A0A087XCN3_POEFO Loading...

Leucine rich repeat containing 9

AlphaFold DB , UniProt , Accession A0A087XCN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,012 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
1V47Very low54.9Low155 Ų155105.7 Ų105.794%0.93951%0.514SS*.  0-60.80-171.60000111.2A3 W4 Y5V1-A3 PolarHBondContact O-N 3.24Å; V1-W4 CarbonylContact O-C 3.58Å; V1-W4 WeakPolarHBondContact O-CB 3.36Å; V1-W4 PolarHBondContact O-N 3Å; V1-W4 VanDerWaalsContact O-N 3.12Å; V1-Y5 WeakPolarHBondContact O-CB 3.49Å; V1-Y5 PolarHBondContact O-N 2.62Å
2Q46.9Very low55.7Low144 Ų144100.8 Ų100.867%0.67350%0.503SS*.Hα-helixtrans-63.7-43.5-179.1-169.5156.7-1400114.1W4 Y5 E6Q2-W4 VanDerWaalsContact C-N 3.26Å; Q2-W4 PolarHBondContact O-N 3Å; Q2-Y5 PolarHBondContact O-N 3.37Å; Q2-E6 WeakPolarHBondContact O-CB 3.32Å; Q2-E6 WeakPolarHBondContact O-CG 3.37Å; Q2-E6 PolarHBondContact O-N 3.1Å
3A45.1Very low56.8Low50 Ų5099.4 Ų99.441%0.41350%0.503SS..Hα-helixtrans-61.8-33.3172.300000113.1V1 E7V1-A3 PolarHBondContact O-N 3.24Å; A3-E7 VanDerWaalsContact O-CB 3.28Å; A3-E7 WeakPolarHBondContact O-CB 3.18Å; A3-E7 PolarHBondContact O-N 2.99Å
4W49.7Very low57.4Low149 Ų149101.4 Ų101.456%0.56451%0.507SS*.Hα-helixtrans-74-38.2177-179.569.1000111.7V1 Q2 E7 E8V1-W4 CarbonylContact O-C 3.58Å; V1-W4 WeakPolarHBondContact O-CB 3.36Å; V1-W4 PolarHBondContact O-N 3Å; V1-W4 VanDerWaalsContact O-N 3.12Å; Q2-W4 VanDerWaalsContact C-N 3.26Å; Q2-W4 PolarHBondContact O-N 3Å; W4-E7 PolarHBondContact O-N 3.14Å; W4-E8 HydrophobicContact CZ2-CG 4.19Å; W4-E8 PolarHBondContact O-N 2.79Å
5Y56.3Low57.9Low147 Ų14798.7 Ų98.758%0.57649%0.492SS*.Hα-helixtrans-64.8-43.9172.5177.6-98.9000111.7V1 Q2 E7 E8 M9V1-Y5 WeakPolarHBondContact O-CB 3.49Å; V1-Y5 PolarHBondContact O-N 2.62Å; Q2-Y5 PolarHBondContact O-N 3.37Å; Y5-E7 VanDerWaalsContact C-N 3.3Å; Y5-E7 PolarHBondContact O-N 3.29Å; Y5-E8 PolarHBondContact O-N 2.78Å; Y5-M9 VanDerWaalsContact O-CB 3.27Å; Y5-M9 WeakPolarHBondContact O-CB 3.43Å; Y5-M9 PolarHBondContact O-N 3.33Å
6E58Low58.8Low101 Ų10197.8 Ų97.847%0.47249%0.493SS..Hα-helixtrans-63-37.6175.1-74.1169.9-172.600111.7Q2 M9 I10Q2-E6 WeakPolarHBondContact O-CB 3.32Å; Q2-E6 WeakPolarHBondContact O-CG 3.37Å; Q2-E6 PolarHBondContact O-N 3.1Å; E6-M9 PolarHBondContact O-N 3.36Å; E6-I10 WeakPolarHBondContact O-CB 3.35Å; E6-I10 WeakPolarHBondContact O-CD1 3.45Å; E6-I10 VanDerWaalsContact O-CG1 3.22Å; E6-I10 WeakPolarHBondContact O-CG1 3.49Å; E6-I10 PolarHBondContact O-N 3.23Å
7E55.6Low59.7Low72 Ų72100.4 Ų100.434%0.33650%0.501SS..Hα-helixtrans-66.4-48.5175.4-169.7171.2-154.700112.1A3 W4 Y5 M9 I10 Q11A3-E7 VanDerWaalsContact O-CB 3.28Å; A3-E7 WeakPolarHBondContact O-CB 3.18Å; A3-E7 PolarHBondContact O-N 2.99Å; W4-E7 PolarHBondContact O-N 3.14Å; Y5-E7 VanDerWaalsContact C-N 3.3Å; Y5-E7 PolarHBondContact O-N 3.29Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.38Å; E7-I10 PolarHBondContact O-N 3.06Å; E7-Q11 VanDerWaalsContact O-CB 3.3Å; E7-Q11 WeakPolarHBondContact O-CB 3.37Å; E7-Q11 PolarHBondContact O-N 2.99Å
8E58.6Low60.3Low97 Ų9798.2 Ų98.245%0.45349%0.486SS..Hα-helixtrans-63.1-37173.9-76.5-140147.100112W4 Y5 Q11 A12W4-E8 HydrophobicContact CZ2-CG 4.19Å; W4-E8 PolarHBondContact O-N 2.79Å; Y5-E8 PolarHBondContact O-N 2.78Å; E8-Q11 PolarHBondContact O-N 3.36Å; E8-A12 WeakPolarHBondContact O-CB 3.01Å; E8-A12 PolarHBondContact O-N 3.09Å
9M61Low61.1Low103 Ų10396.6 Ų96.651%0.50748%0.479SS..Hα-helixtrans-66.6-48.4178.8-150.2-160.289.300110.6Y5 E6 E7 Q11 A12 T13Y5-M9 VanDerWaalsContact O-CB 3.27Å; Y5-M9 WeakPolarHBondContact O-CB 3.43Å; Y5-M9 PolarHBondContact O-N 3.33Å; E6-M9 PolarHBondContact O-N 3.36Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.38Å; M9-Q11 VanDerWaalsContact C-N 3.25Å; M9-Q11 PolarHBondContact O-N 3.15Å; M9-A12 PolarHBondContact O-N 3.47Å; M9-T13 PolarHBondContact O-N 3.17Å; M9-T13 PolarHBondContact O-OG1 2.78Å
10I65.5Low62Low83 Ų8395.4 Ų95.443%0.42648%0.477SS..Hα-helixtrans-59.6-39.5175.8-69.5165.2000110.8E6 E7 T13 K14E6-I10 WeakPolarHBondContact O-CB 3.35Å; E6-I10 WeakPolarHBondContact O-CD1 3.45Å; E6-I10 VanDerWaalsContact O-CG1 3.22Å; E6-I10 WeakPolarHBondContact O-CG1 3.49Å; E6-I10 PolarHBondContact O-N 3.23Å; E7-I10 PolarHBondContact O-N 3.06Å; I10-T13 PolarHBondContact O-N 2.96Å; I10-K14 HydrophobicContact CG2-CD 4.49Å; I10-K14 WeakPolarHBondContact O-CG 3.37Å; I10-K14 PolarHBondContact O-N 3.26Å
11Q60.2Low62.7Low62 Ų6293 Ų9329%0.2947%0.465SS..Hα-helixtrans-64.8-45.2176.9-169178.213.100111.2E7 E8 M9 T13 K14 Q15E7-Q11 VanDerWaalsContact O-CB 3.3Å; E7-Q11 WeakPolarHBondContact O-CB 3.37Å; E7-Q11 PolarHBondContact O-N 2.99Å; E8-Q11 PolarHBondContact O-N 3.36Å; M9-Q11 VanDerWaalsContact C-N 3.25Å; M9-Q11 PolarHBondContact O-N 3.15Å; Q11-T13 VanDerWaalsContact C-N 3.35Å; Q11-T13 PolarHBondContact O-N 3.2Å; Q11-K14 PolarHBondContact O-N 3.44Å; Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 3.07Å
12A65.1Low64.3Low46 Ų4686.1 Ų86.138%0.3842%0.422SS..Hα-helixtrans-62-39.8174.900000111.8E8 M9 Q15 T16E8-A12 WeakPolarHBondContact O-CB 3.01Å; E8-A12 PolarHBondContact O-N 3.09Å; M9-A12 PolarHBondContact O-N 3.47Å; A12-Q15 PolarHBondContact O-N 3.13Å; A12-T16 WeakPolarHBondContact O-CB 3.42Å; A12-T16 PolarHBondContact O-N 3.34Å; A12-T16 PolarHBondContact O-OG1 3.5Å
13T69.3Low65.8Low83 Ų8384 Ų8451%0.50942%0.415SS..Hα-helixtrans-66.7-42.5177.3-28.50000112M9 I10 Q11 T16 K17M9-T13 PolarHBondContact O-N 3.17Å; M9-T13 PolarHBondContact O-OG1 2.78Å; I10-T13 PolarHBondContact O-N 2.96Å; Q11-T13 VanDerWaalsContact C-N 3.35Å; Q11-T13 PolarHBondContact O-N 3.2Å; T13-T16 PolarHBondContact O-N 3.05Å; T13-K17 PolarHBondContact O-N 3.33Å
14K65.4Low67.2Low127 Ų12785.5 Ų85.555%0.55242%0.416SS*.Hα-helixtrans-62.1-43.8174.4-76.2-177.6-179.8-178.70111.1I10 Q11 K17 Y18I10-K14 HydrophobicContact CG2-CD 4.49Å; I10-K14 WeakPolarHBondContact O-CG 3.37Å; I10-K14 PolarHBondContact O-N 3.26Å; Q11-K14 PolarHBondContact O-N 3.44Å; K14-K17 WeakPolarHBondContact O-CB 3.38Å; K14-K17 PolarHBondContact O-N 3.44Å; K14-Y18 WeakPolarHBondContact O-CD2 3.34Å; K14-Y18 PolarHBondContact O-N 3.34Å
15Q65.1Low68.3Low62 Ų6278.8 Ų78.829%0.2939%0.391SS..Hα-helixtrans-63.8-41.8177.2-72.7175.410.800112.3Q11 A12 K17 Y18 L19Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 WeakPolarHBondContact O-CG 3.48Å; Q11-Q15 PolarHBondContact O-N 3.07Å; A12-Q15 PolarHBondContact O-N 3.13Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.24Å; Q15-Y18 PolarHBondContact O-N 2.88Å; Q15-L19 PolarHBondContact O-N 3.12Å; Q15-L19 VanDerWaalsContact O-N 3.16Å
16T71.8Confident69.4Low83 Ų8374.6 Ų74.651%0.50938%0.376SS..Hα-helixtrans-62.9-38.6177.3-540000111A12 T13 Y18 L19 V20A12-T16 WeakPolarHBondContact O-CB 3.42Å; A12-T16 PolarHBondContact O-N 3.34Å; A12-T16 PolarHBondContact O-OG1 3.5Å; T13-T16 PolarHBondContact O-N 3.05Å; T16-Y18 VanDerWaalsContact C-N 3.35Å; T16-Y18 PolarHBondContact O-N 3.07Å; T16-L19 PolarHBondContact O-N 2.64Å; T16-V20 HydrophobicContact CG2-CG2 4.42Å; T16-V20 VanDerWaalsContact O-CG2 3.27Å; T16-V20 WeakPolarHBondContact O-CG2 3.47Å; T16-V20 PolarHBondContact O-N 3.13Å
17K74.4Confident69.9Low143 Ų14376.1 Ų76.162%0.62239%0.387SS*.Hα-helixtrans-61.3-40.5177.2-167.8-179.6178.3-173.90112.6T13 K14 Q15 Q21T13-K17 PolarHBondContact O-N 3.33Å; K14-K17 WeakPolarHBondContact O-CB 3.38Å; K14-K17 PolarHBondContact O-N 3.44Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.24Å; K17-Q21 WeakPolarHBondContact O-CG 3.46Å; K17-Q21 PolarHBondContact O-N 3.05Å; K17-Q21 VanDerWaalsContact O-N 3.15Å
18Y70.1Confident70.6Confident60 Ų6079.3 Ų79.324%0.23540%0.402CS..Hα-helixtrans-65.1-44.4175.1-89.7-82.6000112.3K14 Q15 T16 V20 Q21 F22 T126K14-Y18 WeakPolarHBondContact O-CD2 3.34Å; K14-Y18 PolarHBondContact O-N 3.34Å; Q15-Y18 PolarHBondContact O-N 2.88Å; T16-Y18 VanDerWaalsContact C-N 3.35Å; T16-Y18 PolarHBondContact O-N 3.07Å; Y18-V20 VanDerWaalsContact C-N 3.32Å; Y18-V20 PolarHBondContact O-N 2.77Å; Y18-Q21 PolarHBondContact O-N 3.02Å; Y18-Q21 VanDerWaalsContact O-N 3.16Å; Y18-F22 PolarHBondContact O-N 3.13Å; Y18-T126 HydrophobicContact CE1-CG2 3.6Å; Y18-T126 HydrophobicContact CE2-CG2 4.18Å; Y18-T126 WeakPolarHBondContact OH-CG2 3.23Å
19L75.6Confident70.9Confident68 Ų6875.8 Ų75.836%0.35639%0.388SS..Hα-helixtrans-63-40.6178.7-162.479.4000111.5Q15 T16 Q21 F22 L23 F77Q15-L19 PolarHBondContact O-N 3.12Å; Q15-L19 VanDerWaalsContact O-N 3.16Å; T16-L19 PolarHBondContact O-N 2.64Å; L19-Q21 VanDerWaalsContact C-N 3.31Å; L19-Q21 PolarHBondContact O-N 3.28Å; L19-F22 PolarHBondContact O-N 2.93Å; L19-L23 HydrophobicContact CG-CD1 4.48Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.63Å; L19-F77 HydrophobicContact CD1-CE1 4.31Å
20V79.5Confident71.2Confident72 Ų7276.9 Ų76.944%0.43640%0.4SS..Hα-helixtrans-60.4-41.2174.6170.50000111.1T16 Y18 L23 L24T16-V20 HydrophobicContact CG2-CG2 4.42Å; T16-V20 VanDerWaalsContact O-CG2 3.27Å; T16-V20 WeakPolarHBondContact O-CG2 3.47Å; T16-V20 PolarHBondContact O-N 3.13Å; Y18-V20 VanDerWaalsContact C-N 3.32Å; Y18-V20 PolarHBondContact O-N 2.77Å; V20-L23 PolarHBondContact O-N 3.34Å; V20-L24 HydrophobicContact CG1-CD1 4.13Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.98Å
21Q77Confident71.2Confident47 Ų4775.3 Ų75.322%0.2240%0.404CS..Hα-helixtrans-65.1-42.3176.6-72.7175.6-32.700112.2K17 Y18 L19 L23 L24 V25 L130K17-Q21 WeakPolarHBondContact O-CG 3.46Å; K17-Q21 PolarHBondContact O-N 3.05Å; K17-Q21 VanDerWaalsContact O-N 3.15Å; Y18-Q21 PolarHBondContact O-N 3.02Å; Y18-Q21 VanDerWaalsContact O-N 3.16Å; L19-Q21 VanDerWaalsContact C-N 3.31Å; L19-Q21 PolarHBondContact O-N 3.28Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.36Å; Q21-L24 WeakPolarHBondContact O-CB 3.1Å; Q21-L24 PolarHBondContact O-N 3.4Å; Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 2.67Å; Q21-L130 HydrophobicContact CB-CD1 4.19Å; Q21-L130 HydrophobicContact CB-CD2 4.1Å; Q21-L130 HydrophobicContact CG-CD1 4.38Å
22F80.7Confident71.7Confident10 Ų1076.7 Ų76.74%0.04441%0.414CS..Hα-helixtrans-64-38.7174.9-65.4-27.7000113Y18 L19 L24 V25 E26 V35 F77 L130 L133 I257Y18-F22 PolarHBondContact O-N 3.13Å; L19-F22 PolarHBondContact O-N 2.93Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.33Å; F22-V25 PolarHBondContact O-N 3.45Å; F22-E26 PolarHBondContact O-N 3.12Å; F22-V35 HydrophobicContact CB-CB 4.48Å; F22-V35 HydrophobicContact CB-CG2 4.41Å; F22-V35 HydrophobicContact CD2-CG1 4.17Å; F22-V35 HydrophobicContact CG-CG1 4.5Å; F22-V35 HydrophobicContact CG-CG2 4.47Å; F22-F77 HydrophobicContact CE2-CD2 4.41Å; F22-F77 HydrophobicContact CE2-CG 4.47Å; F22-L130 HydrophobicContact CD1-CD2 4.07Å; F22-L130 HydrophobicContact CE1-CD2 4.2Å; F22-L133 HydrophobicContact CD1-CD1 3.93Å; F22-L133 HydrophobicContact CE1-CD1 3.59Å; F22-I257 HydrophobicContact CE1-CD1 4.4Å; F22-I257 HydrophobicContact CZ-CD1 3.94Å
23L77.2Confident72.3Confident99 Ų9974.8 Ų74.852%0.51840%0.398SS..Hα-helixtrans-65.5-35.5174.6-71169.6000112.2L19 V20 Q21 E26 L27L19-L23 HydrophobicContact CG-CD1 4.48Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.63Å; V20-L23 PolarHBondContact O-N 3.34Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.36Å; L23-E26 PolarHBondContact O-N 3.06Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 PolarHBondContact O-N 3.41Å
24L76.2Confident72.8Confident82 Ų8277.6 Ų77.643%0.42940%0.399SS..Hα-helixtrans-64.8-43.8173.1-73.2168.7000111.1V20 Q21 F22 E26 L27 E28V20-L24 HydrophobicContact CG1-CD1 4.13Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.98Å; Q21-L24 WeakPolarHBondContact O-CB 3.1Å; Q21-L24 PolarHBondContact O-N 3.4Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.33Å; L24-E26 PolarHBondContact O-N 3.01Å; L24-L27 WeakPolarHBondContact O-CB 3.41Å; L24-L27 PolarHBondContact O-N 3.15Å; L24-E28 WeakPolarHBondContact O-CB 3.44Å; L24-E28 WeakPolarHBondContact O-CG 3.18Å; L24-E28 PolarHBondContact O-N 3.07Å
25V72.8Confident73.6Confident7 Ų772.7 Ų72.74%0.04238%0.379CS..Hα-helixtrans-62.8-40.7175.4175.10000111.9Q21 F22 L27 E28 S29 V33 L130 E134Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 2.67Å; F22-V25 PolarHBondContact O-N 3.45Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.28Å; V25-E28 PolarHBondContact O-N 2.83Å; V25-S29 WeakPolarHBondContact O-CB 3.3Å; V25-S29 PolarHBondContact O-N 2.97Å; V25-S29 PolarHBondContact O-OG 3.15Å; V25-V33 HydrophobicContact CG1-CB 4.25Å; V25-V33 HydrophobicContact CG1-CG1 4.16Å; V25-L130 HydrophobicContact CG2-CD2 3.79Å; V25-E134 HydrophobicContact CG1-CG 3.98Å; V25-E134 HydrophobicContact CG2-CG 4.5Å; V25-E134 WeakPolarHBondContact CG2-OE1 3.48Å
26E77.5Confident74.5Confident59 Ų5973.4 Ų73.428%0.27638%0.383SS..Hα-helixtrans-63.5-38175.9-177.6167.3-176.300111.8F22 L23 L24 S29 V30 G31 V33F22-E26 PolarHBondContact O-N 3.12Å; L23-E26 PolarHBondContact O-N 3.06Å; L24-E26 PolarHBondContact O-N 3.01Å; E26-S29 PolarHBondContact O-OG 3.01Å; E26-V30 PolarHBondContact O-N 2.84Å; E26-G31 PolarHBondContact O-N 3.01Å; E26-G31 VanDerWaalsContact O-N 3.08Å; E26-V33 WeakPolarHBondContact CA-O 3.36Å; E26-V33 WeakPolarHBondContact CG-O 3.46Å
27L70.2Confident75.1Confident133 Ų13373.4 Ų73.470%0.69638%0.377SS*.Hα-helixtrans-70.2-47.9176.1-172.171.6000112.2L23 L24 V25 S29 V30L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 PolarHBondContact O-N 3.41Å; L24-L27 WeakPolarHBondContact O-CB 3.41Å; L24-L27 PolarHBondContact O-N 3.15Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.28Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 3.13Å
28E70Confident75Confident140 Ų14067 Ų6765%0.65435%0.351SS*.Hα-helixtrans-66.4-35.1-179.4-73.8179.8-178.100111.9L24 V25 V30L24-E28 WeakPolarHBondContact O-CB 3.44Å; L24-E28 WeakPolarHBondContact O-CG 3.18Å; L24-E28 PolarHBondContact O-N 3.07Å; V25-E28 PolarHBondContact O-N 2.83Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.44Å
29S63.4Low75Confident23 Ų2366.4 Ų66.416%0.16136%0.355CS..THydrogen-bonded Turntrans-80.4-1.317670.20000114.1V25 E26 L27 G31 N32 V33V25-S29 WeakPolarHBondContact O-CB 3.3Å; V25-S29 PolarHBondContact O-N 2.97Å; V25-S29 PolarHBondContact O-OG 3.15Å; E26-S29 PolarHBondContact O-OG 3.01Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.42Å; S29-G31 PolarHBondContact O-N 2.62Å; S29-N32 WeakPolarHBondContact O-CB 3.38Å; S29-N32 PolarHBondContact O-N 3.29Å; S29-N32 VanDerWaalsContact O-N 3.08Å; S29-N32 PolarHBondContact O-ND2 3.02Å; S29-V33 PolarHBondContact OG-N 3.37Å; S29-V33 VanDerWaalsContact OG-N 3.12Å; S29-V33 PolarHBondContact OG-O 3.02Å
30V68.1Low74.2Confident126 Ų12667.6 Ų67.676%0.76437%0.367SS*.THydrogen-bonded Turntrans53.739.6-179.2-161.90000111.6E26 L27 E28 N32E26-V30 PolarHBondContact O-N 2.84Å; L27-V30 PolarHBondContact O-N 3.13Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.44Å; V30-N32 PolarHBondContact O-N 3.48Å
31G66.1Low73.1Confident49 Ų4972 Ų7251%0.50539%0.387SS..THydrogen-bonded Turntrans79.17.918000000115.9E26 S29 V33E26-G31 PolarHBondContact O-N 3.01Å; E26-G31 VanDerWaalsContact O-N 3.08Å; S29-G31 PolarHBondContact O-N 2.62Å; G31-V33 VanDerWaalsContact C-N 3.32Å
32N70.6Confident71.9Confident91 Ų9174.9 Ų74.949%0.48740%0.404SS..SBendtrans-71.7-28.4170.7-72.4-51.7000112.7S29 V30 S82S29-N32 WeakPolarHBondContact O-CB 3.38Å; S29-N32 PolarHBondContact O-N 3.29Å; S29-N32 VanDerWaalsContact O-N 3.08Å; S29-N32 PolarHBondContact O-ND2 3.02Å; V30-N32 PolarHBondContact O-N 3.48Å; N32-S82 PolarHBondContact O-N 2.84Å; N32-S82 VanDerWaalsContact O-N 3.15Å; N32-S82 PolarHBondContact O-OG 3.21Å
33V76.6Confident70Confident7 Ų780.1 Ų80.14%0.04244%0.442CS..EExtended strand (participates in β ladder)trans-114.8121.2171-173.50000108.1V25 E26 S29 G31 H80 N81V25-V33 HydrophobicContact CG1-CB 4.25Å; V25-V33 HydrophobicContact CG1-CG1 4.16Å; E26-V33 WeakPolarHBondContact CA-O 3.36Å; E26-V33 WeakPolarHBondContact CG-O 3.46Å; S29-V33 PolarHBondContact OG-N 3.37Å; S29-V33 VanDerWaalsContact OG-N 3.12Å; S29-V33 PolarHBondContact OG-O 3.02Å; G31-V33 VanDerWaalsContact C-N 3.32Å; V33-H80 CarbonylContact C-O 3.59Å; V33-H80 WeakPolarHBondContact CA-O 3.43Å; V33-N81 HydrophobicContact CG2-CB 4.36Å; V33-N81 WeakPolarHBondContact CG2-ND2 3.31Å
34R81.3Confident68.8Low142 Ų14284.3 Ų84.354%0.53645%0.451SS..EExtended strand (participates in β ladder)trans-127.7132.1176178.4174.5-176-157.8-3110.4H80R34-H80 HydrophobicContact CB-CB 4.19Å; R34-H80 PolarHBondContact N-O 3.39Å; R34-H80 WeakPolarHBondContact O-CB 3.35Å; R34-H80 PolarHBondContact O-N 2.93Å
35V82.2Confident68.1Low23 Ų2389.1 Ų89.114%0.13947%0.465CS..EExtended strand (participates in β ladder)trans-113.7121.9-179.2-174.50000109.2F22 F77 R78F22-V35 HydrophobicContact CB-CB 4.48Å; F22-V35 HydrophobicContact CB-CG2 4.41Å; F22-V35 HydrophobicContact CD2-CG1 4.17Å; F22-V35 HydrophobicContact CG-CG1 4.5Å; F22-V35 HydrophobicContact CG-CG2 4.47Å; V35-F77 HydrophobicContact CG1-CB 3.75Å; V35-F77 HydrophobicContact CG1-CD1 4.02Å; V35-F77 HydrophobicContact CG1-CG 4.19Å; V35-R78 WeakPolarHBondContact CA-O 3.24Å
36E84.1Confident67.8Low78 Ų7890.4 Ų90.436%0.36447%0.469SS..EExtended strand (participates in β ladder)trans-111.5123.7-178.1-176.2179.1-169.600110.5F77 R78 H80E36-F77 CarbonylContact O-C 3.49Å; E36-F77 WeakPolarHBondContact O-CA 3.39Å; E36-R78 HydrophobicContact CB-CB 4.44Å; E36-R78 PolarHBondContact N-O 3.11Å; E36-R78 PolarHBondContact O-N 3.29Å; E36-H80 IonicContact OE2-CE1 3.81Å; E36-H80 PolarHBondContact OE2-CE1 3.16Å
37E82.7Confident67.8Low83 Ų8389 Ų8939%0.38846%0.461SS..EExtended strand (participates in β ladder)trans-81.4128.1174.9-172.9170.4-167.300110.6R75 F77E37-R75 WeakPolarHBondContact OE1-CD 3.43Å; E37-R75 WeakPolarHBondContact OE1-CG 3.43Å; E37-R75 IonicContact OE1-CZ 2.72Å; E37-R75 IonicContact OE1-NE 3.77Å; E37-R75 PolarHBondContact OE1-NE 3.24Å; E37-R75 IonicContact OE1-NH1 3.66Å; E37-R75 PolarHBondContact OE1-NH1 3.48Å; E37-R75 IonicContact OE2-NH1 3.53Å; E37-R75 PolarHBondContact OE2-NH1 3.02Å; E37-F77 HydrophobicContact CB-CD1 3.87Å; E37-F77 HydrophobicContact CB-CE1 3.75Å; E37-F77 HydrophobicContact CG-CD1 4.14Å; E37-F77 HydrophobicContact CG-CE1 3.74Å; E37-F77 HydrophobicContact CG-CZ 4.39Å
38G73.4Confident67.8Low8 Ų884.9 Ų84.98%0.08245%0.447CS..PPolyproline II helixtrans-78.6135.2179.100000112.6V76G38-V76 PolarHBondContact N-O 3.32Å
39C69.7Low68.2Low48 Ų4881.6 Ų81.632%0.32444%0.439SS..PPolyproline II helixtrans-89.3130175-166.60000111.4L41 D42C39-L41 PolarHBondContact O-N 3.42Å; C39-D42 HydrophobicContact CB-CB 4Å; C39-D42 VanDerWaalsContact CB-OD2 3.3Å; C39-D42 WeakPolarHBondContact CB-OD2 3.46Å; C39-D42 PolarHBondContact O-N 2.91Å
40P58.8Low68.7Low93 Ų9380.9 Ų80.960%0.60443%0.434SS*.THydrogen-bonded Turntrans-64-18.6174.8-21.432.1000114.7Y47P40-Y47 HydrophobicContact CB-CE1 4.24Å
41L57.5Low69.1Low164 Ų16480.8 Ų80.886%0.85942%0.42SS*.THydrogen-bonded Turntrans-94.8-12.9-179.1-74.3149000113C39C39-L41 PolarHBondContact O-N 3.42Å
42D51.1Low69.7Low108 Ų10883 Ų8358%0.57842%0.42SS*.  trans-79.6125177.9-83.4-30.6000110.3C39 W44C39-D42 HydrophobicContact CB-CB 4Å; C39-D42 VanDerWaalsContact CB-OD2 3.3Å; C39-D42 WeakPolarHBondContact CB-OD2 3.46Å; C39-D42 PolarHBondContact O-N 2.91Å; D42-W44 PolarHBondContact O-N 3.49Å
43S41.3Very low70.2Confident119 Ų11980.8 Ų80.883%0.83241%0.408SS*.  trans-70.815.1177.7-1590000113.6Y45S43-Y45 PolarHBondContact O-N 3.13Å
44W51.8Low70.4Confident187 Ų18780.5 Ų80.571%0.70841%0.406SS*.  trans-79.7118.5-178.6-150.4-49.5000110D42 W46D42-W44 PolarHBondContact O-N 3.49Å; W44-W46 AromaticContact CD1-CD1 3.4Å; W44-W46 AromaticContact CD1-NE1 3.98Å; W44-W46 AromaticContact CG-CD1 3.86Å; W44-W46 PolarHBondContact O-N 3.01Å
45Y60.4Low70.3Confident184 Ų18476.5 Ų76.572%0.72240%0.395SS*.Hα-helixtrans-48.1-24.7-167.7-76-96.2000117.1S43 S49S43-Y45 PolarHBondContact O-N 3.13Å; Y45-S49 WeakPolarHBondContact O-CB 3.49Å; Y45-S49 PolarHBondContact O-N 3.5Å; Y45-S49 PolarHBondContact O-OG 2.87Å
46W67.6Low70Confident33 Ų3379.2 Ų79.213%0.12542%0.415CS..Hα-helixtrans-74.7-37.2-171.367.5-95.7000114.5W44 S49 C50 V76 R78 Y256W44-W46 AromaticContact CD1-CD1 3.4Å; W44-W46 AromaticContact CD1-NE1 3.98Å; W44-W46 AromaticContact CG-CD1 3.86Å; W44-W46 PolarHBondContact O-N 3.01Å; W46-S49 PolarHBondContact O-N 3.47Å; W46-C50 PolarHBondContact O-N 2.97Å; W46-C50 PolarHBondContact O-SG 3.45Å; W46-C50 VanDerWaalsContact O-SG 3.32Å; W46-V76 HydrophobicContact CZ3-CG1 3.92Å; W46-R78 HydrophobicContact CE3-CB 4.46Å; W46-R78 HydrophobicContact CH2-CB 3.9Å; W46-R78 HydrophobicContact CZ2-CB 4.47Å; W46-R78 HydrophobicContact CZ3-CB 3.91Å; W46-Y256 HydrophobicContact CE3-CD1 4.24Å; W46-Y256 AromaticContact CE3-CE1 3.9Å; W46-Y256 HydrophobicContact CE3-CE1 3.9Å; W46-Y256 HydrophobicContact CZ3-CD1 4.39Å; W46-Y256 HydrophobicContact CZ3-CE1 4.42Å
47Y76.3Confident69.6Low30 Ų3079.6 Ų79.612%0.11841%0.413CS..Hα-helixtrans-62.8-45.8176.6177.6-92.9000110.8P40 C50 R51 V76P40-Y47 HydrophobicContact CB-CE1 4.24Å; Y47-C50 PolarHBondContact O-N 3.28Å; Y47-R51 WeakPolarHBondContact O-CB 3.42Å; Y47-R51 PolarHBondContact O-N 2.9Å; Y47-V76 HydrophobicContact CD2-CB 3.85Å; Y47-V76 HydrophobicContact CD2-CG2 3.83Å; Y47-V76 HydrophobicContact CE2-CB 3.91Å; Y47-V76 HydrophobicContact CE2-CG2 3.56Å
48A71.6Confident69.4Low47 Ų4776.6 Ų76.639%0.38840%0.399SS..Hα-helixtrans-62.9-40.4175.100000111.9R51 N52A48-R51 PolarHBondContact O-N 3.35Å; A48-N52 VanDerWaalsContact O-CB 3.29Å; A48-N52 WeakPolarHBondContact O-CB 3.44Å; A48-N52 PolarHBondContact O-N 3.42Å; A48-N52 PolarHBondContact O-ND2 3.26Å
49S76.7Confident69.5Low71 Ų7178.2 Ų78.250%0.49741%0.409SS..Hα-helixtrans-63.5-44.5175.2-67.50000113Y45 W46 N52 L53Y45-S49 WeakPolarHBondContact O-CB 3.49Å; Y45-S49 PolarHBondContact O-N 3.5Å; Y45-S49 PolarHBondContact O-OG 2.87Å; W46-S49 PolarHBondContact O-N 3.47Å; S49-N52 PolarHBondContact O-N 2.99Å; S49-L53 VanDerWaalsContact O-CB 3.26Å; S49-L53 WeakPolarHBondContact O-CB 3.38Å; S49-L53 PolarHBondContact O-N 2.88Å
50C75.3Confident69.6Low7 Ų779 Ų795%0.04741%0.414CS..Hα-helixtrans-65.2-40.9176.6-680000111.8W46 Y47 L53 L54 V76 Y256 I258W46-C50 PolarHBondContact O-N 2.97Å; W46-C50 PolarHBondContact O-SG 3.45Å; W46-C50 VanDerWaalsContact O-SG 3.32Å; Y47-C50 PolarHBondContact O-N 3.28Å; C50-L53 PolarHBondContact O-N 3.21Å; C50-L54 PolarHBondContact O-N 2.77Å; C50-V76 HydrophobicContact CB-CG1 4.21Å; C50-Y256 VanDerWaalsContact SG-CD1 3.57Å; C50-I258 HydrophobicContact CB-CD1 4.17Å
51R76.8Confident70Confident124 Ų12477.8 Ų77.847%0.46841%0.408SS..Hα-helixtrans-60.9-49173.9167.8163.1-177.2-115-0.7111.7Y47 A48 L53 L54 L55 I73Y47-R51 WeakPolarHBondContact O-CB 3.42Å; Y47-R51 PolarHBondContact O-N 2.9Å; A48-R51 PolarHBondContact O-N 3.35Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 2.89Å; R51-L54 PolarHBondContact O-N 2.88Å; R51-L55 HydrophobicContact CG-CD1 3.85Å; R51-L55 WeakPolarHBondContact O-CB 3.08Å; R51-L55 VanDerWaalsContact O-CG 3.28Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 3.16Å; R51-I73 HydrophobicContact CB-CD1 3.84Å; R51-I73 HydrophobicContact CG-CD1 3.78Å
52N77.8Confident70.5Confident97 Ų9771.7 Ų71.752%0.51938%0.376SS..Hα-helixtrans-65.8-36.3178-70.3-17.6000111.7A48 S49 L55 S56A48-N52 VanDerWaalsContact O-CB 3.29Å; A48-N52 WeakPolarHBondContact O-CB 3.44Å; A48-N52 PolarHBondContact O-N 3.42Å; A48-N52 PolarHBondContact O-ND2 3.26Å; S49-N52 PolarHBondContact O-N 2.99Å; N52-L55 PolarHBondContact O-N 2.98Å; N52-S56 WeakPolarHBondContact O-CB 3.45Å; N52-S56 PolarHBondContact O-N 2.86Å; N52-S56 PolarHBondContact O-OG 3.06Å
53L81.2Confident71.6Confident44 Ų4466.7 Ų66.723%0.2335%0.349CS..Hα-helixtrans-60.8-50175.5-17865.6000110.9S49 C50 R51 S56 R57 F116 V194S49-L53 VanDerWaalsContact O-CB 3.26Å; S49-L53 WeakPolarHBondContact O-CB 3.38Å; S49-L53 PolarHBondContact O-N 2.88Å; C50-L53 PolarHBondContact O-N 3.21Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 2.89Å; L53-S56 PolarHBondContact O-N 2.91Å; L53-S56 PolarHBondContact O-OG 2.77Å; L53-R57 WeakPolarHBondContact O-CG 3.44Å; L53-R57 PolarHBondContact O-N 3.24Å; L53-F116 HydrophobicContact CD2-CE1 4.23Å; L53-F116 HydrophobicContact CG-CE1 4.32Å; L53-F116 HydrophobicContact CG-CZ 4.3Å; L53-V194 HydrophobicContact CD2-CG1 4.06Å
54L80.2Confident72.7Confident0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-63.9-45.1179.1-168.369.5000111.6C50 R51 S56 R57 F58 I71 I73 F116 L158 V192 I258 F260C50-L54 PolarHBondContact O-N 2.77Å; R51-L54 PolarHBondContact O-N 2.88Å; L54-S56 PolarHBondContact O-N 2.97Å; L54-R57 CarbonylContact O-C 3.2Å; L54-R57 PolarHBondContact O-N 3.3Å; L54-R57 VanDerWaalsContact O-N 3.17Å; L54-F58 PolarHBondContact O-N 3.28Å; L54-F58 VanDerWaalsContact O-N 3.11Å; L54-I71 HydrophobicContact CD2-CD1 4.03Å; L54-I73 HydrophobicContact CB-CD1 4.43Å; L54-I73 HydrophobicContact CD2-CD1 4.01Å; L54-I73 HydrophobicContact CD2-CG1 3.95Å; L54-F116 HydrophobicContact CD1-CE2 4.14Å; L54-F116 HydrophobicContact CD1-CZ 4.05Å; L54-L158 HydrophobicContact CD1-CD1 4.12Å; L54-L158 HydrophobicContact CD1-CD2 4.07Å; L54-V192 HydrophobicContact CD1-CG1 4.15Å; L54-I258 HydrophobicContact CD2-CG2 3.95Å; L54-F260 HydrophobicContact CD2-CD1 4.39Å
55L79.3Confident73.3Confident58 Ų5861.4 Ų61.430%0.30434%0.336SS..Hα-helixtrans-64.2-39.2178.5-69.8173000112.2R51 N52 R57 F58 I71R51-L55 HydrophobicContact CG-CD1 3.85Å; R51-L55 WeakPolarHBondContact O-CB 3.08Å; R51-L55 VanDerWaalsContact O-CG 3.28Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 3.16Å; N52-L55 PolarHBondContact O-N 2.98Å; L55-R57 PolarHBondContact O-N 3.08Å; L55-F58 PolarHBondContact O-N 3.4Å; L55-I71 HydrophobicContact CD2-CG2 3.7Å
56S76.8Confident73.6Confident81 Ų8156 Ų5657%0.56632%0.316SS*.Hα-helixtrans-65.2-19.1176.774.50000113.7N52 L53 L54N52-S56 WeakPolarHBondContact O-CB 3.45Å; N52-S56 PolarHBondContact O-N 2.86Å; N52-S56 PolarHBondContact O-OG 3.06Å; L53-S56 PolarHBondContact O-N 2.91Å; L53-S56 PolarHBondContact O-OG 2.77Å; L54-S56 PolarHBondContact O-N 2.97Å
57R75.4Confident73.6Confident86 Ų8662.6 Ų62.633%0.32534%0.341SS..THydrogen-bonded Turntrans-111.88.1-178.3-58.9-54.1-176.1145.1-0.4112.8L53 L54 L55 F116 N156L53-R57 WeakPolarHBondContact O-CG 3.44Å; L53-R57 PolarHBondContact O-N 3.24Å; L54-R57 CarbonylContact O-C 3.2Å; L54-R57 PolarHBondContact O-N 3.3Å; L54-R57 VanDerWaalsContact O-N 3.17Å; L55-R57 PolarHBondContact O-N 3.08Å; R57-F116 HydrophobicContact CB-CE2 3.67Å; R57-F116 HydrophobicContact CB-CZ 4.05Å; R57-F116 HydrophobicContact CG-CE2 4.11Å; R57-F116 HydrophobicContact CG-CZ 4.12Å; R57-N156 WeakPolarHBondContact CB-O 3.16Å; R57-N156 VanDerWaalsContact CD-O 3.26Å; R57-N156 WeakPolarHBondContact CD-O 3.49Å; R57-N156 WeakPolarHBondContact CG-O 3.12Å; R57-N156 PolarHBondContact NH1-ND2 3.05Å
58F78.5Confident73.5Confident19 Ų1961.6 Ų61.68%0.08334%0.338CS..  trans-104.9124.9172.2175.7-100.4000109.4L54 L55 P60 Y63 I68 I71 L158 Y262L54-F58 PolarHBondContact O-N 3.28Å; L54-F58 VanDerWaalsContact O-N 3.11Å; L55-F58 PolarHBondContact O-N 3.4Å; F58-P60 HydrophobicContact CD1-CG 4.49Å; F58-P60 HydrophobicContact CE1-CG 3.96Å; F58-Y63 HydrophobicContact CD2-CD2 4.18Å; F58-Y63 AromaticContact CD2-CE2 3.64Å; F58-Y63 HydrophobicContact CD2-CE2 3.64Å; F58-Y63 AromaticContact CE2-CD2 3.55Å; F58-Y63 HydrophobicContact CE2-CD2 3.55Å; F58-Y63 AromaticContact CE2-CE2 3.42Å; F58-Y63 HydrophobicContact CE2-CE2 3.42Å; F58-Y63 VanDerWaalsContact CE2-CE2 3.42Å; F58-Y63 HydrophobicContact CE2-CG 4.37Å; F58-Y63 HydrophobicContact CZ-CD2 4.22Å; F58-Y63 HydrophobicContact CZ-CE2 4.47Å; F58-I68 HydrophobicContact CZ-CG2 4.15Å; F58-I71 HydrophobicContact CB-CG2 4.47Å; F58-I71 HydrophobicContact CD1-CG2 3.97Å; F58-I71 HydrophobicContact CD2-CB 4.44Å; F58-I71 HydrophobicContact CD2-CG2 4.32Å; F58-I71 HydrophobicContact CE1-CB 4.48Å; F58-I71 HydrophobicContact CE1-CG2 4.26Å; F58-I71 HydrophobicContact CE2-CB 4.33Å; F58-I71 HydrophobicContact CG-CG2 3.99Å; F58-I71 HydrophobicContact CZ-CB 4.34Å; F58-L158 HydrophobicContact CD2-CD2 4.22Å; F58-Y262 HydrophobicContact CE2-CE1 4.17Å
59S76.1Confident73.5Confident43 Ų4361.3 Ų61.330%0.30134%0.336SS..  trans-120.5117.9175.1-173.10000109.4S61 D62S59-S61 PolarHBondContact O-N 2.98Å; S59-S61 VanDerWaalsContact O-N 3.12Å; S59-S61 PolarHBondContact OG-OG 3.01Å; S59-D62 WeakPolarHBondContact O-CB 3.23Å; S59-D62 PolarHBondContact O-N 3.37Å
60P70.9Confident73.5Confident64 Ų6461.6 Ų61.642%0.41633%0.331SS..G310 helixtrans-56.2-29.6178.3-26.133.5000113.5F58 D62 Y63 T64F58-P60 HydrophobicContact CD1-CG 4.49Å; F58-P60 HydrophobicContact CE1-CG 3.96Å; P60-D62 PolarHBondContact O-N 3.5Å; P60-Y63 PolarHBondContact O-N 3.01Å; P60-T64 PolarHBondContact O-N 3.43Å
61S68.4Low73.9Confident68 Ų6861.7 Ų61.748%0.47633%0.331SS..G310 helixtrans-59.1-30176.755.40000113.3S59 Y63 T64S59-S61 PolarHBondContact O-N 2.98Å; S59-S61 VanDerWaalsContact O-N 3.12Å; S59-S61 PolarHBondContact OG-OG 3.01Å; S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact O-N 3.18Å; S61-T64 WeakPolarHBondContact O-CG2 3.28Å; S61-T64 PolarHBondContact O-OG1 3.22Å
62D67.9Low74.2Confident35 Ų3561 Ų6119%0.18733%0.332CS..G310 helixtrans-75.4-18.3-178.3-69.9-23.9000113.8S59 P60 A159 R241S59-D62 WeakPolarHBondContact O-CB 3.23Å; S59-D62 PolarHBondContact O-N 3.37Å; P60-D62 PolarHBondContact O-N 3.5Å; D62-A159 HydrophobicContact CB-CB 3.83Å; D62-R241 VanDerWaalsContact CG-NH2 3.33Å; D62-R241 IonicContact OD1-CZ 3.63Å; D62-R241 IonicContact OD1-NH1 3.05Å; D62-R241 PolarHBondContact OD1-NH1 3.13Å; D62-R241 IonicContact OD1-NH2 2.94Å; D62-R241 PolarHBondContact OD1-NH2 3.37Å; D62-R241 IonicContact OD2-CZ 3.98Å; D62-R241 IonicContact OD2-NE 2.83Å; D62-R241 IonicContact OD2-NH1 3.68Å; D62-R241 IonicContact OD2-NH2 3.48Å; D62-R241 PolarHBondContact OD2-NH2 2.98Å
63Y72.7Confident74.4Confident4 Ų457.4 Ų57.42%0.01631%0.313CS..G310 helixtrans-114.113-177.5-60.5-93.5000113F58 P60 S61 S65 F66 R67 I68 A159 I166 Y262F58-Y63 HydrophobicContact CD2-CD2 4.18Å; F58-Y63 AromaticContact CD2-CE2 3.64Å; F58-Y63 HydrophobicContact CD2-CE2 3.64Å; F58-Y63 AromaticContact CE2-CD2 3.55Å; F58-Y63 HydrophobicContact CE2-CD2 3.55Å; F58-Y63 AromaticContact CE2-CE2 3.42Å; F58-Y63 HydrophobicContact CE2-CE2 3.42Å; F58-Y63 VanDerWaalsContact CE2-CE2 3.42Å; F58-Y63 HydrophobicContact CE2-CG 4.37Å; F58-Y63 HydrophobicContact CZ-CD2 4.22Å; F58-Y63 HydrophobicContact CZ-CE2 4.47Å; P60-Y63 PolarHBondContact O-N 3.01Å; S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact O-N 3.18Å; Y63-S65 PolarHBondContact O-N 3.14Å; Y63-F66 HydrophobicContact CD1-CD2 4.21Å; Y63-F66 CarbonylContact O-C 3.28Å; Y63-F66 WeakPolarHBondContact O-CA 3.41Å; Y63-F66 PolarHBondContact O-N 3.4Å; Y63-R67 PolarHBondContact O-N 2.98Å; Y63-I68 HydrophobicContact CD1-CD1 3.79Å; Y63-I68 HydrophobicContact CG-CD1 4.25Å; Y63-A159 HydrophobicContact CE2-CB 3.9Å; Y63-A159 WeakPolarHBondContact OH-CA 3.47Å; Y63-A159 PolarHBondContact OH-N 3.07Å; Y63-A159 VanDerWaalsContact OH-N 3.14Å; Y63-I166 HydrophobicContact CE1-CD1 4.16Å; Y63-Y262 HydrophobicContact CD1-CE1 4.49Å; Y63-Y262 HydrophobicContact CE1-CE1 4.04Å; Y63-Y262 AromaticContact CE1-CZ 3.99Å; Y63-Y262 PolarHBondContact OH-OH 3.03Å
64T64.9Low74.3Confident104 Ų10457.5 Ų57.564%0.63831%0.313SS*.G310 helixtrans-56.3-35.6177.547.50000112.6P60 S61 F66 R67P60-T64 PolarHBondContact O-N 3.43Å; S61-T64 WeakPolarHBondContact O-CG2 3.28Å; S61-T64 PolarHBondContact O-OG1 3.22Å; T64-F66 PolarHBondContact O-N 3.03Å; T64-R67 PolarHBondContact O-N 3.33Å
65S64Low74.3Confident91 Ų9161.1 Ų61.164%0.63633%0.327SS*.G310 helixtrans-62.8-20.7173.652.90000113.9Y63Y63-S65 PolarHBondContact O-N 3.14Å
66F67.6Low74.5Confident69 Ų6958.3 Ų58.330%0.30331%0.312SS..G310 helixtrans-109.94.3-176.1-53.3-67.6000113.6Y63 T64 I68 I166 L170 F187Y63-F66 HydrophobicContact CD1-CD2 4.21Å; Y63-F66 CarbonylContact O-C 3.28Å; Y63-F66 WeakPolarHBondContact O-CA 3.41Å; Y63-F66 PolarHBondContact O-N 3.4Å; T64-F66 PolarHBondContact O-N 3.03Å; F66-I68 HydrophobicContact CB-CD1 3.94Å; F66-I68 HydrophobicContact CB-CG1 4.17Å; F66-I68 PolarHBondContact O-N 2.72Å; F66-I166 HydrophobicContact CD1-CG2 4.29Å; F66-I166 HydrophobicContact CE1-CG2 3.8Å; F66-I166 HydrophobicContact CE2-CG2 4.44Å; F66-I166 HydrophobicContact CZ-CG2 3.88Å; F66-L170 HydrophobicContact CD1-CD1 4.34Å; F66-L170 HydrophobicContact CE1-CD1 3.69Å; F66-F187 HydrophobicContact CB-CE2 4.36Å; F66-F187 HydrophobicContact CB-CZ 4.34Å; F66-F187 HydrophobicContact CD1-CZ 4.2Å
67R67.3Low75Confident173 Ų17355 Ų5565%0.65329%0.287SS*.THydrogen-bonded Turntrans5828.8-178.3-56-176177.2-171.6-0.8115Y63 T64 T264 T265Y63-R67 PolarHBondContact O-N 2.98Å; T64-R67 PolarHBondContact O-N 3.33Å; R67-T264 VanDerWaalsContact O-CA 3.29Å; R67-T264 WeakPolarHBondContact O-CA 3.36Å; R67-T264 WeakPolarHBondContact O-CB 3.49Å; R67-T265 PolarHBondContact O-N 2.84Å
68I75.2Confident75.5Confident8 Ų854.5 Ų54.54%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-86.4130.2175.8-62.2166.5000108.9F58 Y63 F66 F187 Y262 I263 T264F58-I68 HydrophobicContact CZ-CG2 4.15Å; Y63-I68 HydrophobicContact CD1-CD1 3.79Å; Y63-I68 HydrophobicContact CG-CD1 4.25Å; F66-I68 HydrophobicContact CB-CD1 3.94Å; F66-I68 HydrophobicContact CB-CG1 4.17Å; F66-I68 PolarHBondContact O-N 2.72Å; I68-F187 HydrophobicContact CD1-CE2 4.21Å; I68-Y262 HydrophobicContact CD1-CD1 3.8Å; I68-Y262 HydrophobicContact CD1-CD2 4.07Å; I68-Y262 HydrophobicContact CD1-CE1 4.2Å; I68-Y262 HydrophobicContact CD1-CE2 4.46Å; I68-Y262 HydrophobicContact CD1-CG 3.7Å; I68-Y262 HydrophobicContact CG1-CD1 4.43Å; I68-Y262 HydrophobicContact CG1-CG 4.29Å; I68-Y262 HydrophobicContact CG2-CD1 3.64Å; I68-Y262 HydrophobicContact CG2-CE1 4.49Å; I68-Y262 HydrophobicContact CG2-CG 4.16Å; I68-I263 CarbonylContact C-O 3.4Å; I68-I263 WeakPolarHBondContact CA-O 3.47Å; I68-T264 HydrophobicContact CG1-CG2 4.38Å
69A70.6Confident75.8Confident42 Ų4254.1 Ų54.135%0.34729%0.285SS..EExtended strand (participates in β ladder)trans-98.3-39.8178.900000112.4I263 T265A69-I263 PolarHBondContact N-O 2.94Å; A69-T265 HydrophobicContact CB-CG2 3.73Å
70D77.1Confident76.2Confident76 Ų7655.5 Ų55.541%0.40629%0.286SS..EExtended strand (participates in β ladder)trans-157.5171.6-171.2-157.90.7000111.4I263D70-I263 HydrophobicContact CB-CB 4.27Å; D70-I263 HydrophobicContact CB-CD1 4.18Å; D70-I263 PolarHBondContact N-O 3.18Å; D70-I263 PolarHBondContact O-N 3.14Å
