; N62-Q109 WeakPolarHBondContact CB-O 3.4Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.06Å; N62-Q109 PolarHBondContact ND2-OE1 3.08Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.13Å; N62-L140 WeakPolarHBondContact CA-O 3.45Å; N62-L140 WeakPolarHBondContact CB-O 3.5Å; N62-L140 PolarHBondContact ND2-O 3.41Å; N62-K141 WeakPolarHBondContact O-CA 3.23Å; N62-L142 PolarHBondContact O-N 3.07Å
63I98.1Very high92.4Very high2 Ų264.1 Ų64.11%0.0132%0.317CS..BIsolated β-bridgetrans-128.1134.7171.1-60.5176.3000107.2L55 L58 H60 R65 F116 C117 L142 F145L55-I63 HydrophobicContact CD2-CG2 4.03Å; L58-I63 HydrophobicContact CB-CD1 4.09Å; L58-I63 HydrophobicContact CB-CG2 4.32Å; L58-I63 HydrophobicContact CD2-CD1 4.39Å; H60-I63 HydrophobicContact CB-CB 4.4Å; H60-I63 HydrophobicContact CB-CD1 3.94Å; H60-I63 HydrophobicContact CB-CG1 4.1Å; H60-I63 PolarHBondContact O-N 3.49Å; H60-I63 VanDerWaalsContact O-N 3.08Å; I63-R65 PolarHBondContact O-N 3.44Å; I63-F116 HydrophobicContact CD1-CD1 3.71Å; I63-F116 HydrophobicContact CD1-CE1 4.46Å; I63-C117 WeakPolarHBondContact CD1-SG 3.47Å; I63-L142 HydrophobicContact CG1-CB 4.38Å; I63-L142 HydrophobicContact CG1-CD1 4.34Å; I63-F145 HydrophobicContact CG2-CE2 3.83Å; I63-F145 HydrophobicContact CG2-CZ 3.8Å
64V96.5Very high91.9Very high7 Ų765.7 Ų65.74%0.04231%0.314CS..  trans-58.4128.3-17970.90000110.6L66 F80 E81 L133 L142 A143V64-L66 PolarHBondContact O-N 3.37Å; V64-F80 HydrophobicContact CG1-CD1 4.2Å; V64-F80 HydrophobicContact CG1-CE1 4.35Å; V64-F80 HydrophobicContact CG2-CB 4.27Å; V64-F80 HydrophobicContact CG2-CD1 4.13Å; V64-E81 WeakPolarHBondContact CA-OE1 3.35Å; V64-E81 HydrophobicContact CG2-CG 3.78Å; V64-L133 HydrophobicContact CG2-CD1 4.09Å; V64-L142 WeakPolarHBondContact CB-O 3.41Å; V64-L142 WeakPolarHBondContact CG1-O 3.36Å; V64-L142 PolarHBondContact N-O 3.25Å; V64-A143 HydrophobicContact CB-CB 4.19Å; V64-A143 HydrophobicContact CG1-CB 3.88Å
65R96.5Very high91.5Very high93 Ų9369.4 Ų69.435%0.35133%0.329SS..  trans-79.7119.5-177.1-174.456.1170.5-143.2-4.8111.2I63 F80 E81I63-R65 PolarHBondContact O-N 3.44Å; R65-F80 CarbonylContact O-C 3.56Å; R65-F80 VanDerWaalsContact O-CA 3.24Å; R65-F80 WeakPolarHBondContact O-CA 3.23Å; R65-E81 HydrophobicContact CB-CB 4.19Å; R65-E81 HydrophobicContact CB-CG 4Å; R65-E81 WeakPolarHBondContact CB-OE1 3.09Å; R65-E81 PolarHBondContact N-OE1 3.13Å; R65-E81 PolarHBondContact O-N 2.93Å
66L95.2Very high91.3Very high16 Ų1669.6 Ų69.68%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-78.9113.7161.1-176.865.8000108.9I52 L55 V64 V69 L78 F80I52-L66 HydrophobicContact CG2-CD2 4.36Å; L55-L66 HydrophobicContact CB-CB 4.01Å; L55-L66 HydrophobicContact CB-CD2 4.09Å; V64-L66 PolarHBondContact O-N 3.37Å; L66-V69 HydrophobicContact CD1-CG2 4.26Å; L66-V69 HydrophobicContact CD2-CG2 3.97Å; L66-V69 HydrophobicContact CG-CG2 4.39Å; L66-L78 HydrophobicContact CD1-CB 4.03Å; L66-L78 HydrophobicContact CD1-CD2 4.1Å; L66-F80 HydrophobicContact CB-CD1 4.14Å; L66-F80 HydrophobicContact CB-CE1 3.81Å; L66-F80 HydrophobicContact CD1-CD1 4.05Å; L66-F80 HydrophobicContact CD1-CE1 3.61Å; L66-F80 HydrophobicContact CD1-CE2 4.31Å; L66-F80 HydrophobicContact CD1-CZ 3.78Å; L66-F80 HydrophobicContact CG-CE1 4.27Å
67H93.7Very high91.3Very high82 Ų8264.3 Ų64.338%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-85.2-44.9177.3-66.4-66.8000112.3V79 F80 E81H67-V79 HydrophobicContact CB-CG1 4.41Å; H67-V79 PolarHBondContact N-O 2.87Å; H67-F80 VanDerWaalsContact CD2-C 3.48Å; H67-E81 PolarHBondContact CD2-N 2.85Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 WeakPolarHBondContact NE2-CA 3.02Å; H67-E81 WeakPolarHBondContact NE2-CB 3.39Å; H67-E81 PolarHBondContact NE2-N 3.26Å
68D90.9Very high91.3Very high57 Ų5757.5 Ų57.531%0.30528%0.276SS..EExtended strand (participates in β ladder)trans-154.7159.5-170.2-156.9-3.4000111.5V79D68-V79 HydrophobicContact CB-CB 3.93Å; D68-V79 HydrophobicContact CB-CG2 3.97Å; D68-V79 PolarHBondContact N-O 2.95Å; D68-V79 PolarHBondContact O-N 3.34Å
69V92.5Very high91.3Very high41 Ų4157.3 Ų57.325%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-130.9112.1174.9-176.20000108.3I52 L66 L76 L78I52-V69 HydrophobicContact CD1-CG1 3.86Å; I52-V69 HydrophobicContact CD1-CG2 4.32Å; I52-V69 HydrophobicContact CG1-CG2 4.1Å; I52-V69 HydrophobicContact CG2-CG2 4.02Å; L66-V69 HydrophobicContact CD1-CG2 4.26Å; L66-V69 HydrophobicContact CD2-CG2 3.97Å; L66-V69 HydrophobicContact CG-CG2 4.39Å; V69-L76 HydrophobicContact CG1-CD1 3.76Å; V69-L76 HydrophobicContact CG1-CG 4.34Å; V69-L78 HydrophobicContact CG1-CD2 4.23Å; V69-L78 HydrophobicContact CG2-CD2 4.01Å
70L91.1Very high91.2Very high48 Ų4851.9 Ų51.925%0.25125%0.251SS..EExtended strand (participates in β ladder)trans-99.3124.9179.3-48.8173.8000109.5Y4 T77 V79Y4-L70 HydrophobicContact CD2-CD1 3.66Å; Y4-L70 HydrophobicContact CE2-CD1 3.6Å; Y4-L70 HydrophobicContact CE2-CD2 4.41Å; Y4-L70 HydrophobicContact CE2-CG 4.42Å; L70-T77 PolarHBondContact N-O 2.86Å; L70-T77 PolarHBondContact O-N 2.88Å; L70-V79 HydrophobicContact CD1-CG2 4.08Å; L70-V79 HydrophobicContact CG-CG2 4.09Å
71H86.1Confident91.1Very high125 Ų12551.5 Ų51.558%0.57925%0.25SC*.EExtended strand (participates in β ladder)trans-106.6134.5170.9-173.563.3000109.9L76H71-L76 HydrophobicContact CB-CD1 4.2Å
72S82Confident91.1Very high56 Ų5647.9 Ų47.939%0.39223%0.234SC..EExtended strand (participates in β ladder)trans-141.1155.8170.955.60000107.5K74 K75S72-K74 VanDerWaalsContact C-N 3.25Å; S72-K74 PolarHBondContact O-N 2.81Å; S72-K75 PolarHBondContact N-O 2.85Å; S72-K75 CarbonylContact O-C 3.51Å; S72-K75 PolarHBondContact O-N 3.33Å; S72-K75 PolarHBondContact OG-O 2.93Å; S72-K75 VanDerWaalsContact OG-O 3.05Å
73D75.4Confident91Very high160 Ų16048.4 Ų48.486%0.85624%0.238SC*.THydrogen-bonded Turntrans-35.1-49-162.8-54.8-14.1000115.8
74K79.1Confident90.8Very high116 Ų11650.9 Ų50.950%0.50425%0.251SS..THydrogen-bonded Turntrans-115.99-177.9-60.8-169.5168.9-155.20115.2D39 S72D39-K74 VanDerWaalsContact OD1-CD 3.26Å; D39-K74 WeakPolarHBondContact OD1-CD 3.36Å; D39-K74 WeakPolarHBondContact OD1-CE 3.31Å; D39-K74 IonicContact OD1-NZ 2.71Å; D39-K74 PolarHBondContact OD1-NZ 2.83Å; D39-K74 IonicContact OD2-NZ 2.85Å; D39-K74 PolarHBondContact OD2-NZ 2.79Å; S72-K74 VanDerWaalsContact C-N 3.25Å; S72-K74 PolarHBondContact O-N 2.81Å
75K83Confident90.7Very high97 Ų9753.2 Ų53.242%0.42226%0.262SS..EExtended strand (participates in β ladder)trans-145.2122.3-167.6-73.6151.1-174.8178.10111.4S72S72-K75 PolarHBondContact N-O 2.85Å; S72-K75 CarbonylContact O-C 3.51Å; S72-K75 PolarHBondContact O-N 3.33Å; S72-K75 PolarHBondContact OG-O 2.93Å; S72-K75 VanDerWaalsContact OG-O 3.05Å
76L88.8Confident90.7Very high9 Ų950.1 Ų50.15%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-96.2129.9165.2-167.971000109.5V35 L37 V44 A48 I52 V69 H71V35-L76 HydrophobicContact CB-CB 4.33Å; V35-L76 PolarHBondContact N-O 3.01Å; V35-L76 PolarHBondContact O-N 2.76Å; L37-L76 HydrophobicContact CD1-CB 4.44Å; L37-L76 HydrophobicContact CD2-CB 4.24Å; L37-L76 HydrophobicContact CG-CB 4.48Å; V44-L76 HydrophobicContact CG1-CD2 3.72Å; A48-L76 HydrophobicContact CB-CD2 4.26Å; I52-L76 HydrophobicContact CD1-CD2 3.92Å; V69-L76 HydrophobicContact CG1-CD1 3.76Å; V69-L76 HydrophobicContact CG1-CG 4.34Å; H71-L76 HydrophobicContact CB-CD1 4.2Å
77T91.3Very high90.7Very high5 Ų549.3 Ų49.33%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-124.7117.1178.6-53.60000109.9L32 R34 L70L32-T77 HydrophobicContact CB-CG2 3.97Å; L32-T77 HydrophobicContact CD2-CG2 4.15Å; L32-T77 HydrophobicContact CG-CG2 4.47Å; R34-T77 HydrophobicContact CG-CG2 3.93Å; L70-T77 PolarHBondContact N-O 2.86Å; L70-T77 PolarHBondContact O-N 2.88Å
78L92.4Very high90.8Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-89.4127.8173.8-56.9160.5000108.4L32 K33 V35 I52 L66 V69 F80L32-L78 WeakPolarHBondContact CA-O 3.41Å; K33-L78 HydrophobicContact CB-CB 4.23Å; K33-L78 HydrophobicContact CB-CD1 4.38Å; K33-L78 HydrophobicContact CD-CD1 4.05Å; K33-L78 HydrophobicContact CG-CD1 4.38Å; K33-L78 PolarHBondContact N-O 2.88Å; K33-L78 PolarHBondContact O-N 2.89Å; V35-L78 HydrophobicContact CG2-CD1 4.26Å; I52-L78 HydrophobicContact CD1-CD2 3.68Å; I52-L78 HydrophobicContact CG1-CD2 3.28Å; L66-L78 HydrophobicContact CD1-CB 4.03Å; L66-L78 HydrophobicContact CD1-CD2 4.1Å; V69-L78 HydrophobicContact CG1-CD2 4.23Å; V69-L78 HydrophobicContact CG2-CD2 4.01Å; L78-F80 HydrophobicContact CB-CD2 4.01Å; L78-F80 HydrophobicContact CB-CE2 3.36Å; L78-F80 HydrophobicContact CB-CZ 3.94Å; L78-F80 HydrophobicContact CD1-CE2 3.98Å; L78-F80 HydrophobicContact CD1-CZ 4.2Å; L78-F80 HydrophobicContact CG-CE2 4.25Å
79V94.7Very high90.9Very high0 Ų050.3 Ų50.30%025%0.248CC..EExtended strand (participates in β ladder)trans-102.8110.4179.1-171.70000108.6Y4 V30 L32 H67 D68 L70Y4-V79 HydrophobicContact CE1-CG1 3.88Å; Y4-V79 HydrophobicContact CE2-CG2 3.94Å; V30-V79 HydrophobicContact CB-CG1 3.96Å; V30-V79 HydrophobicContact CG1-CG1 4.18Å; V30-V79 HydrophobicContact CG2-CG1 3.99Å; L32-V79 HydrophobicContact CD2-CB 4.24Å; L32-V79 HydrophobicContact CD2-CG1 4Å; L32-V79 HydrophobicContact CD2-CG2 3.81Å; H67-V79 HydrophobicContact CB-CG1 4.41Å; H67-V79 PolarHBondContact N-O 2.87Å; D68-V79 HydrophobicContact CB-CB 3.93Å; D68-V79 HydrophobicContact CB-CG2 3.97Å; D68-V79 PolarHBondContact N-O 2.95Å; D68-V79 PolarHBondContact O-N 3.34Å; L70-V79 HydrophobicContact CD1-CG2 4.08Å; L70-V79 HydrophobicContact CG-CG2 4.09Å
80F95.5Very high91.1Very high13 Ų1350.6 Ų50.66%0.05725%0.245CC..EExtended strand (participates in β ladder)trans-107.3158.8-179.8-69.2-75.4000111.8V30 A31 K33 L55 V64 R65 L66 H67 L78V30-F80 WeakPolarHBondContact CA-O 3.21Å; V30-F80 WeakPolarHBondContact CB-O 3.08Å; A31-F80 HydrophobicContact CB-CB 4.22Å; A31-F80 PolarHBondContact N-O 2.88Å; A31-F80 PolarHBondContact O-N 3.14Å; K33-F80 HydrophobicContact CB-CD2 4.11Å; K33-F80 HydrophobicContact CB-CE2 3.87Å; K33-F80 HydrophobicContact CD-CE2 4.05Å; L55-F80 HydrophobicContact CD1-CE1 3.59Å; L55-F80 HydrophobicContact CD1-CZ 3.88Å; V64-F80 HydrophobicContact CG1-CD1 4.2Å; V64-F80 HydrophobicContact CG1-CE1 4.35Å; V64-F80 HydrophobicContact CG2-CB 4.27Å; V64-F80 HydrophobicContact CG2-CD1 4.13Å; R65-F80 CarbonylContact O-C 3.56Å; R65-F80 VanDerWaalsContact O-CA 3.24Å; R65-F80 WeakPolarHBondContact O-CA 3.23Å; L66-F80 HydrophobicContact CB-CD1 4.14Å; L66-F80 HydrophobicContact CB-CE1 3.81Å; L66-F80 HydrophobicContact CD1-CD1 4.05Å; L66-F80 HydrophobicContact CD1-CE1 3.61Å; L66-F80 HydrophobicContact CD1-CE2 4.31Å; L66-F80 HydrophobicContact CD1-CZ 3.78Å; L66-F80 HydrophobicContact CG-CE1 4.27Å; H67-F80 VanDerWaalsContact CD2-C 3.48Å; L78-F80 HydrophobicContact CB-CD2 4.01Å; L78-F80 HydrophobicContact CB-CE2 3.36Å; L78-F80 HydrophobicContact CB-CZ 3.94Å; L78-F80 HydrophobicContact CD1-CE2 3.98Å; L78-F80 HydrophobicContact CD1-CZ 4.2Å; L78-F80 HydrophobicContact CG-CE2 4.25Å
81E95.5Very high91.2Very high35 Ų3548.4 Ų48.416%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-57145.1162.667.9-179.5137.300109.9V64 R65 H67 K141V64-E81 WeakPolarHBondContact CA-OE1 3.35Å; V64-E81 HydrophobicContact CG2-CG 3.78Å; R65-E81 HydrophobicContact CB-CB 4.19Å; R65-E81 HydrophobicContact CB-CG 4Å; R65-E81 WeakPolarHBondContact CB-OE1 3.09Å; R65-E81 PolarHBondContact N-OE1 3.13Å; R65-E81 PolarHBondContact O-N 2.93Å; H67-E81 PolarHBondContact CD2-N 2.85Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 WeakPolarHBondContact NE2-CA 3.02Å; H67-E81 WeakPolarHBondContact NE2-CB 3.39Å; H67-E81 PolarHBondContact NE2-N 3.26Å; E81-K141 WeakPolarHBondContact OE1-CD 3.33Å; E81-K141 WeakPolarHBondContact OE1-CE 3.38Å; E81-K141 IonicContact OE1-NZ 2.8Å; E81-K141 PolarHBondContact OE1-NZ 2.88Å; E81-K141 WeakPolarHBondContact OE2-CE 3.31Å; E81-K141 IonicContact OE2-NZ 3.31Å; E81-K141 PolarHBondContact OE2-NZ 2.71Å
82F96.3Very high91.5Very high41 Ų4147.3 Ų47.318%0.1823%0.232CC..  trans-85.8133.2176.2177.7-99.1000110.7I10 K20 I29I10-F82 HydrophobicContact CD1-CD2 4.01Å; I10-F82 HydrophobicContact CD1-CE2 3.61Å; I10-F82 HydrophobicContact CG1-CE2 4.47Å; K20-F82 HydrophobicContact CB-CE2 4.3Å; K20-F82 HydrophobicContact CD-CD2 4.39Å; K20-F82 HydrophobicContact CD-CE2 3.79Å; K20-F82 HydrophobicContact CD-CZ 3.95Å; K20-F82 HydrophobicContact CG-CD2 3.89Å; K20-F82 HydrophobicContact CG-CE2 3.73Å; K20-F82 HydrophobicContact CG-CZ 4.34Å; I29-F82 HydrophobicContact CG2-CB 3.85Å; I29-F82 HydrophobicContact CG2-CD1 3.84Å; I29-F82 HydrophobicContact CG2-CD2 4.28Å; I29-F82 HydrophobicContact CG2-CG 3.71Å
83C95.9Very high92.1Very high13 Ų1348.6 Ų48.69%0.08824%0.241CC..  trans-118147167.2-62.70000108.9L133C83-L133 HydrophobicContact CB-CB 3.62Å; C83-L133 HydrophobicContact CB-CD1 4.12Å; C83-L133 HydrophobicContact CB-CG 4.38Å
84D94.5Very high92.9Very high55 Ų5542.6 Ų42.629%0.29421%0.211SC..SBendtrans-70.1-38.3-171.1-63.6-88.5000113.2I134 N135 R136D84-I134 PolarHBondContact N-O 3.36Å; D84-N135 VanDerWaalsContact OD2-CA 3.31Å; D84-N135 WeakPolarHBondContact OD2-CA 3.42Å; D84-R136 IonicContact OD1-CZ 2.86Å; D84-R136 IonicContact OD1-NE 2.95Å; D84-R136 PolarHBondContact OD1-NE 3.14Å; D84-R136 IonicContact OD1-NH2 2.78Å; D84-R136 WeakPolarHBondContact OD2-CG 3.44Å; D84-R136 PolarHBondContact OD2-N 2.69Å; D84-R136 IonicContact OD2-NE 3.71Å
85Q94.9Very high93.4Very high56 Ų5644.2 Ų44.226%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-154.8166.6-178.861.4-172.3-43.500112.2K89 Y90 I134Q85-K89 HydrophobicContact CB-CB 4.27Å; Q85-Y90 HydrophobicContact CG-CD2 4.46Å; Q85-I134 HydrophobicContact CG-CB 4.44Å; Q85-I134 PolarHBondContact N-O 3.4Å; Q85-I134 PolarHBondContact O-N 3.4Å
86D95.7Very high93.6Very high27 Ų2739.8 Ų39.814%0.14421%0.207CC..EExtended strand (participates in β ladder)trans-91.9162.6166.459.571.7000110.8K88 K89 Y90 L132 L133D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 WeakPolarHBondContact OD1-CA 3.31Å; D86-K88 VanDerWaalsContact OD1-CB 3.3Å; D86-K88 WeakPolarHBondContact OD1-CB 3.44Å; D86-K88 PolarHBondContact OD1-N 2.89Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å; D86-K89 PolarHBondContact O-N 3.36Å; D86-K89 PolarHBondContact OD1-N 3.41Å; D86-K89 WeakPolarHBondContact OD2-CD 3.39Å; D86-K89 WeakPolarHBondContact OD2-CE 3.49Å; D86-K89 IonicContact OD2-NZ 3.63Å; D86-Y90 PolarHBondContact O-N 3.15Å; D86-L132 CarbonylContact C-O 3.42Å; D86-L132 VanDerWaalsContact CA-O 3.27Å; D86-L132 WeakPolarHBondContact CA-O 3.31Å; D86-L133 HydrophobicContact CB-CD2 4.11Å
87L96.6Very high93.8Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-63.3-27.6-178.5178.566.3000111.8Y90 F91 F106 P129 L132 I134 I191 L195L87-Y90 HydrophobicContact CD1-CD1 4.4Å; L87-Y90 WeakPolarHBondContact O-CB 3.45Å; L87-Y90 PolarHBondContact O-N 3.41Å; L87-F91 HydrophobicContact CD1-CE1 4.17Å; L87-F91 HydrophobicContact CD1-CE2 4.37Å; L87-F91 HydrophobicContact CD1-CZ 4.02Å; L87-F91 HydrophobicContact CD2-CE2 4.17Å; L87-F91 HydrophobicContact CD2-CZ 4.06Å; L87-F91 HydrophobicContact CG-CD2 4.37Å; L87-F91 HydrophobicContact CG-CE2 3.85Å; L87-F91 HydrophobicContact CG-CZ 3.91Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.41Å; L87-F91 WeakPolarHBondContact O-CG 3.41Å; L87-F91 PolarHBondContact O-N 3.44Å; L87-F106 HydrophobicContact CD1-CD2 4.02Å; L87-F106 HydrophobicContact CD1-CE2 4.17Å; L87-P129 HydrophobicContact CB-CB 4.08Å; L87-P129 WeakPolarHBondContact CB-O 3.34Å; L87-P129 HydrophobicContact CD2-CB 4.16Å; L87-P129 HydrophobicContact CG-CB 4.12Å; L87-P129 PolarHBondContact N-O 2.76Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.4Å; L87-L132 HydrophobicContact CD2-CD1 3.76Å; L87-L132 PolarHBondContact N-O 2.76Å; L87-I134 HydrophobicContact CB-CD1 3.98Å; L87-I134 HydrophobicContact CD1-CD1 3.62Å; L87-I134 HydrophobicContact CG-CD1 4.41Å; L87-I191 HydrophobicContact CD2-CG2 3.92Å; L87-L195 HydrophobicContact CD1-CD2 3.78Å; L87-L195 HydrophobicContact CD2-CD2 4.07Å
88K94.7Very high93.9Very high65 Ų6544.8 Ų44.828%0.28323%0.234SC..Hα-helixtrans-66.7-47.2176.3179.756.5-171.7130.80111.1D86 Y90 F91 D92 P129 Q130D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 WeakPolarHBondContact OD1-CA 3.31Å; D86-K88 VanDerWaalsContact OD1-CB 3.3Å; D86-K88 WeakPolarHBondContact OD1-CB 3.44Å; D86-K88 PolarHBondContact OD1-N 2.89Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 PolarHBondContact O-N 2.8Å; K88-F91 WeakPolarHBondContact O-CB 3.31Å; K88-F91 PolarHBondContact O-N 3.49Å; K88-D92 IonicContact NZ-OD1 2.63Å; K88-D92 PolarHBondContact NZ-OD1 3.42Å; K88-D92 IonicContact NZ-OD2 3.27Å; K88-D92 PolarHBondContact O-N 2.9Å; K88-P129 HydrophobicContact CB-CB 4Å; K88-P129 PolarHBondContact N-O 3.17Å; K88-Q130 HydrophobicContact CB-CG 4.02Å; K88-Q130 HydrophobicContact CG-CG 4.42Å
89K93.9Very high93.9Very high95 Ų9549 Ų4941%0.41326%0.256SS..Hα-helixtrans-63.6-36.4173.1-72.5179.5-174.7172.50111.9Q85 D86 F91 D92 S93Q85-K89 HydrophobicContact CB-CB 4.27Å; D86-K89 PolarHBondContact O-N 3.36Å; D86-K89 PolarHBondContact OD1-N 3.41Å; D86-K89 WeakPolarHBondContact OD2-CD 3.39Å; D86-K89 WeakPolarHBondContact OD2-CE 3.49Å; D86-K89 IonicContact OD2-NZ 3.63Å; K89-F91 PolarHBondContact O-N 2.84Å; K89-D92 PolarHBondContact O-N 3.26Å; K89-D92 VanDerWaalsContact O-N 3.16Å; K89-S93 PolarHBondContact O-N 3.01Å
90Y95.4Very high93.8Very high46 Ų4651.9 Ų51.918%0.1828%0.275CS..Hα-helixtrans-58.3-48.4175.3-170-87.1000111.1Q85 D86 L87 K88 D92 S93 C94 L98 F106 I134Q85-Y90 HydrophobicContact CG-CD2 4.46Å; D86-Y90 PolarHBondContact O-N 3.15Å; L87-Y90 HydrophobicContact CD1-CD1 4.4Å; L87-Y90 WeakPolarHBondContact O-CB 3.45Å; L87-Y90 PolarHBondContact O-N 3.41Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 PolarHBondContact O-N 2.8Å; Y90-D92 VanDerWaalsContact C-N 3.31Å; Y90-D92 PolarHBondContact O-N 3.13Å; Y90-S93 PolarHBondContact O-N 2.89Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 2.82Å; Y90-C94 PolarHBondContact O-N 2.91Å; Y90-C94 VanDerWaalsContact O-N 3.09Å; Y90-C94 PolarHBondContact O-SG 2.95Å; Y90-L98 HydrophobicContact CD1-CD2 4.36Å; Y90-L98 HydrophobicContact CE1-CD2 4Å; Y90-L98 HydrophobicContact CE1-CG 4.05Å; Y90-F106 HydrophobicContact CD1-CE2 4.07Å; Y90-F106 AromaticContact CE1-CE2 3.79Å; Y90-F106 HydrophobicContact CE1-CE2 3.79Å; Y90-F106 HydrophobicContact CE1-CZ 4.3Å; Y90-F106 HydrophobicContact CE2-CZ 4.34Å; Y90-I134 HydrophobicContact CD1-CD1 4.37Å; Y90-I134 HydrophobicContact CD2-CD1 3.93Å; Y90-I134 HydrophobicContact CD2-CG2 4.37Å; Y90-I134 HydrophobicContact CG-CD1 3.76Å
