A0A077ZG43_TRITR Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A077ZG43, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M33.7Very low49.2Very low245 Ų245110 Ų110100%1.20757%0.572SS**  01110-74.2170.717100107.7A3M1-A3 PolarHBondContact O-N 2.61Å; M1-A3 VanDerWaalsContact O-N 3.16Å
2K27.1Very low51.1Low213 Ų213108.7 Ų108.793%0.92657%0.565SS**  trans-70109174.5-79.1-177.2178.7179.50106.8S4K2-S4 PolarHBondContact O-N 3.27Å
3A31.3Very low52.9Low86 Ų86109.5 Ų109.571%0.71156%0.564SS**  trans-54.7115.4160.300000105.9M1 K5M1-A3 PolarHBondContact O-N 2.61Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-K5 PolarHBondContact O-N 3.34Å
4S34.3Very low54.5Low95 Ų95107.5 Ų107.566%0.66455%0.554SS**  trans-6393.3162.159.20000104.7K2 L6K2-S4 PolarHBondContact O-N 3.27Å; S4-L6 PolarHBondContact O-N 2.89Å
5K40.3Very low55.2Low187 Ų187103.8 Ų103.881%0.81354%0.538SS*.  trans-57.197.1161.3-75.2-176175.5-174.70103.6A3 P7A3-K5 PolarHBondContact O-N 3.34Å; K5-P7 VanDerWaalsContact C-N 3.3Å; K5-P7 WeakPolarHBondContact O-CD 3.42Å; K5-P7 VanDerWaalsContact O-CG 3.28Å; K5-P7 WeakPolarHBondContact O-CG 3.28Å
6L52.7Low55.9Low48 Ų48109 Ų10925%0.25156%0.559SS.*  trans-66.495.7166.5-79.6162.2000103.9S4 V8 I92 I96S4-L6 PolarHBondContact O-N 2.89Å; L6-V8 PolarHBondContact O-N 3.46Å; L6-I92 HydrophobicContact CD1-CG2 4.09Å; L6-I96 HydrophobicContact CD2-CD1 4.09Å
7P56.5Low56.9Low97 Ų97112.7 Ų112.763%0.6357%0.574SS**THydrogen-bonded Turntrans-71-5.8-172-7.327000111.2K5K5-P7 VanDerWaalsContact C-N 3.3Å; K5-P7 WeakPolarHBondContact O-CD 3.42Å; K5-P7 VanDerWaalsContact O-CG 3.28Å; K5-P7 WeakPolarHBondContact O-CG 3.28Å
8V65.1Low58.2Low14 Ų14109.8 Ų109.89%0.08556%0.56CS.*THydrogen-bonded Turntrans-91.2-17.6-165.2-151.70000111.8L6 L26 I27 I96L6-V8 PolarHBondContact O-N 3.46Å; V8-L26 HydrophobicContact CB-CD1 4.34Å; V8-L26 HydrophobicContact CG1-CD1 3.52Å; V8-L26 HydrophobicContact CG1-CG 4.46Å; V8-L26 CarbonylContact O-C 3.48Å; V8-L26 VanDerWaalsContact O-CA 3.28Å; V8-L26 WeakPolarHBondContact O-CA 3.47Å; V8-I27 WeakPolarHBondContact CG1-O 3.31Å; V8-I27 PolarHBondContact O-N 3.17Å; V8-I96 HydrophobicContact CB-CD1 3.8Å; V8-I96 HydrophobicContact CB-CG1 4.32Å; V8-I96 HydrophobicContact CG1-CD1 4.18Å; V8-I96 HydrophobicContact CG1-CG1 4.15Å; V8-I96 HydrophobicContact CG1-CG2 4.46Å; V8-I96 HydrophobicContact CG2-CD1 3.91Å
9F65.1Low59.5Low22 Ų22109.6 Ų109.610%0.09656%0.559CS.*EExtended strand (participates in β ladder)trans-116.8118.7173.3-90.2-77.2000110.5A24 L25 L26 V40 F42 I92 L95 I96F9-A24 HydrophobicContact CD1-CB 3.33Å; F9-A24 HydrophobicContact CE1-CB 3.58Å; F9-A24 HydrophobicContact CG-CB 4.39Å; F9-L25 VanDerWaalsContact CA-O 3.31Å; F9-L25 WeakPolarHBondContact CA-O 3.48Å; F9-L25 WeakPolarHBondContact CD1-O 3.35Å; F9-L26 HydrophobicContact CD1-CB 4.36Å; F9-L26 HydrophobicContact CD2-CD1 3.96Å; F9-L26 HydrophobicContact CE1-CB 3.75Å; F9-L26 HydrophobicContact CE1-CD1 4.45Å; F9-L26 HydrophobicContact CE2-CB 4.28Å; F9-L26 HydrophobicContact CE2-CD1 3.45Å; F9-L26 VanDerWaalsContact CE2-CD1 3.45Å; F9-L26 HydrophobicContact CE2-CG 4.41Å; F9-L26 HydrophobicContact CZ-CB 3.72Å; F9-L26 HydrophobicContact CZ-CD1 3.76Å; F9-L26 HydrophobicContact CZ-CG 4.25Å; F9-V40 HydrophobicContact CE1-CB 4.14Å; F9-V40 HydrophobicContact CE1-CG2 4.22Å; F9-V40 HydrophobicContact CZ-CB 4.29Å; F9-V40 HydrophobicContact CZ-CG2 4.17Å; F9-F42 HydrophobicContact CE1-CE2 4.38Å; F9-F42 HydrophobicContact CZ-CE2 4.35Å; F9-F42 HydrophobicContact CZ-CZ 4.29Å; F9-I92 HydrophobicContact CD2-CG1 4.48Å; F9-I92 HydrophobicContact CD2-CG2 3.45Å; F9-I92 VanDerWaalsContact CD2-CG2 3.45Å; F9-I92 HydrophobicContact CE2-CB 4.45Å; F9-I92 HydrophobicContact CE2-CG1 4.35Å; F9-I92 HydrophobicContact CE2-CG2 3.65Å; F9-L95 HydrophobicContact CE2-CD2 4.42Å; F9-L95 HydrophobicContact CZ-CD2 4.01Å; F9-I96 HydrophobicContact CD2-CD1 4.32Å; F9-I96 HydrophobicContact CE2-CD1 4.46Å; F9-I96 HydrophobicContact CE2-CG1 4.33Å
10R67Low61Low110 Ų110109.1 Ų109.142%0.41555%0.553SS.*EExtended strand (participates in β ladder)trans-119.3171.5169.8-67.2-170.3-173.6-177.92.9109.8I12 L25 I27 E140R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.07Å; R10-L25 PolarHBondContact N-O 3.46Å; R10-L25 WeakPolarHBondContact O-CB 3.22Å; R10-L25 PolarHBondContact O-N 2.81Å; R10-I27 HydrophobicContact CB-CD1 3.83Å; R10-I27 HydrophobicContact CG-CD1 3.69Å; R10-E140 PolarHBondContact NH1-O 3.16Å
11D68.4Low62.5Low93 Ų93105.9 Ų105.950%0.49754%0.536SS..EExtended strand (participates in β ladder)trans52.351172.5-48.4-40.7000112.3E13 L25D11-E13 PolarHBondContact O-N 3.06Å; D11-L25 HydrophobicContact CB-CB 4.4Å
12I71.3Confident65.2Low94 Ų9497.9 Ų97.948%0.48249%0.492SS..EExtended strand (participates in β ladder)trans-70.3100172.4-55.8176.9000107.1R10 I14 R23 A24R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.07Å; I12-I14 HydrophobicContact CG2-CG1 4.17Å; I12-R23 CarbonylContact C-O 3.44Å; I12-R23 VanDerWaalsContact CA-O 3.29Å; I12-R23 WeakPolarHBondContact CA-O 3.31Å; I12-A24 HydrophobicContact CG1-CB 3.98Å
13E75.5Confident68.3Low119 Ų11992.6 Ų92.656%0.55647%0.466SS*.EExtended strand (participates in β ladder)trans-89.6115.5174.1-69178.7-179.100108.7D11 R23D11-E13 PolarHBondContact O-N 3.06Å; E13-R23 HydrophobicContact CB-CB 4.37Å; E13-R23 PolarHBondContact N-O 3.03Å; E13-R23 PolarHBondContact O-N 3.16Å
14I74.2Confident71.1Confident82 Ų8288.9 Ų88.942%0.42144%0.435SS..EExtended strand (participates in β ladder)trans-111.5111.6166.7-53.8176.8000105.4I12 W22I12-I14 HydrophobicContact CG2-CG1 4.17Å; I14-W22 HydrophobicContact CD1-CD2 4.13Å; I14-W22 HydrophobicContact CD1-CG 4.35Å; I14-W22 HydrophobicContact CD1-CZ2 4.26Å; I14-W22 HydrophobicContact CG1-CD2 4.31Å; I14-W22 HydrophobicContact CG1-CG 4.03Å
15T65.5Low73.9Confident52 Ų5285 Ų8532%0.31941%0.407SS..  trans-75.413117650.20000109E17 N18T15-E17 WeakPolarHBondContact CB-OE2 3.39Å; T15-E17 PolarHBondContact O-N 2.69Å; T15-E17 VanDerWaalsContact O-N 3.15Å; T15-N18 CarbonylContact O-C 3.22Å; T15-N18 PolarHBondContact O-N 2.74Å
16E66.1Low76.4Confident187 Ų18776.2 Ų76.287%0.87437%0.369SS*.THydrogen-bonded Turntrans-58.7-27.7178.8-67.8-171.4171.200112N18E16-N18 VanDerWaalsContact C-N 3.27Å; E16-N18 PolarHBondContact O-N 3.32Å
17E73Confident78.3Confident172 Ų17274.6 Ų74.680%0.80436%0.36SS*.THydrogen-bonded Turntrans-69.5-23.5177.5-56.486.4178.200113.3T15T15-E17 WeakPolarHBondContact CB-OE2 3.39Å; T15-E17 PolarHBondContact O-N 2.69Å; T15-E17 VanDerWaalsContact O-N 3.15Å
18N80.3Confident80Confident60 Ų6070.1 Ų70.132%0.32133%0.331SS..  trans-150.383.1-179.1-170.1-0.8000112.2T15 E16 F20 Q21T15-N18 CarbonylContact O-C 3.22Å; T15-N18 PolarHBondContact O-N 2.74Å; E16-N18 VanDerWaalsContact C-N 3.27Å; E16-N18 PolarHBondContact O-N 3.32Å; N18-F20 PolarHBondContact O-N 3.36Å; N18-F20 WeakPolarHBondContact OD1-CB 3.4Å; N18-F20 PolarHBondContact OD1-N 2.85Å; N18-F20 VanDerWaalsContact OD1-N 3.1Å; N18-Q21 HydrophobicContact CB-CB 4.46Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-Q21 PolarHBondContact OD1-N 3.42Å
19I83.5Confident81.2Confident107 Ų10774.1 Ų74.155%0.54935%0.352SS..THydrogen-bonded Turntrans-62.2-12.817565.1168.6000113.8W22I19-W22 PolarHBondContact O-NE1 2.85Å
20F89.3Confident82.4Confident99 Ų9979.3 Ų79.343%0.43437%0.371SS..THydrogen-bonded Turntrans-89.7-3.1177.6-61.9-76.4000113N18 F44N18-F20 PolarHBondContact O-N 3.36Å; N18-F20 WeakPolarHBondContact OD1-CB 3.4Å; N18-F20 PolarHBondContact OD1-N 2.85Å; N18-F20 VanDerWaalsContact OD1-N 3.1Å; F20-F44 HydrophobicContact CB-CB 4.24Å; F20-F44 WeakPolarHBondContact CB-O 3.25Å; F20-F44 HydrophobicContact CD1-CB 4.13Å; F20-F44 WeakPolarHBondContact O-CD2 3.47Å; F20-F44 PolarHBondContact O-N 3.35Å
21Q91.9Very high83.6Confident41 Ų4179.6 Ų79.619%0.19238%0.378CS..EExtended strand (participates in β ladder)trans-120.2113.1174.6-173.6-172-99.200109N18 Q41 F42N18-Q21 HydrophobicContact CB-CB 4.46Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-Q21 PolarHBondContact OD1-N 3.42Å; Q21-Q41 HydrophobicContact CG-CG 3.8Å; Q21-Q41 VanDerWaalsContact OE1-NE2 3.17Å; Q21-F42 CarbonylContact C-O 3.5Å; Q21-F42 WeakPolarHBondContact CA-O 3.39Å
22W91.8Very high85Confident77 Ų7775.5 Ų75.529%0.29236%0.356SS..EExtended strand (participates in β ladder)trans-107.2136.6176.5-57.71000108.8I14 I19 Q41 F42 F44 T88I14-W22 HydrophobicContact CD1-CD2 4.13Å; I14-W22 HydrophobicContact CD1-CG 4.35Å; I14-W22 HydrophobicContact CD1-CZ2 4.26Å; I14-W22 HydrophobicContact CG1-CD2 4.31Å; I14-W22 HydrophobicContact CG1-CG 4.03Å; I19-W22 PolarHBondContact O-NE1 2.85Å; W22-Q41 CarbonylContact O-C 3.56Å; W22-Q41 WeakPolarHBondContact O-CA 3.47Å; W22-F42 HydrophobicContact CB-CB 4.28Å; W22-F42 PolarHBondContact N-O 3.41Å; W22-F42 PolarHBondContact O-N 3.05Å; W22-F44 HydrophobicContact CB-CE2 4.33Å; W22-F44 HydrophobicContact CD2-CD2 4.43Å; W22-F44 AromaticContact CD2-CE2 3.5Å; W22-F44 HydrophobicContact CD2-CE2 3.5Å; W22-F44 HydrophobicContact CD2-CZ 4.07Å; W22-F44 AromaticContact CE2-CE2 3.73Å; W22-F44 AromaticContact CE3-CE2 3.91Å; W22-F44 HydrophobicContact CE3-CE2 3.91Å; W22-F44 HydrophobicContact CE3-CZ 4.02Å; W22-F44 HydrophobicContact CG-CD2 4.38Å; W22-F44 AromaticContact CG-CE2 3.7Å; W22-F44 HydrophobicContact CG-CE2 3.7Å; W22-F44 HydrophobicContact CH2-CZ 4.45Å; W22-F44 HydrophobicContact CZ2-CE2 4.32Å; W22-F44 HydrophobicContact CZ2-CZ 4.47Å; W22-F44 HydrophobicContact CZ3-CE2 4.48Å; W22-F44 HydrophobicContact CZ3-CZ 4.23Å; W22-F44 AromaticContact NE1-CE2 3.97Å; W22-T88 HydrophobicContact CE3-CG2 4.46Å; W22-T88 HydrophobicContact CZ3-CG2 4.07Å
23R91.5Very high86.1Confident103 Ų10371.2 Ų71.239%0.38933%0.334SS..EExtended strand (participates in β ladder)trans-113.1140.2169-69.5178.7179166.21.7108.5I12 E13 V40 Q41 L58I12-R23 CarbonylContact C-O 3.44Å; I12-R23 VanDerWaalsContact CA-O 3.29Å; I12-R23 WeakPolarHBondContact CA-O 3.31Å; E13-R23 HydrophobicContact CB-CB 4.37Å; E13-R23 PolarHBondContact N-O 3.03Å; E13-R23 PolarHBondContact O-N 3.16Å; R23-V40 WeakPolarHBondContact CA-O 3.16Å; R23-Q41 HydrophobicContact CG-CB 4.48Å; R23-Q41 HydrophobicContact CG-CG 4.3Å; R23-Q41 VanDerWaalsContact NE-OE1 3.12Å; R23-L58 HydrophobicContact CG-CD1 4.21Å
24A90.9Very high87Confident7 Ų767.2 Ų67.26%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-146.8150.4-179.900000109.9F9 I12 V40 F42F9-A24 HydrophobicContact CD1-CB 3.33Å; F9-A24 HydrophobicContact CE1-CB 3.58Å; F9-A24 HydrophobicContact CG-CB 4.39Å; I12-A24 HydrophobicContact CG1-CB 3.98Å; A24-V40 PolarHBondContact N-O 2.84Å; A24-V40 PolarHBondContact O-N 3.2Å; A24-F42 HydrophobicContact CB-CE2 4.48Å
