A0A096MS21_PAPAN Loading...

FAU ubiquitin like and ribosomal protein S30 fusion

AlphaFold DB , UniProt , Accession A0A096MS21, Species PAPAN (Papio anubis, Olive baboon), Gene FAU, Length 133 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
1M92.9Very high95.2Very high68 Ų6873.1 Ų73.134%0.33534%0.343SS..  0134.1071.7173.4-12100106.8L3 E14 V15 V59 E60 A61M1-L3 HydrophobicContact CE-CD1 4.05Å; M1-L3 HydrophobicContact CE-CD2 3.48Å; M1-L3 VanDerWaalsContact CE-CD2 3.48Å; M1-L3 HydrophobicContact CE-CG 3.82Å; M1-E14 PolarHBondContact N-OE2 3.01Å; M1-V15 HydrophobicContact CE-CG2 4.19Å; M1-V15 HydrophobicContact CG-CG2 3.64Å; M1-V15 WeakPolarHBondContact CG-O 3.4Å; M1-V15 PolarHBondContact N-O 3.22Å; M1-V15 WeakPolarHBondContact O-CG2 3.27Å; M1-V15 PolarHBondContact O-N 3.11Å; M1-V15 VanDerWaalsContact O-O 3.12Å; M1-V59 HydrophobicContact CE-CG1 4.03Å; M1-E60 VanDerWaalsContact CE-O 3.27Å; M1-E60 WeakPolarHBondContact CE-O 3.4Å; M1-A61 HydrophobicContact CB-CB 4.16Å
2Q94.5Very high95.3Very high69 Ų6974.2 Ų74.232%0.32236%0.358SS..EExtended strand (participates in β ladder)trans-87.2140.6-177.7-165.6175.910.700110.2L13 E14 L62Q2-L13 CarbonylContact C-O 3.58Å; Q2-L13 WeakPolarHBondContact CA-O 3.45Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.24Å; Q2-L62 HydrophobicContact CB-CD2 4.28Å; Q2-L62 PolarHBondContact O-N 3.33Å
3L96.1Very high95.3Very high1 Ų170 Ų701%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-126.2153172.7-69.7-178.7000110.9M1 T12 L13 V15 L54 V59 E60 L65M1-L3 HydrophobicContact CE-CD1 4.05Å; M1-L3 HydrophobicContact CE-CD2 3.48Å; M1-L3 VanDerWaalsContact CE-CD2 3.48Å; M1-L3 HydrophobicContact CE-CG 3.82Å; L3-T12 CarbonylContact O-C 3.53Å; L3-T12 WeakPolarHBondContact O-CA 3.38Å; L3-L13 PolarHBondContact N-O 3.36Å; L3-L13 PolarHBondContact O-N 3.49Å; L3-V15 HydrophobicContact CD1-CG1 4.49Å; L3-V15 HydrophobicContact CD1-CG2 3.58Å; L3-V15 HydrophobicContact CG-CG2 3.84Å; L3-L54 HydrophobicContact CD1-CD1 3.87Å; L3-V59 HydrophobicContact CD1-CG1 3.77Å; L3-V59 HydrophobicContact CD2-CG1 3.59Å; L3-V59 HydrophobicContact CG-CG1 4.35Å; L3-E60 WeakPolarHBondContact CD2-O 3.48Å; L3-L65 HydrophobicContact CD1-CD1 4.28Å
4F97.4Very high95.3Very high60 Ų6075 Ų7526%0.26336%0.361SS..EExtended strand (participates in β ladder)trans-101.4131.7166.9-59.3-74.2000109L10 H11 T12 L62 T63 T64 L65F4-L10 HydrophobicContact CB-CD1 4.18Å; F4-H11 CarbonylContact C-O 3.57Å; F4-H11 WeakPolarHBondContact CA-O 3.25Å; F4-T12 HydrophobicContact CD1-CG2 3.66Å; F4-T12 HydrophobicContact CE1-CG2 3.59Å; F4-L62 WeakPolarHBondContact CD2-O 3.49Å; F4-L62 HydrophobicContact CE2-CB 4.15Å; F4-L62 HydrophobicContact CE2-CD2 4.07Å; F4-L62 HydrophobicContact CZ-CD2 4.38Å; F4-T63 PolarHBondContact N-O 3.31Å; F4-T64 HydrophobicContact CB-CG2 4.21Å; F4-T64 CarbonylContact O-C 3.59Å; F4-T64 VanDerWaalsContact O-CA 3.26Å; F4-T64 WeakPolarHBondContact O-CA 3.33Å; F4-L65 PolarHBondContact O-N 3.42Å
5V96.8Very high95.2Very high1 Ų170.8 Ų70.81%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-118.5114.2175.4-1760000107.8H11 L13 V28 L65 V67V5-H11 PolarHBondContact N-O 3.38Å; V5-H11 PolarHBondContact O-N 3.23Å; V5-L13 HydrophobicContact CG2-CD1 3.61Å; V5-L13 HydrophobicContact CG2-CG 4.01Å; V5-V28 HydrophobicContact CG1-CG2 3.72Å; V5-L65 WeakPolarHBondContact CA-O 3.09Å; V5-V67 HydrophobicContact CG1-CG2 3.58Å
6R96.8Very high95.1Very high154 Ų15473 Ų7358%0.58136%0.361SS*.EExtended strand (participates in β ladder)trans-98.4106.2178.6-177-176.9-176.5176.43.1109L10 T64 L65 E66 V67R6-L10 HydrophobicContact CB-CD1 4.26Å; R6-T64 HydrophobicContact CB-CG2 4.05Å; R6-L65 PolarHBondContact N-O 3.38Å; R6-E66 CarbonylContact O-C 3.55Å; R6-E66 WeakPolarHBondContact O-CA 3.22Å; R6-V67 PolarHBondContact O-N 3.38Å
7A93.3Very high94.7Very high24 Ų2469.1 Ų69.120%0.19834%0.344CS..SBendtrans-124.3-124.617700000109.1E9 V28 E32 V67A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact N-O 3.36Å; A7-V28 HydrophobicContact CB-CG1 4.23Å; A7-E32 WeakPolarHBondContact CB-OE1 3.47Å; A7-E32 WeakPolarHBondContact CB-OE2 3.43Å; A7-V67 HydrophobicContact CB-CB 3.88Å
8Q92.1Very high94.6Very high137 Ų13773.2 Ų73.264%0.6436%0.362SS*.SBendtrans-64.6-42.2167-66.317761.500111.1E32 I34Q8-E32 WeakPolarHBondContact CA-OE1 3.41Å; Q8-E32 WeakPolarHBondContact CB-OE1 3.48Å; Q8-E32 WeakPolarHBondContact CB-OE2 3.42Å; Q8-E32 WeakPolarHBondContact CG-OE2 3.48Å; Q8-E32 VanDerWaalsContact N-CD 3.26Å; Q8-E32 PolarHBondContact N-OE1 2.68Å; Q8-E32 PolarHBondContact N-OE2 2.75Å; Q8-E32 PolarHBondContact NE2-O 3Å; Q8-I34 HydrophobicContact CG-CD1 4.46Å
9E94.5Very high94.6Very high140 Ų14071 Ų7165%0.65435%0.351SS*.SBendtrans-117.9171.8171.7-65-167.2163.800110.9A7 E32A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact N-O 3.36Å; E9-E32 PolarHBondContact N-OE1 2.87Å
10L96.3Very high94.7Very high117 Ų11769.1 Ų69.161%0.61334%0.343SS*.EExtended strand (participates in β ladder)trans-94.1119.5174.1-177.667.1000109.1F4 R6F4-L10 HydrophobicContact CB-CD1 4.18Å; R6-L10 HydrophobicContact CB-CD1 4.26Å
11H96.6Very high94.8Very high33 Ų3365.8 Ų65.815%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-113.4151.1177.4-58.3-58.9000111.6F4 V5 L31 E32F4-H11 CarbonylContact C-O 3.57Å; F4-H11 WeakPolarHBondContact CA-O 3.25Å; V5-H11 PolarHBondContact N-O 3.38Å; V5-H11 PolarHBondContact O-N 3.23Å; H11-L31 HydrophobicContact CB-CD1 4.25Å; H11-E32 IonicContact CD2-OE1 3.78Å; H11-E32 IonicContact NE2-OE1 3.27Å; H11-E32 PolarHBondContact NE2-OE1 2.83Å
12T96.8Very high95Very high86 Ų8664.5 Ų64.553%0.52833%0.327SS..EExtended strand (participates in β ladder)trans-108.3125.5169.648.20000109.8L3 F4L3-T12 CarbonylContact O-C 3.53Å; L3-T12 WeakPolarHBondContact O-CA 3.38Å; F4-T12 HydrophobicContact CD1-CG2 3.66Å; F4-T12 HydrophobicContact CE1-CG2 3.59Å
13L95.3Very high95.1Very high20 Ų2065.7 Ų65.711%0.10533%0.332CS..EExtended strand (participates in β ladder)trans-116.3134.3177.5-61.6-176.2000110.6Q2 L3 V5 V15 I24 H27 L31Q2-L13 CarbonylContact C-O 3.58Å; Q2-L13 WeakPolarHBondContact CA-O 3.45Å; L3-L13 PolarHBondContact N-O 3.36Å; L3-L13 PolarHBondContact O-N 3.49Å; V5-L13 HydrophobicContact CG2-CD1 3.61Å; V5-L13 HydrophobicContact CG2-CG 4.01Å; L13-V15 HydrophobicContact CB-CG1 4.08Å; L13-I24 HydrophobicContact CD1-CD1 4.32Å; L13-H27 HydrophobicContact CD1-CB 4.41Å; L13-L31 HydrophobicContact CD2-CD1 4.33Å