91F94.3Very high93.7Very high2 Ų255.8 Ų55.81%0.00929%0.294CS..Hα-helixtrans-53.9-46.8173.2-69.8-44.5000112.4L87 K88 K89 S93 C94 N95 G96 L98 P129 E194 L195L87-F91 HydrophobicContact CD1-CE1 4.17Å; L87-F91 HydrophobicContact CD1-CE2 4.37Å; L87-F91 HydrophobicContact CD1-CZ 4.02Å; L87-F91 HydrophobicContact CD2-CE2 4.17Å; L87-F91 HydrophobicContact CD2-CZ 4.06Å; L87-F91 HydrophobicContact CG-CD2 4.37Å; L87-F91 HydrophobicContact CG-CE2 3.85Å; L87-F91 HydrophobicContact CG-CZ 3.91Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.41Å; L87-F91 WeakPolarHBondContact O-CG 3.41Å; L87-F91 PolarHBondContact O-N 3.44Å; K88-F91 WeakPolarHBondContact O-CB 3.31Å; K88-F91 PolarHBondContact O-N 3.49Å; K89-F91 PolarHBondContact O-N 2.84Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 2.91Å; F91-C94 PolarHBondContact O-N 2.93Å; F91-N95 PolarHBondContact O-N 3.36Å; F91-N95 VanDerWaalsContact O-N 3.15Å; F91-G96 PolarHBondContact O-N 2.92Å; F91-L98 HydrophobicContact CD1-CD1 3.68Å; F91-L98 HydrophobicContact CE1-CD1 3.83Å; F91-L98 HydrophobicContact CE1-CD2 4.2Å; F91-P129 HydrophobicContact CD2-CB 4.5Å; F91-P129 HydrophobicContact CE2-CB 4.13Å; F91-P129 HydrophobicContact CE2-CG 4.05Å; F91-E194 HydrophobicContact CE2-CB 4.08Å; F91-E194 HydrophobicContact CZ-CB 3.92Å; F91-L195 HydrophobicContact CE1-CD2 3.92Å; F91-L195 HydrophobicContact CZ-CD2 3.9Å; F91-L195 HydrophobicContact CZ-CG 4.23Å
92D92.8Very high93.6Very high103 Ų10357 Ų5755%0.55130%0.3SS*.Hα-helixtrans-65.3-36.2-178.3-59-23.9000111.2K88 K89 Y90 N95K88-D92 IonicContact NZ-OD1 2.63Å; K88-D92 PolarHBondContact NZ-OD1 3.42Å; K88-D92 IonicContact NZ-OD2 3.27Å; K88-D92 PolarHBondContact O-N 2.9Å; K89-D92 PolarHBondContact O-N 3.26Å; K89-D92 VanDerWaalsContact O-N 3.16Å; Y90-D92 VanDerWaalsContact C-N 3.31Å; Y90-D92 PolarHBondContact O-N 3.13Å; D92-N95 PolarHBondContact O-N 3.03Å
93S93Very high93.6Very high82 Ų8255 Ų5557%0.57329%0.292SS*.Hα-helixtrans-71.1-30.2179.271.90000114.8K89 Y90 F91K89-S93 PolarHBondContact O-N 3.01Å; Y90-S93 PolarHBondContact O-N 2.89Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 2.82Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 2.91Å
94C91.9Very high93.6Very high35 Ų3555.7 Ų55.724%0.23629%0.293CS..THydrogen-bonded Turntrans-100.814.3177.471.30000112.5Y90 F91 G96 D97 L98Y90-C94 PolarHBondContact O-N 2.91Å; Y90-C94 VanDerWaalsContact O-N 3.09Å; Y90-C94 PolarHBondContact O-SG 2.95Å; F91-C94 PolarHBondContact O-N 2.93Å; C94-G96 PolarHBondContact O-N 3.47Å; C94-G96 VanDerWaalsContact O-N 3.12Å; C94-D97 PolarHBondContact O-N 2.99Å; C94-L98 WeakPolarHBondContact SG-CD1 3.45Å
95N90.8Very high93.7Very high149 Ų14953.7 Ų53.780%0.79728%0.284SS*.THydrogen-bonded Turntrans52.731.5-175.7-165.342000113.5F91 D92 D97F91-N95 PolarHBondContact O-N 3.36Å; F91-N95 VanDerWaalsContact O-N 3.15Å; D92-N95 PolarHBondContact O-N 3.03Å; N95-D97 PolarHBondContact O-N 2.81Å
96G86.9Confident93.8Very high4 Ų451.3 Ų51.34%0.04127%0.272CS..THydrogen-bonded Turntrans72.52.7-177.700000114.8F91 C94 A198F91-G96 PolarHBondContact O-N 2.92Å; C94-G96 PolarHBondContact O-N 3.47Å; C94-G96 VanDerWaalsContact O-N 3.12Å; G96-A198 CarbonylContact O-C 3.59Å; G96-A198 WeakPolarHBondContact O-CA 3.49Å
97D92.6Very high93.9Very high113 Ų11350 Ų5060%0.60427%0.265SS*.  trans-99.7105.8-176.4-159.428.6000111.4C94 N95 K254C94-D97 PolarHBondContact O-N 2.99Å; N95-D97 PolarHBondContact O-N 2.81Å; D97-K254 WeakPolarHBondContact OD1-CE 3.45Å; D97-K254 IonicContact OD1-NZ 2.98Å; D97-K254 PolarHBondContact OD1-NZ 2.76Å
98L92.9Very high94Very high6 Ų651.6 Ų51.63%0.03127%0.272CS..  trans-109.6137.9-178.5-77.876.3000110.7Y90 F91 C94 I102 V103 F106 L195 K254Y90-L98 HydrophobicContact CD1-CD2 4.36Å; Y90-L98 HydrophobicContact CE1-CD2 4Å; Y90-L98 HydrophobicContact CE1-CG 4.05Å; F91-L98 HydrophobicContact CD1-CD1 3.68Å; F91-L98 HydrophobicContact CE1-CD1 3.83Å; F91-L98 HydrophobicContact CE1-CD2 4.2Å; C94-L98 WeakPolarHBondContact SG-CD1 3.45Å; L98-I102 HydrophobicContact CD2-CG2 4.11Å; L98-V103 HydrophobicContact CB-CG2 3.76Å; L98-V103 HydrophobicContact CD2-CG2 4.41Å; L98-F106 HydrophobicContact CD2-CD2 4.19Å; L98-F106 HydrophobicContact CD2-CE2 4.23Å; L98-L195 HydrophobicContact CD2-CD2 3.7Å; L98-K254 VanDerWaalsContact O-CD 3.3Å; L98-K254 WeakPolarHBondContact O-CD 3.39Å; L98-K254 WeakPolarHBondContact O-CE 3.24Å
99D93Very high94.2Very high89 Ų8949.1 Ų49.148%0.47626%0.262SS..  trans-59.1138.1169.5-173.6-80.2000110.5E101 I102 V103D99-E101 PolarHBondContact O-N 2.91Å; D99-E101 VanDerWaalsContact O-N 3.13Å; D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 3.46Å; D99-I102 HydrophobicContact CB-CB 4.47Å; D99-I102 HydrophobicContact CB-CD1 4.03Å; D99-I102 HydrophobicContact CB-CG1 4.09Å; D99-I102 WeakPolarHBondContact O-CA 3.27Å; D99-I102 WeakPolarHBondContact O-CB 3.38Å; D99-I102 PolarHBondContact O-N 3.21Å; D99-V103 PolarHBondContact O-N 2.88Å
100P93.2Very high94.4Very high60 Ų6044.7 Ų44.739%0.3924%0.242SC..Hα-helixtrans-53.2-31.2178.8-28.236.1000114.9V103 K104P100-V103 WeakPolarHBondContact O-CB 3.42Å; P100-V103 PolarHBondContact O-N 3.49Å; P100-K104 WeakPolarHBondContact O-CB 3.26Å; P100-K104 PolarHBondContact O-N 2.86Å
101E93.3Very high94.6Very high96 Ų9642.5 Ų42.545%0.44923%0.234SC..Hα-helixtrans-74.1-32.3175.9-65.6-54.9139.600112.2D99 K104 S105D99-E101 PolarHBondContact O-N 2.91Å; D99-E101 VanDerWaalsContact O-N 3.13Å; D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 3.46Å; E101-K104 VanDerWaalsContact CD-NZ 3.29Å; E101-K104 PolarHBondContact O-N 2.95Å; E101-K104 IonicContact OE1-NZ 3.22Å; E101-K104 PolarHBondContact OE1-NZ 3.16Å; E101-K104 IonicContact OE2-NZ 2.79Å; E101-K104 PolarHBondContact OE2-NZ 3.34Å; E101-S105 VanDerWaalsContact O-CB 3.3Å; E101-S105 WeakPolarHBondContact O-CB 2.99Å; E101-S105 PolarHBondContact O-N 2.7Å
102I94.2Very high94.8Very high59 Ų5946.2 Ų46.230%0.30325%0.25SC..Hα-helixtrans-67-43.1171.3-62.6175.1000109.9L98 D99 K104 S105 F106L98-I102 HydrophobicContact CD2-CG2 4.11Å; D99-I102 HydrophobicContact CB-CB 4.47Å; D99-I102 HydrophobicContact CB-CD1 4.03Å; D99-I102 HydrophobicContact CB-CG1 4.09Å; D99-I102 WeakPolarHBondContact O-CA 3.27Å; D99-I102 WeakPolarHBondContact O-CB 3.38Å; D99-I102 PolarHBondContact O-N 3.21Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 3.3Å; I102-S105 PolarHBondContact O-N 2.88Å; I102-F106 HydrophobicContact CG2-CD1 4.39Å; I102-F106 HydrophobicContact CG2-CD2 3.83Å; I102-F106 HydrophobicContact CG2-CE1 4.11Å; I102-F106 HydrophobicContact CG2-CE2 3.51Å; I102-F106 HydrophobicContact CG2-CG 4.27Å; I102-F106 HydrophobicContact CG2-CZ 3.67Å; I102-F106 WeakPolarHBondContact O-CB 3.16Å; I102-F106 WeakPolarHBondContact O-CG 3.41Å; I102-F106 PolarHBondContact O-N 2.97Å
103V95.3Very high95Very high0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-55.8-49.1174.7170.50000110.7L98 D99 P100 L107 F192 L195 A196L98-V103 HydrophobicContact CB-CG2 3.76Å; L98-V103 HydrophobicContact CD2-CG2 4.41Å; D99-V103 PolarHBondContact O-N 2.88Å; P100-V103 WeakPolarHBondContact O-CB 3.42Å; P100-V103 PolarHBondContact O-N 3.49Å; V103-L107 PolarHBondContact O-N 2.85Å; V103-F192 HydrophobicContact CG1-CD2 4.16Å; V103-F192 HydrophobicContact CG1-CE2 3.8Å; V103-L195 HydrophobicContact CB-CB 4.5Å; V103-L195 HydrophobicContact CG1-CB 3.96Å; V103-L195 HydrophobicContact CG2-CB 4.25Å; V103-L195 VanDerWaalsContact CG2-O 3.22Å; V103-L195 WeakPolarHBondContact CG2-O 3.29Å; V103-A196 HydrophobicContact CG1-CB 4.11Å
104K96.1Very high95.3Very high28 Ų2837.4 Ų37.412%0.12220%0.196CC..Hα-helixtrans-61.8-46.2177.7-169.3-172.8-66.1152.40111.3P100 E101 I102 L107 F108 Y285 F286 F289P100-K104 WeakPolarHBondContact O-CB 3.26Å; P100-K104 PolarHBondContact O-N 2.86Å; E101-K104 VanDerWaalsContact CD-NZ 3.29Å; E101-K104 PolarHBondContact O-N 2.95Å; E101-K104 IonicContact OE1-NZ 3.22Å; E101-K104 PolarHBondContact OE1-NZ 3.16Å; E101-K104 IonicContact OE2-NZ 2.79Å; E101-K104 PolarHBondContact OE2-NZ 3.34Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 3.3Å; K104-L107 PolarHBondContact O-N 2.92Å; K104-F108 VanDerWaalsContact O-CB 3.32Å; K104-F108 WeakPolarHBondContact O-CB 3.39Å; K104-F108 PolarHBondContact O-N 3.08Å; K104-Y285 HydrophobicContact CB-CE1 4.13Å; K104-Y285 HydrophobicContact CG-CD1 4.31Å; K104-Y285 HydrophobicContact CG-CE1 3.77Å; K104-F286 HydrophobicContact CD-CD1 4.46Å; K104-F286 HydrophobicContact CG-CD1 3.77Å; K104-F286 HydrophobicContact CG-CE1 3.84Å; K104-F289 HydrophobicContact CD-CB 4.11Å; K104-F289 HydrophobicContact CD-CD2 3.46Å; K104-F289 VanDerWaalsContact CD-CD2 3.46Å; K104-F289 HydrophobicContact CD-CE2 4.16Å; K104-F289 HydrophobicContact CD-CG 3.99Å; K104-F289 HydrophobicContact CG-CD2 3.94Å; K104-F289 HydrophobicContact CG-CE2 4.28Å; K104-F289 HydrophobicContact CG-CG 4.37Å
105S96.8Very high95.6Very high13 Ų1336.6 Ų36.69%0.09119%0.194CC..Hα-helixtrans-59.6-49.3178.1178.80000112.7E101 I102 L107 F108 Q109 F289E101-S105 VanDerWaalsContact O-CB 3.3Å; E101-S105 WeakPolarHBondContact O-CB 2.99Å; E101-S105 PolarHBondContact O-N 2.7Å; I102-S105 PolarHBondContact O-N 2.88Å; S105-L107 PolarHBondContact O-N 2.87Å; S105-F108 PolarHBondContact O-N 3.21Å; S105-Q109 WeakPolarHBondContact O-CB 3.33Å; S105-Q109 VanDerWaalsContact O-CG 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.26Å; S105-Q109 PolarHBondContact O-N 3.04Å; S105-Q109 PolarHBondContact OG-NE2 2.9Å; S105-F289 VanDerWaalsContact CA-CZ 3.47Å
106F97.3Very high95.9Very high5 Ų531.5 Ų31.52%0.02217%0.165CC..Hα-helixtrans-65-41.9-179.9-72.9-6.9000112.1L87 Y90 L98 I102 Q109 L110 I134 L140 L195L87-F106 HydrophobicContact CD1-CD2 4.02Å; L87-F106 HydrophobicContact CD1-CE2 4.17Å; Y90-F106 HydrophobicContact CD1-CE2 4.07Å; Y90-F106 AromaticContact CE1-CE2 3.79Å; Y90-F106 HydrophobicContact CE1-CE2 3.79Å; Y90-F106 HydrophobicContact CE1-CZ 4.3Å; Y90-F106 HydrophobicContact CE2-CZ 4.34Å; L98-F106 HydrophobicContact CD2-CD2 4.19Å; L98-F106 HydrophobicContact CD2-CE2 4.23Å; I102-F106 HydrophobicContact CG2-CD1 4.39Å; I102-F106 HydrophobicContact CG2-CD2 3.83Å; I102-F106 HydrophobicContact CG2-CE1 4.11Å; I102-F106 HydrophobicContact CG2-CE2 3.51Å; I102-F106 HydrophobicContact CG2-CG 4.27Å; I102-F106 HydrophobicContact CG2-CZ 3.67Å; I102-F106 WeakPolarHBondContact O-CB 3.16Å; I102-F106 WeakPolarHBondContact O-CG 3.41Å; I102-F106 PolarHBondContact O-N 2.97Å; F106-Q109 PolarHBondContact O-N 3.45Å; F106-L110 VanDerWaalsContact O-CB 3.25Å; F106-L110 WeakPolarHBondContact O-CB 3.22Å; F106-L110 PolarHBondContact O-N 3.34Å; F106-I134 HydrophobicContact CD2-CD1 4.36Å; F106-I134 HydrophobicContact CE1-CG2 4.36Å; F106-I134 HydrophobicContact CE2-CD1 3.69Å; F106-I134 HydrophobicContact CZ-CD1 3.8Å; F106-I134 HydrophobicContact CZ-CG1 4.37Å; F106-I134 HydrophobicContact CZ-CG2 4.03Å; F106-L140 HydrophobicContact CB-CD1 3.76Å; F106-L140 HydrophobicContact CD1-CB 4.27Å; F106-L140 HydrophobicContact CD1-CD1 4.27Å; F106-L140 HydrophobicContact CG-CD1 3.97Å; F106-L195 HydrophobicContact CB-CD1 4.12Å; F106-L195 HydrophobicContact CB-CD2 4.24Å; F106-L195 HydrophobicContact CD2-CD2 3.87Å
107L97.9Very high96.4Very high0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-63.3-44.1174.7-176.566.3000111.6V103 K104 S105 Q109 L110 L111 F192 L262 Y285 F286V103-L107 PolarHBondContact O-N 2.85Å; K104-L107 PolarHBondContact O-N 2.92Å; S105-L107 PolarHBondContact O-N 2.87Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 3.46Å; L107-L110 HydrophobicContact CD1-CD2 4.38Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.19Å; L107-L111 HydrophobicContact CD1-CD1 4.22Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CD2-CD1 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.87Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.26Å; L107-L111 PolarHBondContact O-N 3.49Å; L107-F192 HydrophobicContact CB-CD2 4.37Å; L107-F192 HydrophobicContact CD1-CB 3.92Å; L107-F192 HydrophobicContact CD1-CD2 4.37Å; L107-F192 HydrophobicContact CD1-CG 4.07Å; L107-F192 HydrophobicContact CD2-CB 4.39Å; L107-F192 HydrophobicContact CD2-CD1 3.61Å; L107-F192 HydrophobicContact CD2-CD2 3.62Å; L107-F192 HydrophobicContact CD2-CE1 3.6Å; L107-F192 HydrophobicContact CD2-CE2 3.59Å; L107-F192 HydrophobicContact CD2-CG 3.63Å; L107-F192 HydrophobicContact CD2-CZ 3.58Å; L107-F192 HydrophobicContact CG-CD2 4.33Å; L107-F192 HydrophobicContact CG-CG 4.38Å; L107-L262 HydrophobicContact CD2-CD2 3.82Å; L107-Y285 HydrophobicContact CD2-CE1 4.26Å; L107-F286 HydrophobicContact CB-CZ 4.27Å; L107-F286 HydrophobicContact CD2-CE1 4.47Å; L107-F286 HydrophobicContact CD2-CZ 3.7Å; L107-F286 HydrophobicContact CG-CZ 3.88Å
108F98.3Very high96.6Very high34 Ų3426.9 Ų26.915%0.14914%0.139CC..Hα-helixtrans-58.7-47.5178.7-175.4-95.7000111.3K104 S105 L111 K112 L281 F286 F289 P291K104-F108 VanDerWaalsContact O-CB 3.32Å; K104-F108 WeakPolarHBondContact O-CB 3.39Å; K104-F108 PolarHBondContact O-N 3.08Å; S105-F108 PolarHBondContact O-N 3.21Å; F108-L111 PolarHBondContact O-N 2.82Å; F108-K112 HydrophobicContact CD1-CG 4.05Å; F108-K112 HydrophobicContact CE1-CD 4.21Å; F108-K112 HydrophobicContact CE1-CG 3.77Å; F108-K112 HydrophobicContact CZ-CD 4.25Å; F108-K112 HydrophobicContact CZ-CG 4.2Å; F108-K112 VanDerWaalsContact O-CG 3.31Å; F108-K112 WeakPolarHBondContact O-CG 3.41Å; F108-K112 PolarHBondContact O-N 3.23Å; F108-L281 HydrophobicContact CD2-CD2 3.66Å; F108-L281 HydrophobicContact CE2-CD2 3.65Å; F108-L281 HydrophobicContact CG-CD2 4.28Å; F108-L281 HydrophobicContact CZ-CD2 4.24Å; F108-F286 HydrophobicContact CB-CD1 4.06Å; F108-F286 HydrophobicContact CB-CE1 3.71Å; F108-F286 HydrophobicContact CB-CZ 4.26Å; F108-F286 HydrophobicContact CD2-CB 4.18Å; F108-F286 AromaticContact CD2-CD1 3.7Å; F108-F286 HydrophobicContact CD2-CD1 3.7Å; F108-F286 HydrophobicContact CD2-CD2 4.24Å; F108-F286 HydrophobicContact CD2-CE1 4.07Å; F108-F286 AromaticContact CD2-CG 3.79Å; F108-F286 HydrophobicContact CD2-CG 3.79Å; F108-F286 HydrophobicContact CD2-CZ 4.47Å; F108-F286 HydrophobicContact CE2-CB 4.4Å; F108-F286 HydrophobicContact CE2-CG 4.44Å; F108-F286 HydrophobicContact CG-CD1 4.35Å; F108-F286 HydrophobicContact CG-CE1 4.41Å; F108-F289 HydrophobicContact CB-CD1 4.22Å; F108-F289 HydrophobicContact CB-CE1 3.86Å; F108-F289 HydrophobicContact CD1-CD1 4.1Å; F108-F289 AromaticContact CD1-CE1 3.74Å; F108-F289 HydrophobicContact CD1-CE1 3.74Å; F108-F289 AromaticContact CD2-CD1 3.98Å; F108-F289 HydrophobicContact CD2-CD1 3.98Å; F108-F289 HydrophobicContact CD2-CE1 4.34Å; F108-F289 HydrophobicContact CE1-CD1 4.46Å; F108-F289 HydrophobicContact CE1-CE1 4.35Å; F108-F289 HydrophobicContact CE2-CD1 4.34Å; F108-F289 AromaticContact CG-CD1 3.83Å; F108-F289 HydrophobicContact CG-CD1 3.83Å; F108-F289 AromaticContact CG-CE1 3.72Å; F108-F289 HydrophobicContact CG-CE1 3.72Å; F108-P291 HydrophobicContact CE1-CG 4.19Å; F108-P291 HydrophobicContact CZ-CG 4.47Å
109Q98.3Very high96.8Very high13 Ų1330.5 Ų30.56%0.06117%0.165CC..Hα-helixtrans-65.1-40.3178.7-71.9-173.776.600112.8N62 S105 F106 L107 K112 G113 G138 E139 L140N62-Q109 VanDerWaalsContact CB-O 3.31Å; N62-Q109 WeakPolarHBondContact CB-O 3.4Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.06Å; N62-Q109 PolarHBondContact ND2-OE1 3.08Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.13Å; S105-Q109 WeakPolarHBondContact O-CB 3.33Å; S105-Q109 VanDerWaalsContact O-CG 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.26Å; S105-Q109 PolarHBondContact O-N 3.04Å; S105-Q109 PolarHBondContact OG-NE2 2.9Å; F106-Q109 PolarHBondContact O-N 3.45Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 3.46Å; Q109-K112 PolarHBondContact O-N 3.35Å; Q109-G113 PolarHBondContact O-N 3.44Å; Q109-G138 PolarHBondContact NE2-O 3.24Å; Q109-E139 VanDerWaalsContact OE1-CA 3.25Å; Q109-L140 HydrophobicContact CB-CB 3.95Å
110L98.6Very high96.9Very high1 Ų133.6 Ų33.61%0.00517%0.17CC..Hα-helixtrans-58.1-51172.4169.556.7000110.8F106 L107 K112 G113 L114 L127 L132 L140 L142 A188 I191F106-L110 VanDerWaalsContact O-CB 3.25Å; F106-L110 WeakPolarHBondContact O-CB 3.22Å; F106-L110 PolarHBondContact O-N 3.34Å; L107-L110 HydrophobicContact CD1-CD2 4.38Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.19Å; L110-K112 PolarHBondContact O-N 3.12Å; L110-G113 PolarHBondContact O-N 2.95Å; L110-L114 HydrophobicContact CD1-CD1 3.57Å; L110-L114 HydrophobicContact CD1-CG 4.29Å; L110-L114 HydrophobicContact CG-CD1 3.89Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 PolarHBondContact O-N 3.46Å; L110-L127 HydrophobicContact CD1-CD2 4.14Å; L110-L132 HydrophobicContact CD1-CD1 4.35Å; L110-L132 HydrophobicContact CD1-CD2 3.9Å; L110-L132 HydrophobicContact CD2-CD1 4.24Å; L110-L140 HydrophobicContact CB-CD2 4.06Å; L110-L142 HydrophobicContact CD1-CD2 3.41Å; L110-L142 VanDerWaalsContact CD1-CD2 3.41Å; L110-A188 HydrophobicContact CD2-CB 4.07Å; L110-I191 HydrophobicContact CD2-CB 4.48Å; L110-I191 HydrophobicContact CD2-CG2 4.17Å
111L98.7Very high96.9Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-64.6-36.6179.7-70.2171.7000112.3L107 F108 L114 G115 M185 A280 L281 F286L107-L111 HydrophobicContact CD1-CD1 4.22Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CD2-CD1 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.87Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.26Å; L107-L111 PolarHBondContact O-N 3.49Å; F108-L111 PolarHBondContact O-N 2.82Å; L111-L114 PolarHBondContact O-N 2.89Å; L111-G115 PolarHBondContact O-N 3.34Å; L111-M185 HydrophobicContact CD2-CE 3.69Å; L111-A280 HydrophobicContact CD1-CB 3.87Å; L111-A280 HydrophobicContact CD2-CB 4.06Å; L111-L281 HydrophobicContact CB-CD2 3.75Å; L111-L281 HydrophobicContact CB-CG 3.93Å; L111-F286 HydrophobicContact CD1-CE2 3.61Å; L111-F286 HydrophobicContact CD1-CZ 3.79Å
112K98.3Very high96.9Very high80 Ų8030.3 Ų30.335%0.34815%0.152SC..Hα-helixtrans-61.8-46.7172.8-75.3-72.5-69.1-176.70112F108 Q109 L110 F116 L281F108-K112 HydrophobicContact CD1-CG 4.05Å; F108-K112 HydrophobicContact CE1-CD 4.21Å; F108-K112 HydrophobicContact CE1-CG 3.77Å; F108-K112 HydrophobicContact CZ-CD 4.25Å; F108-K112 HydrophobicContact CZ-CG 4.2Å; F108-K112 VanDerWaalsContact O-CG 3.31Å; F108-K112 WeakPolarHBondContact O-CG 3.41Å; F108-K112 PolarHBondContact O-N 3.23Å; Q109-K112 PolarHBondContact O-N 3.35Å; L110-K112 PolarHBondContact O-N 3.12Å; K112-F116 PolarHBondContact O-N 3.01Å; K112-F116 VanDerWaalsContact O-N 3.15Å; K112-L281 HydrophobicContact CD-CD1 3.79Å; K112-L281 HydrophobicContact CD-CD2 4.02Å; K112-L281 HydrophobicContact CG-CD1 4.27Å; K112-L281 HydrophobicContact CG-CD2 3.88Å
113G98.4Very high96.9Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-61.4-45.2175.800000112Q109 L110 F116 C117 L142Q109-G113 PolarHBondContact O-N 3.44Å; L110-G113 PolarHBondContact O-N 2.95Å; G113-F116 PolarHBondContact O-N 3.46Å; G113-C117 PolarHBondContact O-N 3.02Å; G113-C117 VanDerWaalsContact O-N 3.08Å; G113-C117 PolarHBondContact O-SG 2.65Å; G113-L142 VanDerWaalsContact C-CD1 3.47Å
114L98.4Very high96.8Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-64.1-48.6178.9-92159.3000112.9L110 L111 F116 C117 H118 L127 L142 D184 A188 A277L110-L114 HydrophobicContact CD1-CD1 3.57Å; L110-L114 HydrophobicContact CD1-CG 4.29Å; L110-L114 HydrophobicContact CG-CD1 3.89Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 2.89Å; L114-F116 PolarHBondContact O-N 3.4Å; L114-C117 WeakPolarHBondContact O-CB 3.35Å; L114-C117 PolarHBondContact O-N 3.08Å; L114-C117 VanDerWaalsContact O-N 3.07Å; L114-H118 WeakPolarHBondContact CD2-NE2 3.48Å; L114-H118 WeakPolarHBondContact O-CB 3.41Å; L114-H118 PolarHBondContact O-CD2 3.4Å; L114-H118 PolarHBondContact O-N 2.96Å; L114-L127 HydrophobicContact CD1-CD1 3.68Å; L114-L127 HydrophobicContact CD2-CD1 3.86Å; L114-L127 HydrophobicContact CG-CD1 4.13Å; L114-L142 HydrophobicContact CG-CD1 4.23Å; L114-D184 HydrophobicContact CD2-CB 3.44Å; L114-D184 VanDerWaalsContact CD2-CB 3.44Å; L114-A188 HydrophobicContact CD1-CB 3.97Å; L114-A277 HydrophobicContact CB-CB 4.3Å