71I82.9Confident76.9Confident9 Ų953 Ų535%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-124.3126.3-180-169171.5000110.6L54 L55 F58 L158 F260 E261 Y262L54-I71 HydrophobicContact CD2-CD1 4.03Å; L55-I71 HydrophobicContact CD2-CG2 3.7Å; F58-I71 HydrophobicContact CB-CG2 4.47Å; F58-I71 HydrophobicContact CD1-CG2 3.97Å; F58-I71 HydrophobicContact CD2-CB 4.44Å; F58-I71 HydrophobicContact CD2-CG2 4.32Å; F58-I71 HydrophobicContact CE1-CB 4.48Å; F58-I71 HydrophobicContact CE1-CG2 4.26Å; F58-I71 HydrophobicContact CE2-CB 4.33Å; F58-I71 HydrophobicContact CG-CG2 3.99Å; F58-I71 HydrophobicContact CZ-CB 4.34Å; I71-L158 HydrophobicContact CD1-CD2 3.52Å; I71-F260 HydrophobicContact CD1-CB 3.93Å; I71-F260 HydrophobicContact CD1-CD1 4.34Å; I71-F260 HydrophobicContact CD1-CD2 3.42Å; I71-F260 VanDerWaalsContact CD1-CD2 3.42Å; I71-F260 HydrophobicContact CD1-CE2 3.96Å; I71-F260 HydrophobicContact CD1-CG 3.64Å; I71-F260 HydrophobicContact CG1-CB 3.86Å; I71-F260 HydrophobicContact CG1-CD2 3.77Å; I71-F260 HydrophobicContact CG1-CG 4.04Å; I71-E261 CarbonylContact C-O 3.45Å; I71-E261 WeakPolarHBondContact CA-O 3.31Å; I71-Y262 HydrophobicContact CD1-CE1 4.34Å
72K83.3Confident77.5Confident110 Ų11052.8 Ų52.848%0.47827%0.268SS..EExtended strand (participates in β ladder)trans-100.1119.3174.5-176.9-177.5172.5-1680109.5F260 E261 I263K72-F260 CarbonylContact O-C 3.5Å; K72-F260 VanDerWaalsContact O-CA 3.23Å; K72-F260 WeakPolarHBondContact O-CA 3.4Å; K72-F260 WeakPolarHBondContact O-CB 3.42Å; K72-E261 HydrophobicContact CB-CB 4.4Å; K72-E261 PolarHBondContact N-O 3.45Å; K72-E261 PolarHBondContact O-N 3Å; K72-I263 HydrophobicContact CB-CD1 4.14Å; K72-I263 HydrophobicContact CB-CG1 4.39Å
73I82.4Confident78Confident22 Ų2253.4 Ų53.411%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-81.5124.3172.7-62.9168.3000108.2R51 L54 V76 I258R51-I73 HydrophobicContact CB-CD1 3.84Å; R51-I73 HydrophobicContact CG-CD1 3.78Å; L54-I73 HydrophobicContact CB-CD1 4.43Å; L54-I73 HydrophobicContact CD2-CD1 4.01Å; L54-I73 HydrophobicContact CD2-CG1 3.95Å; I73-V76 HydrophobicContact CG2-CG2 3.8Å; I73-I258 HydrophobicContact CG1-CG2 4.41Å; I73-I258 HydrophobicContact CG2-CG2 3.88Å
74N78.9Confident78.5Confident46 Ų4654.1 Ų54.125%0.24628%0.282CS..EExtended strand (participates in β ladder)trans-93-49.9-177.1-69.9-30.4000111.4H259N74-H259 PolarHBondContact N-O 3.12Å
75R80.7Confident79.5Confident75 Ų7555.9 Ų55.928%0.28328%0.277SS..EExtended strand (participates in β ladder)trans-149.4148.8-177.4-65.3178.1-177-136.513110.3E37 F77 H259E37-R75 WeakPolarHBondContact OE1-CD 3.43Å; E37-R75 WeakPolarHBondContact OE1-CG 3.43Å; E37-R75 IonicContact OE1-CZ 2.72Å; E37-R75 IonicContact OE1-NE 3.77Å; E37-R75 PolarHBondContact OE1-NE 3.24Å; E37-R75 IonicContact OE1-NH1 3.66Å; E37-R75 PolarHBondContact OE1-NH1 3.48Å; E37-R75 IonicContact OE2-NH1 3.53Å; E37-R75 PolarHBondContact OE2-NH1 3.02Å; R75-F77 HydrophobicContact CB-CE2 3.96Å; R75-F77 HydrophobicContact CB-CZ 4.19Å; R75-H259 HydrophobicContact CB-CB 4.49Å; R75-H259 PolarHBondContact N-O 3.18Å; R75-H259 PolarHBondContact O-N 3.41Å
76V83.9Confident80.3Confident0 Ų056.3 Ų56.30%027%0.271CS..EExtended strand (participates in β ladder)trans-128.4126174.1-178.10000107.8G38 W46 Y47 C50 I73 I257 I258G38-V76 PolarHBondContact N-O 3.32Å; W46-V76 HydrophobicContact CZ3-CG1 3.92Å; Y47-V76 HydrophobicContact CD2-CB 3.85Å; Y47-V76 HydrophobicContact CD2-CG2 3.83Å; Y47-V76 HydrophobicContact CE2-CB 3.91Å; Y47-V76 HydrophobicContact CE2-CG2 3.56Å; C50-V76 HydrophobicContact CB-CG1 4.21Å; I73-V76 HydrophobicContact CG2-CG2 3.8Å; V76-I257 WeakPolarHBondContact CA-O 3.45Å; V76-I258 HydrophobicContact CG1-CG1 4.13Å; V76-I258 HydrophobicContact CG2-CG1 4.27Å; V76-I258 HydrophobicContact CG2-CG2 4.21Å
77F85.4Confident81Confident10 Ų1059 Ų594%0.04428%0.28CS..EExtended strand (participates in β ladder)trans-109.7133.8175.2-59.2-82000109.8L19 F22 V35 E36 E37 R75 Y256 I257 H259L19-F77 HydrophobicContact CD1-CE1 4.31Å; F22-F77 HydrophobicContact CE2-CD2 4.41Å; F22-F77 HydrophobicContact CE2-CG 4.47Å; V35-F77 HydrophobicContact CG1-CB 3.75Å; V35-F77 HydrophobicContact CG1-CD1 4.02Å; V35-F77 HydrophobicContact CG1-CG 4.19Å; E36-F77 CarbonylContact O-C 3.49Å; E36-F77 WeakPolarHBondContact O-CA 3.39Å; E37-F77 HydrophobicContact CB-CD1 3.87Å; E37-F77 HydrophobicContact CB-CE1 3.75Å; E37-F77 HydrophobicContact CG-CD1 4.14Å; E37-F77 HydrophobicContact CG-CE1 3.74Å; E37-F77 HydrophobicContact CG-CZ 4.39Å; R75-F77 HydrophobicContact CB-CE2 3.96Å; R75-F77 HydrophobicContact CB-CZ 4.19Å; F77-Y256 CarbonylContact O-C 3.54Å; F77-Y256 VanDerWaalsContact O-CA 3.24Å; F77-Y256 WeakPolarHBondContact O-CA 3.18Å; F77-I257 HydrophobicContact CB-CB 4.27Å; F77-I257 PolarHBondContact N-O 3.3Å; F77-I257 PolarHBondContact O-N 2.91Å; F77-H259 AromaticContact CE2-CE1 3.85Å; F77-H259 AromaticContact CE2-ND1 3.94Å
78R86.9Confident81.8Confident76 Ų7651.1 Ų51.129%0.28725%0.25SC..EExtended strand (participates in β ladder)trans-99128.9172.5-174.6176.4-170.1-168.92109.6V35 E36 W46 Y256V35-R78 WeakPolarHBondContact CA-O 3.24Å; E36-R78 HydrophobicContact CB-CB 4.44Å; E36-R78 PolarHBondContact N-O 3.11Å; E36-R78 PolarHBondContact O-N 3.29Å; W46-R78 HydrophobicContact CE3-CB 4.46Å; W46-R78 HydrophobicContact CH2-CB 3.9Å; W46-R78 HydrophobicContact CZ2-CB 4.47Å; W46-R78 HydrophobicContact CZ3-CB 3.91Å; R78-Y256 HydrophobicContact CB-CD1 4.11Å; R78-Y256 HydrophobicContact CB-CE1 4.16Å; R78-Y256 HydrophobicContact CG-CD1 4.07Å; R78-Y256 HydrophobicContact CG-CE1 3.73Å
79I85.8Confident82.3Confident12 Ų1254.2 Ų54.26%0.06226%0.264CS..EExtended strand (participates in β ladder)trans-97.4124.9-178.7-54.5159000108.8N81 L133 P254 E255 I257I79-N81 HydrophobicContact CG2-CB 4.29Å; I79-L133 HydrophobicContact CB-CD2 4.26Å; I79-L133 HydrophobicContact CD1-CD2 3.43Å; I79-L133 VanDerWaalsContact CD1-CD2 3.43Å; I79-L133 HydrophobicContact CG1-CD2 3.64Å; I79-L133 HydrophobicContact CG2-CD2 3.58Å; I79-P254 HydrophobicContact CD1-CB 4.1Å; I79-E255 PolarHBondContact N-O 3.42Å; I79-I257 HydrophobicContact CD1-CD1 4.06Å; I79-I257 HydrophobicContact CD1-CG1 3.68Å; I79-I257 HydrophobicContact CG1-CD1 4.36Å; I79-I257 HydrophobicContact CG1-CG1 4.14Å
80H84.4Confident82.8Confident71 Ų7156.9 Ų56.933%0.32927%0.272SS..EExtended strand (participates in β ladder)trans-111.594.4169.7-59.494.4000108.4V33 R34 E36V33-H80 CarbonylContact C-O 3.59Å; V33-H80 WeakPolarHBondContact CA-O 3.43Å; R34-H80 HydrophobicContact CB-CB 4.19Å; R34-H80 PolarHBondContact N-O 3.39Å; R34-H80 WeakPolarHBondContact O-CB 3.35Å; R34-H80 PolarHBondContact O-N 2.93Å; E36-H80 IonicContact OE2-CE1 3.81Å; E36-H80 PolarHBondContact OE2-CE1 3.16Å
81N84.2Confident82.9Confident12 Ų1255.7 Ų55.76%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-112.6106.2173.7-175.8-36.6000109.3V33 I79 A83 L84 R85 L133V33-N81 HydrophobicContact CG2-CB 4.36Å; V33-N81 WeakPolarHBondContact CG2-ND2 3.31Å; I79-N81 HydrophobicContact CG2-CB 4.29Å; N81-A83 PolarHBondContact OD1-N 3.06Å; N81-L84 HydrophobicContact CB-CB 4.3Å; N81-L84 HydrophobicContact CB-CD1 4.42Å; N81-L84 WeakPolarHBondContact ND2-CD1 3.25Å; N81-L84 WeakPolarHBondContact ND2-CG 3.4Å; N81-L84 PolarHBondContact OD1-N 2.92Å; N81-R85 WeakPolarHBondContact O-CB 3.49Å; N81-R85 PolarHBondContact O-N 3.47Å; N81-L133 PolarHBondContact ND2-O 3.11Å
82S80.8Confident82.8Confident63 Ų6355.8 Ų55.844%0.44126%0.264SS..Hα-helixtrans-66.8-37.8-177.558.60000112.2N32 L86N32-S82 PolarHBondContact O-N 2.84Å; N32-S82 VanDerWaalsContact O-N 3.15Å; N32-S82 PolarHBondContact O-OG 3.21Å; S82-L86 VanDerWaalsContact O-CB 3.31Å; S82-L86 WeakPolarHBondContact O-CB 3.36Å; S82-L86 PolarHBondContact O-N 3.17Å
83A79.9Confident82.6Confident48 Ų4856 Ų5640%0.39727%0.267SS..Hα-helixtrans-69.3-49.3-177.200000112.4N81 R85 L86 R87N81-A83 PolarHBondContact OD1-N 3.06Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.31Å; A83-L86 PolarHBondContact O-N 3.08Å; A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.48Å
84L82.8Confident82.4Confident20 Ų2058.1 Ų58.111%0.10528%0.284CS..Hα-helixtrans-65.6-37.5177.2-68.6-178.5000111.6N81 R87 F88 L253 P254N81-L84 HydrophobicContact CB-CB 4.3Å; N81-L84 HydrophobicContact CB-CD1 4.42Å; N81-L84 WeakPolarHBondContact ND2-CD1 3.25Å; N81-L84 WeakPolarHBondContact ND2-CG 3.4Å; N81-L84 PolarHBondContact OD1-N 2.92Å; L84-R87 PolarHBondContact O-N 2.88Å; L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.19Å; L84-L253 HydrophobicContact CB-CD1 3.99Å; L84-P254 HydrophobicContact CD1-CG 4.2Å
85R85.1Confident82.1Confident140 Ų14058.5 Ų58.553%0.52829%0.285SS..Hα-helixtrans-63.3-44.4175.9-177.4173.9177.7170.5-1111.9N81 A83 F88 E89 L253N81-R85 WeakPolarHBondContact O-CB 3.49Å; N81-R85 PolarHBondContact O-N 3.47Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.31Å; R85-F88 PolarHBondContact O-N 3.06Å; R85-E89 HydrophobicContact CG-CG 4.43Å; R85-E89 IonicContact CZ-OE1 3.03Å; R85-E89 IonicContact NE-OE1 2.74Å; R85-E89 PolarHBondContact NE-OE1 2.91Å; R85-E89 IonicContact NH2-OE1 2.67Å; R85-E89 PolarHBondContact NH2-OE1 3.18Å; R85-E89 WeakPolarHBondContact O-CB 3.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.39Å; R85-L253 HydrophobicContact CB-CD1 4.24Å; R85-L253 HydrophobicContact CB-CD2 4.42Å; R85-L253 HydrophobicContact CG-CD2 4.33Å
86L82Confident81.6Confident100 Ų10055.4 Ų55.452%0.52427%0.274SS..Hα-helixtrans-66.3-41.9179-165.8138.6000111.3S82 A83 F88 E89 D90S82-L86 VanDerWaalsContact O-CB 3.31Å; S82-L86 WeakPolarHBondContact O-CB 3.36Å; S82-L86 PolarHBondContact O-N 3.17Å; A83-L86 PolarHBondContact O-N 3.08Å; L86-F88 PolarHBondContact O-N 3Å; L86-E89 PolarHBondContact O-N 3.4Å; L86-D90 VanDerWaalsContact CD2-OD2 3.27Å; L86-D90 WeakPolarHBondContact CD2-OD2 3.38Å; L86-D90 VanDerWaalsContact O-CB 3.32Å; L86-D90 WeakPolarHBondContact O-CB 3.3Å; L86-D90 VanDerWaalsContact O-CG 3.31Å; L86-D90 PolarHBondContact O-N 2.91Å
87R82.2Confident80.6Confident127 Ų12759.8 Ų59.848%0.47931%0.305SS..Hα-helixtrans-58.9-44172.4-71.7-178.9-174.6177.85.1112.4A83 L84 K91A83-R87 WeakPolarHBondContact O-CG 3.39Å; A83-R87 PolarHBondContact O-N 3.48Å; L84-R87 PolarHBondContact O-N 2.88Å; R87-K91 WeakPolarHBondContact O-CB 3.44Å; R87-K91 PolarHBondContact O-N 3.44Å
88F84.3Confident79.4Confident7 Ų764.3 Ų64.33%0.03133%0.334CS..Hα-helixtrans-63.3-47.2177174.8-87.6000111.8L84 R85 L86 L92 L112 F198 E250 L251 L253L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.19Å; R85-F88 PolarHBondContact O-N 3.06Å; L86-F88 PolarHBondContact O-N 3Å; F88-L92 HydrophobicContact CE1-CD2 4.15Å; F88-L92 WeakPolarHBondContact O-CB 3.48Å; F88-L92 PolarHBondContact O-N 3.26Å; F88-L112 HydrophobicContact CE1-CD2 4.48Å; F88-L112 HydrophobicContact CZ-CD2 3.81Å; F88-F198 HydrophobicContact CE2-CB 4.35Å; F88-F198 HydrophobicContact CZ-CB 4.31Å; F88-E250 WeakPolarHBondContact CA-O 3.22Å; F88-E250 WeakPolarHBondContact CD2-O 3.36Å; F88-L251 WeakPolarHBondContact CE2-O 3.26Å; F88-L253 HydrophobicContact CD2-CB 4.08Å; F88-L253 HydrophobicContact CG-CB 4.2Å
89E83.9Confident78.1Confident73 Ų7364 Ų6434%0.34134%0.335SS..Hα-helixtrans-65-44179.3-72.9176.9-175.700111.2R85 L86 L92 H93R85-E89 HydrophobicContact CG-CG 4.43Å; R85-E89 IonicContact CZ-OE1 3.03Å; R85-E89 IonicContact NE-OE1 2.74Å; R85-E89 PolarHBondContact NE-OE1 2.91Å; R85-E89 IonicContact NH2-OE1 2.67Å; R85-E89 PolarHBondContact NH2-OE1 3.18Å; R85-E89 WeakPolarHBondContact O-CB 3.35Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.39Å; L86-E89 PolarHBondContact O-N 3.4Å; E89-L92 PolarHBondContact O-N 3.18Å; E89-H93 WeakPolarHBondContact O-CB 3.25Å; E89-H93 PolarHBondContact O-CD2 3.25Å; E89-H93 PolarHBondContact O-N 3.27Å
90D82.3Confident76.2Confident97 Ų9772.9 Ų72.952%0.51938%0.377SS..Hα-helixtrans-62-44.7176.8-77.6-12.8000112.1L86 H93 S94L86-D90 VanDerWaalsContact CD2-OD2 3.27Å; L86-D90 WeakPolarHBondContact CD2-OD2 3.38Å; L86-D90 VanDerWaalsContact O-CB 3.32Å; L86-D90 WeakPolarHBondContact O-CB 3.3Å; L86-D90 VanDerWaalsContact O-CG 3.31Å; L86-D90 PolarHBondContact O-N 2.91Å; D90-H93 PolarHBondContact O-N 3.27Å; D90-S94 WeakPolarHBondContact O-CB 3.15Å; D90-S94 PolarHBondContact O-N 3.34Å
91K79.9Confident74.6Confident52 Ų5272.6 Ų72.623%0.22638%0.383CS..Hα-helixtrans-68-39.6178.7-172.353.5165.5-800111.8R87 S94 L95 D248 E250 L251R87-K91 WeakPolarHBondContact O-CB 3.44Å; R87-K91 PolarHBondContact O-N 3.44Å; K91-S94 PolarHBondContact O-N 3.25Å; K91-L95 WeakPolarHBondContact O-CG 3.48Å; K91-L95 PolarHBondContact O-N 3.15Å; K91-D248 VanDerWaalsContact CE-OD2 3.32Å; K91-D248 WeakPolarHBondContact CE-OD2 3.28Å; K91-D248 IonicContact NZ-OD2 2.76Å; K91-D248 PolarHBondContact NZ-OD2 2.98Å; K91-E250 HydrophobicContact CB-CB 4.22Å; K91-E250 HydrophobicContact CG-CB 4.04Å; K91-E250 WeakPolarHBondContact CG-OE2 3.34Å; K91-E250 IonicContact NZ-OE2 2.73Å; K91-E250 PolarHBondContact NZ-OE2 2.93Å; K91-L251 HydrophobicContact CG-CD2 4.04Å
92L80.1Confident73Confident10 Ų1078 Ų785%0.05242%0.416CS..Hα-helixtrans-61.6-44.7173.4-177.566000111.1F88 E89 L95 L96 Y108 F198F88-L92 HydrophobicContact CE1-CD2 4.15Å; F88-L92 WeakPolarHBondContact O-CB 3.48Å; F88-L92 PolarHBondContact O-N 3.26Å; E89-L92 PolarHBondContact O-N 3.18Å; L92-L95 PolarHBondContact O-N 3.48Å; L92-L96 HydrophobicContact CD1-CD1 4.29Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 3.11Å; L92-Y108 HydrophobicContact CD2-CD2 4.09Å; L92-Y108 HydrophobicContact CD2-CE2 4.05Å; L92-F198 HydrophobicContact CD1-CB 4.34Å; L92-F198 HydrophobicContact CD1-CD1 3.99Å; L92-F198 HydrophobicContact CD1-CD2 3.48Å; L92-F198 VanDerWaalsContact CD1-CD2 3.48Å; L92-F198 HydrophobicContact CD1-CE1 4.1Å; L92-F198 HydrophobicContact CD1-CE2 3.61Å; L92-F198 HydrophobicContact CD1-CG 3.67Å; L92-F198 HydrophobicContact CD1-CZ 3.91Å
93H78.6Confident71.6Confident116 Ų11679.7 Ų79.754%0.53742%0.423SS..Hα-helixtrans-64.4-40.2176.7-80.3-56.6000112.5E89 D90 L96 S97E89-H93 WeakPolarHBondContact O-CB 3.25Å; E89-H93 PolarHBondContact O-CD2 3.25Å; E89-H93 PolarHBondContact O-N 3.27Å; D90-H93 PolarHBondContact O-N 3.27Å; H93-L96 PolarHBondContact O-N 3.43Å; H93-S97 WeakPolarHBondContact O-CB 3.45Å; H93-S97 PolarHBondContact O-N 3.11Å
94S78.6Confident70.1Confident66 Ų6677.7 Ų77.746%0.46241%0.407SS..Hα-helixtrans-59.6-47.6174.3178.50000111.5D90 K91 L96 S97 T98D90-S94 WeakPolarHBondContact O-CB 3.15Å; D90-S94 PolarHBondContact O-N 3.34Å; K91-S94 PolarHBondContact O-N 3.25Å; S94-L96 PolarHBondContact O-N 2.86Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 PolarHBondContact O-OG 2.79Å; S94-T98 PolarHBondContact O-N 3.3Å; S94-T98 PolarHBondContact O-OG1 3.48Å; S94-T98 VanDerWaalsContact O-OG1 3.11Å
95L71.9Confident68.7Low53 Ų5381.7 Ų81.728%0.27743%0.428SS..Hα-helixtrans-65.1-38.3178.5-70.7173.1000112.9K91 L92 S97 T98 L251K91-L95 WeakPolarHBondContact O-CG 3.48Å; K91-L95 PolarHBondContact O-N 3.15Å; L92-L95 PolarHBondContact O-N 3.48Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-T98 WeakPolarHBondContact CA-OG1 3.4Å; L95-T98 PolarHBondContact O-N 2.99Å; L95-T98 PolarHBondContact O-OG1 3.25Å; L95-L251 HydrophobicContact CD1-CD1 4.03Å; L95-L251 HydrophobicContact CD1-CD2 3.8Å; L95-L251 HydrophobicContact CD1-CG 4.48Å
96L69.9Low67.2Low11 Ų1182.8 Ų82.86%0.05844%0.439CS..Hα-helixtrans-70.8-29.9177.3-69.6171.4000112.3L92 H93 S94 T98 E99 Y108L92-L96 HydrophobicContact CD1-CD1 4.29Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 3.11Å; H93-L96 PolarHBondContact O-N 3.43Å; S94-L96 PolarHBondContact O-N 2.86Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 3.09Å; L96-E99 PolarHBondContact O-N 3.3Å; L96-Y108 HydrophobicContact CD1-CD1 4.46Å; L96-Y108 HydrophobicContact CD1-CD2 4.48Å; L96-Y108 HydrophobicContact CD1-CG 4.19Å
97S64.4Low66.2Low92 Ų9280.8 Ų80.864%0.64343%0.428SS*.Hα-helixtrans-69.6-24.9175.973.20000113.4H93 S94 L95H93-S97 WeakPolarHBondContact O-CB 3.45Å; H93-S97 PolarHBondContact O-N 3.11Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 PolarHBondContact O-OG 2.79Å; L95-S97 VanDerWaalsContact C-N 3.34Å
98T60.5Low65.4Low105 Ų10577.7 Ų77.764%0.64442%0.417SS*.Hα-helixtrans-79.9-18.1174.219.20000114.2S94 L95 L96S94-T98 PolarHBondContact O-N 3.3Å; S94-T98 PolarHBondContact O-OG1 3.48Å; S94-T98 VanDerWaalsContact O-OG1 3.11Å; L95-T98 WeakPolarHBondContact CA-OG1 3.4Å; L95-T98 PolarHBondContact O-N 2.99Å; L95-T98 PolarHBondContact O-OG1 3.25Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 3.09Å
99E58.5Low64.5Low68 Ų6886.4 Ų86.432%0.31845%0.45SS..SBendtrans-95.795175.8-71.4-169.4166.900109.7L96 S101 R111L96-E99 PolarHBondContact O-N 3.3Å; E99-S101 PolarHBondContact O-N 3.18Å; E99-R111 IonicContact OE1-NH1 2.63Å; E99-R111 IonicContact OE2-NH1 2.79Å; E99-R111 PolarHBondContact OE2-NH1 2.67Å; E99-R111 VanDerWaalsContact OE2-NH1 3.15Å
100E46.5Very low63.6Low200 Ų20093 Ų9394%0.93547%0.472SS*.  trans-62.19.1-173.1-70.3-175.5157.300116.9
101S51.3Low63.1Low65 Ų6591.8 Ų91.846%0.45546%0.46SS..  trans-98.2120.6-178.784.10000112.8E99 V103 A104E99-S101 PolarHBondContact O-N 3.18Å; S101-V103 PolarHBondContact O-N 3.49Å; S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 2.67Å; S101-A104 WeakPolarHBondContact OG-CB 3.28Å; S101-A104 PolarHBondContact OG-N 3.31Å
102V50.5Low63.1Low125 Ų12591.2 Ų91.276%0.75846%0.459SS*.Hα-helixtrans-56.4-23.1175179.20000112.5
103V49.8Very low63.3Low98 Ų9894 Ų9459%0.59447%0.472SS*.Hα-helixtrans-74.3-24.9176.7-177.30000112.7S101 N107S101-V103 PolarHBondContact O-N 3.49Å; V103-N107 PolarHBondContact O-ND2 2.98Å; V103-N107 VanDerWaalsContact O-ND2 3.12Å
104A49.8Very low63.7Low7 Ų793.2 Ų93.26%0.05847%0.465CS..Hα-helixtrans-71.8-35.4176.500000112.2S101 Q106 N107 Y108S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 2.67Å; S101-A104 WeakPolarHBondContact OG-CB 3.28Å; S101-A104 PolarHBondContact OG-N 3.31Å; A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 3.26Å; A104-N107 PolarHBondContact O-N 2.79Å; A104-Y108 PolarHBondContact O-N 2.82Å; A104-Y108 VanDerWaalsContact O-N 3.1Å
105L52.4Low64Low104 Ų10490 Ų9055%0.54544%0.443SS..Hα-helixtrans-69.2-24179.7-115.8110.8000113.9Y108L105-Y108 WeakPolarHBondContact O-CD1 3.33Å; L105-Y108 WeakPolarHBondContact O-CE1 3.32Å
106Q54.2Low64.8Low163 Ų16387.6 Ų87.676%0.76243%0.43SS*.Hα-helixtrans-87.8-21.1174.3-74.7-177.8-18.800112.9A104A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 3.26Å
107N59.8Low65.6Low57 Ų5787.9 Ų87.931%0.30543%0.43SS..Hα-helixtrans-106.7-5-173-75.4-48.9000115.3V103 A104 R109 R110V103-N107 PolarHBondContact O-ND2 2.98Å; V103-N107 VanDerWaalsContact O-ND2 3.12Å; A104-N107 PolarHBondContact O-N 2.79Å; N107-R109 PolarHBondContact O-N 3.01Å; N107-R109 VanDerWaalsContact O-N 3.14Å; N107-R110 WeakPolarHBondContact O-CB 3.45Å; N107-R110 PolarHBondContact O-N 3.33Å
108Y66.2Low66.5Low63 Ų6384.5 Ų84.525%0.24741%0.405CS..G310 helixtrans-59.4-27.118080.4-83.1000113.5L92 L96 A104 L105 R110 R111 L112L92-Y108 HydrophobicContact CD2-CD2 4.09Å; L92-Y108 HydrophobicContact CD2-CE2 4.05Å; L96-Y108 HydrophobicContact CD1-CD1 4.46Å; L96-Y108 HydrophobicContact CD1-CD2 4.48Å; L96-Y108 HydrophobicContact CD1-CG 4.19Å; A104-Y108 PolarHBondContact O-N 2.82Å; A104-Y108 VanDerWaalsContact O-N 3.1Å; L105-Y108 WeakPolarHBondContact O-CD1 3.33Å; L105-Y108 WeakPolarHBondContact O-CE1 3.32Å; Y108-R110 PolarHBondContact O-N 2.84Å; Y108-R111 WeakPolarHBondContact O-CA 3.12Å; Y108-R111 WeakPolarHBondContact O-CB 3.38Å; Y108-R111 PolarHBondContact O-N 2.99Å; Y108-L112 HydrophobicContact CD2-CD1 4.35Å; Y108-L112 HydrophobicContact CE2-CD1 4.27Å
109R64.5Low67.4Low190 Ų19079.7 Ų79.772%0.71738%0.376SS*.G310 helixtrans-58.7-29174.6-70.5-173.3-179.3-178.1-0.2112.9N107 R111 L112N107-R109 PolarHBondContact O-N 3.01Å; N107-R109 VanDerWaalsContact O-N 3.14Å; R109-R111 PolarHBondContact O-N 3.42Å; R109-L112 PolarHBondContact O-N 2.83Å
110R66.3Low68.1Low212 Ų21279.1 Ų79.180%0.838%0.375SS*.G310 helixtrans-75.7-11.7175.1-62.8-178178.3179.80.6113.2N107 Y108N107-R110 WeakPolarHBondContact O-CB 3.45Å; N107-R110 PolarHBondContact O-N 3.33Å; Y108-R110 PolarHBondContact O-N 2.84Å
111R71.3Confident69.1Low71 Ų7170.7 Ų70.727%0.26834%0.337SS..G310 helixtrans-1003.1177.8-57.1-178.3-178171.3-0.4112.7E99 Y108 R109 F198 V199E99-R111 IonicContact OE1-NH1 2.63Å; E99-R111 IonicContact OE2-NH1 2.79Å; E99-R111 PolarHBondContact OE2-NH1 2.67Å; E99-R111 VanDerWaalsContact OE2-NH1 3.15Å; Y108-R111 WeakPolarHBondContact O-CA 3.12Å; Y108-R111 WeakPolarHBondContact O-CB 3.38Å; Y108-R111 PolarHBondContact O-N 2.99Å; R109-R111 PolarHBondContact O-N 3.42Å; R111-F198 HydrophobicContact CB-CD2 4.21Å; R111-F198 HydrophobicContact CB-CE2 3.74Å; R111-F198 HydrophobicContact CB-CZ 4.42Å; R111-V199 PolarHBondContact O-N 2.91Å
112L81.1Confident69.8Low40 Ų4074.1 Ų74.121%0.20935%0.346CS..EExtended strand (participates in β ladder)trans-95.4127.1173.4-71.1170.5000109.6F88 Y108 R109 V197 F198F88-L112 HydrophobicContact CE1-CD2 4.48Å; F88-L112 HydrophobicContact CZ-CD2 3.81Å; Y108-L112 HydrophobicContact CD2-CD1 4.35Å; Y108-L112 HydrophobicContact CE2-CD1 4.27Å; R109-L112 PolarHBondContact O-N 2.83Å; L112-V197 WeakPolarHBondContact CA-O 3.23Å; L112-F198 HydrophobicContact CD2-CB 4.03Å; L112-F198 HydrophobicContact CD2-CD2 4Å; L112-F198 HydrophobicContact CG-CD2 4.44Å
113E82.8Confident70.7Confident67 Ų6770.7 Ų70.731%0.31332%0.323SS..EExtended strand (participates in β ladder)trans-125.4153.7176.1-66.5-163.3-174.200111.4L115 V197 V199 W244E113-L115 HydrophobicContact CB-CD2 4.33Å; E113-L115 HydrophobicContact CB-CG 4.29Å; E113-V197 PolarHBondContact N-O 3.28Å; E113-V197 PolarHBondContact O-N 2.94Å; E113-V199 HydrophobicContact CB-CG2 4.06Å; E113-V199 HydrophobicContact CG-CG2 4.05Å; E113-W244 VanDerWaalsContact OE2-CZ2 3.26Å; E113-W244 WeakPolarHBondContact OE2-CZ2 3.43Å
114Y86.6Confident71.7Confident100 Ų10068.3 Ų68.339%0.39231%0.311SS..EExtended strand (participates in β ladder)trans-98.8116168-73-79.9000109.2V194 C195 K196 E255 Y256Y114-V194 HydrophobicContact CD1-CG1 4Å; Y114-C195 WeakPolarHBondContact CA-O 3.43Å; Y114-K196 HydrophobicContact CD1-CB 4.19Å; Y114-K196 HydrophobicContact CE1-CB 3.82Å; Y114-K196 HydrophobicContact CE1-CD 4.44Å; Y114-K196 HydrophobicContact CE1-CG 4.25Å; Y114-E255 WeakPolarHBondContact CE1-OE2 3.24Å; Y114-E255 PolarHBondContact OH-OE2 2.9Å; Y114-Y256 HydrophobicContact CE1-CE2 4.41Å
115L86.4Confident72.6Confident0 Ų070.5 Ų70.50%032%0.32CS..EExtended strand (participates in β ladder)trans-121.7153.8-177.4-57.5178.7000110.9E113 L154 N156 C195 V197 W244E113-L115 HydrophobicContact CB-CD2 4.33Å; E113-L115 HydrophobicContact CB-CG 4.29Å; L115-L154 HydrophobicContact CB-CB 3.88Å; L115-L154 HydrophobicContact CB-CD2 4.41Å; L115-L154 HydrophobicContact CD1-CB 3.81Å; L115-L154 HydrophobicContact CD1-CD1 4.43Å; L115-N156 HydrophobicContact CD2-CB 3.98Å; L115-C195 PolarHBondContact N-O 2.63Å; L115-C195 PolarHBondContact O-N 3.08Å; L115-V197 HydrophobicContact CB-CG2 4.32Å; L115-V197 HydrophobicContact CD1-CB 4.25Å; L115-V197 HydrophobicContact CD1-CG1 4.31Å; L115-V197 HydrophobicContact CD1-CG2 4.22Å; L115-V197 HydrophobicContact CG-CG2 4.42Å; L115-W244 HydrophobicContact CD1-CB 4.05Å; L115-W244 HydrophobicContact CD1-CD2 3.77Å; L115-W244 HydrophobicContact CD1-CE3 3.75Å; L115-W244 HydrophobicContact CD1-CG 3.93Å; L115-W244 HydrophobicContact CD1-CZ3 4.41Å; L115-W244 HydrophobicContact CD2-CD2 4.2Å; L115-W244 HydrophobicContact CD2-CE3 3.6Å; L115-W244 HydrophobicContact CD2-CH2 3.78Å; L115-W244 HydrophobicContact CD2-CZ2 4.39Å; L115-W244 HydrophobicContact CD2-CZ3 3.39Å; L115-W244 HydrophobicContact CG-CE3 4.33Å
116F87.3Confident73.5Confident2 Ų267.2 Ų67.21%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-96.1129.5-178-57.4-26.9000111.1L53 L54 R57 S155 L158 S161 V192 V194L53-F116 HydrophobicContact CD2-CE1 4.23Å; L53-F116 HydrophobicContact CG-CE1 4.32Å; L53-F116 HydrophobicContact CG-CZ 4.3Å; L54-F116 HydrophobicContact CD1-CE2 4.14Å; L54-F116 HydrophobicContact CD1-CZ 4.05Å; R57-F116 HydrophobicContact CB-CE2 3.67Å; R57-F116 HydrophobicContact CB-CZ 4.05Å; R57-F116 HydrophobicContact CG-CE2 4.11Å; R57-F116 HydrophobicContact CG-CZ 4.12Å; F116-S155 WeakPolarHBondContact CB-O 3.46Å; F116-S155 PolarHBondContact N-O 3.1Å; F116-S155 PolarHBondContact O-N 2.95Å; F116-L158 HydrophobicContact CD2-CB 4.48Å; F116-S161 PolarHBondContact O-OG 2.99Å; F116-V192 HydrophobicContact CB-CG2 3.68Å; F116-V192 HydrophobicContact CD1-CG2 4.29Å; F116-V192 HydrophobicContact CG-CG2 4.03Å; F116-V194 HydrophobicContact CD1-CG1 4.47Å; F116-V194 HydrophobicContact CD1-CG2 4.1Å; F116-V194 HydrophobicContact CE1-CG1 4.4Å; F116-V194 HydrophobicContact CE1-CG2 4.1Å
117Y87.9Confident74.5Confident17 Ų1765.8 Ų65.87%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-114.3138170.2-179.7-102.9000109.8E128 I132 F137 V152 L154 I193Y117-E128 PolarHBondContact OH-OE1 2.78Å; Y117-I132 HydrophobicContact CD1-CD1 4.13Å; Y117-I132 HydrophobicContact CE1-CD1 3.52Å; Y117-F137 AromaticContact CD1-CE1 3.88Å; Y117-F137 HydrophobicContact CD1-CE1 3.88Å; Y117-F137 HydrophobicContact CD1-CZ 4.15Å; Y117-F137 AromaticContact CD2-CE1 3.93Å; Y117-F137 HydrophobicContact CD2-CE1 3.93Å; Y117-F137 AromaticContact CE1-CE1 3.89Å; Y117-F137 HydrophobicContact CE1-CE1 3.89Å; Y117-F137 AromaticContact CE2-CE1 3.96Å; Y117-F137 HydrophobicContact CE2-CE1 3.96Å; Y117-F137 AromaticContact CG-CE1 3.88Å; Y117-F137 HydrophobicContact CG-CE1 3.88Å; Y117-F137 HydrophobicContact CG-CZ 4.11Å; Y117-F137 AromaticContact CZ-CE1 3.93Å; Y117-V152 HydrophobicContact CD2-CG1 4.16Å; Y117-V152 HydrophobicContact CE2-CG1 4.17Å; Y117-L154 HydrophobicContact CD2-CD2 4.29Å; Y117-L154 HydrophobicContact CG-CD2 4.42Å; Y117-I193 HydrophobicContact CD1-CB 4.44Å; Y117-I193 HydrophobicContact CD1-CD1 4.17Å; Y117-I193 PolarHBondContact N-O 3.25Å; Y117-I193 PolarHBondContact O-N 3.29Å
118I83.4Confident75.5Confident20 Ų2064.3 Ų64.310%0.10329%0.289CS..  trans-131.3133172.5-63.4178.5000106.6L158 E162 V192I118-L158 HydrophobicContact CD1-CD1 4.27Å; I118-E162 HydrophobicContact CD1-CB 4.31Å; I118-E162 HydrophobicContact CD1-CG 3.47Å; I118-E162 VanDerWaalsContact CD1-CG 3.47Å; I118-E162 WeakPolarHBondContact CD1-OE1 3.41Å; I118-V192 HydrophobicContact CD1-CG2 4.35Å; I118-V192 HydrophobicContact CG1-CB 4.28Å; I118-V192 HydrophobicContact CG1-CG2 3.98Å
119A78.4Confident76.2Confident5 Ų561.5 Ų61.54%0.04128%0.278CS..  trans-56.1149.6-179.500000111.5E125 E128A119-E125 HydrophobicContact CB-CG 4.28Å; A119-E128 VanDerWaalsContact CA-OE2 3.32Å; A119-E128 WeakPolarHBondContact CA-OE2 3.32Å; A119-E128 HydrophobicContact CB-CB 4.41Å; A119-E128 HydrophobicContact CB-CG 4.38Å; A119-E128 WeakPolarHBondContact CB-OE2 3.36Å
120D72.9Confident76.9Confident55 Ų5553.9 Ų53.929%0.29425%0.252SS..  trans-71.9125.6178.3-168.5-33.6000108.9E122 I123 E128 R148D120-E122 PolarHBondContact O-N 2.88Å; D120-E122 PolarHBondContact OD1-N 3.02Å; D120-I123 PolarHBondContact O-N 3.49Å; D120-E128 PolarHBondContact N-OE2 3.17Å; D120-E128 VanDerWaalsContact N-OE2 3.09Å; D120-R148 VanDerWaalsContact CG-NH1 3.26Å; D120-R148 IonicContact OD2-CZ 3.63Å; D120-R148 IonicContact OD2-NE 2.73Å; D120-R148 IonicContact OD2-NH1 3.22Å; D120-R148 PolarHBondContact OD2-NH1 3.11Å; D120-R148 IonicContact OD2-NH2 3Å
121P67.7Low77.6Confident23 Ų2347.1 Ų47.115%0.14923%0.228CC..THydrogen-bonded Turntrans-62-14.4-175.124.6-36.4000115I123 F168P121-I123 VanDerWaalsContact C-N 3.29Å; P121-F168 HydrophobicContact CB-CB 3.72Å; P121-F168 HydrophobicContact CB-CD1 3.51Å; P121-F168 HydrophobicContact CB-CD2 4.21Å; P121-F168 HydrophobicContact CB-CE1 4.01Å; P121-F168 HydrophobicContact CB-CG 3.57Å; P121-F168 HydrophobicContact CG-CB 3.74Å; P121-F168 HydrophobicContact CG-CD1 4.39Å; P121-F168 HydrophobicContact CG-CD2 4.35Å; P121-F168 HydrophobicContact CG-CG 3.95Å; P121-F168 WeakPolarHBondContact O-CE1 3.44Å; P121-F168 WeakPolarHBondContact O-CZ 3.3Å
122E67.3Low78.2Confident138 Ų13844 Ų4465%0.64522%0.217SC*.THydrogen-bonded Turntrans-75.2-15.1172.8-67.4-177.8177.300113.6D120 R148 F168D120-E122 PolarHBondContact O-N 2.88Å; D120-E122 PolarHBondContact OD1-N 3.02Å; E122-R148 IonicContact OE2-CZ 3.66Å; E122-R148 IonicContact OE2-NH2 2.78Å; E122-R148 PolarHBondContact OE2-NH2 3.49Å; E122-F168 HydrophobicContact CG-CE2 4.48Å
123I67.8Low78.2Confident52 Ų5242.2 Ų42.227%0.26721%0.208SC..SBendtrans-109.8148.5179.9-59175.2000108.6D120 P121 E125 E128D120-I123 PolarHBondContact O-N 3.49Å; P121-I123 VanDerWaalsContact C-N 3.29Å; I123-E125 PolarHBondContact O-N 2.59Å; I123-E128 HydrophobicContact CG2-CB 4.1Å
124S70.8Confident78.1Confident49 Ų4943 Ų4334%0.34321%0.211SC..  trans-58.4111.8172176.80000110.2T126 E127 E128S124-T126 PolarHBondContact O-N 3.28Å; S124-T126 VanDerWaalsContact O-N 3.09Å; S124-T126 PolarHBondContact OG-OG1 3.14Å; S124-E127 PolarHBondContact O-N 3.12Å; S124-E128 PolarHBondContact O-N 3.13Å
125E69.7Low77.6Confident53 Ų5343.7 Ų43.725%0.24822%0.218CC..Hα-helixtrans-47.8-38.3177.8-77.1-176.7-173.100112.5A119 I123 T129 R165 H191A119-E125 HydrophobicContact CB-CG 4.28Å; I123-E125 PolarHBondContact O-N 2.59Å; E125-T129 WeakPolarHBondContact O-CB 3.43Å; E125-T129 PolarHBondContact O-N 3.07Å; E125-T129 PolarHBondContact O-OG1 2.66Å; E125-R165 VanDerWaalsContact OE1-CD 3.31Å; E125-R165 WeakPolarHBondContact OE1-CD 3.22Å; E125-H191 IonicContact OE2-CE1 3.1Å; E125-H191 PolarHBondContact OE2-CE1 2.86Å; E125-H191 VanDerWaalsContact OE2-CE1 3.23Å; E125-H191 IonicContact OE2-ND1 3.92Å; E125-H191 PolarHBondContact OE2-ND1 2.77Å
126T70.1Confident77.3Confident35 Ų3543.9 Ų43.922%0.21522%0.22CC..Hα-helixtrans-66.9-44.8177.952.70000113.1Y18 S124 L130Y18-T126 HydrophobicContact CE1-CG2 3.6Å; Y18-T126 HydrophobicContact CE2-CG2 4.18Å; Y18-T126 WeakPolarHBondContact OH-CG2 3.23Å; S124-T126 PolarHBondContact O-N 3.28Å; S124-T126 VanDerWaalsContact O-N 3.09Å; S124-T126 PolarHBondContact OG-OG1 3.14Å; T126-L130 VanDerWaalsContact O-CG 3.28Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 2.69Å; T126-L130 VanDerWaalsContact O-N 3.11Å
127E76.1Confident77.1Confident132 Ų13244.4 Ų44.462%0.61722%0.223SC*.Hα-helixtrans-73.9-37.7-174.7-66.7173.3-176.500110.8S124 F131S124-E127 PolarHBondContact O-N 3.12Å; E127-F131 VanDerWaalsContact O-CB 3.27Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 3.13Å
128E80.6Confident76.4Confident26 Ų2647.4 Ų47.412%0.12124%0.236CC..Hα-helixtrans-66.9-41175.9-173.8158-131.800111.6Y117 A119 D120 I123 S124 F131 I132Y117-E128 PolarHBondContact OH-OE1 2.78Å; A119-E128 VanDerWaalsContact CA-OE2 3.32Å; A119-E128 WeakPolarHBondContact CA-OE2 3.32Å; A119-E128 HydrophobicContact CB-CB 4.41Å; A119-E128 HydrophobicContact CB-CG 4.38Å; A119-E128 WeakPolarHBondContact CB-OE2 3.36Å; D120-E128 PolarHBondContact N-OE2 3.17Å; D120-E128 VanDerWaalsContact N-OE2 3.09Å; I123-E128 HydrophobicContact CG2-CB 4.1Å; S124-E128 PolarHBondContact O-N 3.13Å; E128-F131 PolarHBondContact O-N 2.93Å; E128-I132 HydrophobicContact CG-CD1 3.95Å; E128-I132 WeakPolarHBondContact O-CD1 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.24Å; E128-I132 WeakPolarHBondContact O-CG1 3.31Å; E128-I132 PolarHBondContact O-N 3.4Å
129T80.7Confident75.4Confident5 Ų548.4 Ų48.43%0.03124%0.243CC..Hα-helixtrans-63.8-45.1176.9-58.50000111.9E125 I132 L133 H191 I193 I257E125-T129 WeakPolarHBondContact O-CB 3.43Å; E125-T129 PolarHBondContact O-N 3.07Å; E125-T129 PolarHBondContact O-OG1 2.66Å; T129-I132 PolarHBondContact O-N 3.31Å; T129-L133 HydrophobicContact CG2-CD1 4.36Å; T129-L133 VanDerWaalsContact O-CG 3.29Å; T129-L133 WeakPolarHBondContact O-CG 2.95Å; T129-L133 PolarHBondContact O-N 3.27Å; T129-L133 VanDerWaalsContact O-N 3.11Å; T129-H191 PolarHBondContact OG1-NE2 3.15Å; T129-I193 HydrophobicContact CG2-CD1 4.18Å; T129-I257 HydrophobicContact CG2-CD1 3.94Å
130L80.6Confident74.4Confident29 Ų2950.4 Ų50.415%0.15226%0.255CS..Hα-helixtrans-64.8-42.1177.6-67.7168.9000111.5Q21 F22 V25 T126 I132 L133 E134Q21-L130 HydrophobicContact CB-CD1 4.19Å; Q21-L130 HydrophobicContact CB-CD2 4.1Å; Q21-L130 HydrophobicContact CG-CD1 4.38Å; F22-L130 HydrophobicContact CD1-CD2 4.07Å; F22-L130 HydrophobicContact CE1-CD2 4.2Å; V25-L130 HydrophobicContact CG2-CD2 3.79Å; T126-L130 VanDerWaalsContact O-CG 3.28Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 2.69Å; T126-L130 VanDerWaalsContact O-N 3.11Å; L130-I132 PolarHBondContact O-N 3.32Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.5Å; L130-L133 VanDerWaalsContact O-N 3.14Å; L130-E134 PolarHBondContact O-N 3.4Å
131F80Confident73.5Confident71 Ų7153.7 Ų53.731%0.31127%0.272SS..Hα-helixtrans-60.5-43.2176-177.6-89000112.4E127 E128 L133 E134 E135 G136 K138E127-F131 VanDerWaalsContact O-CB 3.27Å; E127-F131 WeakPolarHBondContact O-CB 3.37Å; E127-F131 PolarHBondContact O-N 3.13Å; E128-F131 PolarHBondContact O-N 2.93Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 3.46Å; F131-E134 PolarHBondContact O-N 3.08Å; F131-E135 HydrophobicContact CE1-CB 4.27Å; F131-E135 HydrophobicContact CE2-CB 4.17Å; F131-E135 HydrophobicContact CE2-CG 4.26Å; F131-E135 HydrophobicContact CZ-CB 3.96Å; F131-E135 HydrophobicContact CZ-CG 4.5Å; F131-E135 PolarHBondContact O-N 3.23Å; F131-G136 WeakPolarHBondContact CE1-O 3.17Å; F131-K138 HydrophobicContact CD1-CG 4.26Å; F131-K138 HydrophobicContact CE1-CD 4.18Å; F131-K138 HydrophobicContact CE1-CG 3.42Å; F131-K138 VanDerWaalsContact CE1-CG 3.42Å; F131-K138 HydrophobicContact CZ-CG 3.95Å
132I83.6Confident72.9Confident5 Ų558 Ų583%0.02629%0.29CS..Hα-helixtrans-63.2-35.7177-70.6165.1000111.1Y117 E128 T129 L130 G136 F137 I193 P254Y117-I132 HydrophobicContact CD1-CD1 4.13Å; Y117-I132 HydrophobicContact CE1-CD1 3.52Å; E128-I132 HydrophobicContact CG-CD1 3.95Å; E128-I132 WeakPolarHBondContact O-CD1 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.24Å; E128-I132 WeakPolarHBondContact O-CG1 3.31Å; E128-I132 PolarHBondContact O-N 3.4Å; T129-I132 PolarHBondContact O-N 3.31Å; L130-I132 PolarHBondContact O-N 3.32Å; I132-G136 VanDerWaalsContact O-CA 3.28Å; I132-G136 WeakPolarHBondContact O-CA 3.47Å; I132-G136 PolarHBondContact O-N 3.23Å; I132-G136 VanDerWaalsContact O-N 3.15Å; I132-F137 HydrophobicContact CD1-CD1 4.27Å; I132-F137 HydrophobicContact CD1-CE1 3.8Å; I132-F137 HydrophobicContact CD1-CZ 4.22Å; I132-F137 HydrophobicContact CG1-CD1 4.37Å; I132-F137 HydrophobicContact CG1-CE1 4.29Å; I132-F137 HydrophobicContact CG2-CD2 4.47Å; I132-F137 HydrophobicContact CG2-CE2 4.03Å; I132-F137 HydrophobicContact CG2-CZ 4.1Å; I132-I193 HydrophobicContact CD1-CD1 4.19Å; I132-P254 HydrophobicContact CG2-CB 4.23Å; I132-P254 HydrophobicContact CG2-CG 4Å
133L81.4Confident72.3Confident3 Ų352.7 Ų52.72%0.01627%0.267CS..Hα-helixtrans-69.3-36178.1-71.5171.8000112.9F22 I79 N81 T129 L130 F131 I257F22-L133 HydrophobicContact CD1-CD1 3.93Å; F22-L133 HydrophobicContact CE1-CD1 3.59Å; I79-L133 HydrophobicContact CB-CD2 4.26Å; I79-L133 HydrophobicContact CD1-CD2 3.43Å; I79-L133 VanDerWaalsContact CD1-CD2 3.43Å; I79-L133 HydrophobicContact CG1-CD2 3.64Å; I79-L133 HydrophobicContact CG2-CD2 3.58Å; N81-L133 PolarHBondContact ND2-O 3.11Å; T129-L133 HydrophobicContact CG2-CD1 4.36Å; T129-L133 VanDerWaalsContact O-CG 3.29Å; T129-L133 WeakPolarHBondContact O-CG 2.95Å; T129-L133 PolarHBondContact O-N 3.27Å; T129-L133 VanDerWaalsContact O-N 3.11Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.5Å; L130-L133 VanDerWaalsContact O-N 3.14Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 3.46Å; L133-I257 HydrophobicContact CD1-CD1 4.24Å; L133-I257 HydrophobicContact CD2-CD1 4.4Å