14E95.3Very high95.1Very high140 Ų14065.7 Ų65.765%0.65433%0.332SS*.EExtended strand (participates in β ladder)trans-91.8119.9165.6-79.5-64.8163.500109.2M1 Q2M1-E14 PolarHBondContact N-OE2 3.01Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.24Å
15V94.1Very high95Very high12 Ų1263.5 Ų63.57%0.07332%0.323CS..  trans-132.6156.8-175.5-57.60000110.8M1 L3 L13 E19 I24 L54M1-V15 HydrophobicContact CE-CG2 4.19Å; M1-V15 HydrophobicContact CG-CG2 3.64Å; M1-V15 WeakPolarHBondContact CG-O 3.4Å; M1-V15 PolarHBondContact N-O 3.22Å; M1-V15 WeakPolarHBondContact O-CG2 3.27Å; M1-V15 PolarHBondContact O-N 3.11Å; M1-V15 VanDerWaalsContact O-O 3.12Å; L3-V15 HydrophobicContact CD1-CG1 4.49Å; L3-V15 HydrophobicContact CD1-CG2 3.58Å; L3-V15 HydrophobicContact CG-CG2 3.84Å; L13-V15 HydrophobicContact CB-CG1 4.08Å; V15-E19 WeakPolarHBondContact CB-OE2 3.14Å; V15-I24 HydrophobicContact CG1-CD1 4.01Å; V15-L54 HydrophobicContact CB-CD1 4.23Å; V15-L54 HydrophobicContact CG1-CD1 4.46Å; V15-L54 HydrophobicContact CG2-CD1 3.89Å
16T92.4Very high95Very high106 Ų10665.9 Ų65.965%0.6534%0.342SS*.  trans-84.7-15.7176.663.10000112.9Q18 E19T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact OG1-N 3.45Å; T16-E19 WeakPolarHBondContact CB-OE1 3.37Å; T16-E19 PolarHBondContact N-OE1 2.64Å; T16-E19 PolarHBondContact N-OE2 3.24Å; T16-E19 PolarHBondContact OG1-OE1 3.25Å; T16-E19 PolarHBondContact OG1-OE2 2.76Å
17G88.4Confident94.9Very high6 Ų663.4 Ų63.46%0.06234%0.337CS..SBendtrans86.4-5.7-174.300000113.4E19 G55G17-E19 PolarHBondContact N-OE2 2.82Å; G17-G55 PolarHBondContact O-N 2.87Å
18Q92.9Very high95Very high143 Ų14362.3 Ų62.367%0.66833%0.328SS*.  trans-95.5-7.4174.6-62.9-61.6-40.700112.2T16T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact OG1-N 3.45Å
19E94.9Very high95.1Very high32 Ų3256.7 Ų56.715%0.1531%0.305CS..  trans-61.8146176.8-64.276.3-169.700110.7V15 T16 G17 Q23 T53 L54V15-E19 WeakPolarHBondContact CB-OE2 3.14Å; T16-E19 WeakPolarHBondContact CB-OE1 3.37Å; T16-E19 PolarHBondContact N-OE1 2.64Å; T16-E19 PolarHBondContact N-OE2 3.24Å; T16-E19 PolarHBondContact OG1-OE1 3.25Å; T16-E19 PolarHBondContact OG1-OE2 2.76Å; G17-E19 PolarHBondContact N-OE2 2.82Å; E19-Q23 HydrophobicContact CB-CB 4.41Å; E19-Q23 VanDerWaalsContact CB-OE1 3.29Å; E19-T53 CarbonylContact O-C 3.6Å; E19-T53 WeakPolarHBondContact O-CA 3.46Å; E19-L54 HydrophobicContact CB-CD1 4.1Å; E19-L54 WeakPolarHBondContact O-CG 3.49Å; E19-L54 PolarHBondContact O-N 3.27Å
20T97.1Very high95.2Very high33 Ų3354.4 Ų54.420%0.20231%0.305CS..BIsolated β-bridgetrans-83.6158.9172.662.30000111.1A22 Q23 I24 A52 T53T20-A22 PolarHBondContact O-N 3.38Å; T20-Q23 WeakPolarHBondContact O-CB 3.48Å; T20-Q23 PolarHBondContact O-N 2.99Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.22Å; T20-Q23 PolarHBondContact OG1-N 3.39Å; T20-I24 PolarHBondContact O-N 3.24Å; T20-A52 WeakPolarHBondContact CA-O 3.5Å; T20-T53 HydrophobicContact CG2-CG2 4.27Å
21V96.6Very high95.1Very high0 Ų053.1 Ų53.10%030%0.298CS..Hα-helixtrans-59.9-34.9174.3178.30000111.1Q23 I24 K25 V41 L48 E49 A52V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; V21-I24 PolarHBondContact O-N 3.03Å; V21-I24 VanDerWaalsContact O-N 3.15Å; V21-K25 WeakPolarHBondContact O-CG 3.45Å; V21-K25 PolarHBondContact O-N 2.87Å; V21-V41 HydrophobicContact CG1-CB 3.77Å; V21-V41 HydrophobicContact CG1-CG1 4.26Å; V21-V41 HydrophobicContact CG1-CG2 3.9Å; V21-L48 HydrophobicContact CG1-CB 4.16Å; V21-L48 HydrophobicContact CG2-CB 3.76Å; V21-L48 HydrophobicContact CG2-CD1 4.06Å; V21-E49 WeakPolarHBondContact CB-O 3.31Å; V21-E49 WeakPolarHBondContact CG2-O 3.39Å; V21-A52 PolarHBondContact N-O 3.47Å
22A96.9Very high94.9Very high40 Ų4052.9 Ų52.933%0.33130%0.297SS..Hα-helixtrans-57.6-39.5172.900000113T20 K25 A26 D50T20-A22 PolarHBondContact O-N 3.38Å; A22-K25 PolarHBondContact O-N 2.78Å; A22-A26 PolarHBondContact O-N 3.17Å; A22-D50 HydrophobicContact CB-CB 4.16Å; A22-D50 WeakPolarHBondContact CB-O 3.38Å; A22-D50 PolarHBondContact N-O 2.95Å; A22-D50 VanDerWaalsContact N-O 3.11Å
23Q96.4Very high94.7Very high94 Ų9452.1 Ų52.144%0.43931%0.306SS..Hα-helixtrans-67.2-40.2176.6-70.3169.8-20.400111.2E19 T20 V21 K25 A26 H27E19-Q23 HydrophobicContact CB-CB 4.41Å; E19-Q23 VanDerWaalsContact CB-OE1 3.29Å; T20-Q23 WeakPolarHBondContact O-CB 3.48Å; T20-Q23 PolarHBondContact O-N 2.99Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.22Å; T20-Q23 PolarHBondContact OG1-N 3.39Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.14Å; Q23-A26 WeakPolarHBondContact O-CB 3.42Å; Q23-A26 PolarHBondContact O-N 3.35Å; Q23-H27 PolarHBondContact O-CD2 3.04Å; Q23-H27 PolarHBondContact O-N 2.97Å
24I95.8Very high94.5Very high1 Ų152.9 Ų52.91%0.00531%0.31CS..Hα-helixtrans-62.4-42.4174.5-59.1-65.6000111.1L13 V15 T20 V21 A26 H27 V28 L54 L65L13-I24 HydrophobicContact CD1-CD1 4.32Å; V15-I24 HydrophobicContact CG1-CD1 4.01Å; T20-I24 PolarHBondContact O-N 3.24Å; V21-I24 PolarHBondContact O-N 3.03Å; V21-I24 VanDerWaalsContact O-N 3.15Å; I24-A26 VanDerWaalsContact C-N 3.31Å; I24-A26 PolarHBondContact O-N 2.9Å; I24-H27 WeakPolarHBondContact O-CB 3.43Å; I24-H27 PolarHBondContact O-N 2.83Å; I24-V28 HydrophobicContact CG2-CG2 4.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.3Å; I24-L54 HydrophobicContact CD1-CD1 3.92Å; I24-L54 HydrophobicContact CG1-CD1 4.16Å; I24-L54 HydrophobicContact CG1-CD2 4.1Å; I24-L54 HydrophobicContact CG1-CG 4.39Å; I24-L65 HydrophobicContact CG2-CD1 4.36Å
25K96.3Very high94.4Very high15 Ų1547.8 Ų47.87%0.06529%0.291CS..Hα-helixtrans-59.8-41.3174.6-72-179.9173.9-175.70112.6V21 A22 Q23 V28 A29 P36 Q39 V41 D50V21-K25 WeakPolarHBondContact O-CG 3.45Å; V21-K25 PolarHBondContact O-N 2.87Å; A22-K25 PolarHBondContact O-N 2.78Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.14Å; K25-V28 PolarHBondContact O-N 3.2Å; K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.28Å; K25-P36 HydrophobicContact CB-CB 4.14Å; K25-Q39 HydrophobicContact CD-CB 4.27Å; K25-Q39 VanDerWaalsContact CE-O 3.22Å; K25-Q39 WeakPolarHBondContact CE-O 3.32Å; K25-Q39 HydrophobicContact CG-CB 4.11Å; K25-Q39 PolarHBondContact NZ-O 2.96Å; K25-Q39 VanDerWaalsContact NZ-O 3.07Å; K25-Q39 PolarHBondContact O-NE2 2.91Å; K25-Q39 PolarHBondContact O-OE1 3.48Å; K25-Q39 VanDerWaalsContact O-OE1 3.11Å; K25-V41 HydrophobicContact CD-CG2 4.35Å; K25-V41 HydrophobicContact CG-CG2 3.51Å; K25-D50 WeakPolarHBondContact CD-OD1 3.45Å; K25-D50 WeakPolarHBondContact CE-OD1 3.35Å; K25-D50 IonicContact NZ-OD1 2.63Å; K25-D50 PolarHBondContact NZ-OD1 2.67Å; K25-D50 IonicContact NZ-OD2 3.36Å; K25-D50 PolarHBondContact NZ-OD2 2.76Å