25L92.1Very high87.9Confident15 Ų1567.1 Ų67.18%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-98.4109.5179.6-17070.4000110.1F9 R10 D11 I27 A37 K39 E136 P139F9-L25 VanDerWaalsContact CA-O 3.31Å; F9-L25 WeakPolarHBondContact CA-O 3.48Å; F9-L25 WeakPolarHBondContact CD1-O 3.35Å; R10-L25 PolarHBondContact N-O 3.46Å; R10-L25 WeakPolarHBondContact O-CB 3.22Å; R10-L25 PolarHBondContact O-N 2.81Å; D11-L25 HydrophobicContact CB-CB 4.4Å; L25-I27 HydrophobicContact CD2-CD1 4.38Å; L25-I27 HydrophobicContact CD2-CG1 4.33Å; L25-I27 HydrophobicContact CG-CG1 4.26Å; L25-A37 HydrophobicContact CD1-CB 3.76Å; L25-A37 HydrophobicContact CD2-CB 3.88Å; L25-A37 HydrophobicContact CG-CB 3.74Å; L25-K39 HydrophobicContact CD1-CG 3.88Å; L25-E136 HydrophobicContact CD1-CB 4.04Å; L25-E136 HydrophobicContact CD1-CG 4.03Å; L25-P139 HydrophobicContact CD2-CG 3.99Å
26L93.1Very high89.3Confident1 Ų164.6 Ų64.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-77.6127.5172.717970.2000109.9V8 F9 P28 A37 F38 V40 F57 I96 V99V8-L26 HydrophobicContact CB-CD1 4.34Å; V8-L26 HydrophobicContact CG1-CD1 3.52Å; V8-L26 HydrophobicContact CG1-CG 4.46Å; V8-L26 CarbonylContact O-C 3.48Å; V8-L26 VanDerWaalsContact O-CA 3.28Å; V8-L26 WeakPolarHBondContact O-CA 3.47Å; F9-L26 HydrophobicContact CD1-CB 4.36Å; F9-L26 HydrophobicContact CD2-CD1 3.96Å; F9-L26 HydrophobicContact CE1-CB 3.75Å; F9-L26 HydrophobicContact CE1-CD1 4.45Å; F9-L26 HydrophobicContact CE2-CB 4.28Å; F9-L26 HydrophobicContact CE2-CD1 3.45Å; F9-L26 VanDerWaalsContact CE2-CD1 3.45Å; F9-L26 HydrophobicContact CE2-CG 4.41Å; F9-L26 HydrophobicContact CZ-CB 3.72Å; F9-L26 HydrophobicContact CZ-CD1 3.76Å; F9-L26 HydrophobicContact CZ-CG 4.25Å; L26-P28 HydrophobicContact CD2-CG 4.33Å; L26-P28 HydrophobicContact CG-CG 4.19Å; L26-P28 WeakPolarHBondContact O-CD 3.35Å; L26-A37 CarbonylContact O-C 3.56Å; L26-A37 WeakPolarHBondContact O-CA 3.27Å; L26-A37 WeakPolarHBondContact O-CB 3.21Å; L26-F38 HydrophobicContact CB-CB 4.36Å; L26-F38 WeakPolarHBondContact CB-O 3.34Å; L26-F38 PolarHBondContact N-O 3.23Å; L26-F38 PolarHBondContact O-N 3.05Å; L26-V40 HydrophobicContact CB-CG2 4Å; L26-F57 HydrophobicContact CD2-CE1 4.1Å; L26-F57 HydrophobicContact CD2-CZ 4.19Å; L26-I96 HydrophobicContact CD1-CG1 3.74Å; L26-V99 HydrophobicContact CD2-CB 4.48Å; L26-V99 HydrophobicContact CD2-CG1 4.34Å; L26-V99 HydrophobicContact CD2-CG2 3.93Å
27I92.6Very high90.6Very high14 Ų1455.7 Ų55.77%0.07226%0.256CS..  trans-124.380.6-174.9-55.8173.7000108.1V8 R10 L25 A37 R138 P139V8-I27 WeakPolarHBondContact CG1-O 3.31Å; V8-I27 PolarHBondContact O-N 3.17Å; R10-I27 HydrophobicContact CB-CD1 3.83Å; R10-I27 HydrophobicContact CG-CD1 3.69Å; L25-I27 HydrophobicContact CD2-CD1 4.38Å; L25-I27 HydrophobicContact CD2-CG1 4.33Å; L25-I27 HydrophobicContact CG-CG1 4.26Å; I27-A37 HydrophobicContact CG1-CB 4Å; I27-R138 VanDerWaalsContact CG2-NH2 3.26Å; I27-P139 HydrophobicContact CD1-CG 3.48Å; I27-P139 VanDerWaalsContact CD1-CG 3.48Å
28P92Very high91.7Very high3 Ų347.5 Ų47.52%0.01922%0.217CC..  trans-59.7146.6-177.1-23.335.6000111.6L26 N34 F38 V99 R138L26-P28 HydrophobicContact CD2-CG 4.33Å; L26-P28 HydrophobicContact CG-CG 4.19Å; L26-P28 WeakPolarHBondContact O-CD 3.35Å; P28-N34 WeakPolarHBondContact O-CA 3.42Å; P28-F38 HydrophobicContact CG-CD2 3.95Å; P28-F38 HydrophobicContact CG-CE2 3.93Å; P28-V99 HydrophobicContact CG-CG1 4.26Å; P28-R138 VanDerWaalsContact O-CZ 3.3Å; P28-R138 PolarHBondContact O-NH1 2.98Å; P28-R138 PolarHBondContact O-NH2 3.25Å
29D89.6Confident92.4Very high99 Ų9948.7 Ų48.753%0.52922%0.22SC..  trans-98.5-18.3177.760.3-27.6000112.6N34D29-N34 WeakPolarHBondContact O-CB 3.41Å
30R91.3Very high92.9Very high130 Ų13043.6 Ų43.649%0.49119%0.194SC..SBendtrans-102.2147.9-177.1-60.8-176.5-177.1-168.20.1113.7Y33 N34R30-Y33 PolarHBondContact O-N 2.85Å; R30-Y33 VanDerWaalsContact O-N 3.16Å; R30-N34 WeakPolarHBondContact O-CB 3.47Å; R30-N34 PolarHBondContact O-N 3.24Å
31E92.9Very high93.1Very high117 Ų11739.9 Ų39.955%0.54718%0.177SC..THydrogen-bonded Turntrans-63.4145.1167.5-71.7-175.9170.700110.1N34 K35E31-N34 WeakPolarHBondContact CG-ND2 3.12Å; E31-N34 WeakPolarHBondContact CG-OD1 3.05Å; E31-K35 IonicContact OE1-NZ 2.93Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å
32P96Very high93.2Very high7 Ų738.1 Ų38.15%0.04517%0.169CC..THydrogen-bonded Turncis-90.1-3.28.735.1-34.4000114.7F123 L124 A127 E128P32-F123 HydrophobicContact CG-CE1 4.47Å; P32-L124 HydrophobicContact CB-CD2 4.11Å; P32-L124 WeakPolarHBondContact CB-O 3.06Å; P32-L124 HydrophobicContact CG-CD2 3.86Å; P32-A127 HydrophobicContact CB-CB 3.67Å; P32-A127 HydrophobicContact CG-CB 3.4Å; P32-A127 VanDerWaalsContact CG-CB 3.4Å; P32-E128 HydrophobicContact CB-CB 4.24Å
33Y95.9Very high93.3Very high4 Ų436.3 Ų36.32%0.01617%0.165CC..G310 helixtrans-91.8-7.6-168.2-50.6-65000114.5R30 K35 G36 F38 I61 Y62 H63 V99 A127R30-Y33 PolarHBondContact O-N 2.85Å; R30-Y33 VanDerWaalsContact O-N 3.16Å; Y33-K35 PolarHBondContact O-N 3.09Å; Y33-K35 VanDerWaalsContact O-N 3.1Å; Y33-G36 PolarHBondContact O-N 3Å; Y33-F38 HydrophobicContact CD1-CZ 4.08Å; Y33-I61 HydrophobicContact CD1-CD1 4.09Å; Y33-I61 HydrophobicContact CD1-CG1 4.09Å; Y33-I61 HydrophobicContact CE1-CD1 4.07Å; Y33-I61 HydrophobicContact CE1-CG1 3.88Å; Y33-Y62 WeakPolarHBondContact CE1-O 3.45Å; Y33-Y62 PolarHBondContact OH-O 2.98Å; Y33-H63 AromaticContact CE2-CD2 3.84Å; Y33-H63 AromaticContact CZ-CD2 3.61Å; Y33-H63 PolarHBondContact OH-CD2 3.42Å; Y33-V99 HydrophobicContact CD2-CG1 3.78Å; Y33-V99 WeakPolarHBondContact CD2-O 3.45Å; Y33-V99 HydrophobicContact CE2-CG1 4.23Å; Y33-V99 WeakPolarHBondContact CE2-O 3.37Å; Y33-V99 HydrophobicContact CG-CG1 4.33Å; Y33-A127 HydrophobicContact CE1-CB 4.24Å
34N93.6Very high93.5Very high35 Ų3532.3 Ų32.319%0.18715%0.151CC..G310 helixtrans-68.1-5.5-177.167.9-7.8000116.1P28 D29 R30 E31 G36 R138P28-N34 WeakPolarHBondContact O-CA 3.42Å; D29-N34 WeakPolarHBondContact O-CB 3.41Å; R30-N34 WeakPolarHBondContact O-CB 3.47Å; R30-N34 PolarHBondContact O-N 3.24Å; E31-N34 WeakPolarHBondContact CG-ND2 3.12Å; E31-N34 WeakPolarHBondContact CG-OD1 3.05Å; N34-G36 VanDerWaalsContact C-N 3.3Å; N34-R138 WeakPolarHBondContact O-CD 3.36Å; N34-R138 VanDerWaalsContact O-CZ 3.25Å; N34-R138 PolarHBondContact O-NE 3.22Å; N34-R138 PolarHBondContact O-NH1 3.15Å; N34-R138 VanDerWaalsContact O-NH1 3.12Å
35K93.7Very high93.6Very high79 Ų7933.2 Ų33.234%0.34316%0.156SC..G310 helixtrans-85.1-5.2175.5-49.6-52.7176.9-163.10113.2E31 Y33 E128 T131 R132E31-K35 IonicContact OE1-NZ 2.93Å; E31-K35 PolarHBondContact OE1-NZ 2.93Å; Y33-K35 PolarHBondContact O-N 3.09Å; Y33-K35 VanDerWaalsContact O-N 3.1Å; K35-E128 HydrophobicContact CG-CG 3.83Å; K35-T131 HydrophobicContact CB-CG2 4.33Å; K35-R132 HydrophobicContact CB-CG 4.04Å; K35-R132 HydrophobicContact CG-CG 4.49Å
36G93.5Very high93.7Very high0 Ų036.8 Ų36.80%019%0.188CC..SBendtrans-142.5-178.1-173.400000113.7Y33 N34 S135 R138Y33-G36 PolarHBondContact O-N 3Å; N34-G36 VanDerWaalsContact C-N 3.3Å; G36-S135 WeakPolarHBondContact CA-OG 3.29Å; G36-R138 VanDerWaalsContact C-CG 3.48Å; G36-R138 WeakPolarHBondContact O-CG 3.33Å; G36-R138 PolarHBondContact O-NH1 2.81Å
37A94.2Very high93.7Very high0 Ų040.8 Ų40.80%021%0.206CC..BIsolated β-bridgetrans-132.7157168.500000110.8L25 L26 I27 S135 E136 R138L25-A37 HydrophobicContact CD1-CB 3.76Å; L25-A37 HydrophobicContact CD2-CB 3.88Å; L25-A37 HydrophobicContact CG-CB 3.74Å; L26-A37 CarbonylContact O-C 3.56Å; L26-A37 WeakPolarHBondContact O-CA 3.27Å; L26-A37 WeakPolarHBondContact O-CB 3.21Å; I27-A37 HydrophobicContact CG1-CB 4Å; A37-S135 WeakPolarHBondContact O-CB 3.41Å; A37-E136 HydrophobicContact CB-CB 4.29Å; A37-E136 PolarHBondContact N-O 3.35Å; A37-E136 WeakPolarHBondContact O-CB 3.47Å; A37-E136 PolarHBondContact O-N 2.79Å; A37-R138 HydrophobicContact CB-CG 4.34Å
38F95.7Very high93.7Very high0 Ų043.6 Ų43.60%022%0.217CC..EExtended strand (participates in β ladder)trans-131.7120-171.1-57.7-92.1000110.3L26 P28 Y33 V40 F57 T59 I61 T131L26-F38 HydrophobicContact CB-CB 4.36Å; L26-F38 WeakPolarHBondContact CB-O 3.34Å; L26-F38 PolarHBondContact N-O 3.23Å; L26-F38 PolarHBondContact O-N 3.05Å; P28-F38 HydrophobicContact CG-CD2 3.95Å; P28-F38 HydrophobicContact CG-CE2 3.93Å; Y33-F38 HydrophobicContact CD1-CZ 4.08Å; F38-V40 PolarHBondContact O-N 3.31Å; F38-F57 HydrophobicContact CB-CD1 3.92Å; F38-F57 HydrophobicContact CB-CE1 3.83Å; F38-F57 HydrophobicContact CG-CE1 4.31Å; F38-T59 HydrophobicContact CD1-CG2 3.95Å; F38-I61 HydrophobicContact CD1-CB 3.92Å; F38-I61 HydrophobicContact CD1-CD1 4.06Å; F38-I61 HydrophobicContact CD1-CG1 4.05Å; F38-I61 HydrophobicContact CE1-CB 3.77Å; F38-I61 HydrophobicContact CE1-CD1 3.89Å; F38-I61 HydrophobicContact CE1-CG1 3.57Å; F38-I61 HydrophobicContact CE2-CD1 4.49Å; F38-I61 HydrophobicContact CG-CD1 4.43Å; F38-I61 HydrophobicContact CZ-CD1 4.11Å; F38-I61 HydrophobicContact CZ-CG1 4.04Å; F38-T131 HydrophobicContact CE2-CG2 4.39Å; F38-T131 HydrophobicContact CZ-CG2 3.86Å
39K94.9Very high93.8Very high85 Ų8545.6 Ų45.637%0.3723%0.23SC..EExtended strand (participates in β ladder)trans-69.3126.9171.4-71.8166.2-175.6151.40109L25 L58 T59 E136L25-K39 HydrophobicContact CD1-CG 3.88Å; K39-L58 HydrophobicContact CB-CB 3.91Å; K39-L58 HydrophobicContact CB-CD1 4.4Å; K39-L58 PolarHBondContact O-N 2.89Å; K39-T59 WeakPolarHBondContact CB-OG1 3.42Å; K39-T59 PolarHBondContact N-OG1 3.08Å; K39-T59 PolarHBondContact O-N 3.29Å; K39-E136 HydrophobicContact CD-CG 4.14Å; K39-E136 WeakPolarHBondContact CD-OE1 3.25Å; K39-E136 VanDerWaalsContact CE-CD 3.41Å; K39-E136 WeakPolarHBondContact CE-OE1 3.03Å; K39-E136 HydrophobicContact CG-CG 4.07Å; K39-E136 IonicContact NZ-OE1 2.84Å; K39-E136 PolarHBondContact NZ-OE1 2.79Å; K39-E136 IonicContact NZ-OE2 2.85Å; K39-E136 PolarHBondContact NZ-OE2 3.38Å
40V95.2Very high94.1Very high0 Ų048.7 Ų48.70%024%0.239CC..EExtended strand (participates in β ladder)trans-120.7135.5176.9-176.90000108F9 R23 A24 L26 F38 F42 I55 S56 F57 L95F9-V40 HydrophobicContact CE1-CB 4.14Å; F9-V40 HydrophobicContact CE1-CG2 4.22Å; F9-V40 HydrophobicContact CZ-CB 4.29Å; F9-V40 HydrophobicContact CZ-CG2 4.17Å; R23-V40 WeakPolarHBondContact CA-O 3.16Å; A24-V40 PolarHBondContact N-O 2.84Å; A24-V40 PolarHBondContact O-N 3.2Å; L26-V40 HydrophobicContact CB-CG2 4Å; F38-V40 PolarHBondContact O-N 3.31Å; V40-F42 HydrophobicContact CB-CE2 4.25Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE2 3.73Å; V40-F42 HydrophobicContact CG1-CZ 4.12Å; V40-I55 HydrophobicContact CG1-CG2 3.47Å; V40-I55 VanDerWaalsContact CG1-CG2 3.47Å; V40-S56 CarbonylContact C-O 3.3Å; V40-S56 WeakPolarHBondContact CA-O 3.43Å; V40-F57 HydrophobicContact CG2-CD1 3.97Å; V40-F57 HydrophobicContact CG2-CE1 3.8Å; V40-F57 HydrophobicContact CG2-CZ 4.22Å; V40-L95 HydrophobicContact CG1-CD2 3.92Å; V40-L95 HydrophobicContact CG2-CD2 4.34Å