115G98.3Very high96.7Very high18 Ų1826.6 Ų26.619%0.18613%0.133CC..Hα-helixtrans-57.4-38.8177.100000111.6L111 H118 S119L111-G115 PolarHBondContact O-N 3.34Å; G115-H118 PolarHBondContact O-N 3.04Å; G115-S119 WeakPolarHBondContact O-CB 3.4Å; G115-S119 PolarHBondContact O-N 2.92Å; G115-S119 PolarHBondContact O-OG 3.17Å
116F98.2Very high96.5Very high42 Ų4226.4 Ų26.418%0.18413%0.131CC..Hα-helixtrans-63.2-48.4173.4-172-94.2000112.2L58 H60 I63 K112 G113 L114 H118 S119 R120L58-F116 HydrophobicContact CD2-CD1 4.06Å; L58-F116 HydrophobicContact CD2-CE1 4Å; H60-F116 HydrophobicContact CB-CB 4.33Å; H60-F116 HydrophobicContact CB-CD1 3.67Å; H60-F116 HydrophobicContact CB-CD2 4.25Å; H60-F116 HydrophobicContact CB-CE1 3.96Å; H60-F116 HydrophobicContact CB-CG 3.81Å; H60-F116 HydrophobicContact CB-CZ 4.37Å; H60-F116 AromaticContact CD2-CD2 3.83Å; H60-F116 AromaticContact CD2-CG 3.92Å; H60-F116 AromaticContact CG-CG 3.91Å; I63-F116 HydrophobicContact CD1-CD1 3.71Å; I63-F116 HydrophobicContact CD1-CE1 4.46Å; K112-F116 PolarHBondContact O-N 3.01Å; K112-F116 VanDerWaalsContact O-N 3.15Å; G113-F116 PolarHBondContact O-N 3.46Å; L114-F116 PolarHBondContact O-N 3.4Å; F116-H118 VanDerWaalsContact C-N 3.33Å; F116-H118 PolarHBondContact O-N 2.98Å; F116-S119 PolarHBondContact O-N 2.92Å; F116-S119 PolarHBondContact O-OG 2.79Å; F116-R120 HydrophobicContact CD1-CG 4.41Å; F116-R120 HydrophobicContact CE1-CG 4.07Å; F116-R120 HydrophobicContact CZ-CG 4.21Å; F116-R120 WeakPolarHBondContact O-CG 3.27Å; F116-R120 PolarHBondContact O-N 3.21Å; F116-R120 VanDerWaalsContact O-N 3.16Å
117C97.5Very high96.5Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-55.1-48.3174.3-68.60000111.8I63 G113 L114 S119 R120 N121 V122I63-C117 WeakPolarHBondContact CD1-SG 3.47Å; G113-C117 PolarHBondContact O-N 3.02Å; G113-C117 VanDerWaalsContact O-N 3.08Å; G113-C117 PolarHBondContact O-SG 2.65Å; L114-C117 WeakPolarHBondContact O-CB 3.35Å; L114-C117 PolarHBondContact O-N 3.08Å; L114-C117 VanDerWaalsContact O-N 3.07Å; C117-S119 PolarHBondContact O-N 2.83Å; C117-R120 CarbonylContact O-C 3.6Å; C117-R120 WeakPolarHBondContact O-CA 3.26Å; C117-R120 PolarHBondContact O-N 3.17Å; C117-R120 VanDerWaalsContact O-N 3.07Å; C117-N121 PolarHBondContact O-N 2.79Å; C117-V122 CarbonylContact C-O 3.55Å; C117-V122 HydrophobicContact CB-CB 4.34Å; C117-V122 PolarHBondContact O-N 2.86Å
118H96.7Very high96.4Very high21 Ų2127.7 Ų27.710%0.09714%0.137CC..Hα-helixtrans-63.6-42.5-177.7-66.6175.8000111.9L114 G115 F116 R120 N121 V122 T181 D184L114-H118 WeakPolarHBondContact CD2-NE2 3.48Å; L114-H118 WeakPolarHBondContact O-CB 3.41Å; L114-H118 PolarHBondContact O-CD2 3.4Å; L114-H118 PolarHBondContact O-N 2.96Å; G115-H118 PolarHBondContact O-N 3.04Å; F116-H118 VanDerWaalsContact C-N 3.33Å; F116-H118 PolarHBondContact O-N 2.98Å; H118-R120 PolarHBondContact O-N 3.39Å; H118-N121 PolarHBondContact O-N 3.45Å; H118-V122 PolarHBondContact CD2-O 2.9Å; H118-T181 HydrophobicContact CB-CG2 3.68Å; H118-T181 VanDerWaalsContact CG-CG2 3.42Å; H118-D184 IonicContact CD2-OD2 2.84Å; H118-D184 IonicContact NE2-OD2 2.81Å; H118-D184 PolarHBondContact NE2-OD2 3.32Å
119S96.1Very high96.3Very high82 Ų8226.1 Ų26.157%0.57313%0.13SC*.Hα-helixtrans-64.6-21.3174.675.50000113.7G115 F116 C117G115-S119 WeakPolarHBondContact O-CB 3.4Å; G115-S119 PolarHBondContact O-N 2.92Å; G115-S119 PolarHBondContact O-OG 3.17Å; F116-S119 PolarHBondContact O-N 2.92Å; F116-S119 PolarHBondContact O-OG 2.79Å; C117-S119 PolarHBondContact O-N 2.83Å
120R94.8Very high96.2Very high154 Ų15429.3 Ų29.358%0.58115%0.145SC*.THydrogen-bonded Turntrans-98.315.7175.2-65.6-65-174166.8-0.8112.8L58 F116 C117 H118 V122L58-R120 HydrophobicContact CD2-CB 4.04Å; L58-R120 HydrophobicContact CD2-CG 4.34Å; F116-R120 HydrophobicContact CD1-CG 4.41Å; F116-R120 HydrophobicContact CE1-CG 4.07Å; F116-R120 HydrophobicContact CZ-CG 4.21Å; F116-R120 WeakPolarHBondContact O-CG 3.27Å; F116-R120 PolarHBondContact O-N 3.21Å; F116-R120 VanDerWaalsContact O-N 3.16Å; C117-R120 CarbonylContact O-C 3.6Å; C117-R120 WeakPolarHBondContact O-CA 3.26Å; C117-R120 PolarHBondContact O-N 3.17Å; C117-R120 VanDerWaalsContact O-N 3.07Å; H118-R120 PolarHBondContact O-N 3.39Å; R120-V122 VanDerWaalsContact C-N 3.28Å; R120-V122 HydrophobicContact CB-CG2 4.49Å; R120-V122 PolarHBondContact O-N 3.42Å
121N93.1Very high96Very high79 Ų7929.8 Ų29.842%0.42215%0.147SC..THydrogen-bonded Turntrans56.437.7-178.5-60.996.6000113.7C117 H118 A150 F151C117-N121 PolarHBondContact O-N 2.79Å; H118-N121 PolarHBondContact O-N 3.45Å; N121-A150 CarbonylContact O-C 3.39Å; N121-A150 VanDerWaalsContact O-CA 3.23Å; N121-A150 WeakPolarHBondContact O-CA 3.46Å; N121-F151 HydrophobicContact CB-CD1 4.23Å; N121-F151 HydrophobicContact CB-CE1 4.15Å; N121-F151 HydrophobicContact CB-CE2 4.47Å; N121-F151 HydrophobicContact CB-CG 4.47Å; N121-F151 HydrophobicContact CB-CZ 4.26Å; N121-F151 WeakPolarHBondContact CB-O 3.29Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.32Å; N121-F151 WeakPolarHBondContact O-CD1 3.12Å; N121-F151 PolarHBondContact O-N 3.33Å
122V93.3Very high96Very high7 Ų729.8 Ų29.84%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-114.6129.3175.7-175.90000110.9L54 L58 C117 H118 R120 A148L54-V122 HydrophobicContact CD1-CG1 4.29Å; L54-V122 HydrophobicContact CD2-CG1 4.19Å; L54-V122 HydrophobicContact CD2-CG2 3.87Å; L58-V122 HydrophobicContact CD1-CB 4.44Å; L58-V122 HydrophobicContact CD1-CG1 4.15Å; L58-V122 HydrophobicContact CD1-CG2 4.32Å; L58-V122 HydrophobicContact CD2-CG2 4.17Å; C117-V122 CarbonylContact C-O 3.55Å; C117-V122 HydrophobicContact CB-CB 4.34Å; C117-V122 PolarHBondContact O-N 2.86Å; H118-V122 PolarHBondContact CD2-O 2.9Å; R120-V122 VanDerWaalsContact C-N 3.28Å; R120-V122 HydrophobicContact CB-CG2 4.49Å; R120-V122 PolarHBondContact O-N 3.42Å; V122-A148 HydrophobicContact CG1-CB 4.26Å
123L93.9Very high96Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-96.8134.8167.8-54.9-178.4000109.7R125 A148 R149 F151 Y179 T181L123-R125 HydrophobicContact CB-CG 3.63Å; L123-A148 CarbonylContact O-C 3.52Å; L123-A148 WeakPolarHBondContact O-CA 3.18Å; L123-A148 VanDerWaalsContact O-CB 3.27Å; L123-A148 WeakPolarHBondContact O-CB 3.3Å; L123-R149 PolarHBondContact N-O 2.86Å; L123-R149 PolarHBondContact O-N 3.26Å; L123-F151 HydrophobicContact CD1-CB 4.46Å; L123-F151 HydrophobicContact CD1-CD1 4.42Å; L123-F151 HydrophobicContact CD2-CD1 3.61Å; L123-F151 HydrophobicContact CD2-CE1 3.64Å; L123-F151 HydrophobicContact CD2-CG 4.38Å; L123-F151 HydrophobicContact CD2-CZ 4.48Å; L123-F151 HydrophobicContact CG-CB 4.41Å; L123-F151 HydrophobicContact CG-CD1 3.58Å; L123-F151 HydrophobicContact CG-CE1 4.13Å; L123-F151 HydrophobicContact CG-CG 4.25Å; L123-Y179 HydrophobicContact CD1-CD2 4.06Å; L123-Y179 HydrophobicContact CD1-CE2 4.17Å; L123-T181 HydrophobicContact CD2-CG2 3.85Å
124H94.4Very high95.9Very high0 Ų028 Ų280%014%0.141CC..  trans-77-52178.7-169.5-86.3000111.9D126 L127 A143 F145 A148 D184H124-D126 PolarHBondContact CE1-O 3.27Å; H124-D126 PolarHBondContact ND1-N 3.13Å; H124-D126 PolarHBondContact O-N 3.39Å; H124-D126 VanDerWaalsContact O-N 3.16Å; H124-L127 HydrophobicContact CB-CG 4.32Å; H124-L127 PolarHBondContact ND1-N 2.91Å; H124-A143 PolarHBondContact CE1-O 3.11Å; H124-A143 PolarHBondContact NE2-O 3.12Å; H124-F145 AromaticContact CD2-CE1 3.74Å; H124-F145 AromaticContact CD2-CE2 3.85Å; H124-F145 AromaticContact CD2-CZ 3.65Å; H124-F145 AromaticContact NE2-CD2 3.99Å; H124-F145 AromaticContact NE2-CE2 3.91Å; H124-A148 WeakPolarHBondContact O-CA 3.35Å; H124-A148 PolarHBondContact O-N 2.88Å; H124-D184 PolarHBondContact N-OD1 2.98Å; H124-D184 PolarHBondContact N-OD2 3.2Å
125R93.3Very high95.6Very high9 Ų929 Ų293%0.03415%0.147CC..  trans62.610.3174.1-46.5-171.5-60.1161.84.5117.3L123 L147 V162 V163 Y179 I183 D184L123-R125 HydrophobicContact CB-CG 3.63Å; R125-L147 PolarHBondContact NE-O 3.47Å; R125-L147 PolarHBondContact NH2-O 3.42Å; R125-V162 HydrophobicContact CB-CB 4.39Å; R125-V163 HydrophobicContact CB-CG2 4.43Å; R125-V163 WeakPolarHBondContact O-CA 3.44Å; R125-V163 WeakPolarHBondContact O-CG2 3.41Å; R125-V163 PolarHBondContact O-N 2.78Å; R125-Y179 PolarHBondContact NH1-OH 3.46Å; R125-I183 HydrophobicContact CG-CD1 4.5Å; R125-I183 HydrophobicContact CG-CG2 4.37Å; R125-D184 PolarHBondContact N-OD1 2.78Å
126D93.3Very high95.3Very high8 Ų838.2 Ų38.24%0.04318%0.176CC..  trans-146.950.1166.3-162.135000111.8H124 K128 N131 L147 T164H124-D126 PolarHBondContact CE1-O 3.27Å; H124-D126 PolarHBondContact ND1-N 3.13Å; H124-D126 PolarHBondContact O-N 3.39Å; H124-D126 VanDerWaalsContact O-N 3.16Å; D126-K128 PolarHBondContact O-N 3.39Å; D126-K128 IonicContact OD1-NZ 3.96Å; D126-K128 PolarHBondContact OD1-NZ 3.39Å; D126-K128 VanDerWaalsContact OD2-CE 3.23Å; D126-K128 WeakPolarHBondContact OD2-CE 3.48Å; D126-K128 IonicContact OD2-NZ 2.7Å; D126-K128 PolarHBondContact OD2-NZ 2.78Å; D126-N131 PolarHBondContact O-ND2 3.45Å; D126-N131 PolarHBondContact OD2-ND2 2.63Å; D126-N131 VanDerWaalsContact OD2-ND2 3.12Å; D126-L147 HydrophobicContact CB-CB 4.26Å; D126-L147 HydrophobicContact CB-CD1 3.86Å; D126-T164 PolarHBondContact OD1-N 3.49Å; D126-T164 PolarHBondContact OD1-OG1 3.47Å
127L97.2Very high95Very high0 Ų042.3 Ų42.30%020%0.2CC..  trans-73.3125.8173.2-80.7177.1000110.9L110 L114 H124 L132 L142 Y167 D184 I191L110-L127 HydrophobicContact CD1-CD2 4.14Å; L114-L127 HydrophobicContact CD1-CD1 3.68Å; L114-L127 HydrophobicContact CD2-CD1 3.86Å; L114-L127 HydrophobicContact CG-CD1 4.13Å; H124-L127 HydrophobicContact CB-CG 4.32Å; H124-L127 PolarHBondContact ND1-N 2.91Å; L127-L132 HydrophobicContact CD2-CD2 4.01Å; L127-L142 HydrophobicContact CD2-CD2 3.68Å; L127-Y167 WeakPolarHBondContact O-CB 3.25Å; L127-D184 HydrophobicContact CD1-CB 3.94Å; L127-I191 HydrophobicContact CB-CD1 4.12Å
128K96Very high94.9Very high33 Ų3343.5 Ų43.514%0.14321%0.212CC..SBendtrans-163.6160.5175.357.9-171.8167.4-155.50108.7D126 Q130 N131 T164 Y167D126-K128 PolarHBondContact O-N 3.39Å; D126-K128 IonicContact OD1-NZ 3.96Å; D126-K128 PolarHBondContact OD1-NZ 3.39Å; D126-K128 VanDerWaalsContact OD2-CE 3.23Å; D126-K128 WeakPolarHBondContact OD2-CE 3.48Å; D126-K128 IonicContact OD2-NZ 2.7Å; D126-K128 PolarHBondContact OD2-NZ 2.78Å; K128-Q130 HydrophobicContact CG-CB 4.37Å; K128-Q130 PolarHBondContact O-N 2.97Å; K128-Q130 VanDerWaalsContact O-N 3.1Å; K128-N131 VanDerWaalsContact CE-ND2 3.31Å; K128-N131 WeakPolarHBondContact CE-ND2 3.38Å; K128-N131 HydrophobicContact CG-CB 4.16Å; K128-N131 PolarHBondContact O-N 3.12Å; K128-T164 HydrophobicContact CD-CG2 4.49Å; K128-T164 WeakPolarHBondContact CD-OG1 3.5Å; K128-T164 PolarHBondContact NZ-OG1 3.3Å; K128-Y167 HydrophobicContact CB-CD2 3.79Å; K128-Y167 HydrophobicContact CB-CE1 4.34Å; K128-Y167 HydrophobicContact CB-CE2 3.53Å; K128-Y167 HydrophobicContact CB-CG 4.31Å
129P96.8Very high94.9Very high0 Ų046.2 Ų46.20%023%0.225CC..G310 helixtrans-54-32.2-178.6-28.837.1000114.6L87 K88 F91 N131 L132 Y167L87-P129 HydrophobicContact CB-CB 4.08Å; L87-P129 WeakPolarHBondContact CB-O 3.34Å; L87-P129 HydrophobicContact CD2-CB 4.16Å; L87-P129 HydrophobicContact CG-CB 4.12Å; L87-P129 PolarHBondContact N-O 2.76Å; K88-P129 HydrophobicContact CB-CB 4Å; K88-P129 PolarHBondContact N-O 3.17Å; F91-P129 HydrophobicContact CD2-CB 4.5Å; F91-P129 HydrophobicContact CE2-CB 4.13Å; F91-P129 HydrophobicContact CE2-CG 4.05Å; P129-N131 PolarHBondContact O-N 3.48Å; P129-L132 PolarHBondContact O-N 2.92Å; P129-Y167 VanDerWaalsContact CD-CZ 3.4Å; P129-Y167 WeakPolarHBondContact CD-OH 3.29Å; P129-Y167 HydrophobicContact CG-CE1 4.46Å
130Q94.6Very high95Very high81 Ų8142.3 Ų42.338%0.37920%0.198SC..G310 helixtrans-66.9-23.2177.2-60.282.4-0.600113.5K88 K128K88-Q130 HydrophobicContact CB-CG 4.02Å; K88-Q130 HydrophobicContact CG-CG 4.42Å; K128-Q130 HydrophobicContact CG-CB 4.37Å; K128-Q130 PolarHBondContact O-N 2.97Å; K128-Q130 VanDerWaalsContact O-N 3.1Å
131N95.7Very high95.1Very high11 Ų1135.6 Ų35.66%0.05917%0.172CC..G310 helixtrans-100.19.4-179.4-70.30.4000112.2D126 K128 P129 A143D126-N131 PolarHBondContact O-ND2 3.45Å; D126-N131 PolarHBondContact OD2-ND2 2.63Å; D126-N131 VanDerWaalsContact OD2-ND2 3.12Å; K128-N131 VanDerWaalsContact CE-ND2 3.31Å; K128-N131 WeakPolarHBondContact CE-ND2 3.38Å; K128-N131 HydrophobicContact CG-CB 4.16Å; K128-N131 PolarHBondContact O-N 3.12Å; P129-N131 PolarHBondContact O-N 3.48Å; N131-A143 PolarHBondContact O-N 3.43Å
132L97.8Very high95.4Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-111.9111.7173.2-61.4-175.5000108.4D86 L87 L110 L127 P129 L140 L142 I191D86-L132 CarbonylContact C-O 3.42Å; D86-L132 VanDerWaalsContact CA-O 3.27Å; D86-L132 WeakPolarHBondContact CA-O 3.31Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.4Å; L87-L132 HydrophobicContact CD2-CD1 3.76Å; L87-L132 PolarHBondContact N-O 2.76Å; L110-L132 HydrophobicContact CD1-CD1 4.35Å; L110-L132 HydrophobicContact CD1-CD2 3.9Å; L110-L132 HydrophobicContact CD2-CD1 4.24Å; L127-L132 HydrophobicContact CD2-CD2 4.01Å; P129-L132 PolarHBondContact O-N 2.92Å; L132-L140 HydrophobicContact CB-CD1 4.48Å; L132-L140 HydrophobicContact CD1-CD1 4.41Å; L132-L140 HydrophobicContact CD2-CD2 4.22Å; L132-L142 HydrophobicContact CD2-CD2 3.35Å; L132-I191 HydrophobicContact CD1-CD1 3.92Å; L132-I191 HydrophobicContact CD1-CG2 3.9Å
133L97.5Very high95.4Very high39 Ų3931.9 Ų31.920%0.20415%0.154CC..EExtended strand (participates in β ladder)trans-93.2144.2-178.9-56.6-178.9000110.6V64 C83 D86 L140 K141 A143V64-L133 HydrophobicContact CG2-CD1 4.09Å; C83-L133 HydrophobicContact CB-CB 3.62Å; C83-L133 HydrophobicContact CB-CD1 4.12Å; C83-L133 HydrophobicContact CB-CG 4.38Å; D86-L133 HydrophobicContact CB-CD2 4.11Å; L133-L140 CarbonylContact O-C 3.43Å; L133-L140 WeakPolarHBondContact O-CA 3.31Å; L133-K141 HydrophobicContact CB-CB 4.5Å; L133-K141 PolarHBondContact N-O 3.5Å; L133-K141 PolarHBondContact O-N 2.87Å; L133-A143 HydrophobicContact CD1-CB 3.6Å; L133-A143 HydrophobicContact CG-CB 3.67Å
134I96.9Very high95.2Very high2 Ų233.5 Ų33.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-128.3132.6-179.4-57.3169.3000108.4D84 Q85 L87 Y90 F106 E139D84-I134 PolarHBondContact N-O 3.36Å; Q85-I134 HydrophobicContact CG-CB 4.44Å; Q85-I134 PolarHBondContact N-O 3.4Å; Q85-I134 PolarHBondContact O-N 3.4Å; L87-I134 HydrophobicContact CB-CD1 3.98Å; L87-I134 HydrophobicContact CD1-CD1 3.62Å; L87-I134 HydrophobicContact CG-CD1 4.41Å; Y90-I134 HydrophobicContact CD1-CD1 4.37Å; Y90-I134 HydrophobicContact CD2-CD1 3.93Å; Y90-I134 HydrophobicContact CD2-CG2 4.37Å; Y90-I134 HydrophobicContact CG-CD1 3.76Å; F106-I134 HydrophobicContact CD2-CD1 4.36Å; F106-I134 HydrophobicContact CE1-CG2 4.36Å; F106-I134 HydrophobicContact CE2-CD1 3.69Å; F106-I134 HydrophobicContact CZ-CD1 3.8Å; F106-I134 HydrophobicContact CZ-CG1 4.37Å; F106-I134 HydrophobicContact CZ-CG2 4.03Å; I134-E139 WeakPolarHBondContact CA-O 3.09Å
135N93.5Very high95Very high23 Ų2333.5 Ų33.512%0.12316%0.162CC..  trans-101.4170.5170.872.515.5000112.2D84 N137 G138 E139D84-N135 VanDerWaalsContact OD2-CA 3.31Å; D84-N135 WeakPolarHBondContact OD2-CA 3.42Å; N135-N137 PolarHBondContact O-N 2.89Å; N135-N137 VanDerWaalsContact O-N 3.08Å; N135-N137 WeakPolarHBondContact OD1-CA 3.43Å; N135-N137 WeakPolarHBondContact OD1-CB 3.24Å; N135-N137 PolarHBondContact OD1-N 2.93Å; N135-G138 PolarHBondContact O-N 3.13Å; N135-G138 PolarHBondContact OD1-N 3.2Å; N135-E139 PolarHBondContact N-O 3.3Å; N135-E139 PolarHBondContact ND2-OE2 3.43Å; N135-E139 WeakPolarHBondContact OD1-CB 3.18Å; N135-E139 PolarHBondContact OD1-N 2.9Å
136R90.8Very high94.5Very high211 Ų21133.1 Ų33.180%0.79616%0.161SC*.THydrogen-bonded Turntrans-55.8-22.2177.5-76.1167.4-162.5-142.1-3.4115.2D84 G138D84-R136 IonicContact OD1-CZ 2.86Å; D84-R136 IonicContact OD1-NE 2.95Å; D84-R136 PolarHBondContact OD1-NE 3.14Å; D84-R136 IonicContact OD1-NH2 2.78Å; D84-R136 WeakPolarHBondContact OD2-CG 3.44Å; D84-R136 PolarHBondContact OD2-N 2.69Å; D84-R136 IonicContact OD2-NE 3.71Å; R136-G138 PolarHBondContact O-N 3.25Å
137N93Very high93.9Very high128 Ų12835.3 Ų35.368%0.68417%0.173SC*.THydrogen-bonded Turntrans-83.30.1178.8-59.2-27.6000112.4N135 E139N135-N137 PolarHBondContact O-N 2.89Å; N135-N137 VanDerWaalsContact O-N 3.08Å; N135-N137 WeakPolarHBondContact OD1-CA 3.43Å; N135-N137 WeakPolarHBondContact OD1-CB 3.24Å; N135-N137 PolarHBondContact OD1-N 2.93Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.12Å
138G93.7Very high93.1Very high25 Ų2535.3 Ų35.326%0.25817%0.173SC..  trans76.218.1-174.700000113.1Q109 N135 R136Q109-G138 PolarHBondContact NE2-O 3.24Å; N135-G138 PolarHBondContact O-N 3.13Å; N135-G138 PolarHBondContact OD1-N 3.2Å; R136-G138 PolarHBondContact O-N 3.25Å
139E96.8Very high92.5Very high77 Ų7738 Ų3836%0.3618%0.182SC..  trans-84.1128175.7-56.3177.2142.900110.2Q109 I134 N135 N137Q109-E139 VanDerWaalsContact OE1-CA 3.25Å; I134-E139 WeakPolarHBondContact CA-O 3.09Å; N135-E139 PolarHBondContact N-O 3.3Å; N135-E139 PolarHBondContact ND2-OE2 3.43Å; N135-E139 WeakPolarHBondContact OD1-CB 3.18Å; N135-E139 PolarHBondContact OD1-N 2.9Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.12Å
140L98.2Very high91.6Very high1 Ų140.9 Ų40.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-99.8132.7176.7-175.9153.3000110.5N62 F106 Q109 L110 L132 L133N62-L140 WeakPolarHBondContact CA-O 3.45Å; N62-L140 WeakPolarHBondContact CB-O 3.5Å; N62-L140 PolarHBondContact ND2-O 3.41Å; F106-L140 HydrophobicContact CB-CD1 3.76Å; F106-L140 HydrophobicContact CD1-CB 4.27Å; F106-L140 HydrophobicContact CD1-CD1 4.27Å; F106-L140 HydrophobicContact CG-CD1 3.97Å; Q109-L140 HydrophobicContact CB-CB 3.95Å; L110-L140 HydrophobicContact CB-CD2 4.06Å; L132-L140 HydrophobicContact CB-CD1 4.48Å; L132-L140 HydrophobicContact CD1-CD1 4.41Å; L132-L140 HydrophobicContact CD2-CD2 4.22Å; L133-L140 CarbonylContact O-C 3.43Å; L133-L140 WeakPolarHBondContact O-CA 3.31Å
141K98.4Very high91Very high12 Ų1239.2 Ų39.25%0.05220%0.197CC..EExtended strand (participates in β ladder)trans-129.8129.8-177.5-70.8161.6178.9-73.40111.4K61 N62 E81 L133K61-K141 WeakPolarHBondContact O-CG 3.5Å; K61-K141 PolarHBondContact O-NZ 2.87Å; N62-K141 WeakPolarHBondContact O-CA 3.23Å; E81-K141 WeakPolarHBondContact OE1-CD 3.33Å; E81-K141 WeakPolarHBondContact OE1-CE 3.38Å; E81-K141 IonicContact OE1-NZ 2.8Å; E81-K141 PolarHBondContact OE1-NZ 2.88Å; E81-K141 WeakPolarHBondContact OE2-CE 3.31Å; E81-K141 IonicContact OE2-NZ 3.31Å; E81-K141 PolarHBondContact OE2-NZ 2.71Å; L133-K141 HydrophobicContact CB-CB 4.5Å; L133-K141 PolarHBondContact N-O 3.5Å; L133-K141 PolarHBondContact O-N 2.87Å