26A96.4Very high94.4Very high50 Ų5049.6 Ų49.641%0.41330%0.304SS..Hα-helixtrans-63.5-41.2176.100000112.1A22 Q23 I24 A29 S30A22-A26 PolarHBondContact O-N 3.17Å; Q23-A26 WeakPolarHBondContact O-CB 3.42Å; Q23-A26 PolarHBondContact O-N 3.35Å; I24-A26 VanDerWaalsContact C-N 3.31Å; I24-A26 PolarHBondContact O-N 2.9Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 3.11Å; A26-S30 PolarHBondContact O-N 3.43Å; A26-S30 VanDerWaalsContact O-N 3.1Å
27H94.9Very high94.4Very high102 Ų10251.2 Ų51.247%0.47230%0.304SS..Hα-helixtrans-60.4-49.3173.5-85.2-76.7000112L13 Q23 I24 A29 S30 L31L13-H27 HydrophobicContact CD1-CB 4.41Å; Q23-H27 PolarHBondContact O-CD2 3.04Å; Q23-H27 PolarHBondContact O-N 2.97Å; I24-H27 WeakPolarHBondContact O-CB 3.43Å; I24-H27 PolarHBondContact O-N 2.83Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.96Å; H27-S30 PolarHBondContact O-N 2.92Å; H27-S30 PolarHBondContact O-OG 2.93Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 3.03Å
28V95.1Very high94.6Very high1 Ų153.7 Ų53.71%0.00632%0.316CS..Hα-helixtrans-62.7-36.5177.2176.20000111.4V5 A7 I24 K25 S30 L31 E32 V67V5-V28 HydrophobicContact CG1-CG2 3.72Å; A7-V28 HydrophobicContact CB-CG1 4.23Å; I24-V28 HydrophobicContact CG2-CG2 4.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.3Å; K25-V28 PolarHBondContact O-N 3.2Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.15Å; V28-L31 PolarHBondContact O-N 3.18Å; V28-L31 VanDerWaalsContact O-N 3.14Å; V28-E32 HydrophobicContact CG1-CG 4.38Å; V28-E32 PolarHBondContact O-N 2.79Å; V28-V67 HydrophobicContact CG1-CG1 4.18Å; V28-V67 HydrophobicContact CG2-CG2 4.26Å
29A95.1Very high94.6Very high19 Ų1946.9 Ų46.916%0.15728%0.284CS..Hα-helixtrans-60.6-41.2176.200000111.9K25 A26 H27 L31 G33 I34 P36 Q39K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.28Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 3.11Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.96Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 2.84Å; A29-G33 VanDerWaalsContact O-CA 3.25Å; A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 2.9Å; A29-I34 VanDerWaalsContact CA-O 3.22Å; A29-I34 WeakPolarHBondContact CA-O 3.35Å; A29-I34 WeakPolarHBondContact CB-O 3.35Å; A29-P36 HydrophobicContact CB-CG 3.95Å; A29-Q39 VanDerWaalsContact N-NE2 3.16Å
30S95Very high94.7Very high93 Ų9346.9 Ų46.965%0.6529%0.286SS*.Hα-helixtrans-67.6-29.7176.573.50000114A26 H27 V28A26-S30 PolarHBondContact O-N 3.43Å; A26-S30 VanDerWaalsContact O-N 3.1Å; H27-S30 PolarHBondContact O-N 2.92Å; H27-S30 PolarHBondContact O-OG 2.93Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.15Å
31L94.1Very high94.6Very high89 Ų8945.3 Ų45.347%0.46628%0.276SS..Hα-helixtrans-84.9-41.5-177.7-68.9174000111.7H11 L13 H27 V28 A29H11-L31 HydrophobicContact CB-CD1 4.25Å; L13-L31 HydrophobicContact CD2-CD1 4.33Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 3.03Å; V28-L31 PolarHBondContact O-N 3.18Å; V28-L31 VanDerWaalsContact O-N 3.14Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 2.84Å
32E93.2Very high94.7Very high29 Ų2946.7 Ų46.714%0.13628%0.284CS..Hα-helixtrans-113.7-7.8-169.5-60.6-155.3157.200114.8A7 Q8 E9 H11 V28 I34A7-E32 WeakPolarHBondContact CB-OE1 3.47Å; A7-E32 WeakPolarHBondContact CB-OE2 3.43Å; Q8-E32 WeakPolarHBondContact CA-OE1 3.41Å; Q8-E32 WeakPolarHBondContact CB-OE1 3.48Å; Q8-E32 WeakPolarHBondContact CB-OE2 3.42Å; Q8-E32 WeakPolarHBondContact CG-OE2 3.48Å; Q8-E32 VanDerWaalsContact N-CD 3.26Å; Q8-E32 PolarHBondContact N-OE1 2.68Å; Q8-E32 PolarHBondContact N-OE2 2.75Å; Q8-E32 PolarHBondContact NE2-O 3Å; E9-E32 PolarHBondContact N-OE1 2.87Å; H11-E32 IonicContact CD2-OE1 3.78Å; H11-E32 IonicContact NE2-OE1 3.27Å; H11-E32 PolarHBondContact NE2-OE1 2.83Å; V28-E32 HydrophobicContact CG1-CG 4.38Å; V28-E32 PolarHBondContact O-N 2.79Å; E32-I34 VanDerWaalsContact C-N 3.29Å; E32-I34 HydrophobicContact CB-CG1 4.44Å; E32-I34 PolarHBondContact O-N 2.91Å
33G91.8Very high94.6Very high70 Ų7046.5 Ų46.572%0.72228%0.277SS*.  trans73.413.9178.600000115.2A29A29-G33 VanDerWaalsContact O-CA 3.25Å; A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 2.9Å
34I91.1Very high94.5Very high35 Ų3546.6 Ų46.618%0.17929%0.294CS..  trans-87.6126.6173.5-54.4175.9000108.7Q8 A29 E32 D38 Q39Q8-I34 HydrophobicContact CG-CD1 4.46Å; A29-I34 VanDerWaalsContact CA-O 3.22Å; A29-I34 WeakPolarHBondContact CA-O 3.35Å; A29-I34 WeakPolarHBondContact CB-O 3.35Å; E32-I34 VanDerWaalsContact C-N 3.29Å; E32-I34 HydrophobicContact CB-CG1 4.44Å; E32-I34 PolarHBondContact O-N 2.91Å; I34-D38 HydrophobicContact CG2-CB 4Å; I34-Q39 HydrophobicContact CB-CG 4.12Å; I34-Q39 HydrophobicContact CG2-CG 3.66Å; I34-Q39 PolarHBondContact O-NE2 3.36Å
35A92.9Very high94.3Very high33 Ų3349 Ų4927%0.27332%0.318SS..  trans-60142.2178.400000111.6E37 D38 Q39A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 HydrophobicContact CB-CG 4.13Å; A35-E37 PolarHBondContact O-N 3.39Å; A35-D38 WeakPolarHBondContact O-CA 3.49Å; A35-D38 PolarHBondContact O-N 3.07Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.36Å
36P94.5Very high94.3Very high51 Ų5152.5 Ų52.533%0.33134%0.341SS..G310 helixtrans-55.1-36.8-179.3-27.135.4000114.1K25 A29 D38 Q39K25-P36 HydrophobicContact CB-CB 4.14Å; A29-P36 HydrophobicContact CB-CG 3.95Å; P36-D38 PolarHBondContact O-N 2.95Å; P36-Q39 PolarHBondContact O-N 2.63Å; P36-Q39 VanDerWaalsContact O-N 3.11Å
37E92.2Very high94.3Very high139 Ų13953.9 Ų53.965%0.6535%0.346SS*.G310 helixtrans-62.8-27.7175.255.6-100.3-156.900114.1A35 Q39A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 HydrophobicContact CB-CG 4.13Å; A35-E37 PolarHBondContact O-N 3.39Å; E37-Q39 VanDerWaalsContact C-N 3.33Å
38D92.6Very high94.3Very high59 Ų5950.2 Ų50.232%0.31633%0.33SS..G310 helixtrans-90.10.5178.3-70.7-31.8000111.8I34 A35 P36 G69 R70I34-D38 HydrophobicContact CG2-CB 4Å; A35-D38 WeakPolarHBondContact O-CA 3.49Å; A35-D38 PolarHBondContact O-N 3.07Å; P36-D38 PolarHBondContact O-N 2.95Å; D38-G69 CarbonylContact O-C 3.43Å; D38-G69 VanDerWaalsContact O-CA 3.29Å; D38-G69 WeakPolarHBondContact O-CA 3.48Å; D38-R70 PolarHBondContact O-N 2.93Å