41Q93.8Very high94.2Very high20 Ų2049.3 Ų49.39%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-107.7134.5174.6-172.9169.6-72.700110.1Q21 W22 R23 D43 I55 S56 L58Q21-Q41 HydrophobicContact CG-CG 3.8Å; Q21-Q41 VanDerWaalsContact OE1-NE2 3.17Å; W22-Q41 CarbonylContact O-C 3.56Å; W22-Q41 WeakPolarHBondContact O-CA 3.47Å; R23-Q41 HydrophobicContact CG-CB 4.48Å; R23-Q41 HydrophobicContact CG-CG 4.3Å; R23-Q41 VanDerWaalsContact NE-OE1 3.12Å; Q41-D43 VanDerWaalsContact NE2-CG 3.35Å; Q41-D43 PolarHBondContact NE2-OD1 2.78Å; Q41-D43 PolarHBondContact NE2-OD2 2.89Å; Q41-I55 VanDerWaalsContact O-CA 3.31Å; Q41-I55 WeakPolarHBondContact O-CA 3.28Å; Q41-S56 PolarHBondContact N-O 3.02Å; Q41-S56 PolarHBondContact O-N 2.89Å; Q41-L58 HydrophobicContact CB-CD1 4.09Å; Q41-L58 HydrophobicContact CB-CD2 4.01Å; Q41-L58 HydrophobicContact CB-CG 3.98Å
42F93.6Very high94.3Very high4 Ų445 Ų452%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-112.2118171.1-61.5-104.9000108.2F9 Q21 W22 A24 V40 F44 R54 I55 I91 I92 L95F9-F42 HydrophobicContact CE1-CE2 4.38Å; F9-F42 HydrophobicContact CZ-CE2 4.35Å; F9-F42 HydrophobicContact CZ-CZ 4.29Å; Q21-F42 CarbonylContact C-O 3.5Å; Q21-F42 WeakPolarHBondContact CA-O 3.39Å; W22-F42 HydrophobicContact CB-CB 4.28Å; W22-F42 PolarHBondContact N-O 3.41Å; W22-F42 PolarHBondContact O-N 3.05Å; A24-F42 HydrophobicContact CB-CE2 4.48Å; V40-F42 HydrophobicContact CB-CE2 4.25Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE2 3.73Å; V40-F42 HydrophobicContact CG1-CZ 4.12Å; F42-F44 HydrophobicContact CB-CE2 3.81Å; F42-F44 HydrophobicContact CB-CZ 4.22Å; F42-R54 CarbonylContact C-O 3.41Å; F42-R54 WeakPolarHBondContact CA-O 3.32Å; F42-I55 HydrophobicContact CD1-CD1 4.09Å; F42-I55 HydrophobicContact CD1-CG1 3.8Å; F42-I55 HydrophobicContact CE1-CD1 3.81Å; F42-I55 HydrophobicContact CE1-CG1 3.98Å; F42-I55 HydrophobicContact CE1-CG2 4.31Å; F42-I55 HydrophobicContact CZ-CG2 4.5Å; F42-I91 HydrophobicContact CE1-CG2 4.19Å; F42-I92 HydrophobicContact CE1-CG1 4.16Å; F42-I92 HydrophobicContact CZ-CG1 3.86Å; F42-L95 HydrophobicContact CZ-CD2 4.36Å
43D94.2Very high94.3Very high40 Ų4044.8 Ų44.821%0.21422%0.222CC..EExtended strand (participates in β ladder)trans-107.7105.7177.9-67.6-74.8000109.4Q41 P53 R54Q41-D43 VanDerWaalsContact NE2-CG 3.35Å; Q41-D43 PolarHBondContact NE2-OD1 2.78Å; Q41-D43 PolarHBondContact NE2-OD2 2.89Å; D43-P53 CarbonylContact O-C 3.57Å; D43-P53 VanDerWaalsContact O-CA 3.31Å; D43-P53 WeakPolarHBondContact O-CA 3.47Å; D43-R54 HydrophobicContact CB-CB 4.29Å; D43-R54 PolarHBondContact N-O 3.31Å; D43-R54 PolarHBondContact O-N 3.4Å
44F94Very high94.3Very high18 Ų1853.6 Ų53.68%0.07926%0.255CS..  trans-82.6124.7176.6-62.4-90.2000109.5F20 W22 F42 Y48 P53 T88F20-F44 HydrophobicContact CB-CB 4.24Å; F20-F44 WeakPolarHBondContact CB-O 3.25Å; F20-F44 HydrophobicContact CD1-CB 4.13Å; F20-F44 WeakPolarHBondContact O-CD2 3.47Å; F20-F44 PolarHBondContact O-N 3.35Å; W22-F44 HydrophobicContact CB-CE2 4.33Å; W22-F44 HydrophobicContact CD2-CD2 4.43Å; W22-F44 AromaticContact CD2-CE2 3.5Å; W22-F44 HydrophobicContact CD2-CE2 3.5Å; W22-F44 HydrophobicContact CD2-CZ 4.07Å; W22-F44 AromaticContact CE2-CE2 3.73Å; W22-F44 AromaticContact CE3-CE2 3.91Å; W22-F44 HydrophobicContact CE3-CE2 3.91Å; W22-F44 HydrophobicContact CE3-CZ 4.02Å; W22-F44 HydrophobicContact CG-CD2 4.38Å; W22-F44 AromaticContact CG-CE2 3.7Å; W22-F44 HydrophobicContact CG-CE2 3.7Å; W22-F44 HydrophobicContact CH2-CZ 4.45Å; W22-F44 HydrophobicContact CZ2-CE2 4.32Å; W22-F44 HydrophobicContact CZ2-CZ 4.47Å; W22-F44 HydrophobicContact CZ3-CE2 4.48Å; W22-F44 HydrophobicContact CZ3-CZ 4.23Å; W22-F44 AromaticContact NE1-CE2 3.97Å; F42-F44 HydrophobicContact CB-CE2 3.81Å; F42-F44 HydrophobicContact CB-CZ 4.22Å; F44-Y48 HydrophobicContact CB-CG 4.47Å; F44-Y48 HydrophobicContact CD1-CD1 4.13Å; F44-Y48 AromaticContact CD1-CD2 3.7Å; F44-Y48 HydrophobicContact CD1-CD2 3.7Å; F44-Y48 HydrophobicContact CD1-CE1 4.15Å; F44-Y48 AromaticContact CD1-CE2 3.74Å; F44-Y48 HydrophobicContact CD1-CE2 3.74Å; F44-Y48 AromaticContact CD1-CG 3.91Å; F44-Y48 HydrophobicContact CD1-CG 3.91Å; F44-Y48 AromaticContact CD1-CZ 3.96Å; F44-Y48 HydrophobicContact CE1-CD2 4.4Å; F44-Y48 HydrophobicContact CE1-CE1 4.42Å; F44-Y48 AromaticContact CE1-CE2 3.97Å; F44-Y48 HydrophobicContact CE1-CE2 3.97Å; F44-Y48 AromaticContact CE1-CZ 3.97Å; F44-P53 HydrophobicContact CD1-CB 3.78Å; F44-P53 HydrophobicContact CD1-CG 4.4Å; F44-P53 HydrophobicContact CE1-CB 3.91Å; F44-P53 HydrophobicContact CE1-CG 4.19Å; F44-P53 HydrophobicContact CG-CB 4.3Å; F44-T88 HydrophobicContact CZ-CG2 4.14Å
45P94.2Very high94.4Very high27 Ų2752.4 Ų52.418%0.17525%0.249CC..  trans-68.7158.7174.629.9-35.7000110.8E47 Y48 R51 P52P45-E47 PolarHBondContact O-N 3.1Å; P45-E47 VanDerWaalsContact O-N 3.15Å; P45-Y48 WeakPolarHBondContact O-CB 3.3Å; P45-Y48 PolarHBondContact O-N 2.94Å; P45-R51 HydrophobicContact CB-CB 4.32Å; P45-R51 HydrophobicContact CG-CB 3.62Å; P45-P52 WeakPolarHBondContact CD-O 3.27Å; P45-P52 WeakPolarHBondContact CG-O 3.4Å
46A93Very high94.5Very high90 Ų9049.8 Ų49.874%0.74424%0.24SC*.THydrogen-bonded Turntrans-59.6-26.8175.700000112.3Y48A46-Y48 VanDerWaalsContact C-N 3.29Å; A46-Y48 PolarHBondContact O-N 3.27Å
47E94.2Very high94.7Very high84 Ų8450.1 Ų50.139%0.39324%0.242SC..THydrogen-bonded Turntrans-85.57.6176.4-49.492.6150.500113.6P45 F50 R51P45-E47 PolarHBondContact O-N 3.1Å; P45-E47 VanDerWaalsContact O-N 3.15Å; E47-F50 WeakPolarHBondContact O-CA 3.38Å; E47-F50 VanDerWaalsContact O-CB 3.27Å; E47-F50 WeakPolarHBondContact O-CB 3.43Å; E47-F50 WeakPolarHBondContact O-CD2 3.44Å; E47-F50 PolarHBondContact O-N 2.84Å; E47-R51 HydrophobicContact CB-CB 4.34Å; E47-R51 HydrophobicContact CB-CG 4.18Å; E47-R51 PolarHBondContact O-N 3.19Å; E47-R51 IonicContact OE1-CZ 3.27Å; E47-R51 IonicContact OE1-NH1 2.96Å; E47-R51 PolarHBondContact OE1-NH1 2.77Å; E47-R51 IonicContact OE2-NH1 2.71Å
48Y92Very high94.8Very high73 Ų7354 Ų5429%0.28626%0.262SS..THydrogen-bonded Turntrans-60.7134.8174.3-176-94.4000110.5F44 P45 A46 W82F44-Y48 HydrophobicContact CB-CG 4.47Å; F44-Y48 HydrophobicContact CD1-CD1 4.13Å; F44-Y48 AromaticContact CD1-CD2 3.7Å; F44-Y48 HydrophobicContact CD1-CD2 3.7Å; F44-Y48 HydrophobicContact CD1-CE1 4.15Å; F44-Y48 AromaticContact CD1-CE2 3.74Å; F44-Y48 HydrophobicContact CD1-CE2 3.74Å; F44-Y48 AromaticContact CD1-CG 3.91Å; F44-Y48 HydrophobicContact CD1-CG 3.91Å; F44-Y48 AromaticContact CD1-CZ 3.96Å; F44-Y48 HydrophobicContact CE1-CD2 4.4Å; F44-Y48 HydrophobicContact CE1-CE1 4.42Å; F44-Y48 AromaticContact CE1-CE2 3.97Å; F44-Y48 HydrophobicContact CE1-CE2 3.97Å; F44-Y48 AromaticContact CE1-CZ 3.97Å; P45-Y48 WeakPolarHBondContact O-CB 3.3Å; P45-Y48 PolarHBondContact O-N 2.94Å; A46-Y48 VanDerWaalsContact C-N 3.29Å; A46-Y48 PolarHBondContact O-N 3.27Å; Y48-W82 HydrophobicContact CD2-CZ2 4.25Å; Y48-W82 AromaticContact CE2-CH2 3.89Å; Y48-W82 HydrophobicContact CE2-CH2 3.89Å; Y48-W82 AromaticContact CE2-CZ2 3.74Å; Y48-W82 HydrophobicContact CE2-CZ2 3.74Å
49P94.4Very high94.8Very high45 Ų4554.3 Ų54.329%0.29226%0.264SS..THydrogen-bonded Turncis-93.51110.137.8-36.5000115.2R51 W82 P84P49-R51 VanDerWaalsContact C-N 3.34Å; P49-W82 PolarHBondContact O-NE1 2.89Å; P49-P84 HydrophobicContact CB-CB 4.06Å; P49-P84 HydrophobicContact CG-CB 4.13Å; P49-P84 WeakPolarHBondContact O-CA 3.43Å; P49-P84 WeakPolarHBondContact O-CB 3.37Å; P49-P84 WeakPolarHBondContact O-CG 3.21Å
50F94.9Very high94.9Very high165 Ų16556.1 Ų56.172%0.72427%0.272SS*.THydrogen-bonded Turntrans-74.2-24.2178.6-54.3-72.6000113.2E47 P84E47-F50 WeakPolarHBondContact O-CA 3.38Å; E47-F50 VanDerWaalsContact O-CB 3.27Å; E47-F50 WeakPolarHBondContact O-CB 3.43Å; E47-F50 WeakPolarHBondContact O-CD2 3.44Å; E47-F50 PolarHBondContact O-N 2.84Å; F50-P84 HydrophobicContact CD1-CG 4.38Å
51R94.5Very high95Very high142 Ų14256.4 Ų56.454%0.53627%0.273SS..SBendtrans-114.3145167.3-74.5-173.1173.9164.5-1.8111.4P45 E47 P49P45-R51 HydrophobicContact CB-CB 4.32Å; P45-R51 HydrophobicContact CG-CB 3.62Å; E47-R51 HydrophobicContact CB-CB 4.34Å; E47-R51 HydrophobicContact CB-CG 4.18Å; E47-R51 PolarHBondContact O-N 3.19Å; E47-R51 IonicContact OE1-CZ 3.27Å; E47-R51 IonicContact OE1-NH1 2.96Å; E47-R51 PolarHBondContact OE1-NH1 2.77Å; E47-R51 IonicContact OE2-NH1 2.71Å; P49-R51 VanDerWaalsContact C-N 3.34Å
52P95.7Very high95.2Very high27 Ų2756.8 Ų56.818%0.17527%0.274CS..PPolyproline II helixtrans-67.3152.6178.827.1-33.2000111.6P45 I77 W82P45-P52 WeakPolarHBondContact CD-O 3.27Å; P45-P52 WeakPolarHBondContact CG-O 3.4Å; P52-I77 HydrophobicContact CB-CB 3.99Å; P52-I77 WeakPolarHBondContact CB-O 3.39Å; P52-I77 WeakPolarHBondContact CG-O 3.33Å; P52-W82 HydrophobicContact CB-CB 4.13Å; P52-W82 HydrophobicContact CB-CD2 3.57Å; P52-W82 HydrophobicContact CB-CE3 3.78Å; P52-W82 HydrophobicContact CB-CG 3.72Å; P52-W82 HydrophobicContact CB-CZ3 4.45Å; P52-W82 HydrophobicContact CG-CB 4.23Å; P52-W82 HydrophobicContact CG-CD2 4.46Å; P52-W82 HydrophobicContact CG-CG 4.1Å
53P95.5Very high95.4Very high2 Ų256.6 Ų56.61%0.01327%0.273CS..PPolyproline II helixtrans-68.1156.5167.431.4-33.4000110.8D43 F44 I77 I91D43-P53 CarbonylContact O-C 3.57Å; D43-P53 VanDerWaalsContact O-CA 3.31Å; D43-P53 WeakPolarHBondContact O-CA 3.47Å; F44-P53 HydrophobicContact CD1-CB 3.78Å; F44-P53 HydrophobicContact CD1-CG 4.4Å; F44-P53 HydrophobicContact CE1-CB 3.91Å; F44-P53 HydrophobicContact CE1-CG 4.19Å; F44-P53 HydrophobicContact CG-CB 4.3Å; P53-I77 HydrophobicContact CG-CG2 4.27Å; P53-I91 HydrophobicContact CG-CD1 3.62Å
54R94.9Very high95.5Very high189 Ų18954.7 Ų54.771%0.71326%0.263SS*.EExtended strand (participates in β ladder)trans-95.5145.6165.8-71.2-174.7-73.2-145.5-2109.7F42 D43F42-R54 CarbonylContact C-O 3.41Å; F42-R54 WeakPolarHBondContact CA-O 3.32Å; D43-R54 HydrophobicContact CB-CB 4.29Å; D43-R54 PolarHBondContact N-O 3.31Å; D43-R54 PolarHBondContact O-N 3.4Å
55I95.9Very high95.7Very high10 Ų1054 Ų545%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-125.9137.1179-51.6172.4000108.4V40 Q41 F42 L72 L74 I77 I91 L95V40-I55 HydrophobicContact CG1-CG2 3.47Å; V40-I55 VanDerWaalsContact CG1-CG2 3.47Å; Q41-I55 VanDerWaalsContact O-CA 3.31Å; Q41-I55 WeakPolarHBondContact O-CA 3.28Å; F42-I55 HydrophobicContact CD1-CD1 4.09Å; F42-I55 HydrophobicContact CD1-CG1 3.8Å; F42-I55 HydrophobicContact CE1-CD1 3.81Å; F42-I55 HydrophobicContact CE1-CG1 3.98Å; F42-I55 HydrophobicContact CE1-CG2 4.31Å; F42-I55 HydrophobicContact CZ-CG2 4.5Å; I55-L72 HydrophobicContact CB-CD2 4.18Å; I55-L72 HydrophobicContact CG2-CD2 3.98Å; I55-L74 HydrophobicContact CD1-CD2 3.92Å; I55-I77 HydrophobicContact CB-CD1 4.41Å; I55-I77 HydrophobicContact CD1-CD1 3.71Å; I55-I77 HydrophobicContact CG1-CD1 3.82Å; I55-I91 HydrophobicContact CD1-CG2 3.3Å; I55-I91 HydrophobicContact CG1-CG2 4.47Å; I55-L95 HydrophobicContact CG2-CD2 4.27Å