142L98.2Very high89.5Confident0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-65.9133.6169.6-62.7-177.3000110.4N62 I63 V64 L110 G113 L114 L127 L132 F145N62-L142 PolarHBondContact O-N 3.07Å; I63-L142 HydrophobicContact CG1-CB 4.38Å; I63-L142 HydrophobicContact CG1-CD1 4.34Å; V64-L142 WeakPolarHBondContact CB-O 3.41Å; V64-L142 WeakPolarHBondContact CG1-O 3.36Å; V64-L142 PolarHBondContact N-O 3.25Å; L110-L142 HydrophobicContact CD1-CD2 3.41Å; L110-L142 VanDerWaalsContact CD1-CD2 3.41Å; G113-L142 VanDerWaalsContact C-CD1 3.47Å; L114-L142 HydrophobicContact CG-CD1 4.23Å; L127-L142 HydrophobicContact CD2-CD2 3.68Å; L132-L142 HydrophobicContact CD2-CD2 3.35Å; L142-F145 HydrophobicContact CB-CE2 4.1Å; L142-F145 HydrophobicContact CB-CZ 4.15Å
143A94.4Very high87.8Confident9 Ų948.3 Ų48.37%0.07426%0.259CS..  trans-137.4170.4178.500000112.6V64 H124 N131 L133V64-A143 HydrophobicContact CB-CB 4.19Å; V64-A143 HydrophobicContact CG1-CB 3.88Å; H124-A143 PolarHBondContact CE1-O 3.11Å; H124-A143 PolarHBondContact NE2-O 3.12Å; N131-A143 PolarHBondContact O-N 3.43Å; L133-A143 HydrophobicContact CD1-CB 3.6Å; L133-A143 HydrophobicContact CG-CB 3.67Å
144D88.5Confident86Confident34 Ų3452.7 Ų52.718%0.18229%0.291CS..  trans60.573.4179.4-155.710.5000114.9K33 G146K33-D144 IonicContact NZ-OD1 3.1Å; K33-D144 PolarHBondContact NZ-OD1 3.14Å; D144-G146 PolarHBondContact O-N 2.98Å
145F90.4Very high84.3Confident0 Ų055 Ų550%030%0.304CS..G310 helixtrans-86.217178.4-75.6-109.9000112.4E51 L55 L58 I63 H124 L142 L147 A148E51-F145 HydrophobicContact CG-CB 4.17Å; E51-F145 PolarHBondContact OE1-N 3.09Å; L55-F145 HydrophobicContact CD1-CB 4.33Å; L55-F145 HydrophobicContact CD1-CD2 4.5Å; L55-F145 HydrophobicContact CD2-CB 4.45Å; L55-F145 HydrophobicContact CD2-CD2 3.65Å; L55-F145 HydrophobicContact CD2-CE2 3.96Å; L55-F145 HydrophobicContact CD2-CG 3.98Å; L55-F145 HydrophobicContact CG-CB 4.27Å; L55-F145 HydrophobicContact CG-CD2 4.35Å; L55-F145 HydrophobicContact CG-CG 4.33Å; L58-F145 HydrophobicContact CD1-CD1 3.79Å; L58-F145 HydrophobicContact CD1-CE1 3.38Å; L58-F145 HydrophobicContact CD1-CZ 4.09Å; I63-F145 HydrophobicContact CG2-CE2 3.83Å; I63-F145 HydrophobicContact CG2-CZ 3.8Å; H124-F145 AromaticContact CD2-CE1 3.74Å; H124-F145 AromaticContact CD2-CE2 3.85Å; H124-F145 AromaticContact CD2-CZ 3.65Å; H124-F145 AromaticContact NE2-CD2 3.99Å; H124-F145 AromaticContact NE2-CE2 3.91Å; L142-F145 HydrophobicContact CB-CE2 4.1Å; L142-F145 HydrophobicContact CB-CZ 4.15Å; F145-L147 PolarHBondContact O-N 3.02Å; F145-A148 HydrophobicContact CB-CB 3.77Å; F145-A148 HydrophobicContact CD1-CB 3.57Å; F145-A148 HydrophobicContact CG-CB 4.08Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.37Å; F145-A148 PolarHBondContact O-N 3.34Å
146G82.2Confident82.5Confident1 Ų165.8 Ų65.81%0.0134%0.343CS..G310 helixtrans-60.2-29-179.700000113.7D144D144-G146 PolarHBondContact O-N 2.98Å
147L80.7Confident81.2Confident55 Ų5559.1 Ų59.129%0.28833%0.329SS..G310 helixtrans-99.70173.7-64.6179.9000113.5R125 D126 F145R125-L147 PolarHBondContact NE-O 3.47Å; R125-L147 PolarHBondContact NH2-O 3.42Å; D126-L147 HydrophobicContact CB-CB 4.26Å; D126-L147 HydrophobicContact CB-CD1 3.86Å; F145-L147 PolarHBondContact O-N 3.02Å
148A81.8Confident80.1Confident0 Ų054 Ų540%030%0.3CS..  trans-69.4157.8179.600000112R50 L54 V122 L123 H124 F145R50-A148 WeakPolarHBondContact CD-O 3.44Å; L54-A148 HydrophobicContact CD1-CB 3.62Å; V122-A148 HydrophobicContact CG1-CB 4.26Å; L123-A148 CarbonylContact O-C 3.52Å; L123-A148 WeakPolarHBondContact O-CA 3.18Å; L123-A148 VanDerWaalsContact O-CB 3.27Å; L123-A148 WeakPolarHBondContact O-CB 3.3Å; H124-A148 WeakPolarHBondContact O-CA 3.35Å; H124-A148 PolarHBondContact O-N 2.88Å; F145-A148 HydrophobicContact CB-CB 3.77Å; F145-A148 HydrophobicContact CD1-CB 3.57Å; F145-A148 HydrophobicContact CG-CB 4.08Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.37Å; F145-A148 PolarHBondContact O-N 3.34Å
149R82.8Confident78.8Confident88 Ų8856 Ų5633%0.33231%0.309SS..EExtended strand (participates in β ladder)trans-151.6141.6-180-160.6175178135.1-2.2111.7L123L123-R149 PolarHBondContact N-O 2.86Å; L123-R149 PolarHBondContact O-N 3.26Å
150A78.2Confident77Confident61 Ų6153.2 Ų53.250%0.50430%0.3SS..EExtended strand (participates in β ladder)trans-68.1142166.100000110.7N121N121-A150 CarbonylContact O-C 3.39Å; N121-A150 VanDerWaalsContact O-CA 3.23Å; N121-A150 WeakPolarHBondContact O-CA 3.46Å
151F81.1Confident75.6Confident46 Ų4661.3 Ų61.320%0.20234%0.337CS..  trans-122.9172.6174.871.8-89.3000111.2N121 L123 Y158 T181N121-F151 HydrophobicContact CB-CD1 4.23Å; N121-F151 HydrophobicContact CB-CE1 4.15Å; N121-F151 HydrophobicContact CB-CE2 4.47Å; N121-F151 HydrophobicContact CB-CG 4.47Å; N121-F151 HydrophobicContact CB-CZ 4.26Å; N121-F151 WeakPolarHBondContact CB-O 3.29Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.32Å; N121-F151 WeakPolarHBondContact O-CD1 3.12Å; N121-F151 PolarHBondContact O-N 3.33Å; L123-F151 HydrophobicContact CD1-CB 4.46Å; L123-F151 HydrophobicContact CD1-CD1 4.42Å; L123-F151 HydrophobicContact CD2-CD1 3.61Å; L123-F151 HydrophobicContact CD2-CE1 3.64Å; L123-F151 HydrophobicContact CD2-CG 4.38Å; L123-F151 HydrophobicContact CD2-CZ 4.48Å; L123-F151 HydrophobicContact CG-CB 4.41Å; L123-F151 HydrophobicContact CG-CD1 3.58Å; L123-F151 HydrophobicContact CG-CE1 4.13Å; L123-F151 HydrophobicContact CG-CG 4.25Å; F151-Y158 WeakPolarHBondContact CB-OH 3.48Å; F151-T181 HydrophobicContact CE1-CG2 3.86Å; F151-T181 HydrophobicContact CE2-CG2 4.46Å; F151-T181 HydrophobicContact CZ-CG2 3.57Å
152G64.2Low74.2Confident63 Ų6361 Ų6165%0.64934%0.337SS*.  trans102.8-16.1177.800000115.1
153I63.4Low73Confident139 Ų13961.3 Ų61.371%0.71334%0.339SS*.SBendtrans-82.1136.3162.6-57.1176.2000107.4V155I153-V155 WeakPolarHBondContact O-CG2 3.29Å; I153-V155 PolarHBondContact O-N 3.26Å
154P58.3Low72.6Confident132 Ų13263.2 Ų63.286%0.85735%0.349SS*.  trans-54.8113.4174.1-23.732.8000110.4
155V61Low72.9Confident50 Ų5063.2 Ų63.230%0.30335%0.349SS..  trans-113.6136.3177.3-142.70000108.1I153 C157 Y158I153-V155 WeakPolarHBondContact O-CG2 3.29Å; I153-V155 PolarHBondContact O-N 3.26Å; V155-C157 PolarHBondContact O-N 3.46Å; V155-Y158 HydrophobicContact CB-CE1 4.23Å; V155-Y158 HydrophobicContact CG2-CD1 4.49Å; V155-Y158 HydrophobicContact CG2-CE1 3.6Å; V155-Y158 HydrophobicContact CG2-CE2 4.45Å; V155-Y158 WeakPolarHBondContact CG2-OH 3.43Å
156R57.1Low73.3Confident249 Ų24968 Ų6894%0.9437%0.367SS*.SBendtrans-59.1-38.8177.9-78.6-173.9179.4-176-0112
157C63.6Low74Confident72 Ų7268.2 Ų68.249%0.48637%0.368SS..  trans-166.3150.6177.8480000110.5V155 K177V155-C157 PolarHBondContact O-N 3.46Å; C157-K177 HydrophobicContact CB-CB 3.93Å
158Y68.4Low74.8Confident21 Ų2167.6 Ų67.68%0.08236%0.362CS..  trans-96.4155.8162.7-60.9-67.4000110.4F151 V155 A160 K177 Y179F151-Y158 WeakPolarHBondContact CB-OH 3.48Å; V155-Y158 HydrophobicContact CB-CE1 4.23Å; V155-Y158 HydrophobicContact CG2-CD1 4.49Å; V155-Y158 HydrophobicContact CG2-CE1 3.6Å; V155-Y158 HydrophobicContact CG2-CE2 4.45Å; V155-Y158 WeakPolarHBondContact CG2-OH 3.43Å; Y158-A160 PolarHBondContact O-N 3.36Å; Y158-K177 PolarHBondContact N-O 2.84Å; Y158-Y179 VanDerWaalsContact CB-OH 3.26Å; Y158-Y179 WeakPolarHBondContact CB-OH 3.48Å; Y158-Y179 HydrophobicContact CD2-CD2 4.29Å; Y158-Y179 HydrophobicContact CD2-CE2 4.12Å; Y158-Y179 HydrophobicContact CG-CE2 4.08Å
159S67.9Low75.5Confident65 Ų6567.6 Ų67.646%0.45536%0.362SS..  trans-63.8134.2174.2-178.10000110.2E161 Y179S159-E161 PolarHBondContact OG-N 2.98Å; S159-Y179 WeakPolarHBondContact O-CE1 3.41Å; S159-Y179 PolarHBondContact O-OH 3.37Å
160A58.9Low76.3Confident19 Ų1963.4 Ų63.416%0.15735%0.346CS..SBendtrans-82.1-22.1175.800000112.5Y158 V162 V172 K177Y158-A160 PolarHBondContact O-N 3.36Å; A160-V162 PolarHBondContact O-N 3.28Å; A160-V172 WeakPolarHBondContact O-CG1 3.42Å; A160-K177 HydrophobicContact CB-CD 4.48Å
161E68.6Low77.1Confident171 Ų17160.7 Ų60.780%0.79932%0.323SS*.SBendtrans-81.264.9174-69.1-172.7169.400110.7S159S159-E161 PolarHBondContact OG-N 2.98Å
162V69.4Low77.8Confident7 Ų758.7 Ų58.74%0.04231%0.314CS..  trans-128.4159.8174.4-64.30000109.2R125 A160 R168 V172 Y179 I183R125-V162 HydrophobicContact CB-CB 4.39Å; A160-V162 PolarHBondContact O-N 3.28Å; V162-R168 PolarHBondContact O-NE 2.8Å; V162-R168 PolarHBondContact O-NH2 2.78Å; V162-V172 HydrophobicContact CG2-CG1 4.41Å; V162-Y179 HydrophobicContact CG2-CE1 4.24Å; V162-Y179 WeakPolarHBondContact CG2-OH 3.47Å; V162-I183 HydrophobicContact CG2-CD1 3.87Å
163V71.3Confident79.4Confident6 Ų656 Ų564%0.03629%0.285CS..SBendtrans66.5134.5-176.4-166.80000112.6R125 L165 Y167 R168 I183R125-V163 HydrophobicContact CB-CG2 4.43Å; R125-V163 WeakPolarHBondContact O-CA 3.44Å; R125-V163 WeakPolarHBondContact O-CG2 3.41Å; R125-V163 PolarHBondContact O-N 2.78Å; V163-L165 PolarHBondContact O-N 3.18Å; V163-Y167 WeakPolarHBondContact CG1-O 3.15Å; V163-R168 HydrophobicContact CB-CB 4.27Å; V163-R168 HydrophobicContact CB-CG 4.42Å; V163-R168 HydrophobicContact CG1-CB 4.29Å; V163-R168 PolarHBondContact O-NE 2.91Å; V163-R168 PolarHBondContact O-NH2 3.19Å; V163-I183 HydrophobicContact CG2-CD1 3.62Å; V163-I183 HydrophobicContact CG2-CG1 3.89Å
164T86.5Confident80.9Confident49 Ų4949.5 Ų49.530%0.30125%0.252SS..  trans-58.2133.2169.9-58.10000110.4D126 K128 W166 Y167 R168D126-T164 PolarHBondContact OD1-N 3.49Å; D126-T164 PolarHBondContact OD1-OG1 3.47Å; K128-T164 HydrophobicContact CD-CG2 4.49Å; K128-T164 WeakPolarHBondContact CD-OG1 3.5Å; K128-T164 PolarHBondContact NZ-OG1 3.3Å; T164-W166 VanDerWaalsContact C-N 3.27Å; T164-W166 PolarHBondContact O-N 2.92Å; T164-Y167 HydrophobicContact CG2-CD2 4.27Å; T164-Y167 HydrophobicContact CG2-CE2 4.43Å; T164-Y167 PolarHBondContact O-N 3.16Å; T164-R168 PolarHBondContact O-N 3.31Å
165L95.4Very high82.6Confident34 Ų3443.3 Ų43.318%0.17821%0.211CC..G310 helixtrans-44-45.1-166.7179.162.7000114.7V163 Y167 R168 L173 G205 V208 Q211V163-L165 PolarHBondContact O-N 3.18Å; L165-Y167 PolarHBondContact O-N 2.86Å; L165-R168 WeakPolarHBondContact O-CB 3.48Å; L165-R168 PolarHBondContact O-N 3.11Å; L165-L173 HydrophobicContact CD1-CD2 3.75Å; L165-G205 WeakPolarHBondContact CD2-O 3.4Å; L165-V208 HydrophobicContact CD1-CG2 4.3Å; L165-Q211 HydrophobicContact CD1-CB 3.97Å; L165-Q211 HydrophobicContact CD1-CG 4.03Å; L165-Q211 HydrophobicContact CG-CB 4.3Å; L165-Q211 HydrophobicContact CG-CG 4.28Å; L165-Q211 PolarHBondContact O-NE2 3.26Å
166W97.6Very high84.1Confident100 Ų10041.2 Ų41.238%0.37920%0.2SC..G310 helixtrans-65.6-21.2-175.1-57-16000114.6T164 P201 F203 P204 G205 Q211T164-W166 VanDerWaalsContact C-N 3.27Å; T164-W166 PolarHBondContact O-N 2.92Å; W166-P201 HydrophobicContact CD2-CB 4.44Å; W166-P201 HydrophobicContact CE3-CB 3.86Å; W166-P201 HydrophobicContact CE3-CG 3.55Å; W166-P201 HydrophobicContact CZ3-CB 4.38Å; W166-P201 HydrophobicContact CZ3-CG 3.65Å; W166-F203 WeakPolarHBondContact CA-O 3.19Å; W166-F203 WeakPolarHBondContact CB-O 3.3Å; W166-P204 HydrophobicContact CD2-CB 4.46Å; W166-P204 HydrophobicContact CZ2-CB 4.46Å; W166-G205 PolarHBondContact NE1-O 3.06Å; W166-Q211 PolarHBondContact O-NE2 3.24Å
167Y98Very high85.4Confident5 Ų533.6 Ų33.62%0.0217%0.173CC..G310 helixtrans-110.36.5-177.8-50.9-89000112L127 K128 P129 V163 T164 L165 W186 S187 C190 I191 E194L127-Y167 WeakPolarHBondContact O-CB 3.25Å; K128-Y167 HydrophobicContact CB-CD2 3.79Å; K128-Y167 HydrophobicContact CB-CE1 4.34Å; K128-Y167 HydrophobicContact CB-CE2 3.53Å; K128-Y167 HydrophobicContact CB-CG 4.31Å; P129-Y167 VanDerWaalsContact CD-CZ 3.4Å; P129-Y167 WeakPolarHBondContact CD-OH 3.29Å; P129-Y167 HydrophobicContact CG-CE1 4.46Å; V163-Y167 WeakPolarHBondContact CG1-O 3.15Å; T164-Y167 HydrophobicContact CG2-CD2 4.27Å; T164-Y167 HydrophobicContact CG2-CE2 4.43Å; T164-Y167 PolarHBondContact O-N 3.16Å; L165-Y167 PolarHBondContact O-N 2.86Å; Y167-W186 VanDerWaalsContact O-CD1 3.3Å; Y167-S187 PolarHBondContact O-OG 3.44Å; Y167-C190 HydrophobicContact CD1-CB 3.83Å; Y167-C190 HydrophobicContact CE1-CB 4.44Å; Y167-I191 HydrophobicContact CD1-CG1 4.09Å; Y167-I191 HydrophobicContact CE1-CG1 3.97Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.49Å; Y167-E194 PolarHBondContact OH-OE1 2.91Å
168R97.2Very high86.4Confident43 Ų4336 Ų3616%0.16218%0.181CC..  trans-83.1133.3-177.4-169.1-179.4-68.4166.13.3110.3V162 V163 T164 L165 V172 L173 W186V162-R168 PolarHBondContact O-NE 2.8Å; V162-R168 PolarHBondContact O-NH2 2.78Å; V163-R168 HydrophobicContact CB-CB 4.27Å; V163-R168 HydrophobicContact CB-CG 4.42Å; V163-R168 HydrophobicContact CG1-CB 4.29Å; V163-R168 PolarHBondContact O-NE 2.91Å; V163-R168 PolarHBondContact O-NH2 3.19Å; T164-R168 PolarHBondContact O-N 3.31Å; L165-R168 WeakPolarHBondContact O-CB 3.48Å; L165-R168 PolarHBondContact O-N 3.11Å; R168-V172 HydrophobicContact CG-CB 3.94Å; R168-V172 HydrophobicContact CG-CG1 3.85Å; R168-L173 HydrophobicContact CB-CD2 4.3Å; R168-L173 HydrophobicContact CB-CG 4.29Å; R168-L173 HydrophobicContact CG-CD2 4.21Å; R168-L173 HydrophobicContact CG-CG 4.04Å; R168-L173 WeakPolarHBondContact O-CD1 3.3Å; R168-W186 PolarHBondContact O-NE1 3.2Å
169P97.6Very high87Confident0 Ų035.8 Ų35.80%018%0.18CC..  trans-76.7159.9-178.533.3-39.1000113D171 V172 L173 I183 W186P169-D171 VanDerWaalsContact C-N 3.31Å; P169-D171 VanDerWaalsContact CB-OD1 3.32Å; P169-D171 WeakPolarHBondContact CB-OD1 3.42Å; P169-D171 PolarHBondContact O-N 2.9Å; P169-V172 HydrophobicContact CG-CB 3.97Å; P169-V172 HydrophobicContact CG-CG2 3.62Å; P169-V172 PolarHBondContact O-N 3.15Å; P169-L173 WeakPolarHBondContact O-CG 3.27Å; P169-L173 PolarHBondContact O-N 3.33Å; P169-I183 HydrophobicContact CG-CG1 3.94Å; P169-W186 HydrophobicContact CB-CB 3.69Å; P169-W186 HydrophobicContact CB-CD2 3.9Å; P169-W186 HydrophobicContact CB-CE3 4.45Å; P169-W186 HydrophobicContact CB-CG 3.51Å; P169-W186 HydrophobicContact CG-CB 4.49Å
170P97.7Very high88.1Confident0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-55.2-39.1-179.6-29.838.2000114.7V172 L173 F174 W186 L212 I215 F216 W227 C269P170-V172 PolarHBondContact O-N 3.47Å; P170-L173 PolarHBondContact O-N 2.76Å; P170-F174 WeakPolarHBondContact O-CB 3.39Å; P170-F174 WeakPolarHBondContact O-CD2 3.38Å; P170-F174 PolarHBondContact O-N 3.48Å; P170-W186 HydrophobicContact CG-CH2 3.79Å; P170-W186 HydrophobicContact CG-CZ2 4.19Å; P170-W186 HydrophobicContact CG-CZ3 4Å; P170-L212 HydrophobicContact CB-CD2 4.2Å; P170-I215 HydrophobicContact CG-CD1 4.21Å; P170-I215 HydrophobicContact CG-CG2 4Å; P170-F216 HydrophobicContact CB-CE1 4.5Å; P170-W227 HydrophobicContact CB-CH2 3.98Å; P170-W227 HydrophobicContact CB-CZ3 3.87Å; P170-C269 HydrophobicContact CG-CB 4.2Å
171D96.8Very high89.8Confident3 Ų336.1 Ų36.12%0.01618%0.18CC..Hα-helixtrans-63.7-42.2-17953.7-69.8000111.8P169 F174 G175 A176 W227 P271 R274P169-D171 VanDerWaalsContact C-N 3.31Å; P169-D171 VanDerWaalsContact CB-OD1 3.32Å; P169-D171 WeakPolarHBondContact CB-OD1 3.42Å; P169-D171 PolarHBondContact O-N 2.9Å; D171-F174 CarbonylContact O-C 3.48Å; D171-F174 PolarHBondContact O-N 3.1Å; D171-G175 PolarHBondContact O-N 2.89Å; D171-A176 HydrophobicContact CB-CB 4.13Å; D171-A176 WeakPolarHBondContact O-CB 3.46Å; D171-A176 PolarHBondContact O-N 3.22Å; D171-W227 HydrophobicContact CB-CH2 3.81Å; D171-W227 HydrophobicContact CB-CZ2 3.63Å; D171-P271 HydrophobicContact CB-CG 3.93Å; D171-R274 IonicContact OD1-CZ 2.88Å; D171-R274 IonicContact OD1-NH1 4Å; D171-R274 IonicContact OD1-NH2 2.85Å; D171-R274 PolarHBondContact OD1-NH2 3.29Å
172V95.4Very high91.2Very high4 Ų428.2 Ų28.22%0.02414%0.143CC..Hα-helixtrans-73-34.8176.4-177.20000111.3A160 V162 R168 P169 P170 F174 G175 Y179 I183A160-V172 WeakPolarHBondContact O-CG1 3.42Å; V162-V172 HydrophobicContact CG2-CG1 4.41Å; R168-V172 HydrophobicContact CG-CB 3.94Å; R168-V172 HydrophobicContact CG-CG1 3.85Å; P169-V172 HydrophobicContact CG-CB 3.97Å; P169-V172 HydrophobicContact CG-CG2 3.62Å; P169-V172 PolarHBondContact O-N 3.15Å; P170-V172 PolarHBondContact O-N 3.47Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 3.21Å; V172-G175 PolarHBondContact O-N 3.31Å; V172-Y179 HydrophobicContact CG2-CD1 3.94Å; V172-Y179 HydrophobicContact CG2-CG 4.32Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.24Å
173L96.6Very high92.4Very high8 Ų827.9 Ų27.94%0.04214%0.141CC..Hα-helixtrans-62.7-32.5172.4-71.8163.7000112.3L165 R168 P169 P170 G175 V208 Q211 L212 I215L165-L173 HydrophobicContact CD1-CD2 3.75Å; R168-L173 HydrophobicContact CB-CD2 4.3Å; R168-L173 HydrophobicContact CB-CG 4.29Å; R168-L173 HydrophobicContact CG-CD2 4.21Å; R168-L173 HydrophobicContact CG-CG 4.04Å; R168-L173 WeakPolarHBondContact O-CD1 3.3Å; P169-L173 WeakPolarHBondContact O-CG 3.27Å; P169-L173 PolarHBondContact O-N 3.33Å; P170-L173 PolarHBondContact O-N 2.76Å; L173-G175 PolarHBondContact O-N 2.94Å; L173-V208 HydrophobicContact CB-CG1 4.28Å; L173-V208 HydrophobicContact CD2-CB 4.4Å; L173-V208 HydrophobicContact CD2-CG1 3.97Å; L173-V208 HydrophobicContact CD2-CG2 4.26Å; L173-V208 WeakPolarHBondContact O-CG1 3.45Å; L173-Q211 HydrophobicContact CD1-CB 4.3Å; L173-Q211 HydrophobicContact CD1-CG 3.58Å; L173-Q211 HydrophobicContact CD2-CB 4.24Å; L173-Q211 HydrophobicContact CD2-CG 3.98Å; L173-Q211 HydrophobicContact CG-CG 4.47Å; L173-L212 HydrophobicContact CB-CD1 4.06Å; L173-L212 HydrophobicContact CB-CD2 3.81Å; L173-L212 HydrophobicContact CB-CG 3.88Å; L173-L212 HydrophobicContact CD1-CD2 3.96Å; L173-L212 HydrophobicContact CD1-CG 4.07Å; L173-I215 HydrophobicContact CD1-CD1 3.7Å
174F96.5Very high93.7Very high2 Ų227.6 Ų27.61%0.00914%0.139CC..THydrogen-bonded Turntrans-83.911.1170.4-74.9-53.9000114P170 D171 V172 L212 F216 W227 M230 L233 D235 Y236 Y239P170-F174 WeakPolarHBondContact O-CB 3.39Å; P170-F174 WeakPolarHBondContact O-CD2 3.38Å; P170-F174 PolarHBondContact O-N 3.48Å; D171-F174 CarbonylContact O-C 3.48Å; D171-F174 PolarHBondContact O-N 3.1Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 3.21Å; F174-L212 HydrophobicContact CD1-CD1 3.97Å; F174-L212 HydrophobicContact CD2-CD2 4.28Å; F174-L212 HydrophobicContact CE1-CD1 3.77Å; F174-L212 HydrophobicContact CE2-CD2 3.97Å; F174-L212 HydrophobicContact CZ-CD1 4.1Å; F174-L212 HydrophobicContact CZ-CD2 4.1Å; F174-F216 HydrophobicContact CE2-CE2 4.35Å; F174-F216 AromaticContact CE2-CZ 3.73Å; F174-F216 HydrophobicContact CE2-CZ 3.73Å; F174-F216 HydrophobicContact CZ-CE2 4.01Å; F174-F216 AromaticContact CZ-CZ 3.86Å; F174-F216 HydrophobicContact CZ-CZ 3.86Å; F174-W227 HydrophobicContact CD2-CH2 4.06Å; F174-W227 HydrophobicContact CD2-CZ3 4.29Å; F174-W227 HydrophobicContact CE2-CZ3 4.32Å; F174-M230 HydrophobicContact CD2-CG 4.3Å; F174-M230 HydrophobicContact CE2-CG 3.95Å; F174-M230 HydrophobicContact CE2-SD 4.02Å; F174-L233 HydrophobicContact CB-CB 3.86Å; F174-L233 HydrophobicContact CB-CD1 3.57Å; F174-L233 HydrophobicContact CB-CG 4.34Å; F174-L233 HydrophobicContact CD2-CD1 4.18Å; F174-L233 HydrophobicContact CG-CD1 4.26Å; F174-L233 WeakPolarHBondContact O-CB 3.39Å; F174-D235 PolarHBondContact O-N 3.23Å; F174-Y236 HydrophobicContact CD1-CD2 4.25Å; F174-Y236 AromaticContact CE1-CD2 3.87Å; F174-Y236 HydrophobicContact CE1-CD2 3.87Å; F174-Y236 HydrophobicContact CE1-CE2 4.49Å; F174-Y236 HydrophobicContact CZ-CD2 4.07Å; F174-Y236 HydrophobicContact CZ-CE2 4.38Å; F174-Y239 AromaticContact CE1-CD2 3.99Å; F174-Y239 HydrophobicContact CE1-CD2 3.99Å; F174-Y239 AromaticContact CE1-CE2 3.61Å; F174-Y239 HydrophobicContact CE1-CE2 3.61Å; F174-Y239 AromaticContact CZ-CD2 3.9Å; F174-Y239 HydrophobicContact CZ-CD2 3.9Å; F174-Y239 AromaticContact CZ-CE2 3.91Å; F174-Y239 HydrophobicContact CZ-CE2 3.91Å