39Q94.6Very high94.4Very high0 Ų057.3 Ų57.30%036%0.363CS..EExtended strand (participates in β ladder)trans-98.1141.1177.9-65.317728.300112.4K25 A29 I34 A35 P36 E37 V67K25-Q39 HydrophobicContact CD-CB 4.27Å; K25-Q39 VanDerWaalsContact CE-O 3.22Å; K25-Q39 WeakPolarHBondContact CE-O 3.32Å; K25-Q39 HydrophobicContact CG-CB 4.11Å; K25-Q39 PolarHBondContact NZ-O 2.96Å; K25-Q39 VanDerWaalsContact NZ-O 3.07Å; K25-Q39 PolarHBondContact O-NE2 2.91Å; K25-Q39 PolarHBondContact O-OE1 3.48Å; K25-Q39 VanDerWaalsContact O-OE1 3.11Å; A29-Q39 VanDerWaalsContact N-NE2 3.16Å; I34-Q39 HydrophobicContact CB-CG 4.12Å; I34-Q39 HydrophobicContact CG2-CG 3.66Å; I34-Q39 PolarHBondContact O-NE2 3.36Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.36Å; P36-Q39 PolarHBondContact O-N 2.63Å; P36-Q39 VanDerWaalsContact O-N 3.11Å; E37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-V67 HydrophobicContact CB-CG1 3.96Å; Q39-V67 HydrophobicContact CG-CG1 4.09Å
40V95.4Very high94.4Very high31 Ų3159.3 Ų59.319%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-121.7112.3167.1-173.50000108L42 P47 V67 A68 R70V40-L42 HydrophobicContact CG1-CD1 4.48Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; V40-P47 HydrophobicContact CG1-CB 3.89Å; V40-V67 WeakPolarHBondContact O-CA 3.25Å; V40-A68 PolarHBondContact N-O 2.89Å; V40-A68 PolarHBondContact O-N 3.35Å; V40-R70 HydrophobicContact CG2-CG 3.74Å
41V96.3Very high94.4Very high1 Ų162.8 Ų62.81%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-88130.9174.8-1760000108.3V21 K25 P47 L48 L65 E66 V67V21-V41 HydrophobicContact CG1-CB 3.77Å; V21-V41 HydrophobicContact CG1-CG1 4.26Å; V21-V41 HydrophobicContact CG1-CG2 3.9Å; K25-V41 HydrophobicContact CD-CG2 4.35Å; K25-V41 HydrophobicContact CG-CG2 3.51Å; V41-P47 WeakPolarHBondContact O-CA 3.05Å; V41-L48 HydrophobicContact CG1-CD1 4.37Å; V41-L48 PolarHBondContact O-N 3.22Å; V41-L65 HydrophobicContact CG1-CB 4.27Å; V41-L65 HydrophobicContact CG1-CD1 4.18Å; V41-L65 HydrophobicContact CG1-CD2 4.43Å; V41-E66 CarbonylContact C-O 3.51Å; V41-E66 WeakPolarHBondContact CA-O 3.29Å; V41-V67 HydrophobicContact CG1-CG2 4.5Å; V41-V67 HydrophobicContact CG2-CG1 4.44Å; V41-V67 HydrophobicContact CG2-CG2 4.12Å
42L97Very high94.5Very high29 Ų2959.5 Ų59.515%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-126.2138.3-173.6-60.7134.4000109.9V40 G45 T46 P47 E66 A68V40-L42 HydrophobicContact CG1-CD1 4.48Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; L42-G45 WeakPolarHBondContact CD2-O 3.38Å; L42-T46 CarbonylContact C-O 3.54Å; L42-T46 VanDerWaalsContact CA-O 3.27Å; L42-T46 WeakPolarHBondContact CA-O 3.22Å; L42-P47 HydrophobicContact CD2-CB 4.15Å; L42-E66 HydrophobicContact CB-CB 4.2Å; L42-E66 HydrophobicContact CD1-CB 4.4Å; L42-E66 PolarHBondContact N-O 2.7Å; L42-E66 PolarHBondContact O-N 3.21Å; L42-A68 HydrophobicContact CD1-CB 4.06Å
43L96.1Very high94.6Very high35 Ų3559.3 Ų59.318%0.18336%0.363CS..EExtended strand (participates in β ladder)trans-113.7119165.2-179.665.6000108.4G45 T46 L48 C57 V59 T63 L65L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.17Å; L43-T46 PolarHBondContact N-O 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3Å; L43-L48 HydrophobicContact CB-CD1 4.17Å; L43-L48 HydrophobicContact CB-CD2 4.1Å; L43-L48 HydrophobicContact CB-CG 4.33Å; L43-C57 WeakPolarHBondContact CD2-O 3.45Å; L43-V59 HydrophobicContact CD2-CG2 4.06Å; L43-T63 HydrophobicContact CD1-CG2 3.46Å; L43-T63 VanDerWaalsContact CD1-CG2 3.46Å; L43-L65 HydrophobicContact CB-CD2 4.21Å; L43-L65 HydrophobicContact CD1-CD2 4.04Å
44A93.6Very high94.8Very high97 Ų9756 Ų5680%0.80233%0.329SS*.THydrogen-bonded Turntrans49.640.7-176.800000113.3T46A44-T46 VanDerWaalsContact C-N 3.26Å; A44-T46 PolarHBondContact O-N 3.41Å
45G93.1Very high94.8Very high50 Ų5056.5 Ų56.552%0.51534%0.343SS..THydrogen-bonded Turntrans77.50-178.400000115.5L42 L43L42-G45 WeakPolarHBondContact CD2-O 3.38Å; L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.17Å
46T94.8Very high94.9Very high90 Ų9061.9 Ų61.955%0.55236%0.362SS*.EExtended strand (participates in β ladder)trans-96123.8176.2-54.30000110L42 L43 A44L42-T46 CarbonylContact C-O 3.54Å; L42-T46 VanDerWaalsContact CA-O 3.27Å; L42-T46 WeakPolarHBondContact CA-O 3.22Å; L43-T46 PolarHBondContact N-O 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3Å; A44-T46 VanDerWaalsContact C-N 3.26Å; A44-T46 PolarHBondContact O-N 3.41Å
47P96.2Very high94.8Very high78 Ų7860.8 Ų60.851%0.50636%0.356SS..EExtended strand (participates in β ladder)trans-69.3138.9-179.728.6-34.2000110.3V40 V41 L42V40-P47 HydrophobicContact CG1-CB 3.89Å; V41-P47 WeakPolarHBondContact O-CA 3.05Å; L42-P47 HydrophobicContact CD2-CB 4.15Å
48L96.1Very high94.7Very high25 Ų2556.5 Ų56.513%0.13135%0.349CS..PPolyproline II helixtrans-98.7147177.5-54.2-179.1000111.1V21 V41 L43 C57 L65V21-L48 HydrophobicContact CG1-CB 4.16Å; V21-L48 HydrophobicContact CG2-CB 3.76Å; V21-L48 HydrophobicContact CG2-CD1 4.06Å; V41-L48 HydrophobicContact CG1-CD1 4.37Å; V41-L48 PolarHBondContact O-N 3.22Å; L43-L48 HydrophobicContact CB-CD1 4.17Å; L43-L48 HydrophobicContact CB-CD2 4.1Å; L43-L48 HydrophobicContact CB-CG 4.33Å; L48-C57 HydrophobicContact CD1-CB 3.94Å; L48-C57 HydrophobicContact CD2-CB 3.96Å; L48-L65 HydrophobicContact CD1-CD2 4.27Å
49E95.9Very high94.8Very high150 Ų15054.1 Ų54.170%0.70134%0.336SS*.PPolyproline II helixtrans-83.4144.9178.4-64.9-64.6161.300111.4V21 E51 A52V21-E49 WeakPolarHBondContact CB-O 3.31Å; V21-E49 WeakPolarHBondContact CG2-O 3.39Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 2.8Å; E49-A52 PolarHBondContact O-N 2.97Å
50D95.6Very high94.8Very high62 Ų6261 Ų6133%0.33237%0.368SS..THydrogen-bonded Turntrans-63.5-33.2-171.2-76.5-15.8000114A22 K25A22-D50 HydrophobicContact CB-CB 4.16Å; A22-D50 WeakPolarHBondContact CB-O 3.38Å; A22-D50 PolarHBondContact N-O 2.95Å; A22-D50 VanDerWaalsContact N-O 3.11Å; K25-D50 WeakPolarHBondContact CD-OD1 3.45Å; K25-D50 WeakPolarHBondContact CE-OD1 3.35Å; K25-D50 IonicContact NZ-OD1 2.63Å; K25-D50 PolarHBondContact NZ-OD1 2.67Å; K25-D50 IonicContact NZ-OD2 3.36Å; K25-D50 PolarHBondContact NZ-OD2 2.76Å