134E79.6Confident71.5Confident84 Ų8457 Ų5739%0.39328%0.284SS..Hα-helixtrans-83.5-53.7-178.2-71.7171-170.400112.5V25 L130 F131V25-E134 HydrophobicContact CG1-CG 3.98Å; V25-E134 HydrophobicContact CG2-CG 4.5Å; V25-E134 WeakPolarHBondContact CG2-OE1 3.48Å; L130-E134 PolarHBondContact O-N 3.4Å; F131-E134 PolarHBondContact O-N 3.08Å
135E76.3Confident70.5Confident113 Ų11358.1 Ų58.153%0.52830%0.304SS..Hα-helixtrans-112.3-12.3-166.8-67.6-66.2160.800113.5F131F131-E135 HydrophobicContact CE1-CB 4.27Å; F131-E135 HydrophobicContact CE2-CB 4.17Å; F131-E135 HydrophobicContact CE2-CG 4.26Å; F131-E135 HydrophobicContact CZ-CB 3.96Å; F131-E135 HydrophobicContact CZ-CG 4.5Å; F131-E135 PolarHBondContact O-N 3.23Å
136G81.1Confident69.7Low5 Ų561.4 Ų61.45%0.05232%0.322CS..  trans83.6-168.4-173.600000113.5F131 I132F131-G136 WeakPolarHBondContact CE1-O 3.17Å; I132-G136 VanDerWaalsContact O-CA 3.28Å; I132-G136 WeakPolarHBondContact O-CA 3.47Å; I132-G136 PolarHBondContact O-N 3.23Å; I132-G136 VanDerWaalsContact O-N 3.15Å
137F82.3Confident68.6Low13 Ų1363.3 Ų63.36%0.05735%0.349CS..SBendtrans-72.4143179.6-71.2-88.3000111.5Y117 I132 V152 H249 I252Y117-F137 AromaticContact CD1-CE1 3.88Å; Y117-F137 HydrophobicContact CD1-CE1 3.88Å; Y117-F137 HydrophobicContact CD1-CZ 4.15Å; Y117-F137 AromaticContact CD2-CE1 3.93Å; Y117-F137 HydrophobicContact CD2-CE1 3.93Å; Y117-F137 AromaticContact CE1-CE1 3.89Å; Y117-F137 HydrophobicContact CE1-CE1 3.89Å; Y117-F137 AromaticContact CE2-CE1 3.96Å; Y117-F137 HydrophobicContact CE2-CE1 3.96Å; Y117-F137 AromaticContact CG-CE1 3.88Å; Y117-F137 HydrophobicContact CG-CE1 3.88Å; Y117-F137 HydrophobicContact CG-CZ 4.11Å; Y117-F137 AromaticContact CZ-CE1 3.93Å; I132-F137 HydrophobicContact CD1-CD1 4.27Å; I132-F137 HydrophobicContact CD1-CE1 3.8Å; I132-F137 HydrophobicContact CD1-CZ 4.22Å; I132-F137 HydrophobicContact CG1-CD1 4.37Å; I132-F137 HydrophobicContact CG1-CE1 4.29Å; I132-F137 HydrophobicContact CG2-CD2 4.47Å; I132-F137 HydrophobicContact CG2-CE2 4.03Å; I132-F137 HydrophobicContact CG2-CZ 4.1Å; F137-V152 HydrophobicContact CB-CG2 4.13Å; F137-V152 HydrophobicContact CD1-CG1 3.73Å; F137-V152 HydrophobicContact CD1-CG2 4.16Å; F137-V152 HydrophobicContact CE1-CG1 3.86Å; F137-V152 HydrophobicContact CG-CG1 4.42Å; F137-V152 HydrophobicContact CG-CG2 4.34Å; F137-H249 HydrophobicContact CB-CB 3.88Å; F137-H249 WeakPolarHBondContact O-CB 3.43Å; F137-H249 PolarHBondContact O-CD2 2.78Å; F137-I252 HydrophobicContact CD2-CB 3.97Å; F137-I252 HydrophobicContact CD2-CD1 4.4Å; F137-I252 HydrophobicContact CD2-CG2 3.64Å; F137-I252 HydrophobicContact CE2-CB 4.18Å; F137-I252 HydrophobicContact CE2-CG2 3.33Å; F137-I252 HydrophobicContact CZ-CG2 4.1Å
138K73.3Confident67.6Low80 Ų8061.2 Ų61.235%0.34834%0.336SS..PPolyproline II helixtrans-64.3145.8-175.5-67.7177.3-179.2168.30113.1F131 V143F131-K138 HydrophobicContact CD1-CG 4.26Å; F131-K138 HydrophobicContact CE1-CD 4.18Å; F131-K138 HydrophobicContact CE1-CG 3.42Å; F131-K138 VanDerWaalsContact CE1-CG 3.42Å; F131-K138 HydrophobicContact CZ-CG 3.95Å; K138-V143 HydrophobicContact CB-CG2 3.97Å
139T63.8Low66.2Low40 Ų4066.4 Ų66.425%0.24536%0.358CS..PPolyproline II helixtrans-68.5151.2176.956.30000112.5N141 Q142 V143 H249T139-N141 PolarHBondContact O-N 3.04Å; T139-N141 VanDerWaalsContact O-N 3.09Å; T139-Q142 PolarHBondContact O-N 3.24Å; T139-Q142 VanDerWaalsContact OG1-CG 3.26Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.36Å; T139-Q142 PolarHBondContact OG1-N 3.24Å; T139-Q142 PolarHBondContact OG1-OE1 2.78Å; T139-V143 WeakPolarHBondContact O-CG2 3.39Å; T139-V143 PolarHBondContact O-N 2.98Å; T139-V143 VanDerWaalsContact O-N 3.11Å; T139-H249 WeakPolarHBondContact CG2-NE2 3.18Å
140T56.9Low65.1Low48 Ų4867.9 Ų67.929%0.29437%0.37SS..Hα-helixtrans-55.3-28.7176.151.70000113.8K144 A150 F247T140-K144 WeakPolarHBondContact O-CG 3.24Å; T140-K144 PolarHBondContact O-N 2.82Å; T140-A150 HydrophobicContact CG2-CB 4.46Å; T140-A150 WeakPolarHBondContact CG2-O 3.13Å; T140-F247 WeakPolarHBondContact CG2-O 3.43Å
141N53.2Low64.6Low124 Ų12467.2 Ų67.266%0.66337%0.369SS*.Hα-helixtrans-76.6-34.9177-69.4-24.6000113.1T139T139-N141 PolarHBondContact O-N 3.04Å; T139-N141 VanDerWaalsContact O-N 3.09Å
142Q55.8Low64.5Low112 Ų11264.7 Ų64.752%0.52336%0.36SS..Hα-helixtrans-72.7-33.4174.8-72.5166.2-11.300111.8T139T139-Q142 PolarHBondContact O-N 3.24Å; T139-Q142 VanDerWaalsContact OG1-CG 3.26Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.36Å; T139-Q142 PolarHBondContact OG1-N 3.24Å; T139-Q142 PolarHBondContact OG1-OE1 2.78Å
143V54.5Low64.3Low27 Ų2767 Ų6716%0.16438%0.375CS..Hα-helixtrans-73.8-30.3179.2179.10000112.5K138 T139 G145 L146 R148 K149K138-V143 HydrophobicContact CB-CG2 3.97Å; T139-V143 WeakPolarHBondContact O-CG2 3.39Å; T139-V143 PolarHBondContact O-N 2.98Å; T139-V143 VanDerWaalsContact O-N 3.11Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.48Å; V143-L146 PolarHBondContact O-N 3.16Å; V143-L146 VanDerWaalsContact O-N 3.15Å; V143-R148 HydrophobicContact CG1-CB 3.93Å; V143-K149 WeakPolarHBondContact CG1-O 3.44Å
144K51.3Low64.5Low142 Ų14266.9 Ų66.962%0.61737%0.374SS*.Hα-helixtrans-63.1-30.4174.6-83177.4-179.4176.30113.5T140 L146 G147T140-K144 WeakPolarHBondContact O-CG 3.24Å; T140-K144 PolarHBondContact O-N 2.82Å; K144-L146 PolarHBondContact O-N 3.38Å; K144-G147 PolarHBondContact O-N 2.85Å
145G49Very low64.6Low74 Ų7462.9 Ų62.976%0.76336%0.356SS*.THydrogen-bonded Turntrans-67.8-16.7175.400000114.3V143V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.48Å
146L53.3Low64.9Low121 Ų12158.1 Ų58.163%0.63433%0.334SS*.THydrogen-bonded Turntrans-106.55.2-177.5-73.2159.1000113.2V143 K144 R148V143-L146 PolarHBondContact O-N 3.16Å; V143-L146 VanDerWaalsContact O-N 3.15Å; K144-L146 PolarHBondContact O-N 3.38Å; L146-R148 PolarHBondContact O-N 3.12Å
147G46.7Very low64.9Low76 Ų7658.1 Ų58.178%0.78433%0.333SS*.THydrogen-bonded Turntrans68.713.7179.300000115.4K144K144-G147 PolarHBondContact O-N 2.85Å
148R55.3Low64.9Low88 Ų8857.5 Ų57.533%0.33233%0.33SS..  trans-98.5162.4-177.5-68.7-168.7179179.79.6112.9D120 E122 V143 L146 A150D120-R148 VanDerWaalsContact CG-NH1 3.26Å; D120-R148 IonicContact OD2-CZ 3.63Å; D120-R148 IonicContact OD2-NE 2.73Å; D120-R148 IonicContact OD2-NH1 3.22Å; D120-R148 PolarHBondContact OD2-NH1 3.11Å; D120-R148 IonicContact OD2-NH2 3Å; E122-R148 IonicContact OE2-CZ 3.66Å; E122-R148 IonicContact OE2-NH2 2.78Å; E122-R148 PolarHBondContact OE2-NH2 3.49Å; V143-R148 HydrophobicContact CG1-CB 3.93Å; L146-R148 PolarHBondContact O-N 3.12Å; R148-A150 PolarHBondContact O-N 2.99Å
149K51.7Low65.1Low135 Ų13554.6 Ų54.659%0.58732%0.321SS*.  trans-59.9132.5-178.4-66.4177.7-178.4172.60110.5V143 A151V143-K149 WeakPolarHBondContact CG1-O 3.44Å; K149-A151 PolarHBondContact O-N 2.61Å
150A56.8Low65.8Low35 Ų3553.2 Ų53.229%0.28931%0.313SS..SBendtrans-7529.7-173.800000115.1T140 R148T140-A150 HydrophobicContact CG2-CB 4.46Å; T140-A150 WeakPolarHBondContact CG2-O 3.13Å; R148-A150 PolarHBondContact O-N 2.99Å
151A70.1Confident66.9Low15 Ų1551.8 Ų51.812%0.12431%0.305CS..SBendtrans-147.1144-17700000111.4K149 P153 F245 V246 F247K149-A151 PolarHBondContact O-N 2.61Å; A151-P153 WeakPolarHBondContact O-CD 3.19Å; A151-F245 HydrophobicContact CB-CB 3.88Å; A151-F245 HydrophobicContact CB-CD1 4.41Å; A151-V246 WeakPolarHBondContact CA-O 3.47Å; A151-F247 HydrophobicContact CB-CD1 3.61Å; A151-F247 HydrophobicContact CB-CE1 3.73Å; A151-F247 HydrophobicContact CB-CG 4.48Å
152V78.2Confident68.2Low19 Ų1945.9 Ų45.912%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-79.8121.3178.5-175.50000109.6Y117 F137 L154 V246 I252Y117-V152 HydrophobicContact CD2-CG1 4.16Å; Y117-V152 HydrophobicContact CE2-CG1 4.17Å; F137-V152 HydrophobicContact CB-CG2 4.13Å; F137-V152 HydrophobicContact CD1-CG1 3.73Å; F137-V152 HydrophobicContact CD1-CG2 4.16Å; F137-V152 HydrophobicContact CE1-CG1 3.86Å; F137-V152 HydrophobicContact CG-CG1 4.42Å; F137-V152 HydrophobicContact CG-CG2 4.34Å; V152-L154 HydrophobicContact CG1-CG 4.24Å; V152-V246 PolarHBondContact N-O 3.06Å; V152-V246 PolarHBondContact O-N 2.96Å; V152-V246 VanDerWaalsContact O-N 3.1Å; V152-I252 HydrophobicContact CB-CD1 3.74Å; V152-I252 HydrophobicContact CG1-CD1 3.97Å; V152-I252 HydrophobicContact CG2-CD1 3.86Å
153P80.6Confident69.2Low54 Ų5444.9 Ų44.935%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-82.6120.6178.631.4-31.3000111.2A151 W244 F245A151-P153 WeakPolarHBondContact O-CD 3.19Å; P153-W244 WeakPolarHBondContact CA-O 3.22Å; P153-F245 HydrophobicContact CB-CD1 4.41Å; P153-F245 HydrophobicContact CB-CE1 4.12Å
154L84.2Confident70.3Confident0 Ų046.7 Ų46.70%028%0.281CS..EExtended strand (participates in β ladder)trans-127.2147.2179.6-69.9163.1000110.1L115 Y117 V152 C195 V197 Q243 W244 V246 I252L115-L154 HydrophobicContact CB-CB 3.88Å; L115-L154 HydrophobicContact CB-CD2 4.41Å; L115-L154 HydrophobicContact CD1-CB 3.81Å; L115-L154 HydrophobicContact CD1-CD1 4.43Å; Y117-L154 HydrophobicContact CD2-CD2 4.29Å; Y117-L154 HydrophobicContact CG-CD2 4.42Å; V152-L154 HydrophobicContact CG1-CG 4.24Å; L154-C195 HydrophobicContact CD2-CB 4.35Å; L154-V197 HydrophobicContact CD1-CG1 4.27Å; L154-V197 HydrophobicContact CD1-CG2 3.62Å; L154-Q243 CarbonylContact O-C 3.51Å; L154-Q243 WeakPolarHBondContact O-CA 3.34Å; L154-Q243 WeakPolarHBondContact O-CG 3.23Å; L154-W244 PolarHBondContact N-O 3.42Å; L154-W244 PolarHBondContact O-N 3.5Å; L154-V246 HydrophobicContact CD1-CB 4.47Å; L154-V246 HydrophobicContact CD1-CG2 3.87Å; L154-I252 HydrophobicContact CD1-CD1 4Å; L154-I252 HydrophobicContact CD1-CG1 4.26Å; L154-I252 HydrophobicContact CD1-CG2 4.32Å
155S83.3Confident71.7Confident0 Ų040.3 Ų40.30%025%0.253CS..EExtended strand (participates in β ladder)trans-140.4154.3178.8-169.40000113.1F116 S157 V160 S161 R242F116-S155 WeakPolarHBondContact CB-O 3.46Å; F116-S155 PolarHBondContact N-O 3.1Å; F116-S155 PolarHBondContact O-N 2.95Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact OG-N 3.35Å; S155-V160 WeakPolarHBondContact OG-CB 3.1Å; S155-S161 WeakPolarHBondContact CB-OG 3.45Å; S155-R242 WeakPolarHBondContact CA-O 3.32Å; S155-R242 WeakPolarHBondContact CB-O 3.44Å; S155-R242 PolarHBondContact OG-O 2.88Å
156N82Confident73.1Confident12 Ų1237 Ų376%0.06422%0.217CC..SBendtrans-93.45.5173.467.1-10.3000112.5R57 L115 H240 R242 W244R57-N156 WeakPolarHBondContact CB-O 3.16Å; R57-N156 VanDerWaalsContact CD-O 3.26Å; R57-N156 WeakPolarHBondContact CD-O 3.49Å; R57-N156 WeakPolarHBondContact CG-O 3.12Å; R57-N156 PolarHBondContact NH1-ND2 3.05Å; L115-N156 HydrophobicContact CD2-CB 3.98Å; N156-H240 PolarHBondContact OD1-O 3.02Å; N156-R242 PolarHBondContact N-O 3.21Å; N156-R242 PolarHBondContact OD1-N 3.43Å; N156-R242 PolarHBondContact OD1-O 3.38Å; N156-W244 HydrophobicContact CB-CH2 3.73Å; N156-W244 HydrophobicContact CB-CZ3 3.56Å; N156-W244 WeakPolarHBondContact ND2-CH2 3.33Å
157S81.8Confident74.2Confident5 Ų535.8 Ų35.84%0.03521%0.208CC..  trans-125.4125.5179.7173.30000109.4S155 A159 V160 S161S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact OG-N 3.35Å; S157-A159 VanDerWaalsContact C-N 3.26Å; S157-A159 PolarHBondContact O-N 2.81Å; S157-V160 PolarHBondContact O-N 3.1Å; S157-S161 PolarHBondContact O-N 2.87Å
158L81.6Confident75.7Confident0 Ų035.1 Ų35.10%018%0.184CC..Hα-helixtrans-61.2-38.9178.2-174.664.2000111.1L54 F58 I71 F116 I118 V160 S161 E162 V192 F260L54-L158 HydrophobicContact CD1-CD1 4.12Å; L54-L158 HydrophobicContact CD1-CD2 4.07Å; F58-L158 HydrophobicContact CD2-CD2 4.22Å; I71-L158 HydrophobicContact CD1-CD2 3.52Å; F116-L158 HydrophobicContact CD2-CB 4.48Å; I118-L158 HydrophobicContact CD1-CD1 4.27Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 2.95Å; L158-S161 PolarHBondContact O-N 2.59Å; L158-E162 HydrophobicContact CD1-CG 3.89Å; L158-E162 HydrophobicContact CG-CG 4.02Å; L158-E162 VanDerWaalsContact O-CB 3.28Å; L158-E162 WeakPolarHBondContact O-CB 3.22Å; L158-E162 WeakPolarHBondContact O-CG 3.46Å; L158-E162 PolarHBondContact O-N 3.28Å; L158-V192 HydrophobicContact CD1-CB 4.48Å; L158-V192 HydrophobicContact CD1-CG2 4.45Å; L158-F260 HydrophobicContact CD1-CE1 4.19Å; L158-F260 HydrophobicContact CD1-CZ 4.11Å; L158-F260 HydrophobicContact CD2-CZ 4.29Å
159A77.3Confident76.6Confident20 Ų2033.1 Ų33.117%0.16518%0.18CC..Hα-helixtrans-60-38.3179.400000112.5D62 Y63 S157 Q163D62-A159 HydrophobicContact CB-CB 3.83Å; Y63-A159 HydrophobicContact CE2-CB 3.9Å; Y63-A159 WeakPolarHBondContact OH-CA 3.47Å; Y63-A159 PolarHBondContact OH-N 3.07Å; Y63-A159 VanDerWaalsContact OH-N 3.14Å; S157-A159 VanDerWaalsContact C-N 3.26Å; S157-A159 PolarHBondContact O-N 2.81Å; A159-Q163 WeakPolarHBondContact O-CB 3.5Å; A159-Q163 PolarHBondContact O-N 3.35Å
160V77.6Confident77.6Confident10 Ų1031.2 Ų31.26%0.06118%0.176CC..Hα-helixtrans-72.1-38.9-180174.70000111.8S155 S157 L158 K226 R241 Q243S155-V160 WeakPolarHBondContact OG-CB 3.1Å; S157-V160 PolarHBondContact O-N 3.1Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 2.95Å; V160-K226 HydrophobicContact CG1-CD 3.65Å; V160-R241 HydrophobicContact CG2-CB 4.47Å; V160-Q243 HydrophobicContact CG1-CB 4.42Å
161S80.1Confident78.2Confident18 Ų1835.7 Ų35.713%0.12619%0.191CC..Hα-helixtrans-74.8-33.8178-64.60000112.7F116 S155 S157 L158 P164F116-S161 PolarHBondContact O-OG 2.99Å; S155-S161 WeakPolarHBondContact CB-OG 3.45Å; S157-S161 PolarHBondContact O-N 2.87Å; L158-S161 PolarHBondContact O-N 2.59Å; S161-P164 WeakPolarHBondContact O-CD 3.15Å
162E80.8Confident77.9Confident0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-80.5-23.3-178.7-80.9-81.390.500114.1I118 L158 P164 R165 I166 F260 Y262I118-E162 HydrophobicContact CD1-CB 4.31Å; I118-E162 HydrophobicContact CD1-CG 3.47Å; I118-E162 VanDerWaalsContact CD1-CG 3.47Å; I118-E162 WeakPolarHBondContact CD1-OE1 3.41Å; L158-E162 HydrophobicContact CD1-CG 3.89Å; L158-E162 HydrophobicContact CG-CG 4.02Å; L158-E162 VanDerWaalsContact O-CB 3.28Å; L158-E162 WeakPolarHBondContact O-CB 3.22Å; L158-E162 WeakPolarHBondContact O-CG 3.46Å; L158-E162 PolarHBondContact O-N 3.28Å; E162-P164 VanDerWaalsContact C-CD 3.46Å; E162-R165 PolarHBondContact O-N 2.92Å; E162-R165 VanDerWaalsContact O-N 3.12Å; E162-R165 IonicContact OE1-CZ 2.98Å; E162-R165 IonicContact OE1-NE 3.85Å; E162-R165 PolarHBondContact OE1-NE 3.42Å; E162-R165 IonicContact OE1-NH2 2.92Å; E162-R165 IonicContact OE2-CZ 3.69Å; E162-R165 IonicContact OE2-NE 2.72Å; E162-R165 IonicContact OE2-NH2 3.03Å; E162-R165 PolarHBondContact OE2-NH2 2.94Å; E162-I166 HydrophobicContact CB-CD1 4Å; E162-I166 HydrophobicContact CB-CG1 4.49Å; E162-I166 WeakPolarHBondContact O-CG1 3.4Å; E162-I166 PolarHBondContact O-N 2.92Å; E162-F260 HydrophobicContact CG-CZ 4.34Å; E162-Y262 WeakPolarHBondContact CG-OH 3.41Å; E162-Y262 PolarHBondContact OE2-OH 2.51Å
163Q77.5Confident76.4Confident92 Ų9244.7 Ų44.743%0.4324%0.238SC..Hα-helixtrans-51.9-44.8-174.9-176.1178.13.500114.3A159 Q167A159-Q163 WeakPolarHBondContact O-CB 3.5Å; A159-Q163 PolarHBondContact O-N 3.35Å; Q163-Q167 VanDerWaalsContact O-CB 3.25Å; Q163-Q167 WeakPolarHBondContact O-CB 3.44Å; Q163-Q167 PolarHBondContact O-N 3.08Å
164P76.6Confident74.8Confident64 Ų6450.2 Ų50.242%0.41627%0.265SS..Hα-helixtrans-62.8-42.9178.1-20.834000112.8S161 E162 Q167 F168S161-P164 WeakPolarHBondContact O-CD 3.15Å; E162-P164 VanDerWaalsContact C-CD 3.46Å; P164-Q167 PolarHBondContact O-N 3.5Å; P164-F168 WeakPolarHBondContact O-CB 3.47Å; P164-F168 PolarHBondContact O-N 3.38Å
165R81.8Confident72.8Confident9 Ų959 Ų593%0.03431%0.306CS..Hα-helixtrans-65.2-47.3179.5-169.8-175.272.689.91.1111.4E125 E162 Q167 F168 L169 F187 H189E125-R165 VanDerWaalsContact OE1-CD 3.31Å; E125-R165 WeakPolarHBondContact OE1-CD 3.22Å; E162-R165 PolarHBondContact O-N 2.92Å; E162-R165 VanDerWaalsContact O-N 3.12Å; E162-R165 IonicContact OE1-CZ 2.98Å; E162-R165 IonicContact OE1-NE 3.85Å; E162-R165 PolarHBondContact OE1-NE 3.42Å; E162-R165 IonicContact OE1-NH2 2.92Å; E162-R165 IonicContact OE2-CZ 3.69Å; E162-R165 IonicContact OE2-NE 2.72Å; E162-R165 IonicContact OE2-NH2 3.03Å; E162-R165 PolarHBondContact OE2-NH2 2.94Å; R165-Q167 VanDerWaalsContact C-N 3.35Å; R165-Q167 PolarHBondContact O-N 3.42Å; R165-F168 PolarHBondContact O-N 3.27Å; R165-L169 HydrophobicContact CG-CD1 4.16Å; R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.23Å; R165-L169 PolarHBondContact O-N 3.38Å; R165-F187 PolarHBondContact NH2-O 3.01Å; R165-H189 PolarHBondContact NH1-O 3.35Å; R165-H189 PolarHBondContact NH2-O 2.77Å
166I76.9Confident70.4Confident4 Ų465.2 Ų65.22%0.02135%0.348CS..Hα-helixtrans-61.7-44.4177.3-66.1173.3000110.4Y63 F66 E162 L169 L170 F187Y63-I166 HydrophobicContact CE1-CD1 4.16Å; F66-I166 HydrophobicContact CD1-CG2 4.29Å; F66-I166 HydrophobicContact CE1-CG2 3.8Å; F66-I166 HydrophobicContact CE2-CG2 4.44Å; F66-I166 HydrophobicContact CZ-CG2 3.88Å; E162-I166 HydrophobicContact CB-CD1 4Å; E162-I166 HydrophobicContact CB-CG1 4.49Å; E162-I166 WeakPolarHBondContact O-CG1 3.4Å; E162-I166 PolarHBondContact O-N 2.92Å; I166-L169 PolarHBondContact O-N 2.99Å; I166-L170 HydrophobicContact CG2-CD1 3.74Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 VanDerWaalsContact O-CG 3.22Å; I166-L170 WeakPolarHBondContact O-CG 3.21Å; I166-L170 PolarHBondContact O-N 2.97Å; I166-F187 HydrophobicContact CG1-CB 4.36Å; I166-F187 HydrophobicContact CG1-CD2 4.39Å; I166-F187 HydrophobicContact CG1-CG 4.36Å; I166-F187 HydrophobicContact CG2-CD1 4.32Å; I166-F187 HydrophobicContact CG2-CE1 4.5Å; I166-F187 HydrophobicContact CG2-CG 4.37Å
167Q76.6Confident68.1Low95 Ų9571.8 Ų71.844%0.44438%0.383SS..Hα-helixtrans-65.7-40.4179.5-174.3172.9-8.300112.2Q163 P164 R165 L170 Q171Q163-Q167 VanDerWaalsContact O-CB 3.25Å; Q163-Q167 WeakPolarHBondContact O-CB 3.44Å; Q163-Q167 PolarHBondContact O-N 3.08Å; P164-Q167 PolarHBondContact O-N 3.5Å; R165-Q167 VanDerWaalsContact C-N 3.35Å; R165-Q167 PolarHBondContact O-N 3.42Å; Q167-L170 PolarHBondContact O-N 2.69Å; Q167-Q171 HydrophobicContact CG-CG 4.45Å; Q167-Q171 VanDerWaalsContact NE2-NE2 3.18Å; Q167-Q171 WeakPolarHBondContact O-CB 3.48Å; Q167-Q171 WeakPolarHBondContact O-CG 3.14Å; Q167-Q171 PolarHBondContact O-N 3.16Å
168F79.4Confident65.8Low62 Ų6277.6 Ų77.627%0.27242%0.424SS..Hα-helixtrans-62.9-48.1175.9179.3-99.3000112P121 E122 P164 R165 L170 Q171 Q172P121-F168 HydrophobicContact CB-CB 3.72Å; P121-F168 HydrophobicContact CB-CD1 3.51Å; P121-F168 HydrophobicContact CB-CD2 4.21Å; P121-F168 HydrophobicContact CB-CE1 4.01Å; P121-F168 HydrophobicContact CB-CG 3.57Å; P121-F168 HydrophobicContact CG-CB 3.74Å; P121-F168 HydrophobicContact CG-CD1 4.39Å; P121-F168 HydrophobicContact CG-CD2 4.35Å; P121-F168 HydrophobicContact CG-CG 3.95Å; P121-F168 WeakPolarHBondContact O-CE1 3.44Å; P121-F168 WeakPolarHBondContact O-CZ 3.3Å; E122-F168 HydrophobicContact CG-CE2 4.48Å; P164-F168 WeakPolarHBondContact O-CB 3.47Å; P164-F168 PolarHBondContact O-N 3.38Å; R165-F168 PolarHBondContact O-N 3.27Å; F168-L170 VanDerWaalsContact C-N 3.26Å; F168-L170 PolarHBondContact O-N 2.96Å; F168-Q171 PolarHBondContact O-N 3.43Å; F168-Q172 HydrophobicContact CE1-CG 4.48Å; F168-Q172 PolarHBondContact O-N 3.11Å
169L73Confident63.9Low47 Ų4787 Ų8725%0.24647%0.465CS..Hα-helixtrans-65.3-28.9178.3-69.9171.9000112.9R165 I166 F187R165-L169 HydrophobicContact CG-CD1 4.16Å; R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.23Å; R165-L169 PolarHBondContact O-N 3.38Å; I166-L169 PolarHBondContact O-N 2.99Å; L169-F187 HydrophobicContact CD1-CB 3.81Å
170L73.4Confident62.1Low95 Ų9593.8 Ų93.850%0.49749%0.493SS..Hα-helixtrans-77.9-23.3173-74.9171.7000113.5F66 I166 Q167 F168 F187F66-L170 HydrophobicContact CD1-CD1 4.34Å; F66-L170 HydrophobicContact CE1-CD1 3.69Å; I166-L170 HydrophobicContact CG2-CD1 3.74Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.33Å; I166-L170 VanDerWaalsContact O-CG 3.22Å; I166-L170 WeakPolarHBondContact O-CG 3.21Å; I166-L170 PolarHBondContact O-N 2.97Å; Q167-L170 PolarHBondContact O-N 2.69Å; F168-L170 VanDerWaalsContact C-N 3.26Å; F168-L170 PolarHBondContact O-N 2.96Å; L170-F187 HydrophobicContact CD1-CE1 4.43Å; L170-F187 HydrophobicContact CD2-CD1 4.37Å; L170-F187 HydrophobicContact CD2-CE1 3.8Å; L170-F187 HydrophobicContact CG-CD1 4.36Å; L170-F187 HydrophobicContact CG-CE1 4.12Å
171Q69.2Low60.2Low129 Ų129100.2 Ų100.260%0.60352%0.524SS*.Hα-helixtrans-89.4-14.7-178.7-78.2179.1-4.600113.8Q167 F168 P173Q167-Q171 HydrophobicContact CG-CG 4.45Å; Q167-Q171 VanDerWaalsContact NE2-NE2 3.18Å; Q167-Q171 WeakPolarHBondContact O-CB 3.48Å; Q167-Q171 WeakPolarHBondContact O-CG 3.14Å; Q167-Q171 PolarHBondContact O-N 3.16Å; F168-Q171 PolarHBondContact O-N 3.43Å; Q171-P173 WeakPolarHBondContact O-CD 2.97Å
172Q63.9Low58.5Low112 Ų112106.5 Ų106.552%0.52356%0.555SS.*  trans-74.6111.5176.2-71.3-166.20.500111.3F168F168-Q172 HydrophobicContact CE1-CG 4.48Å; F168-Q172 PolarHBondContact O-N 3.11Å
173P46.1Very low57Low110 Ų110108 Ų10871%0.71456%0.563SS**  trans-86.1115.9173.329.4-17.9000109.5Q171 Q175Q171-P173 WeakPolarHBondContact O-CD 2.97Å; P173-Q175 PolarHBondContact O-N 3.44Å
174N47.5Very low55.9Low170 Ų170113.3 Ų113.391%0.90959%0.585SS**SBendtrans33.459157.3-68.8-14.6000117
175Q42Very low55.4Low186 Ų186112.2 Ų112.287%0.86958%0.575SS**  trans-120.266.5163-82.2-171.8-4.700110P173P173-Q175 PolarHBondContact O-N 3.44Å
176C33.8Very low54.5Low130 Ų130115.7 Ų115.788%0.87860%0.599SS**SBendtrans-158135.7155.9-105.60000109.5
177D33.4Very low54.3Low150 Ų150116.1 Ų116.180%0.80260%0.601SS**  trans-50.7138.2-171.6-72.9-53.3000113.9K179D177-K179 PolarHBondContact O-N 2.91Å
178S34.3Very low54.3Low127 Ų127115.6 Ų115.689%0.88860%0.595SS**THydrogen-bonded Turntrans-66.935.1-173.246.20000115.9
179K40Very low54.3Low197 Ų197116.2 Ų116.286%0.85760%0.598SS**THydrogen-bonded Turntrans-130.6-4.6177.3-75.1-172.2176.81790116.2D177D177-K179 PolarHBondContact O-N 2.91Å
180Q40.3Very low54.6Low163 Ų163114.4 Ų114.476%0.76259%0.591SS**SBendtrans-139.290.1177.3-75.3-177.7-9.200111
181M37.2Very low55.2Low144 Ų144110.5 Ų110.571%0.70957%0.57SS**  trans176.3108.9145.8-89.9-103.3119.300108.6D183M181-D183 VanDerWaalsContact C-N 3.33Å; M181-D183 HydrophobicContact SD-CB 4.28Å
182L44.8Very low56.1Low150 Ų150104.3 Ų104.379%0.78554%0.542SS*.  trans-925.4169.2-110.9123.1000112.2
183D48.8Very low57.3Low31 Ų3199.2 Ų99.217%0.16652%0.518CS..  trans-96.3116.3-174.8-137.5-7.1000110.1M181 I185 R188 H189M181-D183 VanDerWaalsContact C-N 3.33Å; M181-D183 HydrophobicContact SD-CB 4.28Å; D183-I185 PolarHBondContact O-N 3.05Å; D183-I185 VanDerWaalsContact O-N 3.13Å; D183-R188 IonicContact OD1-CZ 3.8Å; D183-R188 IonicContact OD1-NH1 2.86Å; D183-R188 PolarHBondContact OD1-NH1 3.29Å; D183-H189 IonicContact OD2-CE1 3.42Å
184K54.9Low59.3Low205 Ų20594 Ų9489%0.89148%0.484SS*.SBendtrans-72.1-1.2-172.1-75.6-179.21781760114.6
185I65.8Low61.3Low40 Ų4086 Ų8621%0.20544%0.441CS..  trans-136.4107.5-174.5-53.8175.3000109.4D183 F187 R188 T264D183-I185 PolarHBondContact O-N 3.05Å; D183-I185 VanDerWaalsContact O-N 3.13Å; I185-F187 HydrophobicContact CG2-CD1 4.24Å; I185-F187 HydrophobicContact CG2-CD2 3.9Å; I185-F187 HydrophobicContact CG2-CE1 3.96Å; I185-F187 HydrophobicContact CG2-CE2 3.61Å; I185-F187 HydrophobicContact CG2-CG 4.21Å; I185-F187 HydrophobicContact CG2-CZ 3.64Å; I185-F187 PolarHBondContact O-N 2.98Å; I185-F187 VanDerWaalsContact O-N 3.14Å; I185-R188 HydrophobicContact CB-CB 4.28Å; I185-R188 HydrophobicContact CG2-CB 4.41Å; I185-R188 WeakPolarHBondContact O-CB 3.25Å; I185-R188 PolarHBondContact O-N 3.2Å; I185-T264 HydrophobicContact CD1-CG2 3.36Å
186P64Low63.5Low83 Ų8379.5 Ų79.554%0.53941%0.41SS..THydrogen-bonded Turntrans-67.4-18-171.223.6-31.8000114.6
187F72.7Confident65.9Low13 Ų1373.3 Ų73.36%0.05737%0.368CS..THydrogen-bonded Turntrans-110.716.4-178.253.2-95.2000113.8F66 I68 R165 I166 L169 L170 I185 H189F66-F187 HydrophobicContact CB-CE2 4.36Å; F66-F187 HydrophobicContact CB-CZ 4.34Å; F66-F187 HydrophobicContact CD1-CZ 4.2Å; I68-F187 HydrophobicContact CD1-CE2 4.21Å; R165-F187 PolarHBondContact NH2-O 3.01Å; I166-F187 HydrophobicContact CG1-CB 4.36Å; I166-F187 HydrophobicContact CG1-CD2 4.39Å; I166-F187 HydrophobicContact CG1-CG 4.36Å; I166-F187 HydrophobicContact CG2-CD1 4.32Å; I166-F187 HydrophobicContact CG2-CE1 4.5Å; I166-F187 HydrophobicContact CG2-CG 4.37Å; L169-F187 HydrophobicContact CD1-CB 3.81Å; L170-F187 HydrophobicContact CD1-CE1 4.43Å; L170-F187 HydrophobicContact CD2-CD1 4.37Å; L170-F187 HydrophobicContact CD2-CE1 3.8Å; L170-F187 HydrophobicContact CG-CD1 4.36Å; L170-F187 HydrophobicContact CG-CE1 4.12Å; I185-F187 HydrophobicContact CG2-CD1 4.24Å; I185-F187 HydrophobicContact CG2-CD2 3.9Å; I185-F187 HydrophobicContact CG2-CE1 3.96Å; I185-F187 HydrophobicContact CG2-CE2 3.61Å; I185-F187 HydrophobicContact CG2-CG 4.21Å; I185-F187 HydrophobicContact CG2-CZ 3.64Å; I185-F187 PolarHBondContact O-N 2.98Å; I185-F187 VanDerWaalsContact O-N 3.14Å; F187-H189 PolarHBondContact O-N 3.46Å; F187-H189 VanDerWaalsContact O-N 3.15Å
188R74.9Confident68.3Low84 Ų8466.5 Ų66.532%0.31733%0.331SS..SBendtrans-54.5-34.4-174.7-175.6173.9-179.4177.8-3.4114.2D183 I185 E261 Y262D183-R188 IonicContact OD1-CZ 3.8Å; D183-R188 IonicContact OD1-NH1 2.86Å; D183-R188 PolarHBondContact OD1-NH1 3.29Å; I185-R188 HydrophobicContact CB-CB 4.28Å; I185-R188 HydrophobicContact CG2-CB 4.41Å; I185-R188 WeakPolarHBondContact O-CB 3.25Å; I185-R188 PolarHBondContact O-N 3.2Å; R188-E261 HydrophobicContact CG-CG 4.03Å; R188-E261 IonicContact CZ-OE1 2.7Å; R188-E261 VanDerWaalsContact CZ-OE1 3.23Å; R188-E261 IonicContact NE-OE1 3.43Å; R188-E261 PolarHBondContact NE-OE1 3.24Å; R188-E261 IonicContact NH2-OE1 3.61Å; R188-E261 PolarHBondContact NH2-OE1 2.87Å; R188-E261 WeakPolarHBondContact O-CA 3.04Å; R188-Y262 PolarHBondContact O-N 3.07Å
189H79.6Confident70.2Confident74 Ų7460.8 Ų60.834%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-109144.8179.8-59.390.4000110.7R165 D183 F187R165-H189 PolarHBondContact NH1-O 3.35Å; R165-H189 PolarHBondContact NH2-O 2.77Å; D183-H189 IonicContact OD2-CE1 3.42Å; F187-H189 PolarHBondContact O-N 3.46Å; F187-H189 VanDerWaalsContact O-N 3.15Å
190G79.3Confident71.7Confident10 Ų1052 Ų5210%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-150.2162.7177.100000112.1F260G190-F260 PolarHBondContact N-O 2.99Å; G190-F260 PolarHBondContact O-N 3.34Å
191H86.3Confident72.9Confident12 Ų1247.8 Ų47.86%0.05624%0.239CC..EExtended strand (participates in β ladder)trans-133.6149169.470.7-72.9000110E125 T129 I258 H259E125-H191 IonicContact OE2-CE1 3.1Å; E125-H191 PolarHBondContact OE2-CE1 2.86Å; E125-H191 VanDerWaalsContact OE2-CE1 3.23Å; E125-H191 IonicContact OE2-ND1 3.92Å; E125-H191 PolarHBondContact OE2-ND1 2.77Å; T129-H191 PolarHBondContact OG1-NE2 3.15Å; H191-I258 CarbonylContact C-O 3.28Å; H191-I258 VanDerWaalsContact CA-O 3.23Å; H191-I258 WeakPolarHBondContact CA-O 3.48Å; H191-H259 WeakPolarHBondContact CB-CD2 3.37Å
192V87.7Confident74.2Confident0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-133.8138.1-179.562.20000110.1L54 F116 I118 L158 I257 I258 F260L54-V192 HydrophobicContact CD1-CG1 4.15Å; F116-V192 HydrophobicContact CB-CG2 3.68Å; F116-V192 HydrophobicContact CD1-CG2 4.29Å; F116-V192 HydrophobicContact CG-CG2 4.03Å; I118-V192 HydrophobicContact CD1-CG2 4.35Å; I118-V192 HydrophobicContact CG1-CB 4.28Å; I118-V192 HydrophobicContact CG1-CG2 3.98Å; L158-V192 HydrophobicContact CD1-CB 4.48Å; L158-V192 HydrophobicContact CD1-CG2 4.45Å; V192-I257 WeakPolarHBondContact O-CA 3.4Å; V192-I258 HydrophobicContact CG1-CB 3.83Å; V192-I258 PolarHBondContact N-O 2.86Å; V192-I258 PolarHBondContact O-N 2.83Å; V192-F260 HydrophobicContact CB-CE1 4.14Å; V192-F260 HydrophobicContact CG1-CD1 4.28Å; V192-F260 HydrophobicContact CG1-CE1 4Å
193I89.4Confident75.2Confident5 Ų540.3 Ų40.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-96.2121.4173.2-53.1-178.4000108.1Y117 T129 I132 P254 Y256Y117-I193 HydrophobicContact CD1-CB 4.44Å; Y117-I193 HydrophobicContact CD1-CD1 4.17Å; Y117-I193 PolarHBondContact N-O 3.25Å; Y117-I193 PolarHBondContact O-N 3.29Å; T129-I193 HydrophobicContact CG2-CD1 4.18Å; I132-I193 HydrophobicContact CD1-CD1 4.19Å; I193-P254 HydrophobicContact CG2-CB 3.9Å; I193-Y256 CarbonylContact C-O 3.59Å; I193-Y256 WeakPolarHBondContact CA-O 3.37Å
194V89.4Confident76Confident1 Ų143.2 Ų43.21%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-91.7115.5174.8-173.10000108.3L53 Y114 F116 E255 Y256 I258L53-V194 HydrophobicContact CD2-CG1 4.06Å; Y114-V194 HydrophobicContact CD1-CG1 4Å; F116-V194 HydrophobicContact CD1-CG1 4.47Å; F116-V194 HydrophobicContact CD1-CG2 4.1Å; F116-V194 HydrophobicContact CE1-CG1 4.4Å; F116-V194 HydrophobicContact CE1-CG2 4.1Å; V194-E255 PolarHBondContact O-N 3.06Å; V194-Y256 HydrophobicContact CB-CD2 4.27Å; V194-Y256 HydrophobicContact CG1-CD2 4.38Å; V194-Y256 PolarHBondContact N-O 2.73Å; V194-Y256 PolarHBondContact O-N 3.47Å; V194-I258 HydrophobicContact CG2-CD1 3.72Å; V194-I258 HydrophobicContact CG2-CG1 4.24Å
195C88.8Confident76.5Confident0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-108.3135.1-177.3-58.10000110.3Y114 L115 L154 V197 I252 L253Y114-C195 WeakPolarHBondContact CA-O 3.43Å; L115-C195 PolarHBondContact N-O 2.63Å; L115-C195 PolarHBondContact O-N 3.08Å; L154-C195 HydrophobicContact CD2-CB 4.35Å; C195-V197 HydrophobicContact CB-CG2 3.98Å; C195-I252 HydrophobicContact CB-CG2 3.77Å; C195-L253 CarbonylContact C-O 3.41Å; C195-L253 VanDerWaalsContact CA-O 3.32Å; C195-L253 WeakPolarHBondContact CA-O 3.39Å
196K88.4Confident75.9Confident50 Ų5038.5 Ų38.522%0.21722%0.219CC..EExtended strand (participates in β ladder)trans-84.6122.3165.8-178.2176.3179.1-178.50108.9Y114 L253 E255Y114-K196 HydrophobicContact CD1-CB 4.19Å; Y114-K196 HydrophobicContact CE1-CB 3.82Å; Y114-K196 HydrophobicContact CE1-CD 4.44Å; Y114-K196 HydrophobicContact CE1-CG 4.25Å; K196-L253 HydrophobicContact CB-CB 4.36Å; K196-L253 PolarHBondContact N-O 3.05Å; K196-L253 PolarHBondContact O-N 2.97Å; K196-E255 HydrophobicContact CB-CG 4.25Å; K196-E255 WeakPolarHBondContact CD-OE1 3.44Å; K196-E255 IonicContact NZ-OE1 3.47Å
197V85.1Confident75.5Confident0 Ų036.8 Ų36.80%022%0.217CC..EExtended strand (participates in β ladder)trans-128.9133.7-167.2179.70000109.5L112 E113 L115 L154 C195 V199 V246 L251 I252L112-V197 WeakPolarHBondContact CA-O 3.23Å; E113-V197 PolarHBondContact N-O 3.28Å; E113-V197 PolarHBondContact O-N 2.94Å; L115-V197 HydrophobicContact CB-CG2 4.32Å; L115-V197 HydrophobicContact CD1-CB 4.25Å; L115-V197 HydrophobicContact CD1-CG1 4.31Å; L115-V197 HydrophobicContact CD1-CG2 4.22Å; L115-V197 HydrophobicContact CG-CG2 4.42Å; L154-V197 HydrophobicContact CD1-CG1 4.27Å; L154-V197 HydrophobicContact CD1-CG2 3.62Å; C195-V197 HydrophobicContact CB-CG2 3.98Å; V197-V199 HydrophobicContact CG1-CG2 4.24Å; V197-V246 HydrophobicContact CG1-CG2 3.84Å; V197-L251 WeakPolarHBondContact CA-O 3.08Å; V197-I252 HydrophobicContact CG2-CG2 4.15Å
198F83.5Confident74.4Confident7 Ų743.7 Ų43.73%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-89.9107.2168.8-175.9-106000109.9F88 L92 R111 L112 L251F88-F198 HydrophobicContact CE2-CB 4.35Å; F88-F198 HydrophobicContact CZ-CB 4.31Å; L92-F198 HydrophobicContact CD1-CB 4.34Å; L92-F198 HydrophobicContact CD1-CD1 3.99Å; L92-F198 HydrophobicContact CD1-CD2 3.48Å; L92-F198 VanDerWaalsContact CD1-CD2 3.48Å; L92-F198 HydrophobicContact CD1-CE1 4.1Å; L92-F198 HydrophobicContact CD1-CE2 3.61Å; L92-F198 HydrophobicContact CD1-CG 3.67Å; L92-F198 HydrophobicContact CD1-CZ 3.91Å; R111-F198 HydrophobicContact CB-CD2 4.21Å; R111-F198 HydrophobicContact CB-CE2 3.74Å; R111-F198 HydrophobicContact CB-CZ 4.42Å; L112-F198 HydrophobicContact CD2-CB 4.03Å; L112-F198 HydrophobicContact CD2-CD2 4Å; L112-F198 HydrophobicContact CG-CD2 4.44Å; F198-L251 HydrophobicContact CB-CB 4.38Å; F198-L251 HydrophobicContact CB-CD2 4.29Å; F198-L251 HydrophobicContact CD1-CD1 4.29Å; F198-L251 HydrophobicContact CD1-CD2 4.21Å; F198-L251 PolarHBondContact N-O 2.85Å; F198-L251 VanDerWaalsContact N-O 3.11Å
199V72.7Confident73.3Confident7 Ų745.2 Ų45.24%0.04227%0.268CS..  trans-80.8-25.3-172.2179.50000111.7R111 E113 V197 S221R111-V199 PolarHBondContact O-N 2.91Å; E113-V199 HydrophobicContact CB-CG2 4.06Å; E113-V199 HydrophobicContact CG-CG2 4.05Å; V197-V199 HydrophobicContact CG1-CG2 4.24Å; V199-S221 WeakPolarHBondContact CG1-OG 3.42Å; V199-S221 PolarHBondContact O-OG 2.8Å
200G71.7Confident72Confident13 Ų1346.6 Ų46.613%0.13428%0.283CS..  trans57.8-144.3176.600000113.3S202G200-S202 PolarHBondContact O-N 3.18Å
201N66.2Low70.8Confident74 Ų7448 Ų4840%0.39629%0.29SS..SBendtrans-80.589.7171.2-64.3-31.5000109.4
202S63.6Low69.1Low45 Ų4551.6 Ų51.632%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-78.9131.7178.353.90000111.9G200 S221G200-S202 PolarHBondContact O-N 3.18Å; S202-S221 WeakPolarHBondContact CA-O 3.3Å; S202-S221 WeakPolarHBondContact CB-OG 3.38Å
203L67.4Low67.3Low93 Ų9359.3 Ų59.349%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-99.9123.1176.2-142.7125.9000110.2V219 S221 L222 E223L203-V219 HydrophobicContact CB-CG1 4.23Å; L203-V219 HydrophobicContact CD1-CG2 4.09Å; L203-S221 PolarHBondContact N-O 3.33Å; L203-L222 HydrophobicContact CB-CD2 3.78Å; L203-E223 PolarHBondContact O-N 3.49Å
204P65.3Low65Low92 Ų9263.6 Ų63.660%0.59738%0.38SS*.EExtended strand (participates in β ladder)trans-73.6128.1176.328.6-32.1000110.1E223P204-E223 WeakPolarHBondContact CA-O 3.25Å
205V64.6Low63Low37 Ų3767.1 Ų67.122%0.22442%0.416CS..  trans-108.1116.9177.4-1760000110.3L222 E223V205-L222 HydrophobicContact CG2-CB 4.19Å; V205-L222 HydrophobicContact CG2-CD1 4.13Å; V205-L222 HydrophobicContact CG2-CD2 3.79Å; V205-L222 HydrophobicContact CG2-CG 4.25Å; V205-E223 PolarHBondContact N-O 2.82Å
206P53.5Low60.9Low108 Ų10870 Ų7070%0.70144%0.436SS*.  trans-81.5127.8172.514.6-3.8000111.8
207G55.6Low59Low48 Ų4874 Ų7450%0.49547%0.467SS..SBendtrans85.6172.9166.100000117L209 R224G207-L209 PolarHBondContact O-N 3.08Å; G207-R224 PolarHBondContact O-NE 3.49Å; G207-R224 PolarHBondContact O-NH2 3.44Å
208D50.5Low57.5Low157 Ų15778 Ų7884%0.8449%0.494SS*.SBendtrans-71.225.4-172.3-78.3-33.7000115.8R224D208-R224 VanDerWaalsContact CA-NH2 3.27Å
209L51.3Low56.2Low116 Ų11679.6 Ų79.661%0.60750%0.504SS*.  trans-63.7144.8174.9-79.6149.8000111.5G207 R224G207-L209 PolarHBondContact O-N 3.08Å; L209-R224 PolarHBondContact O-NH2 2.92Å; L209-R224 VanDerWaalsContact O-NH2 3.08Å
210P52.1Low55.3Low104 Ų10480.5 Ų80.568%0.67551%0.511SS*.  trans-64.2134.517525-30.7000110.2S212P210-S212 VanDerWaalsContact C-N 3.27Å; P210-S212 PolarHBondContact O-N 2.94Å