175G94Very high94.3Very high1 Ų125.3 Ų25.31%0.0113%0.125CC..THydrogen-bonded Turntrans84.815.1171.200000115.5D171 V172 L173 K177 P234 D235D171-G175 PolarHBondContact O-N 2.89Å; V172-G175 PolarHBondContact O-N 3.31Å; L173-G175 PolarHBondContact O-N 2.94Å; G175-K177 WeakPolarHBondContact O-CD 3.38Å; G175-K177 WeakPolarHBondContact O-CE 3.32Å; G175-K177 PolarHBondContact O-N 3.1Å; G175-K177 VanDerWaalsContact O-N 3.17Å; G175-P234 WeakPolarHBondContact O-CG 3.4Å; G175-D235 WeakPolarHBondContact CA-OD2 3.41Å
176A92.7Very high94.4Very high7 Ų723.7 Ų23.76%0.05812%0.117CC..  trans-50.112417600000111.1D171 L233D171-A176 HydrophobicContact CB-CB 4.13Å; D171-A176 WeakPolarHBondContact O-CB 3.46Å; D171-A176 PolarHBondContact O-N 3.22Å; A176-L233 HydrophobicContact CB-CD2 3.88Å
177K84.2Confident94.5Very high88 Ų8818.9 Ų18.938%0.38310%0.099SC..SBendtrans-92.4-16.5179.9-55.6-55.8179.1-166.10113.1C157 Y158 A160 G175 P234C157-K177 HydrophobicContact CB-CB 3.93Å; Y158-K177 PolarHBondContact N-O 2.84Å; A160-K177 HydrophobicContact CB-CD 4.48Å; G175-K177 WeakPolarHBondContact O-CD 3.38Å; G175-K177 WeakPolarHBondContact O-CE 3.32Å; G175-K177 PolarHBondContact O-N 3.1Å; G175-K177 VanDerWaalsContact O-N 3.17Å; K177-P234 HydrophobicContact CG-CG 4.49Å
178L83.4Confident94.5Very high124 Ų12418.7 Ų18.765%0.64910%0.098SC*.  trans-118.8111.3176.1-63.5174.7000107.2
179Y82.5Confident94.6Very high15 Ų1516.6 Ų16.66%0.0599%0.09CC..  trans-132.2153.8175.646.1-106.1000109.2L123 R125 Y158 S159 V162 V172 I183L123-Y179 HydrophobicContact CD1-CD2 4.06Å; L123-Y179 HydrophobicContact CD1-CE2 4.17Å; R125-Y179 PolarHBondContact NH1-OH 3.46Å; Y158-Y179 VanDerWaalsContact CB-OH 3.26Å; Y158-Y179 WeakPolarHBondContact CB-OH 3.48Å; Y158-Y179 HydrophobicContact CD2-CD2 4.29Å; Y158-Y179 HydrophobicContact CD2-CE2 4.12Å; Y158-Y179 HydrophobicContact CG-CE2 4.08Å; S159-Y179 WeakPolarHBondContact O-CE1 3.41Å; S159-Y179 PolarHBondContact O-OH 3.37Å; V162-Y179 HydrophobicContact CG2-CE1 4.24Å; V162-Y179 WeakPolarHBondContact CG2-OH 3.47Å; V172-Y179 HydrophobicContact CG2-CD1 3.94Å; V172-Y179 HydrophobicContact CG2-CG 4.32Å; Y179-I183 HydrophobicContact CD2-CD1 4.01Å; Y179-I183 HydrophobicContact CD2-CG2 4.37Å; Y179-I183 HydrophobicContact CE2-CD1 4.09Å; Y179-I183 HydrophobicContact CG-CD1 4.29Å
180S89.5Confident94.6Very high55 Ų5516.7 Ų16.739%0.3859%0.091SC..  trans-112.7-161-177.1690000110.6S182 I183S180-S182 PolarHBondContact O-N 3.34Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 PolarHBondContact OG-N 2.93Å; S180-S182 PolarHBondContact OG-OG 2.96Å; S180-I183 VanDerWaalsContact O-CG2 3.24Å; S180-I183 WeakPolarHBondContact O-CG2 3.48Å; S180-I183 PolarHBondContact O-N 3.41Å
181T95.4Very high94.7Very high36 Ų3616.7 Ų16.722%0.2219%0.091CC..THydrogen-bonded Turntrans-54.3-22.3170.951.30000113.5H118 L123 F151 I183 D184 M185H118-T181 HydrophobicContact CB-CG2 3.68Å; H118-T181 VanDerWaalsContact CG-CG2 3.42Å; L123-T181 HydrophobicContact CD2-CG2 3.85Å; F151-T181 HydrophobicContact CE1-CG2 3.86Å; F151-T181 HydrophobicContact CE2-CG2 4.46Å; F151-T181 HydrophobicContact CZ-CG2 3.57Å; T181-I183 PolarHBondContact O-N 3.34Å; T181-I183 VanDerWaalsContact O-N 3.13Å; T181-D184 PolarHBondContact O-N 2.96Å; T181-D184 VanDerWaalsContact O-N 3.12Å; T181-M185 PolarHBondContact O-N 3.44Å
182S96.7Very high94.7Very high5 Ų516.5 Ų16.54%0.0359%0.09CC..Hα-helixtrans-57.9-25.4177.965.70000113.6S180 D184 M185 W186 P271 R274S180-S182 PolarHBondContact O-N 3.34Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 PolarHBondContact OG-N 2.93Å; S180-S182 PolarHBondContact OG-OG 2.96Å; S182-D184 VanDerWaalsContact C-N 3.33Å; S182-D184 PolarHBondContact O-N 2.84Å; S182-M185 PolarHBondContact O-N 2.8Å; S182-W186 PolarHBondContact O-N 3.46Å; S182-P271 WeakPolarHBondContact CB-O 3.06Å; S182-P271 WeakPolarHBondContact OG-CB 3.5Å; S182-R274 VanDerWaalsContact O-CD 3.3Å; S182-R274 WeakPolarHBondContact O-CD 3.4Å; S182-R274 PolarHBondContact O-NH1 3.27Å
183I96.3Very high94.8Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-59.7-44.8176.1-167.9174.1000111.3R125 V162 V163 P169 V172 Y179 S180 T181 S187R125-I183 HydrophobicContact CG-CD1 4.5Å; R125-I183 HydrophobicContact CG-CG2 4.37Å; V162-I183 HydrophobicContact CG2-CD1 3.87Å; V163-I183 HydrophobicContact CG2-CD1 3.62Å; V163-I183 HydrophobicContact CG2-CG1 3.89Å; P169-I183 HydrophobicContact CG-CG1 3.94Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.24Å; Y179-I183 HydrophobicContact CD2-CD1 4.01Å; Y179-I183 HydrophobicContact CD2-CG2 4.37Å; Y179-I183 HydrophobicContact CE2-CD1 4.09Å; Y179-I183 HydrophobicContact CG-CD1 4.29Å; S180-I183 VanDerWaalsContact O-CG2 3.24Å; S180-I183 WeakPolarHBondContact O-CG2 3.48Å; S180-I183 PolarHBondContact O-N 3.41Å; T181-I183 PolarHBondContact O-N 3.34Å; T181-I183 VanDerWaalsContact O-N 3.13Å; I183-S187 PolarHBondContact O-N 2.95Å; I183-S187 PolarHBondContact O-OG 2.82Å
184D97.6Very high94.9Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-74-32.4-178.7-62.2-34.9000111.1L114 H118 H124 R125 L127 T181 S182 W186 S187 A188L114-D184 HydrophobicContact CD2-CB 3.44Å; L114-D184 VanDerWaalsContact CD2-CB 3.44Å; H118-D184 IonicContact CD2-OD2 2.84Å; H118-D184 IonicContact NE2-OD2 2.81Å; H118-D184 PolarHBondContact NE2-OD2 3.32Å; H124-D184 PolarHBondContact N-OD1 2.98Å; H124-D184 PolarHBondContact N-OD2 3.2Å; R125-D184 PolarHBondContact N-OD1 2.78Å; L127-D184 HydrophobicContact CD1-CB 3.94Å; T181-D184 PolarHBondContact O-N 2.96Å; T181-D184 VanDerWaalsContact O-N 3.12Å; S182-D184 VanDerWaalsContact C-N 3.33Å; S182-D184 PolarHBondContact O-N 2.84Å; D184-W186 VanDerWaalsContact C-N 3.33Å; D184-W186 PolarHBondContact O-N 3.31Å; D184-S187 PolarHBondContact O-N 3.24Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 3.13Å
185M98.7Very high94.8Very high1 Ų116.2 Ų16.21%0.0059%0.089CC..Hα-helixtrans-64.6-37178.7-59.2-49.1-57.700112.2L111 T181 S182 A188 G189 L266 R274 I275 A277 A280L111-M185 HydrophobicContact CD2-CE 3.69Å; T181-M185 PolarHBondContact O-N 3.44Å; S182-M185 PolarHBondContact O-N 2.8Å; M185-A188 PolarHBondContact O-N 3.47Å; M185-G189 PolarHBondContact O-N 3.28Å; M185-L266 HydrophobicContact CB-CD2 4.45Å; M185-L266 HydrophobicContact CE-CD2 3.42Å; M185-L266 VanDerWaalsContact CE-CD2 3.42Å; M185-R274 HydrophobicContact CB-CG 4.13Å; M185-I275 WeakPolarHBondContact CG-O 3.43Å; M185-A277 HydrophobicContact CE-CB 4.03Å; M185-A277 HydrophobicContact SD-CB 3.77Å; M185-A280 HydrophobicContact CE-CB 4.47Å
186W98.7Very high94.9Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-63.4-48.7173176.5-86.3000111.2Y167 R168 P169 P170 S182 D184 A188 G189 C190 F203 I215 L219 L267Y167-W186 VanDerWaalsContact O-CD1 3.3Å; R168-W186 PolarHBondContact O-NE1 3.2Å; P169-W186 HydrophobicContact CB-CB 3.69Å; P169-W186 HydrophobicContact CB-CD2 3.9Å; P169-W186 HydrophobicContact CB-CE3 4.45Å; P169-W186 HydrophobicContact CB-CG 3.51Å; P169-W186 HydrophobicContact CG-CB 4.49Å; P170-W186 HydrophobicContact CG-CH2 3.79Å; P170-W186 HydrophobicContact CG-CZ2 4.19Å; P170-W186 HydrophobicContact CG-CZ3 4Å; S182-W186 PolarHBondContact O-N 3.46Å; D184-W186 VanDerWaalsContact C-N 3.33Å; D184-W186 PolarHBondContact O-N 3.31Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 3.01Å; W186-G189 WeakPolarHBondContact O-CA 3.47Å; W186-G189 PolarHBondContact O-N 3.12Å; W186-C190 PolarHBondContact NE1-SG 3.01Å; W186-C190 VanDerWaalsContact NE1-SG 3.39Å; W186-C190 PolarHBondContact O-N 2.97Å; W186-F203 HydrophobicContact CH2-CE2 4.32Å; W186-F203 HydrophobicContact CZ2-CD2 4.17Å; W186-F203 AromaticContact CZ2-CE2 3.71Å; W186-F203 HydrophobicContact CZ2-CE2 3.71Å; W186-F203 HydrophobicContact CZ2-CZ 4.5Å; W186-I215 HydrophobicContact CH2-CD1 4.35Å; W186-I215 HydrophobicContact CH2-CG1 4.39Å; W186-I215 HydrophobicContact CH2-CG2 3.59Å; W186-I215 HydrophobicContact CZ2-CD1 3.68Å; W186-I215 HydrophobicContact CZ2-CG1 3.89Å; W186-I215 HydrophobicContact CZ2-CG2 3.97Å; W186-L219 HydrophobicContact CH2-CD1 3.65Å; W186-L219 HydrophobicContact CZ3-CD1 4.14Å; 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 4.3Å; W186-L267 HydrophobicContact CZ3-CB 4.24Å; W186-L267 HydrophobicContact CZ3-CD2 4.25Å; W186-L267 VanDerWaalsContact CZ3-O 3.28Å; W186-L267 WeakPolarHBondContact CZ3-O 3.42Å
187S98.4Very high94.9Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-59.8-38.8178.1-51.80000111.5Y167 I183 D184 C190 I191Y167-S187 PolarHBondContact O-OG 3.44Å; I183-S187 PolarHBondContact O-N 2.95Å; I183-S187 PolarHBondContact O-OG 2.82Å; D184-S187 PolarHBondContact O-N 3.24Å; S187-C190 WeakPolarHBondContact O-CB 3.14Å; S187-C190 PolarHBondContact O-N 2.94Å; S187-I191 VanDerWaalsContact O-CG1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.5Å; S187-I191 PolarHBondContact O-N 2.85Å
188A98.8Very high95.2Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-62.7-39.3172.900000112.4L110 L114 D184 M185 W186 I191 F192L110-A188 HydrophobicContact CD2-CB 4.07Å; L114-A188 HydrophobicContact CD1-CB 3.97Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 3.13Å; M185-A188 PolarHBondContact O-N 3.47Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 3.01Å; A188-I191 PolarHBondContact O-N 3.06Å; A188-F192 WeakPolarHBondContact O-CB 3.22Å; A188-F192 PolarHBondContact O-N 3.1Å
189G98.6Very high95.5Very high0 Ų010.5 Ų10.50%07%0.069CC..Hα-helixtrans-62.1-43172.100000113M185 W186 I191 F192 A193 L263M185-G189 PolarHBondContact O-N 3.28Å; W186-G189 WeakPolarHBondContact O-CA 3.47Å; W186-G189 PolarHBondContact O-N 3.12Å; G189-I191 PolarHBondContact O-N 3.36Å; G189-F192 PolarHBondContact O-N 3.34Å; G189-A193 PolarHBondContact O-N 3.43Å; G189-A193 VanDerWaalsContact O-N 3.09Å; G189-L263 WeakPolarHBondContact O-CD1 2.93Å
190C98.5Very high96Very high1 Ų118.8 Ų18.81%0.00710%0.1CC..Hα-helixtrans-59.1-48.3173.7-67.70000111.1Y167 W186 S187 F192 A193 E194Y167-C190 HydrophobicContact CD1-CB 3.83Å; Y167-C190 HydrophobicContact CE1-CB 4.44Å; W186-C190 PolarHBondContact NE1-SG 3.01Å; W186-C190 VanDerWaalsContact NE1-SG 3.39Å; W186-C190 PolarHBondContact O-N 2.97Å; S187-C190 WeakPolarHBondContact O-CB 3.14Å; S187-C190 PolarHBondContact O-N 2.94Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.3Å; C190-A193 WeakPolarHBondContact O-CB 3.3Å; C190-A193 PolarHBondContact O-N 3.02Å; C190-E194 WeakPolarHBondContact O-CG 3.39Å; C190-E194 PolarHBondContact O-N 3.05Å; C190-E194 VanDerWaalsContact O-N 3.16Å
191I98.3Very high96.3Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-63.1-38.5178.5-66.4164000111.2L87 L110 L127 L132 Y167 S187 A188 G189 A193 E194 L195L87-I191 HydrophobicContact CD2-CG2 3.92Å; L110-I191 HydrophobicContact CD2-CB 4.48Å; L110-I191 HydrophobicContact CD2-CG2 4.17Å; L127-I191 HydrophobicContact CB-CD1 4.12Å; L132-I191 HydrophobicContact CD1-CD1 3.92Å; L132-I191 HydrophobicContact CD1-CG2 3.9Å; Y167-I191 HydrophobicContact CD1-CG1 4.09Å; Y167-I191 HydrophobicContact CE1-CG1 3.97Å; S187-I191 VanDerWaalsContact O-CG1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.5Å; S187-I191 PolarHBondContact O-N 2.85Å; A188-I191 PolarHBondContact O-N 3.06Å; G189-I191 PolarHBondContact O-N 3.36Å; I191-A193 VanDerWaalsContact C-N 3.29Å; I191-A193 PolarHBondContact O-N 3.44Å; I191-E194 WeakPolarHBondContact O-CB 3.49Å; I191-E194 PolarHBondContact O-N 3.09Å; I191-E194 VanDerWaalsContact O-N 3.11Å; I191-L195 HydrophobicContact CG2-CD1 4.18Å; I191-L195 HydrophobicContact CG2-CG 4.38Å; I191-L195 WeakPolarHBondContact O-CG 3.18Å; I191-L195 PolarHBondContact O-N 3.29Å
192F98.4Very high96.4Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-60.4-40.7176-175.2-157.7000111.9V103 L107 A188 G189 C190 E194 L195 A196 L255 L262 L263 L266 Y285V103-F192 HydrophobicContact CG1-CD2 4.16Å; V103-F192 HydrophobicContact CG1-CE2 3.8Å; L107-F192 HydrophobicContact CB-CD2 4.37Å; L107-F192 HydrophobicContact CD1-CB 3.92Å; L107-F192 HydrophobicContact CD1-CD2 4.37Å; L107-F192 HydrophobicContact CD1-CG 4.07Å; L107-F192 HydrophobicContact CD2-CB 4.39Å; L107-F192 HydrophobicContact CD2-CD1 3.61Å; L107-F192 HydrophobicContact CD2-CD2 3.62Å; L107-F192 HydrophobicContact CD2-CE1 3.6Å; L107-F192 HydrophobicContact CD2-CE2 3.59Å; L107-F192 HydrophobicContact CD2-CG 3.63Å; L107-F192 HydrophobicContact CD2-CZ 3.58Å; L107-F192 HydrophobicContact CG-CD2 4.33Å; L107-F192 HydrophobicContact CG-CG 4.38Å; A188-F192 WeakPolarHBondContact O-CB 3.22Å; A188-F192 PolarHBondContact O-N 3.1Å; G189-F192 PolarHBondContact O-N 3.34Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.3Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 2.97Å; F192-L195 PolarHBondContact O-N 3.48Å; F192-A196 WeakPolarHBondContact O-CB 3.48Å; F192-A196 PolarHBondContact O-N 3.19Å; F192-L255 HydrophobicContact CD1-CD1 4.43Å; F192-L255 HydrophobicContact CE1-CD1 3.81Å; F192-L255 HydrophobicContact CE1-CD2 4.49Å; F192-L255 HydrophobicContact CE2-CD1 4.03Å; F192-L255 HydrophobicContact CE2-CD2 3.53Å; F192-L255 HydrophobicContact CE2-CG 4.41Å; F192-L255 HydrophobicContact CZ-CD1 3.59Å; F192-L255 HydrophobicContact CZ-CD2 3.48Å; F192-L255 VanDerWaalsContact CZ-CD2 3.48Å; F192-L255 HydrophobicContact CZ-CG 4.21Å; F192-L262 HydrophobicContact CE1-CB 4.34Å; F192-L262 HydrophobicContact CE1-CD2 4.24Å; F192-L262 HydrophobicContact CE1-CG 4.26Å; F192-L263 HydrophobicContact CB-CD1 4.14Å; F192-L263 HydrophobicContact CD1-CB 3.96Å; F192-L263 HydrophobicContact CD1-CD1 3.8Å; F192-L263 HydrophobicContact CD1-CG 4.43Å; F192-L263 HydrophobicContact CE1-CB 4.05Å; F192-L263 HydrophobicContact CG-CD1 4.28Å; F192-L266 HydrophobicContact CD1-CD1 4.07Å; F192-Y285 HydrophobicContact CE2-CE1 4.08Å; F192-Y285 HydrophobicContact CZ-CD1 4.31Å; F192-Y285 AromaticContact CZ-CE1 3.69Å; F192-Y285 HydrophobicContact CZ-CE1 3.69Å; F192-Y285 HydrophobicContact CZ-CE2 4.48Å; F192-Y285 AromaticContact CZ-CZ 3.8Å
193A97.8Very high96.5Very high4 Ų417.6 Ų17.63%0.0339%0.089CC..Hα-helixtrans-65.6-34.8174.700000112.9G189 C190 I191 N197 L202 V252 L263G189-A193 PolarHBondContact O-N 3.43Å; G189-A193 VanDerWaalsContact O-N 3.09Å; C190-A193 WeakPolarHBondContact O-CB 3.3Å; C190-A193 PolarHBondContact O-N 3.02Å; I191-A193 VanDerWaalsContact C-N 3.29Å; I191-A193 PolarHBondContact O-N 3.44Å; A193-N197 WeakPolarHBondContact O-CB 3.43Å; A193-N197 PolarHBondContact O-N 3.1Å; A193-L202 HydrophobicContact CB-CB 4.1Å; A193-L202 HydrophobicContact CB-CD1 4.12Å; A193-L202 HydrophobicContact CB-CD2 3.66Å; A193-L202 HydrophobicContact CB-CG 4.18Å; A193-V252 HydrophobicContact CB-CG1 3.85Å; A193-L263 HydrophobicContact CB-CD1 4.26Å; A193-L263 HydrophobicContact CB-CD2 4.29Å
194E97Very high96.5Very high3 Ų319.8 Ų19.81%0.01410%0.103CC..Hα-helixtrans-66.8-45.9174.4-56-165.4-15400111.7F91 Y167 C190 I191 F192 A196 N197 G199 R200 P201F91-E194 HydrophobicContact CE2-CB 4.08Å; F91-E194 HydrophobicContact CZ-CB 3.92Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.49Å; Y167-E194 PolarHBondContact OH-OE1 2.91Å; C190-E194 WeakPolarHBondContact O-CG 3.39Å; C190-E194 PolarHBondContact O-N 3.05Å; C190-E194 VanDerWaalsContact O-N 3.16Å; I191-E194 WeakPolarHBondContact O-CB 3.49Å; I191-E194 PolarHBondContact O-N 3.09Å; I191-E194 VanDerWaalsContact O-N 3.11Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 2.97Å; E194-A196 VanDerWaalsContact C-N 3.3Å; E194-A196 PolarHBondContact O-N 2.96Å; E194-N197 PolarHBondContact O-N 3.48Å; E194-G199 WeakPolarHBondContact O-CA 3.37Å; E194-G199 PolarHBondContact O-N 3.1Å; E194-R200 WeakPolarHBondContact CG-O 3.35Å; E194-P201 WeakPolarHBondContact OE1-CA 3.42Å
195L96.3Very high96.5Very high1 Ų119.9 Ų19.91%0.00510%0.104CC..Hα-helixtrans-56.5-45.6175.7-72.8169.4000111.1L87 F91 L98 V103 F106 I191 F192 N197L87-L195 HydrophobicContact CD1-CD2 3.78Å; L87-L195 HydrophobicContact CD2-CD2 4.07Å; F91-L195 HydrophobicContact CE1-CD2 3.92Å; F91-L195 HydrophobicContact CZ-CD2 3.9Å; F91-L195 HydrophobicContact CZ-CG 4.23Å; L98-L195 HydrophobicContact CD2-CD2 3.7Å; V103-L195 HydrophobicContact CB-CB 4.5Å; V103-L195 HydrophobicContact CG1-CB 3.96Å; V103-L195 HydrophobicContact CG2-CB 4.25Å; V103-L195 VanDerWaalsContact CG2-O 3.22Å; V103-L195 WeakPolarHBondContact CG2-O 3.29Å; F106-L195 HydrophobicContact CB-CD1 4.12Å; F106-L195 HydrophobicContact CB-CD2 4.24Å; F106-L195 HydrophobicContact CD2-CD2 3.87Å; I191-L195 HydrophobicContact CG2-CD1 4.18Å; I191-L195 HydrophobicContact CG2-CG 4.38Å; I191-L195 WeakPolarHBondContact O-CG 3.18Å; I191-L195 PolarHBondContact O-N 3.29Å; F192-L195 PolarHBondContact O-N 3.48Å; L195-N197 VanDerWaalsContact C-N 3.26Å; L195-N197 PolarHBondContact O-N 3.4Å
196A95.7Very high96.4Very high0 Ų026.3 Ų26.30%014%0.138CC..THydrogen-bonded Turntrans-86.19.2-17500000115V103 F192 E194 V252 K254 L255V103-A196 HydrophobicContact CG1-CB 4.11Å; F192-A196 WeakPolarHBondContact O-CB 3.48Å; F192-A196 PolarHBondContact O-N 3.19Å; E194-A196 VanDerWaalsContact C-N 3.3Å; E194-A196 PolarHBondContact O-N 2.96Å; A196-V252 HydrophobicContact CB-CB 4.15Å; A196-V252 HydrophobicContact CB-CG1 4.19Å; A196-K254 HydrophobicContact CB-CB 4.35Å; A196-K254 VanDerWaalsContact O-CB 3.3Å; A196-K254 WeakPolarHBondContact O-CB 3.34Å; A196-K254 WeakPolarHBondContact O-CG 3.41Å; A196-K254 PolarHBondContact O-N 3.26Å; A196-L255 HydrophobicContact CB-CD1 3.97Å; A196-L255 HydrophobicContact CB-CD2 3.58Å; A196-L255 HydrophobicContact CB-CG 3.5Å
197N92Very high96.3Very high54 Ų5430.3 Ų30.329%0.28916%0.16SC..THydrogen-bonded Turntrans-126.9-118.5174.3-171.1-1.9000109.8A193 E194 L195 V251 K254A193-N197 WeakPolarHBondContact O-CB 3.43Å; A193-N197 PolarHBondContact O-N 3.1Å; E194-N197 PolarHBondContact O-N 3.48Å; L195-N197 VanDerWaalsContact C-N 3.26Å; L195-N197 PolarHBondContact O-N 3.4Å; N197-V251 PolarHBondContact ND2-O 3Å; N197-K254 PolarHBondContact O-NZ 3.12Å
198A90.1Very high96.3Very high41 Ų4133.2 Ų33.234%0.33918%0.178SC..THydrogen-bonded Turntrans-120.927.3-173.200000112.1G96 R200G96-A198 CarbonylContact O-C 3.59Å; G96-A198 WeakPolarHBondContact O-CA 3.49Å; A198-R200 PolarHBondContact O-N 2.92Å
199G89.9Confident96.2Very high5 Ų535.1 Ų35.15%0.05219%0.188CC..SBendtrans63.127.1-17700000113.9E194E194-G199 WeakPolarHBondContact O-CA 3.37Å; E194-G199 PolarHBondContact O-N 3.1Å
200R93.5Very high96.2Very high189 Ų18936.5 Ų36.571%0.71320%0.195SC*.  trans-107.4135.9179.4-66.1-170.2-177.6-164.50.7110.3E194 A198 L202E194-R200 WeakPolarHBondContact CG-O 3.35Å; A198-R200 PolarHBondContact O-N 2.92Å; R200-L202 PolarHBondContact O-N 2.72Å
201P96.6Very high96.2Very high36 Ų3636.5 Ų36.523%0.23420%0.195CC..  trans-53.2133.2178.4-26.633.5000113W166 E194 P204W166-P201 HydrophobicContact CD2-CB 4.44Å; W166-P201 HydrophobicContact CE3-CB 3.86Å; W166-P201 HydrophobicContact CE3-CG 3.55Å; W166-P201 HydrophobicContact CZ3-CB 4.38Å; W166-P201 HydrophobicContact CZ3-CG 3.65Å; E194-P201 WeakPolarHBondContact OE1-CA 3.42Å; P201-P204 HydrophobicContact CB-CB 4.31Å