51E95.6Very high94.7Very high166 Ų16662.4 Ų62.478%0.77638%0.384SS*.THydrogen-bonded Turntrans-82.3-14.2-178.6-59.2-57.5145.100113.5E49E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 2.8Å
52A95.9Very high94.5Very high19 Ų1967.5 Ų67.516%0.15741%0.41CS..SBendtrans-75.7139.3-178.500000110.6T20 V21 E49 C57T20-A52 WeakPolarHBondContact CA-O 3.5Å; V21-A52 PolarHBondContact N-O 3.47Å; E49-A52 PolarHBondContact O-N 2.97Å; A52-C57 WeakPolarHBondContact CB-SG 3.17Å
53T96Very high94.5Very high25 Ų2567.6 Ų67.615%0.15341%0.412CS..BIsolated β-bridgetrans-79.2154.3171.666.90000111E19 T20 G55 Q56 C57E19-T53 CarbonylContact O-C 3.6Å; E19-T53 WeakPolarHBondContact O-CA 3.46Å; T20-T53 HydrophobicContact CG2-CG2 4.27Å; T53-G55 PolarHBondContact O-N 3.38Å; T53-Q56 VanDerWaalsContact N-OE1 3.1Å; T53-Q56 WeakPolarHBondContact O-CB 3.09Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-Q56 VanDerWaalsContact OG1-CG 3.25Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.4Å; T53-Q56 PolarHBondContact OG1-N 3.39Å; T53-C57 PolarHBondContact O-N 2.67Å; T53-C57 PolarHBondContact O-SG 3.21Å; T53-C57 VanDerWaalsContact O-SG 3.39Å
54L94.6Very high94.5Very high1 Ų169.1 Ų69.11%0.00542%0.423CS..THydrogen-bonded Turntrans-53.8-42.3177.2-70.7177000112.2L3 V15 E19 I24 Q56 C57 G58 V59 L65L3-L54 HydrophobicContact CD1-CD1 3.87Å; V15-L54 HydrophobicContact CB-CD1 4.23Å; V15-L54 HydrophobicContact CG1-CD1 4.46Å; V15-L54 HydrophobicContact CG2-CD1 3.89Å; E19-L54 HydrophobicContact CB-CD1 4.1Å; E19-L54 WeakPolarHBondContact O-CG 3.49Å; E19-L54 PolarHBondContact O-N 3.27Å; I24-L54 HydrophobicContact CD1-CD1 3.92Å; I24-L54 HydrophobicContact CG1-CD1 4.16Å; I24-L54 HydrophobicContact CG1-CD2 4.1Å; I24-L54 HydrophobicContact CG1-CG 4.39Å; L54-Q56 PolarHBondContact O-N 2.87Å; L54-C57 PolarHBondContact O-N 2.82Å; L54-G58 PolarHBondContact O-N 3.47Å; L54-V59 HydrophobicContact CB-CB 4.13Å; L54-V59 HydrophobicContact CD2-CB 4.23Å; L54-V59 HydrophobicContact CD2-CG1 4.25Å; L54-V59 HydrophobicContact CD2-CG2 4Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.42Å; L54-V59 PolarHBondContact O-N 3.11Å; L54-L65 HydrophobicContact CD2-CD1 4.1Å
55G92.3Very high94.7Very high46 Ų4664.5 Ų64.547%0.47439%0.385SS..THydrogen-bonded Turntrans-62.4-38.617500000113.8G17 T53 C57 G58G17-G55 PolarHBondContact O-N 2.87Å; T53-G55 PolarHBondContact O-N 3.38Å; G55-C57 VanDerWaalsContact C-N 3.3Å; G55-C57 PolarHBondContact O-N 3.14Å; G55-G58 PolarHBondContact O-N 3.36Å
56Q93.7Very high94.9Very high146 Ų14666.1 Ų66.168%0.68238%0.379SS*.THydrogen-bonded Turntrans-68.2-31.8176.2-72.9168.4-1000112.4T53 L54 G58T53-Q56 VanDerWaalsContact N-OE1 3.1Å; T53-Q56 WeakPolarHBondContact O-CB 3.09Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-Q56 VanDerWaalsContact OG1-CG 3.25Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.4Å; T53-Q56 PolarHBondContact OG1-N 3.39Å; L54-Q56 PolarHBondContact O-N 2.87Å; Q56-G58 PolarHBondContact O-N 3.11Å
57C92.2Very high94.9Very high28 Ų2862.5 Ų62.519%0.18936%0.357CS..THydrogen-bonded Turntrans-76.7-2.7176.2-65.50000113.4L43 L48 A52 T53 L54 G55 V59L43-C57 WeakPolarHBondContact CD2-O 3.45Å; L48-C57 HydrophobicContact CD1-CB 3.94Å; L48-C57 HydrophobicContact CD2-CB 3.96Å; A52-C57 WeakPolarHBondContact CB-SG 3.17Å; T53-C57 PolarHBondContact O-N 2.67Å; T53-C57 PolarHBondContact O-SG 3.21Å; T53-C57 VanDerWaalsContact O-SG 3.39Å; L54-C57 PolarHBondContact O-N 2.82Å; G55-C57 VanDerWaalsContact C-N 3.3Å; G55-C57 PolarHBondContact O-N 3.14Å; C57-V59 VanDerWaalsContact C-N 3.35Å; C57-V59 HydrophobicContact CB-CG2 3.96Å
58G92.1Very high94.8Very high49 Ų4961 Ų6151%0.50535%0.35SS..THydrogen-bonded Turntrans72.128.1-176.600000113.2L54 G55 Q56L54-G58 PolarHBondContact O-N 3.47Å; G55-G58 PolarHBondContact O-N 3.36Å; Q56-G58 PolarHBondContact O-N 3.11Å
59V93.9Very high94.5Very high8 Ų861.7 Ų61.75%0.04836%0.364CS..  trans-82.9120.3177.1-178.90000109.2M1 L3 L43 L54 C57 T63 L65M1-V59 HydrophobicContact CE-CG1 4.03Å; L3-V59 HydrophobicContact CD1-CG1 3.77Å; L3-V59 HydrophobicContact CD2-CG1 3.59Å; L3-V59 HydrophobicContact CG-CG1 4.35Å; L43-V59 HydrophobicContact CD2-CG2 4.06Å; L54-V59 HydrophobicContact CB-CB 4.13Å; L54-V59 HydrophobicContact CD2-CB 4.23Å; L54-V59 HydrophobicContact CD2-CG1 4.25Å; L54-V59 HydrophobicContact CD2-CG2 4Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.42Å; L54-V59 PolarHBondContact O-N 3.11Å; C57-V59 VanDerWaalsContact C-N 3.35Å; C57-V59 HydrophobicContact CB-CG2 3.96Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-L65 HydrophobicContact CG2-CD2 4.01Å
60E93.6Very high93.9Very high144 Ų14462.1 Ų62.167%0.67336%0.359SS*.  trans-108.1172.8-179.7-63.9-175.2173.800112M1 L3 T63M1-E60 VanDerWaalsContact CE-O 3.27Å; M1-E60 WeakPolarHBondContact CE-O 3.4Å; L3-E60 WeakPolarHBondContact CD2-O 3.48Å; E60-T63 VanDerWaalsContact C-OG1 3.26Å; E60-T63 PolarHBondContact N-OG1 2.78Å; E60-T63 VanDerWaalsContact N-OG1 3.11Å; E60-T63 VanDerWaalsContact O-CB 3.24Å; E60-T63 WeakPolarHBondContact O-CB 3.45Å; E60-T63 PolarHBondContact O-N 3.1Å; E60-T63 PolarHBondContact O-OG1 2.83Å
61A93.3Very high92.7Very high62 Ų6267.5 Ų67.551%0.51238%0.384SS..THydrogen-bonded Turntrans-58.1141.617500000111.4M1 T63M1-A61 HydrophobicContact CB-CB 4.16Å; A61-T63 PolarHBondContact O-N 3.04Å
62L93.9Very high91.3Very high107 Ų10767.5 Ų67.556%0.5639%0.389SS*.THydrogen-bonded Turntrans64.611.6-178.6-49.6175.2000114.7Q2 F4Q2-L62 HydrophobicContact CB-CD2 4.28Å; Q2-L62 PolarHBondContact O-N 3.33Å; F4-L62 WeakPolarHBondContact CD2-O 3.49Å; F4-L62 HydrophobicContact CE2-CB 4.15Å; F4-L62 HydrophobicContact CE2-CD2 4.07Å; F4-L62 HydrophobicContact CZ-CD2 4.38Å
63T95.6Very high89.9Confident32 Ų3270 Ų7020%0.19642%0.416CS..PPolyproline II helixtrans-68.3146.2173.4-520000110.4F4 L43 V59 E60 A61F4-T63 PolarHBondContact N-O 3.31Å; L43-T63 HydrophobicContact CD1-CG2 3.46Å; L43-T63 VanDerWaalsContact CD1-CG2 3.46Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; E60-T63 VanDerWaalsContact C-OG1 3.26Å; E60-T63 PolarHBondContact N-OG1 2.78Å; E60-T63 VanDerWaalsContact N-OG1 3.11Å; E60-T63 VanDerWaalsContact O-CB 3.24Å; E60-T63 WeakPolarHBondContact O-CB 3.45Å; E60-T63 PolarHBondContact O-N 3.1Å; E60-T63 PolarHBondContact O-OG1 2.83Å; A61-T63 PolarHBondContact O-N 3.04Å