211V54.4Low55Low39 Ų3979.9 Ų79.924%0.23650%0.504CS..  trans-73.182.4177.1-1770000108.1L222 F245 F247V211-L222 HydrophobicContact CG1-CD1 4.03Å; V211-F245 HydrophobicContact CG2-CD2 4.5Å; V211-F247 HydrophobicContact CG1-CE1 4.09Å; V211-F247 HydrophobicContact CG1-CZ 4.14Å
212S50.7Low54.9Low88 Ų8877.2 Ų77.262%0.61549%0.49SS*.  trans-100.8139.2170.544.90000110P210 C214P210-S212 VanDerWaalsContact C-N 3.27Å; P210-S212 PolarHBondContact O-N 2.94Å; S212-C214 PolarHBondContact O-N 2.84Å
213F49.3Very low55.1Low162 Ų16276.3 Ų76.371%0.71148%0.481SS*.  trans-48.1108.8179.6-162.7-92.1000110.2
214C42Very low55.2Low95 Ų9573.7 Ų73.764%0.64246%0.464SS*.  trans-79.6121.9171.8-157.10000106.8S212 S216S212-C214 PolarHBondContact O-N 2.84Å; C214-S216 PolarHBondContact O-N 2.78Å
215G46.9Very low55.1Low74 Ų7473.5 Ų73.576%0.76346%0.463SS*.  trans-69.146.6-173.600000115.1
216S45Very low54.8Low60 Ų6075.1 Ų75.142%0.4247%0.467SS..  trans-106.3119.9176.6-56.30000109.7C214 C218C214-S216 PolarHBondContact O-N 2.78Å; S216-C218 PolarHBondContact O-N 2.94Å
217P47.8Very low54.6Low135 Ų13575.7 Ų75.788%0.87747%0.474SS*.THydrogen-bonded Turntrans-70.3-3.8-170.725.5-32.6000115.3
218C52.9Low53.7Low85 Ų8576.5 Ų76.557%0.57448%0.476SS*.THydrogen-bonded Turntrans-117.87.6-172.8-56.40000115.2S216S216-C218 PolarHBondContact O-N 2.94Å
219V56.1Low53.1Low40 Ų4080.7 Ų80.724%0.24248%0.48CS..  trans-100.4112.8-179.2-179.60000110.2L203 S221 L222L203-V219 HydrophobicContact CB-CG1 4.23Å; L203-V219 HydrophobicContact CD1-CG2 4.09Å; V219-S221 WeakPolarHBondContact CG1-O 3.35Å; V219-L222 HydrophobicContact CG1-CD2 4.25Å
220C54.7Low52.1Low26 Ų2683.4 Ų83.418%0.17649%0.491CS..  trans-88.7-26.9-176.6-61.90000113.2L251C220-L251 HydrophobicContact CB-CD1 4.16Å
221S66.2Low51.2Low0 Ų083.6 Ų83.60%049%0.493CS..EExtended strand (participates in β ladder)trans-150.9152.9-178.466.50000112.3V199 S202 L203 V219 F245V199-S221 WeakPolarHBondContact CG1-OG 3.42Å; V199-S221 PolarHBondContact O-OG 2.8Å; S202-S221 WeakPolarHBondContact CA-O 3.3Å; S202-S221 WeakPolarHBondContact CB-OG 3.38Å; L203-S221 PolarHBondContact N-O 3.33Å; V219-S221 WeakPolarHBondContact CG1-O 3.35Å; S221-F245 WeakPolarHBondContact CA-O 3.14Å
222L63.3Low50.4Low18 Ų1893.9 Ų93.99%0.09453%0.527CS..EExtended strand (participates in β ladder)trans-107.4133.2167.4-66.3175000110L203 V205 V211 V219 W244 F245 F247L203-L222 HydrophobicContact CB-CD2 3.78Å; V205-L222 HydrophobicContact CG2-CB 4.19Å; V205-L222 HydrophobicContact CG2-CD1 4.13Å; V205-L222 HydrophobicContact CG2-CD2 3.79Å; V205-L222 HydrophobicContact CG2-CG 4.25Å; V211-L222 HydrophobicContact CG1-CD1 4.03Å; V219-L222 HydrophobicContact CG1-CD2 4.25Å; L222-W244 WeakPolarHBondContact O-CA 3.43Å; L222-F245 HydrophobicContact CB-CB 4.47Å; L222-F245 PolarHBondContact N-O 2.94Å; L222-F245 PolarHBondContact O-N 2.96Å; L222-F247 HydrophobicContact CD1-CE2 3.97Å; L222-F247 HydrophobicContact CD1-CZ 3.55Å; L222-F247 HydrophobicContact CG-CE2 3.77Å; L222-F247 HydrophobicContact CG-CZ 3.87Å
223E68.1Low49.4Very low25 Ų2595 Ų9512%0.11754%0.535CS..EExtended strand (participates in β ladder)trans-103.1128.7177.9-164.9-165.3137.300110.3L203 P204 V205 R242L203-E223 PolarHBondContact O-N 3.49Å; P204-E223 WeakPolarHBondContact CA-O 3.25Å; V205-E223 PolarHBondContact N-O 2.82Å; E223-R242 HydrophobicContact CG-CB 4.38Å; E223-R242 HydrophobicContact CG-CG 4.48Å; E223-R242 WeakPolarHBondContact OE1-CD 3.15Å; E223-R242 VanDerWaalsContact OE1-CG 3.24Å; E223-R242 WeakPolarHBondContact OE1-CG 3.38Å; E223-R242 IonicContact OE1-CZ 3.15Å; E223-R242 IonicContact OE1-NE 2.63Å; E223-R242 PolarHBondContact OE1-NE 2.99Å; E223-R242 IonicContact OE1-NH1 2.79Å; E223-R242 PolarHBondContact OE1-NH1 2.97Å; E223-R242 IonicContact OE1-NH2 3.83Å; E223-R242 IonicContact OE2-CZ 3.89Å; E223-R242 IonicContact OE2-NH1 3.99Å; E223-R242 PolarHBondContact OE2-NH1 3.47Å
224R70Confident48.4Very low38 Ų3892.2 Ų92.214%0.14354%0.542CS..EExtended strand (participates in β ladder)trans-120.5122.1175.5-163.9-177.2-133.4163.414.9111.1G207 D208 L209 Q243 F245G207-R224 PolarHBondContact O-NE 3.49Å; G207-R224 PolarHBondContact O-NH2 3.44Å; D208-R224 VanDerWaalsContact CA-NH2 3.27Å; L209-R224 PolarHBondContact O-NH2 2.92Å; L209-R224 VanDerWaalsContact O-NH2 3.08Å; R224-Q243 PolarHBondContact N-O 2.95Å; R224-Q243 PolarHBondContact O-N 3.29Å; R224-F245 HydrophobicContact CB-CE2 4.19Å
225P62.2Low48.3Very low88 Ų8897.5 Ų97.557%0.57156%0.557SS**EExtended strand (participates in β ladder)trans-74.8126.5166.728.3-29.7000109.7
226K57.8Low47.5Very low71 Ų7197.7 Ų97.731%0.30956%0.559SS.*  trans-101.5118.1175.3-93.8-176.4165.7173.10110.4V160V160-K226 HydrophobicContact CG1-CD 3.65Å
227S48.8Very low46.9Very low121 Ų12196.9 Ų96.985%0.84656%0.56SS**  trans-98.3111.3165.7-179.50000108.5
228A38.2Very low46.5Very low64 Ų6499.1 Ų99.153%0.52956%0.564SS.*  trans-75.2127.6172.600000108.9M230A228-M230 PolarHBondContact O-N 3.22Å; A228-M230 VanDerWaalsContact O-N 3.09Å
229R37.6Very low46.1Very low245 Ų245101.8 Ų101.893%0.92557%0.567SS**SBendtrans-60.6107.1167.3-78.4176.3170.5174.6-2.7109.2
230M29.5Very low46Very low173 Ų173105.6 Ų105.685%0.85258%0.583SS**SBendtrans175.4161.9145.4-93.6-60.113900110A228A228-M230 PolarHBondContact O-N 3.22Å; A228-M230 VanDerWaalsContact O-N 3.09Å
231P32.8Very low46.6Very low108 Ų108108.7 Ų108.770%0.70159%0.59SS**  -78.9151.6-129.531.9-34.7000115.7S233P231-S233 PolarHBondContact O-N 3.16Å
232R37.6Very low47Very low255 Ų255112.8 Ų112.896%0.96261%0.606SS**  trans-50.8112.9175.2-70.9177.4171.9172.2-3.5111.5
233S29.6Very low47.8Very low113 Ų113113.1 Ų113.179%0.7961%0.607SS**  trans-154.5139.9147.7580000110.4P231P231-S233 PolarHBondContact O-N 3.16Å
234A29.1Very low48.3Very low102 Ų102112 Ų11284%0.84360%0.602SS**  trans74105.3178.100000117G236A234-G236 PolarHBondContact O-N 3.46Å
235E39.3Very low48.8Very low206 Ų206110.8 Ų110.896%0.96360%0.597SS**  trans-56.8119.7166.5-67.5173.8143.200110.7
236G29.9Very low49.6Very low78 Ų78106.6 Ų106.680%0.80457%0.57SS**  trans164.286.9175.300000113.2A234A234-G236 PolarHBondContact O-N 3.46Å
237G33.4Very low50.2Low43 Ų43104.8 Ų104.844%0.44356%0.563SS.*  trans9571.8157.500000117.6H239G237-H239 PolarHBondContact O-N 2.67Å
238L39.9Very low51.5Low182 Ų182100.9 Ų100.995%0.95353%0.532SS*.THydrogen-bonded Turntrans-64.21.4162.7-121.690.3000113.7
239H44.7Very low53.4Low141 Ų14199.9 Ų99.965%0.65352%0.517SS*.THydrogen-bonded Turntrans-94.4-5-170.3-70.4-73.5000115.5G237G237-H239 PolarHBondContact O-N 2.67Å
240H53.1Low55.4Low121 Ų12191.5 Ų91.556%0.5649%0.488SS*.SBendtrans-106.95.1-165.2-65.4-59.7000117.1N156N156-H240 PolarHBondContact OD1-O 3.02Å
241R67.6Low58Low90 Ų9083.3 Ų83.334%0.3445%0.448SS..  trans-129.496.3-175.5-58.4177.7-154.6-157.9-1112.4D62 V160D62-R241 VanDerWaalsContact CG-NH2 3.33Å; D62-R241 IonicContact OD1-CZ 3.63Å; D62-R241 IonicContact OD1-NH1 3.05Å; D62-R241 PolarHBondContact OD1-NH1 3.13Å; D62-R241 IonicContact OD1-NH2 2.94Å; D62-R241 PolarHBondContact OD1-NH2 3.37Å; D62-R241 IonicContact OD2-CZ 3.98Å; D62-R241 IonicContact OD2-NE 2.83Å; D62-R241 IonicContact OD2-NH1 3.68Å; D62-R241 IonicContact OD2-NH2 3.48Å; D62-R241 PolarHBondContact OD2-NH2 2.98Å; V160-R241 HydrophobicContact CG2-CB 4.47Å
242R74.1Confident60.5Low87 Ų8778.6 Ų78.633%0.32842%0.416SS..EExtended strand (participates in β ladder)trans-128.2140.9-177.3-67.8168.4176.2-132.5-12.8109.7S155 N156 E223 W244S155-R242 WeakPolarHBondContact CA-O 3.32Å; S155-R242 WeakPolarHBondContact CB-O 3.44Å; S155-R242 PolarHBondContact OG-O 2.88Å; N156-R242 PolarHBondContact N-O 3.21Å; N156-R242 PolarHBondContact OD1-N 3.43Å; N156-R242 PolarHBondContact OD1-O 3.38Å; E223-R242 HydrophobicContact CG-CB 4.38Å; E223-R242 HydrophobicContact CG-CG 4.48Å; E223-R242 WeakPolarHBondContact OE1-CD 3.15Å; E223-R242 VanDerWaalsContact OE1-CG 3.24Å; E223-R242 WeakPolarHBondContact OE1-CG 3.38Å; E223-R242 IonicContact OE1-CZ 3.15Å; E223-R242 IonicContact OE1-NE 2.63Å; E223-R242 PolarHBondContact OE1-NE 2.99Å; E223-R242 IonicContact OE1-NH1 2.79Å; E223-R242 PolarHBondContact OE1-NH1 2.97Å; E223-R242 IonicContact OE1-NH2 3.83Å; E223-R242 IonicContact OE2-CZ 3.89Å; E223-R242 IonicContact OE2-NH1 3.99Å; E223-R242 PolarHBondContact OE2-NH1 3.47Å; R242-W244 HydrophobicContact CB-CE3 4.07Å; R242-W244 HydrophobicContact CB-CH2 3.34Å; R242-W244 HydrophobicContact CB-CZ2 3.84Å; R242-W244 HydrophobicContact CB-CZ3 3.42Å; R242-W244 VanDerWaalsContact CB-CZ3 3.42Å; R242-W244 HydrophobicContact CG-CH2 4.25Å; R242-W244 VanDerWaalsContact O-CZ3 3.24Å; R242-W244 WeakPolarHBondContact O-CZ3 3.4Å
243Q79.8Confident63Low24 Ų2467 Ų6711%0.11237%0.373CS..EExtended strand (participates in β ladder)trans-118.9127.1171-170.9172.816.700108.6L154 V160 R224 F245L154-Q243 CarbonylContact O-C 3.51Å; L154-Q243 WeakPolarHBondContact O-CA 3.34Å; L154-Q243 WeakPolarHBondContact O-CG 3.23Å; V160-Q243 HydrophobicContact CG1-CB 4.42Å; R224-Q243 PolarHBondContact N-O 2.95Å; R224-Q243 PolarHBondContact O-N 3.29Å; Q243-F245 HydrophobicContact CG-CE2 4.21Å; Q243-F245 HydrophobicContact CG-CZ 4.15Å
244W80.1Confident65.8Low1 Ų161.8 Ų61.80%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-101.4139.6176.6-68.1-99.6000109.9E113 L115 P153 L154 N156 L222 R242E113-W244 VanDerWaalsContact OE2-CZ2 3.26Å; E113-W244 WeakPolarHBondContact OE2-CZ2 3.43Å; L115-W244 HydrophobicContact CD1-CB 4.05Å; L115-W244 HydrophobicContact CD1-CD2 3.77Å; L115-W244 HydrophobicContact CD1-CE3 3.75Å; L115-W244 HydrophobicContact CD1-CG 3.93Å; L115-W244 HydrophobicContact CD1-CZ3 4.41Å; L115-W244 HydrophobicContact CD2-CD2 4.2Å; L115-W244 HydrophobicContact CD2-CE3 3.6Å; L115-W244 HydrophobicContact CD2-CH2 3.78Å; L115-W244 HydrophobicContact CD2-CZ2 4.39Å; L115-W244 HydrophobicContact CD2-CZ3 3.39Å; L115-W244 HydrophobicContact CG-CE3 4.33Å; P153-W244 WeakPolarHBondContact CA-O 3.22Å; L154-W244 PolarHBondContact N-O 3.42Å; L154-W244 PolarHBondContact O-N 3.5Å; N156-W244 HydrophobicContact CB-CH2 3.73Å; N156-W244 HydrophobicContact CB-CZ3 3.56Å; N156-W244 WeakPolarHBondContact ND2-CH2 3.33Å; L222-W244 WeakPolarHBondContact O-CA 3.43Å; R242-W244 HydrophobicContact CB-CE3 4.07Å; R242-W244 HydrophobicContact CB-CH2 3.34Å; R242-W244 HydrophobicContact CB-CZ2 3.84Å; R242-W244 HydrophobicContact CB-CZ3 3.42Å; R242-W244 VanDerWaalsContact CB-CZ3 3.42Å; R242-W244 HydrophobicContact CG-CH2 4.25Å; R242-W244 VanDerWaalsContact O-CZ3 3.24Å; R242-W244 WeakPolarHBondContact O-CZ3 3.4Å
245F79.4Confident68.6Low13 Ų1358.3 Ų58.36%0.05730%0.303CS..EExtended strand (participates in β ladder)trans-112105169.2-64.2-83.8000107.3A151 P153 V211 S221 L222 R224 Q243A151-F245 HydrophobicContact CB-CB 3.88Å; A151-F245 HydrophobicContact CB-CD1 4.41Å; P153-F245 HydrophobicContact CB-CD1 4.41Å; P153-F245 HydrophobicContact CB-CE1 4.12Å; V211-F245 HydrophobicContact CG2-CD2 4.5Å; S221-F245 WeakPolarHBondContact CA-O 3.14Å; L222-F245 HydrophobicContact CB-CB 4.47Å; L222-F245 PolarHBondContact N-O 2.94Å; L222-F245 PolarHBondContact O-N 2.96Å; R224-F245 HydrophobicContact CB-CE2 4.19Å; Q243-F245 HydrophobicContact CG-CE2 4.21Å; Q243-F245 HydrophobicContact CG-CZ 4.15Å
246V78.5Confident71Confident0 Ų049.6 Ų49.60%026%0.262CS..EExtended strand (participates in β ladder)trans-95.7124.6179.9-177.60000108.4A151 V152 L154 V197 D248 I252A151-V246 WeakPolarHBondContact CA-O 3.47Å; V152-V246 PolarHBondContact N-O 3.06Å; V152-V246 PolarHBondContact O-N 2.96Å; V152-V246 VanDerWaalsContact O-N 3.1Å; L154-V246 HydrophobicContact CD1-CB 4.47Å; L154-V246 HydrophobicContact CD1-CG2 3.87Å; V197-V246 HydrophobicContact CG1-CG2 3.84Å; V246-D248 WeakPolarHBondContact CG1-O 3.28Å; V246-I252 HydrophobicContact CB-CD1 3.95Å; V246-I252 HydrophobicContact CB-CG1 4.33Å; V246-I252 HydrophobicContact CG1-CD1 3.91Å; V246-I252 HydrophobicContact CG1-CG1 3.9Å
247F71.9Confident73.7Confident34 Ų3446 Ų4615%0.14922%0.224CC..SBendtrans-87.5-28.9-175.7-61.5-70.4000113.1T140 A151 V211 L222T140-F247 WeakPolarHBondContact CG2-O 3.43Å; A151-F247 HydrophobicContact CB-CD1 3.61Å; A151-F247 HydrophobicContact CB-CE1 3.73Å; A151-F247 HydrophobicContact CB-CG 4.48Å; V211-F247 HydrophobicContact CG1-CE1 4.09Å; V211-F247 HydrophobicContact CG1-CZ 4.14Å; L222-F247 HydrophobicContact CD1-CE2 3.97Å; L222-F247 HydrophobicContact CD1-CZ 3.55Å; L222-F247 HydrophobicContact CG-CE2 3.77Å; L222-F247 HydrophobicContact CG-CZ 3.87Å
248D75Confident76.3Confident39 Ų3944 Ų4421%0.20920%0.203CC..  trans-101.3108.6177.7-161.7-14.4000110.8K91 V246 E250 L251K91-D248 VanDerWaalsContact CE-OD2 3.32Å; K91-D248 WeakPolarHBondContact CE-OD2 3.28Å; K91-D248 IonicContact NZ-OD2 2.76Å; K91-D248 PolarHBondContact NZ-OD2 2.98Å; V246-D248 WeakPolarHBondContact CG1-O 3.28Å; D248-E250 PolarHBondContact O-N 2.77Å; D248-E250 PolarHBondContact OD1-N 3.27Å; D248-L251 HydrophobicContact CB-CD1 4.12Å; D248-L251 HydrophobicContact CB-CG 4.21Å; D248-L251 PolarHBondContact O-N 3.42Å
249H77.7Confident78.5Confident43 Ų4337 Ų3720%0.19917%0.165CC..G310 helixtrans-57.7-26174.964.7-48.3000114.4F137 T139 L251 I252F137-H249 HydrophobicContact CB-CB 3.88Å; F137-H249 WeakPolarHBondContact O-CB 3.43Å; F137-H249 PolarHBondContact O-CD2 2.78Å; T139-H249 WeakPolarHBondContact CG2-NE2 3.18Å; H249-L251 PolarHBondContact O-N 2.89Å; H249-I252 PolarHBondContact O-N 2.73Å
250E81.1Confident80.5Confident68 Ų6830.3 Ų30.332%0.31813%0.134SC..G310 helixtrans-72.5-15.6179.5-67.6174.8178.200112.6F88 K91 D248 I252F88-E250 WeakPolarHBondContact CA-O 3.22Å; F88-E250 WeakPolarHBondContact CD2-O 3.36Å; K91-E250 HydrophobicContact CB-CB 4.22Å; K91-E250 HydrophobicContact CG-CB 4.04Å; K91-E250 WeakPolarHBondContact CG-OE2 3.34Å; K91-E250 IonicContact NZ-OE2 2.73Å; K91-E250 PolarHBondContact NZ-OE2 2.93Å; D248-E250 PolarHBondContact O-N 2.77Å; D248-E250 PolarHBondContact OD1-N 3.27Å; E250-I252 VanDerWaalsContact C-N 3.27Å; E250-I252 PolarHBondContact O-N 2.9Å
251L83.2Confident82Confident2 Ų225.7 Ų25.71%0.0111%0.113CC..G310 helixtrans-90.814.8176.5-62.4178.7000113.2F88 K91 L95 V197 F198 C220 D248 H249F88-L251 WeakPolarHBondContact CE2-O 3.26Å; K91-L251 HydrophobicContact CG-CD2 4.04Å; L95-L251 HydrophobicContact CD1-CD1 4.03Å; L95-L251 HydrophobicContact CD1-CD2 3.8Å; L95-L251 HydrophobicContact CD1-CG 4.48Å; V197-L251 WeakPolarHBondContact CA-O 3.08Å; F198-L251 HydrophobicContact CB-CB 4.38Å; F198-L251 HydrophobicContact CB-CD2 4.29Å; F198-L251 HydrophobicContact CD1-CD1 4.29Å; F198-L251 HydrophobicContact CD1-CD2 4.21Å; F198-L251 PolarHBondContact N-O 2.85Å; F198-L251 VanDerWaalsContact N-O 3.11Å; C220-L251 HydrophobicContact CB-CD1 4.16Å; D248-L251 HydrophobicContact CB-CD1 4.12Å; D248-L251 HydrophobicContact CB-CG 4.21Å; D248-L251 PolarHBondContact O-N 3.42Å; H249-L251 PolarHBondContact O-N 2.89Å
252I86.3Confident82.8Confident9 Ų921.6 Ų21.65%0.04610%0.097CC..EExtended strand (participates in β ladder)trans-126.8119-178.9-50.3171.2000108.5F137 V152 L154 C195 V197 V246 H249 E250F137-I252 HydrophobicContact CD2-CB 3.97Å; F137-I252 HydrophobicContact CD2-CD1 4.4Å; F137-I252 HydrophobicContact CD2-CG2 3.64Å; F137-I252 HydrophobicContact CE2-CB 4.18Å; F137-I252 HydrophobicContact CE2-CG2 3.33Å; F137-I252 HydrophobicContact CZ-CG2 4.1Å; V152-I252 HydrophobicContact CB-CD1 3.74Å; V152-I252 HydrophobicContact CG1-CD1 3.97Å; V152-I252 HydrophobicContact CG2-CD1 3.86Å; L154-I252 HydrophobicContact CD1-CD1 4Å; L154-I252 HydrophobicContact CD1-CG1 4.26Å; L154-I252 HydrophobicContact CD1-CG2 4.32Å; C195-I252 HydrophobicContact CB-CG2 3.77Å; V197-I252 HydrophobicContact CG2-CG2 4.15Å; V246-I252 HydrophobicContact CB-CD1 3.95Å; V246-I252 HydrophobicContact CB-CG1 4.33Å; V246-I252 HydrophobicContact CG1-CD1 3.91Å; V246-I252 HydrophobicContact CG1-CG1 3.9Å; H249-I252 PolarHBondContact O-N 2.73Å; E250-I252 VanDerWaalsContact C-N 3.27Å; E250-I252 PolarHBondContact O-N 2.9Å
253L88.6Confident83.1Confident10 Ų1020.9 Ų20.95%0.05210%0.1CC..EExtended strand (participates in β ladder)trans-116.2112.6177.7-178.965.7000110.2L84 R85 F88 C195 K196 E255L84-L253 HydrophobicContact CB-CD1 3.99Å; R85-L253 HydrophobicContact CB-CD1 4.24Å; R85-L253 HydrophobicContact CB-CD2 4.42Å; R85-L253 HydrophobicContact CG-CD2 4.33Å; F88-L253 HydrophobicContact CD2-CB 4.08Å; F88-L253 HydrophobicContact CG-CB 4.2Å; C195-L253 CarbonylContact C-O 3.41Å; C195-L253 VanDerWaalsContact CA-O 3.32Å; C195-L253 WeakPolarHBondContact CA-O 3.39Å; K196-L253 HydrophobicContact CB-CB 4.36Å; K196-L253 PolarHBondContact N-O 3.05Å; K196-L253 PolarHBondContact O-N 2.97Å; L253-E255 HydrophobicContact CD2-CG 4.21Å; L253-E255 HydrophobicContact CG-CG 4.2Å; L253-E255 PolarHBondContact O-N 3.5Å
254P89.7Confident82.8Confident4 Ų421.7 Ų21.73%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-72.4119.9173.629.3-33.2000110.2I79 L84 I132 I193I79-P254 HydrophobicContact CD1-CB 4.1Å; L84-P254 HydrophobicContact CD1-CG 4.2Å; I132-P254 HydrophobicContact CG2-CB 4.23Å; I132-P254 HydrophobicContact CG2-CG 4Å; I193-P254 HydrophobicContact CG2-CB 3.9Å
255E86.8Confident81.6Confident30 Ų3026.3 Ų26.314%0.1413%0.134CC..EExtended strand (participates in β ladder)trans-112.9-31.2-177.6-71.8-165171.200113.5I79 Y114 V194 K196 L253I79-E255 PolarHBondContact N-O 3.42Å; Y114-E255 WeakPolarHBondContact CE1-OE2 3.24Å; Y114-E255 PolarHBondContact OH-OE2 2.9Å; V194-E255 PolarHBondContact O-N 3.06Å; K196-E255 HydrophobicContact CB-CG 4.25Å; K196-E255 WeakPolarHBondContact CD-OE1 3.44Å; K196-E255 IonicContact NZ-OE1 3.47Å; L253-E255 HydrophobicContact CD2-CG 4.21Å; L253-E255 HydrophobicContact CG-CG 4.2Å; L253-E255 PolarHBondContact O-N 3.5Å
256Y89.4Confident80.1Confident23 Ų2330.6 Ų30.69%0.0916%0.161CC..EExtended strand (participates in β ladder)trans-139.1148.4-177.9-48.5-88.4000112.7W46 C50 F77 R78 Y114 I193 V194W46-Y256 HydrophobicContact CE3-CD1 4.24Å; W46-Y256 AromaticContact CE3-CE1 3.9Å; W46-Y256 HydrophobicContact CE3-CE1 3.9Å; W46-Y256 HydrophobicContact CZ3-CD1 4.39Å; W46-Y256 HydrophobicContact CZ3-CE1 4.42Å; C50-Y256 VanDerWaalsContact SG-CD1 3.57Å; F77-Y256 CarbonylContact O-C 3.54Å; F77-Y256 VanDerWaalsContact O-CA 3.24Å; F77-Y256 WeakPolarHBondContact O-CA 3.18Å; R78-Y256 HydrophobicContact CB-CD1 4.11Å; R78-Y256 HydrophobicContact CB-CE1 4.16Å; R78-Y256 HydrophobicContact CG-CD1 4.07Å; R78-Y256 HydrophobicContact CG-CE1 3.73Å; Y114-Y256 HydrophobicContact CE1-CE2 4.41Å; I193-Y256 CarbonylContact C-O 3.59Å; I193-Y256 WeakPolarHBondContact CA-O 3.37Å; V194-Y256 HydrophobicContact CB-CD2 4.27Å; V194-Y256 HydrophobicContact CG1-CD2 4.38Å; V194-Y256 PolarHBondContact N-O 2.73Å; V194-Y256 PolarHBondContact O-N 3.47Å
257I88.3Confident78Confident1 Ų136.1 Ų36.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-118.6124.3168.4-49.2-179.2000107.7F22 V76 F77 I79 T129 L133 V192F22-I257 HydrophobicContact CE1-CD1 4.4Å; F22-I257 HydrophobicContact CZ-CD1 3.94Å; V76-I257 WeakPolarHBondContact CA-O 3.45Å; F77-I257 HydrophobicContact CB-CB 4.27Å; F77-I257 PolarHBondContact N-O 3.3Å; F77-I257 PolarHBondContact O-N 2.91Å; I79-I257 HydrophobicContact CD1-CD1 4.06Å; I79-I257 HydrophobicContact CD1-CG1 3.68Å; I79-I257 HydrophobicContact CG1-CD1 4.36Å; I79-I257 HydrophobicContact CG1-CG1 4.14Å; T129-I257 HydrophobicContact CG2-CD1 3.94Å; L133-I257 HydrophobicContact CD1-CD1 4.24Å; L133-I257 HydrophobicContact CD2-CD1 4.4Å; V192-I257 WeakPolarHBondContact O-CA 3.4Å
258I87.4Confident76Confident1 Ų139.9 Ų39.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-116.2123.6-179.5-55.2174000109.2C50 L54 I73 V76 H191 V192 V194C50-I258 HydrophobicContact CB-CD1 4.17Å; L54-I258 HydrophobicContact CD2-CG2 3.95Å; I73-I258 HydrophobicContact CG1-CG2 4.41Å; I73-I258 HydrophobicContact CG2-CG2 3.88Å; V76-I258 HydrophobicContact CG1-CG1 4.13Å; V76-I258 HydrophobicContact CG2-CG1 4.27Å; V76-I258 HydrophobicContact CG2-CG2 4.21Å; H191-I258 CarbonylContact C-O 3.28Å; H191-I258 VanDerWaalsContact CA-O 3.23Å; H191-I258 WeakPolarHBondContact CA-O 3.48Å; V192-I258 HydrophobicContact CG1-CB 3.83Å; V192-I258 PolarHBondContact N-O 2.86Å; V192-I258 PolarHBondContact O-N 2.83Å; V194-I258 HydrophobicContact CG2-CD1 3.72Å; V194-I258 HydrophobicContact CG2-CG1 4.24Å
259H86.7Confident73.8Confident35 Ų3542.9 Ų42.916%0.16226%0.261CS..EExtended strand (participates in β ladder)trans-99.1130.4173.2-68.3-175.6000109.6N74 R75 F77 H191N74-H259 PolarHBondContact N-O 3.12Å; R75-H259 HydrophobicContact CB-CB 4.49Å; R75-H259 PolarHBondContact N-O 3.18Å; R75-H259 PolarHBondContact O-N 3.41Å; F77-H259 AromaticContact CE2-CE1 3.85Å; F77-H259 AromaticContact CE2-ND1 3.94Å; H191-H259 WeakPolarHBondContact CB-CD2 3.37Å
260F86.1Confident71.5Confident2 Ų246.5 Ų46.51%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-140.8163.1-175.864.1-96.7000113.1L54 I71 K72 L158 E162 G190 V192 Y262L54-F260 HydrophobicContact CD2-CD1 4.39Å; I71-F260 HydrophobicContact CD1-CB 3.93Å; I71-F260 HydrophobicContact CD1-CD1 4.34Å; I71-F260 HydrophobicContact CD1-CD2 3.42Å; I71-F260 VanDerWaalsContact CD1-CD2 3.42Å; I71-F260 HydrophobicContact CD1-CE2 3.96Å; I71-F260 HydrophobicContact CD1-CG 3.64Å; I71-F260 HydrophobicContact CG1-CB 3.86Å; I71-F260 HydrophobicContact CG1-CD2 3.77Å; I71-F260 HydrophobicContact CG1-CG 4.04Å; K72-F260 CarbonylContact O-C 3.5Å; K72-F260 VanDerWaalsContact O-CA 3.23Å; K72-F260 WeakPolarHBondContact O-CA 3.4Å; K72-F260 WeakPolarHBondContact O-CB 3.42Å; L158-F260 HydrophobicContact CD1-CE1 4.19Å; L158-F260 HydrophobicContact CD1-CZ 4.11Å; L158-F260 HydrophobicContact CD2-CZ 4.29Å; E162-F260 HydrophobicContact CG-CZ 4.34Å; G190-F260 PolarHBondContact N-O 2.99Å; G190-F260 PolarHBondContact O-N 3.34Å; V192-F260 HydrophobicContact CB-CE1 4.14Å; V192-F260 HydrophobicContact CG1-CD1 4.28Å; V192-F260 HydrophobicContact CG1-CE1 4Å; F260-Y262 HydrophobicContact CE2-CD2 4.42Å; F260-Y262 HydrophobicContact CE2-CE1 4.08Å; F260-Y262 AromaticContact CE2-CE2 3.75Å; F260-Y262 HydrophobicContact CE2-CE2 3.75Å; F260-Y262 AromaticContact CE2-CZ 3.56Å
261E85.3Confident69.4Low23 Ų2349.7 Ų49.711%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-128.6137.8178.2-177.1-167.8172.300109.9I71 K72 R188I71-E261 CarbonylContact C-O 3.45Å; I71-E261 WeakPolarHBondContact CA-O 3.31Å; K72-E261 HydrophobicContact CB-CB 4.4Å; K72-E261 PolarHBondContact N-O 3.45Å; K72-E261 PolarHBondContact O-N 3Å; R188-E261 HydrophobicContact CG-CG 4.03Å; R188-E261 IonicContact CZ-OE1 2.7Å; R188-E261 VanDerWaalsContact CZ-OE1 3.23Å; R188-E261 IonicContact NE-OE1 3.43Å; R188-E261 PolarHBondContact NE-OE1 3.24Å; R188-E261 IonicContact NH2-OE1 3.61Å; R188-E261 PolarHBondContact NH2-OE1 2.87Å; R188-E261 WeakPolarHBondContact O-CA 3.04Å
262Y84.2Confident66.7Low4 Ų459.5 Ų59.52%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-85.3132.5172.9-67.2-64.7000112.1F58 Y63 I68 I71 E162 R188 F260F58-Y262 HydrophobicContact CE2-CE1 4.17Å; Y63-Y262 HydrophobicContact CD1-CE1 4.49Å; Y63-Y262 HydrophobicContact CE1-CE1 4.04Å; Y63-Y262 AromaticContact CE1-CZ 3.99Å; Y63-Y262 PolarHBondContact OH-OH 3.03Å; I68-Y262 HydrophobicContact CD1-CD1 3.8Å; I68-Y262 HydrophobicContact CD1-CD2 4.07Å; I68-Y262 HydrophobicContact CD1-CE1 4.2Å; I68-Y262 HydrophobicContact CD1-CE2 4.46Å; I68-Y262 HydrophobicContact CD1-CG 3.7Å; I68-Y262 HydrophobicContact CG1-CD1 4.43Å; I68-Y262 HydrophobicContact CG1-CG 4.29Å; I68-Y262 HydrophobicContact CG2-CD1 3.64Å; I68-Y262 HydrophobicContact CG2-CE1 4.49Å; I68-Y262 HydrophobicContact CG2-CG 4.16Å; I71-Y262 HydrophobicContact CD1-CE1 4.34Å; E162-Y262 WeakPolarHBondContact CG-OH 3.41Å; E162-Y262 PolarHBondContact OE2-OH 2.51Å; R188-Y262 PolarHBondContact O-N 3.07Å; F260-Y262 HydrophobicContact CE2-CD2 4.42Å; F260-Y262 HydrophobicContact CE2-CE1 4.08Å; F260-Y262 AromaticContact CE2-CE2 3.75Å; F260-Y262 HydrophobicContact CE2-CE2 3.75Å; F260-Y262 AromaticContact CE2-CZ 3.56Å
263I78.7Confident64Low73 Ų7363.5 Ų63.537%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-95.8127.9174.8-59.4172.1000108.7I68 A69 D70 K72I68-I263 CarbonylContact C-O 3.4Å; I68-I263 WeakPolarHBondContact CA-O 3.47Å; A69-I263 PolarHBondContact N-O 2.94Å; D70-I263 HydrophobicContact CB-CB 4.27Å; D70-I263 HydrophobicContact CB-CD1 4.18Å; D70-I263 PolarHBondContact N-O 3.18Å; D70-I263 PolarHBondContact O-N 3.14Å; K72-I263 HydrophobicContact CB-CD1 4.14Å; K72-I263 HydrophobicContact CB-CG1 4.39Å
264T73.6Confident61.1Low41 Ų4171 Ų7125%0.25243%0.427SS..EExtended strand (participates in β ladder)trans-105153.3178.259.60000113.4R67 I68 I185 V266R67-T264 VanDerWaalsContact O-CA 3.29Å; R67-T264 WeakPolarHBondContact O-CA 3.36Å; R67-T264 WeakPolarHBondContact O-CB 3.49Å; I68-T264 HydrophobicContact CG1-CG2 4.38Å; I185-T264 HydrophobicContact CD1-CG2 3.36Å; T264-V266 PolarHBondContact O-N 3.25Å
265T55.9Low58Low97 Ų9780.2 Ų80.260%0.59547%0.467SS*.SBendtrans-70.4-7.2-174.4510000115.2R67 A69R67-T265 PolarHBondContact O-N 2.84Å; A69-T265 HydrophobicContact CB-CG2 3.73Å
266V48.1Very low55.1Low103 Ų10388.9 Ų88.962%0.62450%0.504SS*.  trans-110.976.3179.5-167.80000109.7T264T264-V266 PolarHBondContact O-N 3.25Å
267S33.8Very low52Low116 Ų11693 Ų9381%0.81154%0.537SS*.  trans-149.493.2155.7-1590000109.1
268S29.5Very low48.9Very low114 Ų11499.4 Ų99.480%0.79758%0.575SS**  trans-98.3133.2169.344.70000110.5
269A29.5Very low46Very low101 Ų101107 Ų10784%0.83561%0.614SS**  trans78.896.5155.500000119.8
270S30.3Very low43.1Very low119 Ų119113.7 Ų113.783%0.83265%0.646SS**  -147.3105.6121.753.70000111.7
271T35.8Very low40.4Very low135 Ų135121.1 Ų121.183%0.82868%0.684SS**  trans12.796.7144.5-16.80000118.9
272F26.7Very low37.4Very low208 Ų208128.6 Ų128.691%0.91272%0.719SS**  trans-164.968.4134.2-120.2-83.9000109.3
273A28.9Very low34.6Very low94 Ų94135 Ų13578%0.77775%0.754SS**  trans-106.187.9165.600000108.2
274H27.5Very low32Very low166 Ų166140.3 Ų140.377%0.76978%0.782SS**  trans-142.8128.5155.4-114.261.4000108
275F26.1Very low29.9Very low198 Ų198143 Ų14387%0.86880%0.802SS**SBendtrans91.970.6-174.7-67.9-80.7000118.1
276K25.3Very low28.4Very low212 Ų212150.2 Ų150.292%0.92282%0.818SS**  -178.994.4110.8-100176.1177.3179.60109.6
277S23.3Very low27.2Very low110 Ų110151.4 Ų151.477%0.76983%0.83SS**  trans-100.8162.1154.853.10000109.1
278V24.7Very low26.7Very low135 Ų135148.9 Ų148.982%0.81882%0.822SS**  trans82.596.5179.9-159.50000111.2
279I25.6Very low26.7Very low161 Ų161152.3 Ų152.383%0.82683%0.825SS**  -137.5128.762.9-68.7163.3000111.4
280Q25.5Very low26.4Very low176 Ų176158.6 Ų158.682%0.82283%0.828SS**  trans-67.2125.9167.1-73.8164.1-5000109.3
281I29.1Very low26.2Very low158 Ų158160.1 Ų160.181%0.8183%0.827SS**  35.5100.996.5-50.6179.7000113.9
282E23.9Very low25.7Very low180 Ų180160.4 Ų160.484%0.84183%0.827SS**  trans-133.8121.2143.9-85.8-176.8167.600109.4
283D23.8Very low25.7Very low139 Ų139155.4 Ų155.474%0.74382%0.819SS**  trans67.882.1143.3-59.7-14.6000121.8
284L25.9Very low25.9Very low184 Ų184159.4 Ų159.496%0.96383%0.826SS**  trans-83.696.7139.5-97.9139.6000109.5
285S29.4Very low26Very low97 Ų97156.5 Ų156.568%0.67883%0.825SS**  trans-166.5102.3143.752.50000111.7
286R24.5Very low26.6Very low249 Ų249155.7 Ų155.794%0.9482%0.823SS**  trans-169.4120.3139.4-107.1165.8-167.7-156.64.3112.2
287C22.3Very low27.1Very low128 Ų128152.8 Ų152.887%0.86582%0.818SS**  trans69.7112.6143.8-116.20000118.8
288G23.9Very low27.6Very low63 Ų63150.9 Ų150.965%0.64981%0.809SS**  trans-69.6162.7151.800000112.4
289Q28.1Very low28.2Very low185 Ų185149.8 Ų149.886%0.86480%0.803SS**  trans59.5109.2164.1-63.1-172.4-1600117.7
290R23.6Very low28.7Very low234 Ų234145.5 Ų145.588%0.88379%0.791SS**  -177.9144.1102.8-95.9170.3-167.8173.54.2111.3
291D26.6Very low29.3Very low151 Ų151142.5 Ų142.581%0.80778%0.781SS**  trans-46.8141.2175.4-54.1-68.5000114
292V25.3Very low29.8Very low140 Ų140139.5 Ų139.585%0.84877%0.77SS**  trans-144.6130.3136.4-177.30000110
293S25.6Very low30.5Very low104 Ų104133.7 Ų133.773%0.72775%0.752SS**  trans-37141.4175.545.40000119.6
294L34.7Very low31.3Very low177 Ų177130.3 Ų130.393%0.92774%0.743SS**  trans-30.7132.7154.9-63.6155000115
295S29.3Very low31.9Very low106 Ų106128.8 Ų128.874%0.74174%0.735SS**  trans-136.1146.9148.961.90000108.8D297S295-D297 VanDerWaalsContact C-N 3.33Å; S295-D297 PolarHBondContact O-N 2.94Å
296E37.8Very low32.5Very low180 Ų180128.3 Ų128.384%0.84173%0.732SS**G310 helixtrans-75.44.7-143.3-70.1175.2134.800117.7T299E296-T299 PolarHBondContact O-OG1 2.9Å
297D35.2Very low32.7Very low151 Ų151123.2 Ų123.281%0.80772%0.721SS**G310 helixtrans-92.5-1.8-172.7-73.9-29000115.5S295 T299S295-D297 VanDerWaalsContact C-N 3.33Å; S295-D297 PolarHBondContact O-N 2.94Å; D297-T299 VanDerWaalsContact C-N 3.31Å; D297-T299 PolarHBondContact O-N 2.95Å
298A35.6Very low33.4Very low70 Ų70123.3 Ų123.358%0.57971%0.713SS**G310 helixtrans-87.28.617700000114.4
299T36.6Very low33.8Very low113 Ų113126.1 Ų126.169%0.69372%0.72SS**Hα-helixtrans-95.8-15.3-17955.60000113.9E296 D297E296-T299 PolarHBondContact O-OG1 2.9Å; D297-T299 VanDerWaalsContact C-N 3.31Å; D297-T299 PolarHBondContact O-N 2.95Å
300A36.3Very low34.1Very low70 Ų70122.1 Ų122.158%0.57971%0.708SS**Hα-helixtrans-82.1-35.2174.400000112.8A304A300-A304 PolarHBondContact O-N 3.48Å
301D37.5Very low34.7Very low113 Ų113118 Ų11860%0.60470%0.703SS**Hα-helixtrans-83.8-26.3-174.3-69.8-22.3000113.7A303 A304 L305D301-A303 VanDerWaalsContact C-N 3.34Å; D301-A304 PolarHBondContact O-N 2.85Å; D301-L305 PolarHBondContact O-N 3.22Å; D301-L305 VanDerWaalsContact O-N 3.14Å
302V39.8Very low35Very low96 Ų96119.2 Ų119.258%0.58270%0.701SS**Hα-helixtrans-75.9-25.8173.2-179.80000111.5S306V302-S306 WeakPolarHBondContact O-CB 3.34Å; V302-S306 PolarHBondContact O-N 3.35Å; V302-S306 PolarHBondContact O-OG 3.19Å
303A38.5Very low35.7Very low58 Ų58118.5 Ų118.548%0.47970%0.699SS.*Hα-helixtrans-74-26.6171.400000112.5D301D301-A303 VanDerWaalsContact C-N 3.34Å
304A41Very low36.6Very low67 Ų67119.6 Ų119.655%0.55469%0.692SS**Hα-helixtrans-77.7-33.617300000112.7A300 D301A300-A304 PolarHBondContact O-N 3.48Å; D301-A304 PolarHBondContact O-N 2.85Å
305L38.3Very low37.2Very low152 Ų152116.4 Ų116.480%0.79668%0.682SS**Hα-helixtrans-84.9-8.3-179.6-75.9162.5000114.8D301D301-L305 PolarHBondContact O-N 3.22Å; D301-L305 VanDerWaalsContact O-N 3.14Å
306S42.3Very low38.2Very low88 Ų88118.3 Ų118.362%0.61568%0.677SS**THydrogen-bonded Turntrans-108.36.4177.2560000114V302V302-S306 WeakPolarHBondContact O-CB 3.34Å; V302-S306 PolarHBondContact O-N 3.35Å; V302-S306 PolarHBondContact O-OG 3.19Å
307M29.4Very low39Very low142 Ų142111.5 Ų111.570%0.765%0.647SS**SBendtrans-78.3124162-73.4-140.4-87.500108.7
308D36Very low39.9Very low129 Ų129112.7 Ų112.769%0.6965%0.652SS**  trans-45.3141.8159.4-71.2-37.4000107.9T310D308-T310 HydrophobicContact CB-CG2 4.17Å; D308-T310 PolarHBondContact O-N 3.2Å
309P32.2Very low40.9Very low122 Ų122112.6 Ų112.679%0.79265%0.647SS**  trans-66.776.3165.630-31.9000107.1L311P309-L311 PolarHBondContact O-N 3.32Å
310T34.3Very low42.2Very low102 Ų102107.7 Ų107.763%0.62662%0.617SS**  trans-73.388.9161.947.80000104D308 K312D308-T310 HydrophobicContact CB-CG2 4.17Å; D308-T310 PolarHBondContact O-N 3.2Å; T310-K312 PolarHBondContact O-N 2.9Å
311L35.8Very low43.5Very low147 Ų147108.5 Ų108.577%0.7761%0.611SS**  trans-51.8100.5149-85.6158.7000104.5P309 P313P309-L311 PolarHBondContact O-N 3.32Å; L311-P313 WeakPolarHBondContact O-CD 3.41Å
312K33.8Very low44.7Very low177 Ų177108.3 Ų108.377%0.7761%0.607SS**  trans-46.9122.3162.1-73.1-176178.61790104T310 Q314T310-K312 PolarHBondContact O-N 2.9Å; K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 2.79Å
313P40.3Very low45.7Very low124 Ų124114.1 Ų114.181%0.80562%0.618SS**  trans-54.1108.4175.320.4-29.9000105.4L311L311-P313 WeakPolarHBondContact O-CD 3.41Å
314Q43.1Very low47Very low127 Ų127112.9 Ų112.959%0.59361%0.605SS**  trans-61.3132.8178.1-70.8-158.4-2.100105.2K312 K316K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 2.79Å; Q314-K316 PolarHBondContact O-N 2.92Å
315P47.8Very low48.3Very low110 Ų110109.8 Ų109.871%0.71458%0.579SS**  trans-54120.7176.322.9-31.5000106.8L317P315-L317 PolarHBondContact O-N 3.03Å
316K50.6Low49.6Very low146 Ų146104.3 Ų104.364%0.63555%0.55SS**  trans-56.7109.8177.3-67.6179.6-179.1177.90106.8Q314 L318Q314-K316 PolarHBondContact O-N 2.92Å; K316-L318 VanDerWaalsContact C-N 3.35Å; K316-L318 PolarHBondContact O-N 3.3Å
317L55.3Low50.6Low38 Ų38104 Ų10420%0.19955%0.548CS..  trans-66.398.6175.2-75.5164.5000107.3P315 S319 T324 V328 L347P315-L317 PolarHBondContact O-N 3.03Å; L317-S319 VanDerWaalsContact C-N 3.26Å; L317-T324 HydrophobicContact CD2-CG2 4.42Å; L317-V328 HydrophobicContact CD1-CG2 4.26Å; L317-L347 WeakPolarHBondContact O-CD2 3.47Å
318L52.6Low52.3Low175 Ų175100 Ų10092%0.91653%0.532SS*.SBendtrans-70.9-24.6178.9-76.8154.3000111.7K316K316-L318 VanDerWaalsContact C-N 3.35Å; K316-L318 PolarHBondContact O-N 3.3Å
319S58Low53.6Low69 Ų6995.4 Ų95.448%0.48351%0.511SS..SBendtrans-147143.7170.357.90000110.4L317L317-S319 VanDerWaalsContact C-N 3.26Å
320L63.2Low54.9Low10 Ų10100.9 Ų100.95%0.05252%0.516CS..  trans-92.8111.5170.3-83.7155.4000107.9L325 L342 L347 I350L320-L325 HydrophobicContact CD2-CD2 3.82Å; L320-L325 HydrophobicContact CD2-CG 3.93Å; L320-L342 HydrophobicContact CD1-CD1 4.05Å; L320-L342 HydrophobicContact CD2-CD2 4.03Å; L320-L347 HydrophobicContact CD1-CD1 3.75Å; L320-L347 HydrophobicContact CD1-CD2 4.12Å; L320-L347 HydrophobicContact CG-CD2 4.45Å; L320-I350 HydrophobicContact CD1-CB 4.48Å; L320-I350 HydrophobicContact CD1-CG1 4.31Å; L320-I350 HydrophobicContact CD1-CG2 3.93Å
321D63.4Low56.2Low86 Ų8696.9 Ų96.946%0.4649%0.493SS..  trans-104.8153.2169.8-56.3-24.5000109.3R323 T324 L325D321-R323 PolarHBondContact O-N 3.13Å; D321-R323 VanDerWaalsContact O-N 3.08Å; D321-T324 HydrophobicContact CB-CG2 4.35Å; D321-T324 PolarHBondContact N-OG1 3.21Å; D321-T324 WeakPolarHBondContact O-CA 3.42Å; D321-T324 WeakPolarHBondContact O-CB 3.23Å; D321-T324 PolarHBondContact O-N 2.58Å; D321-T324 PolarHBondContact O-OG1 2.71Å; D321-L325 PolarHBondContact O-N 3.31Å
322E63.5Low57.4Low110 Ų11097.1 Ų97.151%0.51450%0.495SS..Hα-helixtrans-46.7-41.5177169.7168.2-149.600113.7T324 L325 L326 L334E322-T324 VanDerWaalsContact C-N 3.32Å; E322-T324 PolarHBondContact O-N 2.78Å; E322-L325 PolarHBondContact O-N 2.95Å; E322-L326 HydrophobicContact CG-CD1 3.98Å; E322-L326 WeakPolarHBondContact O-CD1 3.4Å; E322-L326 WeakPolarHBondContact O-CG 3.34Å; E322-L326 PolarHBondContact O-N 3.18Å; E322-L334 HydrophobicContact CG-CD1 3.78Å; E322-L334 HydrophobicContact CG-CG 4.31Å; E322-L334 VanDerWaalsContact OE1-CD1 3.32Å; E322-L334 WeakPolarHBondContact OE1-CD1 3.45Å
323R61.1Low58.8Low218 Ų21891.9 Ų91.982%0.82348%0.478SS*.Hα-helixtrans-64.9-34.7177-65.9-178.4-179.3162.60.8112.9D321 S327D321-R323 PolarHBondContact O-N 3.13Å; D321-R323 VanDerWaalsContact O-N 3.08Å; R323-S327 WeakPolarHBondContact O-CB 3.31Å; R323-S327 PolarHBondContact O-N 3.21Å; R323-S327 VanDerWaalsContact O-N 3.15Å