202L97.1Very high96.2Very high32 Ų3236.5 Ų36.517%0.16820%0.195CC..SBendtrans-66.2-38.9179.5-175.261.7000112A193 R200 L218 V251 L267A193-L202 HydrophobicContact CB-CB 4.1Å; A193-L202 HydrophobicContact CB-CD1 4.12Å; A193-L202 HydrophobicContact CB-CD2 3.66Å; A193-L202 HydrophobicContact CB-CG 4.18Å; R200-L202 PolarHBondContact O-N 2.72Å; L202-L218 HydrophobicContact CD1-CD2 3.68Å; L202-L218 HydrophobicContact CD2-CD2 4.09Å; L202-L218 HydrophobicContact CG-CD2 4Å; L202-V251 HydrophobicContact CD1-CG1 3.45Å; L202-V251 VanDerWaalsContact CD1-CG1 3.45Å; L202-L267 HydrophobicContact CD2-CD1 3.63Å
203F97.8Very high96.2Very high3 Ų339.6 Ų39.61%0.01321%0.209CC..  trans-129.576.9-176.4-52.8-59.6000111.1W166 W186 G205 Q211 R214 I215 L218 L219 L267W166-F203 WeakPolarHBondContact CA-O 3.19Å; W166-F203 WeakPolarHBondContact CB-O 3.3Å; W186-F203 HydrophobicContact CH2-CE2 4.32Å; W186-F203 HydrophobicContact CZ2-CD2 4.17Å; W186-F203 AromaticContact CZ2-CE2 3.71Å; W186-F203 HydrophobicContact CZ2-CE2 3.71Å; W186-F203 HydrophobicContact CZ2-CZ 4.5Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.09Å; F203-Q211 PolarHBondContact O-NE2 3.5Å; F203-Q211 VanDerWaalsContact O-NE2 3.07Å; F203-Q211 PolarHBondContact O-OE1 3.4Å; F203-R214 HydrophobicContact CD1-CB 4.22Å; F203-I215 HydrophobicContact CB-CG1 4.35Å; F203-I215 HydrophobicContact CD1-CG1 3.93Å; F203-I215 HydrophobicContact CD2-CG1 3.88Å; F203-I215 HydrophobicContact CE1-CB 4.44Å; F203-I215 HydrophobicContact CE1-CG1 4.13Å; F203-I215 HydrophobicContact CE2-CG1 4.08Å; F203-I215 HydrophobicContact CG-CG1 3.8Å; F203-I215 HydrophobicContact CZ-CG1 4.2Å; F203-L218 HydrophobicContact CE1-CB 3.97Å; F203-L218 HydrophobicContact CE1-CD2 3.53Å; F203-L218 HydrophobicContact CE1-CG 4.34Å; F203-L218 HydrophobicContact CZ-CD2 3.82Å; F203-L219 HydrophobicContact CZ-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CG 4.31Å; F203-L267 HydrophobicContact CE2-CD2 4.48Å
204P97.4Very high96.2Very high45 Ų4543.2 Ų43.229%0.29222%0.221SC..  trans-84.370.6179.133.5-33.4000110.9W166 P201 R214W166-P204 HydrophobicContact CD2-CB 4.46Å; W166-P204 HydrophobicContact CZ2-CB 4.46Å; P201-P204 HydrophobicContact CB-CB 4.31Å; P204-R214 PolarHBondContact O-NE 3.07Å
205G97.8Very high96.2Very high2 Ų243.1 Ų43.12%0.02122%0.221CC..  trans-73.5145.9175.800000112.9L165 W166 F203 D210L165-G205 WeakPolarHBondContact CD2-O 3.4Å; W166-G205 PolarHBondContact NE1-O 3.06Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.09Å; G205-D210 WeakPolarHBondContact CA-OD2 3.4Å
206N96.6Very high96.3Very high136 Ų13643.1 Ų43.173%0.72722%0.221SC*.SBendtrans-83.6-29176.2-62.9-59.7000113D210N206-D210 PolarHBondContact N-OD2 3.14Å; N206-D210 VanDerWaalsContact N-OD2 3.12Å; N206-D210 PolarHBondContact ND2-OD2 3.34Å
207D96.7Very high96.3Very high85 Ų8549.2 Ų49.246%0.45524%0.244SC..SBendtrans-148.6179.3177.258.749.3000109.4D209 D210 Q211D207-D209 PolarHBondContact O-N 3.35Å; D207-D209 WeakPolarHBondContact OD1-CA 3.48Å; D207-D209 WeakPolarHBondContact OD1-CB 3.37Å; D207-D209 PolarHBondContact OD1-N 3.39Å; D207-D210 PolarHBondContact O-N 3.28Å; D207-D210 PolarHBondContact OD1-N 3.33Å; D207-Q211 VanDerWaalsContact O-CB 3.27Å; D207-Q211 WeakPolarHBondContact O-CB 3.28Å; D207-Q211 PolarHBondContact O-N 3.44Å
208V96.8Very high96.5Very high61 Ų6148 Ų4837%0.3724%0.237SC..Hα-helixtrans-59.6-36-179.1173.70000112.1L165 L173 L212L165-V208 HydrophobicContact CD1-CG2 4.3Å; L173-V208 HydrophobicContact CB-CG1 4.28Å; L173-V208 HydrophobicContact CD2-CB 4.4Å; L173-V208 HydrophobicContact CD2-CG1 3.97Å; L173-V208 HydrophobicContact CD2-CG2 4.26Å; L173-V208 WeakPolarHBondContact O-CG1 3.45Å; V208-L212 HydrophobicContact CG1-CD1 4.19Å; V208-L212 PolarHBondContact O-N 3.18Å; V208-L212 VanDerWaalsContact O-N 3.1Å
209D97.8Very high96.8Very high40 Ų4047.8 Ų47.821%0.21423%0.23CC..Hα-helixtrans-72.3-46-177.6-176.669.7000112.2D207 Q211 L212 K213 K237 Y239D207-D209 PolarHBondContact O-N 3.35Å; D207-D209 WeakPolarHBondContact OD1-CA 3.48Å; D207-D209 WeakPolarHBondContact OD1-CB 3.37Å; D207-D209 PolarHBondContact OD1-N 3.39Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-L212 PolarHBondContact O-N 3.42Å; D209-K213 WeakPolarHBondContact O-CG 3.47Å; D209-K213 PolarHBondContact O-N 2.98Å; D209-K213 WeakPolarHBondContact OD2-CE 3.45Å; D209-K213 IonicContact OD2-NZ 3.93Å; D209-K213 PolarHBondContact OD2-NZ 3.25Å; D209-K237 WeakPolarHBondContact OD1-CE 3.4Å; D209-K237 IonicContact OD1-NZ 3.63Å; D209-K237 PolarHBondContact OD1-NZ 3.36Å; D209-Y239 WeakPolarHBondContact OD1-CE1 3.34Å; D209-Y239 PolarHBondContact OD1-OH 2.82Å
210D98.1Very high97.1Very high29 Ų2947.8 Ų47.816%0.15523%0.23CC..Hα-helixtrans-63.9-39.4174.4-173.136.6000111.2G205 N206 D207 K213 R214G205-D210 WeakPolarHBondContact CA-OD2 3.4Å; N206-D210 PolarHBondContact N-OD2 3.14Å; N206-D210 VanDerWaalsContact N-OD2 3.12Å; N206-D210 PolarHBondContact ND2-OD2 3.34Å; D207-D210 PolarHBondContact O-N 3.28Å; D207-D210 PolarHBondContact OD1-N 3.33Å; D210-K213 PolarHBondContact O-N 3.49Å; D210-R214 VanDerWaalsContact O-CG 3.29Å; D210-R214 WeakPolarHBondContact O-CG 3.3Å; D210-R214 PolarHBondContact O-N 3.49Å; D210-R214 IonicContact OD1-CZ 2.76Å; D210-R214 IonicContact OD1-NE 3.63Å; D210-R214 PolarHBondContact OD1-NE 3.35Å; D210-R214 IonicContact OD1-NH2 3.98Å; D210-R214 IonicContact OD2-CZ 2.76Å; D210-R214 IonicContact OD2-NE 3.31Å; D210-R214 PolarHBondContact OD2-NE 2.93Å; D210-R214 IonicContact OD2-NH2 3.4Å; D210-R214 PolarHBondContact OD2-NH2 3.16Å
211Q98.2Very high97.3Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-58.3-51.4176.4-17266.621.500111.5L165 W166 L173 F203 D207 D209 K213 R214 I215L165-Q211 HydrophobicContact CD1-CB 3.97Å; L165-Q211 HydrophobicContact CD1-CG 4.03Å; L165-Q211 HydrophobicContact CG-CB 4.3Å; L165-Q211 HydrophobicContact CG-CG 4.28Å; L165-Q211 PolarHBondContact O-NE2 3.26Å; W166-Q211 PolarHBondContact O-NE2 3.24Å; L173-Q211 HydrophobicContact CD1-CB 4.3Å; L173-Q211 HydrophobicContact CD1-CG 3.58Å; L173-Q211 HydrophobicContact CD2-CB 4.24Å; L173-Q211 HydrophobicContact CD2-CG 3.98Å; L173-Q211 HydrophobicContact CG-CG 4.47Å; F203-Q211 PolarHBondContact O-NE2 3.5Å; F203-Q211 VanDerWaalsContact O-NE2 3.07Å; F203-Q211 PolarHBondContact O-OE1 3.4Å; D207-Q211 VanDerWaalsContact O-CB 3.27Å; D207-Q211 WeakPolarHBondContact O-CB 3.28Å; D207-Q211 PolarHBondContact O-N 3.44Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; Q211-K213 PolarHBondContact O-N 2.92Å; Q211-R214 PolarHBondContact O-N 3.09Å; Q211-I215 HydrophobicContact CG-CD1 4.18Å; Q211-I215 VanDerWaalsContact O-CG1 3.31Å; Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 3.3Å; Q211-I215 VanDerWaalsContact O-N 3.09Å
212L98.4Very high97.3Very high1 Ų138.1 Ų38.11%0.00519%0.191CC..Hα-helixtrans-61.6-43.2177.4-78.3166.5000111.9P170 L173 F174 V208 D209 R214 I215 F216 Y239P170-L212 HydrophobicContact CB-CD2 4.2Å; L173-L212 HydrophobicContact CB-CD1 4.06Å; L173-L212 HydrophobicContact CB-CD2 3.81Å; L173-L212 HydrophobicContact CB-CG 3.88Å; L173-L212 HydrophobicContact CD1-CD2 3.96Å; L173-L212 HydrophobicContact CD1-CG 4.07Å; F174-L212 HydrophobicContact CD1-CD1 3.97Å; F174-L212 HydrophobicContact CD2-CD2 4.28Å; F174-L212 HydrophobicContact CE1-CD1 3.77Å; F174-L212 HydrophobicContact CE2-CD2 3.97Å; F174-L212 HydrophobicContact CZ-CD1 4.1Å; F174-L212 HydrophobicContact CZ-CD2 4.1Å; V208-L212 HydrophobicContact CG1-CD1 4.19Å; V208-L212 PolarHBondContact O-N 3.18Å; V208-L212 VanDerWaalsContact O-N 3.1Å; D209-L212 PolarHBondContact O-N 3.42Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.11Å; L212-I215 PolarHBondContact O-N 3.16Å; L212-F216 HydrophobicContact CB-CE2 4.02Å; L212-F216 HydrophobicContact CD2-CE1 4.46Å; L212-F216 HydrophobicContact CD2-CE2 3.98Å; L212-F216 HydrophobicContact CD2-CZ 3.65Å; L212-F216 VanDerWaalsContact O-CD2 3.24Å; L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 VanDerWaalsContact O-CG 3.31Å; L212-F216 WeakPolarHBondContact O-CG 3.43Å; L212-F216 PolarHBondContact O-N 3.35Å; L212-Y239 HydrophobicContact CB-CD1 4.39Å; L212-Y239 HydrophobicContact CB-CE1 3.66Å; L212-Y239 HydrophobicContact CB-CE2 4.26Å; L212-Y239 HydrophobicContact CD1-CE2 3.81Å; L212-Y239 VanDerWaalsContact CD1-OH 3.26Å; L212-Y239 WeakPolarHBondContact CD1-OH 3.45Å
213K98Very high97.3Very high65 Ų6539.1 Ų39.128%0.28320%0.199SC..Hα-helixtrans-58.5-43.3176-79.7166.5-179.5169.80112.4D209 D210 Q211 R217 Y239D209-K213 WeakPolarHBondContact O-CG 3.47Å; D209-K213 PolarHBondContact O-N 2.98Å; D209-K213 WeakPolarHBondContact OD2-CE 3.45Å; D209-K213 IonicContact OD2-NZ 3.93Å; D209-K213 PolarHBondContact OD2-NZ 3.25Å; D210-K213 PolarHBondContact O-N 3.49Å; Q211-K213 PolarHBondContact O-N 2.92Å; K213-R217 WeakPolarHBondContact O-CB 3.5Å; K213-R217 PolarHBondContact O-N 2.82Å; K213-Y239 HydrophobicContact CG-CD1 3.94Å; K213-Y239 HydrophobicContact CG-CE1 3.85Å
214R97.6Very high97.1Very high80 Ų8045.5 Ų45.530%0.30223%0.229SC..Hα-helixtrans-64.4-43.8178.5-73169.5-177.2-86.11.8111.7F203 P204 D210 Q211 L212 L218F203-R214 HydrophobicContact CD1-CB 4.22Å; P204-R214 PolarHBondContact O-NE 3.07Å; D210-R214 VanDerWaalsContact O-CG 3.29Å; D210-R214 WeakPolarHBondContact O-CG 3.3Å; D210-R214 PolarHBondContact O-N 3.49Å; D210-R214 IonicContact OD1-CZ 2.76Å; D210-R214 IonicContact OD1-NE 3.63Å; D210-R214 PolarHBondContact OD1-NE 3.35Å; D210-R214 IonicContact OD1-NH2 3.98Å; D210-R214 IonicContact OD2-CZ 2.76Å; D210-R214 IonicContact OD2-NE 3.31Å; D210-R214 PolarHBondContact OD2-NE 2.93Å; D210-R214 IonicContact OD2-NH2 3.4Å; D210-R214 PolarHBondContact OD2-NH2 3.16Å; Q211-R214 PolarHBondContact O-N 3.09Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.11Å; R214-L218 PolarHBondContact O-N 2.94Å
215I97.9Very high97Very high0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-58.7-53.9176.7-68.2167.4000110.1P170 L173 W186 F203 Q211 L212 R217 L218 L219P170-I215 HydrophobicContact CG-CD1 4.21Å; P170-I215 HydrophobicContact CG-CG2 4Å; L173-I215 HydrophobicContact CD1-CD1 3.7Å; W186-I215 HydrophobicContact CH2-CD1 4.35Å; W186-I215 HydrophobicContact CH2-CG1 4.39Å; W186-I215 HydrophobicContact CH2-CG2 3.59Å; W186-I215 HydrophobicContact CZ2-CD1 3.68Å; W186-I215 HydrophobicContact CZ2-CG1 3.89Å; W186-I215 HydrophobicContact CZ2-CG2 3.97Å; F203-I215 HydrophobicContact CB-CG1 4.35Å; F203-I215 HydrophobicContact CD1-CG1 3.93Å; F203-I215 HydrophobicContact CD2-CG1 3.88Å; F203-I215 HydrophobicContact CE1-CB 4.44Å; F203-I215 HydrophobicContact CE1-CG1 4.13Å; F203-I215 HydrophobicContact CE2-CG1 4.08Å; F203-I215 HydrophobicContact CG-CG1 3.8Å; F203-I215 HydrophobicContact CZ-CG1 4.2Å; Q211-I215 HydrophobicContact CG-CD1 4.18Å; Q211-I215 VanDerWaalsContact O-CG1 3.31Å; Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 3.3Å; Q211-I215 VanDerWaalsContact O-N 3.09Å; L212-I215 PolarHBondContact O-N 3.16Å; I215-R217 PolarHBondContact O-N 2.92Å; I215-L218 PolarHBondContact O-N 3.39Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 PolarHBondContact O-N 3Å
216F97.8Very high96.9Very high1 Ų156.1 Ų56.10%0.00427%0.274CS..Hα-helixtrans-70.1-33-175.6-58-33.1000113.4P170 F174 L212 L218 G220 T221 P222 Y239 Y242P170-F216 HydrophobicContact CB-CE1 4.5Å; F174-F216 HydrophobicContact CE2-CE2 4.35Å; F174-F216 AromaticContact CE2-CZ 3.73Å; F174-F216 HydrophobicContact CE2-CZ 3.73Å; F174-F216 HydrophobicContact CZ-CE2 4.01Å; F174-F216 AromaticContact CZ-CZ 3.86Å; F174-F216 HydrophobicContact CZ-CZ 3.86Å; L212-F216 HydrophobicContact CB-CE2 4.02Å; L212-F216 HydrophobicContact CD2-CE1 4.46Å; L212-F216 HydrophobicContact CD2-CE2 3.98Å; L212-F216 HydrophobicContact CD2-CZ 3.65Å; L212-F216 VanDerWaalsContact O-CD2 3.24Å; L212-F216 WeakPolarHBondContact O-CD2 3.42Å; L212-F216 VanDerWaalsContact O-CG 3.31Å; L212-F216 WeakPolarHBondContact O-CG 3.43Å; L212-F216 PolarHBondContact O-N 3.35Å; F216-L218 PolarHBondContact O-N 3.27Å; F216-G220 CarbonylContact O-C 3.29Å; F216-G220 VanDerWaalsContact O-C 3.29Å; F216-G220 WeakPolarHBondContact O-CA 3.25Å; F216-G220 PolarHBondContact O-N 3.1Å; F216-T221 HydrophobicContact CD2-CG2 4.46Å; F216-T221 HydrophobicContact CG-CG2 4.48Å; F216-P222 HydrophobicContact CE1-CG 4.24Å; F216-Y239 HydrophobicContact CD2-CD1 4.01Å; F216-Y239 AromaticContact CD2-CG 3.88Å; F216-Y239 HydrophobicContact CD2-CG 3.88Å; F216-Y239 HydrophobicContact CE2-CD1 4.11Å; F216-Y239 AromaticContact CE2-CD2 3.92Å; F216-Y239 HydrophobicContact CE2-CD2 3.92Å; F216-Y239 HydrophobicContact CE2-CE2 4.5Å; F216-Y239 AromaticContact CE2-CG 3.72Å; F216-Y239 HydrophobicContact CE2-CG 3.72Å; F216-Y242 HydrophobicContact CB-CD2 3.58Å; F216-Y242 HydrophobicContact CB-CE2 4.13Å; F216-Y242 WeakPolarHBondContact O-CB 3.48Å
217R96.1Very high97Very high129 Ų12949.8 Ų49.849%0.48724%0.24SC..Hα-helixtrans-61.6-33.6174.6-170.3179.2-62.3141.63.5111.9K213 I215 Y242 T246K213-R217 WeakPolarHBondContact O-CB 3.5Å; K213-R217 PolarHBondContact O-N 2.82Å; I215-R217 PolarHBondContact O-N 2.92Å; R217-Y242 HydrophobicContact CB-CD1 4.27Å; R217-Y242 HydrophobicContact CB-CE1 4.4Å; R217-Y242 HydrophobicContact CB-CG 4.37Å; R217-Y242 HydrophobicContact CG-CD1 4.27Å; R217-Y242 HydrophobicContact CG-CE1 4.4Å; R217-T246 PolarHBondContact O-OG1 3.49Å
218L95.8Very high97Very high27 Ų2749.1 Ų49.114%0.14124%0.24CC..Hα-helixtrans-84.9-48.2178.3-177.262.7000112.8L202 F203 R214 I215 F216 T246 L248 V251L202-L218 HydrophobicContact CD1-CD2 3.68Å; L202-L218 HydrophobicContact CD2-CD2 4.09Å; L202-L218 HydrophobicContact CG-CD2 4Å; F203-L218 HydrophobicContact CE1-CB 3.97Å; F203-L218 HydrophobicContact CE1-CD2 3.53Å; F203-L218 HydrophobicContact CE1-CG 4.34Å; F203-L218 HydrophobicContact CZ-CD2 3.82Å; R214-L218 PolarHBondContact O-N 2.94Å; I215-L218 PolarHBondContact O-N 3.39Å; F216-L218 PolarHBondContact O-N 3.27Å; L218-T246 HydrophobicContact CD1-CG2 3.89Å; L218-T246 WeakPolarHBondContact O-CB 3.37Å; L218-L248 HydrophobicContact CD1-CD2 4.05Å; L218-L248 HydrophobicContact CD2-CD2 4.27Å; L218-L248 HydrophobicContact CG-CD2 4.18Å; L218-V251 HydrophobicContact CD1-CG2 3.81Å; L218-V251 HydrophobicContact CD2-CG1 4.29Å
219L96.6Very high97Very high38 Ų3849 Ų4920%0.19924%0.242CC..Hα-helixtrans-96.2-5.6-169.3-57.7-179000113.9W186 F203 I215 L267W186-L219 HydrophobicContact CH2-CD1 3.65Å; W186-L219 HydrophobicContact CZ3-CD1 4.14Å; F203-L219 HydrophobicContact CZ-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CG 4.31Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 PolarHBondContact O-N 3Å; L219-L267 HydrophobicContact CD1-CB 4.01Å; L219-L267 WeakPolarHBondContact CD1-O 3.45Å
220G96.5Very high96.9Very high4 Ų447.8 Ų47.84%0.04124%0.235CC..  trans83.4156.1-166.300000112F216 Y242F216-G220 CarbonylContact O-C 3.29Å; F216-G220 VanDerWaalsContact O-C 3.29Å; F216-G220 WeakPolarHBondContact O-CA 3.25Å; F216-G220 PolarHBondContact O-N 3.1Å; G220-Y242 WeakPolarHBondContact CA-O 3.04Å
221T97.8Very high96.8Very high12 Ų1249.1 Ų49.17%0.07425%0.245CC..PPolyproline II helixtrans-85.1123.8175.2-50.10000109.4F216 T223 P240 M241 Y242F216-T221 HydrophobicContact CD2-CG2 4.46Å; F216-T221 HydrophobicContact CG-CG2 4.48Å; T221-T223 PolarHBondContact O-N 3.27Å; T221-P240 PolarHBondContact OG1-O 2.94Å; T221-M241 HydrophobicContact CG2-CE 4.43Å; T221-M241 HydrophobicContact CG2-SD 3.66Å; T221-Y242 PolarHBondContact N-O 3.49Å; T221-Y242 WeakPolarHBondContact OG1-CD2 3.3Å; T221-Y242 PolarHBondContact OG1-N 3.09Å
222P97.2Very high96.7Very high10 Ų1057.2 Ų57.27%0.06528%0.28CS..PPolyproline II helixtrans-57.8131.6179.8-24.734.9000111.4F216 W227 M230 C269F216-P222 HydrophobicContact CE1-CG 4.24Å; P222-W227 HydrophobicContact CB-CB 4.11Å; P222-W227 HydrophobicContact CB-CE3 4.17Å; P222-W227 HydrophobicContact CG-CE3 4.05Å; P222-M230 HydrophobicContact CB-SD 4.13Å; P222-M230 HydrophobicContact CG-SD 4.31Å; P222-M230 WeakPolarHBondContact O-CE 3.49Å; P222-C269 HydrophobicContact CG-CB 3.47Å; P222-C269 VanDerWaalsContact CG-CB 3.47Å
223T96.1Very high96.6Very high53 Ų5358.6 Ų58.633%0.32529%0.287SS..PPolyproline II helixtrans-77.7164169.866.70000110.6T221 E225 Q226 W227 M241T221-T223 PolarHBondContact O-N 3.27Å; T223-E225 PolarHBondContact O-N 3.29Å; T223-Q226 PolarHBondContact O-N 2.99Å; T223-Q226 VanDerWaalsContact O-N 3.09Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.12Å; T223-Q226 PolarHBondContact OG1-N 3.2Å; T223-Q226 PolarHBondContact OG1-OE1 2.92Å; T223-W227 PolarHBondContact O-N 3.45Å; T223-M241 HydrophobicContact CG2-CE 4.16Å
224E94.4Very high96.5Very high138 Ų13859.4 Ų59.465%0.64530%0.299SS*.THydrogen-bonded Turntrans-61.2-29175.1-167.8170.8-177.600112.2W227 P228E224-W227 CarbonylContact O-C 3.53Å; E224-P228 WeakPolarHBondContact O-CA 3.36Å; E224-P228 WeakPolarHBondContact O-CD 3.13Å; E224-P228 VanDerWaalsContact O-CG 3.25Å; E224-P228 WeakPolarHBondContact O-CG 3Å; E224-P228 VanDerWaalsContact O-N 3.08Å
225E95.7Very high96.4Very high178 Ų17860.1 Ų60.183%0.83231%0.308SS*.THydrogen-bonded Turntrans-66.7-42.5172.6-174.6-177.7179.500112.1T223T223-E225 PolarHBondContact O-N 3.29Å
226Q95.8Very high96.4Very high91 Ų9163.7 Ų63.743%0.42532%0.323SS..THydrogen-bonded Turntrans-74.5-32.9-179.1-68167-25.600112.4T223 N270 Q273T223-Q226 PolarHBondContact O-N 2.99Å; T223-Q226 VanDerWaalsContact O-N 3.09Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.12Å; T223-Q226 PolarHBondContact OG1-N 3.2Å; T223-Q226 PolarHBondContact OG1-OE1 2.92Å; Q226-N270 PolarHBondContact O-ND2 3.3Å; Q226-Q273 PolarHBondContact O-NE2 3.05Å
227W97.4Very high96.3Very high4 Ų468.1 Ų68.12%0.01534%0.342CS..  trans-143.378.7179.4-166.42.8000112.8P170 D171 F174 P222 T223 E224 S229 M230 L233 C269 N270P170-W227 HydrophobicContact CB-CH2 3.98Å; P170-W227 HydrophobicContact CB-CZ3 3.87Å; D171-W227 HydrophobicContact CB-CH2 3.81Å; D171-W227 HydrophobicContact CB-CZ2 3.63Å; F174-W227 HydrophobicContact CD2-CH2 4.06Å; F174-W227 HydrophobicContact CD2-CZ3 4.29Å; F174-W227 HydrophobicContact CE2-CZ3 4.32Å; P222-W227 HydrophobicContact CB-CB 4.11Å; P222-W227 HydrophobicContact CB-CE3 4.17Å; P222-W227 HydrophobicContact CG-CE3 4.05Å; T223-W227 PolarHBondContact O-N 3.45Å; E224-W227 CarbonylContact O-C 3.53Å; W227-S229 PolarHBondContact NE1-OG 3Å; W227-S229 VanDerWaalsContact NE1-OG 3.15Å; W227-S229 PolarHBondContact O-N 3.2Å; W227-S229 VanDerWaalsContact O-N 3.1Å; W227-M230 HydrophobicContact CB-CB 4.17Å; W227-M230 HydrophobicContact CD2-CB 3.62Å; W227-M230 HydrophobicContact CD2-CG 4Å; W227-M230 HydrophobicContact CD2-SD 4.37Å; W227-M230 HydrophobicContact CE3-CB 3.88Å; W227-M230 HydrophobicContact CE3-CG 3.73Å; W227-M230 HydrophobicContact CE3-SD 3.66Å; W227-M230 HydrophobicContact CG-CB 3.75Å; W227-M230 HydrophobicContact CH2-CG 4.38Å; W227-M230 HydrophobicContact CZ3-CB 4.47Å; W227-M230 HydrophobicContact CZ3-CG 3.94Å; W227-M230 HydrophobicContact CZ3-SD 3.98Å; W227-M230 VanDerWaalsContact O-CB 3.32Å; W227-M230 WeakPolarHBondContact O-CB 3.32Å; W227-M230 PolarHBondContact O-N 3.4Å; W227-M230 VanDerWaalsContact O-N 3.09Å; W227-L233 HydrophobicContact CH2-CD1 3.97Å; W227-L233 HydrophobicContact CZ2-CD1 3.55Å; W227-C269 HydrophobicContact CE3-CB 4.22Å; W227-C269 HydrophobicContact CZ3-CB 4.22Å; W227-N270 HydrophobicContact CB-CB 4.04Å; W227-N270 HydrophobicContact CD2-CB 4.16Å; W227-N270 HydrophobicContact CG-CB 3.82Å