56S96.4Very high95.9Very high24 Ų2452.8 Ų52.817%0.16825%0.252CS..EExtended strand (participates in β ladder)trans-143.7149.6172.859.60000111.8V40 Q41 G70V40-S56 CarbonylContact C-O 3.3Å; V40-S56 WeakPolarHBondContact CA-O 3.43Å; Q41-S56 PolarHBondContact N-O 3.02Å; Q41-S56 PolarHBondContact O-N 2.89Å; S56-G70 CarbonylContact C-O 3.52Å; S56-G70 VanDerWaalsContact CA-O 3.28Å; S56-G70 WeakPolarHBondContact CA-O 3.38Å
57F97.3Very high96Very high7 Ų750.3 Ų50.33%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-81.8123.3167.9-79.4-95.1000109.6L26 F38 V40 I61 V66 G70 L72 L95 V99L26-F57 HydrophobicContact CD2-CE1 4.1Å; L26-F57 HydrophobicContact CD2-CZ 4.19Å; F38-F57 HydrophobicContact CB-CD1 3.92Å; F38-F57 HydrophobicContact CB-CE1 3.83Å; F38-F57 HydrophobicContact CG-CE1 4.31Å; V40-F57 HydrophobicContact CG2-CD1 3.97Å; V40-F57 HydrophobicContact CG2-CE1 3.8Å; V40-F57 HydrophobicContact CG2-CZ 4.22Å; F57-I61 HydrophobicContact CD1-CG2 4.19Å; F57-I61 HydrophobicContact CE1-CD1 4.08Å; F57-I61 HydrophobicContact CG-CG2 4.18Å; F57-I61 HydrophobicContact CZ-CD1 4.39Å; F57-V66 HydrophobicContact CB-CG1 4.31Å; F57-V66 HydrophobicContact CD2-CG1 3.76Å; F57-V66 HydrophobicContact CD2-CG2 3.92Å; F57-V66 HydrophobicContact CE2-CG1 4.46Å; F57-V66 HydrophobicContact CE2-CG2 3.77Å; F57-V66 HydrophobicContact CG-CG1 4.25Å; F57-G70 PolarHBondContact N-O 3.32Å; F57-G70 WeakPolarHBondContact O-CA 3.5Å; F57-L72 HydrophobicContact CD2-CD2 3.88Å; F57-L72 HydrophobicContact CE2-CD2 3.95Å; F57-L95 HydrophobicContact CE2-CD1 3.94Å; F57-L95 HydrophobicContact CZ-CD1 4.14Å; F57-V99 HydrophobicContact CZ-CG2 3.79Å
58L96.1Very high96Very high82 Ų8254 Ų5443%0.42924%0.244SC..SBendtrans-83.6-31.8169.5-57.4-177.4000110.8R23 K39 Q41R23-L58 HydrophobicContact CG-CD1 4.21Å; K39-L58 HydrophobicContact CB-CB 3.91Å; K39-L58 HydrophobicContact CB-CD1 4.4Å; K39-L58 PolarHBondContact O-N 2.89Å; Q41-L58 HydrophobicContact CB-CD1 4.09Å; Q41-L58 HydrophobicContact CB-CD2 4.01Å; Q41-L58 HydrophobicContact CB-CG 3.98Å
59T96.5Very high96.2Very high6 Ų658.7 Ų58.74%0.03727%0.266CS..SBendtrans-88.7132.4174-55.40000110F38 K39 I61 Y134 E136F38-T59 HydrophobicContact CD1-CG2 3.95Å; K39-T59 WeakPolarHBondContact CB-OG1 3.42Å; K39-T59 PolarHBondContact N-OG1 3.08Å; K39-T59 PolarHBondContact O-N 3.29Å; T59-I61 PolarHBondContact O-N 3.31Å; T59-Y134 WeakPolarHBondContact CG2-O 3.2Å; T59-E136 HydrophobicContact CG2-CG 4.3Å; T59-E136 PolarHBondContact OG1-OE1 3.34Å
60K96.6Very high96.3Very high123 Ų12356.9 Ų56.954%0.53526%0.255SS..  trans-61137178.3-62.9-175.8177.9-175.70111Y130K60-Y130 HydrophobicContact CB-CE1 3.86Å
61I97.4Very high96.4Very high7 Ų754.4 Ų54.44%0.03625%0.246CC..  trans-134.5140.8178.7-168.2173000110.6Y33 F38 F57 T59 H63 V66 V99Y33-I61 HydrophobicContact CD1-CD1 4.09Å; Y33-I61 HydrophobicContact CD1-CG1 4.09Å; Y33-I61 HydrophobicContact CE1-CD1 4.07Å; Y33-I61 HydrophobicContact CE1-CG1 3.88Å; F38-I61 HydrophobicContact CD1-CB 3.92Å; F38-I61 HydrophobicContact CD1-CD1 4.06Å; F38-I61 HydrophobicContact CD1-CG1 4.05Å; F38-I61 HydrophobicContact CE1-CB 3.77Å; F38-I61 HydrophobicContact CE1-CD1 3.89Å; F38-I61 HydrophobicContact CE1-CG1 3.57Å; F38-I61 HydrophobicContact CE2-CD1 4.49Å; F38-I61 HydrophobicContact CG-CD1 4.43Å; F38-I61 HydrophobicContact CZ-CD1 4.11Å; F38-I61 HydrophobicContact CZ-CG1 4.04Å; F57-I61 HydrophobicContact CD1-CG2 4.19Å; F57-I61 HydrophobicContact CE1-CD1 4.08Å; F57-I61 HydrophobicContact CG-CG2 4.18Å; F57-I61 HydrophobicContact CZ-CD1 4.39Å; T59-I61 PolarHBondContact O-N 3.31Å; I61-H63 HydrophobicContact CD1-CB 4.24Å; I61-H63 HydrophobicContact CG1-CB 4.09Å; I61-H63 HydrophobicContact CG2-CB 4.12Å; I61-H63 PolarHBondContact O-N 2.86Å; I61-V66 HydrophobicContact CG2-CB 3.76Å; I61-V66 HydrophobicContact CG2-CG1 3.67Å; I61-V66 HydrophobicContact CG2-CG2 3.96Å; I61-V99 HydrophobicContact CD1-CG1 4.5Å
62Y97.7Very high96.5Very high27 Ų2748.8 Ų48.811%0.10623%0.226CC..  trans-90.183.1173.8-167.5-90.6000109.2Y33 L112 E115 F123 T126 A127 Y130Y33-Y62 WeakPolarHBondContact CE1-O 3.45Å; Y33-Y62 PolarHBondContact OH-O 2.98Å; Y62-L112 HydrophobicContact CD1-CD1 3.91Å; Y62-L112 HydrophobicContact CD1-CD2 4.41Å; Y62-L112 HydrophobicContact CD2-CD1 4.12Å; Y62-L112 HydrophobicContact CD2-CD2 4.42Å; Y62-L112 HydrophobicContact CE1-CD1 3.93Å; Y62-L112 HydrophobicContact CE1-CD2 3.61Å; Y62-L112 HydrophobicContact CE1-CG 4.36Å; Y62-L112 HydrophobicContact CE2-CD1 4.13Å; Y62-L112 HydrophobicContact CE2-CD2 3.61Å; Y62-L112 HydrophobicContact CG-CD1 4.03Å; Y62-L112 WeakPolarHBondContact OH-CD2 3.46Å; Y62-E115 PolarHBondContact OH-OE1 2.77Å; Y62-F123 HydrophobicContact CD1-CD2 4.27Å; Y62-F123 AromaticContact CD1-CE2 3.81Å; Y62-F123 HydrophobicContact CD1-CE2 3.81Å; Y62-F123 HydrophobicContact CD1-CZ 4.29Å; Y62-F123 AromaticContact CE1-CD2 3.77Å; Y62-F123 HydrophobicContact CE1-CD2 3.77Å; Y62-F123 AromaticContact CE1-CE2 3.72Å; Y62-F123 HydrophobicContact CE1-CE2 3.72Å; Y62-T126 HydrophobicContact CD2-CG2 4.37Å; Y62-T126 HydrophobicContact CE1-CG2 4.02Å; Y62-T126 HydrophobicContact CE2-CG2 3.8Å; Y62-A127 HydrophobicContact CD1-CB 3.85Å; Y62-Y130 AromaticContact CD2-CD2 3.98Å; Y62-Y130 HydrophobicContact CD2-CD2 3.98Å; Y62-Y130 HydrophobicContact CD2-CE2 4.44Å; Y62-Y130 HydrophobicContact CD2-CG 4.28Å; Y62-Y130 HydrophobicContact CG-CG 4.42Å
63H97.6Very high96.2Very high0 Ų050 Ų500%024%0.235CC..  trans-137.3136.3-173.3-164.1-80000111.3Y33 I61 N65 V66 L98Y33-H63 AromaticContact CE2-CD2 3.84Å; Y33-H63 AromaticContact CZ-CD2 3.61Å; Y33-H63 PolarHBondContact OH-CD2 3.42Å; I61-H63 HydrophobicContact CD1-CB 4.24Å; I61-H63 HydrophobicContact CG1-CB 4.09Å; I61-H63 HydrophobicContact CG2-CB 4.12Å; I61-H63 PolarHBondContact O-N 2.86Å; H63-N65 VanDerWaalsContact C-N 3.31Å; H63-N65 PolarHBondContact CE1-OD1 2.73Å; H63-N65 VanDerWaalsContact CE1-OD1 3.26Å; H63-N65 PolarHBondContact ND1-N 2.86Å; H63-N65 PolarHBondContact O-N 2.99Å; H63-V66 HydrophobicContact CB-CB 4.11Å; H63-V66 HydrophobicContact CB-CG2 3.93Å; H63-V66 PolarHBondContact O-N 2.82Å; H63-L98 PolarHBondContact CE1-O 3.44Å; H63-L98 VanDerWaalsContact CE1-O 3.29Å; H63-L98 PolarHBondContact NE2-O 3.41Å
64P97.4Very high96.1Very high0 Ų050 Ų500%024%0.235CC..THydrogen-bonded Turntrans-61.2-35.8-179.7-23.232.4000114.1P102 S107 L108 R109 L112 A113 F123P64-P102 HydrophobicContact CG-CB 3.96Å; P64-S107 CarbonylContact O-C 3.55Å; P64-S107 WeakPolarHBondContact O-CA 3.07Å; P64-S107 WeakPolarHBondContact O-CB 3.44Å; P64-L108 PolarHBondContact O-N 3.45Å; P64-R109 PolarHBondContact O-N 3.5Å; P64-L112 HydrophobicContact CB-CB 4.23Å; P64-L112 HydrophobicContact CG-CB 4.06Å; P64-A113 HydrophobicContact CB-CB 4.18Å; P64-F123 HydrophobicContact CG-CE2 3.99Å; P64-F123 HydrophobicContact CG-CZ 4.19Å
65N97.5Very high96Very high3 Ų343.2 Ų43.22%0.01622%0.215CC..THydrogen-bonded Turntrans-89.65-178.5-52.693.9000114.8H63 L72 L98 P102 E103 H106H63-N65 VanDerWaalsContact C-N 3.31Å; H63-N65 PolarHBondContact CE1-OD1 2.73Å; H63-N65 VanDerWaalsContact CE1-OD1 3.26Å; H63-N65 PolarHBondContact ND1-N 2.86Å; H63-N65 PolarHBondContact O-N 2.99Å; N65-L72 WeakPolarHBondContact O-CB 3.41Å; N65-L98 HydrophobicContact CB-CD1 4.03Å; N65-L98 HydrophobicContact CB-CD2 4.06Å; N65-L98 HydrophobicContact CB-CG 4.2Å; N65-P102 WeakPolarHBondContact OD1-CA 3.47Å; N65-E103 PolarHBondContact ND2-O 2.77Å; N65-E103 PolarHBondContact OD1-N 3.45Å; N65-H106 PolarHBondContact ND2-O 2.72Å
66V97.5Very high96Very high2 Ų244.6 Ų44.61%0.01222%0.222CC..BIsolated β-bridgetrans-123.2126.1177.5-1720000108.8F57 I61 H63 Q71 L72 R109F57-V66 HydrophobicContact CB-CG1 4.31Å; F57-V66 HydrophobicContact CD2-CG1 3.76Å; F57-V66 HydrophobicContact CD2-CG2 3.92Å; F57-V66 HydrophobicContact CE2-CG1 4.46Å; F57-V66 HydrophobicContact CE2-CG2 3.77Å; F57-V66 HydrophobicContact CG-CG1 4.25Å; I61-V66 HydrophobicContact CG2-CB 3.76Å; I61-V66 HydrophobicContact CG2-CG1 3.67Å; I61-V66 HydrophobicContact CG2-CG2 3.96Å; H63-V66 HydrophobicContact CB-CB 4.11Å; H63-V66 HydrophobicContact CB-CG2 3.93Å; H63-V66 PolarHBondContact O-N 2.82Å; V66-Q71 CarbonylContact C-O 3.55Å; V66-Q71 WeakPolarHBondContact CA-O 3.14Å; V66-L72 HydrophobicContact CG2-CB 4.24Å; V66-R109 WeakPolarHBondContact O-CD 3.45Å
67D96.3Very high95.9Very high39 Ų3944.4 Ų44.421%0.20922%0.219CC..  trans-76174.3178.282.22.1000112.5K69 G70 Q71 L108D67-K69 PolarHBondContact O-N 3.05Å; D67-K69 VanDerWaalsContact OD1-C 3.24Å; D67-K69 VanDerWaalsContact OD1-CA 3.27Å; D67-K69 WeakPolarHBondContact OD1-CA 3.26Å; D67-K69 WeakPolarHBondContact OD1-CB 3.17Å; D67-K69 PolarHBondContact OD1-N 3.13Å; D67-G70 PolarHBondContact O-N 3.26Å; D67-G70 PolarHBondContact OD1-N 2.91Å; D67-Q71 PolarHBondContact N-O 3.48Å; D67-Q71 PolarHBondContact OD1-N 3.29Å; D67-L108 HydrophobicContact CB-CB 4.33Å; D67-L108 HydrophobicContact CB-CD1 4.23Å
68E94.7Very high95.7Very high160 Ų16046.1 Ų46.175%0.74823%0.229SC*.THydrogen-bonded Turntrans-66.4-16.9-179.8-60.9-167.8152.300114.3G70E68-G70 VanDerWaalsContact C-N 3.35Å
69K95.6Very high95.5Very high173 Ų17347.2 Ų47.275%0.75224%0.24SC*.THydrogen-bonded Turntrans-92.51.1175.6-62.2177.5-178.21750111.9D67 Q71D67-K69 PolarHBondContact O-N 3.05Å; D67-K69 VanDerWaalsContact OD1-C 3.24Å; D67-K69 VanDerWaalsContact OD1-CA 3.27Å; D67-K69 WeakPolarHBondContact OD1-CA 3.26Å; D67-K69 WeakPolarHBondContact OD1-CB 3.17Å; D67-K69 PolarHBondContact OD1-N 3.13Å; K69-Q71 HydrophobicContact CB-CG 4.37Å
70G96.5Very high95.4Very high7 Ų753.6 Ų53.67%0.07227%0.27CS..SBendtrans82.38-178.900000114.7S56 F57 D67 E68S56-G70 CarbonylContact C-O 3.52Å; S56-G70 VanDerWaalsContact CA-O 3.28Å; S56-G70 WeakPolarHBondContact CA-O 3.38Å; F57-G70 PolarHBondContact N-O 3.32Å; F57-G70 WeakPolarHBondContact O-CA 3.5Å; D67-G70 PolarHBondContact O-N 3.26Å; D67-G70 PolarHBondContact OD1-N 2.91Å; E68-G70 VanDerWaalsContact C-N 3.35Å
71Q96.7Very high95.3Very high113 Ų11351.4 Ų51.453%0.52826%0.264SS..BIsolated β-bridgetrans-75.8145.9176.5-52.7-170.3-6.500110.3V66 D67 K69 L108V66-Q71 CarbonylContact C-O 3.55Å; V66-Q71 WeakPolarHBondContact CA-O 3.14Å; D67-Q71 PolarHBondContact N-O 3.48Å; D67-Q71 PolarHBondContact OD1-N 3.29Å; K69-Q71 HydrophobicContact CB-CG 4.37Å; Q71-L108 WeakPolarHBondContact O-CD1 3.48Å