324T65.3Low60Low31 Ų3187 Ų8719%0.1945%0.446CS..Hα-helixtrans-74.4-38.417764.80000111.3L317 D321 E322 S327 V328L317-T324 HydrophobicContact CD2-CG2 4.42Å; D321-T324 HydrophobicContact CB-CG2 4.35Å; D321-T324 PolarHBondContact N-OG1 3.21Å; D321-T324 WeakPolarHBondContact O-CA 3.42Å; D321-T324 WeakPolarHBondContact O-CB 3.23Å; D321-T324 PolarHBondContact O-N 2.58Å; D321-T324 PolarHBondContact O-OG1 2.71Å; E322-T324 VanDerWaalsContact C-N 3.32Å; E322-T324 PolarHBondContact O-N 2.78Å; T324-S327 WeakPolarHBondContact CA-OG 3.38Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 PolarHBondContact O-OG 3.22Å; T324-V328 VanDerWaalsContact O-CG2 3.3Å; T324-V328 WeakPolarHBondContact O-CG2 3.12Å; T324-V328 PolarHBondContact O-N 2.77Å
325L67.7Low61.2Low2 Ų284.1 Ų84.11%0.0144%0.439CS..Hα-helixtrans-62-44.6174.4-81.9164.9000112.1L320 D321 E322 S327 V328 A329 L334 L340L320-L325 HydrophobicContact CD2-CD2 3.82Å; L320-L325 HydrophobicContact CD2-CG 3.93Å; D321-L325 PolarHBondContact O-N 3.31Å; E322-L325 PolarHBondContact O-N 2.95Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.23Å; L325-V328 PolarHBondContact O-N 3.34Å; L325-A329 VanDerWaalsContact O-CB 3.24Å; L325-A329 WeakPolarHBondContact O-CB 3.3Å; L325-A329 PolarHBondContact O-N 3.11Å; L325-L334 HydrophobicContact CB-CD2 4.04Å; L325-L340 HydrophobicContact CD2-CD1 4.08Å; L325-L340 HydrophobicContact CD2-CD2 4.02Å
326L65.4Low62.2Low38 Ų3885 Ų8520%0.19943%0.434CS..Hα-helixtrans-61.5-38.6174-70.8159.2000111.6E322 R330 A331 L334E322-L326 HydrophobicContact CG-CD1 3.98Å; E322-L326 WeakPolarHBondContact O-CD1 3.4Å; E322-L326 WeakPolarHBondContact O-CG 3.34Å; E322-L326 PolarHBondContact O-N 3.18Å; L326-R330 WeakPolarHBondContact O-CA 3.36Å; L326-R330 PolarHBondContact O-N 3.34Å; L326-A331 HydrophobicContact CD2-CB 4.48Å; L326-A331 WeakPolarHBondContact CD2-O 3.32Å; L326-A331 PolarHBondContact O-N 3.03Å; L326-A331 VanDerWaalsContact O-N 3.15Å; L326-L334 HydrophobicContact CD2-CD2 4.17Å; L326-L334 HydrophobicContact CD2-CG 4.35Å; L326-L334 HydrophobicContact CG-CD2 4.01Å; L326-L334 HydrophobicContact CG-CG 4.45Å
327S64.1Low63.4Low80 Ų8078.4 Ų78.456%0.55941%0.405SS*.Hα-helixtrans-68.8-39.9177.979.30000113.4R323 T324 L325R323-S327 WeakPolarHBondContact O-CB 3.31Å; R323-S327 PolarHBondContact O-N 3.21Å; R323-S327 VanDerWaalsContact O-N 3.15Å; T324-S327 WeakPolarHBondContact CA-OG 3.38Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 PolarHBondContact O-OG 3.22Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.23Å
328V65.8Low64.6Low60 Ų6080 Ų8036%0.36442%0.416SS..Hα-helixtrans-73.9-40.2-1801720000110.5L317 T324 L325 R330L317-V328 HydrophobicContact CD1-CG2 4.26Å; T324-V328 VanDerWaalsContact O-CG2 3.3Å; T324-V328 WeakPolarHBondContact O-CG2 3.12Å; T324-V328 PolarHBondContact O-N 2.77Å; L325-V328 PolarHBondContact O-N 3.34Å; V328-R330 VanDerWaalsContact C-N 3.33Å
329A62.2Low66.1Low31 Ų3175.7 Ų75.726%0.25640%0.398SS..Hα-helixtrans-83.6-5179.100000114.1L325 A331 I337L325-A329 VanDerWaalsContact O-CB 3.24Å; L325-A329 WeakPolarHBondContact O-CB 3.3Å; L325-A329 PolarHBondContact O-N 3.11Å; A329-A331 HydrophobicContact CB-CB 4.32Å; A329-A331 PolarHBondContact O-N 3.31Å; A329-I337 HydrophobicContact CB-CB 4.49Å; A329-I337 HydrophobicContact CB-CD1 3.47Å; A329-I337 VanDerWaalsContact CB-CD1 3.47Å; A329-I337 HydrophobicContact CB-CG1 3.75Å; A329-I337 HydrophobicContact CB-CG2 3.92Å
330R60.8Low67.3Low237 Ų23772.5 Ų72.589%0.89438%0.375SS*.THydrogen-bonded Turntrans48.441.9-174.2-59.9-177.3178.4-178.7-0112.7L326 V328L326-R330 WeakPolarHBondContact O-CA 3.36Å; L326-R330 PolarHBondContact O-N 3.34Å; V328-R330 VanDerWaalsContact C-N 3.33Å
331A60.5Low68.2Low18 Ų1876.4 Ų76.415%0.14940%0.396CS..  trans-115.5151.6-175.700000111.2L326 A329 I337L326-A331 HydrophobicContact CD2-CB 4.48Å; L326-A331 WeakPolarHBondContact CD2-O 3.32Å; L326-A331 PolarHBondContact O-N 3.03Å; L326-A331 VanDerWaalsContact O-N 3.15Å; A329-A331 HydrophobicContact CB-CB 4.32Å; A329-A331 PolarHBondContact O-N 3.31Å; A331-I337 HydrophobicContact CB-CD1 4.15Å; A331-I337 HydrophobicContact CB-CG1 3.69Å
332N60Low69Low153 Ų15372.3 Ų72.382%0.81837%0.374SS*.SBendtrans-90-20.6176.7-65.8-16.3000112.3
333T65.2Low69.9Low67 Ų6770.9 Ų70.941%0.41137%0.367SS..SBendtrans-142.3135.3-179.2-29.70000109.6S335 Q336T333-S335 PolarHBondContact O-N 3.21Å; T333-Q336 PolarHBondContact O-N 3.36Å
334L64.8Low70.6Confident22 Ų2262.1 Ų62.112%0.11535%0.345CS..G310 helixtrans-59.6-30.6-178.6-70.3176.7000113.3E322 L325 L326 Q336 I337 L356E322-L334 HydrophobicContact CG-CD1 3.78Å; E322-L334 HydrophobicContact CG-CG 4.31Å; E322-L334 VanDerWaalsContact OE1-CD1 3.32Å; E322-L334 WeakPolarHBondContact OE1-CD1 3.45Å; L325-L334 HydrophobicContact CB-CD2 4.04Å; L326-L334 HydrophobicContact CD2-CD2 4.17Å; L326-L334 HydrophobicContact CD2-CG 4.35Å; L326-L334 HydrophobicContact CG-CD2 4.01Å; L326-L334 HydrophobicContact CG-CG 4.45Å; L334-Q336 PolarHBondContact O-N 3.45Å; L334-I337 HydrophobicContact CD2-CD1 4.01Å; L334-I337 PolarHBondContact O-N 3.25Å; L334-L356 HydrophobicContact CB-CD2 3.8Å; L334-L356 HydrophobicContact CD2-CD2 4Å; L334-L356 HydrophobicContact CG-CD2 4.43Å; L334-L356 WeakPolarHBondContact O-CD2 3.39Å
335S68.6Low71.1Confident66 Ų6660.9 Ų60.946%0.46234%0.337SS..G310 helixtrans-69.3-10.8179.855.90000115T333 A358T333-S335 PolarHBondContact O-N 3.21Å; S335-A358 WeakPolarHBondContact O-CB 3.25Å
336Q68.9Low71.6Confident129 Ų12963 Ų6360%0.60335%0.352SS*.G310 helixtrans-95.3-7.3179.3-67.2-179-19.200113.4T333 L334 T338T333-Q336 PolarHBondContact O-N 3.36Å; L334-Q336 PolarHBondContact O-N 3.45Å; Q336-T338 PolarHBondContact O-N 2.89Å
337I76.1Confident72.2Confident7 Ų761.6 Ų61.64%0.03634%0.344CS..  trans-78.6111.1-174.2-57.7171.6000109.3A329 A331 L334 L340 L356 A358 L359A329-I337 HydrophobicContact CB-CB 4.49Å; A329-I337 HydrophobicContact CB-CD1 3.47Å; A329-I337 VanDerWaalsContact CB-CD1 3.47Å; A329-I337 HydrophobicContact CB-CG1 3.75Å; A329-I337 HydrophobicContact CB-CG2 3.92Å; A331-I337 HydrophobicContact CB-CD1 4.15Å; A331-I337 HydrophobicContact CB-CG1 3.69Å; L334-I337 HydrophobicContact CD2-CD1 4.01Å; L334-I337 PolarHBondContact O-N 3.25Å; I337-L340 HydrophobicContact CG2-CB 4.36Å; I337-L356 HydrophobicContact CB-CD2 4.28Å; I337-L356 HydrophobicContact CD1-CD2 3.94Å; I337-A358 CarbonylContact O-C 3.31Å; I337-L359 HydrophobicContact CG2-CD1 3.93Å; I337-L359 WeakPolarHBondContact O-CA 3.07Å; I337-L359 PolarHBondContact O-N 3.35Å
338T80Confident72.9Confident70 Ų7061.3 Ų61.343%0.42934%0.342SS..  trans-100.2-26.7177.355.80000112.8Q336 R360 H361Q336-T338 PolarHBondContact O-N 2.89Å; T338-R360 PolarHBondContact O-N 3.24Å; T338-H361 PolarHBondContact O-N 3.11Å
339V83.1Confident73.4Confident86 Ų8665.1 Ų65.152%0.52135%0.354SS..EExtended strand (participates in β ladder)trans-127125.3179.7-177.40000109H361V339-H361 WeakPolarHBondContact CA-O 3.46Å; V339-H361 HydrophobicContact CB-CB 4.38Å; V339-H361 HydrophobicContact CG1-CB 4.09Å; V339-H361 HydrophobicContact CG2-CB 4.11Å
340L84.4Confident74.1Confident2 Ų263.9 Ų63.91%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-129.4121178.3-178.362.4000110.1L325 I337 L342 I353 L356 L359 H361 L362 T363L325-L340 HydrophobicContact CD2-CD1 4.08Å; L325-L340 HydrophobicContact CD2-CD2 4.02Å; I337-L340 HydrophobicContact CG2-CB 4.36Å; L340-L342 HydrophobicContact CD1-CD2 4.1Å; L340-L342 HydrophobicContact CD1-CG 4.31Å; L340-L342 HydrophobicContact CD2-CD1 4.02Å; L340-L342 HydrophobicContact CD2-CG 4.28Å; L340-L342 HydrophobicContact CG-CD1 4.29Å; L340-L342 HydrophobicContact CG-CD2 4.34Å; L340-L342 HydrophobicContact CG-CG 4Å; L340-I353 HydrophobicContact CD2-CD1 4.28Å; L340-L356 HydrophobicContact CD2-CD1 3.84Å; L340-L359 HydrophobicContact CB-CD1 3.57Å; L340-L359 HydrophobicContact CB-CD2 4.27Å; L340-H361 PolarHBondContact N-O 3.16Å; L340-L362 HydrophobicContact CB-CD1 4.13Å; L340-L362 HydrophobicContact CD2-CD1 4.01Å; L340-L362 HydrophobicContact CG-CD1 4.14Å; L340-L362 WeakPolarHBondContact O-CA 3.41Å; L340-T363 PolarHBondContact O-N 3Å
341N81.9Confident74.2Confident92 Ų9259.6 Ų59.649%0.49233%0.331SS..EExtended strand (participates in β ladder)trans-114.2115.2176.9-172.4-7.8000110.3H343N341-H343 WeakPolarHBondContact OD1-CB 3.17Å; N341-H343 PolarHBondContact OD1-N 2.91Å
342L79.5Confident74.3Confident0 Ų063.6 Ų63.60%035%0.346CS..  trans-118.424.4179.2-59.9176.4000111.8L320 L340 G344 N345 L347 I350 T363 I364 N367L320-L342 HydrophobicContact CD1-CD1 4.05Å; L320-L342 HydrophobicContact CD2-CD2 4.03Å; L340-L342 HydrophobicContact CD1-CD2 4.1Å; L340-L342 HydrophobicContact CD1-CG 4.31Å; L340-L342 HydrophobicContact CD2-CD1 4.02Å; L340-L342 HydrophobicContact CD2-CG 4.28Å; L340-L342 HydrophobicContact CG-CD1 4.29Å; L340-L342 HydrophobicContact CG-CD2 4.34Å; L340-L342 HydrophobicContact CG-CG 4Å; L342-G344 PolarHBondContact O-N 2.82Å; L342-N345 VanDerWaalsContact C-ND2 3.28Å; L342-N345 PolarHBondContact O-ND2 2.88Å; L342-L347 HydrophobicContact CB-CD1 4.19Å; L342-L347 HydrophobicContact CD1-CD1 4.37Å; L342-I350 HydrophobicContact CD1-CD1 3.87Å; L342-T363 WeakPolarHBondContact CA-O 3.47Å; L342-T363 PolarHBondContact N-O 3.33Å; L342-I364 HydrophobicContact CB-CG2 4.33Å; L342-I364 HydrophobicContact CD1-CG2 4.33Å; L342-N367 PolarHBondContact O-ND2 3.49Å
343H82.4Confident74.7Confident79 Ų7956.4 Ų56.437%0.36631%0.308SS..THydrogen-bonded Turntrans-54.2135.7177.8170.289.4000112.9N341 N345 T363 S365 F366N341-H343 WeakPolarHBondContact OD1-CB 3.17Å; N341-H343 PolarHBondContact OD1-N 2.91Å; H343-N345 PolarHBondContact O-N 2.91Å; H343-N345 PolarHBondContact O-ND2 3.24Å; H343-N345 VanDerWaalsContact O-ND2 3.14Å; H343-T363 HydrophobicContact CB-CG2 4.29Å; H343-S365 CarbonylContact C-O 3.56Å; H343-S365 VanDerWaalsContact CA-O 3.26Å; H343-S365 WeakPolarHBondContact CA-O 3.25Å; H343-S365 PolarHBondContact ND1-OG 3.1Å; H343-F366 AromaticContact CE1-CD2 3.18Å; H343-F366 WeakPolarHBondContact CE1-CD2 3.37Å; H343-F366 AromaticContact CE1-CE2 3.81Å; H343-F366 AromaticContact CE1-CG 3.74Å; H343-F366 AromaticContact ND1-CD2 3.59Å
344G75.3Confident74.6Confident34 Ų3457.3 Ų57.335%0.35132%0.317SS..THydrogen-bonded Turntrans77.319.1165.700000116.5L342 S365 F366L342-G344 PolarHBondContact O-N 2.82Å; G344-S365 PolarHBondContact N-O 2.98Å; G344-F366 VanDerWaalsContact CA-O 3.29Å; G344-F366 WeakPolarHBondContact CA-O 3.49Å; G344-F366 PolarHBondContact N-O 3.27Å
345N75.7Confident74.6Confident6 Ų658.9 Ų58.93%0.03233%0.33CS..SBendtrans-98.45-171.5-73.9-65.5000115.2L342 H343 L347 N367L342-N345 VanDerWaalsContact C-ND2 3.28Å; L342-N345 PolarHBondContact O-ND2 2.88Å; H343-N345 PolarHBondContact O-N 2.91Å; H343-N345 PolarHBondContact O-ND2 3.24Å; H343-N345 VanDerWaalsContact O-ND2 3.14Å; N345-L347 HydrophobicContact CB-CD1 3.72Å; N345-L347 HydrophobicContact CB-CD2 4.44Å; N345-L347 HydrophobicContact CB-CG 3.64Å; N345-L347 PolarHBondContact O-N 3.38Å; N345-L347 VanDerWaalsContact O-N 3.11Å; N345-N367 VanDerWaalsContact C-OD1 3.23Å; N345-N367 WeakPolarHBondContact CA-OD1 3.5Å; N345-N367 PolarHBondContact N-OD1 3.28Å; N345-N367 VanDerWaalsContact N-OD1 3.09Å
346S78.8Confident74.8Confident45 Ų4555.8 Ų55.832%0.31531%0.308SS..  trans53.725.2-176.4-58.80000114.4N367S346-N367 PolarHBondContact N-OD1 2.96Å
347L77.8Confident75.1Confident9 Ų953.5 Ų53.55%0.04731%0.307CS..  trans-71.3144.7-176.4-64.7167000111.1L317 L320 L342 N345 N367 K368 F369L317-L347 WeakPolarHBondContact O-CD2 3.47Å; L320-L347 HydrophobicContact CD1-CD1 3.75Å; L320-L347 HydrophobicContact CD1-CD2 4.12Å; L320-L347 HydrophobicContact CG-CD2 4.45Å; L342-L347 HydrophobicContact CB-CD1 4.19Å; L342-L347 HydrophobicContact CD1-CD1 4.37Å; N345-L347 HydrophobicContact CB-CD1 3.72Å; N345-L347 HydrophobicContact CB-CD2 4.44Å; N345-L347 HydrophobicContact CB-CG 3.64Å; N345-L347 PolarHBondContact O-N 3.38Å; N345-L347 VanDerWaalsContact O-N 3.11Å; L347-N367 HydrophobicContact CB-CB 4.46Å; L347-N367 PolarHBondContact N-OD1 2.79Å; L347-K368 CarbonylContact O-C 3.28Å; L347-K368 VanDerWaalsContact O-C 3.3Å; L347-K368 WeakPolarHBondContact O-CA 3.25Å; L347-K368 PolarHBondContact O-N 2.89Å; L347-F369 HydrophobicContact CB-CE2 3.81Å; L347-F369 HydrophobicContact CB-CZ 3.6Å; L347-F369 PolarHBondContact O-N 3.2Å
348S79.6Confident75.1Confident74 Ų7454.6 Ų54.652%0.51732%0.317SS..SBendtrans-116.9-18.7174.3580000113.7F369S348-F369 WeakPolarHBondContact O-CD1 3.48Å
349K76.2Confident75.3Confident141 Ų14151.3 Ų51.361%0.61330%0.297SS*.  trans-147.9148.3176.8-65.5-168.7177.7-170.50109.9D374K349-D374 WeakPolarHBondContact CA-OD2 3.39Å
350I76.4Confident75.5Confident4 Ų453.2 Ų53.22%0.02129%0.294CS..  trans-116.894.2173.4-53.7177.5000107.6L320 L342 I353 I364 F369 D374L320-I350 HydrophobicContact CD1-CB 4.48Å; L320-I350 HydrophobicContact CD1-CG1 4.31Å; L320-I350 HydrophobicContact CD1-CG2 3.93Å; L342-I350 HydrophobicContact CD1-CD1 3.87Å; I350-I353 HydrophobicContact CD1-CD1 4.41Å; I350-I353 HydrophobicContact CG2-CB 3.78Å; I350-I353 HydrophobicContact CG2-CD1 4.08Å; I350-I353 HydrophobicContact CG2-CG1 4.2Å; I350-I364 HydrophobicContact CD1-CG2 3.84Å; I350-F369 HydrophobicContact CD1-CE1 4.17Å; I350-F369 HydrophobicContact CD1-CE2 4.44Å; I350-F369 HydrophobicContact CD1-CZ 3.67Å; I350-F369 HydrophobicContact CG1-CE1 3.69Å; I350-F369 HydrophobicContact CG1-CZ 3.4Å; I350-F369 VanDerWaalsContact CG1-CZ 3.4Å; I350-D374 HydrophobicContact CB-CB 4.33Å; I350-D374 PolarHBondContact N-OD2 3.01Å; I350-D374 WeakPolarHBondContact O-CB 3.46Å
351K63.9Low75.7Confident147 Ų14756.4 Ų56.464%0.63931%0.309SS*.THydrogen-bonded Turntrans-73.2144.2171.3-63.6-176179.9179.40108.4I353K351-I353 PolarHBondContact O-N 3.11Å
352E62.7Low76.1Confident102 Ų10252 Ų5248%0.47729%0.286SS..THydrogen-bonded Turntrans76.97.2170.7-57.8153.7-163.300118S354 S355E352-S354 PolarHBondContact O-N 3.28Å; E352-S355 PolarHBondContact O-N 2.89Å; E352-S355 PolarHBondContact O-OG 2.98Å
353I66.9Low76.6Confident2 Ų253.8 Ų53.81%0.0130%0.296CS..G310 helixtrans-66.9-18.2175.1-144.6175.9000113.7L340 I350 K351 S355 L356 L359 L362 D374 I375 M378L340-I353 HydrophobicContact CD2-CD1 4.28Å; I350-I353 HydrophobicContact CD1-CD1 4.41Å; I350-I353 HydrophobicContact CG2-CB 3.78Å; I350-I353 HydrophobicContact CG2-CD1 4.08Å; I350-I353 HydrophobicContact CG2-CG1 4.2Å; K351-I353 PolarHBondContact O-N 3.11Å; I353-S355 PolarHBondContact O-N 3.36Å; I353-S355 VanDerWaalsContact O-N 3.11Å; I353-L356 HydrophobicContact CG1-CD1 3.77Å; I353-L356 HydrophobicContact CG1-CG 4.43Å; I353-L356 WeakPolarHBondContact O-CB 3.14Å; I353-L356 PolarHBondContact O-N 3.44Å; I353-L359 HydrophobicContact CD1-CD2 4.32Å; I353-L362 HydrophobicContact CD1-CD1 4.25Å; I353-L362 HydrophobicContact CD1-CD2 3.87Å; I353-D374 WeakPolarHBondContact CG2-O 3.19Å; I353-I375 HydrophobicContact CD1-CG2 4.5Å; I353-M378 HydrophobicContact CD1-CE 4.29Å; I353-M378 HydrophobicContact CD1-SD 4.04Å; I353-M378 HydrophobicContact CG1-SD 4.09Å; I353-M378 HydrophobicContact CG2-SD 4.24Å
354S63.6Low76.8Confident87 Ų8750 Ų5061%0.60828%0.279SS*.G310 helixtrans-61.5-17.2176.751.40000113.8E352 L356E352-S354 PolarHBondContact O-N 3.28Å; S354-L356 VanDerWaalsContact C-N 3.35Å
355S65.9Low77.4Confident54 Ų5448.7 Ų48.738%0.37826%0.264SS..G310 helixtrans-77.9-16.1174.963.70000113.8E352 I353 S357E352-S355 PolarHBondContact O-N 2.89Å; E352-S355 PolarHBondContact O-OG 2.98Å; I353-S355 PolarHBondContact O-N 3.36Å; I353-S355 VanDerWaalsContact O-N 3.11Å; S355-S357 PolarHBondContact O-N 2.86Å
356L72.3Confident77.7Confident2 Ų253.1 Ų53.11%0.0128%0.283CS..  trans-90.666-175.5-57.3-178.8000112L334 I337 L340 I353 S354 A358 L359L334-L356 HydrophobicContact CB-CD2 3.8Å; L334-L356 HydrophobicContact CD2-CD2 4Å; L334-L356 HydrophobicContact CG-CD2 4.43Å; L334-L356 WeakPolarHBondContact O-CD2 3.39Å; I337-L356 HydrophobicContact CB-CD2 4.28Å; I337-L356 HydrophobicContact CD1-CD2 3.94Å; L340-L356 HydrophobicContact CD2-CD1 3.84Å; I353-L356 HydrophobicContact CG1-CD1 3.77Å; I353-L356 HydrophobicContact CG1-CG 4.43Å; I353-L356 WeakPolarHBondContact O-CB 3.14Å; I353-L356 PolarHBondContact O-N 3.44Å; S354-L356 VanDerWaalsContact C-N 3.35Å; L356-A358 PolarHBondContact O-N 2.86Å; L356-A358 VanDerWaalsContact O-N 3.16Å; L356-L359 HydrophobicContact CB-CB 4.23Å; L356-L359 PolarHBondContact O-N 3.01Å
357S74.4Confident78Confident81 Ų8151.5 Ų51.557%0.56627%0.271SS*.THydrogen-bonded Turntrans-66.8-16.2-175.760.90000115S355 N380S355-S357 PolarHBondContact O-N 2.86Å; S357-N380 PolarHBondContact O-ND2 3.2Å
358A76.5Confident78.4Confident30 Ų3056.5 Ų56.525%0.24829%0.292CS..THydrogen-bonded Turntrans-97.20.5-178.300000114.2S335 I337 L356 R360S335-A358 WeakPolarHBondContact O-CB 3.25Å; I337-A358 CarbonylContact O-C 3.31Å; L356-A358 PolarHBondContact O-N 2.86Å; L356-A358 VanDerWaalsContact O-N 3.16Å; A358-R360 PolarHBondContact O-N 2.72Å
359L83.8Confident78.7Confident1 Ų153.1 Ų53.11%0.00527%0.268CS..  trans-69.3129.5-173.1-163.773.2000111.8I337 L340 I353 L356 L362 M378 N380 L381I337-L359 HydrophobicContact CG2-CD1 3.93Å; I337-L359 WeakPolarHBondContact O-CA 3.07Å; I337-L359 PolarHBondContact O-N 3.35Å; L340-L359 HydrophobicContact CB-CD1 3.57Å; L340-L359 HydrophobicContact CB-CD2 4.27Å; I353-L359 HydrophobicContact CD1-CD2 4.32Å; L356-L359 HydrophobicContact CB-CB 4.23Å; L356-L359 PolarHBondContact O-N 3.01Å; L359-L362 HydrophobicContact CD2-CB 4.09Å; L359-L362 HydrophobicContact CD2-CD1 4.27Å; L359-L362 HydrophobicContact CD2-CD2 4.45Å; L359-M378 HydrophobicContact CD2-SD 3.88Å; L359-N380 CarbonylContact O-C 3.52Å; L359-L381 HydrophobicContact CD2-CD1 4.23Å; L359-L381 HydrophobicContact CG-CD1 4.25Å
360R86.8Confident79.2Confident126 Ų12649.8 Ų49.848%0.47526%0.26SS..  trans-115.7-35.9179.5-64-175.1-177.4-157.96.4112.8T338 A358 L381 E382 V383T338-R360 PolarHBondContact O-N 3.24Å; A358-R360 PolarHBondContact O-N 2.72Å; R360-L381 WeakPolarHBondContact O-CD1 3.41Å; R360-E382 HydrophobicContact CB-CG 4.39Å; R360-E382 WeakPolarHBondContact CD-OE1 3.3Å; R360-E382 IonicContact CZ-OE1 2.87Å; R360-E382 IonicContact NE-OE1 3.88Å; R360-E382 IonicContact NH1-OE1 3.46Å; R360-E382 PolarHBondContact NH1-OE1 3.24Å; R360-E382 WeakPolarHBondContact O-CA 3.41Å; R360-E382 PolarHBondContact O-N 3.5Å; R360-V383 PolarHBondContact O-N 3.41Å
361H90.4Very high79.7Confident68 Ų6856.8 Ų56.832%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-122.2123.8-179.8-60.7-88.8000110.5T338 V339 L340 V383T338-H361 PolarHBondContact O-N 3.11Å; V339-H361 WeakPolarHBondContact CA-O 3.46Å; V339-H361 HydrophobicContact CB-CB 4.38Å; V339-H361 HydrophobicContact CG1-CB 4.09Å; V339-H361 HydrophobicContact CG2-CB 4.11Å; L340-H361 PolarHBondContact N-O 3.16Å; H361-V383 WeakPolarHBondContact CA-O 3.43Å; H361-V383 WeakPolarHBondContact CE1-CG2 3.3Å; H361-V383 VanDerWaalsContact ND1-CB 3.29Å; H361-V383 WeakPolarHBondContact ND1-CB 3.09Å; H361-V383 WeakPolarHBondContact ND1-CG2 3.37Å
362L89.3Confident80.7Confident1 Ų150 Ų501%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-127.3120.8178.1178.758.5000110.7L340 I353 L359 I364 I375 M378 L381 V383 L384 D385L340-L362 HydrophobicContact CB-CD1 4.13Å; L340-L362 HydrophobicContact CD2-CD1 4.01Å; L340-L362 HydrophobicContact CG-CD1 4.14Å; L340-L362 WeakPolarHBondContact O-CA 3.41Å; I353-L362 HydrophobicContact CD1-CD1 4.25Å; I353-L362 HydrophobicContact CD1-CD2 3.87Å; L359-L362 HydrophobicContact CD2-CB 4.09Å; L359-L362 HydrophobicContact CD2-CD1 4.27Å; L359-L362 HydrophobicContact CD2-CD2 4.45Å; L362-I364 HydrophobicContact CD1-CG2 3.76Å; L362-I364 HydrophobicContact CD2-CG2 4.28Å; L362-I364 HydrophobicContact CG-CG2 3.89Å; L362-I375 HydrophobicContact CD2-CG2 3.85Å; L362-M378 HydrophobicContact CD2-CE 3.95Å; L362-L381 HydrophobicContact CB-CD1 3.75Å; L362-L381 HydrophobicContact CB-CD2 4.43Å; L362-V383 PolarHBondContact N-O 3.25Å; L362-L384 HydrophobicContact CB-CD1 4.03Å; L362-L384 HydrophobicContact CD2-CD1 3.92Å; L362-L384 HydrophobicContact CG-CD1 3.91Å; L362-L384 WeakPolarHBondContact O-CA 3.18Å; L362-D385 PolarHBondContact O-N 3.33Å
363T88.9Confident81.6Confident36 Ų3648.8 Ų48.822%0.22125%0.254CS..EExtended strand (participates in β ladder)trans-112.5115.3173.5-57.90000109.4L340 L342 H343 S365 D385L340-T363 PolarHBondContact O-N 3Å; L342-T363 WeakPolarHBondContact CA-O 3.47Å; L342-T363 PolarHBondContact N-O 3.33Å; H343-T363 HydrophobicContact CB-CG2 4.29Å; T363-S365 WeakPolarHBondContact CG2-OG 3.46Å; T363-D385 HydrophobicContact CG2-CB 4.17Å
364I88.1Confident82Confident1 Ų151.4 Ų51.41%0.00527%0.267CS..  trans-123.125.5178.259.9173.7000111.5L342 I350 L362 N367 F369 L372 L384 D385 A386 N389L342-I364 HydrophobicContact CB-CG2 4.33Å; L342-I364 HydrophobicContact CD1-CG2 4.33Å; I350-I364 HydrophobicContact CD1-CG2 3.84Å; L362-I364 HydrophobicContact CD1-CG2 3.76Å; L362-I364 HydrophobicContact CD2-CG2 4.28Å; L362-I364 HydrophobicContact CG-CG2 3.89Å; I364-N367 VanDerWaalsContact C-ND2 3.34Å; I364-N367 PolarHBondContact O-ND2 3.12Å; I364-F369 HydrophobicContact CB-CD2 4.45Å; I364-F369 HydrophobicContact CB-CE2 4.1Å; I364-F369 HydrophobicContact CD1-CD2 4.26Å; I364-F369 HydrophobicContact CD1-CE2 4.46Å; I364-L372 HydrophobicContact CD1-CD2 3.66Å; I364-L384 HydrophobicContact CD1-CD1 4.28Å; I364-L384 HydrophobicContact CG1-CD1 4.32Å; I364-D385 WeakPolarHBondContact CG1-O 3.46Å; I364-D385 PolarHBondContact N-O 3Å; I364-A386 HydrophobicContact CD1-CB 3.93Å; I364-A386 HydrophobicContact CG1-CB 3.91Å; I364-N389 PolarHBondContact O-ND2 2.89Å
365S86.9Confident82.7Confident5 Ų547.4 Ų47.44%0.03524%0.239CC..  trans-67.2154.9-177.853.40000113.8H343 G344 T363 N367 D385 S387H343-S365 CarbonylContact C-O 3.56Å; H343-S365 VanDerWaalsContact CA-O 3.26Å; H343-S365 WeakPolarHBondContact CA-O 3.25Å; H343-S365 PolarHBondContact ND1-OG 3.1Å; G344-S365 PolarHBondContact N-O 2.98Å; T363-S365 WeakPolarHBondContact CG2-OG 3.46Å; S365-N367 PolarHBondContact O-ND2 3.26Å; S365-D385 WeakPolarHBondContact CB-OD2 3.31Å; S365-D385 PolarHBondContact N-O 2.79Å; S365-D385 PolarHBondContact OG-OD2 2.87Å; S365-S387 CarbonylContact C-O 3.56Å; S365-S387 WeakPolarHBondContact CA-O 3.41Å; S365-S387 WeakPolarHBondContact CB-O 3.35Å; S365-S387 VanDerWaalsContact CB-OG 3.26Å; S365-S387 WeakPolarHBondContact CB-OG 3.15Å
366F82.6Confident83Confident100 Ų10045.7 Ų45.744%0.43923%0.228SC..SBendtrans5751.2-178.4-69.2-97.8000113.6H343 G344 S387 F388H343-F366 AromaticContact CE1-CD2 3.18Å; H343-F366 WeakPolarHBondContact CE1-CD2 3.37Å; H343-F366 AromaticContact CE1-CE2 3.81Å; H343-F366 AromaticContact CE1-CG 3.74Å; H343-F366 AromaticContact ND1-CD2 3.59Å; G344-F366 VanDerWaalsContact CA-O 3.29Å; G344-F366 WeakPolarHBondContact CA-O 3.49Å; G344-F366 PolarHBondContact N-O 3.27Å; F366-S387 PolarHBondContact N-O 3.07Å; F366-S387 VanDerWaalsContact N-O 3.12Å; F366-F388 VanDerWaalsContact CA-O 3.23Å; F366-F388 WeakPolarHBondContact CA-O 3.37Å; F366-F388 HydrophobicContact CD1-CB 3.96Å; F366-F388 HydrophobicContact CD1-CD1 4.4Å; F366-F388 HydrophobicContact CD1-CG 4.17Å; F366-F388 HydrophobicContact CD2-CB 3.85Å; F366-F388 AromaticContact CD2-CD2 3.97Å; F366-F388 HydrophobicContact CD2-CD2 3.97Å; F366-F388 HydrophobicContact CD2-CG 4.03Å; F366-F388 HydrophobicContact CE1-CB 4.11Å; F366-F388 AromaticContact CE1-CD1 3.76Å; F366-F388 HydrophobicContact CE1-CD1 3.76Å; F366-F388 HydrophobicContact CE1-CD2 4.27Å; F366-F388 HydrophobicContact CE1-CE1 4.21Å; F366-F388 AromaticContact CE1-CG 3.79Å; F366-F388 HydrophobicContact CE1-CG 3.79Å; F366-F388 HydrophobicContact CE2-CB 4.03Å; F366-F388 HydrophobicContact CE2-CD1 4.34Å; F366-F388 AromaticContact CE2-CD2 3.35Å; F366-F388 HydrophobicContact CE2-CD2 3.35Å; F366-F388 AromaticContact CE2-CE2 3.81Å; F366-F388 HydrophobicContact CE2-CE2 3.81Å; F366-F388 AromaticContact CE2-CG 3.66Å; F366-F388 HydrophobicContact CE2-CG 3.66Å; F366-F388 HydrophobicContact CE2-CZ 4.46Å; F366-F388 HydrophobicContact CG-CB 3.85Å; F366-F388 HydrophobicContact CG-CG 4.29Å; F366-F388 HydrophobicContact CZ-CB 4.15Å; F366-F388 AromaticContact CZ-CD1 3.74Å; F366-F388 HydrophobicContact CZ-CD1 3.74Å; F366-F388 AromaticContact CZ-CD2 3.52Å; F366-F388 HydrophobicContact CZ-CD2 3.52Å; F366-F388 AromaticContact CZ-CE1 3.93Å; F366-F388 HydrophobicContact CZ-CE1 3.93Å; F366-F388 AromaticContact CZ-CE2 3.73Å; F366-F388 HydrophobicContact CZ-CE2 3.73Å; F366-F388 AromaticContact CZ-CG 3.53Å; F366-F388 HydrophobicContact CZ-CG 3.53Å; F366-F388 AromaticContact CZ-CZ 3.91Å; F366-F388 HydrophobicContact CZ-CZ 3.91Å; F366-F388 PolarHBondContact N-O 2.71Å
367N85.3Confident82.8Confident11 Ų1152.4 Ų52.46%0.05926%0.258CS..SBendtrans-126.1-167176.6-78.7-66.4000110.5L342 N345 S346 L347 I364 S365 F369 F388 N389L342-N367 PolarHBondContact O-ND2 3.49Å; N345-N367 VanDerWaalsContact C-OD1 3.23Å; N345-N367 WeakPolarHBondContact CA-OD1 3.5Å; N345-N367 PolarHBondContact N-OD1 3.28Å; N345-N367 VanDerWaalsContact N-OD1 3.09Å; S346-N367 PolarHBondContact N-OD1 2.96Å; L347-N367 HydrophobicContact CB-CB 4.46Å; L347-N367 PolarHBondContact N-OD1 2.79Å; I364-N367 VanDerWaalsContact C-ND2 3.34Å; I364-N367 PolarHBondContact O-ND2 3.12Å; S365-N367 PolarHBondContact O-ND2 3.26Å; N367-F369 HydrophobicContact CB-CD2 3.54Å; N367-F369 HydrophobicContact CB-CE2 3.58Å; N367-F388 PolarHBondContact N-O 3.03Å; N367-N389 VanDerWaalsContact CA-OD1 3.3Å; N367-N389 WeakPolarHBondContact CA-OD1 3.32Å; N367-N389 WeakPolarHBondContact CB-OD1 3.29Å; N367-N389 PolarHBondContact N-OD1 2.83Å; N367-N389 PolarHBondContact O-OD1 3.44Å
368K86.1Confident82.9Confident113 Ų11348.8 Ų48.849%0.49123%0.233SC..  trans-119.832.3-178.5-62.1-171.7176.3-170.40111.8L347 T370 N389L347-K368 CarbonylContact O-C 3.28Å; L347-K368 VanDerWaalsContact O-C 3.3Å; L347-K368 WeakPolarHBondContact O-CA 3.25Å; L347-K368 PolarHBondContact O-N 2.89Å; K368-T370 PolarHBondContact O-N 3.39Å; K368-N389 PolarHBondContact N-OD1 2.84Å
369F86.3Confident82.9Confident3 Ų350.6 Ų50.61%0.01324%0.242CC..  trans-69128.5178.6-71-77000110.3L347 S348 I350 I364 N367 N389 E390 L391L347-F369 HydrophobicContact CB-CE2 3.81Å; L347-F369 HydrophobicContact CB-CZ 3.6Å; L347-F369 PolarHBondContact O-N 3.2Å; S348-F369 WeakPolarHBondContact O-CD1 3.48Å; I350-F369 HydrophobicContact CD1-CE1 4.17Å; I350-F369 HydrophobicContact CD1-CE2 4.44Å; I350-F369 HydrophobicContact CD1-CZ 3.67Å; I350-F369 HydrophobicContact CG1-CE1 3.69Å; I350-F369 HydrophobicContact CG1-CZ 3.4Å; I350-F369 VanDerWaalsContact CG1-CZ 3.4Å; I364-F369 HydrophobicContact CB-CD2 4.45Å; I364-F369 HydrophobicContact CB-CE2 4.1Å; I364-F369 HydrophobicContact CD1-CD2 4.26Å; I364-F369 HydrophobicContact CD1-CE2 4.46Å; N367-F369 HydrophobicContact CB-CD2 3.54Å; N367-F369 HydrophobicContact CB-CE2 3.58Å; F369-N389 HydrophobicContact CB-CB 4.44Å; F369-N389 WeakPolarHBondContact CD2-OD1 3.38Å; F369-N389 PolarHBondContact N-OD1 2.93Å; F369-N389 VanDerWaalsContact N-OD1 3.09Å; F369-E390 CarbonylContact O-C 3.44Å; F369-E390 VanDerWaalsContact O-CA 3.29Å; F369-E390 WeakPolarHBondContact O-CA 3.22Å; F369-E390 PolarHBondContact O-N 2.77Å; F369-L391 HydrophobicContact CB-CD2 3.95Å; F369-L391 PolarHBondContact O-N 2.67Å; F369-L391 VanDerWaalsContact O-N 3.13Å
370T86.6Confident82.8Confident71 Ų7154.2 Ų54.244%0.43626%0.261SS..SBendtrans-101.6-24.8174.754.50000112.7K368 E390 V392K368-T370 PolarHBondContact O-N 3.39Å; T370-E390 WeakPolarHBondContact CA-O 3.47Å; T370-E390 HydrophobicContact CG2-CB 4.2Å; T370-V392 PolarHBondContact O-N 2.89Å
371R86.4Confident82.9Confident152 Ų15248.2 Ų48.257%0.57424%0.239SC*.  trans-145159.3176.4-61.9-175.9-178.7-179.3-2.4109.6T393R371-T393 HydrophobicContact CG-CG2 4.45Å
372L84.9Confident82.9Confident5 Ų547.3 Ų47.33%0.02623%0.234CC..  trans-113.338.1-177.9-65.9179.2000112.7I364 D374 I375 A386 L391 G396 L397I364-L372 HydrophobicContact CD1-CD2 3.66Å; L372-D374 VanDerWaalsContact C-N 3.26Å; L372-D374 PolarHBondContact O-N 3.44Å; L372-I375 HydrophobicContact CB-CD1 3.94Å; L372-I375 HydrophobicContact CB-CG1 3.96Å; L372-I375 HydrophobicContact CD1-CD1 4.16Å; L372-I375 HydrophobicContact CD2-CD1 4.43Å; L372-I375 HydrophobicContact CG-CD1 4.4Å; L372-I375 WeakPolarHBondContact O-CG1 3.21Å; L372-A386 HydrophobicContact CD1-CB 4.43Å; L372-L391 HydrophobicContact CD1-CD1 3.74Å; L372-L391 HydrophobicContact CD1-CD2 4.38Å; L372-L391 HydrophobicContact CD2-CD1 4.27Å; L372-L391 HydrophobicContact CD2-CD2 3.9Å; L372-L391 HydrophobicContact CG-CD1 3.97Å; L372-L391 HydrophobicContact CG-CD2 3.68Å; L372-G396 CarbonylContact O-C 3.13Å; L372-G396 VanDerWaalsContact O-C 3.28Å; L372-G396 VanDerWaalsContact O-O 3.05Å; L372-L397 HydrophobicContact CB-CD2 4.39Å; L372-L397 HydrophobicContact CD1-CD2 3.87Å; L372-L397 HydrophobicContact CD1-CG 4.16Å
373D81.6Confident83.1Confident76 Ų7648.7 Ų48.741%0.40624%0.243SC..G310 helixtrans-68-28.5-176.1-57.8-31.2000112.3I375 S376 G396D373-I375 PolarHBondContact O-N 3.23Å; D373-S376 WeakPolarHBondContact O-CB 3.34Å; D373-S376 PolarHBondContact O-N 2.86Å; D373-S376 PolarHBondContact O-OG 3.09Å; D373-G396 VanDerWaalsContact OD1-CA 3.24Å; D373-G396 WeakPolarHBondContact OD1-CA 3.21Å
374D75.4Confident83.2Confident56 Ų5647 Ų4730%0.29923%0.233SC..G310 helixtrans-68.1-18-174.9-61.5-36.7000113.3K349 I350 I353 L372K349-D374 WeakPolarHBondContact CA-OD2 3.39Å; I350-D374 HydrophobicContact CB-CB 4.33Å; I350-D374 PolarHBondContact N-OD2 3.01Å; I350-D374 WeakPolarHBondContact O-CB 3.46Å; I353-D374 WeakPolarHBondContact CG2-O 3.19Å; L372-D374 VanDerWaalsContact C-N 3.26Å; L372-D374 PolarHBondContact O-N 3.44Å
375I77.8Confident83.4Confident3 Ų348.7 Ų48.72%0.01524%0.241CC..G310 helixtrans-100.35.4-17757.8167.3000114.2I353 L362 L372 D373 H377 M378 L384 L397I353-I375 HydrophobicContact CD1-CG2 4.5Å; L362-I375 HydrophobicContact CD2-CG2 3.85Å; L372-I375 HydrophobicContact CB-CD1 3.94Å; L372-I375 HydrophobicContact CB-CG1 3.96Å; L372-I375 HydrophobicContact CD1-CD1 4.16Å; L372-I375 HydrophobicContact CD2-CD1 4.43Å; L372-I375 HydrophobicContact CG-CD1 4.4Å; L372-I375 WeakPolarHBondContact O-CG1 3.21Å; D373-I375 PolarHBondContact O-N 3.23Å; I375-H377 PolarHBondContact O-N 3.49Å; I375-M378 HydrophobicContact CB-CE 3.5Å; I375-M378 VanDerWaalsContact CB-CE 3.5Å; I375-M378 HydrophobicContact CG2-CE 3.47Å; I375-M378 VanDerWaalsContact CG2-CE 3.47Å; I375-L384 HydrophobicContact CD1-CD2 3.48Å; I375-L384 VanDerWaalsContact CD1-CD2 3.48Å; I375-L397 HydrophobicContact CD1-CD2 3.34Å; I375-L397 HydrophobicContact CG1-CD2 4.17Å
376S72.3Confident83.6Confident19 Ų1948.4 Ų48.413%0.13324%0.24CC..THydrogen-bonded Turntrans-65.4-0.3-174.653.50000116.3D373 Q398D373-S376 WeakPolarHBondContact O-CB 3.34Å; D373-S376 PolarHBondContact O-N 2.86Å; D373-S376 PolarHBondContact O-OG 3.09Å; S376-Q398 CarbonylContact C-O 3.18Å; S376-Q398 VanDerWaalsContact O-O 3.09Å
377H68.7Low84Confident142 Ų14244 Ų4466%0.65722%0.221SC*.THydrogen-bonded Turntrans-126.719.4-174.1-63.9-64000114.6I375 P379I375-H377 PolarHBondContact O-N 3.49Å; H377-P379 WeakPolarHBondContact O-CD 3.49Å
378M75.2Confident84.1Confident6 Ų647 Ų473%0.0323%0.234CC..  trans-112.183.5-177-64.2-174-54.800112.7I353 L359 L362 I375 N380 L381 L400I353-M378 HydrophobicContact CD1-CE 4.29Å; I353-M378 HydrophobicContact CD1-SD 4.04Å; I353-M378 HydrophobicContact CG1-SD 4.09Å; I353-M378 HydrophobicContact CG2-SD 4.24Å; L359-M378 HydrophobicContact CD2-SD 3.88Å; L362-M378 HydrophobicContact CD2-CE 3.95Å; I375-M378 HydrophobicContact CB-CE 3.5Å; I375-M378 VanDerWaalsContact CB-CE 3.5Å; I375-M378 HydrophobicContact CG2-CE 3.47Å; I375-M378 VanDerWaalsContact CG2-CE 3.47Å; M378-N380 PolarHBondContact O-N 3.15Å; M378-L381 HydrophobicContact CB-CB 4.41Å; M378-L381 HydrophobicContact CE-CD2 4.09Å; M378-L381 PolarHBondContact O-N 3.4Å; M378-L400 HydrophobicContact CB-CD2 4.33Å; M378-L400 WeakPolarHBondContact O-CD2 3.34Å
379P76.9Confident84.3Confident67 Ų6742.1 Ų42.144%0.43521%0.213SC..THydrogen-bonded Turntrans-68.7-21-173.528.1-36.1000114.2H377 Q402H377-P379 WeakPolarHBondContact O-CD 3.49Å; P379-Q402 WeakPolarHBondContact O-CB 3.23Å; P379-Q402 WeakPolarHBondContact O-CG 3.33Å
380N83.1Confident84.5Confident78 Ų7845.6 Ų45.642%0.41723%0.229SC..THydrogen-bonded Turntrans-93.43.5-175-64.3-33.7000113.9S357 L359 M378 E382S357-N380 PolarHBondContact O-ND2 3.2Å; L359-N380 CarbonylContact O-C 3.52Å; M378-N380 PolarHBondContact O-N 3.15Å; N380-E382 PolarHBondContact O-N 3.39Å
381L87.9Confident84.6Confident0 Ų042.2 Ų42.20%021%0.209CC..  trans-70.8124.2-178.6-165.474000110.2L359 R360 L362 M378 L384 L400 Q402 L403L359-L381 HydrophobicContact CD2-CD1 4.23Å; L359-L381 HydrophobicContact CG-CD1 4.25Å; R360-L381 WeakPolarHBondContact O-CD1 3.41Å; L362-L381 HydrophobicContact CB-CD1 3.75Å; L362-L381 HydrophobicContact CB-CD2 4.43Å; M378-L381 HydrophobicContact CB-CB 4.41Å; M378-L381 HydrophobicContact CE-CD2 4.09Å; M378-L381 PolarHBondContact O-N 3.4Å; L381-L384 HydrophobicContact CD2-CB 4.03Å; L381-L384 HydrophobicContact CD2-CD1 4.42Å; L381-L384 HydrophobicContact CD2-CD2 4.43Å; L381-L400 HydrophobicContact CB-CD2 4.34Å; L381-Q402 CarbonylContact O-C 3.43Å; L381-L403 HydrophobicContact CB-CD1 4.47Å; L381-L403 HydrophobicContact CD2-CD1 4Å; L381-L403 HydrophobicContact CG-CD1 4.05Å; L381-L403 WeakPolarHBondContact O-CA 3.4Å; L381-L403 PolarHBondContact O-N 3.14Å; L381-L403 VanDerWaalsContact O-N 3.08Å
382E91.3Very high84.6Confident48 Ų4838.7 Ų38.722%0.22420%0.204CC..  trans-102.1-38-178.5-66.1176.2-16100111.7R360 N380 Q404 E405R360-E382 HydrophobicContact CB-CG 4.39Å; R360-E382 WeakPolarHBondContact CD-OE1 3.3Å; R360-E382 IonicContact CZ-OE1 2.87Å; R360-E382 IonicContact NE-OE1 3.88Å; R360-E382 IonicContact NH1-OE1 3.46Å; R360-E382 PolarHBondContact NH1-OE1 3.24Å; R360-E382 WeakPolarHBondContact O-CA 3.41Å; R360-E382 PolarHBondContact O-N 3.5Å; N380-E382 PolarHBondContact O-N 3.39Å; E382-Q404 PolarHBondContact O-N 3.32Å; E382-E405 PolarHBondContact O-N 2.8Å
383V92Very high84.7Confident31 Ų3139.5 Ų39.519%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-131.9130.4-178.3-177.30000111.3R360 H361 L362 E405R360-V383 PolarHBondContact O-N 3.41Å; H361-V383 WeakPolarHBondContact CA-O 3.43Å; H361-V383 WeakPolarHBondContact CE1-CG2 3.3Å; H361-V383 VanDerWaalsContact ND1-CB 3.29Å; H361-V383 WeakPolarHBondContact ND1-CB 3.09Å; H361-V383 WeakPolarHBondContact ND1-CG2 3.37Å; L362-V383 PolarHBondContact N-O 3.25Å; V383-E405 WeakPolarHBondContact CA-O 3.32Å; V383-E405 HydrophobicContact CB-CB 4.41Å; V383-E405 HydrophobicContact CG1-CB 4.07Å; V383-E405 HydrophobicContact CG1-CG 4.18Å; V383-E405 HydrophobicContact CG2-CB 4.07Å