64T96.9Very high88.4Confident67 Ų6771.9 Ų71.941%0.41144%0.441SS..EExtended strand (participates in β ladder)trans-100119.8172.4-54.30000110.2F4 R6F4-T64 HydrophobicContact CB-CG2 4.21Å; F4-T64 CarbonylContact O-C 3.59Å; F4-T64 VanDerWaalsContact O-CA 3.26Å; F4-T64 WeakPolarHBondContact O-CA 3.33Å; R6-T64 HydrophobicContact CB-CG2 4.05Å
65L96.8Very high86.7Confident0 Ų081.4 Ų81.40%048%0.483CS..EExtended strand (participates in β ladder)trans-92.4137168.1-65176.4000109.2L3 F4 V5 R6 I24 V41 L43 L48 L54 V59L3-L65 HydrophobicContact CD1-CD1 4.28Å; F4-L65 PolarHBondContact O-N 3.42Å; V5-L65 WeakPolarHBondContact CA-O 3.09Å; R6-L65 PolarHBondContact N-O 3.38Å; I24-L65 HydrophobicContact CG2-CD1 4.36Å; V41-L65 HydrophobicContact CG1-CB 4.27Å; V41-L65 HydrophobicContact CG1-CD1 4.18Å; V41-L65 HydrophobicContact CG1-CD2 4.43Å; L43-L65 HydrophobicContact CB-CD2 4.21Å; L43-L65 HydrophobicContact CD1-CD2 4.04Å; L48-L65 HydrophobicContact CD1-CD2 4.27Å; L54-L65 HydrophobicContact CD2-CD1 4.1Å; V59-L65 HydrophobicContact CG2-CD2 4.01Å
66E97.2Very high85.2Confident83 Ų8385.5 Ų85.539%0.38850%0.498SS..EExtended strand (participates in β ladder)trans-98.3133.9172.3-64-178.1160.300109.1R6 V41 L42R6-E66 CarbonylContact O-C 3.55Å; R6-E66 WeakPolarHBondContact O-CA 3.22Å; V41-E66 CarbonylContact C-O 3.51Å; V41-E66 WeakPolarHBondContact CA-O 3.29Å; L42-E66 HydrophobicContact CB-CB 4.2Å; L42-E66 HydrophobicContact CD1-CB 4.4Å; L42-E66 PolarHBondContact N-O 2.7Å; L42-E66 PolarHBondContact O-N 3.21Å
67V96Very high83.4Confident15 Ų1587.6 Ų87.69%0.09151%0.507CS..EExtended strand (participates in β ladder)trans-119118.3174.8-171.20000109.1V5 R6 A7 V28 Q39 V40 V41V5-V67 HydrophobicContact CG1-CG2 3.58Å; R6-V67 PolarHBondContact O-N 3.38Å; A7-V67 HydrophobicContact CB-CB 3.88Å; V28-V67 HydrophobicContact CG1-CG1 4.18Å; V28-V67 HydrophobicContact CG2-CG2 4.26Å; Q39-V67 HydrophobicContact CB-CG1 3.96Å; Q39-V67 HydrophobicContact CG-CG1 4.09Å; V40-V67 WeakPolarHBondContact O-CA 3.25Å; V41-V67 HydrophobicContact CG1-CG2 4.5Å; V41-V67 HydrophobicContact CG2-CG1 4.44Å; V41-V67 HydrophobicContact CG2-CG2 4.12Å
68A92.9Very high82.3Confident45 Ų4589.2 Ų89.237%0.37253%0.528SS..EExtended strand (participates in β ladder)trans-107.4135.6177.200000110.4V40 L42V40-A68 PolarHBondContact N-O 2.89Å; V40-A68 PolarHBondContact O-N 3.35Å; L42-A68 HydrophobicContact CD1-CB 4.06Å
69G89.5Confident81.3Confident40 Ų4091.2 Ų91.241%0.41254%0.535SS..EExtended strand (participates in β ladder)trans-76.7133.116900000111.6D38 M71D38-G69 CarbonylContact O-C 3.43Å; D38-G69 VanDerWaalsContact O-CA 3.29Å; D38-G69 WeakPolarHBondContact O-CA 3.48Å; G69-M71 PolarHBondContact O-N 3.21Å
70R83.5Confident80.7Confident159 Ų15998.1 Ų98.160%0.657%0.57SS**  trans-70.3119.4167.5-67.1-175.1173.1-167.90.1108D38 V40D38-R70 PolarHBondContact O-N 2.93Å; V40-R70 HydrophobicContact CG2-CG 3.74Å
71M72Confident80.1Confident175 Ų17595.5 Ų95.586%0.86257%0.574SS**  trans-91.7115.3173-65.8-17170.200110G69 G73G69-M71 PolarHBondContact O-N 3.21Å; M71-G73 PolarHBondContact O-N 3.42Å
72L66.3Low79.6Confident166 Ų166101.9 Ų101.987%0.86958%0.584SS**SBendtrans-76.3115.4165.7-67.7173.5000109.2
73G65.1Low79.4Confident71 Ų71100.5 Ų100.573%0.73259%0.589SS**  trans102.287.5172.300000114.7M71M71-G73 PolarHBondContact O-N 3.42Å
74G65.3Low79.3Confident66 Ų66101.5 Ų101.568%0.6861%0.605SS**  trans-85.5145.3160.100000110.9V76G74-V76 PolarHBondContact O-N 2.97Å
75K58.6Low79.2Confident201 Ų201104 Ų10487%0.87461%0.611SS**  trans-61.897.3172.4-162.8177.5-169.9175.30108.9H77K75-H77 PolarHBondContact O-N 2.88Å
76V60.8Low79.1Confident131 Ų131109.1 Ų109.179%0.79464%0.641SS**  trans-60.4110174.3-179.60000107.8G74 G78G74-V76 PolarHBondContact O-N 2.97Å; V76-G78 PolarHBondContact O-N 3.06Å
77H56.3Low78.9Confident191 Ų191115.7 Ų115.788%0.88466%0.663SS**SBendtrans-74.2101.9-176.9-150.9-83.5000108.8K75K75-H77 PolarHBondContact O-N 2.88Å
78G68.1Low78.7Confident61 Ų61118.2 Ų118.263%0.62969%0.692SS**  trans140.843.9-177.100000114.2V76V76-G78 PolarHBondContact O-N 3.06Å
79S72.6Confident78.9Confident92 Ų92122.5 Ų122.564%0.64370%0.704SS**  trans-62.4140.2-179.266.80000111.9A81S79-A81 PolarHBondContact O-N 3.09Å; S79-A81 VanDerWaalsContact O-N 3.09Å
80L79.8Confident79.1Confident152 Ų152124.4 Ų124.480%0.79671%0.707SS**G310 helixtrans-73.57.2176.3-65.8175.5000113.4R82 A83L80-R82 PolarHBondContact O-N 3.25Å; L80-A83 VanDerWaalsContact O-CB 3.28Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.26Å
81A80.9Confident79.7Confident90 Ų90122.2 Ų122.274%0.74471%0.714SS**G310 helixtrans-58.4-19.1-175.100000114.3S79S79-A81 PolarHBondContact O-N 3.09Å; S79-A81 VanDerWaalsContact O-N 3.09Å
82R84.2Confident80.8Confident195 Ų195123.7 Ų123.774%0.73672%0.716SS**G310 helixtrans-104.94.3179.3-62.5-170.1-67.7-1231.5114L80 G84 K85L80-R82 PolarHBondContact O-N 3.25Å; R82-G84 PolarHBondContact O-N 3.25Å; R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 2.97Å
83A89.7Confident82.2Confident79 Ų79121.7 Ų121.765%0.65371%0.71SS**THydrogen-bonded Turntrans-59.3124.5179.800000110.5L80 K85L80-A83 VanDerWaalsContact O-CB 3.28Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.26Å; A83-K85 VanDerWaalsContact C-N 3.27Å; A83-K85 PolarHBondContact O-N 2.97Å
84G92.2Very high83.6Confident52 Ų52122.3 Ų122.354%0.53671%0.708SS.*THydrogen-bonded Turntrans76.6-0.4177.300000116.4R82 V86 R87 G88R82-G84 PolarHBondContact O-N 3.25Å; G84-V86 PolarHBondContact O-N 3.23Å; G84-R87 PolarHBondContact O-N 3.13Å; G84-R87 VanDerWaalsContact O-N 3.13Å; G84-G88 PolarHBondContact O-N 3.02Å
85K94.8Very high85Confident121 Ų121129.1 Ų129.153%0.52672%0.719SS.*Hα-helixtrans-51.9-50.2-177.2-177.4175.1179.61770112.7R82 A83 G88 Q89R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 2.97Å; A83-K85 VanDerWaalsContact C-N 3.27Å; A83-K85 PolarHBondContact O-N 2.97Å; K85-G88 PolarHBondContact O-N 3.23Å; K85-Q89 VanDerWaalsContact CE-NE2 3.33Å; K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.4Å
86V94.4Very high86.7Confident106 Ų106127.3 Ų127.364%0.64271%0.714SS**Hα-helixtrans-65.9-43.3-179179.80000111.2G84 G88 Q89 T90G84-V86 PolarHBondContact O-N 3.23Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.29Å; V86-Q89 PolarHBondContact O-N 3.32Å; V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.01Å