72L95.8Very high95.3Very high23 Ų2352.3 Ų52.312%0.1227%0.267CS..BIsolated β-bridgetrans-137.9159.2174.468.7138.7000111.3I55 F57 N65 V66 L74 L95 L98I55-L72 HydrophobicContact CB-CD2 4.18Å; I55-L72 HydrophobicContact CG2-CD2 3.98Å; F57-L72 HydrophobicContact CD2-CD2 3.88Å; F57-L72 HydrophobicContact CE2-CD2 3.95Å; N65-L72 WeakPolarHBondContact O-CB 3.41Å; V66-L72 HydrophobicContact CG2-CB 4.24Å; L72-L74 HydrophobicContact CD1-CB 3.85Å; L72-L74 HydrophobicContact CD1-CD1 4.42Å; L72-L95 HydrophobicContact CD1-CD1 3.58Å; L72-L95 HydrophobicContact CD2-CD1 4.4Å; L72-L98 HydrophobicContact CD1-CD2 3.87Å
73C90.9Very high95.2Very high53 Ų5357.7 Ų57.736%0.35829%0.291SS..  trans-106.6103.8170.8-1740000108.4
74L93.8Very high95Very high1 Ų161 Ų611%0.00531%0.312CS..  trans-104.3115.9177.8-170.572.2000109.5I55 L72 I76 I77 L78 I91 S94 L95 L98I55-L74 HydrophobicContact CD1-CD2 3.92Å; L72-L74 HydrophobicContact CD1-CB 3.85Å; L72-L74 HydrophobicContact CD1-CD1 4.42Å; L74-I76 HydrophobicContact CD2-CG2 3.78Å; L74-I76 HydrophobicContact CG-CG2 3.96Å; L74-I76 PolarHBondContact O-N 2.92Å; L74-I77 HydrophobicContact CB-CD1 4.1Å; L74-I77 HydrophobicContact CB-CG1 3.87Å; L74-I77 WeakPolarHBondContact O-CG1 3.44Å; L74-I77 PolarHBondContact O-N 2.82Å; L74-L78 PolarHBondContact O-N 2.98Å; L74-I91 HydrophobicContact CD2-CG2 4.06Å; L74-S94 WeakPolarHBondContact CD1-OG 3.36Å; L74-L95 HydrophobicContact CD2-CB 4.27Å; L74-L98 HydrophobicContact CD1-CB 4.16Å; L74-L98 HydrophobicContact CD1-CD2 3.84Å
75P92.6Very high95Very high47 Ų4765.2 Ų65.231%0.30535%0.347SS..G310 helixtrans-54.2-33.9-169.6-31.135.8000115.3I77 L78 N81P75-I77 VanDerWaalsContact C-N 3.28Å; P75-I77 PolarHBondContact O-N 2.78Å; P75-L78 WeakPolarHBondContact O-CB 3.4Å; P75-L78 PolarHBondContact O-N 3.39Å; P75-N81 VanDerWaalsContact O-CB 3.26Å; P75-N81 WeakPolarHBondContact O-CB 3.38Å; P75-N81 PolarHBondContact O-ND2 3.47Å
76I94.5Very high94.8Very high40 Ų4066.2 Ų66.221%0.20535%0.353CS..G310 helixtrans-68.6-23-177.2-162.2172.7000113.9L74 I86 H90 I91L74-I76 HydrophobicContact CD2-CG2 3.78Å; L74-I76 HydrophobicContact CG-CG2 3.96Å; L74-I76 PolarHBondContact O-N 2.92Å; I76-I86 HydrophobicContact CD1-CG2 3.78Å; I76-I86 HydrophobicContact CG1-CD1 3.86Å; I76-I86 HydrophobicContact CG1-CG2 3.98Å; I76-H90 HydrophobicContact CD1-CB 4.04Å; I76-I91 HydrophobicContact CG2-CG1 4.43Å
77I94.5Very high94.6Very high19 Ų1972 Ų7210%0.09738%0.377CS..G310 helixtrans-1077.3178.860.7166.9000112.6P52 P53 I55 L74 P75 W82 I91P52-I77 HydrophobicContact CB-CB 3.99Å; P52-I77 WeakPolarHBondContact CB-O 3.39Å; P52-I77 WeakPolarHBondContact CG-O 3.33Å; P53-I77 HydrophobicContact CG-CG2 4.27Å; I55-I77 HydrophobicContact CB-CD1 4.41Å; I55-I77 HydrophobicContact CD1-CD1 3.71Å; I55-I77 HydrophobicContact CG1-CD1 3.82Å; L74-I77 HydrophobicContact CB-CD1 4.1Å; L74-I77 HydrophobicContact CB-CG1 3.87Å; L74-I77 WeakPolarHBondContact O-CG1 3.44Å; L74-I77 PolarHBondContact O-N 2.82Å; P75-I77 VanDerWaalsContact C-N 3.28Å; P75-I77 PolarHBondContact O-N 2.78Å; I77-W82 HydrophobicContact CG2-CE3 4.43Å; I77-W82 HydrophobicContact CG2-CZ3 4.29Å; I77-I91 HydrophobicContact CG2-CD1 3.82Å; I77-I91 HydrophobicContact CG2-CG1 3.99Å; I77-I91 HydrophobicContact CG2-CG2 3.91Å
78L93.6Very high94.3Very high44 Ų4471.1 Ų71.123%0.2337%0.374CS..SBendtrans-67139.1172.4-73.7179000110.4L74 P75 Q80 N81 W82L74-L78 PolarHBondContact O-N 2.98Å; P75-L78 WeakPolarHBondContact O-CB 3.4Å; P75-L78 PolarHBondContact O-N 3.39Å; L78-Q80 PolarHBondContact O-N 3.11Å; L78-N81 HydrophobicContact CB-CB 4.49Å; L78-N81 PolarHBondContact O-N 3.14Å; L78-W82 PolarHBondContact O-N 3.18Å
79P92.4Very high94Very high104 Ų10467.9 Ų67.968%0.67536%0.359SS*.THydrogen-bonded Turntrans-51.7-36.1-175.3-29.935.8000114.8
80Q93.7Very high93.9Very high140 Ų14064.4 Ų64.465%0.65435%0.345SS*.THydrogen-bonded Turntrans-74-22.7178.968.1-85.825.800114.3L78L78-Q80 PolarHBondContact O-N 3.11Å
81N95.3Very high93.8Very high78 Ų7864.1 Ų64.142%0.41734%0.341SS..THydrogen-bonded Turntrans-104.2-16.6-177.6-66.4-21.7000112.4P75 L78 K83P75-N81 VanDerWaalsContact O-CB 3.26Å; P75-N81 WeakPolarHBondContact O-CB 3.38Å; P75-N81 PolarHBondContact O-ND2 3.47Å; L78-N81 HydrophobicContact CB-CB 4.49Å; L78-N81 PolarHBondContact O-N 3.14Å; N81-K83 PolarHBondContact O-N 2.58Å
82W96.2Very high93.5Very high25 Ų2559.8 Ų59.810%0.09532%0.322CS..  trans-63.3134.4-175.8179.5-112.2000111.7Y48 P49 P52 I77 L78 I86 I91Y48-W82 HydrophobicContact CD2-CZ2 4.25Å; Y48-W82 AromaticContact CE2-CH2 3.89Å; Y48-W82 HydrophobicContact CE2-CH2 3.89Å; Y48-W82 AromaticContact CE2-CZ2 3.74Å; Y48-W82 HydrophobicContact CE2-CZ2 3.74Å; P49-W82 PolarHBondContact O-NE1 2.89Å; P52-W82 HydrophobicContact CB-CB 4.13Å; P52-W82 HydrophobicContact CB-CD2 3.57Å; P52-W82 HydrophobicContact CB-CE3 3.78Å; P52-W82 HydrophobicContact CB-CG 3.72Å; P52-W82 HydrophobicContact CB-CZ3 4.45Å; P52-W82 HydrophobicContact CG-CB 4.23Å; P52-W82 HydrophobicContact CG-CD2 4.46Å; P52-W82 HydrophobicContact CG-CG 4.1Å; I77-W82 HydrophobicContact CG2-CE3 4.43Å; I77-W82 HydrophobicContact CG2-CZ3 4.29Å; L78-W82 PolarHBondContact O-N 3.18Å; W82-I86 HydrophobicContact CE3-CB 4.26Å; W82-I86 HydrophobicContact CE3-CD1 4.09Å; W82-I86 HydrophobicContact CH2-CB 4.08Å; W82-I86 HydrophobicContact CH2-CG2 4.37Å; W82-I86 WeakPolarHBondContact CH2-O 3.38Å; W82-I86 HydrophobicContact CZ3-CB 3.69Å; W82-I86 HydrophobicContact CZ3-CD1 4.35Å; W82-I86 HydrophobicContact CZ3-CG2 3.76Å; W82-I91 HydrophobicContact CH2-CD1 4.13Å; W82-I91 HydrophobicContact CZ3-CD1 3.86Å
83K95.9Very high93.3Very high140 Ų14062.3 Ų62.361%0.60933%0.333SS*.  trans-130.4133.2171-60.8179.1-176.5177.30107.6N81 A85 I86N81-K83 PolarHBondContact O-N 2.58Å; K83-A85 PolarHBondContact O-N 3.21Å; K83-I86 HydrophobicContact CB-CD1 4.07Å; K83-I86 HydrophobicContact CB-CG1 4.13Å; K83-I86 WeakPolarHBondContact O-CB 3.36Å; K83-I86 WeakPolarHBondContact O-CG1 3.21Å; K83-I86 PolarHBondContact O-N 2.88Å
84P94.8Very high93.4Very high69 Ų6961.4 Ų61.445%0.44833%0.327SS..THydrogen-bonded Turntrans-56.1-18.2178.5-27.834.9000115.1P49 F50 I86P49-P84 HydrophobicContact CB-CB 4.06Å; P49-P84 HydrophobicContact CG-CB 4.13Å; P49-P84 WeakPolarHBondContact O-CA 3.43Å; P49-P84 WeakPolarHBondContact O-CB 3.37Å; P49-P84 WeakPolarHBondContact O-CG 3.21Å; F50-P84 HydrophobicContact CD1-CG 4.38Å; P84-I86 VanDerWaalsContact C-N 3.34Å
85A95.6Very high93.5Very high89 Ų8961.3 Ų61.374%0.73633%0.327SS*.THydrogen-bonded Turntrans-79.7-10.2175.800000114.2K83 K87K83-A85 PolarHBondContact O-N 3.21Å; A85-K87 PolarHBondContact O-N 3.06Å
86I94.3Very high93.4Very high25 Ų2559.4 Ų59.413%0.12831%0.314CS..  trans-72.3118.3177.2-65.2168.5000108.3I76 W82 K83 P84 H90 I91I76-I86 HydrophobicContact CD1-CG2 3.78Å; I76-I86 HydrophobicContact CG1-CD1 3.86Å; I76-I86 HydrophobicContact CG1-CG2 3.98Å; W82-I86 HydrophobicContact CE3-CB 4.26Å; W82-I86 HydrophobicContact CE3-CD1 4.09Å; W82-I86 HydrophobicContact CH2-CB 4.08Å; W82-I86 HydrophobicContact CH2-CG2 4.37Å; W82-I86 WeakPolarHBondContact CH2-O 3.38Å; W82-I86 HydrophobicContact CZ3-CB 3.69Å; W82-I86 HydrophobicContact CZ3-CD1 4.35Å; W82-I86 HydrophobicContact CZ3-CG2 3.76Å; K83-I86 HydrophobicContact CB-CD1 4.07Å; K83-I86 HydrophobicContact CB-CG1 4.13Å; K83-I86 WeakPolarHBondContact O-CB 3.36Å; K83-I86 WeakPolarHBondContact O-CG1 3.21Å; K83-I86 PolarHBondContact O-N 2.88Å; P84-I86 VanDerWaalsContact C-N 3.34Å; I86-H90 HydrophobicContact CG2-CB 4.34Å; I86-I91 HydrophobicContact CG2-CD1 4.44Å; I86-I91 HydrophobicContact CG2-CG1 3.91Å
87K92.2Very high93.4Very high122 Ų12261.6 Ų61.653%0.5333%0.326SS..  trans-83.7153.2178.2-65.7173.9176.9-177.60111.4A85 E89 H90 I91A85-K87 PolarHBondContact O-N 3.06Å; K87-E89 HydrophobicContact CB-CG 3.86Å; K87-E89 HydrophobicContact CD-CG 4.34Å; K87-E89 WeakPolarHBondContact CD-OE1 3.31Å; K87-E89 IonicContact NZ-OE1 3.42Å; K87-E89 PolarHBondContact NZ-OE1 3.36Å; K87-E89 PolarHBondContact O-N 2.9Å; K87-E89 VanDerWaalsContact O-N 3.13Å; K87-H90 WeakPolarHBondContact O-CB 3.4Å; K87-H90 PolarHBondContact O-N 3.32Å; K87-I91 PolarHBondContact O-N 3.5Å
88T90.3Very high93.4Very high22 Ų2261.1 Ų61.114%0.13532%0.323CS..Hα-helixtrans-54.3-32.3175.2-440000112.8W22 F44 H90 I91 I92W22-T88 HydrophobicContact CE3-CG2 4.46Å; W22-T88 HydrophobicContact CZ3-CG2 4.07Å; F44-T88 HydrophobicContact CZ-CG2 4.14Å; T88-H90 VanDerWaalsContact C-N 3.32Å; T88-H90 PolarHBondContact O-N 2.93Å; T88-I91 WeakPolarHBondContact O-CB 3.4Å; T88-I91 PolarHBondContact O-N 3.03Å; T88-I92 HydrophobicContact CG2-CD1 4.08Å; T88-I92 HydrophobicContact CG2-CG1 4.45Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 3.23Å
89E89.9Confident93.4Very high92 Ų9259.1 Ų59.143%0.4331%0.313SS..Hα-helixtrans-59.1-39.8175.570.8-168.1170.300113K87 Q93K87-E89 HydrophobicContact CB-CG 3.86Å; K87-E89 HydrophobicContact CD-CG 4.34Å; K87-E89 WeakPolarHBondContact CD-OE1 3.31Å; K87-E89 IonicContact NZ-OE1 3.42Å; K87-E89 PolarHBondContact NZ-OE1 3.36Å; K87-E89 PolarHBondContact O-N 2.9Å; K87-E89 VanDerWaalsContact O-N 3.13Å; E89-Q93 PolarHBondContact O-N 3.41Å
90H92.6Very high93.3Very high100 Ų10055.9 Ų55.946%0.46329%0.29SS..Hα-helixtrans-72-35.9177.3-64.6156.4000111.6I76 I86 K87 T88 Q93 S94I76-H90 HydrophobicContact CD1-CB 4.04Å; I86-H90 HydrophobicContact CG2-CB 4.34Å; K87-H90 WeakPolarHBondContact O-CB 3.4Å; K87-H90 PolarHBondContact O-N 3.32Å; T88-H90 VanDerWaalsContact C-N 3.32Å; T88-H90 PolarHBondContact O-N 2.93Å; H90-Q93 PolarHBondContact O-N 3.05Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.16Å
91I93.6Very high93.2Very high0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-62.3-48.3175.2-58.4177.3000109.7F42 P53 I55 L74 I76 I77 W82 I86 K87 T88 Q93 S94 L95F42-I91 HydrophobicContact CE1-CG2 4.19Å; P53-I91 HydrophobicContact CG-CD1 3.62Å; I55-I91 HydrophobicContact CD1-CG2 3.3Å; I55-I91 HydrophobicContact CG1-CG2 4.47Å; L74-I91 HydrophobicContact CD2-CG2 4.06Å; I76-I91 HydrophobicContact CG2-CG1 4.43Å; I77-I91 HydrophobicContact CG2-CD1 3.82Å; I77-I91 HydrophobicContact CG2-CG1 3.99Å; I77-I91 HydrophobicContact CG2-CG2 3.91Å; W82-I91 HydrophobicContact CH2-CD1 4.13Å; W82-I91 HydrophobicContact CZ3-CD1 3.86Å; I86-I91 HydrophobicContact CG2-CD1 4.44Å; I86-I91 HydrophobicContact CG2-CG1 3.91Å; K87-I91 PolarHBondContact O-N 3.5Å; T88-I91 WeakPolarHBondContact O-CB 3.4Å; T88-I91 PolarHBondContact O-N 3.03Å; I91-Q93 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-N 2.71Å; I91-L95 PolarHBondContact O-N 3.39Å