384L92.3Very high84.9Confident1 Ų136 Ų361%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-129.6116.7175.7178.758.4000111L362 I364 I375 L381 L397 L403 E405 L406 N407L362-L384 HydrophobicContact CB-CD1 4.03Å; L362-L384 HydrophobicContact CD2-CD1 3.92Å; L362-L384 HydrophobicContact CG-CD1 3.91Å; L362-L384 WeakPolarHBondContact O-CA 3.18Å; I364-L384 HydrophobicContact CD1-CD1 4.28Å; I364-L384 HydrophobicContact CG1-CD1 4.32Å; I375-L384 HydrophobicContact CD1-CD2 3.48Å; I375-L384 VanDerWaalsContact CD1-CD2 3.48Å; L381-L384 HydrophobicContact CD2-CB 4.03Å; L381-L384 HydrophobicContact CD2-CD1 4.42Å; L381-L384 HydrophobicContact CD2-CD2 4.43Å; L384-L397 HydrophobicContact CD2-CD2 3.85Å; L384-L403 HydrophobicContact CB-CD1 3.87Å; L384-E405 PolarHBondContact N-O 2.94Å; L384-L406 HydrophobicContact CB-CD1 3.89Å; L384-L406 HydrophobicContact CD2-CD1 3.74Å; L384-L406 HydrophobicContact CG-CD1 3.84Å; L384-L406 WeakPolarHBondContact O-CA 3.49Å; L384-N407 PolarHBondContact O-N 3.36Å
385D91.9Very high85.2Confident35 Ų3538.8 Ų38.819%0.18720%0.202CC..EExtended strand (participates in β ladder)trans-103.9105.2168.2175.719000110.4L362 T363 I364 S365 S387 N407L362-D385 PolarHBondContact O-N 3.33Å; T363-D385 HydrophobicContact CG2-CB 4.17Å; I364-D385 WeakPolarHBondContact CG1-O 3.46Å; I364-D385 PolarHBondContact N-O 3Å; S365-D385 WeakPolarHBondContact CB-OD2 3.31Å; S365-D385 PolarHBondContact N-O 2.79Å; S365-D385 PolarHBondContact OG-OD2 2.87Å; D385-S387 VanDerWaalsContact OD1-CB 3.25Å; D385-S387 WeakPolarHBondContact OD1-CB 3.36Å; D385-S387 PolarHBondContact OD1-N 3.21Å; D385-S387 PolarHBondContact OD1-OG 3.44Å; D385-N407 HydrophobicContact CB-CB 4.48Å
386A91Very high85.1Confident0 Ų038.7 Ų38.70%020%0.201CC..  trans-113.225.6175.600000112.7I364 L372 N389 L391 N407 V408 N411I364-A386 HydrophobicContact CD1-CB 3.93Å; I364-A386 HydrophobicContact CG1-CB 3.91Å; L372-A386 HydrophobicContact CD1-CB 4.43Å; A386-N389 PolarHBondContact O-ND2 2.84Å; A386-N389 VanDerWaalsContact O-ND2 3.17Å; A386-L391 HydrophobicContact CB-CD1 4.12Å; A386-N407 CarbonylContact C-O 3.27Å; A386-N407 WeakPolarHBondContact CA-O 3.25Å; A386-N407 PolarHBondContact N-O 3.43Å; A386-V408 HydrophobicContact CB-CG1 4.49Å; A386-N411 PolarHBondContact O-ND2 2.84Å
387S91.5Very high85.6Confident7 Ų737.8 Ų37.85%0.04920%0.195CC..  trans-65.7157.3179.360.90000113.5S365 F366 D385 N389 N407 S409S365-S387 CarbonylContact C-O 3.56Å; S365-S387 WeakPolarHBondContact CA-O 3.41Å; S365-S387 WeakPolarHBondContact CB-O 3.35Å; S365-S387 VanDerWaalsContact CB-OG 3.26Å; S365-S387 WeakPolarHBondContact CB-OG 3.15Å; F366-S387 PolarHBondContact N-O 3.07Å; F366-S387 VanDerWaalsContact N-O 3.12Å; D385-S387 VanDerWaalsContact OD1-CB 3.25Å; D385-S387 WeakPolarHBondContact OD1-CB 3.36Å; D385-S387 PolarHBondContact OD1-N 3.21Å; D385-S387 PolarHBondContact OD1-OG 3.44Å; S387-N389 PolarHBondContact O-N 2.89Å; S387-N389 PolarHBondContact O-ND2 3.18Å; S387-N389 VanDerWaalsContact O-ND2 3.13Å; S387-N407 PolarHBondContact N-O 3.18Å; S387-S409 CarbonylContact C-O 3.41Å; S387-S409 WeakPolarHBondContact CA-O 3.42Å; S387-S409 WeakPolarHBondContact CB-OG 3.32Å
388F87.9Confident86.1Confident74 Ų7435.3 Ų35.333%0.32518%0.184SC..SBendtrans53.857.3178.7-64.6-90.8000112.8F366 N367 S409 W410F366-F388 VanDerWaalsContact CA-O 3.23Å; F366-F388 WeakPolarHBondContact CA-O 3.37Å; F366-F388 HydrophobicContact CD1-CB 3.96Å; F366-F388 HydrophobicContact CD1-CD1 4.4Å; F366-F388 HydrophobicContact CD1-CG 4.17Å; F366-F388 HydrophobicContact CD2-CB 3.85Å; F366-F388 AromaticContact CD2-CD2 3.97Å; F366-F388 HydrophobicContact CD2-CD2 3.97Å; F366-F388 HydrophobicContact CD2-CG 4.03Å; F366-F388 HydrophobicContact CE1-CB 4.11Å; F366-F388 AromaticContact CE1-CD1 3.76Å; F366-F388 HydrophobicContact CE1-CD1 3.76Å; F366-F388 HydrophobicContact CE1-CD2 4.27Å; F366-F388 HydrophobicContact CE1-CE1 4.21Å; F366-F388 AromaticContact CE1-CG 3.79Å; F366-F388 HydrophobicContact CE1-CG 3.79Å; F366-F388 HydrophobicContact CE2-CB 4.03Å; F366-F388 HydrophobicContact CE2-CD1 4.34Å; F366-F388 AromaticContact CE2-CD2 3.35Å; F366-F388 HydrophobicContact CE2-CD2 3.35Å; F366-F388 AromaticContact CE2-CE2 3.81Å; F366-F388 HydrophobicContact CE2-CE2 3.81Å; F366-F388 AromaticContact CE2-CG 3.66Å; F366-F388 HydrophobicContact CE2-CG 3.66Å; F366-F388 HydrophobicContact CE2-CZ 4.46Å; F366-F388 HydrophobicContact CG-CB 3.85Å; F366-F388 HydrophobicContact CG-CG 4.29Å; F366-F388 HydrophobicContact CZ-CB 4.15Å; F366-F388 AromaticContact CZ-CD1 3.74Å; F366-F388 HydrophobicContact CZ-CD1 3.74Å; F366-F388 AromaticContact CZ-CD2 3.52Å; F366-F388 HydrophobicContact CZ-CD2 3.52Å; F366-F388 AromaticContact CZ-CE1 3.93Å; F366-F388 HydrophobicContact CZ-CE1 3.93Å; F366-F388 AromaticContact CZ-CE2 3.73Å; F366-F388 HydrophobicContact CZ-CE2 3.73Å; F366-F388 AromaticContact CZ-CG 3.53Å; F366-F388 HydrophobicContact CZ-CG 3.53Å; F366-F388 AromaticContact CZ-CZ 3.91Å; F366-F388 HydrophobicContact CZ-CZ 3.91Å; F366-F388 PolarHBondContact N-O 2.71Å; N367-F388 PolarHBondContact N-O 3.03Å; F388-S409 PolarHBondContact N-O 2.76Å; F388-W410 VanDerWaalsContact CA-O 3.27Å; F388-W410 WeakPolarHBondContact CA-O 3.46Å; F388-W410 HydrophobicContact CB-CB 4.44Å; F388-W410 HydrophobicContact CD1-CB 3.69Å; F388-W410 HydrophobicContact CD1-CD2 4.19Å; F388-W410 AromaticContact CD1-CG 3.8Å; F388-W410 HydrophobicContact CD1-CG 3.8Å; F388-W410 HydrophobicContact CD2-CB 4.18Å; F388-W410 HydrophobicContact CD2-CG 4.35Å; F388-W410 HydrophobicContact CE1-CB 3.91Å; F388-W410 AromaticContact CE1-CD1 3.67Å; F388-W410 AromaticContact CE1-CD2 3.59Å; F388-W410 HydrophobicContact CE1-CD2 3.59Å; F388-W410 AromaticContact CE1-CE2 3.89Å; F388-W410 HydrophobicContact CE1-CE3 4.17Å; F388-W410 AromaticContact CE1-CG 3.46Å; F388-W410 HydrophobicContact CE1-CG 3.46Å; F388-W410 VanDerWaalsContact CE1-CG 3.46Å; F388-W410 AromaticContact CE1-NE1 3.9Å; F388-W410 HydrophobicContact CE2-CB 4.37Å; F388-W410 AromaticContact CE2-CD1 3.6Å; F388-W410 HydrophobicContact CE2-CG 4.05Å; F388-W410 HydrophobicContact CG-CB 3.84Å; F388-W410 HydrophobicContact CG-CG 4.24Å; F388-W410 HydrophobicContact CZ-CB 4.25Å; F388-W410 AromaticContact CZ-CD1 3.29Å; F388-W410 AromaticContact CZ-CD2 3.97Å; F388-W410 HydrophobicContact CZ-CD2 3.97Å; F388-W410 AromaticContact CZ-CE2 3.91Å; F388-W410 AromaticContact CZ-CG 3.61Å; F388-W410 HydrophobicContact CZ-CG 3.61Å; F388-W410 AromaticContact CZ-NE1 3.46Å; F388-W410 PolarHBondContact N-O 3.44Å
389N89.3Confident86.2Confident11 Ų1138.7 Ų38.76%0.05921%0.208CC..SBendtrans-130.9-173.7176.9-86.8-74.1000110.2I364 N367 K368 F369 A386 S387 L391 W410 N411I364-N389 PolarHBondContact O-ND2 2.89Å; N367-N389 VanDerWaalsContact CA-OD1 3.3Å; N367-N389 WeakPolarHBondContact CA-OD1 3.32Å; N367-N389 WeakPolarHBondContact CB-OD1 3.29Å; N367-N389 PolarHBondContact N-OD1 2.83Å; N367-N389 PolarHBondContact O-OD1 3.44Å; K368-N389 PolarHBondContact N-OD1 2.84Å; F369-N389 HydrophobicContact CB-CB 4.44Å; F369-N389 WeakPolarHBondContact CD2-OD1 3.38Å; F369-N389 PolarHBondContact N-OD1 2.93Å; F369-N389 VanDerWaalsContact N-OD1 3.09Å; A386-N389 PolarHBondContact O-ND2 2.84Å; A386-N389 VanDerWaalsContact O-ND2 3.17Å; S387-N389 PolarHBondContact O-N 2.89Å; S387-N389 PolarHBondContact O-ND2 3.18Å; S387-N389 VanDerWaalsContact O-ND2 3.13Å; N389-L391 HydrophobicContact CB-CG 4.18Å; N389-W410 PolarHBondContact N-O 3.41Å; N389-N411 WeakPolarHBondContact CA-OD1 3.27Å; N389-N411 WeakPolarHBondContact CB-OD1 3.47Å; N389-N411 PolarHBondContact O-OD1 2.76Å
390E90.1Very high86.5Confident75 Ų7535.5 Ų35.535%0.3519%0.187SC..  trans-111.231.7179-61.5-163.4-148.400112.2F369 T370 V392 K412F369-E390 CarbonylContact O-C 3.44Å; F369-E390 VanDerWaalsContact O-CA 3.29Å; F369-E390 WeakPolarHBondContact O-CA 3.22Å; F369-E390 PolarHBondContact O-N 2.77Å; T370-E390 WeakPolarHBondContact CA-O 3.47Å; T370-E390 HydrophobicContact CG2-CB 4.2Å; E390-V392 PolarHBondContact O-N 3.41Å; E390-K412 HydrophobicContact CB-CD 4.33Å; E390-K412 IonicContact OE2-NZ 3.47Å; E390-K412 PolarHBondContact OE2-NZ 3.21Å
391L89.1Confident86.4Confident0 Ų033.4 Ų33.40%018%0.184CC..  trans-65.1124.2-175.1-62.6175000110.9F369 L372 A386 N389 N411 K412 L413F369-L391 HydrophobicContact CB-CD2 3.95Å; F369-L391 PolarHBondContact O-N 2.67Å; F369-L391 VanDerWaalsContact O-N 3.13Å; L372-L391 HydrophobicContact CD1-CD1 3.74Å; L372-L391 HydrophobicContact CD1-CD2 4.38Å; L372-L391 HydrophobicContact CD2-CD1 4.27Å; L372-L391 HydrophobicContact CD2-CD2 3.9Å; L372-L391 HydrophobicContact CG-CD1 3.97Å; L372-L391 HydrophobicContact CG-CD2 3.68Å; A386-L391 HydrophobicContact CB-CD1 4.12Å; N389-L391 HydrophobicContact CB-CG 4.18Å; L391-N411 HydrophobicContact CB-CB 4.14Å; L391-N411 VanDerWaalsContact CB-OD1 3.22Å; L391-N411 WeakPolarHBondContact CB-OD1 3.36Å; L391-N411 VanDerWaalsContact CG-OD1 3.23Å; L391-N411 WeakPolarHBondContact CG-OD1 3.38Å; L391-N411 PolarHBondContact N-OD1 3.43Å; L391-K412 CarbonylContact O-C 3.08Å; L391-K412 WeakPolarHBondContact O-CA 3.31Å; L391-K412 WeakPolarHBondContact O-CB 3.07Å; L391-K412 PolarHBondContact O-N 2.75Å; L391-L413 HydrophobicContact CB-CD2 4.26Å; L391-L413 PolarHBondContact O-N 3.34Å
392V87Confident86.3Confident79 Ų7938.4 Ų38.448%0.47921%0.207SC..  trans-97.7-24.4177.8-175.70000111.6T370 E390 K412T370-V392 PolarHBondContact O-N 2.89Å; E390-V392 PolarHBondContact O-N 3.41Å; V392-K412 HydrophobicContact CG2-CB 4.39Å
393T85.8Confident86.2Confident22 Ų2236.1 Ų36.114%0.13520%0.196CC..  trans-152.3153-179.2179.50000111.4R371 E395 D419R371-T393 HydrophobicContact CG-CG2 4.45Å; T393-E395 HydrophobicContact CG2-CB 4.5Å; T393-E395 PolarHBondContact OG1-N 3.13Å; T393-D419 WeakPolarHBondContact CA-OD1 3.4Å
394L86.6Confident86.2Confident2 Ų238.1 Ų38.11%0.0120%0.204CC..  trans-944.1174.2-62.1-173.3000114.8G396 L397 V408 L413 D419 V422 L423L394-G396 PolarHBondContact O-N 3.17Å; L394-L397 HydrophobicContact CB-CD1 4.16Å; L394-L397 HydrophobicContact CD1-CD1 4.37Å; L394-L397 HydrophobicContact CD2-CD1 4.14Å; L394-L397 HydrophobicContact CG-CD1 4.46Å; L394-L397 WeakPolarHBondContact O-CB 2.97Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-V408 HydrophobicContact CD2-CG1 4.09Å; L394-L413 HydrophobicContact CD1-CD1 4.31Å; L394-L413 HydrophobicContact CD2-CD1 4.1Å; L394-L413 HydrophobicContact CD2-CD2 4.13Å; L394-L413 HydrophobicContact CG-CD1 4.14Å; L394-L413 HydrophobicContact CG-CD2 4.11Å; L394-D419 HydrophobicContact CB-CB 4.23Å; L394-D419 HydrophobicContact CD1-CB 3.92Å; L394-D419 HydrophobicContact CG-CB 4.02Å; L394-D419 PolarHBondContact N-OD1 2.92Å; L394-V422 HydrophobicContact CB-CG1 4.42Å; L394-V422 WeakPolarHBondContact O-CG1 3.48Å; L394-L423 HydrophobicContact CD1-CD1 3.94Å; L394-L423 HydrophobicContact CD1-CD2 4.05Å; L394-L423 HydrophobicContact CD1-CG 3.98Å
395E81.9Confident86.3Confident114 Ų11441.8 Ų41.853%0.53322%0.221SC..THydrogen-bonded Turntrans-53.4-22.1-177.1-78.2-175.9169.700115.7T393 L397 Q398 V422T393-E395 HydrophobicContact CG2-CB 4.5Å; T393-E395 PolarHBondContact OG1-N 3.13Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.13Å; E395-Q398 PolarHBondContact O-NE2 3Å; E395-V422 HydrophobicContact CG-CG2 4.03Å
396G74.3Confident86.3Confident1 Ų140.2 Ų40.21%0.0121%0.212CC..THydrogen-bonded Turntrans-72.4-18175.700000114.9L372 D373 L394 Q398L372-G396 CarbonylContact O-C 3.13Å; L372-G396 VanDerWaalsContact O-C 3.28Å; L372-G396 VanDerWaalsContact O-O 3.05Å; D373-G396 VanDerWaalsContact OD1-CA 3.24Å; D373-G396 WeakPolarHBondContact OD1-CA 3.21Å; L394-G396 PolarHBondContact O-N 3.17Å; G396-Q398 PolarHBondContact O-N 3.12Å
397L83.1Confident86.5Confident0 Ų041.9 Ų41.90%022%0.222CC..  trans-75.285.8175.7-65.2176.8000110.5L372 I375 L384 L394 E395 L400 L406 V422 L423 H426L372-L397 HydrophobicContact CB-CD2 4.39Å; L372-L397 HydrophobicContact CD1-CD2 3.87Å; L372-L397 HydrophobicContact CD1-CG 4.16Å; I375-L397 HydrophobicContact CD1-CD2 3.34Å; I375-L397 HydrophobicContact CG1-CD2 4.17Å; L384-L397 HydrophobicContact CD2-CD2 3.85Å; L394-L397 HydrophobicContact CB-CD1 4.16Å; L394-L397 HydrophobicContact CD1-CD1 4.37Å; L394-L397 HydrophobicContact CD2-CD1 4.14Å; L394-L397 HydrophobicContact CG-CD1 4.46Å; L394-L397 WeakPolarHBondContact O-CB 2.97Å; L394-L397 PolarHBondContact O-N 2.95Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.13Å; L397-L400 HydrophobicContact CB-CD1 4.33Å; L397-L400 HydrophobicContact CD2-CD1 3.57Å; L397-L406 HydrophobicContact CD1-CD2 4.03Å; L397-V422 HydrophobicContact CB-CG1 4.29Å; L397-L423 HydrophobicContact CD1-CD2 3.82Å; L397-H426 WeakPolarHBondContact O-CB 3.44Å; L397-H426 PolarHBondContact O-CD2 2.76Å; L397-H426 VanDerWaalsContact O-CG 3.3Å
398Q80Confident86.5Confident91 Ų9141.6 Ų41.643%0.42522%0.22SC..  trans-112.6140.9177.6-58.7-177.517.400110.9S376 E395 G396 L400S376-Q398 CarbonylContact C-O 3.18Å; S376-Q398 VanDerWaalsContact O-O 3.09Å; E395-Q398 PolarHBondContact O-NE2 3Å; G396-Q398 PolarHBondContact O-N 3.12Å; Q398-L400 PolarHBondContact O-N 3.5Å
399S77.9Confident86.7Confident77 Ų7738.4 Ų38.454%0.53821%0.206SC..SBendtrans61.132.5169.2-50.80000116.4G401 H426S399-G401 PolarHBondContact O-N 3.15Å; S399-H426 PolarHBondContact N-ND1 2.96Å
400L82.2Confident86.7Confident0 Ų043.7 Ų43.70%023%0.226CC..  trans-94.666.1178.6-62.3179.7000111.8M378 L381 L397 Q398 Q402 L403 H426 T427M378-L400 HydrophobicContact CB-CD2 4.33Å; M378-L400 WeakPolarHBondContact O-CD2 3.34Å; L381-L400 HydrophobicContact CB-CD2 4.34Å; L397-L400 HydrophobicContact CB-CD1 4.33Å; L397-L400 HydrophobicContact CD2-CD1 3.57Å; Q398-L400 PolarHBondContact O-N 3.5Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 2.65Å; L400-L403 HydrophobicContact CB-CB 4.19Å; L400-L403 HydrophobicContact CD1-CD2 4.23Å; L400-L403 PolarHBondContact O-N 2.63Å; L400-H426 CarbonylContact C-O 3.15Å; L400-H426 WeakPolarHBondContact CA-O 3.2Å; L400-H426 PolarHBondContact N-O 3.46Å; L400-H426 VanDerWaalsContact N-O 3.11Å; L400-H426 VanDerWaalsContact O-O 3.07Å; L400-T427 HydrophobicContact CB-CG2 3.95Å
401G80.3Confident86.8Confident33 Ų3340.6 Ų40.634%0.3421%0.211SC..THydrogen-bonded Turntrans-61.7-28.7-172.200000115.5S399 A429S399-G401 PolarHBondContact O-N 3.15Å; G401-A429 VanDerWaalsContact O-CB 3.3Å; G401-A429 WeakPolarHBondContact O-CB 3.26Å
402Q86Confident86.8Confident105 Ų10545.3 Ų45.349%0.49123%0.232SC..THydrogen-bonded Turntrans-101.54.3-174.3-61.9-64.9-22.200114.2P379 L381 L400 Q404P379-Q402 WeakPolarHBondContact O-CB 3.23Å; P379-Q402 WeakPolarHBondContact O-CG 3.33Å; L381-Q402 CarbonylContact O-C 3.43Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 2.65Å; Q402-Q404 PolarHBondContact O-N 3.43Å
403L90.3Very high86.9Confident0 Ų041.6 Ų41.60%021%0.209CC..  trans-69.8119.6-175.7-167.975.3000110.8L381 L384 L400 L406 T427 A429 L430L381-L403 HydrophobicContact CB-CD1 4.47Å; L381-L403 HydrophobicContact CD2-CD1 4Å; L381-L403 HydrophobicContact CG-CD1 4.05Å; L381-L403 WeakPolarHBondContact O-CA 3.4Å; L381-L403 PolarHBondContact O-N 3.14Å; L381-L403 VanDerWaalsContact O-N 3.08Å; L384-L403 HydrophobicContact CB-CD1 3.87Å; L400-L403 HydrophobicContact CB-CB 4.19Å; L400-L403 HydrophobicContact CD1-CD2 4.23Å; L400-L403 PolarHBondContact O-N 2.63Å; L403-L406 HydrophobicContact CD2-CB 4.14Å; L403-L406 HydrophobicContact CD2-CD1 4.38Å; L403-L406 HydrophobicContact CD2-CD2 4.44Å; L403-T427 HydrophobicContact CB-CG2 4.13Å; L403-T427 HydrophobicContact CD2-CG2 3.69Å; L403-A429 CarbonylContact O-C 3.53Å; L403-L430 HydrophobicContact CD2-CD1 4.26Å; L403-L430 HydrophobicContact CG-CD1 4.28Å; L403-L430 WeakPolarHBondContact O-CA 3.42Å; L403-L430 PolarHBondContact O-N 2.63Å; L403-L430 VanDerWaalsContact O-N 3.16Å
404Q91.4Very high86.6Confident74 Ų7442.8 Ų42.835%0.34622%0.216SC..  trans-104.1-36.9-178.1-63.3178.221.500112.2E382 Q402 Q431 K432E382-Q404 PolarHBondContact O-N 3.32Å; Q402-Q404 PolarHBondContact O-N 3.43Å; Q404-Q431 PolarHBondContact O-N 3.34Å; Q404-K432 PolarHBondContact O-N 3Å
405E93.6Very high86.3Confident78 Ų7847.1 Ų47.136%0.36424%0.235SC..EExtended strand (participates in β ladder)trans-127126-177.2-177.2167.8160.400111.3E382 V383 L384 K432E382-E405 PolarHBondContact O-N 2.8Å; V383-E405 WeakPolarHBondContact CA-O 3.32Å; V383-E405 HydrophobicContact CB-CB 4.41Å; V383-E405 HydrophobicContact CG1-CB 4.07Å; V383-E405 HydrophobicContact CG1-CG 4.18Å; V383-E405 HydrophobicContact CG2-CB 4.07Å; L384-E405 PolarHBondContact N-O 2.94Å; E405-K432 WeakPolarHBondContact CA-O 3.33Å; E405-K432 HydrophobicContact CB-CB 4.17Å; E405-K432 HydrophobicContact CG-CB 3.94Å; E405-K432 HydrophobicContact CG-CD 4.27Å; E405-K432 WeakPolarHBondContact OE2-CD 3.38Å; E405-K432 IonicContact OE2-NZ 3.94Å; E405-K432 PolarHBondContact OE2-NZ 3.2Å
406L93.7Very high86.3Confident1 Ų142.2 Ų42.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-131.9120.6179.1178.360.3000110.6L384 L397 L403 V408 L423 L430 K432 L433 D434L384-L406 HydrophobicContact CB-CD1 3.89Å; L384-L406 HydrophobicContact CD2-CD1 3.74Å; L384-L406 HydrophobicContact CG-CD1 3.84Å; L384-L406 WeakPolarHBondContact O-CA 3.49Å; L397-L406 HydrophobicContact CD1-CD2 4.03Å; L403-L406 HydrophobicContact CD2-CB 4.14Å; L403-L406 HydrophobicContact CD2-CD1 4.38Å; L403-L406 HydrophobicContact CD2-CD2 4.44Å; L406-V408 HydrophobicContact CD1-CG1 3.82Å; L406-V408 HydrophobicContact CD2-CG1 4.21Å; L406-V408 HydrophobicContact CG-CG1 3.92Å; L406-L423 HydrophobicContact CD2-CD2 3.46Å; L406-L423 VanDerWaalsContact CD2-CD2 3.46Å; L406-L430 HydrophobicContact CB-CD1 3.73Å; L406-K432 PolarHBondContact N-O 3.47Å; L406-L433 HydrophobicContact CB-CD1 4.02Å; L406-L433 HydrophobicContact CD2-CD1 3.92Å; L406-L433 HydrophobicContact CG-CD1 3.97Å; L406-L433 CarbonylContact O-C 3.49Å; L406-L433 VanDerWaalsContact O-CA 3.31Å; L406-L433 WeakPolarHBondContact O-CA 3.4Å; L406-D434 PolarHBondContact O-N 3.43Å
407N93.4Very high86.4Confident36 Ų3645.4 Ų45.419%0.19323%0.225CC..EExtended strand (participates in β ladder)trans-108.6116.4170-171.5-14.1000110L384 D385 A386 S387 S409 D434L384-N407 PolarHBondContact O-N 3.36Å; D385-N407 HydrophobicContact CB-CB 4.48Å; A386-N407 CarbonylContact C-O 3.27Å; A386-N407 WeakPolarHBondContact CA-O 3.25Å; A386-N407 PolarHBondContact N-O 3.43Å; S387-N407 PolarHBondContact N-O 3.18Å; N407-S409 WeakPolarHBondContact OD1-CB 3.34Å; N407-S409 PolarHBondContact OD1-N 3.48Å; N407-S409 PolarHBondContact OD1-OG 3.36Å; N407-D434 HydrophobicContact CB-CB 4.41Å
408V92.6Very high86.2Confident1 Ų149.3 Ų49.31%0.00624%0.243CC..  trans-123.223.1175.1-67.20000111.4A386 L394 L406 N411 L413 L433 D434 T435 N438A386-V408 HydrophobicContact CB-CG1 4.49Å; L394-V408 HydrophobicContact CD2-CG1 4.09Å; L406-V408 HydrophobicContact CD1-CG1 3.82Å; L406-V408 HydrophobicContact CD2-CG1 4.21Å; L406-V408 HydrophobicContact CG-CG1 3.92Å; V408-N411 PolarHBondContact O-ND2 3.16Å; V408-L413 HydrophobicContact CB-CD1 4.23Å; V408-L413 HydrophobicContact CG2-CD1 4.07Å; V408-L433 HydrophobicContact CG2-CD1 4.3Å; V408-D434 CarbonylContact C-O 3.46Å; V408-D434 VanDerWaalsContact CG2-O 3.23Å; V408-D434 WeakPolarHBondContact CG2-O 3.31Å; V408-D434 PolarHBondContact N-O 3.03Å; V408-T435 HydrophobicContact CG2-CG2 4.15Å; V408-N438 PolarHBondContact O-ND2 3.01Å
409S91.9Very high86.5Confident7 Ų745.1 Ų45.15%0.04922%0.224CC..  trans-63.8155177.763.40000112.4S387 F388 N407 N411 D434 R436S387-S409 CarbonylContact C-O 3.41Å; S387-S409 WeakPolarHBondContact CA-O 3.42Å; S387-S409 WeakPolarHBondContact CB-OG 3.32Å; F388-S409 PolarHBondContact N-O 2.76Å; N407-S409 WeakPolarHBondContact OD1-CB 3.34Å; N407-S409 PolarHBondContact OD1-N 3.48Å; N407-S409 PolarHBondContact OD1-OG 3.36Å; S409-N411 PolarHBondContact O-ND2 3.36Å; S409-N411 VanDerWaalsContact O-ND2 3.16Å; S409-D434 PolarHBondContact N-O 3.42Å; S409-R436 CarbonylContact C-O 3.55Å; S409-R436 WeakPolarHBondContact CA-O 3.44Å; S409-R436 VanDerWaalsContact CB-O 3.32Å; S409-R436 WeakPolarHBondContact CB-O 3.28Å
410W89.5Confident86.7Confident122 Ų12241.7 Ų41.746%0.46220%0.199SC..SBendtrans55.755.4-179.4-67.593.3000113.1F388 N389 R436 Y437F388-W410 VanDerWaalsContact CA-O 3.27Å; F388-W410 WeakPolarHBondContact CA-O 3.46Å; F388-W410 HydrophobicContact CB-CB 4.44Å; F388-W410 HydrophobicContact CD1-CB 3.69Å; F388-W410 HydrophobicContact CD1-CD2 4.19Å; F388-W410 AromaticContact CD1-CG 3.8Å; F388-W410 HydrophobicContact CD1-CG 3.8Å; F388-W410 HydrophobicContact CD2-CB 4.18Å; F388-W410 HydrophobicContact CD2-CG 4.35Å; F388-W410 HydrophobicContact CE1-CB 3.91Å; F388-W410 AromaticContact CE1-CD1 3.67Å; F388-W410 AromaticContact CE1-CD2 3.59Å; F388-W410 HydrophobicContact CE1-CD2 3.59Å; F388-W410 AromaticContact CE1-CE2 3.89Å; F388-W410 HydrophobicContact CE1-CE3 4.17Å; F388-W410 AromaticContact CE1-CG 3.46Å; F388-W410 HydrophobicContact CE1-CG 3.46Å; F388-W410 VanDerWaalsContact CE1-CG 3.46Å; F388-W410 AromaticContact CE1-NE1 3.9Å; F388-W410 HydrophobicContact CE2-CB 4.37Å; F388-W410 AromaticContact CE2-CD1 3.6Å; F388-W410 HydrophobicContact CE2-CG 4.05Å; F388-W410 HydrophobicContact CG-CB 3.84Å; F388-W410 HydrophobicContact CG-CG 4.24Å; F388-W410 HydrophobicContact CZ-CB 4.25Å; F388-W410 AromaticContact CZ-CD1 3.29Å; F388-W410 AromaticContact CZ-CD2 3.97Å; F388-W410 HydrophobicContact CZ-CD2 3.97Å; F388-W410 AromaticContact CZ-CE2 3.91Å; F388-W410 AromaticContact CZ-CG 3.61Å; F388-W410 HydrophobicContact CZ-CG 3.61Å; F388-W410 AromaticContact CZ-NE1 3.46Å; F388-W410 PolarHBondContact N-O 3.44Å; N389-W410 PolarHBondContact N-O 3.41Å; W410-R436 PolarHBondContact N-O 2.98Å; W410-Y437 VanDerWaalsContact CA-O 3.28Å; W410-Y437 WeakPolarHBondContact CA-O 3.41Å; W410-Y437 AromaticContact CD1-CD2 3.58Å; W410-Y437 AromaticContact CD1-CG 3.99Å; W410-Y437 HydrophobicContact CD2-CD2 4.21Å; W410-Y437 AromaticContact CD2-CG 3.87Å; W410-Y437 HydrophobicContact CD2-CG 3.87Å; W410-Y437 AromaticContact CE2-CD1 3.88Å; W410-Y437 AromaticContact CE2-CD2 3.49Å; W410-Y437 VanDerWaalsContact CE2-CD2 3.49Å; W410-Y437 AromaticContact CE2-CG 3.4Å; W410-Y437 HydrophobicContact CG-CD2 4.26Å; W410-Y437 HydrophobicContact CG-CG 4.22Å; W410-Y437 HydrophobicContact CH2-CD1 4.09Å; W410-Y437 HydrophobicContact CH2-CE1 4.48Å; W410-Y437 HydrophobicContact CH2-CG 4.38Å; W410-Y437 AromaticContact CZ2-CD1 3.65Å; W410-Y437 HydrophobicContact CZ2-CD1 3.65Å; W410-Y437 AromaticContact CZ2-CD2 3.99Å; W410-Y437 HydrophobicContact CZ2-CD2 3.99Å; W410-Y437 AromaticContact CZ2-CE1 3.88Å; W410-Y437 HydrophobicContact CZ2-CE1 3.88Å; W410-Y437 HydrophobicContact CZ2-CE2 4.19Å; W410-Y437 AromaticContact CZ2-CG 3.7Å; W410-Y437 HydrophobicContact CZ2-CG 3.7Å; W410-Y437 PolarHBondContact N-O 2.79Å; W410-Y437 AromaticContact NE1-CD2 3.05Å; W410-Y437 AromaticContact NE1-CE2 3.54Å; W410-Y437 AromaticContact NE1-CG 3.49Å
411N91.8Very high86.8Confident9 Ų943.2 Ų43.25%0.04821%0.212CC..SBendtrans-128.5-173.5176.6-85.8-76.9000110.8A386 N389 L391 V408 S409 L413 Y437 N438 P439A386-N411 PolarHBondContact O-ND2 2.84Å; N389-N411 WeakPolarHBondContact CA-OD1 3.27Å; N389-N411 WeakPolarHBondContact CB-OD1 3.47Å; N389-N411 PolarHBondContact O-OD1 2.76Å; L391-N411 HydrophobicContact CB-CB 4.14Å; L391-N411 VanDerWaalsContact CB-OD1 3.22Å; L391-N411 WeakPolarHBondContact CB-OD1 3.36Å; L391-N411 VanDerWaalsContact CG-OD1 3.23Å; L391-N411 WeakPolarHBondContact CG-OD1 3.38Å; L391-N411 PolarHBondContact N-OD1 3.43Å; V408-N411 PolarHBondContact O-ND2 3.16Å; S409-N411 PolarHBondContact O-ND2 3.36Å; S409-N411 VanDerWaalsContact O-ND2 3.16Å; N411-L413 HydrophobicContact CB-CG 4.33Å; N411-Y437 PolarHBondContact N-O 3.07Å; N411-N438 VanDerWaalsContact CA-OD1 3.26Å; N411-N438 WeakPolarHBondContact CA-OD1 3.38Å; N411-N438 WeakPolarHBondContact CB-OD1 3.44Å; N411-N438 PolarHBondContact N-OD1 3.36Å; N411-N438 PolarHBondContact O-OD1 3.09Å; N411-P439 WeakPolarHBondContact O-CD 3.39Å
412K89.9Confident87Confident100 Ų10042.6 Ų42.644%0.43520%0.202SC..  trans-109.330-178.3-64.1-179.6-179.61710112.2E390 L391 V392 T414E390-K412 HydrophobicContact CB-CD 4.33Å; E390-K412 IonicContact OE2-NZ 3.47Å; E390-K412 PolarHBondContact OE2-NZ 3.21Å; L391-K412 CarbonylContact O-C 3.08Å; L391-K412 WeakPolarHBondContact O-CA 3.31Å; L391-K412 WeakPolarHBondContact O-CB 3.07Å; L391-K412 PolarHBondContact O-N 2.75Å; V392-K412 HydrophobicContact CG2-CB 4.39Å; K412-T414 PolarHBondContact O-N 3.1Å
413L87.6Confident87Confident0 Ų037.8 Ų37.80%018%0.179CC..  trans-71.7126.8180-57.8174.1000110.1L391 L394 V408 N411 N438 P439 W440L391-L413 HydrophobicContact CB-CD2 4.26Å; L391-L413 PolarHBondContact O-N 3.34Å; L394-L413 HydrophobicContact CD1-CD1 4.31Å; L394-L413 HydrophobicContact CD2-CD1 4.1Å; L394-L413 HydrophobicContact CD2-CD2 4.13Å; L394-L413 HydrophobicContact CG-CD1 4.14Å; L394-L413 HydrophobicContact CG-CD2 4.11Å; V408-L413 HydrophobicContact CB-CD1 4.23Å; V408-L413 HydrophobicContact CG2-CD1 4.07Å; N411-L413 HydrophobicContact CB-CG 4.33Å; L413-N438 HydrophobicContact CB-CB 4.25Å; L413-N438 WeakPolarHBondContact CB-OD1 3.39Å; L413-N438 WeakPolarHBondContact CG-OD1 3.33Å; L413-N438 PolarHBondContact N-OD1 2.67Å; L413-N438 VanDerWaalsContact N-OD1 3.11Å; L413-P439 CarbonylContact O-C 3.19Å; L413-P439 VanDerWaalsContact O-C 3.28Å; L413-P439 VanDerWaalsContact O-CD 3.3Å; L413-P439 WeakPolarHBondContact O-CD 3.34Å; L413-W440 HydrophobicContact CB-CE3 4.15Å; L413-W440 HydrophobicContact CB-CH2 3.35Å; L413-W440 HydrophobicContact CB-CZ2 3.92Å; L413-W440 HydrophobicContact CB-CZ3 3.47Å; L413-W440 VanDerWaalsContact CB-CZ3 3.47Å; L413-W440 HydrophobicContact CD1-CH2 3.57Å; L413-W440 HydrophobicContact CD1-CZ2 3.97Å; L413-W440 HydrophobicContact CD1-CZ3 4.48Å; L413-W440 HydrophobicContact CG-CH2 4.08Å
414T81.3Confident86.8Confident47 Ų4744.7 Ų44.729%0.28821%0.205SC..  trans-112.2-27.7-176.551.10000112.5K412 P439 I441K412-T414 PolarHBondContact O-N 3.1Å; T414-P439 WeakPolarHBondContact CA-O 3.45Å; T414-P439 HydrophobicContact CG2-CG 4.03Å; T414-I441 WeakPolarHBondContact O-CG1 3.47Å; T414-I441 PolarHBondContact O-N 3.45Å
415K79.9Confident86.5Confident93 Ų9348.7 Ų48.740%0.40422%0.222SC..  trans-116.582.3-165.9-62.3-174.7-173.7178.80112.6R417 E418 D419K415-R417 PolarHBondContact O-N 3.22Å; K415-E418 HydrophobicContact CB-CB 4.24Å; K415-E418 HydrophobicContact CD-CG 4.21Å; K415-E418 WeakPolarHBondContact CD-OE1 3.23Å; K415-E418 WeakPolarHBondContact CD-OE2 3.07Å; K415-E418 IonicContact NZ-OE1 2.83Å; K415-E418 PolarHBondContact NZ-OE1 3.44Å; K415-E418 IonicContact NZ-OE2 3.58Å; K415-E418 PolarHBondContact NZ-OE2 3.19Å; K415-E418 PolarHBondContact O-N 3.12Å; K415-D419 PolarHBondContact O-N 3.16Å; K415-D419 VanDerWaalsContact O-N 3.12Å; K415-D419 VanDerWaalsContact O-OD2 3.06Å
416V82.5Confident86.1Confident12 Ų1246.6 Ų46.67%0.07321%0.212CC..Hα-helixtrans-45.7-40.4177-1700000112.5T420 W440 V446 T449 I450V416-T420 HydrophobicContact CG1-CG2 3.93Å; V416-T420 WeakPolarHBondContact O-CB 3.29Å; V416-T420 WeakPolarHBondContact O-CG2 3.11Å; V416-T420 PolarHBondContact O-N 3.36Å; V416-T420 PolarHBondContact O-OG1 2.86Å; V416-W440 HydrophobicContact CB-CE3 4.17Å; V416-W440 HydrophobicContact CB-CZ3 4.36Å; V416-W440 HydrophobicContact CG2-CB 4.07Å; V416-W440 HydrophobicContact CG2-CD2 3.75Å; V416-W440 HydrophobicContact CG2-CE3 3.35Å; V416-W440 HydrophobicContact CG2-CG 4.09Å; V416-W440 HydrophobicContact CG2-CZ3 4Å; V416-V446 HydrophobicContact CG1-CG1 4.2Å; V416-V446 HydrophobicContact CG2-CB 4.29Å; V416-V446 HydrophobicContact CG2-CG1 4.06Å; V416-V446 HydrophobicContact CG2-CG2 3.71Å; V416-T449 HydrophobicContact CG1-CG2 3.86Å; V416-I450 HydrophobicContact CG1-CG1 4.06Å
417R75.2Confident85.7Confident67 Ų6746.6 Ų46.625%0.25321%0.212SC..Hα-helixtrans-74.2-32.5-176.6-62.3-170.587.4-170.96.3114.5K415 A421 T449 R453 F543K415-R417 PolarHBondContact O-N 3.22Å; R417-A421 VanDerWaalsContact O-CB 3.26Å; R417-A421 WeakPolarHBondContact O-CB 3.38Å; R417-A421 PolarHBondContact O-N 3.08Å; R417-T449 HydrophobicContact CG-CG2 4.41Å; R417-R453 VanDerWaalsContact C-NH1 3.32Å; R417-R453 PolarHBondContact O-NH1 3.06Å; R417-F543 VanDerWaalsContact NE-CE1 3.33Å
418E79.4Confident85.2Confident83 Ų8348.6 Ų48.639%0.38823%0.227SC..Hα-helixtrans-76.8-46.6177.8-71.1173.1-158.800108K415 T420 A421 V422K415-E418 HydrophobicContact CB-CB 4.24Å; K415-E418 HydrophobicContact CD-CG 4.21Å; K415-E418 WeakPolarHBondContact CD-OE1 3.23Å; K415-E418 WeakPolarHBondContact CD-OE2 3.07Å; K415-E418 IonicContact NZ-OE1 2.83Å; K415-E418 PolarHBondContact NZ-OE1 3.44Å; K415-E418 IonicContact NZ-OE2 3.58Å; K415-E418 PolarHBondContact NZ-OE2 3.19Å; K415-E418 PolarHBondContact O-N 3.12Å; E418-T420 PolarHBondContact O-N 3.38Å; E418-A421 WeakPolarHBondContact O-CB 3.39Å; E418-A421 PolarHBondContact O-N 2.9Å; E418-A421 VanDerWaalsContact O-N 3.11Å; E418-V422 WeakPolarHBondContact O-CG2 3.05Å; E418-V422 PolarHBondContact O-N 2.94Å
419D85.3Confident84.8Confident3 Ų350.1 Ų50.12%0.01624%0.239CC..Hα-helixtrans-64.8-45.1-178-61.6-41.8000112.5T393 L394 K415 A421 V422 L423T393-D419 WeakPolarHBondContact CA-OD1 3.4Å; L394-D419 HydrophobicContact CB-CB 4.23Å; L394-D419 HydrophobicContact CD1-CB 3.92Å; L394-D419 HydrophobicContact CG-CB 4.02Å; L394-D419 PolarHBondContact N-OD1 2.92Å; K415-D419 PolarHBondContact O-N 3.16Å; K415-D419 VanDerWaalsContact O-N 3.12Å; K415-D419 VanDerWaalsContact O-OD2 3.06Å; D419-A421 VanDerWaalsContact C-N 3.29Å; D419-A421 PolarHBondContact O-N 3.3Å; D419-V422 WeakPolarHBondContact O-CB 3.25Å; D419-V422 PolarHBondContact O-N 3.29Å; D419-L423 WeakPolarHBondContact O-CG 3.33Å; D419-L423 PolarHBondContact O-N 2.76Å
420T83.6Confident84.7Confident4 Ų449.8 Ų49.83%0.02524%0.237CC..Hα-helixtrans-67.1-27.2174.454.80000113.4V416 E418 R424 I450 R453V416-T420 HydrophobicContact CG1-CG2 3.93Å; V416-T420 WeakPolarHBondContact O-CB 3.29Å; V416-T420 WeakPolarHBondContact O-CG2 3.11Å; V416-T420 PolarHBondContact O-N 3.36Å; V416-T420 PolarHBondContact O-OG1 2.86Å; E418-T420 PolarHBondContact O-N 3.38Å; T420-R424 VanDerWaalsContact O-CB 3.28Å; T420-R424 WeakPolarHBondContact O-CB 3.26Å; T420-R424 PolarHBondContact O-N 3.36Å; T420-I450 HydrophobicContact CG2-CB 4.37Å; T420-I450 HydrophobicContact CG2-CG1 3.67Å; T420-R453 VanDerWaalsContact OG1-CD 3.25Å; T420-R453 WeakPolarHBondContact OG1-CD 3.38Å; T420-R453 PolarHBondContact OG1-NH1 3.24Å
421A83.1Confident84.8Confident33 Ų3348 Ų4827%0.27323%0.234SC..Hα-helixtrans-72-36.5175.900000111.1R417 E418 D419 K425R417-A421 VanDerWaalsContact O-CB 3.26Å; R417-A421 WeakPolarHBondContact O-CB 3.38Å; R417-A421 PolarHBondContact O-N 3.08Å; E418-A421 WeakPolarHBondContact O-CB 3.39Å; E418-A421 PolarHBondContact O-N 2.9Å; E418-A421 VanDerWaalsContact O-N 3.11Å; D419-A421 VanDerWaalsContact C-N 3.29Å; D419-A421 PolarHBondContact O-N 3.3Å; A421-K425 WeakPolarHBondContact O-CB 3.16Å; A421-K425 PolarHBondContact O-N 2.83Å; A421-K425 VanDerWaalsContact O-N 3.14Å
422V84.8Confident84.8Confident19 Ų1951.7 Ų51.712%0.11525%0.249CC..Hα-helixtrans-62.8-51.6171.7172.10000110.1L394 E395 L397 E418 D419 R424 K425 H426L394-V422 HydrophobicContact CB-CG1 4.42Å; L394-V422 WeakPolarHBondContact O-CG1 3.48Å; E395-V422 HydrophobicContact CG-CG2 4.03Å; L397-V422 HydrophobicContact CB-CG1 4.29Å; E418-V422 WeakPolarHBondContact O-CG2 3.05Å; E418-V422 PolarHBondContact O-N 2.94Å; D419-V422 WeakPolarHBondContact O-CB 3.25Å; D419-V422 PolarHBondContact O-N 3.29Å; V422-R424 PolarHBondContact O-N 2.79Å; V422-K425 PolarHBondContact O-N 3.3Å; V422-K425 VanDerWaalsContact O-N 3.12Å; V422-H426 WeakPolarHBondContact O-CB 3.3Å; V422-H426 PolarHBondContact O-CD2 3.23Å; V422-H426 PolarHBondContact O-N 2.83Å
423L86.6Confident84.9Confident4 Ų447.1 Ų47.12%0.02123%0.23CC..Hα-helixtrans-56.9-49.3177.1-66.7176.3000111.9L394 L397 L406 D419 K425 H426 T427 L433 I454L394-L423 HydrophobicContact CD1-CD1 3.94Å; L394-L423 HydrophobicContact CD1-CD2 4.05Å; L394-L423 HydrophobicContact CD1-CG 3.98Å; L397-L423 HydrophobicContact CD1-CD2 3.82Å; L406-L423 HydrophobicContact CD2-CD2 3.46Å; L406-L423 VanDerWaalsContact CD2-CD2 3.46Å; D419-L423 WeakPolarHBondContact O-CG 3.33Å; D419-L423 PolarHBondContact O-N 2.76Å; L423-K425 PolarHBondContact O-N 3.35Å; L423-H426 PolarHBondContact O-N 2.77Å; L423-T427 WeakPolarHBondContact CA-OG1 3.37Å; L423-T427 HydrophobicContact CD2-CG2 4.42Å; L423-T427 CarbonylContact O-C 3.22Å; L423-T427 WeakPolarHBondContact O-CA 3.28Å; L423-T427 PolarHBondContact O-N 2.99Å; L423-T427 PolarHBondContact O-OG1 3.29Å; L423-L433 HydrophobicContact CD1-CD1 4.37Å; L423-L433 HydrophobicContact CD1-CD2 4.08Å; L423-I454 HydrophobicContact CB-CD1 3.77Å; L423-I454 HydrophobicContact CD1-CD1 4.02Å
424R84.8Confident85.1Confident145 Ų14548 Ų4855%0.54724%0.235SC..Hα-helixtrans-58.8-34.7178.5-173.2-176.267177.71113.2T420 V422 R453T420-R424 VanDerWaalsContact O-CB 3.28Å; T420-R424 WeakPolarHBondContact O-CB 3.26Å; T420-R424 PolarHBondContact O-N 3.36Å; V422-R424 PolarHBondContact O-N 2.79Å; R424-R453 WeakPolarHBondContact CD-O 3.27Å; R424-R453 WeakPolarHBondContact CG-O 3.46Å
425K85.8Confident85.5Confident159 Ų15946.1 Ų46.169%0.69122%0.223SC*.Hα-helixtrans-81.1-36.1-178-174.7-179.8173.2-162.50112.4A421 V422 L423A421-K425 WeakPolarHBondContact O-CB 3.16Å; A421-K425 PolarHBondContact O-N 2.83Å; A421-K425 VanDerWaalsContact O-N 3.14Å; V422-K425 PolarHBondContact O-N 3.3Å; V422-K425 VanDerWaalsContact O-N 3.12Å; L423-K425 PolarHBondContact O-N 3.35Å
426H84.8Confident85.9Confident34 Ų3446.9 Ų46.916%0.15722%0.223CC..Hα-helixtrans-113.2-14.3-166.7-66.3-68.5000114.8L397 S399 L400 V422 L423L397-H426 WeakPolarHBondContact O-CB 3.44Å; L397-H426 PolarHBondContact O-CD2 2.76Å; L397-H426 VanDerWaalsContact O-CG 3.3Å; S399-H426 PolarHBondContact N-ND1 2.96Å; L400-H426 CarbonylContact C-O 3.15Å; L400-H426 WeakPolarHBondContact CA-O 3.2Å; L400-H426 PolarHBondContact N-O 3.46Å; L400-H426 VanDerWaalsContact N-O 3.11Å; L400-H426 VanDerWaalsContact O-O 3.07Å; V422-H426 WeakPolarHBondContact O-CB 3.3Å; V422-H426 PolarHBondContact O-CD2 3.23Å; V422-H426 PolarHBondContact O-N 2.83Å; L423-H426 PolarHBondContact O-N 2.77Å
427T85.1Confident86.1Confident1 Ų153.3 Ų53.31%0.00625%0.247CC..  trans-129.368.6177.761.30000110.9L400 L403 L423 A429 L430L400-T427 HydrophobicContact CB-CG2 3.95Å; L403-T427 HydrophobicContact CB-CG2 4.13Å; L403-T427 HydrophobicContact CD2-CG2 3.69Å; L423-T427 WeakPolarHBondContact CA-OG1 3.37Å; L423-T427 HydrophobicContact CD2-CG2 4.42Å; L423-T427 CarbonylContact O-C 3.22Å; L423-T427 WeakPolarHBondContact O-CA 3.28Å; L423-T427 PolarHBondContact O-N 2.99Å; L423-T427 PolarHBondContact O-OG1 3.29Å; T427-A429 VanDerWaalsContact C-N 3.28Å; T427-A429 PolarHBondContact O-N 3.13Å; T427-L430 WeakPolarHBondContact O-CB 3.39Å; T427-L430 PolarHBondContact O-N 2.81Å
428P83.4Confident86.6Confident77 Ų7751 Ų5150%0.524%0.24SC..THydrogen-bonded Turntrans-70.9-19.7-176.629.6-36000113.9