87R92.9Very high88.2Confident222 Ų222130.5 Ų130.584%0.83872%0.72SS**Hα-helixtrans-61.7-35.2179.7-178.7179.2172.9-172.6-2.3112.4G84 T90G84-R87 PolarHBondContact O-N 3.13Å; G84-R87 VanDerWaalsContact O-N 3.13Å; R87-T90 PolarHBondContact O-OG1 3.07Å
88G92.8Very high90Very high68 Ų68129.3 Ų129.370%0.70171%0.712SS**Hα-helixtrans-77.9-32.417700000113.8G84 K85 V86G84-G88 PolarHBondContact O-N 3.02Å; K85-G88 PolarHBondContact O-N 3.23Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.29Å
89Q96.4Very high91.2Very high135 Ų135136.2 Ų136.263%0.63173%0.725SS**Hα-helixtrans-78.5-30179.8-74-179.2-16.600113.4K85 V86K85-Q89 VanDerWaalsContact CE-NE2 3.33Å; K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.4Å; V86-Q89 PolarHBondContact O-N 3.32Å
90T95.1Very high92.2Very high79 Ų79141.3 Ų141.349%0.48574%0.735SS.*SBendtrans-67128.2-179.149.50000111.3V86 R87 K92V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.01Å; R87-T90 PolarHBondContact O-OG1 3.07Å; T90-K92 PolarHBondContact O-N 3.28Å
91P95.8Very high92.8Very high113 Ų113142.7 Ų142.773%0.73474%0.735SS**  trans-62.2137.6178.425.8-34.1000110.7V93P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.07Å
92K95.3Very high93.6Very high207 Ų207144.8 Ų144.890%0.973%0.727SS**  trans-81.791.9-178.5-167.566.8174.7-176.20110.7T90 A94T90-K92 PolarHBondContact O-N 3.28Å; K92-A94 PolarHBondContact O-N 2.78Å
93V95.4Very high94.1Very high124 Ų124141 Ų14175%0.75273%0.726SS**PPolyproline II helixtrans-71.7120174.7-175.50000110P91P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.07Å
94A94.6Very high94.5Very high84 Ų84139.9 Ų139.969%0.69472%0.722SS**PPolyproline II helixtrans-66145.9175.300000111.1K92 Q96K92-A94 PolarHBondContact O-N 2.78Å; A94-Q96 PolarHBondContact O-N 2.83Å
95K95Very high94.7Very high209 Ų209148.4 Ų148.491%0.90974%0.738SS**PPolyproline II helixtrans-73.4121.4175.7-69.9-179.7-179.2174.20109
96Q94.2Very high94.8Very high163 Ų163145.1 Ų145.176%0.76273%0.734SS**PPolyproline II helixtrans-69.1141.1169-66.1173.9-3.100110.3A94 K98A94-Q96 PolarHBondContact O-N 2.83Å; Q96-K98 PolarHBondContact O-N 3.48Å
97E91.8Very high94.9Very high197 Ų197145.3 Ų145.392%0.92173%0.726SS**PPolyproline II helixtrans-68125.4172.7-167.1175.5177.400109.8
98K93.4Very high95.1Very high167 Ų167143 Ų14373%0.72672%0.717SS**  trans-120145.5176.6-67.1-174.6-179.7-177.50108.9Q96 K100Q96-K98 PolarHBondContact O-N 3.48Å; K98-K100 PolarHBondContact O-N 3.22Å
99K93.9Very high95.3Very high206 Ų206148.7 Ų148.790%0.89672%0.717SS**PPolyproline II helixtrans-49.6129.7175.5-173.3170.7-174.9166.30110.7K101K99-K101 PolarHBondContact O-N 3.12Å
100K93.4Very high95.3Very high198 Ų198147.1 Ų147.186%0.86171%0.711SS**PPolyproline II helixtrans-55126.8178.2-68.2-178.8-178.5175.40109.8K98K98-K100 PolarHBondContact O-N 3.22Å
101K93.4Very high95.3Very high181 Ų181146 Ų14679%0.78770%0.701SS**PPolyproline II helixtrans-72.1134.4177.8-65.5179.6-178.2175.60108.9K99K99-K101 PolarHBondContact O-N 3.12Å
102K96.3Very high95.3Very high134 Ų134147.1 Ų147.158%0.58369%0.691SS**PPolyproline II helixtrans-58.4147.8170-62.8-170-179.9-175.50109.7A106 K107 M110K102-A106 HydrophobicContact CB-CB 4.39Å; K102-A106 HydrophobicContact CD-CB 4.27Å; K102-K107 WeakPolarHBondContact O-CB 3.14Å; K102-K107 WeakPolarHBondContact O-CD 3.42Å; K102-K107 WeakPolarHBondContact O-CG 3.36Å; K102-M110 HydrophobicContact CD-CE 4.02Å
103T96.1Very high95.3Very high115 Ų115139.9 Ų139.971%0.70666%0.663SS**  trans-120.1175179.755.40000111.2K107T103-K107 PolarHBondContact O-N 2.94Å
104G96.9Very high95.1Very high56 Ų56143.2 Ų143.258%0.57766%0.662SS**Hα-helixtrans59.6-143.2174.800000115A106 K107 R108G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 3.18Å; G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.35Å; G104-K107 VanDerWaalsContact O-N 3.13Å; G104-R108 PolarHBondContact O-N 3.06Å
105R97.3Very high95Very high231 Ų231146 Ų14687%0.87265%0.654SS**Hα-helixtrans-57.2-38.9-178.1-173.1177.5179.2-128.41.9112.6K107 R108 R109R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 2.82Å; R105-R108 PolarHBondContact O-N 3.12Å; R105-R109 PolarHBondContact O-N 3.38Å
106A96.8Very high94.8Very high53 Ų53142.6 Ų142.644%0.43864%0.64SS.*Hα-helixtrans-62.5-39.8178.600000112.3K102 G104 M110K102-A106 HydrophobicContact CB-CB 4.39Å; K102-A106 HydrophobicContact CD-CB 4.27Å; G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 3.18Å; A106-M110 PolarHBondContact O-N 3.28Å
107K97.4Very high94.7Very high110 Ų110139 Ų13948%0.47863%0.628SS.*Hα-helixtrans-65.3-42.5174.4-168.4-176.8178.2-177.90111.8K102 T103 G104 R105 M110 Q111K102-K107 WeakPolarHBondContact O-CB 3.14Å; K102-K107 WeakPolarHBondContact O-CD 3.42Å; K102-K107 WeakPolarHBondContact O-CG 3.36Å; T103-K107 PolarHBondContact O-N 2.94Å; G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.35Å; G104-K107 VanDerWaalsContact O-N 3.13Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 2.82Å; K107-M110 PolarHBondContact O-N 3.47Å; K107-Q111 PolarHBondContact O-N 3.03Å
108R97.1Very high94.5Very high173 Ų173135.4 Ų135.465%0.65362%0.616SS**Hα-helixtrans-64.6-43.5179.5-67.4-62-1721806.8112.1G104 R105 M110 Q111 Y112G104-R108 PolarHBondContact O-N 3.06Å; R105-R108 PolarHBondContact O-N 3.12Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 3.06Å; R108-Q111 PolarHBondContact O-N 3.34Å; R108-Y112 PolarHBondContact O-N 3.43Å
109R96.9Very high94Very high187 Ų187130.2 Ų130.271%0.70660%0.598SS**Hα-helixtrans-58.5-45.5173.9-173.1177.5-179.7-173.70.1111.7R105 Q111 Y112 N113R105-R109 PolarHBondContact O-N 3.38Å; R109-Q111 VanDerWaalsContact C-N 3.33Å; R109-Q111 PolarHBondContact O-N 2.93Å; R109-Y112 PolarHBondContact O-N 3.19Å; R109-N113 PolarHBondContact O-N 2.99Å; R109-N113 PolarHBondContact O-OD1 3.17Å
110M94.9Very high93.4Very high102 Ų102126 Ų12650%0.50259%0.589SS.*Hα-helixtrans-62-39.8177.1-172.7-175.2-69.700112.3K102 A106 K107 R108 R114K102-M110 HydrophobicContact CD-CE 4.02Å; A106-M110 PolarHBondContact O-N 3.28Å; K107-M110 PolarHBondContact O-N 3.47Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 3.06Å; M110-R114 WeakPolarHBondContact O-CB 3.3Å; M110-R114 PolarHBondContact O-N 3.48Å