92I91.3Very high93.1Very high23 Ų2352.6 Ų52.612%0.11827%0.274CS..Hα-helixtrans-58.2-47.4176.5-74.9166.2000110.7L6 F9 F42 T88 S94 L95 I96L6-I92 HydrophobicContact CD1-CG2 4.09Å; F9-I92 HydrophobicContact CD2-CG1 4.48Å; F9-I92 HydrophobicContact CD2-CG2 3.45Å; F9-I92 VanDerWaalsContact CD2-CG2 3.45Å; F9-I92 HydrophobicContact CE2-CB 4.45Å; F9-I92 HydrophobicContact CE2-CG1 4.35Å; F9-I92 HydrophobicContact CE2-CG2 3.65Å; F42-I92 HydrophobicContact CE1-CG1 4.16Å; F42-I92 HydrophobicContact CZ-CG1 3.86Å; T88-I92 HydrophobicContact CG2-CD1 4.08Å; T88-I92 HydrophobicContact CG2-CG1 4.45Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 3.23Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 2.96Å; I92-L95 PolarHBondContact O-N 3.39Å; I92-I96 HydrophobicContact CG2-CD1 3.76Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.39Å; I92-I96 PolarHBondContact O-N 3.33Å
93Q91.3Very high93Very high76 Ų7655 Ų5536%0.35529%0.286SS..Hα-helixtrans-61.8-41.4178.5-173.260.764.100111.9E89 H90 I91 L95 I96 N97E89-Q93 PolarHBondContact O-N 3.41Å; H90-Q93 PolarHBondContact O-N 3.05Å; I91-Q93 PolarHBondContact O-N 2.97Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 3Å; Q93-I96 PolarHBondContact O-N 3.03Å; Q93-N97 PolarHBondContact NE2-OD1 2.82Å; Q93-N97 PolarHBondContact O-N 3.2Å; Q93-N97 PolarHBondContact O-OD1 2.96Å
94S94Very high92.8Very high33 Ų3349.7 Ų49.723%0.23127%0.266CS..Hα-helixtrans-64.2-38.9176.7-169.70000111.8L74 H90 I91 I92 N97 L98L74-S94 WeakPolarHBondContact CD1-OG 3.36Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.16Å; I91-S94 PolarHBondContact O-N 2.71Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 2.96Å; S94-N97 PolarHBondContact O-N 2.93Å; S94-L98 PolarHBondContact O-N 2.81Å
95L94.6Very high92.6Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-64.9-45.1175.5176.267.9000111.6F9 V40 F42 I55 F57 L72 L74 I91 I92 Q93 N97 L98 V99F9-L95 HydrophobicContact CE2-CD2 4.42Å; F9-L95 HydrophobicContact CZ-CD2 4.01Å; V40-L95 HydrophobicContact CG1-CD2 3.92Å; V40-L95 HydrophobicContact CG2-CD2 4.34Å; F42-L95 HydrophobicContact CZ-CD2 4.36Å; I55-L95 HydrophobicContact CG2-CD2 4.27Å; F57-L95 HydrophobicContact CE2-CD1 3.94Å; F57-L95 HydrophobicContact CZ-CD1 4.14Å; L72-L95 HydrophobicContact CD1-CD1 3.58Å; L72-L95 HydrophobicContact CD2-CD1 4.4Å; L74-L95 HydrophobicContact CD2-CB 4.27Å; I91-L95 PolarHBondContact O-N 3.39Å; I92-L95 PolarHBondContact O-N 3.39Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 3Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-N97 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.43Å; L95-V99 HydrophobicContact CD1-CG2 4.42Å; L95-V99 WeakPolarHBondContact O-CG2 3.12Å; L95-V99 PolarHBondContact O-N 2.99Å
96I91.8Very high92.3Very high7 Ų755.4 Ų55.44%0.03628%0.276CS..Hα-helixtrans-59.3-43176.7-67.6162.9000110.4L6 V8 F9 L26 I92 Q93 V99 N100L6-I96 HydrophobicContact CD2-CD1 4.09Å; V8-I96 HydrophobicContact CB-CD1 3.8Å; V8-I96 HydrophobicContact CB-CG1 4.32Å; V8-I96 HydrophobicContact CG1-CD1 4.18Å; V8-I96 HydrophobicContact CG1-CG1 4.15Å; V8-I96 HydrophobicContact CG1-CG2 4.46Å; V8-I96 HydrophobicContact CG2-CD1 3.91Å; F9-I96 HydrophobicContact CD2-CD1 4.32Å; F9-I96 HydrophobicContact CE2-CD1 4.46Å; F9-I96 HydrophobicContact CE2-CG1 4.33Å; L26-I96 HydrophobicContact CD1-CG1 3.74Å; I92-I96 HydrophobicContact CG2-CD1 3.76Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.39Å; I92-I96 PolarHBondContact O-N 3.33Å; Q93-I96 PolarHBondContact O-N 3.03Å; I96-V99 PolarHBondContact O-N 2.89Å; I96-N100 WeakPolarHBondContact O-CB 3.42Å; I96-N100 PolarHBondContact O-N 3.33Å; I96-N100 PolarHBondContact O-ND2 2.85Å
97N93.1Very high92.2Very high86 Ų8655.5 Ų55.546%0.4628%0.279SS..Hα-helixtrans-61.7-46.7177-68.8-3.5000111.2Q93 S94 L95 V99 N100 E101Q93-N97 PolarHBondContact NE2-OD1 2.82Å; Q93-N97 PolarHBondContact O-N 3.2Å; Q93-N97 PolarHBondContact O-OD1 2.96Å; S94-N97 PolarHBondContact O-N 2.93Å; L95-N97 VanDerWaalsContact C-N 3.28Å; L95-N97 PolarHBondContact O-N 3.15Å; N97-V99 VanDerWaalsContact C-N 3.32Å; N97-V99 PolarHBondContact O-N 3.4Å; N97-N100 PolarHBondContact O-N 2.98Å; N97-N100 VanDerWaalsContact O-N 3.15Å; N97-E101 PolarHBondContact O-N 2.94Å
98L94.4Very high92.4Very high8 Ų853.6 Ų53.64%0.04227%0.274CS..Hα-helixtrans-60.5-40.5178.4-176.167.1000112.3H63 N65 L72 L74 S94 L95 N100 E101 E103H63-L98 PolarHBondContact CE1-O 3.44Å; H63-L98 VanDerWaalsContact CE1-O 3.29Å; H63-L98 PolarHBondContact NE2-O 3.41Å; N65-L98 HydrophobicContact CB-CD1 4.03Å; N65-L98 HydrophobicContact CB-CD2 4.06Å; N65-L98 HydrophobicContact CB-CG 4.2Å; L72-L98 HydrophobicContact CD1-CD2 3.87Å; L74-L98 HydrophobicContact CD1-CB 4.16Å; L74-L98 HydrophobicContact CD1-CD2 3.84Å; S94-L98 PolarHBondContact O-N 2.81Å; L95-L98 PolarHBondContact O-N 3.43Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-E101 CarbonylContact O-C 3.57Å; L98-E101 VanDerWaalsContact O-C 3.3Å; L98-E103 HydrophobicContact CD1-CB 4.32Å; L98-E103 HydrophobicContact CD1-CG 3.97Å
99V94Very high92.7Very high3 Ų354 Ų542%0.01827%0.273CS..Hα-helixtrans-66.1-36.8177.3170.80000111.5L26 P28 Y33 F57 I61 L95 I96 N97L26-V99 HydrophobicContact CD2-CB 4.48Å; L26-V99 HydrophobicContact CD2-CG1 4.34Å; L26-V99 HydrophobicContact CD2-CG2 3.93Å; P28-V99 HydrophobicContact CG-CG1 4.26Å; Y33-V99 HydrophobicContact CD2-CG1 3.78Å; Y33-V99 WeakPolarHBondContact CD2-O 3.45Å; Y33-V99 HydrophobicContact CE2-CG1 4.23Å; Y33-V99 WeakPolarHBondContact CE2-O 3.37Å; Y33-V99 HydrophobicContact CG-CG1 4.33Å; F57-V99 HydrophobicContact CZ-CG2 3.79Å; I61-V99 HydrophobicContact CD1-CG1 4.5Å; L95-V99 HydrophobicContact CD1-CG2 4.42Å; L95-V99 WeakPolarHBondContact O-CG2 3.12Å; L95-V99 PolarHBondContact O-N 2.99Å; I96-V99 PolarHBondContact O-N 2.89Å; N97-V99 VanDerWaalsContact C-N 3.32Å; N97-V99 PolarHBondContact O-N 3.4Å
100N90.2Very high92.9Very high36 Ų3653.6 Ų53.619%0.19328%0.28CS..Hα-helixtrans-78.7-33.8179.9-76.2-27.9000113I96 N97 L98I96-N100 WeakPolarHBondContact O-CB 3.42Å; I96-N100 PolarHBondContact O-N 3.33Å; I96-N100 PolarHBondContact O-ND2 2.85Å; N97-N100 PolarHBondContact O-N 2.98Å; N97-N100 VanDerWaalsContact O-N 3.15Å; L98-N100 VanDerWaalsContact C-N 3.32Å
101E91.6Very high93.1Very high132 Ų13253.5 Ų53.562%0.61728%0.28SS*.SBendtrans-130.589.2-177.5-66.1-172.3-175.600109N97 L98N97-E101 PolarHBondContact O-N 2.94Å; L98-E101 CarbonylContact O-C 3.57Å; L98-E101 VanDerWaalsContact O-C 3.3Å
102P92.8Very high93.3Very high17 Ų1753.7 Ų53.711%0.1128%0.281CS..  trans-57.6145.4176.3-22.731.2000111.9P64 N65 P104 F116P64-P102 HydrophobicContact CG-CB 3.96Å; N65-P102 WeakPolarHBondContact OD1-CA 3.47Å; P102-P104 WeakPolarHBondContact O-CD 3.37Å; P102-F116 HydrophobicContact CB-CZ 4.5Å; P102-F116 HydrophobicContact CG-CE2 4.12Å; P102-F116 HydrophobicContact CG-CZ 4.23Å
103E93.8Very high93.5Very high76 Ų7652.9 Ų52.936%0.35528%0.277SS..  trans-106.795.7178.1-67.7-178.3-172.900109.9N65 L98 D105 H106 S107N65-E103 PolarHBondContact ND2-O 2.77Å; N65-E103 PolarHBondContact OD1-N 3.45Å; L98-E103 HydrophobicContact CD1-CB 4.32Å; L98-E103 HydrophobicContact CD1-CG 3.97Å; E103-D105 VanDerWaalsContact C-N 3.33Å; E103-D105 PolarHBondContact O-N 2.95Å; E103-H106 CarbonylContact O-C 3.6Å; E103-H106 PolarHBondContact O-N 3.48Å; E103-H106 IonicContact OE2-CD2 3.55Å; E103-S107 PolarHBondContact O-N 3.12Å
104P91.8Very high93.8Very high27 Ų2754 Ų5418%0.17528%0.283CS..G310 helixtrans-63.1-36-171-24.837.6000113.7P102 H106 S107 A113 F116 L117P102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-H106 PolarHBondContact O-N 2.8Å; P104-S107 WeakPolarHBondContact O-CB 3.39Å; P104-S107 PolarHBondContact O-N 3.25Å; P104-S107 PolarHBondContact O-OG 3.1Å; P104-A113 HydrophobicContact CB-CB 4.08Å; P104-F116 HydrophobicContact CG-CD1 3.9Å; P104-F116 HydrophobicContact CG-CE1 4.16Å; P104-L117 HydrophobicContact CB-CD1 3.79Å; P104-L117 HydrophobicContact CB-CD2 4.24Å; P104-L117 HydrophobicContact CB-CG 3.99Å; P104-L117 HydrophobicContact CG-CD1 4.35Å; P104-L117 HydrophobicContact CG-CD2 3.89Å; P104-L117 HydrophobicContact CG-CG 4.05Å
105D91.1Very high93.9Very high151 Ų15153.9 Ų53.981%0.80728%0.279SS*.G310 helixtrans-67.4-17.6-178.7-62.1-28.2000113.2E103E103-D105 VanDerWaalsContact C-N 3.33Å; E103-D105 PolarHBondContact O-N 2.95Å
106H89.9Confident94Very high128 Ų12855.6 Ų55.659%0.59329%0.286SS*.G310 helixtrans-122.828.7179-58.7-41.1000111.5N65 E103 P104N65-H106 PolarHBondContact ND2-O 2.72Å; E103-H106 CarbonylContact O-C 3.6Å; E103-H106 PolarHBondContact O-N 3.48Å; E103-H106 IonicContact OE2-CD2 3.55Å; P104-H106 PolarHBondContact O-N 2.8Å
107S92.8Very high94.2Very high27 Ų2760.9 Ų60.919%0.18931%0.314CS..  trans-71.9141.1178.659.30000112.2P64 E103 P104 R109 A113P64-S107 CarbonylContact O-C 3.55Å; P64-S107 WeakPolarHBondContact O-CA 3.07Å; P64-S107 WeakPolarHBondContact O-CB 3.44Å; E103-S107 PolarHBondContact O-N 3.12Å; P104-S107 WeakPolarHBondContact O-CB 3.39Å; P104-S107 PolarHBondContact O-N 3.25Å; P104-S107 PolarHBondContact O-OG 3.1Å; S107-R109 VanDerWaalsContact C-N 3.33Å; S107-A113 VanDerWaalsContact OG-CB 3.22Å; S107-A113 WeakPolarHBondContact OG-CB 3.31Å
108L95.5Very high94.3Very high81 Ų8164.2 Ų64.242%0.42432%0.324SS..SBendtrans-85.1-16.3168.8-63.7179.5000111.5P64 D67 Q71P64-L108 PolarHBondContact O-N 3.45Å; D67-L108 HydrophobicContact CB-CB 4.33Å; D67-L108 HydrophobicContact CB-CD1 4.23Å; Q71-L108 WeakPolarHBondContact O-CD1 3.48Å
109R96.2Very high94.4Very high31 Ų3167.7 Ų67.712%0.11734%0.343CS..  trans-126.386.2-178.1-66.9-175.763.2-174-1.1109.8P64 V66 S107 E111 L112 A113P64-R109 PolarHBondContact O-N 3.5Å; V66-R109 WeakPolarHBondContact O-CD 3.45Å; S107-R109 VanDerWaalsContact C-N 3.33Å; R109-E111 WeakPolarHBondContact CA-OE2 3.41Å; R109-E111 WeakPolarHBondContact CB-OE1 3.38Å; R109-E111 IonicContact CZ-OE1 3.2Å; R109-E111 IonicContact NE-OE1 3.78Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 IonicContact NH2-OE1 3.73Å; R109-E111 PolarHBondContact NH2-OE1 3.41Å; R109-E111 PolarHBondContact O-N 2.93Å; R109-L112 HydrophobicContact CB-CB 4.17Å; R109-L112 HydrophobicContact CB-CD1 4.42Å; R109-L112 HydrophobicContact CB-CG 4.06Å; R109-L112 PolarHBondContact O-N 3.38Å; R109-L112 VanDerWaalsContact O-N 3.07Å; R109-A113 PolarHBondContact O-N 2.92Å; R109-A113 VanDerWaalsContact O-N 3.09Å
110S95.2Very high94.5Very high83 Ų8374.8 Ų74.858%0.5837%0.369SS*.Hα-helixtrans-60.4-32.7-173.8-48.70000112.5L112 A113 E114S110-L112 VanDerWaalsContact C-N 3.32Å; S110-L112 PolarHBondContact O-N 3.5Å; S110-A113 PolarHBondContact O-N 3.22Å; S110-E114 WeakPolarHBondContact O-CB 3.4Å; S110-E114 PolarHBondContact O-N 3.23Å