228P96.9Very high96.3Very high71 Ų7167.3 Ų67.346%0.46135%0.353SS..THydrogen-bonded Turntrans-64-21-173.3-22.631.3000115.4E224E224-P228 WeakPolarHBondContact O-CA 3.36Å; E224-P228 WeakPolarHBondContact O-CD 3.13Å; E224-P228 VanDerWaalsContact O-CG 3.25Å; E224-P228 WeakPolarHBondContact O-CG 3Å; E224-P228 VanDerWaalsContact O-N 3.08Å
229S96.1Very high96.4Very high59 Ų5967.2 Ų67.241%0.41335%0.351SS..THydrogen-bonded Turntrans-92.7-5.4179.656.80000113.9W227 T231 K232W227-S229 PolarHBondContact NE1-OG 3Å; W227-S229 VanDerWaalsContact NE1-OG 3.15Å; W227-S229 PolarHBondContact O-N 3.2Å; W227-S229 VanDerWaalsContact O-N 3.1Å; S229-T231 PolarHBondContact O-N 2.94Å; S229-K232 PolarHBondContact O-N 3.28Å; S229-K232 VanDerWaalsContact O-N 3.1Å
230M96.9Very high96.4Very high13 Ų1368.6 Ų68.66%0.06436%0.362CS..G310 helixtrans-57.2-47-175.4-173.7177.862.400112.3F174 P222 W227 K232 L233 Y236F174-M230 HydrophobicContact CD2-CG 4.3Å; F174-M230 HydrophobicContact CE2-CG 3.95Å; F174-M230 HydrophobicContact CE2-SD 4.02Å; P222-M230 HydrophobicContact CB-SD 4.13Å; P222-M230 HydrophobicContact CG-SD 4.31Å; P222-M230 WeakPolarHBondContact O-CE 3.49Å; W227-M230 HydrophobicContact CB-CB 4.17Å; W227-M230 HydrophobicContact CD2-CB 3.62Å; W227-M230 HydrophobicContact CD2-CG 4Å; W227-M230 HydrophobicContact CD2-SD 4.37Å; W227-M230 HydrophobicContact CE3-CB 3.88Å; W227-M230 HydrophobicContact CE3-CG 3.73Å; W227-M230 HydrophobicContact CE3-SD 3.66Å; W227-M230 HydrophobicContact CG-CB 3.75Å; W227-M230 HydrophobicContact CH2-CG 4.38Å; W227-M230 HydrophobicContact CZ3-CB 4.47Å; W227-M230 HydrophobicContact CZ3-CG 3.94Å; W227-M230 HydrophobicContact CZ3-SD 3.98Å; W227-M230 VanDerWaalsContact O-CB 3.32Å; W227-M230 WeakPolarHBondContact O-CB 3.32Å; W227-M230 PolarHBondContact O-N 3.4Å; W227-M230 VanDerWaalsContact O-N 3.09Å; M230-K232 PolarHBondContact O-N 3.14Å; M230-K232 VanDerWaalsContact O-N 3.14Å; M230-L233 WeakPolarHBondContact O-CB 3.48Å; M230-L233 PolarHBondContact O-N 3.11Å; M230-Y236 HydrophobicContact CE-CE2 4.05Å; M230-Y236 HydrophobicContact CG-CD2 4.06Å; M230-Y236 HydrophobicContact CG-CE2 4.04Å; M230-Y236 WeakPolarHBondContact O-CD2 3.21Å; M230-Y236 HydrophobicContact SD-CE2 4.44Å
231T96.4Very high96.4Very high58 Ų5874.5 Ų74.536%0.35639%0.39SS..G310 helixtrans-68.1-11-177.955.30000113.7S229 Y236S229-T231 PolarHBondContact O-N 2.94Å; T231-Y236 HydrophobicContact CG2-CE1 3.92Å; T231-Y236 HydrophobicContact CG2-CE2 4.31Å
232K96.4Very high96.3Very high170 Ų17076.2 Ų76.274%0.73940%0.396SS*.G310 helixtrans-100.7-0.2-178.7-55.5177.9-174.41750112.7S229 M230S229-K232 PolarHBondContact O-N 3.28Å; S229-K232 VanDerWaalsContact O-N 3.1Å; M230-K232 PolarHBondContact O-N 3.14Å; M230-K232 VanDerWaalsContact O-N 3.14Å
233L95.9Very high96.1Very high30 Ų3079.5 Ų79.516%0.15742%0.417CS..SBendtrans-73.6147.6179.6-70170.9000111.4F174 A176 W227 M230 D235 Y236F174-L233 HydrophobicContact CB-CB 3.86Å; F174-L233 HydrophobicContact CB-CD1 3.57Å; F174-L233 HydrophobicContact CB-CG 4.34Å; F174-L233 HydrophobicContact CD2-CD1 4.18Å; F174-L233 HydrophobicContact CG-CD1 4.26Å; F174-L233 WeakPolarHBondContact O-CB 3.39Å; A176-L233 HydrophobicContact CB-CD2 3.88Å; W227-L233 HydrophobicContact CH2-CD1 3.97Å; W227-L233 HydrophobicContact CZ2-CD1 3.55Å; M230-L233 WeakPolarHBondContact O-CB 3.48Å; M230-L233 PolarHBondContact O-N 3.11Å; L233-D235 VanDerWaalsContact C-N 3.29Å; L233-D235 PolarHBondContact O-N 3.19Å; L233-Y236 WeakPolarHBondContact O-CB 3.41Å; L233-Y236 PolarHBondContact O-N 3.36Å; L233-Y236 VanDerWaalsContact O-N 3.11Å
234P95.3Very high95.8Very high81 Ų8180.7 Ų80.753%0.52643%0.432SS..THydrogen-bonded Turntrans-56.5-38.7-168.6-2937.5000115.1G175 K177G175-P234 WeakPolarHBondContact O-CG 3.4Å; K177-P234 HydrophobicContact CG-CG 4.49Å
235D96Very high95.1Very high95 Ų9579.8 Ų79.851%0.50844%0.437SS..THydrogen-bonded Turntrans-108.621.8-175.4-53.7-44.2000111.3F174 G175 L233F174-D235 PolarHBondContact O-N 3.23Å; G175-D235 WeakPolarHBondContact CA-OD2 3.41Å; L233-D235 VanDerWaalsContact C-N 3.29Å; L233-D235 PolarHBondContact O-N 3.19Å
236Y97.3Very high94.5Very high76 Ų7674.4 Ų74.430%0.29842%0.416SS..  trans-63.2136.6178.7175.2-99.3000111.8F174 M230 T231 L233F174-Y236 HydrophobicContact CD1-CD2 4.25Å; F174-Y236 AromaticContact CE1-CD2 3.87Å; F174-Y236 HydrophobicContact CE1-CD2 3.87Å; F174-Y236 HydrophobicContact CE1-CE2 4.49Å; F174-Y236 HydrophobicContact CZ-CD2 4.07Å; F174-Y236 HydrophobicContact CZ-CE2 4.38Å; M230-Y236 HydrophobicContact CE-CE2 4.05Å; M230-Y236 HydrophobicContact CG-CD2 4.06Å; M230-Y236 HydrophobicContact CG-CE2 4.04Å; M230-Y236 WeakPolarHBondContact O-CD2 3.21Å; M230-Y236 HydrophobicContact SD-CE2 4.44Å; T231-Y236 HydrophobicContact CG2-CE1 3.92Å; T231-Y236 HydrophobicContact CG2-CE2 4.31Å; L233-Y236 WeakPolarHBondContact O-CB 3.41Å; L233-Y236 PolarHBondContact O-N 3.36Å; L233-Y236 VanDerWaalsContact O-N 3.11Å
237K96Very high94.1Very high93 Ų9373.4 Ų73.440%0.40442%0.419SS..  trans-142.7154.1166.264.1-175.4-177.6177.90109.6D209 Y239D209-K237 WeakPolarHBondContact OD1-CE 3.4Å; D209-K237 IonicContact OD1-NZ 3.63Å; D209-K237 PolarHBondContact OD1-NZ 3.36Å; K237-Y239 HydrophobicContact CD-CE2 4.41Å; K237-Y239 WeakPolarHBondContact CE-OH 3.3Å; K237-Y239 HydrophobicContact CG-CD2 4.35Å; K237-Y239 HydrophobicContact CG-CE2 3.66Å; K237-Y239 WeakPolarHBondContact O-CD2 3.45Å
238P96.3Very high93.8Very high112 Ų11274 Ų7473%0.72742%0.423SS*.  trans-62137.1178.1-21.533.2000112.3
239Y97.1Very high93.6Very high25 Ų2573.5 Ų73.510%0.09842%0.418CS..  trans-116.1155.7172.2-81.9-96000110.7F174 D209 L212 K213 F216 K237F174-Y239 AromaticContact CE1-CD2 3.99Å; F174-Y239 HydrophobicContact CE1-CD2 3.99Å; F174-Y239 AromaticContact CE1-CE2 3.61Å; F174-Y239 HydrophobicContact CE1-CE2 3.61Å; F174-Y239 AromaticContact CZ-CD2 3.9Å; F174-Y239 HydrophobicContact CZ-CD2 3.9Å; F174-Y239 AromaticContact CZ-CE2 3.91Å; F174-Y239 HydrophobicContact CZ-CE2 3.91Å; D209-Y239 WeakPolarHBondContact OD1-CE1 3.34Å; D209-Y239 PolarHBondContact OD1-OH 2.82Å; L212-Y239 HydrophobicContact CB-CD1 4.39Å; L212-Y239 HydrophobicContact CB-CE1 3.66Å; L212-Y239 HydrophobicContact CB-CE2 4.26Å; L212-Y239 HydrophobicContact CD1-CE2 3.81Å; L212-Y239 VanDerWaalsContact CD1-OH 3.26Å; L212-Y239 WeakPolarHBondContact CD1-OH 3.45Å; K213-Y239 HydrophobicContact CG-CD1 3.94Å; K213-Y239 HydrophobicContact CG-CE1 3.85Å; F216-Y239 HydrophobicContact CD2-CD1 4.01Å; F216-Y239 AromaticContact CD2-CG 3.88Å; F216-Y239 HydrophobicContact CD2-CG 3.88Å; F216-Y239 HydrophobicContact CE2-CD1 4.11Å; F216-Y239 AromaticContact CE2-CD2 3.92Å; F216-Y239 HydrophobicContact CE2-CD2 3.92Å; F216-Y239 HydrophobicContact CE2-CE2 4.5Å; F216-Y239 AromaticContact CE2-CG 3.72Å; F216-Y239 HydrophobicContact CE2-CG 3.72Å; K237-Y239 HydrophobicContact CD-CE2 4.41Å; K237-Y239 WeakPolarHBondContact CE-OH 3.3Å; K237-Y239 HydrophobicContact CG-CD2 4.35Å; K237-Y239 HydrophobicContact CG-CE2 3.66Å; K237-Y239 WeakPolarHBondContact O-CD2 3.45Å
240P96.6Very high93.2Very high67 Ų6777.5 Ų77.544%0.43543%0.434SS..  trans-58.9140.4174.1-21.733.4000111.2T221 Y242T221-P240 PolarHBondContact OG1-O 2.94Å; P240-Y242 HydrophobicContact CB-CE1 4.33Å; P240-Y242 HydrophobicContact CB-CE2 3.94Å; P240-Y242 HydrophobicContact CG-CE2 4.24Å; P240-Y242 WeakPolarHBondContact O-CD2 3.34Å; P240-Y242 WeakPolarHBondContact O-CE2 3.01Å; P240-Y242 PolarHBondContact O-N 3.27Å; P240-Y242 VanDerWaalsContact O-N 3.09Å
241M96.3Very high93Very high128 Ų12878.3 Ų78.363%0.63144%0.44SS*.  trans-76.497.2175.9-67.7-58.6-65.200110.5T221 T223T221-M241 HydrophobicContact CG2-CE 4.43Å; T221-M241 HydrophobicContact CG2-SD 3.66Å; T223-M241 HydrophobicContact CG2-CE 4.16Å
242Y96.1Very high92.9Very high49 Ų4975.6 Ų75.619%0.19242%0.423CS..  trans-84.2139.8171.1-58.3-74.7000110.7F216 R217 G220 T221 P240F216-Y242 HydrophobicContact CB-CD2 3.58Å; F216-Y242 HydrophobicContact CB-CE2 4.13Å; F216-Y242 WeakPolarHBondContact O-CB 3.48Å; R217-Y242 HydrophobicContact CB-CD1 4.27Å; R217-Y242 HydrophobicContact CB-CE1 4.4Å; R217-Y242 HydrophobicContact CB-CG 4.37Å; R217-Y242 HydrophobicContact CG-CD1 4.27Å; R217-Y242 HydrophobicContact CG-CE1 4.4Å; G220-Y242 WeakPolarHBondContact CA-O 3.04Å; T221-Y242 PolarHBondContact N-O 3.49Å; T221-Y242 WeakPolarHBondContact OG1-CD2 3.3Å; T221-Y242 PolarHBondContact OG1-N 3.09Å; P240-Y242 HydrophobicContact CB-CE1 4.33Å; P240-Y242 HydrophobicContact CB-CE2 3.94Å; P240-Y242 HydrophobicContact CG-CE2 4.24Å; P240-Y242 WeakPolarHBondContact O-CD2 3.34Å; P240-Y242 WeakPolarHBondContact O-CE2 3.01Å; P240-Y242 PolarHBondContact O-N 3.27Å; P240-Y242 VanDerWaalsContact O-N 3.09Å
243P93.7Very high92.7Very high78 Ų7871.4 Ų71.451%0.50641%0.414SS..  trans-72.3143.7-179.130.9-35.5000111.7T245P243-T245 PolarHBondContact O-N 3.03Å; P243-T245 VanDerWaalsContact O-N 3.12Å
244A88.4Confident92.4Very high78 Ų7872.3 Ų72.365%0.64542%0.416SS*.THydrogen-bonded Turntrans-8126.2174.800000113.3
245T81.1Confident92.3Very high120 Ų12068.8 Ų68.874%0.73639%0.393SS*.THydrogen-bonded Turntrans-101-2.3-175.657.70000113.2P243 S247P243-T245 PolarHBondContact O-N 3.03Å; P243-T245 VanDerWaalsContact O-N 3.12Å; T245-S247 PolarHBondContact O-N 3.28Å; T245-S247 VanDerWaalsContact O-N 3.17Å
246T82.7Confident92.3Very high64 Ų6468.5 Ų68.539%0.39339%0.391SS..  trans-65.3116.1179.2-55.30000109.7R217 L218 L248R217-T246 PolarHBondContact O-OG1 3.49Å; L218-T246 HydrophobicContact CD1-CG2 3.89Å; L218-T246 WeakPolarHBondContact O-CB 3.37Å; T246-L248 PolarHBondContact O-N 3.02Å
247S87.9Confident92.3Very high71 Ų7167.9 Ų67.950%0.49740%0.402SS..  trans-72.1126.1-178.5-179.60000111.5T245 V249T245-S247 PolarHBondContact O-N 3.28Å; T245-S247 VanDerWaalsContact O-N 3.17Å; S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 WeakPolarHBondContact OG-CB 3.2Å; S247-V249 WeakPolarHBondContact OG-CG2 3.33Å; S247-V249 PolarHBondContact OG-N 3.35Å
248L91.2Very high92.3Very high17 Ų1766 Ų669%0.08940%0.398CS..G310 helixtrans-71.7-7.2173.1-65.1-179.8000113.4L218 T246 N250 V251 V252 L263 Q264L218-L248 HydrophobicContact CD1-CD2 4.05Å; L218-L248 HydrophobicContact CD2-CD2 4.27Å; L218-L248 HydrophobicContact CG-CD2 4.18Å; T246-L248 PolarHBondContact O-N 3.02Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 2.94Å; L248-V251 HydrophobicContact CD2-CB 4.41Å; L248-V251 HydrophobicContact CD2-CG2 4.45Å; L248-V251 PolarHBondContact O-N 3.29Å; L248-V252 HydrophobicContact CB-CG2 4.22Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 3.42Å; L248-L263 HydrophobicContact CD1-CD2 4.4Å; L248-Q264 HydrophobicContact CD1-CG 3.46Å; L248-Q264 VanDerWaalsContact CD1-CG 3.46Å
249V91.6Very high92.4Very high60 Ų6060.6 Ų60.636%0.36436%0.364SS..G310 helixtrans-55.7-43.8-176.9173.90000112S247 V251 P253S247-V249 PolarHBondContact O-N 3.25Å; S247-V249 WeakPolarHBondContact OG-CB 3.2Å; S247-V249 WeakPolarHBondContact OG-CG2 3.33Å; S247-V249 PolarHBondContact OG-N 3.35Å; V249-V251 VanDerWaalsContact C-N 3.35Å; V249-P253 WeakPolarHBondContact O-CA 3.4Å
250N87.4Confident92.4Very high142 Ų14262.2 Ų62.276%0.75937%0.369SS*.G310 helixtrans-84.4-13.3-179.3-63.9-18000113.1L248L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 2.94Å
251V92.6Very high92.4Very high31 Ų3162.5 Ų62.519%0.18837%0.368CS..THydrogen-bonded Turntrans-85.4-36.8-176.4179.40000110.3N197 L202 L218 L248 V249N197-V251 PolarHBondContact ND2-O 3Å; L202-V251 HydrophobicContact CD1-CG1 3.45Å; L202-V251 VanDerWaalsContact CD1-CG1 3.45Å; L218-V251 HydrophobicContact CD1-CG2 3.81Å; L218-V251 HydrophobicContact CD2-CG1 4.29Å; L248-V251 HydrophobicContact CD2-CB 4.41Å; L248-V251 HydrophobicContact CD2-CG2 4.45Å; L248-V251 PolarHBondContact O-N 3.29Å; V249-V251 VanDerWaalsContact C-N 3.35Å
252V94.7Very high92.6Very high0 Ų056.4 Ų56.40%034%0.338CS..SBendtrans-131.568.5179.9-74.50000109.7A193 A196 L248 K254 L255 R260 L263A193-V252 HydrophobicContact CB-CG1 3.85Å; A196-V252 HydrophobicContact CB-CB 4.15Å; A196-V252 HydrophobicContact CB-CG1 4.19Å; L248-V252 HydrophobicContact CB-CG2 4.22Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 3.42Å; V252-K254 PolarHBondContact O-N 2.97Å; V252-K254 VanDerWaalsContact O-N 3.11Å; V252-L255 HydrophobicContact CB-CB 4.46Å; V252-L255 HydrophobicContact CB-CD1 3.97Å; V252-L255 HydrophobicContact CB-CG 4.06Å; V252-L255 HydrophobicContact CG1-CD1 4.45Å; V252-L255 HydrophobicContact CG2-CB 4.33Å; V252-L255 HydrophobicContact CG2-CD1 3.91Å; V252-L255 HydrophobicContact CG2-CG 4.27Å; V252-L255 PolarHBondContact O-N 3.42Å; V252-R260 HydrophobicContact CG2-CG 3.97Å; V252-L263 HydrophobicContact CB-CD2 4.34Å; V252-L263 HydrophobicContact CG1-CD2 3.75Å; V252-L263 HydrophobicContact CG2-CD2 3.79Å
253P91.7Very high92.7Very high82 Ų8254.1 Ų54.153%0.53233%0.329SS..THydrogen-bonded Turntrans-63.3-21-171.426.6-35.8000113.4V249 L255V249-P253 WeakPolarHBondContact O-CA 3.4Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.15Å
254K89.5Confident92.8Very high50 Ų5054.8 Ų54.822%0.21733%0.325CS..THydrogen-bonded Turntrans-77.7-11.4176.9-58.9-173.9161.786.20113.6D97 L98 A196 N197 V252D97-K254 WeakPolarHBondContact OD1-CE 3.45Å; D97-K254 IonicContact OD1-NZ 2.98Å; D97-K254 PolarHBondContact OD1-NZ 2.76Å; L98-K254 VanDerWaalsContact O-CD 3.3Å; L98-K254 WeakPolarHBondContact O-CD 3.39Å; L98-K254 WeakPolarHBondContact O-CE 3.24Å; A196-K254 HydrophobicContact CB-CB 4.35Å; A196-K254 VanDerWaalsContact O-CB 3.3Å; A196-K254 WeakPolarHBondContact O-CB 3.34Å; A196-K254 WeakPolarHBondContact O-CG 3.41Å; A196-K254 PolarHBondContact O-N 3.26Å; N197-K254 PolarHBondContact O-NZ 3.12Å; V252-K254 PolarHBondContact O-N 2.97Å; V252-K254 VanDerWaalsContact O-N 3.11Å
255L95.1Very high93.3Very high6 Ų653 Ų533%0.03131%0.305CS..  trans-91.6133.8179.2-61.4-173.7000111.9F192 A196 V252 P253 R260 L263 Y285F192-L255 HydrophobicContact CD1-CD1 4.43Å; F192-L255 HydrophobicContact CE1-CD1 3.81Å; F192-L255 HydrophobicContact CE1-CD2 4.49Å; F192-L255 HydrophobicContact CE2-CD1 4.03Å; F192-L255 HydrophobicContact CE2-CD2 3.53Å; F192-L255 HydrophobicContact CE2-CG 4.41Å; F192-L255 HydrophobicContact CZ-CD1 3.59Å; F192-L255 HydrophobicContact CZ-CD2 3.48Å; F192-L255 VanDerWaalsContact CZ-CD2 3.48Å; F192-L255 HydrophobicContact CZ-CG 4.21Å; A196-L255 HydrophobicContact CB-CD1 3.97Å; A196-L255 HydrophobicContact CB-CD2 3.58Å; A196-L255 HydrophobicContact CB-CG 3.5Å; V252-L255 HydrophobicContact CB-CB 4.46Å; V252-L255 HydrophobicContact CB-CD1 3.97Å; V252-L255 HydrophobicContact CB-CG 4.06Å; V252-L255 HydrophobicContact CG1-CD1 4.45Å; V252-L255 HydrophobicContact CG2-CB 4.33Å; V252-L255 HydrophobicContact CG2-CD1 3.91Å; V252-L255 HydrophobicContact CG2-CG 4.27Å; V252-L255 PolarHBondContact O-N 3.42Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.15Å; L255-R260 HydrophobicContact CB-CG 3.8Å; L255-R260 PolarHBondContact O-NH1 2.96Å; L255-L263 HydrophobicContact CD1-CB 4.3Å; L255-L263 HydrophobicContact CD1-CD2 4.13Å; L255-Y285 HydrophobicContact CD2-CE2 4.28Å
256N95Very high94.1Very high89 Ų8947.3 Ų47.348%0.47627%0.27SS..  trans-71.8-179.2162.767.32.9000111.1T258 G259 R260N256-T258 VanDerWaalsContact C-N 3.3Å; N256-T258 PolarHBondContact O-N 3.4Å; N256-T258 PolarHBondContact OD1-N 2.78Å; N256-G259 PolarHBondContact O-N 3.09Å; N256-G259 PolarHBondContact OD1-N 3.39Å; N256-R260 WeakPolarHBondContact O-CG 3.31Å; N256-R260 PolarHBondContact O-N 3.36Å
257A96.5Very high94.9Very high64 Ų6444.5 Ų44.553%0.52925%0.252SS..Hα-helixtrans-57.2-43.1179.400000112.4G259 R260 D261A257-G259 PolarHBondContact O-N 3.4Å; A257-R260 PolarHBondContact O-N 3.25Å; A257-D261 PolarHBondContact O-N 3.28Å
258T97.2Very high95.4Very high52 Ų5244.9 Ų44.932%0.31925%0.245SC..Hα-helixtrans-62.7-41.6178.5-44.30000112.7N256 D261 L262 H283 P284N256-T258 VanDerWaalsContact C-N 3.3Å; N256-T258 PolarHBondContact O-N 3.4Å; N256-T258 PolarHBondContact OD1-N 2.78Å; T258-D261 PolarHBondContact O-N 3.34Å; T258-L262 PolarHBondContact O-N 3.09Å; T258-L262 VanDerWaalsContact O-N 3.12Å; T258-H283 PolarHBondContact O-CE1 3.33Å; T258-H283 VanDerWaalsContact O-CE1 3.28Å; T258-P284 HydrophobicContact CG2-CB 3.84Å
259G97.4Very high95.7Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-66.6-40.3175.800000112.1N256 A257 D261 L262 L263N256-G259 PolarHBondContact O-N 3.09Å; N256-G259 PolarHBondContact OD1-N 3.39Å; A257-G259 PolarHBondContact O-N 3.4Å; G259-D261 VanDerWaalsContact C-N 3.28Å; G259-D261 PolarHBondContact O-N 3.27Å; G259-L262 PolarHBondContact O-N 3.31Å; G259-L263 WeakPolarHBondContact O-CB 3.31Å; G259-L263 PolarHBondContact O-N 3.45Å
260R97.6Very high96Very high58 Ų5842.6 Ų42.622%0.21923%0.231CC..Hα-helixtrans-65.6-31.8175.1-69-172.9-60.2-99.84.9112.5V252 L255 N256 A257 Q264V252-R260 HydrophobicContact CG2-CG 3.97Å; L255-R260 HydrophobicContact CB-CG 3.8Å; L255-R260 PolarHBondContact O-NH1 2.96Å; N256-R260 WeakPolarHBondContact O-CG 3.31Å; N256-R260 PolarHBondContact O-N 3.36Å; A257-R260 PolarHBondContact O-N 3.25Å; R260-Q264 WeakPolarHBondContact O-CG 3.27Å; R260-Q264 PolarHBondContact O-N 3.06Å; R260-Q264 VanDerWaalsContact O-N 3.1Å; R260-Q264 PolarHBondContact O-NE2 3.1Å
261D97.7Very high96.4Very high74 Ų7437.1 Ų37.140%0.39620%0.204SC..Hα-helixtrans-65.6-49.8173.2-172.274.6000111.4A257 T258 G259 L263 Q264 N265 H283A257-D261 PolarHBondContact O-N 3.28Å; T258-D261 PolarHBondContact O-N 3.34Å; G259-D261 VanDerWaalsContact C-N 3.28Å; G259-D261 PolarHBondContact O-N 3.27Å; D261-L263 VanDerWaalsContact C-N 3.28Å; D261-L263 PolarHBondContact O-N 3.49Å; D261-Q264 PolarHBondContact O-N 2.94Å; D261-Q264 VanDerWaalsContact O-N 3.1Å; D261-N265 PolarHBondContact O-N 3.48Å; D261-N265 PolarHBondContact O-ND2 3.32Å; D261-N265 VanDerWaalsContact O-ND2 3.09Å; D261-N265 PolarHBondContact OD2-ND2 3.4Å; D261-H283 IonicContact OD2-CE1 2.92Å; D261-H283 IonicContact OD2-NE2 3.89Å; D261-H283 PolarHBondContact OD2-NE2 3.07Å; D261-H283 VanDerWaalsContact OD2-NE2 3.1Å
262L98.5Very high96.6Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-56.1-43.8174.6179.855.8000111.9L107 F192 T258 G259 Q264 N265 L266 I275 A280 H283 Y285 F286L107-L262 HydrophobicContact CD2-CD2 3.82Å; F192-L262 HydrophobicContact CE1-CB 4.34Å; F192-L262 HydrophobicContact CE1-CD2 4.24Å; F192-L262 HydrophobicContact CE1-CG 4.26Å; T258-L262 PolarHBondContact O-N 3.09Å; T258-L262 VanDerWaalsContact O-N 3.12Å; G259-L262 PolarHBondContact O-N 3.31Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.88Å; L262-N265 PolarHBondContact O-N 2.93Å; L262-L266 HydrophobicContact CD1-CD1 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.39Å; L262-L266 HydrophobicContact CG-CD1 4.14Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.12Å; L262-I275 HydrophobicContact CD1-CD1 4.35Å; L262-A280 HydrophobicContact CD1-CB 4.03Å; L262-H283 HydrophobicContact CD1-CB 4.03Å; L262-H283 HydrophobicContact CD2-CB 4.48Å; L262-Y285 HydrophobicContact CD2-CD1 3.78Å; L262-Y285 HydrophobicContact CD2-CG 4.21Å; L262-F286 HydrophobicContact CD2-CE2 3.76Å; L262-F286 HydrophobicContact CD2-CZ 4.08Å