111Q94.6Very high92.7Very high57 Ų57122.2 Ų122.227%0.26659%0.585SS.*Hα-helixtrans-66.9-41.6177.6-173178.112.900112.2K107 R108 R109 R114 R115K107-Q111 PolarHBondContact O-N 3.03Å; R108-Q111 PolarHBondContact O-N 3.34Å; R109-Q111 VanDerWaalsContact C-N 3.33Å; R109-Q111 PolarHBondContact O-N 2.93Å; Q111-R114 PolarHBondContact O-N 3.44Å; Q111-R115 VanDerWaalsContact NE2-NH2 3.12Å; Q111-R115 WeakPolarHBondContact O-CB 3.48Å; Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.12Å
112Y96.4Very high92Very high135 Ų135118.7 Ų118.753%0.52958%0.579SS.*Hα-helixtrans-61.4-52.4176.2178-94.5000111R108 R109 R114 R115 F116 V117R108-Y112 PolarHBondContact O-N 3.43Å; R109-Y112 PolarHBondContact O-N 3.19Å; Y112-R114 VanDerWaalsContact C-N 3.28Å; Y112-R114 PolarHBondContact O-N 3.19Å; Y112-R115 PolarHBondContact O-N 2.94Å; Y112-F116 AromaticContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CE2 4.08Å; Y112-F116 HydrophobicContact CD2-CG 4.39Å; Y112-F116 HydrophobicContact CE2-CB 4.24Å; Y112-F116 AromaticContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 4.41Å; Y112-F116 HydrophobicContact CE2-CG 4.21Å; Y112-F116 HydrophobicContact CG-CD2 4.19Å; Y112-F116 PolarHBondContact O-N 3.17Å; Y112-V117 HydrophobicContact CD1-CG2 3.96Å; Y112-V117 HydrophobicContact CE1-CG2 3.57Å
113N95.4Very high91.3Very high56 Ų56122.6 Ų122.630%0.29960%0.596SS.*Iπ-helixtrans-57.2-43.8179-70.210.4000111.3R109 R115 V117 N118R109-N113 PolarHBondContact O-N 2.99Å; R109-N113 PolarHBondContact O-OD1 3.17Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; N113-V117 PolarHBondContact O-N 3.3Å; N113-N118 WeakPolarHBondContact O-CB 3.35Å; N113-N118 PolarHBondContact O-N 3.43Å
114R92.4Very high90.7Very high193 Ų193120.5 Ų120.573%0.72860%0.597SS**Iπ-helixtrans-66.9-26.3179.5-166.4174.4-164155.24.6114.1M110 Q111 Y112 V119M110-R114 WeakPolarHBondContact O-CB 3.3Å; M110-R114 PolarHBondContact O-N 3.48Å; Q111-R114 PolarHBondContact O-N 3.44Å; Y112-R114 VanDerWaalsContact C-N 3.28Å; Y112-R114 PolarHBondContact O-N 3.19Å; R114-V119 WeakPolarHBondContact O-CG2 3.4Å
115R91.6Very high90.1Very high142 Ų142127.6 Ų127.654%0.53661%0.612SS.*Iπ-helixtrans-97.2-29.8-174.6-75.7-178.1175.7-167.5-4.1114.2Q111 Y112 N113 V119Q111-R115 VanDerWaalsContact NE2-NH2 3.12Å; Q111-R115 WeakPolarHBondContact O-CB 3.48Å; Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.12Å; Y112-R115 PolarHBondContact O-N 2.94Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; R115-V119 VanDerWaalsContact C-CG2 3.48Å; R115-V119 VanDerWaalsContact O-CG2 3.22Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å
116F90.1Very high89.4Confident138 Ų138124.5 Ų124.561%0.60561%0.605SS**Iπ-helixtrans-125.2-40.9-169.1-59.8-70.8000112.9Y112Y112-F116 AromaticContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CE2 4.08Å; Y112-F116 HydrophobicContact CD2-CG 4.39Å; Y112-F116 HydrophobicContact CE2-CB 4.24Å; Y112-F116 AromaticContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 4.41Å; Y112-F116 HydrophobicContact CE2-CG 4.21Å; Y112-F116 HydrophobicContact CG-CD2 4.19Å; Y112-F116 PolarHBondContact O-N 3.17Å
117V92.4Very high88.9Confident87 Ų87128.8 Ų128.853%0.52761%0.613SS.*Iπ-helixtrans-84.9-48.8-174.9-176.20000111.4Y112 N113 V119Y112-V117 HydrophobicContact CD1-CG2 3.96Å; Y112-V117 HydrophobicContact CE1-CG2 3.57Å; N113-V117 PolarHBondContact O-N 3.3Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.13Å
118N87.6Confident88.4Confident122 Ų122125.7 Ų125.765%0.65261%0.613SS**SBendtrans-88.91.5-173.7-63.49.7000113N113N113-N118 WeakPolarHBondContact O-CB 3.35Å; N113-N118 PolarHBondContact O-N 3.43Å
119V84.3Confident88Confident59 Ų59124 Ų12436%0.35863%0.625SS.*  trans-88.7117.1-179.3176.80000108.6R114 R115 V117R114-V119 WeakPolarHBondContact O-CG2 3.4Å; R115-V119 VanDerWaalsContact C-CG2 3.48Å; R115-V119 VanDerWaalsContact O-CG2 3.22Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.13Å
120V79.8Confident87.8Confident116 Ų116121.9 Ų121.970%0.70363%0.627SS**  trans-88.5127.5168.6-1790000108.5T122V120-T122 PolarHBondContact O-N 3.35Å
121P78.6Confident87.6Confident120 Ų120119.5 Ų119.578%0.77962%0.623SS**  trans-63.9115.4174.2-18.130.6000110.1
122T79.1Confident87.4Confident106 Ų106124.5 Ų124.565%0.6565%0.652SS**  trans-100.3145.8172.456.60000109.5V120V120-T122 PolarHBondContact O-N 3.35Å
123F82.1Confident86.4Confident217 Ų217124.6 Ų124.695%0.95267%0.672SS**SBendtrans-64.3143.1171.9-71.7-88.7000110.9
124G83Confident85.9Confident70 Ų70128 Ų12872%0.72269%0.691SS**SBendtrans95.4-167.4-17900000114.7K126G124-K126 PolarHBondContact O-N 3.34Å
125K84.3Confident85.6Confident205 Ų205124.6 Ų124.689%0.89169%0.689SS**SBendtrans-70.9125.1-173-168.7174.5-177.8175.30110.9K127K125-K127 PolarHBondContact O-N 3.35Å
126K83.1Confident85.2Confident166 Ų166123.6 Ų123.672%0.72270%0.697SS**PPolyproline II helixtrans-58.6121.6178.9-169.4170.6-174.3168.40111.2G124G124-K126 PolarHBondContact O-N 3.34Å
127K85.8Confident84.9Confident143 Ų143122.8 Ų122.862%0.62270%0.703SS**PPolyproline II helixtrans-67.7138.4174.9-77.1-166.6175-167.80111.2K125 S133K125-K127 PolarHBondContact O-N 3.35Å; K127-S133 PolarHBondContact NZ-O 3.37Å; K127-S133 PolarHBondContact NZ-OXT 3.07Å
128G87.4Confident84.5Confident45 Ų45125 Ų12546%0.46471%0.714SS.*PPolyproline II helixtrans-75.2155.617800000112.6N130 A131G128-N130 PolarHBondContact O-N 3.26Å; G128-N130 VanDerWaalsContact O-N 3.12Å; G128-A131 WeakPolarHBondContact O-CB 3.34Å; G128-A131 PolarHBondContact O-N 3.27Å
129P88.2Confident84.3Confident139 Ų139125.2 Ų125.290%0.90372%0.718SS**THydrogen-bonded Turntrans-68.7-8.8-176.727.4-35.5000115.3
130N92.2Very high84.3Confident142 Ų142129.9 Ų129.976%0.75974%0.744SS**THydrogen-bonded Turntrans-128.529.4177.4-160.557000111.1G128G128-N130 PolarHBondContact O-N 3.26Å; G128-N130 VanDerWaalsContact O-N 3.12Å
131A90.8Very high84.6Confident51 Ų51131 Ų13142%0.42175%0.747SS.*  trans-70.9131169.900000108.9G128 S133G128-A131 WeakPolarHBondContact O-CB 3.34Å; G128-A131 PolarHBondContact O-N 3.27Å; A131-S133 VanDerWaalsContact C-N 3.31Å
132N90.3Very high85.1Confident163 Ų163131.9 Ų131.987%0.87274%0.744SS**  trans-89.71.1179.4-65.4-23.6000112.6
133S75.2Confident85.7Confident136 Ų136134.3 Ų134.395%0.95175%0.753SS**  trans-126.10-178.257.30000113.1K127 A131K127-S133 PolarHBondContact NZ-O 3.37Å; K127-S133 PolarHBondContact NZ-OXT 3.07Å; A131-S133 VanDerWaalsContact C-N 3.31Å

Retrieved 133 of 133 residues in 21.4 ms (Link to these results)