111E96.2Very high94.8Very high99 Ų9979.2 Ų79.246%0.46339%0.393SS..Hα-helixtrans-63.4-38.1176.275.1-68.6173.200112.1R109 E115R109-E111 WeakPolarHBondContact CA-OE2 3.41Å; R109-E111 WeakPolarHBondContact CB-OE1 3.38Å; R109-E111 IonicContact CZ-OE1 3.2Å; R109-E111 IonicContact NE-OE1 3.78Å; R109-E111 PolarHBondContact NE-OE1 3.47Å; R109-E111 IonicContact NH2-OE1 3.73Å; R109-E111 PolarHBondContact NH2-OE1 3.41Å; R109-E111 PolarHBondContact O-N 2.93Å; E111-E115 WeakPolarHBondContact O-CB 3.32Å; E111-E115 PolarHBondContact O-N 3.42Å
112L96.9Very high95.1Very high4 Ų478.2 Ų78.22%0.02139%0.386CS..Hα-helixtrans-75.7-36.5176.7-64.9-157.2000112.1Y62 P64 R109 S110 E115 F116 F123Y62-L112 HydrophobicContact CD1-CD1 3.91Å; Y62-L112 HydrophobicContact CD1-CD2 4.41Å; Y62-L112 HydrophobicContact CD2-CD1 4.12Å; Y62-L112 HydrophobicContact CD2-CD2 4.42Å; Y62-L112 HydrophobicContact CE1-CD1 3.93Å; Y62-L112 HydrophobicContact CE1-CD2 3.61Å; Y62-L112 HydrophobicContact CE1-CG 4.36Å; Y62-L112 HydrophobicContact CE2-CD1 4.13Å; Y62-L112 HydrophobicContact CE2-CD2 3.61Å; Y62-L112 HydrophobicContact CG-CD1 4.03Å; Y62-L112 WeakPolarHBondContact OH-CD2 3.46Å; P64-L112 HydrophobicContact CB-CB 4.23Å; P64-L112 HydrophobicContact CG-CB 4.06Å; R109-L112 HydrophobicContact CB-CB 4.17Å; R109-L112 HydrophobicContact CB-CD1 4.42Å; R109-L112 HydrophobicContact CB-CG 4.06Å; R109-L112 PolarHBondContact O-N 3.38Å; R109-L112 VanDerWaalsContact O-N 3.07Å; S110-L112 VanDerWaalsContact C-N 3.32Å; S110-L112 PolarHBondContact O-N 3.5Å; L112-E115 PolarHBondContact O-N 2.98Å; L112-F116 VanDerWaalsContact O-CB 3.27Å; L112-F116 WeakPolarHBondContact O-CB 3.34Å; L112-F116 PolarHBondContact O-N 2.83Å; L112-F123 HydrophobicContact CB-CE2 4.38Å
113A96.5Very high95.3Very high5 Ų577.4 Ų77.44%0.04138%0.381CS..Hα-helixtrans-63.3-43.8174.400000111.5P64 P104 S107 R109 S110 F116 L117P64-A113 HydrophobicContact CB-CB 4.18Å; P104-A113 HydrophobicContact CB-CB 4.08Å; S107-A113 VanDerWaalsContact OG-CB 3.22Å; S107-A113 WeakPolarHBondContact OG-CB 3.31Å; R109-A113 PolarHBondContact O-N 2.92Å; R109-A113 VanDerWaalsContact O-N 3.09Å; S110-A113 PolarHBondContact O-N 3.22Å; A113-F116 PolarHBondContact O-N 2.81Å; A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 WeakPolarHBondContact O-CG 3.36Å; A113-L117 PolarHBondContact O-N 2.95Å
114E97Very high95.4Very high101 Ų10176.2 Ų76.247%0.47238%0.377SS..Hα-helixtrans-62.9-44175.5-175177.6-178.100111.4S110 L117 K118S110-E114 WeakPolarHBondContact O-CB 3.4Å; S110-E114 PolarHBondContact O-N 3.23Å; E114-L117 PolarHBondContact O-N 3.28Å; E114-K118 HydrophobicContact CG-CD 3.73Å; E114-K118 HydrophobicContact CG-CG 4.24Å; E114-K118 VanDerWaalsContact O-CB 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 WeakPolarHBondContact O-CG 3.4Å; E114-K118 PolarHBondContact O-N 2.98Å; E114-K118 VanDerWaalsContact OE1-CE 3.28Å; E114-K118 WeakPolarHBondContact OE1-CE 3.47Å; E114-K118 IonicContact OE1-NZ 2.61Å; E114-K118 PolarHBondContact OE1-NZ 2.86Å
115E96.7Very high95.7Very high30 Ų3081.2 Ų81.214%0.1440%0.396CS..Hα-helixtrans-62.2-42.6175-172.417377.100111.8Y62 E111 L112 L117 N119 K122 F123Y62-E115 PolarHBondContact OH-OE1 2.77Å; E111-E115 WeakPolarHBondContact O-CB 3.32Å; E111-E115 PolarHBondContact O-N 3.42Å; L112-E115 PolarHBondContact O-N 2.98Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.89Å; E115-N119 CarbonylContact O-C 3.08Å; E115-N119 WeakPolarHBondContact O-CA 3.43Å; E115-N119 PolarHBondContact O-N 3.07Å; E115-K122 HydrophobicContact CG-CD 4.43Å; E115-K122 VanDerWaalsContact OE2-CD 3.31Å; E115-K122 WeakPolarHBondContact OE2-CD 3.37Å; E115-K122 WeakPolarHBondContact OE2-CE 3.27Å; E115-K122 IonicContact OE2-NZ 2.69Å; E115-K122 PolarHBondContact OE2-NZ 2.75Å; E115-F123 HydrophobicContact CG-CB 4.15Å
116F96.2Very high96Very high36 Ų3676 Ų7616%0.15837%0.37CS..Hα-helixtrans-60.3-42.9176.7178.5-102.2000112.2P102 P104 L112 A113 R120 F123P102-F116 HydrophobicContact CB-CZ 4.5Å; P102-F116 HydrophobicContact CG-CE2 4.12Å; P102-F116 HydrophobicContact CG-CZ 4.23Å; P104-F116 HydrophobicContact CG-CD1 3.9Å; P104-F116 HydrophobicContact CG-CE1 4.16Å; L112-F116 VanDerWaalsContact O-CB 3.27Å; L112-F116 WeakPolarHBondContact O-CB 3.34Å; L112-F116 PolarHBondContact O-N 2.83Å; A113-F116 PolarHBondContact O-N 2.81Å; F116-R120 HydrophobicContact CD2-CG 4.3Å; F116-R120 HydrophobicContact CE2-CG 4.21Å; F116-R120 WeakPolarHBondContact O-CB 3.49Å; F116-F123 HydrophobicContact CB-CD2 4.01Å; F116-F123 HydrophobicContact CB-CE2 4.39Å; F116-F123 HydrophobicContact CB-CG 4.11Å; F116-F123 AromaticContact CD2-CD1 3.59Å; F116-F123 HydrophobicContact CD2-CD1 3.59Å; F116-F123 HydrophobicContact CD2-CD2 4.48Å; F116-F123 AromaticContact CD2-CE1 3.79Å; F116-F123 HydrophobicContact CD2-CE1 3.79Å; F116-F123 AromaticContact CD2-CG 3.98Å; F116-F123 HydrophobicContact CD2-CG 3.98Å; F116-F123 HydrophobicContact CD2-CZ 4.33Å; F116-F123 HydrophobicContact CE2-CD1 4.35Å; F116-F123 HydrophobicContact CE2-CE1 4.36Å
117L95.7Very high96.4Very high117 Ų11770 Ų7061%0.61334%0.342SS*.Hα-helixtrans-73.9-44.7179.6-72.4174.9000112.9P104 A113 E114 E115P104-L117 HydrophobicContact CB-CD1 3.79Å; P104-L117 HydrophobicContact CB-CD2 4.24Å; P104-L117 HydrophobicContact CB-CG 3.99Å; P104-L117 HydrophobicContact CG-CD1 4.35Å; P104-L117 HydrophobicContact CG-CD2 3.89Å; P104-L117 HydrophobicContact CG-CG 4.05Å; A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 WeakPolarHBondContact O-CG 3.36Å; A113-L117 PolarHBondContact O-N 2.95Å; E114-L117 PolarHBondContact O-N 3.28Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.89Å
118K96.7Very high96.6Very high157 Ų15770.8 Ų70.868%0.68334%0.343SS*.Hα-helixtrans-86.4-33.9-173.3-66.4-173.5179.2179.80113.5E114E114-K118 HydrophobicContact CG-CD 3.73Å; E114-K118 HydrophobicContact CG-CG 4.24Å; E114-K118 VanDerWaalsContact O-CB 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 WeakPolarHBondContact O-CG 3.4Å; E114-K118 PolarHBondContact O-N 2.98Å; E114-K118 VanDerWaalsContact OE1-CE 3.28Å; E114-K118 WeakPolarHBondContact OE1-CE 3.47Å; E114-K118 IonicContact OE1-NZ 2.61Å; E114-K118 PolarHBondContact OE1-NZ 2.86Å
119N96.1Very high96.7Very high80 Ų8072 Ų7243%0.42835%0.346SS..  trans-14568.2-175.9-165.7-16.6000111.6E115 N121 K122 F123E115-N119 CarbonylContact O-C 3.08Å; E115-N119 WeakPolarHBondContact O-CA 3.43Å; E115-N119 PolarHBondContact O-N 3.07Å; N119-N121 PolarHBondContact O-N 2.8Å; N119-N121 VanDerWaalsContact O-N 3.16Å; N119-K122 HydrophobicContact CB-CB 4.11Å; N119-K122 VanDerWaalsContact CG-CB 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.47Å; N119-K122 PolarHBondContact O-N 2.85Å; N119-K122 WeakPolarHBondContact OD1-CB 3.36Å; N119-K122 PolarHBondContact OD1-N 3.25Å; N119-K122 VanDerWaalsContact OD1-N 3.17Å; N119-F123 PolarHBondContact O-N 2.84Å
120R95.5Very high96.8Very high153 Ų15373.4 Ų73.458%0.57735%0.352SS*.Hα-helixtrans-54.5-36.6-177.7-162.6158.781116.7-2.5113.7F116 F123 L124F116-R120 HydrophobicContact CD2-CG 4.3Å; F116-R120 HydrophobicContact CE2-CG 4.21Å; F116-R120 WeakPolarHBondContact O-CB 3.49Å; R120-F123 PolarHBondContact O-N 2.9Å; R120-L124 HydrophobicContact CG-CD1 4.26Å; R120-L124 HydrophobicContact CG-CG 4.34Å; R120-L124 WeakPolarHBondContact O-CB 3.39Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 2.78Å
121N96.9Very high96.9Very high129 Ų12969.5 Ų69.569%0.6932%0.324SS*.Hα-helixtrans-64.8-41.4178.1-71-18.9000112.2N119 K125N119-N121 PolarHBondContact O-N 2.8Å; N119-N121 VanDerWaalsContact O-N 3.16Å; N121-K125 WeakPolarHBondContact O-CB 3.38Å; N121-K125 PolarHBondContact O-N 2.79Å; N121-K125 VanDerWaalsContact O-N 3.1Å
122K97.2Very high96.9Very high110 Ų11072.5 Ų72.548%0.47833%0.332SS..Hα-helixtrans-63.9-47.8174.3-175.4-173.6177.4-142.70110.6E115 N119 L124 K125 T126E115-K122 HydrophobicContact CG-CD 4.43Å; E115-K122 VanDerWaalsContact OE2-CD 3.31Å; E115-K122 WeakPolarHBondContact OE2-CD 3.37Å; E115-K122 WeakPolarHBondContact OE2-CE 3.27Å; E115-K122 IonicContact OE2-NZ 2.69Å; E115-K122 PolarHBondContact OE2-NZ 2.75Å; N119-K122 HydrophobicContact CB-CB 4.11Å; N119-K122 VanDerWaalsContact CG-CB 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.47Å; N119-K122 PolarHBondContact O-N 2.85Å; N119-K122 WeakPolarHBondContact OD1-CB 3.36Å; N119-K122 PolarHBondContact OD1-N 3.25Å; N119-K122 VanDerWaalsContact OD1-N 3.17Å; K122-L124 PolarHBondContact O-N 2.9Å; K122-K125 PolarHBondContact O-N 2.69Å; K122-T126 PolarHBondContact O-N 3.04Å; K122-T126 PolarHBondContact O-OG1 3.3Å
123F97.5Very high96.9Very high1 Ų179.3 Ų79.30%0.00436%0.361CS..Hα-helixtrans-53.6-52176.6175.3-88.5000111.4P32 Y62 P64 L112 E115 F116 N119 R120 K125 T126 A127P32-F123 HydrophobicContact CG-CE1 4.47Å; Y62-F123 HydrophobicContact CD1-CD2 4.27Å; Y62-F123 AromaticContact CD1-CE2 3.81Å; Y62-F123 HydrophobicContact CD1-CE2 3.81Å; Y62-F123 HydrophobicContact CD1-CZ 4.29Å; Y62-F123 AromaticContact CE1-CD2 3.77Å; Y62-F123 HydrophobicContact CE1-CD2 3.77Å; Y62-F123 AromaticContact CE1-CE2 3.72Å; Y62-F123 HydrophobicContact CE1-CE2 3.72Å; P64-F123 HydrophobicContact CG-CE2 3.99Å; P64-F123 HydrophobicContact CG-CZ 4.19Å; L112-F123 HydrophobicContact CB-CE2 4.38Å; E115-F123 HydrophobicContact CG-CB 4.15Å; F116-F123 HydrophobicContact CB-CD2 4.01Å; F116-F123 HydrophobicContact CB-CE2 4.39Å; F116-F123 HydrophobicContact CB-CG 4.11Å; F116-F123 AromaticContact CD2-CD1 3.59Å; F116-F123 HydrophobicContact CD2-CD1 3.59Å; F116-F123 HydrophobicContact CD2-CD2 4.48Å; F116-F123 AromaticContact CD2-CE1 3.79Å; F116-F123 HydrophobicContact CD2-CE1 3.79Å; F116-F123 AromaticContact CD2-CG 3.98Å; F116-F123 HydrophobicContact CD2-CG 3.98Å; F116-F123 HydrophobicContact CD2-CZ 4.33Å; F116-F123 HydrophobicContact CE2-CD1 4.35Å; F116-F123 HydrophobicContact CE2-CE1 4.36Å; N119-F123 PolarHBondContact O-N 2.84Å; R120-F123 PolarHBondContact O-N 2.9Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 3.4Å; F123-T126 PolarHBondContact O-N 2.82Å; F123-A127 HydrophobicContact CE1-CB 4.19Å; F123-A127 HydrophobicContact CZ-CB 4.41Å; F123-A127 WeakPolarHBondContact O-CB 3.49Å; F123-A127 PolarHBondContact O-N 2.92Å
124L96.6Very high96.9Very high50 Ų5083.4 Ų83.426%0.26238%0.376SS..Hα-helixtrans-60.2-44-178.2-70.6174.5000111.7P32 R120 K122 A127 E128P32-L124 HydrophobicContact CB-CD2 4.11Å; P32-L124 WeakPolarHBondContact CB-O 3.06Å; P32-L124 HydrophobicContact CG-CD2 3.86Å; R120-L124 HydrophobicContact CG-CD1 4.26Å; R120-L124 HydrophobicContact CG-CG 4.34Å; R120-L124 WeakPolarHBondContact O-CB 3.39Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.42Å; R120-L124 PolarHBondContact O-N 2.78Å; K122-L124 PolarHBondContact O-N 2.9Å; L124-A127 PolarHBondContact O-N 3.35Å; L124-E128 WeakPolarHBondContact O-CB 3.48Å; L124-E128 PolarHBondContact O-N 2.99Å