263L98.4Very high96.8Very high1 Ų146.3 Ų46.31%0.00525%0.253CS..Hα-helixtrans-60.5-42.2178-178.262.1000112.2G189 F192 A193 L248 V252 L255 G259 D261 N265 L266 L267G189-L263 WeakPolarHBondContact O-CD1 2.93Å; F192-L263 HydrophobicContact CB-CD1 4.14Å; F192-L263 HydrophobicContact CD1-CB 3.96Å; F192-L263 HydrophobicContact CD1-CD1 3.8Å; F192-L263 HydrophobicContact CD1-CG 4.43Å; F192-L263 HydrophobicContact CE1-CB 4.05Å; F192-L263 HydrophobicContact CG-CD1 4.28Å; A193-L263 HydrophobicContact CB-CD1 4.26Å; A193-L263 HydrophobicContact CB-CD2 4.29Å; L248-L263 HydrophobicContact CD1-CD2 4.4Å; V252-L263 HydrophobicContact CB-CD2 4.34Å; V252-L263 HydrophobicContact CG1-CD2 3.75Å; V252-L263 HydrophobicContact CG2-CD2 3.79Å; L255-L263 HydrophobicContact CD1-CB 4.3Å; L255-L263 HydrophobicContact CD1-CD2 4.13Å; G259-L263 WeakPolarHBondContact O-CB 3.31Å; G259-L263 PolarHBondContact O-N 3.45Å; D261-L263 VanDerWaalsContact C-N 3.28Å; D261-L263 PolarHBondContact O-N 3.49Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.47Å; L263-L266 PolarHBondContact O-N 2.7Å; L263-L267 HydrophobicContact CD1-CD1 3.69Å; L263-L267 HydrophobicContact CD1-CG 4.03Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 HydrophobicContact CG-CG 4.49Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 2.85Å
264Q97.3Very high97.1Very high92 Ų9243.1 Ų43.143%0.4323%0.231SC..Hα-helixtrans-65.5-35.1176.3-75167.981.600112.4L248 R260 D261 L262 L267 K268L248-Q264 HydrophobicContact CD1-CG 3.46Å; L248-Q264 VanDerWaalsContact CD1-CG 3.46Å; R260-Q264 WeakPolarHBondContact O-CG 3.27Å; R260-Q264 PolarHBondContact O-N 3.06Å; R260-Q264 VanDerWaalsContact O-N 3.1Å; R260-Q264 PolarHBondContact O-NE2 3.1Å; D261-Q264 PolarHBondContact O-N 2.94Å; D261-Q264 VanDerWaalsContact O-N 3.1Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.88Å; Q264-L267 CarbonylContact O-C 3.55Å; Q264-L267 PolarHBondContact O-N 2.89Å; Q264-K268 WeakPolarHBondContact O-CG 3.13Å; Q264-K268 PolarHBondContact O-N 3.11Å
265N98.5Very high97.5Very high41 Ų4141.9 Ų41.922%0.21923%0.226CC..Hα-helixtrans-69.2-34.5175.6-77.1-51.4000112.4D261 L262 L263 I275D261-N265 PolarHBondContact O-N 3.48Å; D261-N265 PolarHBondContact O-ND2 3.32Å; D261-N265 VanDerWaalsContact O-ND2 3.09Å; D261-N265 PolarHBondContact OD2-ND2 3.4Å; L262-N265 PolarHBondContact O-N 2.93Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.47Å; N265-I275 HydrophobicContact CB-CB 4.03Å; N265-I275 HydrophobicContact CB-CD1 4.28Å; N265-I275 HydrophobicContact CB-CG2 3.93Å; N265-I275 PolarHBondContact O-N 3.03Å; N265-I275 VanDerWaalsContact O-N 3.14Å
266L98.7Very high97.7Very high0 Ų043.3 Ų43.30%024%0.237CC..Hα-helixtrans-72.6-35.4172.1-69.5166.3000112.8M185 F192 L262 L263 R274 I275M185-L266 HydrophobicContact CB-CD2 4.45Å; M185-L266 HydrophobicContact CE-CD2 3.42Å; M185-L266 VanDerWaalsContact CE-CD2 3.42Å; F192-L266 HydrophobicContact CD1-CD1 4.07Å; L262-L266 HydrophobicContact CD1-CD1 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.39Å; L262-L266 HydrophobicContact CG-CD1 4.14Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.12Å; L263-L266 PolarHBondContact O-N 2.7Å; L266-R274 WeakPolarHBondContact O-CD 3.34Å; L266-R274 WeakPolarHBondContact O-CG 3.43Å; L266-I275 HydrophobicContact CD2-CG2 3.68Å; L266-I275 HydrophobicContact CG-CG2 3.96Å
267L98.3Very high97.8Very high5 Ų539.2 Ų39.23%0.02622%0.215CC..THydrogen-bonded Turntrans-96.127.2-176.6-65.1-177.8000113.7W186 L202 F203 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 4.3Å; W186-L267 HydrophobicContact CZ3-CB 4.24Å; W186-L267 HydrophobicContact CZ3-CD2 4.25Å; W186-L267 VanDerWaalsContact CZ3-O 3.28Å; W186-L267 WeakPolarHBondContact CZ3-O 3.42Å; L202-L267 HydrophobicContact CD2-CD1 3.63Å; F203-L267 HydrophobicContact CE2-CD2 4.48Å; L219-L267 HydrophobicContact CD1-CB 4.01Å; L219-L267 WeakPolarHBondContact CD1-O 3.45Å; L263-L267 HydrophobicContact CD1-CD1 3.69Å; L263-L267 HydrophobicContact CD1-CG 4.03Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 HydrophobicContact CG-CG 4.49Å; L263-L267 WeakPolarHBondContact O-CB 3.21Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 2.85Å; Q264-L267 CarbonylContact O-C 3.55Å; Q264-L267 PolarHBondContact O-N 2.89Å; L267-C269 PolarHBondContact O-N 2.69Å
268K98Very high97.9Very high78 Ų7842.8 Ų42.834%0.33922%0.221SC..  trans-65127.5169.6-68.7-67.7-174.91760110.4Q264 Q273 R274Q264-K268 WeakPolarHBondContact O-CG 3.13Å; Q264-K268 PolarHBondContact O-N 3.11Å; K268-Q273 HydrophobicContact CB-CB 4.11Å; K268-Q273 HydrophobicContact CD-CB 4.49Å; K268-Q273 HydrophobicContact CG-CB 4.16Å; K268-Q273 WeakPolarHBondContact CG-O 3.44Å; K268-R274 HydrophobicContact CB-CB 4.31Å; K268-R274 VanDerWaalsContact O-CZ 3.3Å; K268-R274 PolarHBondContact O-NE 3.27Å; K268-R274 PolarHBondContact O-NH2 3.07Å
269C97.9Very high98Very high13 Ų1345.4 Ų45.49%0.08823%0.229CC..SBendtrans-63.4-45.6177.6-67.50000111.6P170 P222 W227 L267 P271 R274P170-C269 HydrophobicContact CG-CB 4.2Å; P222-C269 HydrophobicContact CG-CB 3.47Å; P222-C269 VanDerWaalsContact CG-CB 3.47Å; W227-C269 HydrophobicContact CE3-CB 4.22Å; W227-C269 HydrophobicContact CZ3-CB 4.22Å; L267-C269 PolarHBondContact O-N 2.69Å; C269-P271 WeakPolarHBondContact O-CD 3.35Å; C269-R274 PolarHBondContact O-NH2 2.99Å; C269-R274 VanDerWaalsContact O-NH2 3.11Å
270N97.4Very high98Very high16 Ų1645.4 Ų45.49%0.08623%0.229CC..SBendtrans-69.3117.6173.9-177.6-12.9000109.5Q226 W227 V272 Q273Q226-N270 PolarHBondContact O-ND2 3.3Å; W227-N270 HydrophobicContact CB-CB 4.04Å; W227-N270 HydrophobicContact CD2-CB 4.16Å; W227-N270 HydrophobicContact CG-CB 3.82Å; N270-V272 PolarHBondContact O-N 2.72Å; N270-V272 VanDerWaalsContact O-N 3.16Å; N270-V272 PolarHBondContact OD1-N 2.73Å; N270-Q273 HydrophobicContact CB-CB 4.31Å; N270-Q273 HydrophobicContact CB-CG 4.14Å; N270-Q273 PolarHBondContact O-N 3.44Å; N270-Q273 VanDerWaalsContact O-N 3.09Å
271P97.2Very high98Very high27 Ų2744.5 Ų44.518%0.17523%0.229CC..G310 helixtrans-62.7-23.8-176.625-34.9000113.7D171 S182 C269D171-P271 HydrophobicContact CB-CG 3.93Å; S182-P271 WeakPolarHBondContact CB-O 3.06Å; S182-P271 WeakPolarHBondContact OG-CB 3.5Å; C269-P271 WeakPolarHBondContact O-CD 3.35Å
272V96.8Very high98Very high129 Ų12947.9 Ų47.978%0.78224%0.242SC*.G310 helixtrans-75-26.8178.4-179.30000112N270 R274N270-V272 PolarHBondContact O-N 2.72Å; N270-V272 VanDerWaalsContact O-N 3.16Å; N270-V272 PolarHBondContact OD1-N 2.73Å; V272-R274 VanDerWaalsContact C-N 3.34Å
273Q97.6Very high98Very high95 Ų9548.9 Ų48.944%0.44425%0.247SC..G310 helixtrans-88.1-6.2179.1-66.6-178.6-19.900112.8Q226 K268 N270Q226-Q273 PolarHBondContact O-NE2 3.05Å; K268-Q273 HydrophobicContact CB-CB 4.11Å; K268-Q273 HydrophobicContact CD-CB 4.49Å; K268-Q273 HydrophobicContact CG-CB 4.16Å; K268-Q273 WeakPolarHBondContact CG-O 3.44Å; N270-Q273 HydrophobicContact CB-CB 4.31Å; N270-Q273 HydrophobicContact CB-CG 4.14Å; N270-Q273 PolarHBondContact O-N 3.44Å; N270-Q273 VanDerWaalsContact O-N 3.09Å
274R98.2Very high98Very high16 Ų1652.7 Ų52.76%0.0627%0.271CS..SBendtrans-77.9128.4-174.6-157.3174.8-64136.84.9109.7D171 S182 M185 L266 K268 C269 V272D171-R274 IonicContact OD1-CZ 2.88Å; D171-R274 IonicContact OD1-NH1 4Å; D171-R274 IonicContact OD1-NH2 2.85Å; D171-R274 PolarHBondContact OD1-NH2 3.29Å; S182-R274 VanDerWaalsContact O-CD 3.3Å; S182-R274 WeakPolarHBondContact O-CD 3.4Å; S182-R274 PolarHBondContact O-NH1 3.27Å; M185-R274 HydrophobicContact CB-CG 4.13Å; L266-R274 WeakPolarHBondContact O-CD 3.34Å; L266-R274 WeakPolarHBondContact O-CG 3.43Å; K268-R274 HydrophobicContact CB-CB 4.31Å; K268-R274 VanDerWaalsContact O-CZ 3.3Å; K268-R274 PolarHBondContact O-NE 3.27Å; K268-R274 PolarHBondContact O-NH2 3.07Å; C269-R274 PolarHBondContact O-NH2 2.99Å; C269-R274 VanDerWaalsContact O-NH2 3.11Å; V272-R274 VanDerWaalsContact C-N 3.34Å
275I98.7Very high98Very high23 Ų2349.1 Ų49.112%0.11825%0.254CS..PPolyproline II helixtrans-59.1141.1-179-164.8169.3000111.2M185 L262 N265 L266 E279 A280M185-I275 WeakPolarHBondContact CG-O 3.43Å; L262-I275 HydrophobicContact CD1-CD1 4.35Å; N265-I275 HydrophobicContact CB-CB 4.03Å; N265-I275 HydrophobicContact CB-CD1 4.28Å; N265-I275 HydrophobicContact CB-CG2 3.93Å; N265-I275 PolarHBondContact O-N 3.03Å; N265-I275 VanDerWaalsContact O-N 3.14Å; L266-I275 HydrophobicContact CD2-CG2 3.68Å; L266-I275 HydrophobicContact CG-CG2 3.96Å; I275-E279 HydrophobicContact CD1-CB 4Å; I275-E279 HydrophobicContact CG1-CB 3.56Å; I275-A280 HydrophobicContact CD1-CB 4.19Å; I275-A280 HydrophobicContact CG1-CB 4.34Å; I275-A280 HydrophobicContact CG2-CB 4.27Å
276S98.7Very high97.9Very high37 Ų3747.8 Ų47.826%0.25925%0.246SC..PPolyproline II helixtrans-75.9163.3173.3700000112E278 E279 A280S276-E278 VanDerWaalsContact C-N 3.25Å; S276-E278 PolarHBondContact O-N 2.86Å; S276-E279 VanDerWaalsContact CB-OE2 3.26Å; S276-E279 WeakPolarHBondContact CB-OE2 3.43Å; S276-E279 PolarHBondContact N-OE2 2.92Å; S276-E279 PolarHBondContact O-N 3.33Å; S276-E279 WeakPolarHBondContact OG-CB 3.22Å; S276-E279 VanDerWaalsContact OG-CD 3.27Å; S276-E279 VanDerWaalsContact OG-CG 3.27Å; S276-E279 WeakPolarHBondContact OG-CG 3.16Å; S276-E279 PolarHBondContact OG-N 3.2Å; S276-E279 PolarHBondContact OG-OE2 2.86Å; S276-A280 WeakPolarHBondContact O-CB 3.15Å; S276-A280 PolarHBondContact O-N 3.09Å
277A98.5Very high97.7Very high2 Ų251.9 Ų51.92%0.01728%0.275CS..Hα-helixtrans-62.5-34.2174.800000112.5L114 M185 L281L114-A277 HydrophobicContact CB-CB 4.3Å; M185-A277 HydrophobicContact CE-CB 4.03Å; M185-A277 HydrophobicContact SD-CB 3.77Å; A277-L281 WeakPolarHBondContact O-CD1 3.2Å; A277-L281 VanDerWaalsContact O-CG 3.27Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.93Å; A277-L281 VanDerWaalsContact O-N 3.12Å
278E98.1Very high97.2Very high140 Ų14058.9 Ų58.965%0.65431%0.313SS*.Hα-helixtrans-67.2-48.9178.7-176.3172.5-173.600111.5S276 L281 Q282S276-E278 VanDerWaalsContact C-N 3.25Å; S276-E278 PolarHBondContact O-N 2.86Å; E278-L281 PolarHBondContact O-N 2.88Å; E278-Q282 PolarHBondContact O-N 2.94Å
279E98.5Very high96.5Very high106 Ų10656.5 Ų56.550%0.49530%0.302SS..Hα-helixtrans-65.6-39175.9-67.6161.9135.800111.5I275 S276 L281 Q282 H283I275-E279 HydrophobicContact CD1-CB 4Å; I275-E279 HydrophobicContact CG1-CB 3.56Å; S276-E279 VanDerWaalsContact CB-OE2 3.26Å; S276-E279 WeakPolarHBondContact CB-OE2 3.43Å; S276-E279 PolarHBondContact N-OE2 2.92Å; S276-E279 PolarHBondContact O-N 3.33Å; S276-E279 WeakPolarHBondContact OG-CB 3.22Å; S276-E279 VanDerWaalsContact OG-CD 3.27Å; S276-E279 VanDerWaalsContact OG-CG 3.27Å; S276-E279 WeakPolarHBondContact OG-CG 3.16Å; S276-E279 PolarHBondContact OG-N 3.2Å; S276-E279 PolarHBondContact OG-OE2 2.86Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.26Å; E279-Q282 PolarHBondContact O-N 3.22Å; E279-H283 PolarHBondContact O-N 3.45Å
280A98.7Very high95.3Very high0 Ų061 Ų610%033%0.333CS..Hα-helixtrans-61.6-35.1177.800000112.5L111 M185 L262 I275 S276 Q282 H283 F286L111-A280 HydrophobicContact CD1-CB 3.87Å; L111-A280 HydrophobicContact CD2-CB 4.06Å; M185-A280 HydrophobicContact CE-CB 4.47Å; L262-A280 HydrophobicContact CD1-CB 4.03Å; I275-A280 HydrophobicContact CD1-CB 4.19Å; I275-A280 HydrophobicContact CG1-CB 4.34Å; I275-A280 HydrophobicContact CG2-CB 4.27Å; S276-A280 WeakPolarHBondContact O-CB 3.15Å; S276-A280 PolarHBondContact O-N 3.09Å; A280-Q282 VanDerWaalsContact C-N 3.27Å; A280-Q282 PolarHBondContact O-N 3.23Å; A280-H283 WeakPolarHBondContact O-CB 3.29Å; A280-H283 PolarHBondContact O-N 2.92Å; A280-F286 VanDerWaalsContact O-CD2 3.29Å; A280-F286 WeakPolarHBondContact O-CD2 3.43Å; A280-F286 VanDerWaalsContact O-CE2 3.32Å; A280-F286 WeakPolarHBondContact O-CE2 3.22Å
281L97.7Very high93.6Very high40 Ų4063.8 Ų63.821%0.20935%0.351CS..Hα-helixtrans-70.7-22.1175.3-74.2165.7000113.3F108 L111 K112 A277 E278 E279 H283F108-L281 HydrophobicContact CD2-CD2 3.66Å; F108-L281 HydrophobicContact CE2-CD2 3.65Å; F108-L281 HydrophobicContact CG-CD2 4.28Å; F108-L281 HydrophobicContact CZ-CD2 4.24Å; L111-L281 HydrophobicContact CB-CD2 3.75Å; L111-L281 HydrophobicContact CB-CG 3.93Å; K112-L281 HydrophobicContact CD-CD1 3.79Å; K112-L281 HydrophobicContact CD-CD2 4.02Å; K112-L281 HydrophobicContact CG-CD1 4.27Å; K112-L281 HydrophobicContact CG-CD2 3.88Å; A277-L281 WeakPolarHBondContact O-CD1 3.2Å; A277-L281 VanDerWaalsContact O-CG 3.27Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.93Å; A277-L281 VanDerWaalsContact O-N 3.12Å; E278-L281 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.26Å; L281-H283 VanDerWaalsContact C-N 3.33Å
282Q97.7Very high91.5Very high145 Ų14569.3 Ų69.368%0.67839%0.387SS*.THydrogen-bonded Turntrans-89.3-2.5175.1-62.11729.600112.3E278 E279 A280E278-Q282 PolarHBondContact O-N 2.94Å; E279-Q282 PolarHBondContact O-N 3.22Å; A280-Q282 VanDerWaalsContact C-N 3.27Å; A280-Q282 PolarHBondContact O-N 3.23Å
283H98.5Very high91.2Very high20 Ų2066.3 Ų66.39%0.09337%0.368CS..SBendtrans-64.7142.9-177.4-167.7-90.4000111.7T258 D261 L262 E279 A280 L281 Y285 F286T258-H283 PolarHBondContact O-CE1 3.33Å; T258-H283 VanDerWaalsContact O-CE1 3.28Å; D261-H283 IonicContact OD2-CE1 2.92Å; D261-H283 IonicContact OD2-NE2 3.89Å; D261-H283 PolarHBondContact OD2-NE2 3.07Å; D261-H283 VanDerWaalsContact OD2-NE2 3.1Å; L262-H283 HydrophobicContact CD1-CB 4.03Å; L262-H283 HydrophobicContact CD2-CB 4.48Å; E279-H283 PolarHBondContact O-N 3.45Å; A280-H283 WeakPolarHBondContact O-CB 3.29Å; A280-H283 PolarHBondContact O-N 2.92Å; L281-H283 VanDerWaalsContact C-N 3.33Å; H283-Y285 WeakPolarHBondContact ND1-CB 3.49Å; H283-Y285 PolarHBondContact ND1-N 2.83Å; H283-Y285 VanDerWaalsContact ND1-N 3.2Å; H283-Y285 PolarHBondContact O-N 3.27Å; H283-F286 PolarHBondContact O-N 3.05Å
284P97.7Very high90.9Very high81 Ų8164.8 Ų64.853%0.52636%0.364SS..G310 helixtrans-55.9-19-179.6-27.734.7000115.2T258 F286 S287T258-P284 HydrophobicContact CG2-CB 3.84Å; P284-F286 PolarHBondContact O-N 3.22Å; P284-S287 WeakPolarHBondContact O-CB 3.38Å; P284-S287 PolarHBondContact O-N 2.63Å; P284-S287 VanDerWaalsContact O-N 3.13Å; P284-S287 PolarHBondContact O-OG 3.17Å
285Y97.4Very high90.5Very high18 Ų1867.5 Ų67.57%0.07138%0.38CS..G310 helixtrans-58.5-26.5173.7-175.3-111.5000112.9K104 L107 F192 L255 L262 H283K104-Y285 HydrophobicContact CB-CE1 4.13Å; K104-Y285 HydrophobicContact CG-CD1 4.31Å; K104-Y285 HydrophobicContact CG-CE1 3.77Å; L107-Y285 HydrophobicContact CD2-CE1 4.26Å; F192-Y285 HydrophobicContact CE2-CE1 4.08Å; F192-Y285 HydrophobicContact CZ-CD1 4.31Å; F192-Y285 AromaticContact CZ-CE1 3.69Å; F192-Y285 HydrophobicContact CZ-CE1 3.69Å; F192-Y285 HydrophobicContact CZ-CE2 4.48Å; F192-Y285 AromaticContact CZ-CZ 3.8Å; L255-Y285 HydrophobicContact CD2-CE2 4.28Å; L262-Y285 HydrophobicContact CD2-CD1 3.78Å; L262-Y285 HydrophobicContact CD2-CG 4.21Å; H283-Y285 WeakPolarHBondContact ND1-CB 3.49Å; H283-Y285 PolarHBondContact ND1-N 2.83Å; H283-Y285 VanDerWaalsContact ND1-N 3.2Å; H283-Y285 PolarHBondContact O-N 3.27Å
286F96.9Very high90Very high12 Ų1270.1 Ų70.15%0.05340%0.396CS..G310 helixtrans-105.95.3177.7-57.9-60.2000114.2K104 L107 F108 L111 L262 A280 H283 P284 D288 F289K104-F286 HydrophobicContact CD-CD1 4.46Å; K104-F286 HydrophobicContact CG-CD1 3.77Å; K104-F286 HydrophobicContact CG-CE1 3.84Å; L107-F286 HydrophobicContact CB-CZ 4.27Å; L107-F286 HydrophobicContact CD2-CE1 4.47Å; L107-F286 HydrophobicContact CD2-CZ 3.7Å; L107-F286 HydrophobicContact CG-CZ 3.88Å; F108-F286 HydrophobicContact CB-CD1 4.06Å; F108-F286 HydrophobicContact CB-CE1 3.71Å; F108-F286 HydrophobicContact CB-CZ 4.26Å; F108-F286 HydrophobicContact CD2-CB 4.18Å; F108-F286 AromaticContact CD2-CD1 3.7Å; F108-F286 HydrophobicContact CD2-CD1 3.7Å; F108-F286 HydrophobicContact CD2-CD2 4.24Å; F108-F286 HydrophobicContact CD2-CE1 4.07Å; F108-F286 AromaticContact CD2-CG 3.79Å; F108-F286 HydrophobicContact CD2-CG 3.79Å; F108-F286 HydrophobicContact CD2-CZ 4.47Å; F108-F286 HydrophobicContact CE2-CB 4.4Å; F108-F286 HydrophobicContact CE2-CG 4.44Å; F108-F286 HydrophobicContact CG-CD1 4.35Å; F108-F286 HydrophobicContact CG-CE1 4.41Å; L111-F286 HydrophobicContact CD1-CE2 3.61Å; L111-F286 HydrophobicContact CD1-CZ 3.79Å; L262-F286 HydrophobicContact CD2-CE2 3.76Å; L262-F286 HydrophobicContact CD2-CZ 4.08Å; A280-F286 VanDerWaalsContact O-CD2 3.29Å; A280-F286 WeakPolarHBondContact O-CD2 3.43Å; A280-F286 VanDerWaalsContact O-CE2 3.32Å; A280-F286 WeakPolarHBondContact O-CE2 3.22Å; H283-F286 PolarHBondContact O-N 3.05Å; P284-F286 PolarHBondContact O-N 3.22Å; F286-D288 PolarHBondContact O-N 3.12Å; F286-F289 HydrophobicContact CB-CB 4.39Å; F286-F289 VanDerWaalsContact O-CB 3.29Å; F286-F289 WeakPolarHBondContact O-CB 3.15Å; F286-F289 PolarHBondContact O-N 3.47Å; F286-F289 VanDerWaalsContact O-N 3.14Å
287S93.1Very high89.5Confident86 Ų8672.2 Ų72.260%0.60140%0.404SS*.THydrogen-bonded Turntrans-61.4-41.1-17555.10000113.4P284 F289P284-S287 WeakPolarHBondContact O-CB 3.38Å; P284-S287 PolarHBondContact O-N 2.63Å; P284-S287 VanDerWaalsContact O-N 3.13Å; P284-S287 PolarHBondContact O-OG 3.17Å; S287-F289 VanDerWaalsContact C-N 3.32Å
288D88Confident88.9Confident153 Ų15376.9 Ų76.982%0.81843%0.43SS*.THydrogen-bonded Turntrans-93.519.3177.7-60.7-40.1000113F286F286-D288 PolarHBondContact O-N 3.12Å
289F84.3Confident88.2Confident28 Ų2872.4 Ų72.412%0.12341%0.414CS..PPolyproline II helixtrans-93.3119.3-175.1-169.1-116.5000112K104 S105 F108 F286 S287K104-F289 HydrophobicContact CD-CB 4.11Å; K104-F289 HydrophobicContact CD-CD2 3.46Å; K104-F289 VanDerWaalsContact CD-CD2 3.46Å; K104-F289 HydrophobicContact CD-CE2 4.16Å; K104-F289 HydrophobicContact CD-CG 3.99Å; K104-F289 HydrophobicContact CG-CD2 3.94Å; K104-F289 HydrophobicContact CG-CE2 4.28Å; K104-F289 HydrophobicContact CG-CG 4.37Å; S105-F289 VanDerWaalsContact CA-CZ 3.47Å; F108-F289 HydrophobicContact CB-CD1 4.22Å; F108-F289 HydrophobicContact CB-CE1 3.86Å; F108-F289 HydrophobicContact CD1-CD1 4.1Å; F108-F289 AromaticContact CD1-CE1 3.74Å; F108-F289 HydrophobicContact CD1-CE1 3.74Å; F108-F289 AromaticContact CD2-CD1 3.98Å; F108-F289 HydrophobicContact CD2-CD1 3.98Å; F108-F289 HydrophobicContact CD2-CE1 4.34Å; F108-F289 HydrophobicContact CE1-CD1 4.46Å; F108-F289 HydrophobicContact CE1-CE1 4.35Å; F108-F289 HydrophobicContact CE2-CD1 4.34Å; F108-F289 AromaticContact CG-CD1 3.83Å; F108-F289 HydrophobicContact CG-CD1 3.83Å; F108-F289 AromaticContact CG-CE1 3.72Å; F108-F289 HydrophobicContact CG-CE1 3.72Å; F286-F289 HydrophobicContact CB-CB 4.39Å; F286-F289 VanDerWaalsContact O-CB 3.29Å; F286-F289 WeakPolarHBondContact O-CB 3.15Å; F286-F289 PolarHBondContact O-N 3.47Å; F286-F289 VanDerWaalsContact O-N 3.14Å; S287-F289 VanDerWaalsContact C-N 3.32Å
290C70.8Confident87.4Confident108 Ų10869.8 Ų69.873%0.7341%0.408SS*.PPolyproline II helixtrans-87.9118.6162-76.50000108.4
291P63.5Low86.5Confident73 Ų7375.6 Ų75.647%0.47444%0.442SS..PPolyproline II helixtrans-54.9129.4168.9-19.530.9000108.8F108F108-P291 HydrophobicContact CE1-CG 4.19Å; F108-P291 HydrophobicContact CZ-CG 4.47Å
292P52Low85.4Confident143 Ų14378.8 Ų78.893%0.92946%0.463SS*.  trans-60.30170.925.1-32.6000111.6

Retrieved 292 of 292 residues in 58.3 ms (Link to these results)

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