429A85.2Confident86.8Confident33 Ų3350.5 Ų50.527%0.27324%0.244SC..THydrogen-bonded Turntrans-92.17.9-179.800000114G401 L403 T427 Q431G401-A429 VanDerWaalsContact O-CB 3.3Å; G401-A429 WeakPolarHBondContact O-CB 3.26Å; L403-A429 CarbonylContact O-C 3.53Å; T427-A429 VanDerWaalsContact C-N 3.28Å; T427-A429 PolarHBondContact O-N 3.13Å; A429-Q431 PolarHBondContact O-N 3.08Å
430L89.8Confident86.6Confident0 Ų051.8 Ų51.80%025%0.248CC..  trans-69.1125-172-168.571.7000111.6L403 L406 T427 L433 T456 L457L403-L430 HydrophobicContact CD2-CD1 4.26Å; L403-L430 HydrophobicContact CG-CD1 4.28Å; L403-L430 WeakPolarHBondContact O-CA 3.42Å; L403-L430 PolarHBondContact O-N 2.63Å; L403-L430 VanDerWaalsContact O-N 3.16Å; L406-L430 HydrophobicContact CB-CD1 3.73Å; T427-L430 WeakPolarHBondContact O-CB 3.39Å; T427-L430 PolarHBondContact O-N 2.81Å; L430-L433 HydrophobicContact CD2-CB 4.27Å; L430-L433 HydrophobicContact CD2-CD1 4.36Å; L430-L433 HydrophobicContact CD2-CD2 4.45Å; L430-T456 CarbonylContact O-C 3.57Å; L430-T456 WeakPolarHBondContact O-CB 3.13Å; L430-T456 PolarHBondContact O-OG1 3.11Å; L430-L457 HydrophobicContact CD2-CD2 4.25Å; L430-L457 HydrophobicContact CG-CD2 4.14Å
431Q90.3Very high85.8Confident86 Ų8654.6 Ų54.640%0.40226%0.263SS..  trans-113.8-37.8-177.9-65-178.116.500112.6Q404 A429 L457 T458 H459Q404-Q431 PolarHBondContact O-N 3.34Å; A429-Q431 PolarHBondContact O-N 3.08Å; Q431-L457 WeakPolarHBondContact O-CD2 3.39Å; Q431-T458 PolarHBondContact O-N 3.02Å; Q431-T458 PolarHBondContact O-OG1 3.36Å; Q431-H459 PolarHBondContact O-N 3.15Å
432K91.9Very high85.1Confident85 Ų8556.1 Ų56.137%0.3726%0.263SS..EExtended strand (participates in β ladder)trans-120.5127.7-179.2-60.1-174.1-177.4168.20110.6Q404 E405 L406 H459Q404-K432 PolarHBondContact O-N 3Å; E405-K432 WeakPolarHBondContact CA-O 3.33Å; E405-K432 HydrophobicContact CB-CB 4.17Å; E405-K432 HydrophobicContact CG-CB 3.94Å; E405-K432 HydrophobicContact CG-CD 4.27Å; E405-K432 WeakPolarHBondContact OE2-CD 3.38Å; E405-K432 IonicContact OE2-NZ 3.94Å; E405-K432 PolarHBondContact OE2-NZ 3.2Å; L406-K432 PolarHBondContact N-O 3.47Å; K432-H459 WeakPolarHBondContact CA-O 3.49Å; K432-H459 HydrophobicContact CB-CB 4.41Å; K432-H459 HydrophobicContact CG-CB 3.99Å
433L93.3Very high84.4Confident5 Ų559.8 Ų59.83%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-136.2129.8179.3177.663.6000110.7L406 V408 L423 L430 T435 I450 I454 L457 H459 L460 D461L406-L433 HydrophobicContact CB-CD1 4.02Å; L406-L433 HydrophobicContact CD2-CD1 3.92Å; L406-L433 HydrophobicContact CG-CD1 3.97Å; L406-L433 CarbonylContact O-C 3.49Å; L406-L433 VanDerWaalsContact O-CA 3.31Å; L406-L433 WeakPolarHBondContact O-CA 3.4Å; V408-L433 HydrophobicContact CG2-CD1 4.3Å; L423-L433 HydrophobicContact CD1-CD1 4.37Å; L423-L433 HydrophobicContact CD1-CD2 4.08Å; L430-L433 HydrophobicContact CD2-CB 4.27Å; L430-L433 HydrophobicContact CD2-CD1 4.36Å; L430-L433 HydrophobicContact CD2-CD2 4.45Å; L433-T435 HydrophobicContact CD1-CG2 3.99Å; L433-T435 HydrophobicContact CD2-CG2 3.8Å; L433-T435 HydrophobicContact CG-CG2 3.68Å; L433-I450 HydrophobicContact CD2-CG2 3.95Å; L433-I454 HydrophobicContact CD2-CD1 4.45Å; L433-L457 HydrophobicContact CB-CD1 4.44Å; L433-L457 HydrophobicContact CB-CD2 3.68Å; L433-L457 HydrophobicContact CD2-CD1 4.26Å; L433-H459 PolarHBondContact N-O 3.17Å; L433-L460 HydrophobicContact CB-CD1 4.24Å; L433-L460 HydrophobicContact CD2-CD1 4.22Å; L433-L460 HydrophobicContact CG-CD1 4.25Å; L433-L460 CarbonylContact O-C 3.59Å; L433-L460 WeakPolarHBondContact O-CA 3.2Å; L433-D461 PolarHBondContact O-N 3.11Å
434D90.6Very high83.6Confident19 Ų1968.6 Ų68.610%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-115.7120.1169.5-166.6-16.4000110.2L406 N407 V408 S409 R436L406-D434 PolarHBondContact O-N 3.43Å; N407-D434 HydrophobicContact CB-CB 4.41Å; V408-D434 CarbonylContact C-O 3.46Å; V408-D434 VanDerWaalsContact CG2-O 3.23Å; V408-D434 WeakPolarHBondContact CG2-O 3.31Å; V408-D434 PolarHBondContact N-O 3.03Å; S409-D434 PolarHBondContact N-O 3.42Å; D434-R436 WeakPolarHBondContact OD1-CB 3.35Å; D434-R436 WeakPolarHBondContact OD1-CG 3.25Å; D434-R436 IonicContact OD1-CZ 2.85Å; D434-R436 PolarHBondContact OD1-N 3.23Å; D434-R436 VanDerWaalsContact OD1-N 3.1Å; D434-R436 IonicContact OD1-NE 3.79Å; D434-R436 PolarHBondContact OD1-NE 2.92Å; D434-R436 IonicContact OD1-NH2 2.63Å; D434-R436 IonicContact OD2-CZ 2.86Å; D434-R436 IonicContact OD2-NE 2.97Å; D434-R436 PolarHBondContact OD2-NE 3.38Å; D434-R436 IonicContact OD2-NH2 2.99Å; D434-R436 PolarHBondContact OD2-NH2 3.43Å
435T90.3Very high83Confident6 Ų663 Ų634%0.03731%0.313CS..  trans-120.55.6-17763.10000113.5V408 L433 N438 W440 I450 D461V408-T435 HydrophobicContact CG2-CG2 4.15Å; L433-T435 HydrophobicContact CD1-CG2 3.99Å; L433-T435 HydrophobicContact CD2-CG2 3.8Å; L433-T435 HydrophobicContact CG-CG2 3.68Å; T435-N438 PolarHBondContact O-ND2 2.88Å; T435-W440 HydrophobicContact CG2-CZ2 4.22Å; T435-W440 PolarHBondContact O-NE1 2.89Å; T435-W440 VanDerWaalsContact O-NE1 3.11Å; T435-I450 HydrophobicContact CG2-CD1 3.89Å; T435-D461 WeakPolarHBondContact CA-OD1 3.32Å; T435-D461 PolarHBondContact N-OD1 3.16Å; T435-D461 PolarHBondContact OG1-OD1 3.34Å; T435-D461 PolarHBondContact OG1-OD2 3.15Å
436R87.6Confident82.7Confident109 Ų10955.8 Ų55.841%0.41128%0.282SS..  trans-60.2156.9-175-66.3178.2-70.2178.31.1112.4S409 W410 D434 N438 D461S409-R436 CarbonylContact C-O 3.55Å; S409-R436 WeakPolarHBondContact CA-O 3.44Å; S409-R436 VanDerWaalsContact CB-O 3.32Å; S409-R436 WeakPolarHBondContact CB-O 3.28Å; W410-R436 PolarHBondContact N-O 2.98Å; D434-R436 WeakPolarHBondContact OD1-CB 3.35Å; D434-R436 WeakPolarHBondContact OD1-CG 3.25Å; D434-R436 IonicContact OD1-CZ 2.85Å; D434-R436 PolarHBondContact OD1-N 3.23Å; D434-R436 VanDerWaalsContact OD1-N 3.1Å; D434-R436 IonicContact OD1-NE 3.79Å; D434-R436 PolarHBondContact OD1-NE 2.92Å; D434-R436 IonicContact OD1-NH2 2.63Å; D434-R436 IonicContact OD2-CZ 2.86Å; D434-R436 IonicContact OD2-NE 2.97Å; D434-R436 PolarHBondContact OD2-NE 3.38Å; D434-R436 IonicContact OD2-NH2 2.99Å; D434-R436 PolarHBondContact OD2-NH2 3.43Å; R436-N438 VanDerWaalsContact C-N 3.3Å; R436-N438 PolarHBondContact O-N 3.11Å; R436-N438 PolarHBondContact O-ND2 2.93Å; R436-D461 HydrophobicContact CG-CB 3.63Å; R436-D461 PolarHBondContact N-OD1 3.02Å; R436-D461 PolarHBondContact NE-O 2.91Å
437Y87.4Confident82.6Confident148 Ų14857.5 Ų57.558%0.5829%0.289SS*.SBendtrans56.841.7176.3-50.2-76.8000113.6W410 N411W410-Y437 VanDerWaalsContact CA-O 3.28Å; W410-Y437 WeakPolarHBondContact CA-O 3.41Å; W410-Y437 AromaticContact CD1-CD2 3.58Å; W410-Y437 AromaticContact CD1-CG 3.99Å; W410-Y437 HydrophobicContact CD2-CD2 4.21Å; W410-Y437 AromaticContact CD2-CG 3.87Å; W410-Y437 HydrophobicContact CD2-CG 3.87Å; W410-Y437 AromaticContact CE2-CD1 3.88Å; W410-Y437 AromaticContact CE2-CD2 3.49Å; W410-Y437 VanDerWaalsContact CE2-CD2 3.49Å; W410-Y437 AromaticContact CE2-CG 3.4Å; W410-Y437 HydrophobicContact CG-CD2 4.26Å; W410-Y437 HydrophobicContact CG-CG 4.22Å; W410-Y437 HydrophobicContact CH2-CD1 4.09Å; W410-Y437 HydrophobicContact CH2-CE1 4.48Å; W410-Y437 HydrophobicContact CH2-CG 4.38Å; W410-Y437 AromaticContact CZ2-CD1 3.65Å; W410-Y437 HydrophobicContact CZ2-CD1 3.65Å; W410-Y437 AromaticContact CZ2-CD2 3.99Å; W410-Y437 HydrophobicContact CZ2-CD2 3.99Å; W410-Y437 AromaticContact CZ2-CE1 3.88Å; W410-Y437 HydrophobicContact CZ2-CE1 3.88Å; W410-Y437 HydrophobicContact CZ2-CE2 4.19Å; W410-Y437 AromaticContact CZ2-CG 3.7Å; W410-Y437 HydrophobicContact CZ2-CG 3.7Å; W410-Y437 PolarHBondContact N-O 2.79Å; W410-Y437 AromaticContact NE1-CD2 3.05Å; W410-Y437 AromaticContact NE1-CE2 3.54Å; W410-Y437 AromaticContact NE1-CG 3.49Å; N411-Y437 PolarHBondContact N-O 3.07Å
438N86.3Confident82.1Confident18 Ų1858.7 Ų58.710%0.09630%0.295CS..  trans-115.6146.4168.5-82.9-83.9000109.9V408 N411 L413 T435 R436 W440V408-N438 PolarHBondContact O-ND2 3.01Å; N411-N438 VanDerWaalsContact CA-OD1 3.26Å; N411-N438 WeakPolarHBondContact CA-OD1 3.38Å; N411-N438 WeakPolarHBondContact CB-OD1 3.44Å; N411-N438 PolarHBondContact N-OD1 3.36Å; N411-N438 PolarHBondContact O-OD1 3.09Å; L413-N438 HydrophobicContact CB-CB 4.25Å; L413-N438 WeakPolarHBondContact CB-OD1 3.39Å; L413-N438 WeakPolarHBondContact CG-OD1 3.33Å; L413-N438 PolarHBondContact N-OD1 2.67Å; L413-N438 VanDerWaalsContact N-OD1 3.11Å; T435-N438 PolarHBondContact O-ND2 2.88Å; R436-N438 VanDerWaalsContact C-N 3.3Å; R436-N438 PolarHBondContact O-N 3.11Å; R436-N438 PolarHBondContact O-ND2 2.93Å; N438-W440 HydrophobicContact CB-CD2 4.08Å; N438-W440 HydrophobicContact CB-CG 4.28Å; N438-W440 HydrophobicContact CB-CZ2 3.92Å; N438-W440 PolarHBondContact O-N 2.92Å
439P83.7Confident81.8Confident72 Ų7255.7 Ų55.747%0.46828%0.275SS..  trans-77.458.718033.8-37.3000112.3N411 L413 T414N411-P439 WeakPolarHBondContact O-CD 3.39Å; L413-P439 CarbonylContact O-C 3.19Å; L413-P439 VanDerWaalsContact O-C 3.28Å; L413-P439 VanDerWaalsContact O-CD 3.3Å; L413-P439 WeakPolarHBondContact O-CD 3.34Å; T414-P439 WeakPolarHBondContact CA-O 3.45Å; T414-P439 HydrophobicContact CG2-CG 4.03Å
440W80.9Confident81.7Confident30 Ų3054.2 Ų54.211%0.11426%0.263CS..  trans-64.8138.4-179.5-60.4118.2000112.6L413 V416 T435 N438 K442 V446L413-W440 HydrophobicContact CB-CE3 4.15Å; L413-W440 HydrophobicContact CB-CH2 3.35Å; L413-W440 HydrophobicContact CB-CZ2 3.92Å; L413-W440 HydrophobicContact CB-CZ3 3.47Å; L413-W440 VanDerWaalsContact CB-CZ3 3.47Å; L413-W440 HydrophobicContact CD1-CH2 3.57Å; L413-W440 HydrophobicContact CD1-CZ2 3.97Å; L413-W440 HydrophobicContact CD1-CZ3 4.48Å; L413-W440 HydrophobicContact CG-CH2 4.08Å; V416-W440 HydrophobicContact CB-CE3 4.17Å; V416-W440 HydrophobicContact CB-CZ3 4.36Å; V416-W440 HydrophobicContact CG2-CB 4.07Å; V416-W440 HydrophobicContact CG2-CD2 3.75Å; V416-W440 HydrophobicContact CG2-CE3 3.35Å; V416-W440 HydrophobicContact CG2-CG 4.09Å; V416-W440 HydrophobicContact CG2-CZ3 4Å; T435-W440 HydrophobicContact CG2-CZ2 4.22Å; T435-W440 PolarHBondContact O-NE1 2.89Å; T435-W440 VanDerWaalsContact O-NE1 3.11Å; N438-W440 HydrophobicContact CB-CD2 4.08Å; N438-W440 HydrophobicContact CB-CG 4.28Å; N438-W440 HydrophobicContact CB-CZ2 3.92Å; N438-W440 PolarHBondContact O-N 2.92Å; W440-K442 PolarHBondContact O-N 3.17Å; W440-V446 HydrophobicContact CB-CG2 3.36Å; W440-V446 HydrophobicContact CD2-CG1 4.3Å; W440-V446 HydrophobicContact CD2-CG2 4.37Å; W440-V446 HydrophobicContact CG-CB 4.49Å; W440-V446 HydrophobicContact CG-CG1 4.1Å; W440-V446 HydrophobicContact CG-CG2 3.55Å
441I67.3Low81.3Confident64 Ų6454.8 Ų54.833%0.32827%0.266SS..SBendtrans-69.4114.7168.1-61.5162000108.3T414T414-I441 WeakPolarHBondContact O-CG1 3.47Å; T414-I441 PolarHBondContact O-N 3.45Å
442K67.6Low80.7Confident64 Ų6452.6 Ų52.628%0.27826%0.259SS..SBendtrans63.677.5-173.4-60.2-175.9178.9-176.10113.8W440 E444 A445 N562 N563 N583W440-K442 PolarHBondContact O-N 3.17Å; K442-E444 VanDerWaalsContact C-N 3.28Å; K442-E444 PolarHBondContact O-N 3.01Å; K442-A445 HydrophobicContact CB-CB 4.31Å; K442-A445 PolarHBondContact O-N 3.49Å; K442-A445 VanDerWaalsContact O-N 3.08Å; K442-N562 PolarHBondContact NZ-O 3.02Å; K442-N563 PolarHBondContact NZ-OD1 2.84Å; K442-N583 WeakPolarHBondContact CE-O 3.3Å; K442-N583 PolarHBondContact NZ-O 2.89Å
443P69.2Low80Confident96 Ų9650.7 Ų50.762%0.62325%0.249SC*.Hα-helixtrans-57.3-36.3-17521.7-32.6000113.8A445 V446P443-A445 PolarHBondContact O-N 3Å; P443-V446 WeakPolarHBondContact O-CB 3.39Å; P443-V446 VanDerWaalsContact O-CG2 3.3Å; P443-V446 WeakPolarHBondContact O-CG2 3.29Å; P443-V446 PolarHBondContact O-N 2.89Å; P443-V446 VanDerWaalsContact O-N 3.16Å
444E71.4Confident79.4Confident190 Ų19050.8 Ų50.889%0.88825%0.249SC*.Hα-helixtrans-61.1-31.2179.2-60.7178.1178.200113.1K442K442-E444 VanDerWaalsContact C-N 3.28Å; K442-E444 PolarHBondContact O-N 3.01Å
445A71.5Confident78.8Confident28 Ų2854.5 Ų54.523%0.23128%0.283CS..Hα-helixtrans-89.8-9.1-178.800000113.3K442 P443 T449K442-A445 HydrophobicContact CB-CB 4.31Å; K442-A445 PolarHBondContact O-N 3.49Å; K442-A445 VanDerWaalsContact O-N 3.08Å; P443-A445 PolarHBondContact O-N 3Å; A445-T449 VanDerWaalsContact O-CB 3.25Å; A445-T449 WeakPolarHBondContact O-CB 3.24Å; A445-T449 PolarHBondContact O-N 3.24Å; A445-T449 PolarHBondContact O-OG1 3.25Å
446V79.4Confident78.4Confident6 Ų657.6 Ų57.64%0.03630%0.302CS..Hα-helixtrans-61.9-53.1-174.5178.10000110.4V416 W440 P443 M448 T449 I450V416-V446 HydrophobicContact CG1-CG1 4.2Å; V416-V446 HydrophobicContact CG2-CB 4.29Å; V416-V446 HydrophobicContact CG2-CG1 4.06Å; V416-V446 HydrophobicContact CG2-CG2 3.71Å; W440-V446 HydrophobicContact CB-CG2 3.36Å; W440-V446 HydrophobicContact CD2-CG1 4.3Å; W440-V446 HydrophobicContact CD2-CG2 4.37Å; W440-V446 HydrophobicContact CG-CB 4.49Å; W440-V446 HydrophobicContact CG-CG1 4.1Å; W440-V446 HydrophobicContact CG-CG2 3.55Å; P443-V446 WeakPolarHBondContact O-CB 3.39Å; P443-V446 VanDerWaalsContact O-CG2 3.3Å; P443-V446 WeakPolarHBondContact O-CG2 3.29Å; P443-V446 PolarHBondContact O-N 2.89Å; P443-V446 VanDerWaalsContact O-N 3.16Å; V446-M448 PolarHBondContact O-N 3.37Å; V446-T449 PolarHBondContact O-N 3.22Å; V446-T449 VanDerWaalsContact O-N 3.11Å; V446-I450 HydrophobicContact CG1-CD1 3.58Å; V446-I450 HydrophobicContact CG1-CG1 4.26Å; V446-I450 WeakPolarHBondContact O-CG1 3.21Å; V446-I450 PolarHBondContact O-N 3.47Å
447K81.7Confident78.2Confident70 Ų7053.1 Ų53.130%0.30429%0.286SS..Hα-helixtrans-52.3-55.5-177.4-171-175.8177-173.40110.8T449 I450 L451 L460 E469K447-T449 PolarHBondContact O-N 3.45Å; K447-I450 PolarHBondContact O-N 3.24Å; K447-L451 HydrophobicContact CG-CD1 4.33Å; K447-L451 WeakPolarHBondContact O-CG 3.4Å; K447-L451 PolarHBondContact O-N 3.03Å; K447-L451 VanDerWaalsContact O-N 3.07Å; K447-L460 HydrophobicContact CG-CD2 3.73Å; K447-E469 WeakPolarHBondContact CE-OE2 3.44Å; K447-E469 IonicContact NZ-OE1 3.47Å; K447-E469 PolarHBondContact NZ-OE1 3.09Å; K447-E469 IonicContact NZ-OE2 3.4Å; K447-E469 PolarHBondContact NZ-OE2 3.02Å
448M76.6Confident78.2Confident26 Ų2648.8 Ų48.813%0.12828%0.275CS..Hα-helixtrans-66.3-36.5-179.9-62-52.5-80.900112.8V446 I450 L451 V452 E472 M476V446-M448 PolarHBondContact O-N 3.37Å; M448-I450 VanDerWaalsContact C-N 3.31Å; M448-I450 PolarHBondContact O-N 2.96Å; M448-L451 PolarHBondContact O-N 3.2Å; M448-L451 HydrophobicContact SD-CD1 4.09Å; M448-V452 WeakPolarHBondContact O-CB 3.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.4Å; M448-V452 PolarHBondContact O-N 3.36Å; M448-E472 HydrophobicContact CE-CB 3.86Å; M448-E472 VanDerWaalsContact CE-CD 3.49Å; M448-E472 HydrophobicContact CE-CG 3.65Å; M448-M476 HydrophobicContact CB-CE 3.79Å; M448-M476 HydrophobicContact CB-SD 4.01Å; M448-M476 HydrophobicContact CE-CE 3.35Å; M448-M476 HydrophobicContact CG-CE 3.94Å; M448-M476 HydrophobicContact SD-CE 4.47Å
449T76Confident78.3Confident14 Ų1450.6 Ų50.69%0.08628%0.283CS..Hα-helixtrans-64.9-36177.6-59.30000112.3V416 R417 A445 V446 K447V416-T449 HydrophobicContact CG1-CG2 3.86Å; R417-T449 HydrophobicContact CG-CG2 4.41Å; A445-T449 VanDerWaalsContact O-CB 3.25Å; A445-T449 WeakPolarHBondContact O-CB 3.24Å; A445-T449 PolarHBondContact O-N 3.24Å; A445-T449 PolarHBondContact O-OG1 3.25Å; V446-T449 PolarHBondContact O-N 3.22Å; V446-T449 VanDerWaalsContact O-N 3.11Å; K447-T449 PolarHBondContact O-N 3.45Å
450I82.4Confident78.6Confident2 Ų247.3 Ų47.31%0.0126%0.261CS..Hα-helixtrans-66.8-50.9174.7-67.6170.1000109.5V416 T420 L433 T435 V446 K447 M448 V452 R453 I454 L457 L460V416-I450 HydrophobicContact CG1-CG1 4.06Å; T420-I450 HydrophobicContact CG2-CB 4.37Å; T420-I450 HydrophobicContact CG2-CG1 3.67Å; L433-I450 HydrophobicContact CD2-CG2 3.95Å; T435-I450 HydrophobicContact CG2-CD1 3.89Å; V446-I450 HydrophobicContact CG1-CD1 3.58Å; V446-I450 HydrophobicContact CG1-CG1 4.26Å; V446-I450 WeakPolarHBondContact O-CG1 3.21Å; V446-I450 PolarHBondContact O-N 3.47Å; K447-I450 PolarHBondContact O-N 3.24Å; M448-I450 VanDerWaalsContact C-N 3.31Å; M448-I450 PolarHBondContact O-N 2.96Å; I450-V452 PolarHBondContact O-N 2.74Å; I450-R453 PolarHBondContact O-N 2.87Å; I450-I454 HydrophobicContact CG2-CD1 4.34Å; I450-I454 PolarHBondContact O-N 2.91Å; I450-L457 HydrophobicContact CG2-CD1 3.53Å; I450-L460 HydrophobicContact CB-CD2 4.37Å; I450-L460 HydrophobicContact CD1-CD1 4.2Å; I450-L460 HydrophobicContact CG2-CD1 4.03Å; I450-L460 HydrophobicContact CG2-CD2 4.19Å
451L82.2Confident78.8Confident12 Ų1247.8 Ų47.86%0.06327%0.266CS..Hα-helixtrans-59.8-42-179.5-66.8176000112.8K447 M448 R453 L460 V465 E469 A473K447-L451 HydrophobicContact CG-CD1 4.33Å; K447-L451 WeakPolarHBondContact O-CG 3.4Å; K447-L451 PolarHBondContact O-N 3.03Å; K447-L451 VanDerWaalsContact O-N 3.07Å; M448-L451 PolarHBondContact O-N 3.2Å; M448-L451 HydrophobicContact SD-CD1 4.09Å; L451-R453 PolarHBondContact O-N 3.37Å; L451-L460 HydrophobicContact CD2-CD2 4.09Å; L451-L460 HydrophobicContact CG-CD2 4.12Å; L451-V465 HydrophobicContact CD1-CG1 4.45Å; L451-V465 HydrophobicContact CD2-CB 4.41Å; L451-V465 HydrophobicContact CD2-CG1 3.75Å; L451-V465 HydrophobicContact CD2-CG2 3.69Å; L451-E469 HydrophobicContact CD1-CB 4.29Å; L451-A473 HydrophobicContact CB-CB 3.86Å
452V77.8Confident79.3Confident41 Ų4148 Ų4825%0.24828%0.284CS..Hα-helixtrans-59.4-29.6176.6166.70000112.3M448 I450 A473 M476 A477M448-V452 WeakPolarHBondContact O-CB 3.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.4Å; M448-V452 PolarHBondContact O-N 3.36Å; I450-V452 PolarHBondContact O-N 2.74Å; V452-A473 HydrophobicContact CG2-CB 4Å; V452-A473 WeakPolarHBondContact CG2-O 3.3Å; V452-M476 HydrophobicContact CG2-CB 4.21Å; V452-M476 HydrophobicContact CG2-CG 4.42Å; V452-M476 HydrophobicContact CG2-SD 4.19Å; V452-A477 HydrophobicContact CG1-CB 3.96Å
453R76.1Confident80.1Confident45 Ų4547.4 Ų47.417%0.1729%0.291CS..Hα-helixtrans-103.6-29.7-171.8-74.8179.3159.9-153.3-3.2114.1R417 T420 R424 I450 L451R417-R453 VanDerWaalsContact C-NH1 3.32Å; R417-R453 PolarHBondContact O-NH1 3.06Å; T420-R453 VanDerWaalsContact OG1-CD 3.25Å; T420-R453 WeakPolarHBondContact OG1-CD 3.38Å; T420-R453 PolarHBondContact OG1-NH1 3.24Å; R424-R453 WeakPolarHBondContact CD-O 3.27Å; R424-R453 WeakPolarHBondContact CG-O 3.46Å; I450-R453 PolarHBondContact O-N 2.87Å; L451-R453 PolarHBondContact O-N 3.37Å
454I81.7Confident80.8Confident6 Ų649.2 Ų49.23%0.03129%0.293CS..  trans-118.980.9-177.9-47.7179.2000107.8L423 L433 I450 T456 L457L423-I454 HydrophobicContact CB-CD1 3.77Å; L423-I454 HydrophobicContact CD1-CD1 4.02Å; L433-I454 HydrophobicContact CD2-CD1 4.45Å; I450-I454 HydrophobicContact CG2-CD1 4.34Å; I450-I454 PolarHBondContact O-N 2.91Å; I454-T456 PolarHBondContact O-N 3.13Å; I454-L457 HydrophobicContact CB-CD1 3.85Å; I454-L457 HydrophobicContact CB-CG 4.14Å; I454-L457 HydrophobicContact CD1-CD1 4.43Å; I454-L457 HydrophobicContact CG2-CD1 3.95Å; I454-L457 HydrophobicContact CG2-CD2 4.48Å; I454-L457 HydrophobicContact CG2-CG 3.71Å; I454-L457 PolarHBondContact O-N 3.17Å
455A76.9Confident81.5Confident98 Ų9841.3 Ų41.381%0.8126%0.257SS*.THydrogen-bonded Turntrans-70.8-5.7-17700000114
456T81.9Confident82.1Confident71 Ų7143.1 Ų43.144%0.43627%0.266SS..THydrogen-bonded Turntrans-88.6-7-179.257.10000113.8L430 I454L430-T456 CarbonylContact O-C 3.57Å; L430-T456 WeakPolarHBondContact O-CB 3.13Å; L430-T456 PolarHBondContact O-OG1 3.11Å; I454-T456 PolarHBondContact O-N 3.13Å
457L85Confident82.1Confident14 Ų1451.1 Ų51.17%0.07330%0.303CS..  trans-71.4130.8-176.5-75.2169.7000111.9L430 Q431 L433 I450 I454L430-L457 HydrophobicContact CD2-CD2 4.25Å; L430-L457 HydrophobicContact CG-CD2 4.14Å; Q431-L457 WeakPolarHBondContact O-CD2 3.39Å; L433-L457 HydrophobicContact CB-CD1 4.44Å; L433-L457 HydrophobicContact CB-CD2 3.68Å; L433-L457 HydrophobicContact CD2-CD1 4.26Å; I450-L457 HydrophobicContact CG2-CD1 3.53Å; I454-L457 HydrophobicContact CB-CD1 3.85Å; I454-L457 HydrophobicContact CB-CG 4.14Å; I454-L457 HydrophobicContact CD1-CD1 4.43Å; I454-L457 HydrophobicContact CG2-CD1 3.95Å; I454-L457 HydrophobicContact CG2-CD2 4.48Å; I454-L457 HydrophobicContact CG2-CG 3.71Å; I454-L457 PolarHBondContact O-N 3.17Å
458T86.1Confident81.9Confident57 Ų5755.5 Ų55.535%0.3532%0.324SS..SBendtrans-102.7-30.2171.861.70000111.7Q431 V465Q431-T458 PolarHBondContact O-N 3.02Å; Q431-T458 PolarHBondContact O-OG1 3.36Å; T458-V465 PolarHBondContact O-N 3.23Å
459H89.1Confident82.1Confident56 Ų5656.5 Ų56.526%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-132.7133.6176.7-5666.3000111.2Q431 K432 L433 A463Q431-H459 PolarHBondContact O-N 3.15Å; K432-H459 WeakPolarHBondContact CA-O 3.49Å; K432-H459 HydrophobicContact CB-CB 4.41Å; K432-H459 HydrophobicContact CG-CB 3.99Å; L433-H459 PolarHBondContact N-O 3.17Å; H459-A463 CarbonylContact C-O 3.45Å; H459-A463 VanDerWaalsContact CA-O 3.23Å; H459-A463 WeakPolarHBondContact CA-O 3.24Å
460L89.4Confident82Confident4 Ų457.2 Ų57.22%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-130.5127.4176.2-179.361.1000109.4L433 K447 I450 L451 G462 A463 V465L433-L460 HydrophobicContact CB-CD1 4.24Å; L433-L460 HydrophobicContact CD2-CD1 4.22Å; L433-L460 HydrophobicContact CG-CD1 4.25Å; L433-L460 CarbonylContact O-C 3.59Å; L433-L460 WeakPolarHBondContact O-CA 3.2Å; K447-L460 HydrophobicContact CG-CD2 3.73Å; I450-L460 HydrophobicContact CB-CD2 4.37Å; I450-L460 HydrophobicContact CD1-CD1 4.2Å; I450-L460 HydrophobicContact CG2-CD1 4.03Å; I450-L460 HydrophobicContact CG2-CD2 4.19Å; L451-L460 HydrophobicContact CD2-CD2 4.09Å; L451-L460 HydrophobicContact CG-CD2 4.12Å; L460-G462 PolarHBondContact O-N 3.28Å; L460-G462 VanDerWaalsContact O-N 3.12Å; L460-A463 PolarHBondContact N-O 3.08Å; L460-A463 PolarHBondContact O-N 3.46Å; L460-V465 HydrophobicContact CB-CG2 4.26Å
461D85.8Confident81.7Confident40 Ų4061.7 Ų61.721%0.21436%0.357CS..THydrogen-bonded Turntrans55.929.4176.7-62.1-26.3000114.1L433 T435 R436L433-D461 PolarHBondContact O-N 3.11Å; T435-D461 WeakPolarHBondContact CA-OD1 3.32Å; T435-D461 PolarHBondContact N-OD1 3.16Å; T435-D461 PolarHBondContact OG1-OD1 3.34Å; T435-D461 PolarHBondContact OG1-OD2 3.15Å; R436-D461 HydrophobicContact CG-CB 3.63Å; R436-D461 PolarHBondContact N-OD1 3.02Å; R436-D461 PolarHBondContact NE-O 2.91Å
462G76.8Confident81.3Confident69 Ų6965.9 Ų65.971%0.71138%0.376SS*.THydrogen-bonded Turntrans84.41.3-177.600000115.1L460L460-G462 PolarHBondContact O-N 3.28Å; L460-G462 VanDerWaalsContact O-N 3.12Å
463A84.6Confident80.9Confident50 Ų5064.1 Ų64.141%0.41337%0.366SS..EExtended strand (participates in β ladder)trans-105.5146.6173.700000111.4H459 L460H459-A463 CarbonylContact C-O 3.45Å; H459-A463 VanDerWaalsContact CA-O 3.23Å; H459-A463 WeakPolarHBondContact CA-O 3.24Å; L460-A463 PolarHBondContact N-O 3.08Å; L460-A463 PolarHBondContact O-N 3.46Å
464M84.8Confident80.6Confident134 Ų13468.9 Ų68.966%0.6638%0.384SS*.EExtended strand (participates in β ladder)trans-76.6134.9172.8-175.8176.3-93.200109.6T466M464-T466 PolarHBondContact O-N 2.99Å
465V85.5Confident79.8Confident25 Ų2574.1 Ų74.115%0.15241%0.408CS..PPolyproline II helixtrans-74.8120.7176.7-177.40000108.4L451 T458 L460 E469L451-V465 HydrophobicContact CD1-CG1 4.45Å; L451-V465 HydrophobicContact CD2-CB 4.41Å; L451-V465 HydrophobicContact CD2-CG1 3.75Å; L451-V465 HydrophobicContact CD2-CG2 3.69Å; T458-V465 PolarHBondContact O-N 3.23Å; L460-V465 HydrophobicContact CB-CG2 4.26Å; V465-E469 HydrophobicContact CG1-CB 4.34Å
466T84Confident79.1Confident66 Ų6670.7 Ų70.741%0.40538%0.375SS..PPolyproline II helixtrans-79.2157.7178.362.60000111.3M464 E468 E469 A470M464-T466 PolarHBondContact O-N 2.99Å; T466-E468 PolarHBondContact O-N 3.49Å; T466-E469 PolarHBondContact O-N 2.78Å; T466-E469 VanDerWaalsContact OG1-CG 3.3Å; T466-E469 WeakPolarHBondContact OG1-CG 3.38Å; T466-E469 PolarHBondContact OG1-N 3.06Å; T466-A470 PolarHBondContact O-N 3.23Å; T466-A470 VanDerWaalsContact O-N 3.11Å
467E78.8Confident78.1Confident173 Ų17369.5 Ų69.581%0.80837%0.373SS*.Hα-helixtrans-59.8-35.2175-77.6-173153.900112.1A470 E471E467-A470 PolarHBondContact O-N 2.66Å; E467-E471 WeakPolarHBondContact O-CB 3.17Å; E467-E471 PolarHBondContact O-N 3.01Å
468E79.2Confident76.7Confident163 Ų16372 Ų7276%0.76240%0.395SS*.Hα-helixtrans-62.3-46175.7-65.2179.7174.400112T466 A470 E471 E472T466-E468 PolarHBondContact O-N 3.49Å; E468-A470 VanDerWaalsContact C-N 3.31Å; E468-A470 PolarHBondContact O-N 3.25Å; E468-E471 PolarHBondContact O-N 3.17Å; E468-E472 WeakPolarHBondContact O-CB 3.15Å; E468-E472 PolarHBondContact O-N 3.23Å
469E79.4Confident75.1Confident47 Ų4774.9 Ų74.922%0.2241%0.409CS..Hα-helixtrans-65-35.6177.7-73.6-179.1171.100111.9K447 L451 V465 T466 A473K447-E469 WeakPolarHBondContact CE-OE2 3.44Å; K447-E469 IonicContact NZ-OE1 3.47Å; K447-E469 PolarHBondContact NZ-OE1 3.09Å; K447-E469 IonicContact NZ-OE2 3.4Å; K447-E469 PolarHBondContact NZ-OE2 3.02Å; L451-E469 HydrophobicContact CD1-CB 4.29Å; V465-E469 HydrophobicContact CG1-CB 4.34Å; T466-E469 PolarHBondContact O-N 2.78Å; T466-E469 VanDerWaalsContact OG1-CG 3.3Å; T466-E469 WeakPolarHBondContact OG1-CG 3.38Å; T466-E469 PolarHBondContact OG1-N 3.06Å; E469-A473 WeakPolarHBondContact O-CB 3.26Å; E469-A473 PolarHBondContact O-N 3.48Å
470A74.6Confident73.6Confident28 Ų2873.7 Ų73.723%0.23141%0.405CS..Hα-helixtrans-70-38.8175.400000112.3T466 E467 E468 A473 R474T466-A470 PolarHBondContact O-N 3.23Å; T466-A470 VanDerWaalsContact O-N 3.11Å; E467-A470 PolarHBondContact O-N 2.66Å; E468-A470 VanDerWaalsContact C-N 3.31Å; E468-A470 PolarHBondContact O-N 3.25Å; A470-A473 PolarHBondContact O-N 3.15Å; A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 2.94Å
471E75.8Confident72.4Confident97 Ų9780.9 Ų80.945%0.45344%0.437SS..Hα-helixtrans-65.5-44.4174.3-157.775.3-158.600111E467 E468 A473 R474 H475E467-E471 WeakPolarHBondContact O-CB 3.17Å; E467-E471 PolarHBondContact O-N 3.01Å; E468-E471 PolarHBondContact O-N 3.17Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 3.42Å; E471-R474 WeakPolarHBondContact O-CB 3.29Å; E471-R474 PolarHBondContact O-N 3.02Å; E471-R474 VanDerWaalsContact O-N 3.13Å; E471-R474 IonicContact OE2-CZ 3.46Å; E471-R474 IonicContact OE2-NE 2.75Å; E471-R474 PolarHBondContact OE2-NE 3.35Å; E471-R474 IonicContact OE2-NH2 3.23Å; E471-R474 PolarHBondContact OE2-NH2 2.89Å; E471-H475 PolarHBondContact O-N 2.97Å
472E73.7Confident71.5Confident99 Ų9979.5 Ų79.546%0.46343%0.429SS..Hα-helixtrans-62.7-40.2176.2-169.3-174.1167.400111.2M448 E468 R474 H475 M476M448-E472 HydrophobicContact CE-CB 3.86Å; M448-E472 VanDerWaalsContact CE-CD 3.49Å; M448-E472 HydrophobicContact CE-CG 3.65Å; E468-E472 WeakPolarHBondContact O-CB 3.15Å; E468-E472 PolarHBondContact O-N 3.23Å; E472-R474 PolarHBondContact O-N 3.43Å; E472-H475 PolarHBondContact O-N 3.06Å; E472-M476 HydrophobicContact CG-CE 4.38Å; E472-M476 VanDerWaalsContact O-CB 3.23Å; E472-M476 WeakPolarHBondContact O-CB 3.18Å; E472-M476 PolarHBondContact O-N 3.47Å
473A70.3Confident71Confident5 Ų578.9 Ų78.94%0.04141%0.414CS..Hα-helixtrans-63.2-39.1172.900000112.4L451 V452 E469 A470 E471 M476 A477L451-A473 HydrophobicContact CB-CB 3.86Å; V452-A473 HydrophobicContact CG2-CB 4Å; V452-A473 WeakPolarHBondContact CG2-O 3.3Å; E469-A473 WeakPolarHBondContact O-CB 3.26Å; E469-A473 PolarHBondContact O-N 3.48Å; A470-A473 PolarHBondContact O-N 3.15Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 3.42Å; A473-M476 PolarHBondContact O-N 3.48Å; A473-A477 PolarHBondContact O-N 3.34Å
474R68.7Low70.2Confident145 Ų14582.4 Ų82.455%0.54742%0.422SS..Hα-helixtrans-65.1-44.7175.1-76.3-174.5-77.9-103.74.9112.1A470 E471 E472 A477 A478A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 2.94Å; E471-R474 WeakPolarHBondContact O-CB 3.29Å; E471-R474 PolarHBondContact O-N 3.02Å; E471-R474 VanDerWaalsContact O-N 3.13Å; E471-R474 IonicContact OE2-CZ 3.46Å; E471-R474 IonicContact OE2-NE 2.75Å; E471-R474 PolarHBondContact OE2-NE 3.35Å; E471-R474 IonicContact OE2-NH2 3.23Å; E471-R474 PolarHBondContact OE2-NH2 2.89Å; E472-R474 PolarHBondContact O-N 3.43Å; R474-A477 WeakPolarHBondContact O-CB 3.23Å; R474-A477 PolarHBondContact O-N 2.99Å; R474-A478 PolarHBondContact O-N 2.78Å
475H66.2Low69.3Low116 Ų11679.4 Ų79.454%0.53742%0.418SS..Hα-helixtrans-62.7-44.1175.2-95.4-76.2000112E471 E472 A477 A478 D479E471-H475 PolarHBondContact O-N 2.97Å; E472-H475 PolarHBondContact O-N 3.06Å; H475-A477 VanDerWaalsContact C-N 3.28Å; H475-A477 PolarHBondContact O-N 3.33Å; H475-A478 WeakPolarHBondContact O-CA 3.49Å; H475-A478 WeakPolarHBondContact O-CB 3.47Å; H475-A478 PolarHBondContact O-N 3.29Å; H475-D479 PolarHBondContact O-N 3.41Å
476M61.8Low68.5Low25 Ų2579.6 Ų79.612%0.12342%0.422CS..Hα-helixtrans-62.9-34.2177.5-166.3-178.3-41.500112.6M448 V452 E472 A473 A478 D479 V480 R541M448-M476 HydrophobicContact CB-CE 3.79Å; M448-M476 HydrophobicContact CB-SD 4.01Å; M448-M476 HydrophobicContact CE-CE 3.35Å; M448-M476 HydrophobicContact CG-CE 3.94Å; M448-M476 HydrophobicContact SD-CE 4.47Å; V452-M476 HydrophobicContact CG2-CB 4.21Å; V452-M476 HydrophobicContact CG2-CG 4.42Å; V452-M476 HydrophobicContact CG2-SD 4.19Å; E472-M476 HydrophobicContact CG-CE 4.38Å; E472-M476 VanDerWaalsContact O-CB 3.23Å; E472-M476 WeakPolarHBondContact O-CB 3.18Å; E472-M476 PolarHBondContact O-N 3.47Å; A473-M476 PolarHBondContact O-N 3.48Å; M476-A478 PolarHBondContact O-N 2.94Å; M476-D479 PolarHBondContact O-N 3.12Å; M476-V480 WeakPolarHBondContact O-CG2 2.93Å; M476-V480 PolarHBondContact O-N 3.42Å; M476-R541 PolarHBondContact SD-NH1 2.99Å
477A59.9Low68.1Low47 Ų4776.8 Ų76.839%0.38841%0.405SS..Hα-helixtrans-63.2-30173.300000112.8V452 A473 R474 H475V452-A477 HydrophobicContact CG1-CB 3.96Å; A473-A477 PolarHBondContact O-N 3.34Å; R474-A477 WeakPolarHBondContact O-CB 3.23Å; R474-A477 PolarHBondContact O-N 2.99Å; H475-A477 VanDerWaalsContact C-N 3.28Å; H475-A477 PolarHBondContact O-N 3.33Å
478A55.5Low67.7Low66 Ų6669.8 Ų69.855%0.54537%0.373SS..Hα-helixtrans-81-41177.700000112.5R474 H475 M476 V480R474-A478 PolarHBondContact O-N 2.78Å; H475-A478 WeakPolarHBondContact O-CA 3.49Å; H475-A478 WeakPolarHBondContact O-CB 3.47Å; H475-A478 PolarHBondContact O-N 3.29Å; M476-A478 PolarHBondContact O-N 2.94Å; A478-V480 VanDerWaalsContact C-N 3.26Å; A478-V480 PolarHBondContact O-N 3.22Å
479D53.8Low67.2Low117 Ų11764.8 Ų64.863%0.62636%0.359SS*.Hα-helixtrans-72.6-14.6-179.6-73.2-25.3000114.2H475 M476 K481H475-D479 PolarHBondContact O-N 3.41Å; M476-D479 PolarHBondContact O-N 3.12Å; D479-K481 PolarHBondContact O-N 2.78Å; D479-K481 VanDerWaalsContact O-N 3.13Å
480V58.2Low66.9Low32 Ų3265.5 Ų65.519%0.19436%0.362CS..THydrogen-bonded Turntrans-61.9-17.7176.5152.30000114M476 A478 L542 F543M476-V480 WeakPolarHBondContact O-CG2 2.93Å; M476-V480 PolarHBondContact O-N 3.42Å; A478-V480 VanDerWaalsContact C-N 3.26Å; A478-V480 PolarHBondContact O-N 3.22Å; V480-L542 WeakPolarHBondContact O-CD2 3.3Å; V480-F543 HydrophobicContact CB-CD2 4.33Å; V480-F543 HydrophobicContact CG1-CD2 3.51Å; V480-F543 HydrophobicContact CG1-CE2 4.14Å; V480-F543 HydrophobicContact CG2-CD2 3.8Å; V480-F543 HydrophobicContact CG2-CE2 3.64Å
481K62.6Low67.1Low155 Ų15564.1 Ų64.167%0.67435%0.351SS*.SBendtrans-96.4133.2176.8-68.6-179.8-176.6173.10109.9D479 S483D479-K481 PolarHBondContact O-N 2.78Å; D479-K481 VanDerWaalsContact O-N 3.13Å; K481-S483 VanDerWaalsContact C-N 3.31Å; K481-S483 PolarHBondContact O-N 2.87Å
482I67Low67.1Low11 Ų1160.8 Ų60.86%0.05634%0.335CS..  trans-6194.7170.1-58.3175000108.3L487 F537 L542 L548I482-L487 HydrophobicContact CG2-CB 4.44Å; I482-L487 HydrophobicContact CG2-CD1 3.58Å; I482-F537 HydrophobicContact CG2-CE1 4.19Å; I482-F537 HydrophobicContact CG2-CE2 4.22Å; I482-F537 HydrophobicContact CG2-CZ 3.69Å; I482-L542 HydrophobicContact CD1-CD1 4.25Å; I482-L542 HydrophobicContact CG1-CD1 4.14Å; I482-L542 HydrophobicContact CG1-CD2 3.87Å; I482-L548 HydrophobicContact CD1-CD2 4.32Å
483S66.3Low67.1Low56 Ų5659 Ų5939%0.39233%0.33SS..  trans-80.2158.2177.771.20000110.1K481 A485 A486 L487K481-S483 VanDerWaalsContact C-N 3.31Å; K481-S483 PolarHBondContact O-N 2.87Å; S483-A485 PolarHBondContact O-N 3.22Å; S483-A486 PolarHBondContact O-N 3.04Å; S483-A486 WeakPolarHBondContact OG-CB 3.44Å; S483-A486 PolarHBondContact OG-N 2.82Å; S483-L487 PolarHBondContact O-N 3.25Å
484Q68.2Low67.1Low123 Ų12362.3 Ų62.358%0.57535%0.347SS*.Hα-helixtrans-59.4-37.2177.2-178.1169.6-0.200111.8L487 L488 W528Q484-L487 PolarHBondContact O-N 3.5Å; Q484-L488 HydrophobicContact CG-CD1 4.25Å; Q484-L488 WeakPolarHBondContact O-CG 3.44Å; Q484-L488 PolarHBondContact O-N 2.9Å; Q484-W528 HydrophobicContact CG-CH2 4.25Å; Q484-W528 HydrophobicContact CG-CZ2 3.86Å
485A65.4Low67Low72 Ų7259.9 Ų59.960%0.59535%0.353SS*.Hα-helixtrans-65-43.7175.700000112.2S483 L487 L488 A489S483-A485 PolarHBondContact O-N 3.22Å; A485-L487 PolarHBondContact O-N 2.69Å; A485-L488 PolarHBondContact O-N 3.49Å; A485-A489 PolarHBondContact O-N 3.34Å
486A70.1Confident67Low28 Ų2862 Ų6223%0.23136%0.363CS..Hα-helixtrans-65.5-38.5176.700000111.9S483 A489 Q490 F537S483-A486 PolarHBondContact O-N 3.04Å; S483-A486 WeakPolarHBondContact OG-CB 3.44Å; S483-A486 PolarHBondContact OG-N 2.82Å; A486-A489 PolarHBondContact O-N 3.12Å; A486-Q490 VanDerWaalsContact O-CB 3.3Å; A486-Q490 WeakPolarHBondContact O-CB 2.91Å; A486-Q490 WeakPolarHBondContact O-CG 3.36Å; A486-Q490 PolarHBondContact O-N 2.88Å; A486-F537 HydrophobicContact CB-CE1 3.98Å; A486-F537 HydrophobicContact CB-CZ 4.44Å
487L74.4Confident67.4Low7 Ų768 Ų684%0.03738%0.384CS..Hα-helixtrans-64.7-39.9175.8-155.6105.7000112I482 S483 Q484 A485 S491 W528 M529 I532 L535 F537 L548 L551I482-L487 HydrophobicContact CG2-CB 4.44Å; I482-L487 HydrophobicContact CG2-CD1 3.58Å; S483-L487 PolarHBondContact O-N 3.25Å; Q484-L487 PolarHBondContact O-N 3.5Å; A485-L487 PolarHBondContact O-N 2.69Å; L487-S491 WeakPolarHBondContact O-CB 3.1Å; L487-S491 PolarHBondContact O-N 2.89Å; L487-S491 VanDerWaalsContact O-N 3.07Å; L487-S491 PolarHBondContact O-OG 2.91Å; L487-W528 HydrophobicContact CB-CH2 4.23Å; L487-W528 HydrophobicContact CD2-CH2 3.36Å; L487-W528 HydrophobicContact CD2-CZ2 4.32Å; L487-W528 HydrophobicContact CD2-CZ3 3.64Å; L487-W528 HydrophobicContact CG-CH2 4.37Å; L487-M529 HydrophobicContact CD2-CG 3.89Å; L487-M529 HydrophobicContact CD2-SD 4.01Å; L487-I532 HydrophobicContact CD2-CD1 3.63Å; L487-I532 HydrophobicContact CG-CD1 4.46Å; L487-L535 HydrophobicContact CD1-CD1 4.35Å; L487-L535 HydrophobicContact CG-CD1 4.4Å; L487-F537 HydrophobicContact CB-CZ 4.38Å; L487-F537 HydrophobicContact CD1-CE2 4.05Å; L487-F537 HydrophobicContact CD1-CZ 4.18Å; L487-L548 HydrophobicContact CD1-CD2 4.43Å; L487-L551 HydrophobicContact CD2-CD2 4.37Å