125K97.7Very high96.8Very high133 Ų13379.7 Ų79.758%0.57836%0.362SS*.Hα-helixtrans-62.3-49177.6-177.1177.8175.4-179.30111.7N121 K122 F123 E128 E129N121-K125 WeakPolarHBondContact O-CB 3.38Å; N121-K125 PolarHBondContact O-N 2.79Å; N121-K125 VanDerWaalsContact O-N 3.1Å; K122-K125 PolarHBondContact O-N 2.69Å; F123-K125 VanDerWaalsContact C-N 3.34Å; F123-K125 PolarHBondContact O-N 3.4Å; K125-E128 PolarHBondContact O-N 2.89Å; K125-E129 WeakPolarHBondContact CE-OE1 3.5Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.18Å
126T97.6Very high96.7Very high42 Ų4280.8 Ų80.826%0.25837%0.367SS..Hα-helixtrans-65-40.6179.5-61.60000111.4Y62 K122 F123 E128 E129 Y130Y62-T126 HydrophobicContact CD2-CG2 4.37Å; Y62-T126 HydrophobicContact CE1-CG2 4.02Å; Y62-T126 HydrophobicContact CE2-CG2 3.8Å; K122-T126 PolarHBondContact O-N 3.04Å; K122-T126 PolarHBondContact O-OG1 3.3Å; F123-T126 PolarHBondContact O-N 2.82Å; T126-E128 VanDerWaalsContact C-N 3.35Å; T126-E128 PolarHBondContact O-N 2.87Å; T126-E129 PolarHBondContact O-N 3.38Å; T126-Y130 VanDerWaalsContact O-CB 3.25Å; T126-Y130 WeakPolarHBondContact O-CB 3.09Å; T126-Y130 PolarHBondContact O-N 3.1Å
127A97.7Very high96.5Very high0 Ų084.2 Ų84.20%039%0.393CS..Hα-helixtrans-64.3-37.7176.300000112.3P32 Y33 Y62 F123 L124 T131P32-A127 HydrophobicContact CB-CB 3.67Å; P32-A127 HydrophobicContact CG-CB 3.4Å; P32-A127 VanDerWaalsContact CG-CB 3.4Å; Y33-A127 HydrophobicContact CE1-CB 4.24Å; Y62-A127 HydrophobicContact CD1-CB 3.85Å; F123-A127 HydrophobicContact CE1-CB 4.19Å; F123-A127 HydrophobicContact CZ-CB 4.41Å; F123-A127 WeakPolarHBondContact O-CB 3.49Å; F123-A127 PolarHBondContact O-N 2.92Å; L124-A127 PolarHBondContact O-N 3.35Å; A127-T131 VanDerWaalsContact O-CB 3.3Å; A127-T131 WeakPolarHBondContact O-CB 3.28Å; A127-T131 PolarHBondContact O-N 2.99Å; A127-T131 PolarHBondContact O-OG1 3.13Å
128E97.2Very high96.2Very high45 Ų4583 Ų8321%0.2138%0.38CS..Hα-helixtrans-67.6-47.1175.3-171.1-172.4152.700111.3P32 K35 L124 K125 T126 Y130 T131 R132P32-E128 HydrophobicContact CB-CB 4.24Å; K35-E128 HydrophobicContact CG-CG 3.83Å; L124-E128 WeakPolarHBondContact O-CB 3.48Å; L124-E128 PolarHBondContact O-N 2.99Å; K125-E128 PolarHBondContact O-N 2.89Å; T126-E128 VanDerWaalsContact C-N 3.35Å; T126-E128 PolarHBondContact O-N 2.87Å; E128-Y130 VanDerWaalsContact C-N 3.3Å; E128-Y130 PolarHBondContact O-N 3.46Å; E128-T131 WeakPolarHBondContact O-CB 2.88Å; E128-T131 PolarHBondContact O-N 3.15Å; E128-R132 WeakPolarHBondContact O-CG 3.31Å; E128-R132 PolarHBondContact O-N 2.94Å; E128-R132 IonicContact OE1-CZ 3.25Å; E128-R132 VanDerWaalsContact OE1-CZ 3.27Å; E128-R132 IonicContact OE1-NE 3.68Å; E128-R132 PolarHBondContact OE1-NE 3.06Å; E128-R132 IonicContact OE1-NH2 2.93Å; E128-R132 PolarHBondContact OE1-NH2 3.06Å
129E97.9Very high95.5Very high107 Ų10777.6 Ų77.650%0.536%0.36SS..Hα-helixtrans-59.3-42.6176-73.3173.5-17500111.3K125 T126 R132 K133K125-E129 WeakPolarHBondContact CE-OE1 3.5Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.18Å; T126-E129 PolarHBondContact O-N 3.38Å; E129-R132 PolarHBondContact O-N 3.02Å; E129-K133 WeakPolarHBondContact O-CB 3.36Å; E129-K133 PolarHBondContact O-N 2.96Å; E129-K133 VanDerWaalsContact O-N 3.14Å
130Y98Very high94.1Very high59 Ų5985.4 Ų85.423%0.23140%0.395CS..Hα-helixtrans-63.9-44.3175.8-161-80.6000111.4K60 Y62 T126 E128 K133 Y134K60-Y130 HydrophobicContact CB-CE1 3.86Å; Y62-Y130 AromaticContact CD2-CD2 3.98Å; Y62-Y130 HydrophobicContact CD2-CD2 3.98Å; Y62-Y130 HydrophobicContact CD2-CE2 4.44Å; Y62-Y130 HydrophobicContact CD2-CG 4.28Å; Y62-Y130 HydrophobicContact CG-CG 4.42Å; T126-Y130 VanDerWaalsContact O-CB 3.25Å; T126-Y130 WeakPolarHBondContact O-CB 3.09Å; T126-Y130 PolarHBondContact O-N 3.1Å; E128-Y130 VanDerWaalsContact C-N 3.3Å; E128-Y130 PolarHBondContact O-N 3.46Å; Y130-K133 PolarHBondContact O-N 2.81Å; Y130-Y134 AromaticContact CD1-CD2 3.56Å; Y130-Y134 HydrophobicContact CD1-CD2 3.56Å; Y130-Y134 HydrophobicContact CD1-CE2 4.36Å; Y130-Y134 HydrophobicContact CD1-CG 4.35Å; Y130-Y134 AromaticContact CD2-CD2 3.82Å; Y130-Y134 HydrophobicContact CD2-CD2 3.82Å; Y130-Y134 AromaticContact CD2-CE2 3.77Å; Y130-Y134 HydrophobicContact CD2-CE2 3.77Å; Y130-Y134 AromaticContact CE1-CD2 3.4Å; Y130-Y134 HydrophobicContact CE1-CD2 3.4Å; Y130-Y134 VanDerWaalsContact CE1-CD2 3.4Å; Y130-Y134 HydrophobicContact CE1-CE2 4.13Å; Y130-Y134 AromaticContact CE1-CG 3.97Å; Y130-Y134 HydrophobicContact CE1-CG 3.97Å; Y130-Y134 AromaticContact CE2-CD2 3.69Å; Y130-Y134 HydrophobicContact CE2-CD2 3.69Å; Y130-Y134 AromaticContact CE2-CE2 3.53Å; Y130-Y134 HydrophobicContact CE2-CE2 3.53Å; Y130-Y134 AromaticContact CG-CD2 3.75Å; Y130-Y134 HydrophobicContact CG-CD2 3.75Å; Y130-Y134 HydrophobicContact CG-CE2 4.18Å; Y130-Y134 AromaticContact CZ-CD2 3.47Å; Y130-Y134 VanDerWaalsContact CZ-CD2 3.47Å; Y130-Y134 AromaticContact CZ-CE2 3.72Å; Y130-Y134 WeakPolarHBondContact O-CD2 3.39Å; Y130-Y134 PolarHBondContact O-N 3.3Å
131T97.2Very high94Very high1 Ų182.1 Ų82.11%0.00639%0.385CS..Hα-helixtrans-57.4-52.6175.7-62.80000109.9K35 F38 A127 E128 K133 Y134 S135K35-T131 HydrophobicContact CB-CG2 4.33Å; F38-T131 HydrophobicContact CE2-CG2 4.39Å; F38-T131 HydrophobicContact CZ-CG2 3.86Å; A127-T131 VanDerWaalsContact O-CB 3.3Å; A127-T131 WeakPolarHBondContact O-CB 3.28Å; A127-T131 PolarHBondContact O-N 2.99Å; A127-T131 PolarHBondContact O-OG1 3.13Å; E128-T131 WeakPolarHBondContact O-CB 2.88Å; E128-T131 PolarHBondContact O-N 3.15Å; T131-K133 PolarHBondContact O-N 2.99Å; T131-K133 VanDerWaalsContact O-N 3.11Å; T131-Y134 PolarHBondContact O-N 2.72Å; T131-S135 WeakPolarHBondContact O-CB 3.28Å; T131-S135 PolarHBondContact O-N 3.42Å; T131-S135 PolarHBondContact O-OG 3.49Å
132R95.9Very high93.9Very high162 Ų16279.6 Ų79.661%0.61137%0.369SS*.Hα-helixtrans-57.8-29.9179.1-70.9173.6-179.2-109.67.5113.5K35 E128 E129K35-R132 HydrophobicContact CB-CG 4.04Å; K35-R132 HydrophobicContact CG-CG 4.49Å; E128-R132 WeakPolarHBondContact O-CG 3.31Å; E128-R132 PolarHBondContact O-N 2.94Å; E128-R132 IonicContact OE1-CZ 3.25Å; E128-R132 VanDerWaalsContact OE1-CZ 3.27Å; E128-R132 IonicContact OE1-NE 3.68Å; E128-R132 PolarHBondContact OE1-NE 3.06Å; E128-R132 IonicContact OE1-NH2 2.93Å; E128-R132 PolarHBondContact OE1-NH2 3.06Å; E129-R132 PolarHBondContact O-N 3.02Å
133K97Very high93.7Very high148 Ų14877.9 Ų77.964%0.64336%0.363SS*.Hα-helixtrans-86.4-36.6-176.3-173.8173.3178.8-169.80114.3E129 Y130 T131E129-K133 WeakPolarHBondContact O-CB 3.36Å; E129-K133 PolarHBondContact O-N 2.96Å; E129-K133 VanDerWaalsContact O-N 3.14Å; Y130-K133 PolarHBondContact O-N 2.81Å; T131-K133 PolarHBondContact O-N 2.99Å; T131-K133 VanDerWaalsContact O-N 3.11Å
134Y96.5Very high93.4Very high90 Ų9082.4 Ų82.435%0.35338%0.384SS..Hα-helixtrans-120.6-13.6-168-62-71.3000114.8T59 Y130 T131T59-Y134 WeakPolarHBondContact CG2-O 3.2Å; Y130-Y134 AromaticContact CD1-CD2 3.56Å; Y130-Y134 HydrophobicContact CD1-CD2 3.56Å; Y130-Y134 HydrophobicContact CD1-CE2 4.36Å; Y130-Y134 HydrophobicContact CD1-CG 4.35Å; Y130-Y134 AromaticContact CD2-CD2 3.82Å; Y130-Y134 HydrophobicContact CD2-CD2 3.82Å; Y130-Y134 AromaticContact CD2-CE2 3.77Å; Y130-Y134 HydrophobicContact CD2-CE2 3.77Å; Y130-Y134 AromaticContact CE1-CD2 3.4Å; Y130-Y134 HydrophobicContact CE1-CD2 3.4Å; Y130-Y134 VanDerWaalsContact CE1-CD2 3.4Å; Y130-Y134 HydrophobicContact CE1-CE2 4.13Å; Y130-Y134 AromaticContact CE1-CG 3.97Å; Y130-Y134 HydrophobicContact CE1-CG 3.97Å; Y130-Y134 AromaticContact CE2-CD2 3.69Å; Y130-Y134 HydrophobicContact CE2-CD2 3.69Å; Y130-Y134 AromaticContact CE2-CE2 3.53Å; Y130-Y134 HydrophobicContact CE2-CE2 3.53Å; Y130-Y134 AromaticContact CG-CD2 3.75Å; Y130-Y134 HydrophobicContact CG-CD2 3.75Å; Y130-Y134 HydrophobicContact CG-CE2 4.18Å; Y130-Y134 AromaticContact CZ-CD2 3.47Å; Y130-Y134 VanDerWaalsContact CZ-CD2 3.47Å; Y130-Y134 AromaticContact CZ-CE2 3.72Å; Y130-Y134 WeakPolarHBondContact O-CD2 3.39Å; Y130-Y134 PolarHBondContact O-N 3.3Å; T131-Y134 PolarHBondContact O-N 2.72Å
135S95.3Very high93.2Very high24 Ų2484.4 Ų84.417%0.16839%0.392CS..SBendtrans-73.1163.6178.3710000112.2G36 A37 T131G36-S135 WeakPolarHBondContact CA-OG 3.29Å; A37-S135 WeakPolarHBondContact O-CB 3.41Å; T131-S135 WeakPolarHBondContact O-CB 3.28Å; T131-S135 PolarHBondContact O-N 3.42Å; T131-S135 PolarHBondContact O-OG 3.49Å
136E94.4Very high93Very high53 Ų5381.2 Ų81.225%0.24838%0.38CS..BIsolated β-bridgetrans-74.4151.1169.8-55.1-67.4162.600110.2L25 A37 K39 T59 R138L25-E136 HydrophobicContact CD1-CB 4.04Å; L25-E136 HydrophobicContact CD1-CG 4.03Å; A37-E136 HydrophobicContact CB-CB 4.29Å; A37-E136 PolarHBondContact N-O 3.35Å; A37-E136 WeakPolarHBondContact O-CB 3.47Å; A37-E136 PolarHBondContact O-N 2.79Å; K39-E136 HydrophobicContact CD-CG 4.14Å; K39-E136 WeakPolarHBondContact CD-OE1 3.25Å; K39-E136 VanDerWaalsContact CE-CD 3.41Å; K39-E136 WeakPolarHBondContact CE-OE1 3.03Å; K39-E136 HydrophobicContact CG-CG 4.07Å; K39-E136 IonicContact NZ-OE1 2.84Å; K39-E136 PolarHBondContact NZ-OE1 2.79Å; K39-E136 IonicContact NZ-OE2 2.85Å; K39-E136 PolarHBondContact NZ-OE2 3.38Å; T59-E136 HydrophobicContact CG2-CG 4.3Å; T59-E136 PolarHBondContact OG1-OE1 3.34Å; E136-R138 PolarHBondContact O-N 3.05Å
137P91.3Very high92.6Very high108 Ų10884 Ų8470%0.70139%0.388SS*.PPolyproline II helixtrans-59.7139.8169.326.8-33.6000109.8
138R89.4Confident92.2Very high92 Ų9290.5 Ų90.535%0.34742%0.418SS..PPolyproline II helixtrans-71.8130.7175.1-63.2174.870.795.3-14.6108.5I27 P28 N34 G36 A37 E136I27-R138 VanDerWaalsContact CG2-NH2 3.26Å; P28-R138 VanDerWaalsContact O-CZ 3.3Å; P28-R138 PolarHBondContact O-NH1 2.98Å; P28-R138 PolarHBondContact O-NH2 3.25Å; N34-R138 WeakPolarHBondContact O-CD 3.36Å; N34-R138 VanDerWaalsContact O-CZ 3.25Å; N34-R138 PolarHBondContact O-NE 3.22Å; N34-R138 PolarHBondContact O-NH1 3.15Å; N34-R138 VanDerWaalsContact O-NH1 3.12Å; G36-R138 VanDerWaalsContact C-CG 3.48Å; G36-R138 WeakPolarHBondContact O-CG 3.33Å; G36-R138 PolarHBondContact O-NH1 2.81Å; A37-R138 HydrophobicContact CB-CG 4.34Å; E136-R138 PolarHBondContact O-N 3.05Å
139P82Confident91.8Very high42 Ų4294.3 Ų94.327%0.27344%0.436SS..PPolyproline II helixtrans-66.6141.217327.2-33.7000110L25 I27L25-P139 HydrophobicContact CD2-CG 3.99Å; I27-P139 HydrophobicContact CD1-CG 3.48Å; I27-P139 VanDerWaalsContact CD1-CG 3.48Å
140E67.2Low91.3Very high245 Ų24593.1 Ų93.1100%1.14543%0.43SS*.  trans-61.40-178.5-61.4-172.5172.300113.5R10R10-E140 PolarHBondContact NH1-O 3.16Å

Retrieved 140 of 140 residues in 41.3 ms (Link to these results)

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