488L71.2Confident67.7Low27 Ų2767.2 Ų67.214%0.14138%0.375CS..Hα-helixtrans-67.2-40.3176.5-75.6163.3000112.7Q484 A485 Q490 W518 L524 W528Q484-L488 HydrophobicContact CG-CD1 4.25Å; Q484-L488 WeakPolarHBondContact O-CG 3.44Å; Q484-L488 PolarHBondContact O-N 2.9Å; A485-L488 PolarHBondContact O-N 3.49Å; L488-Q490 VanDerWaalsContact C-N 3.34Å; L488-W518 HydrophobicContact CB-CB 4.44Å; L488-W518 HydrophobicContact CD2-CB 3.99Å; L488-W518 HydrophobicContact CD2-CD2 3.71Å; L488-W518 HydrophobicContact CD2-CE3 4.06Å; L488-W518 HydrophobicContact CD2-CG 3.65Å; L488-L524 HydrophobicContact CD1-CD1 3.88Å; L488-L524 HydrophobicContact CD1-CD2 3.84Å; L488-L524 HydrophobicContact CD1-CG 4.44Å; L488-L524 HydrophobicContact CD2-CD1 4.18Å; L488-L524 HydrophobicContact CD2-CD2 4.06Å; L488-L524 HydrophobicContact CD2-CG 4.3Å; L488-L524 HydrophobicContact CG-CD2 4.39Å; L488-W528 HydrophobicContact CD2-CD2 4.24Å; L488-W528 HydrophobicContact CD2-CE3 3.54Å; L488-W528 HydrophobicContact CD2-CH2 3.85Å; L488-W528 HydrophobicContact CD2-CZ3 3.3Å; L488-W528 HydrophobicContact CG-CE3 4.36Å; L488-W528 HydrophobicContact CG-CH2 3.74Å; L488-W528 HydrophobicContact CG-CZ3 3.67Å
489A67.5Low67.9Low57 Ų5776.4 Ų76.447%0.47140%0.395SS..Hα-helixtrans-67.5-34.8178.800000112.6A485 A486A485-A489 PolarHBondContact O-N 3.34Å; A486-A489 PolarHBondContact O-N 3.12Å
490Q74.6Confident68.1Low62 Ų6273.6 Ų73.629%0.2939%0.385SS..Hα-helixtrans-108.26.9-169.8-63.3-63.77.600114.8A486 L488 N536 F537A486-Q490 VanDerWaalsContact O-CB 3.3Å; A486-Q490 WeakPolarHBondContact O-CB 2.91Å; A486-Q490 WeakPolarHBondContact O-CG 3.36Å; A486-Q490 PolarHBondContact O-N 2.88Å; L488-Q490 VanDerWaalsContact C-N 3.34Å; Q490-N536 VanDerWaalsContact CB-O 3.31Å; Q490-N536 WeakPolarHBondContact CB-O 3.43Å; Q490-N536 PolarHBondContact O-N 3.43Å; Q490-N536 VanDerWaalsContact O-N 3.13Å; Q490-N536 PolarHBondContact OE1-O 3.14Å; Q490-F537 HydrophobicContact CB-CE1 4.34Å; Q490-F537 HydrophobicContact CB-CE2 4.36Å; Q490-F537 HydrophobicContact CB-CZ 4.2Å; Q490-F537 HydrophobicContact CG-CE1 4.38Å
491S77.4Confident68Low0 Ų081.4 Ų81.40%043%0.425CS..EExtended strand (participates in β ladder)trans-110.4151.4178.465.10000113L487 T534L487-S491 WeakPolarHBondContact O-CB 3.1Å; L487-S491 PolarHBondContact O-N 2.89Å; L487-S491 VanDerWaalsContact O-N 3.07Å; L487-S491 PolarHBondContact O-OG 2.91Å; S491-T534 WeakPolarHBondContact CA-O 3.44Å
492R76.1Confident68Low27 Ų2776.4 Ų76.410%0.10241%0.409CS..EExtended strand (participates in β ladder)trans-137.1164.2172.7-53.4-157.4-170.6-115.4-12.4113N494 I510 S511 G514 P515 I532 T533 T534R492-N494 WeakPolarHBondContact CB-OD1 3.23Å; R492-I510 HydrophobicContact CG-CG2 4.46Å; R492-I510 PolarHBondContact NE-O 2.84Å; R492-S511 PolarHBondContact NH2-O 3.31Å; R492-G514 PolarHBondContact NH1-O 3.19Å; R492-G514 PolarHBondContact NH2-O 2.82Å; R492-P515 PolarHBondContact NH1-O 3.09Å; R492-I532 WeakPolarHBondContact O-CA 3.5Å; R492-T533 PolarHBondContact O-N 2.93Å; R492-T533 PolarHBondContact O-OG1 3.39Å; R492-T534 PolarHBondContact N-O 3.08Å; R492-T534 PolarHBondContact O-N 3.32Å; R492-T534 VanDerWaalsContact O-N 3.12Å
493T73.9Confident67.9Low60 Ų6083 Ų8337%0.36844%0.443SS..  trans-115.319.4-177.963.60000112.7W518 K531 T533T493-W518 HydrophobicContact CG2-CZ2 4.37Å; T493-K531 WeakPolarHBondContact CB-O 3.49Å; T493-K531 HydrophobicContact CG2-CB 4.03Å; T493-K531 WeakPolarHBondContact CG2-O 3.39Å; T493-T533 WeakPolarHBondContact CA-OG1 3.3Å
494N70.6Confident68.1Low75 Ų7584.5 Ų84.540%0.40145%0.447SS..  trans-66.1136-178.8-67.968.1000111.3R492 I510 T533R492-N494 WeakPolarHBondContact CB-OD1 3.23Å; N494-I510 HydrophobicContact CB-CG2 4.37Å; N494-T533 PolarHBondContact N-OG1 2.77Å; N494-T533 VanDerWaalsContact N-OG1 3.13Å; N494-T533 WeakPolarHBondContact O-CB 3.47Å; N494-T533 PolarHBondContact O-OG1 2.83Å
495S65.6Low68.4Low94 Ų9478.9 Ų78.966%0.65742%0.421SS*.  trans-95-19.8-179.450.70000114.2
496E67.3Low68.9Low160 Ų16075.7 Ų75.775%0.74839%0.394SS*.SBendtrans-106.1138.2-172.9-63.3-167.7168.200112.9
497R70.4Confident69.1Low153 Ų15374.4 Ų74.458%0.57738%0.384SS*.  trans-77.3129.3173.7-178.4174.8178.6-175.4-4.1109.9R499 T506 W556R497-R499 PolarHBondContact O-N 2.99Å; R497-T506 HydrophobicContact CG-CG2 4.12Å; R497-W556 HydrophobicContact CB-CH2 4.44Å; R497-W556 HydrophobicContact CB-CZ2 3.93Å
498P65.5Low69.2Low29 Ų2976.2 Ų76.219%0.18839%0.392CS..  trans-60.7133.1175.624.6-33.1000110.8S500 T506 L509 I510 L513P498-S500 VanDerWaalsContact C-N 3.28Å; P498-S500 PolarHBondContact O-N 2.89Å; P498-T506 HydrophobicContact CG-CG2 4.17Å; P498-L509 HydrophobicContact CG-CB 4.04Å; P498-L509 HydrophobicContact CG-CD1 4.27Å; P498-I510 HydrophobicContact CG-CG1 3.98Å; P498-L513 HydrophobicContact CB-CD1 4.39Å
499R61Low69.4Low260 Ų26076.1 Ų76.198%0.98139%0.391SS*.  trans-80.273.9173.8-65.6-177.3-177.5166.71.8109.7R497R497-R499 PolarHBondContact O-N 2.99Å
500S57.8Low69.7Low57 Ų5773.9 Ų73.940%0.39937%0.371SS..  trans-129.6137.7172.165.30000111.4P498 S502 L509P498-S500 VanDerWaalsContact C-N 3.28Å; P498-S500 PolarHBondContact O-N 2.89Å; S500-S502 PolarHBondContact O-N 2.93Å; S500-S502 VanDerWaalsContact O-N 3.13Å; S500-L509 WeakPolarHBondContact OG-CD1 3.2Å
501L54.8Low69.5Low197 Ų19772.1 Ų72.1100%1.03137%0.366SS*.  trans-84.766.1172.3-69.8166.9000108.8
502S63.8Low69Low49 Ų4976.4 Ų76.434%0.34340%0.396SS..  trans-115.9144.2177.4-173.90000110.7S500 L504S500-S502 PolarHBondContact O-N 2.93Å; S500-S502 VanDerWaalsContact O-N 3.13Å; S502-L504 PolarHBondContact O-N 2.85Å; S502-L504 WeakPolarHBondContact OG-CB 3.46Å; S502-L504 WeakPolarHBondContact OG-CG 3.44Å; S502-L504 PolarHBondContact OG-N 3.25Å
503L64Low68.5Low150 Ų15081.3 Ų81.379%0.78542%0.423SS*.SBendtrans-71.5-15.1170.5-67.8169.5000112.4
504L69.6Low67.7Low88 Ų8880.1 Ų80.146%0.46142%0.423SS..SBendtrans-60.7153.9176.8-66.4169.6000111.3S502 L509S502-L504 PolarHBondContact O-N 2.85Å; S502-L504 WeakPolarHBondContact OG-CB 3.46Å; S502-L504 WeakPolarHBondContact OG-CG 3.44Å; S502-L504 PolarHBondContact OG-N 3.25Å; L504-L509 HydrophobicContact CB-CD2 4.33Å; L504-L509 HydrophobicContact CB-CG 4.14Å; L504-L509 HydrophobicContact CD1-CD2 4.13Å
505S75.1Confident66.9Low5 Ų582.3 Ų82.34%0.03544%0.441CS..  trans-67.7145176.479.10000110.1A507 Q508 L509 S558 E578S505-A507 PolarHBondContact O-N 3.07Å; S505-A507 VanDerWaalsContact O-N 3.14Å; S505-Q508 WeakPolarHBondContact O-CB 3.35Å; S505-Q508 PolarHBondContact O-N 3.09Å; S505-Q508 VanDerWaalsContact OG-CG 3.24Å; S505-Q508 WeakPolarHBondContact OG-CG 3.42Å; S505-Q508 PolarHBondContact OG-N 3.49Å; S505-Q508 VanDerWaalsContact OG-N 3.15Å; S505-L509 PolarHBondContact O-N 3.18Å; S505-L509 VanDerWaalsContact O-N 3.13Å; S505-S558 WeakPolarHBondContact OG-CB 3.45Å; S505-S558 PolarHBondContact OG-OG 2.92Å; S505-E578 WeakPolarHBondContact CA-OE1 3.44Å
506T75.9Confident66.6Low5 Ų579.8 Ų79.83%0.03143%0.426CS..Hα-helixtrans-55.2-34176.2-640000111.6R497 P498 L509 I510 W556 E578R497-T506 HydrophobicContact CG-CG2 4.12Å; P498-T506 HydrophobicContact CG-CG2 4.17Å; T506-L509 PolarHBondContact O-N 3.12Å; T506-I510 HydrophobicContact CG2-CD1 3.61Å; T506-I510 HydrophobicContact CG2-CG1 4.28Å; T506-I510 WeakPolarHBondContact O-CB 3.48Å; T506-I510 VanDerWaalsContact O-CG1 3.24Å; T506-I510 WeakPolarHBondContact O-CG1 3.42Å; T506-I510 PolarHBondContact O-N 3.28Å; T506-W556 HydrophobicContact CG2-CB 4.36Å; T506-W556 HydrophobicContact CG2-CD2 3.69Å; T506-W556 HydrophobicContact CG2-CE3 4.22Å; T506-W556 HydrophobicContact CG2-CG 3.75Å; T506-E578 WeakPolarHBondContact CB-OE2 3.49Å; T506-E578 PolarHBondContact N-OE1 2.88Å; T506-E578 PolarHBondContact N-OE2 3.37Å; T506-E578 PolarHBondContact OG1-OE2 2.81Å
507A74.4Confident66.1Low1 Ų175.2 Ų75.21%0.00841%0.41CS..Hα-helixtrans-67.2-38.6176.100000113.3S505 S511 T534 W556S505-A507 PolarHBondContact O-N 3.07Å; S505-A507 VanDerWaalsContact O-N 3.14Å; A507-S511 WeakPolarHBondContact O-CB 3.39Å; A507-S511 PolarHBondContact O-N 3.49Å; A507-S511 PolarHBondContact O-OG 2.8Å; A507-T534 HydrophobicContact CB-CG2 3.63Å; A507-W556 HydrophobicContact CB-CB 4.32Å
508Q77.4Confident65.6Low44 Ų4470.7 Ų70.721%0.20639%0.393CS..Hα-helixtrans-62.6-47.7173.6-76.2169.6-26.500111.7S505 S511 S512 D538 N560S505-Q508 WeakPolarHBondContact O-CB 3.35Å; S505-Q508 PolarHBondContact O-N 3.09Å; S505-Q508 VanDerWaalsContact OG-CG 3.24Å; S505-Q508 WeakPolarHBondContact OG-CG 3.42Å; S505-Q508 PolarHBondContact OG-N 3.49Å; S505-Q508 VanDerWaalsContact OG-N 3.15Å; Q508-S511 PolarHBondContact O-N 3.26Å; Q508-S512 PolarHBondContact O-N 3.08Å; Q508-S512 PolarHBondContact O-OG 2.91Å; Q508-D538 VanDerWaalsContact CD-OD2 3.31Å; Q508-D538 WeakPolarHBondContact CG-OD2 3.27Å; Q508-D538 PolarHBondContact NE2-OD2 3.38Å; Q508-N560 PolarHBondContact NE2-ND2 3.4Å; Q508-N560 VanDerWaalsContact NE2-ND2 3.13Å
509L74.8Confident64.8Low25 Ų2571.5 Ų71.513%0.13141%0.406CS..Hα-helixtrans-60-49.3179.3-70165.3000111.4P498 S500 L504 S505 T506 S511 S512 L513P498-L509 HydrophobicContact CG-CB 4.04Å; P498-L509 HydrophobicContact CG-CD1 4.27Å; S500-L509 WeakPolarHBondContact OG-CD1 3.2Å; L504-L509 HydrophobicContact CB-CD2 4.33Å; L504-L509 HydrophobicContact CB-CG 4.14Å; L504-L509 HydrophobicContact CD1-CD2 4.13Å; S505-L509 PolarHBondContact O-N 3.18Å; S505-L509 VanDerWaalsContact O-N 3.13Å; T506-L509 PolarHBondContact O-N 3.12Å; L509-S511 VanDerWaalsContact C-N 3.28Å; L509-S511 PolarHBondContact O-N 3.2Å; L509-S512 PolarHBondContact O-N 3.44Å; L509-S512 PolarHBondContact O-OG 3.09Å; L509-L513 WeakPolarHBondContact O-CD1 3.28Å; L509-L513 VanDerWaalsContact O-CG 3.25Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.97Å
510I73.3Confident63.9Low10 Ų1066 Ų665%0.05141%0.405CS..Hα-helixtrans-62.5-37.1178.3-70.7172000111.2R492 N494 P498 T506 L513 T534 W556R492-I510 HydrophobicContact CG-CG2 4.46Å; R492-I510 PolarHBondContact NE-O 2.84Å; N494-I510 HydrophobicContact CB-CG2 4.37Å; P498-I510 HydrophobicContact CG-CG1 3.98Å; T506-I510 HydrophobicContact CG2-CD1 3.61Å; T506-I510 HydrophobicContact CG2-CG1 4.28Å; T506-I510 WeakPolarHBondContact O-CB 3.48Å; T506-I510 VanDerWaalsContact O-CG1 3.24Å; T506-I510 WeakPolarHBondContact O-CG1 3.42Å; T506-I510 PolarHBondContact O-N 3.28Å; I510-L513 PolarHBondContact O-N 3.11Å; I510-T534 HydrophobicContact CB-CG2 4.24Å; I510-T534 HydrophobicContact CD1-CG2 4.33Å; I510-T534 HydrophobicContact CG2-CG2 4.09Å; I510-W556 HydrophobicContact CD1-CD2 4.4Å; I510-W556 HydrophobicContact CD1-CE3 3.66Å; I510-W556 HydrophobicContact CD1-CZ3 3.73Å
511S71.6Confident63.4Low25 Ų2567.2 Ų67.218%0.17543%0.425CS..Hα-helixtrans-67.8-33.6175.8-74.40000113.7R492 A507 Q508 L509 L513 N536R492-S511 PolarHBondContact NH2-O 3.31Å; A507-S511 WeakPolarHBondContact O-CB 3.39Å; A507-S511 PolarHBondContact O-N 3.49Å; A507-S511 PolarHBondContact O-OG 2.8Å; Q508-S511 PolarHBondContact O-N 3.26Å; L509-S511 VanDerWaalsContact C-N 3.28Å; L509-S511 PolarHBondContact O-N 3.2Å; S511-L513 VanDerWaalsContact C-N 3.35Å; S511-N536 WeakPolarHBondContact OG-CB 3.44Å
512S67Low63.3Low91 Ų9167.5 Ų67.564%0.63641%0.413SS*.Hα-helixtrans-74.7-17177.6610000115.1Q508 L509Q508-S512 PolarHBondContact O-N 3.08Å; Q508-S512 PolarHBondContact O-OG 2.91Å; L509-S512 PolarHBondContact O-N 3.44Å; L509-S512 PolarHBondContact O-OG 3.09Å
513L64Low62.6Low130 Ų13074.3 Ų74.368%0.68144%0.439SS*.THydrogen-bonded Turntrans-914.5-168.4-75.4165.3000115.5P498 L509 I510 S511P498-L513 HydrophobicContact CB-CD1 4.39Å; L509-L513 WeakPolarHBondContact O-CD1 3.28Å; L509-L513 VanDerWaalsContact O-CG 3.25Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.97Å; I510-L513 PolarHBondContact O-N 3.11Å; S511-L513 VanDerWaalsContact C-N 3.35Å
514G58.1Low62.3Low34 Ų3470.2 Ų70.235%0.35142%0.418SS..SBendtrans170.7173173.100000114.2R492R492-G514 PolarHBondContact NH1-O 3.19Å; R492-G514 PolarHBondContact NH2-O 2.82Å
515P54.4Low62Low122 Ų12271.7 Ų71.779%0.79242%0.423SS*.  trans-70.8160.1179.227.4-32.2000112.9R492R492-P515 PolarHBondContact NH1-O 3.09Å
516A58.2Low61.3Low41 Ų4177.4 Ų77.434%0.33946%0.462SS..  trans-62.8142.6-179.200000111.7W518A516-W518 PolarHBondContact O-N 3.22Å
517P56.7Low60.9Low63 Ų6383 Ų8341%0.40949%0.492SS..SBendtrans-65.2-24.3-176.1-17.428.9000114.1
518W59.9Low61Low59 Ų5983.7 Ų83.722%0.22349%0.494CS..  trans-100.290.7-172.1-5092.4000109.3L488 T493 A516 W528L488-W518 HydrophobicContact CB-CB 4.44Å; L488-W518 HydrophobicContact CD2-CB 3.99Å; L488-W518 HydrophobicContact CD2-CD2 3.71Å; L488-W518 HydrophobicContact CD2-CE3 4.06Å; L488-W518 HydrophobicContact CD2-CG 3.65Å; T493-W518 HydrophobicContact CG2-CZ2 4.37Å; A516-W518 PolarHBondContact O-N 3.22Å; W518-W528 HydrophobicContact CH2-CB 3.6Å; W518-W528 HydrophobicContact CZ2-CB 4.23Å; W518-W528 HydrophobicContact CZ2-CE3 4.46Å; W518-W528 HydrophobicContact CZ3-CB 4.13Å
519G48.8Very low60.6Low45 Ų4583.4 Ų83.446%0.46449%0.494SS..  trans-67.5158.1172.400000112.2G521G519-G521 PolarHBondContact O-N 3.29Å
520P41.6Very low60.8Low146 Ų14683.8 Ų83.895%0.94850%0.5SS*.THydrogen-bonded Turntrans-68102.9176.528.1-30.4000108.8
521G47.6Very low61Low81 Ų8188.4 Ų88.484%0.83552%0.52SS*.THydrogen-bonded Turntrans134.58.4172.600000118.3G519G519-G521 PolarHBondContact O-N 3.29Å
522R53.1Low61.5Low204 Ų20487.2 Ų87.277%0.7751%0.511SS*.PPolyproline II helixtrans-94.1130.4169.3-74.9-169.5177.7-150.60.3111.2L524R522-L524 PolarHBondContact O-N 3.05Å
523E48.8Very low62.2Low192 Ų19283.6 Ų83.690%0.89749%0.486SS*.PPolyproline II helixtrans-57123.9168.1-71.8-178.6166.600109.3E525E523-E525 PolarHBondContact O-N 3.37Å
524L59Low63.2Low64 Ų6477.5 Ų77.534%0.33545%0.454SS..PPolyproline II helixtrans-71.5120.3179-98.269.9000109.6L488 R522 W528L488-L524 HydrophobicContact CD1-CD1 3.88Å; L488-L524 HydrophobicContact CD1-CD2 3.84Å; L488-L524 HydrophobicContact CD1-CG 4.44Å; L488-L524 HydrophobicContact CD2-CD1 4.18Å; L488-L524 HydrophobicContact CD2-CD2 4.06Å; L488-L524 HydrophobicContact CD2-CG 4.3Å; L488-L524 HydrophobicContact CG-CD2 4.39Å; R522-L524 PolarHBondContact O-N 3.05Å; L524-W528 HydrophobicContact CD2-CD2 3.71Å; L524-W528 HydrophobicContact CD2-CE3 4.44Å; L524-W528 HydrophobicContact CD2-CG 3.91Å; L524-W528 HydrophobicContact CD2-CH2 4.47Å; L524-W528 HydrophobicContact CD2-CZ2 3.79Å; L524-W528 HydrophobicContact CG-CD2 4.3Å; L524-W528 HydrophobicContact CG-CG 4.13Å
525E62.2Low64.5Low119 Ų11975.9 Ų75.956%0.55644%0.437SS*.PPolyproline II helixtrans-58.8149.3167.4-69.8179.6167.300111.4E523 D527 W528 K531E523-E525 PolarHBondContact O-N 3.37Å; E525-D527 PolarHBondContact O-N 3.06Å; E525-W528 PolarHBondContact O-N 3.34Å; E525-K531 IonicContact OE2-NZ 2.62Å; E525-K531 PolarHBondContact OE2-NZ 2.84Å
526S60.2Low66Low124 Ų12471 Ų7187%0.86740%0.404SS*.THydrogen-bonded Turntrans-55.4-25.3-172.5-41.90000115.6
527D68.6Low67.2Low123 Ų12369.1 Ų69.166%0.65839%0.389SS*.THydrogen-bonded Turntrans-120.923.2-175.2-73-32.7000114.6E525 M529 A530E525-D527 PolarHBondContact O-N 3.06Å; D527-M529 PolarHBondContact O-N 3.46Å; D527-M529 VanDerWaalsContact O-N 3.1Å; D527-A530 PolarHBondContact O-N 2.94Å
528W75.1Confident68.4Low16 Ų1667.2 Ų67.26%0.06138%0.375CS..G310 helixtrans-52.9-34.9-17869.6-81.3000114.3Q484 L487 L488 W518 L524 E525 A530 K531 I532Q484-W528 HydrophobicContact CG-CH2 4.25Å; Q484-W528 HydrophobicContact CG-CZ2 3.86Å; L487-W528 HydrophobicContact CB-CH2 4.23Å; L487-W528 HydrophobicContact CD2-CH2 3.36Å; L487-W528 HydrophobicContact CD2-CZ2 4.32Å; L487-W528 HydrophobicContact CD2-CZ3 3.64Å; L487-W528 HydrophobicContact CG-CH2 4.37Å; L488-W528 HydrophobicContact CD2-CD2 4.24Å; L488-W528 HydrophobicContact CD2-CE3 3.54Å; L488-W528 HydrophobicContact CD2-CH2 3.85Å; L488-W528 HydrophobicContact CD2-CZ3 3.3Å; L488-W528 HydrophobicContact CG-CE3 4.36Å; L488-W528 HydrophobicContact CG-CH2 3.74Å; L488-W528 HydrophobicContact CG-CZ3 3.67Å; W518-W528 HydrophobicContact CH2-CB 3.6Å; W518-W528 HydrophobicContact CZ2-CB 4.23Å; W518-W528 HydrophobicContact CZ2-CE3 4.46Å; W518-W528 HydrophobicContact CZ3-CB 4.13Å; L524-W528 HydrophobicContact CD2-CD2 3.71Å; L524-W528 HydrophobicContact CD2-CE3 4.44Å; L524-W528 HydrophobicContact CD2-CG 3.91Å; L524-W528 HydrophobicContact CD2-CH2 4.47Å; L524-W528 HydrophobicContact CD2-CZ2 3.79Å; L524-W528 HydrophobicContact CG-CD2 4.3Å; L524-W528 HydrophobicContact CG-CG 4.13Å; E525-W528 PolarHBondContact O-N 3.34Å; W528-A530 VanDerWaalsContact C-N 3.3Å; W528-A530 PolarHBondContact O-N 2.97Å; W528-K531 WeakPolarHBondContact O-CB 3.43Å; W528-K531 PolarHBondContact O-N 3.49Å; W528-K531 VanDerWaalsContact O-N 3.15Å; W528-I532 HydrophobicContact CE3-CD1 4.02Å; W528-I532 HydrophobicContact CZ3-CD1 3.76Å
529M70.4Confident69.4Low38 Ų3869.6 Ų69.619%0.18739%0.392CS..G310 helixtrans-64-31.2178.3-84.4-166.1-82.200113.4L487 D527 K531 I532 K550 L551L487-M529 HydrophobicContact CD2-CG 3.89Å; L487-M529 HydrophobicContact CD2-SD 4.01Å; D527-M529 PolarHBondContact O-N 3.46Å; D527-M529 VanDerWaalsContact O-N 3.1Å; M529-K531 PolarHBondContact O-N 2.88Å; M529-I532 HydrophobicContact CG-CD1 4.36Å; M529-I532 PolarHBondContact O-N 3.31Å; M529-K550 HydrophobicContact CB-CB 4.33Å; M529-K550 HydrophobicContact CE-CB 4.18Å; M529-K550 HydrophobicContact CE-CD 3.43Å; M529-K550 VanDerWaalsContact CE-CD 3.43Å; M529-K550 HydrophobicContact CE-CG 4.43Å; M529-K550 HydrophobicContact SD-CB 4.08Å; M529-K550 HydrophobicContact SD-CD 4.3Å; M529-L551 HydrophobicContact CB-CD2 4.02Å; M529-L551 HydrophobicContact CG-CD2 4.21Å; M529-L551 VanDerWaalsContact O-CD2 3.32Å; M529-L551 WeakPolarHBondContact O-CD2 3.28Å
530A78.2Confident70.7Confident32 Ų3271 Ų7126%0.26439%0.386SS..G310 helixtrans-72.4-18.2178.400000112.3D527 W528 N553D527-A530 PolarHBondContact O-N 2.94Å; W528-A530 VanDerWaalsContact C-N 3.3Å; W528-A530 PolarHBondContact O-N 2.97Å; A530-N553 WeakPolarHBondContact O-CB 3.43Å; A530-N553 PolarHBondContact O-ND2 2.96Å
531K77.1Confident72.2Confident107 Ų10769.9 Ų69.947%0.46536%0.363SS..G310 helixtrans-82.3-13.9176.8-64.1-179.3177.1177.10113T493 E525 W528 M529 T533T493-K531 WeakPolarHBondContact CB-O 3.49Å; T493-K531 HydrophobicContact CG2-CB 4.03Å; T493-K531 WeakPolarHBondContact CG2-O 3.39Å; E525-K531 IonicContact OE2-NZ 2.62Å; E525-K531 PolarHBondContact OE2-NZ 2.84Å; W528-K531 WeakPolarHBondContact O-CB 3.43Å; W528-K531 PolarHBondContact O-N 3.49Å; W528-K531 VanDerWaalsContact O-N 3.15Å; M529-K531 PolarHBondContact O-N 2.88Å; K531-T533 PolarHBondContact O-N 3.17Å
532I82.1Confident73.6Confident0 Ų066.1 Ų66.10%032%0.324CS..  trans-69.6124.6-178.8-63.7171.2000109.8L487 R492 W528 M529 T534 L535 L551 N553 L554L487-I532 HydrophobicContact CD2-CD1 3.63Å; L487-I532 HydrophobicContact CG-CD1 4.46Å; R492-I532 WeakPolarHBondContact O-CA 3.5Å; W528-I532 HydrophobicContact CE3-CD1 4.02Å; W528-I532 HydrophobicContact CZ3-CD1 3.76Å; M529-I532 HydrophobicContact CG-CD1 4.36Å; M529-I532 PolarHBondContact O-N 3.31Å; I532-T534 WeakPolarHBondContact CG2-O 3.43Å; I532-L535 HydrophobicContact CG2-CD1 4.43Å; I532-L551 HydrophobicContact CB-CD2 4Å; I532-L551 HydrophobicContact CD1-CD2 3.69Å; I532-L551 HydrophobicContact CG1-CD2 4.37Å; I532-L551 HydrophobicContact CG2-CD2 4.29Å; I532-N553 CarbonylContact O-C 3.3Å; I532-L554 HydrophobicContact CG2-CD1 4.25Å; I532-L554 PolarHBondContact O-N 2.97Å
533T82.8Confident74.5Confident16 Ų1657.5 Ų57.510%0.09829%0.292CS..  trans-112.5-28.8178.753.70000112.1R492 T493 N494 K531 R555 W556R492-T533 PolarHBondContact O-N 2.93Å; R492-T533 PolarHBondContact O-OG1 3.39Å; T493-T533 WeakPolarHBondContact CA-OG1 3.3Å; N494-T533 PolarHBondContact N-OG1 2.77Å; N494-T533 VanDerWaalsContact N-OG1 3.13Å; N494-T533 WeakPolarHBondContact O-CB 3.47Å; N494-T533 PolarHBondContact O-OG1 2.83Å; K531-T533 PolarHBondContact O-N 3.17Å; T533-R555 PolarHBondContact O-N 3.33Å; T533-W556 PolarHBondContact O-N 3.22Å; T533-W556 VanDerWaalsContact O-N 3.15Å
534T83.8Confident75.7Confident1 Ų153.7 Ų53.71%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-124.4136.8-179.3-46.90000110.7S491 R492 A507 I510 I532 W556S491-T534 WeakPolarHBondContact CA-O 3.44Å; R492-T534 PolarHBondContact N-O 3.08Å; R492-T534 PolarHBondContact O-N 3.32Å; R492-T534 VanDerWaalsContact O-N 3.12Å; A507-T534 HydrophobicContact CB-CG2 3.63Å; I510-T534 HydrophobicContact CB-CG2 4.24Å; I510-T534 HydrophobicContact CD1-CG2 4.33Å; I510-T534 HydrophobicContact CG2-CG2 4.09Å; I532-T534 WeakPolarHBondContact CG2-O 3.43Å; T534-W556 WeakPolarHBondContact CA-O 3.45Å; T534-W556 HydrophobicContact CG2-CB 4.45Å
535L86.5Confident76.6Confident0 Ų050.8 Ų50.80%026%0.257CS..EExtended strand (participates in β ladder)trans-136126.5176.9-160.669.7000111.1L487 I532 F537 L548 L551 L554 W556 A557 S558 F559L487-L535 HydrophobicContact CD1-CD1 4.35Å; L487-L535 HydrophobicContact CG-CD1 4.4Å; I532-L535 HydrophobicContact CG2-CD1 4.43Å; L535-F537 HydrophobicContact CD1-CD2 4.04Å; L535-F537 HydrophobicContact CD1-CE2 3.57Å; L535-F537 HydrophobicContact CD2-CD2 3.82Å; L535-F537 HydrophobicContact CD2-CE2 3.85Å; L535-F537 HydrophobicContact CG-CD2 3.62Å; L535-F537 HydrophobicContact CG-CE2 3.68Å; L535-L548 HydrophobicContact CD2-CD2 3.67Å; L535-L551 HydrophobicContact CD2-CD1 3.96Å; L535-L554 HydrophobicContact CB-CD1 3.72Å; L535-W556 PolarHBondContact N-O 3.23Å; L535-A557 CarbonylContact O-C 3.57Å; L535-A557 WeakPolarHBondContact O-CA 3.3Å; L535-S558 PolarHBondContact O-N 3.27Å; L535-F559 HydrophobicContact CD2-CE1 4.1Å; L535-F559 HydrophobicContact CD2-CZ 3.86Å
536N85.8Confident77Confident20 Ų2050.5 Ų50.511%0.10725%0.254CS..EExtended strand (participates in β ladder)trans-127102.5177.3-177.8-3.4000111.2Q490 S511 D538Q490-N536 VanDerWaalsContact CB-O 3.31Å; Q490-N536 WeakPolarHBondContact CB-O 3.43Å; Q490-N536 PolarHBondContact O-N 3.43Å; Q490-N536 VanDerWaalsContact O-N 3.13Å; Q490-N536 PolarHBondContact OE1-O 3.14Å; S511-N536 WeakPolarHBondContact OG-CB 3.44Å; N536-D538 WeakPolarHBondContact OD1-CB 3.41Å; N536-D538 PolarHBondContact OD1-N 2.9Å; N536-D538 PolarHBondContact OD1-OD1 3.46Å; N536-D538 PolarHBondContact OD1-OD2 3.37Å
537F83.7Confident77.4Confident2 Ų249.9 Ų49.91%0.00924%0.241CC..  trans-11342.5174.7-83.2-84.4000111.3I482 A486 L487 Q490 L535 Q540 L542 S558 F559 N562I482-F537 HydrophobicContact CG2-CE1 4.19Å; I482-F537 HydrophobicContact CG2-CE2 4.22Å; I482-F537 HydrophobicContact CG2-CZ 3.69Å; A486-F537 HydrophobicContact CB-CE1 3.98Å; A486-F537 HydrophobicContact CB-CZ 4.44Å; L487-F537 HydrophobicContact CB-CZ 4.38Å; L487-F537 HydrophobicContact CD1-CE2 4.05Å; L487-F537 HydrophobicContact CD1-CZ 4.18Å; Q490-F537 HydrophobicContact CB-CE1 4.34Å; Q490-F537 HydrophobicContact CB-CE2 4.36Å; Q490-F537 HydrophobicContact CB-CZ 4.2Å; Q490-F537 HydrophobicContact CG-CE1 4.38Å; L535-F537 HydrophobicContact CD1-CD2 4.04Å; L535-F537 HydrophobicContact CD1-CE2 3.57Å; L535-F537 HydrophobicContact CD2-CD2 3.82Å; L535-F537 HydrophobicContact CD2-CE2 3.85Å; L535-F537 HydrophobicContact CG-CD2 3.62Å; L535-F537 HydrophobicContact CG-CE2 3.68Å; F537-Q540 HydrophobicContact CB-CG 4.19Å; F537-Q540 HydrophobicContact CD1-CB 4.35Å; F537-Q540 HydrophobicContact CD1-CG 3.91Å; F537-L542 HydrophobicContact CB-CD1 3.77Å; F537-L542 HydrophobicContact CD1-CD1 4.07Å; F537-L542 HydrophobicContact CG-CD1 4.1Å; F537-S558 PolarHBondContact N-O 2.71Å; F537-F559 HydrophobicContact CB-CD1 3.74Å; F537-F559 HydrophobicContact CB-CE1 4.03Å; F537-F559 HydrophobicContact CD2-CE1 4.08Å; F537-F559 HydrophobicContact CG-CE1 4.44Å; F537-N562 PolarHBondContact O-ND2 3.45Å
538D82.2Confident77.6Confident22 Ų2244 Ų4412%0.11821%0.21CC..THydrogen-bonded Turntrans-69.3142.1176.3-64.6-11.8000111.4Q508 N536 Q540 S558 F559 N560Q508-D538 VanDerWaalsContact CD-OD2 3.31Å; Q508-D538 WeakPolarHBondContact CG-OD2 3.27Å; Q508-D538 PolarHBondContact NE2-OD2 3.38Å; N536-D538 WeakPolarHBondContact OD1-CB 3.41Å; N536-D538 PolarHBondContact OD1-N 2.9Å; N536-D538 PolarHBondContact OD1-OD1 3.46Å; N536-D538 PolarHBondContact OD1-OD2 3.37Å; D538-Q540 VanDerWaalsContact C-N 3.3Å; D538-Q540 WeakPolarHBondContact O-CG 3.37Å; D538-Q540 PolarHBondContact O-N 3.46Å; D538-Q540 PolarHBondContact O-NE2 3.03Å; D538-S558 VanDerWaalsContact CG-OG 3.26Å; D538-S558 VanDerWaalsContact OD1-CB 3.25Å; D538-S558 WeakPolarHBondContact OD1-CB 3.29Å; D538-S558 PolarHBondContact OD1-OG 3.04Å; D538-S558 PolarHBondContact OD2-OG 3.46Å; D538-S558 VanDerWaalsContact OD2-OG 3.07Å; D538-F559 PolarHBondContact OD1-N 2.87Å; D538-N560 VanDerWaalsContact CA-O 3.31Å; D538-N560 WeakPolarHBondContact CA-O 2.82Å; D538-N560 HydrophobicContact CB-CB 4.38Å; D538-N560 WeakPolarHBondContact OD1-CB 3.49Å; D538-N560 PolarHBondContact OD1-N 2.93Å
539N79.6Confident77.6Confident109 Ų10946.3 Ų46.358%0.58323%0.229SC*.THydrogen-bonded Turntrans5930.6178-73.7-50000115.7N560 D561N539-N560 PolarHBondContact N-O 3.5Å; N539-D561 WeakPolarHBondContact OD1-CB 3.17Å
540Q75.8Confident77.9Confident74 Ų7450.9 Ų50.935%0.34625%0.248SC..SBendtrans-97.210.2-177.3-60.5-62.1-54.100113.1F537 D538 L542 N562F537-Q540 HydrophobicContact CB-CG 4.19Å; F537-Q540 HydrophobicContact CD1-CB 4.35Å; F537-Q540 HydrophobicContact CD1-CG 3.91Å; D538-Q540 VanDerWaalsContact C-N 3.3Å; D538-Q540 WeakPolarHBondContact O-CG 3.37Å; D538-Q540 PolarHBondContact O-N 3.46Å; D538-Q540 PolarHBondContact O-NE2 3.03Å; Q540-L542 HydrophobicContact CB-CD1 4.12Å; Q540-L542 HydrophobicContact CB-CD2 4.43Å; Q540-L542 HydrophobicContact CB-CG 3.8Å; Q540-L542 PolarHBondContact O-N 2.75Å; Q540-N562 VanDerWaalsContact C-OD1 3.28Å; Q540-N562 WeakPolarHBondContact CA-OD1 3.31Å; Q540-N562 PolarHBondContact N-OD1 2.97Å; Q540-N562 VanDerWaalsContact N-OD1 3.09Å
541R72.9Confident78Confident123 Ų12349.4 Ų49.446%0.46424%0.235SC..  trans50.528.1-178.3-58-179.2179.7172.92.1113.1M476 N562M476-R541 PolarHBondContact SD-NH1 2.99Å; R541-N562 PolarHBondContact N-OD1 2.88Å
542L76.9Confident78.2Confident3 Ų347.8 Ų47.82%0.01623%0.234CC..  trans-67.5144.5-175.3-66.9173.4000111.3V480 I482 F537 Q540 N562 N563 I564V480-L542 WeakPolarHBondContact O-CD2 3.3Å; I482-L542 HydrophobicContact CD1-CD1 4.25Å; I482-L542 HydrophobicContact CG1-CD1 4.14Å; I482-L542 HydrophobicContact CG1-CD2 3.87Å; F537-L542 HydrophobicContact CB-CD1 3.77Å; F537-L542 HydrophobicContact CD1-CD1 4.07Å; F537-L542 HydrophobicContact CG-CD1 4.1Å; Q540-L542 HydrophobicContact CB-CD1 4.12Å; Q540-L542 HydrophobicContact CB-CD2 4.43Å; Q540-L542 HydrophobicContact CB-CG 3.8Å; Q540-L542 PolarHBondContact O-N 2.75Å; L542-N562 HydrophobicContact CB-CB 4.2Å; L542-N562 WeakPolarHBondContact CB-OD1 3.33Å; L542-N562 PolarHBondContact N-OD1 3.15Å; L542-N563 CarbonylContact O-C 3.59Å; L542-N563 VanDerWaalsContact O-CA 3.28Å; L542-N563 WeakPolarHBondContact O-CA 3.35Å; L542-N563 PolarHBondContact O-N 3.13Å; L542-I564 HydrophobicContact CB-CG1 4.4Å; L542-I564 PolarHBondContact O-N 2.79Å
543F73.1Confident78.4Confident23 Ų2350.4 Ų50.410%0.10125%0.248CC..  trans-112.5-25.5-178.2-71.4-59.1000114.5R417 V480 N563R417-F543 VanDerWaalsContact NE-CE1 3.33Å; V480-F543 HydrophobicContact CB-CD2 4.33Å; V480-F543 HydrophobicContact CG1-CD2 3.51Å; V480-F543 HydrophobicContact CG1-CE2 4.14Å; V480-F543 HydrophobicContact CG2-CD2 3.8Å; V480-F543 HydrophobicContact CG2-CE2 3.64Å; F543-N563 HydrophobicContact CD1-CB 3.34Å; F543-N563 HydrophobicContact CE1-CB 3.41Å; F543-N563 VanDerWaalsContact CE1-CB 3.41Å; F543-N563 HydrophobicContact CG-CB 4.47Å
544K74.4Confident78.6Confident111 Ų11149.7 Ų49.748%0.48324%0.244SC..SBendtrans-149.9144.5179.4-73.3-174.6178.3-178.20108.2F546K544-F546 HydrophobicContact CB-CD2 3.83Å; K544-F546 HydrophobicContact CB-CE2 3.4Å; K544-F546 HydrophobicContact CB-CZ 3.88Å; K544-F546 HydrophobicContact CD-CE1 4.36Å; K544-F546 HydrophobicContact CD-CE2 3.66Å; K544-F546 HydrophobicContact CD-CZ 3.39Å; K544-F546 HydrophobicContact CG-CE2 4.14Å; K544-F546 HydrophobicContact CG-CZ 4.29Å
545L77Confident78.7Confident3 Ų354 Ų542%0.01626%0.26CS..  trans-86.2111.2172.7-59.1176.3000108.2L548 F559 I564 L570L545-L548 HydrophobicContact CB-CD1 3.81Å; L545-L548 HydrophobicContact CD1-CD1 4.21Å; L545-L548 HydrophobicContact CD2-CD1 4.14Å; L545-L548 HydrophobicContact CG-CD1 4.27Å; L545-F559 HydrophobicContact CD1-CE2 4.41Å; L545-F559 HydrophobicContact CD2-CD1 3.64Å; L545-F559 HydrophobicContact CD2-CD2 4.5Å; L545-F559 HydrophobicContact CD2-CE1 3.58Å; L545-F559 HydrophobicContact CD2-CE2 4.42Å; L545-F559 HydrophobicContact CD2-CG 4.12Å; L545-F559 HydrophobicContact CD2-CZ 3.99Å; L545-I564 HydrophobicContact CD2-CD1 3.72Å; L545-I564 HydrophobicContact CG-CD1 4.14Å; L545-L570 HydrophobicContact CD1-CD1 4.04Å; L545-L570 HydrophobicContact CD1-CG 4.14Å
546F71.7Confident78.8Confident113 Ų11354.3 Ų54.350%0.49626%0.261SS..  trans-118.2157.1174.6-68.4-69.6000109.8K544 L548K544-F546 HydrophobicContact CB-CD2 3.83Å; K544-F546 HydrophobicContact CB-CE2 3.4Å; K544-F546 HydrophobicContact CB-CZ 3.88Å; K544-F546 HydrophobicContact CD-CE1 4.36Å; K544-F546 HydrophobicContact CD-CE2 3.66Å; K544-F546 HydrophobicContact CD-CZ 3.39Å; K544-F546 HydrophobicContact CG-CE2 4.14Å; K544-F546 HydrophobicContact CG-CZ 4.29Å; F546-L548 PolarHBondContact O-N 3.11Å; F546-L548 VanDerWaalsContact O-N 3.13Å
547N67Low79Confident111 Ų11153.4 Ų53.459%0.59426%0.256SS*.SBendtrans62.911.6175.3-63.2-18.8000117S549N547-S549 VanDerWaalsContact C-N 3.27Å; N547-S549 PolarHBondContact O-N 2.96Å
548L73.6Confident79.2Confident1 Ų153.3 Ų53.31%0.00526%0.256CS..G310 helixtrans-80.4-8.2175.1-56.5-177.6000113.3I482 L487 L535 L545 F546 K550 L551 F559 L570I482-L548 HydrophobicContact CD1-CD2 4.32Å; L487-L548 HydrophobicContact CD1-CD2 4.43Å; L535-L548 HydrophobicContact CD2-CD2 3.67Å; L545-L548 HydrophobicContact CB-CD1 3.81Å; L545-L548 HydrophobicContact CD1-CD1 4.21Å; L545-L548 HydrophobicContact CD2-CD1 4.14Å; L545-L548 HydrophobicContact CG-CD1 4.27Å; F546-L548 PolarHBondContact O-N 3.11Å; F546-L548 VanDerWaalsContact O-N 3.13Å; L548-K550 PolarHBondContact O-N 3.21Å; L548-K550 VanDerWaalsContact O-N 3.09Å; L548-L551 HydrophobicContact CB-CD1 4.19Å; L548-L551 HydrophobicContact CD2-CD1 3.55Å; L548-L551 HydrophobicContact CG-CD1 4.45Å; L548-L551 WeakPolarHBondContact O-CB 3.38Å; L548-L551 PolarHBondContact O-N 3.28Å; L548-L551 VanDerWaalsContact O-N 3.07Å; L548-F559 HydrophobicContact CD1-CE1 4.32Å; L548-F559 HydrophobicContact CD1-CZ 3.72Å; L548-L570 HydrophobicContact CD1-CD2 3.67Å
549S75.1Confident79.6Confident64 Ų6452.2 Ų52.245%0.44825%0.25SS..G310 helixtrans-62.5-23-174.354.50000114.2N547 T572N547-S549 VanDerWaalsContact C-N 3.27Å; N547-S549 PolarHBondContact O-N 2.96Å; S549-T572 WeakPolarHBondContact CA-OG1 3.35Å; S549-T572 WeakPolarHBondContact O-CB 3.22Å; S549-T572 PolarHBondContact O-OG1 3.34Å
550K76.4Confident79.9Confident134 Ų13447.3 Ų47.358%0.58322%0.224SC*.G310 helixtrans-86.9-5-179.2-63.4-179.8176.1-174.80113.6M529 L548 V552M529-K550 HydrophobicContact CB-CB 4.33Å; M529-K550 HydrophobicContact CE-CB 4.18Å; M529-K550 HydrophobicContact CE-CD 3.43Å; M529-K550 VanDerWaalsContact CE-CD 3.43Å; M529-K550 HydrophobicContact CE-CG 4.43Å; M529-K550 HydrophobicContact SD-CB 4.08Å; M529-K550 HydrophobicContact SD-CD 4.3Å; L548-K550 PolarHBondContact O-N 3.21Å; L548-K550 VanDerWaalsContact O-N 3.09Å; K550-V552 VanDerWaalsContact C-N 3.35Å; K550-V552 PolarHBondContact O-N 2.91Å; K550-V552 VanDerWaalsContact O-N 3.14Å
551L79.7Confident80.2Confident0 Ų046.2 Ų46.20%022%0.22CC..  trans-89.162.2-175.6-55.7177.5000112.2L487 M529 I532 L535 L548 N553 L554L487-L551 HydrophobicContact CD2-CD2 4.37Å; M529-L551 HydrophobicContact CB-CD2 4.02Å; M529-L551 HydrophobicContact CG-CD2 4.21Å; M529-L551 VanDerWaalsContact O-CD2 3.32Å; M529-L551 WeakPolarHBondContact O-CD2 3.28Å; I532-L551 HydrophobicContact CB-CD2 4Å; I532-L551 HydrophobicContact CD1-CD2 3.69Å; I532-L551 HydrophobicContact CG1-CD2 4.37Å; I532-L551 HydrophobicContact CG2-CD2 4.29Å; L535-L551 HydrophobicContact CD2-CD1 3.96Å; L548-L551 HydrophobicContact CB-CD1 4.19Å; L548-L551 HydrophobicContact CD2-CD1 3.55Å; L548-L551 HydrophobicContact CG-CD1 4.45Å; L548-L551 WeakPolarHBondContact O-CB 3.38Å; L548-L551 PolarHBondContact O-N 3.28Å; L548-L551 VanDerWaalsContact O-N 3.07Å; L551-N553 VanDerWaalsContact C-N 3.27Å; L551-N553 PolarHBondContact O-N 3.43Å; L551-L554 HydrophobicContact CB-CB 4.13Å; L551-L554 HydrophobicContact CD1-CD2 4.33Å; L551-L554 WeakPolarHBondContact O-CB 3.37Å; L551-L554 PolarHBondContact O-N 3.1Å
552V82.8Confident80.8Confident73 Ų7340.4 Ų40.444%0.44220%0.198SC..THydrogen-bonded Turntrans-65.7-26.9-170.4-1730000113.4K550K550-V552 VanDerWaalsContact C-N 3.35Å; K550-V552 PolarHBondContact O-N 2.91Å; K550-V552 VanDerWaalsContact O-N 3.14Å
553N84.6Confident80.8Confident56 Ų5641.1 Ų41.130%0.29920%0.202SC..THydrogen-bonded Turntrans-100.412.8-179.1-68.2-52000114.4A530 I532 L551 R555 K575A530-N553 WeakPolarHBondContact O-CB 3.43Å; A530-N553 PolarHBondContact O-ND2 2.96Å; I532-N553 CarbonylContact O-C 3.3Å; L551-N553 VanDerWaalsContact C-N 3.27Å; L551-N553 PolarHBondContact O-N 3.43Å; N553-R555 PolarHBondContact O-N 3.38Å; N553-K575 PolarHBondContact OD1-NZ 3.04Å
554L86.8Confident81.3Confident0 Ų040 Ų400%020%0.198CC..  trans-62.6126.6178.5-170.568000110.7I532 L535 L551 A557 C573 K575 L576I532-L554 HydrophobicContact CG2-CD1 4.25Å; I532-L554 PolarHBondContact O-N 2.97Å; L535-L554 HydrophobicContact CB-CD1 3.72Å; L551-L554 HydrophobicContact CB-CB 4.13Å; L551-L554 HydrophobicContact CD1-CD2 4.33Å; L551-L554 WeakPolarHBondContact O-CB 3.37Å; L551-L554 PolarHBondContact O-N 3.1Å; L554-A557 HydrophobicContact CD2-CB 4.09Å; L554-C573 HydrophobicContact CB-CB 4.48Å; L554-K575 CarbonylContact O-C 3.58Å; L554-L576 HydrophobicContact CD2-CD1 4.01Å; L554-L576 HydrophobicContact CG-CD1 3.87Å; L554-L576 WeakPolarHBondContact O-CA 3.29Å; L554-L576 PolarHBondContact O-N 3.4Å; L554-L576 VanDerWaalsContact O-N 3.15Å
555R86.4Confident81.6Confident92 Ų9236.8 Ų36.835%0.34719%0.189SC..  trans-113.4-37.4179.4-68.3-174-178.1-13212.5112.8T533 N553 E577 E578T533-R555 PolarHBondContact O-N 3.33Å; N553-R555 PolarHBondContact O-N 3.38Å; R555-E577 IonicContact CZ-OE1 3.77Å; R555-E577 IonicContact NH1-OE1 2.89Å; R555-E577 PolarHBondContact NH1-OE1 3.36Å; R555-E577 PolarHBondContact O-N 2.84Å; R555-E578 PolarHBondContact O-N 3.05Å; R555-E578 VanDerWaalsContact O-N 3.08Å
556W89.1Confident81.8Confident6 Ų643.9 Ų43.92%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-131.4125.6-177.5-48.3-62.6000110.5R497 T506 A507 I510 T533 T534 L535R497-W556 HydrophobicContact CB-CH2 4.44Å; R497-W556 HydrophobicContact CB-CZ2 3.93Å; T506-W556 HydrophobicContact CG2-CB 4.36Å; T506-W556 HydrophobicContact CG2-CD2 3.69Å; T506-W556 HydrophobicContact CG2-CE3 4.22Å; T506-W556 HydrophobicContact CG2-CG 3.75Å; A507-W556 HydrophobicContact CB-CB 4.32Å; I510-W556 HydrophobicContact CD1-CD2 4.4Å; I510-W556 HydrophobicContact CD1-CE3 3.66Å; I510-W556 HydrophobicContact CD1-CZ3 3.73Å; T533-W556 PolarHBondContact O-N 3.22Å; T533-W556 VanDerWaalsContact O-N 3.15Å; T534-W556 WeakPolarHBondContact CA-O 3.45Å; T534-W556 HydrophobicContact CG2-CB 4.45Å; L535-W556 PolarHBondContact N-O 3.23Å
557A89.1Confident82.2Confident1 Ų138.6 Ų38.61%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-133.9133.9-179.400000111.9L535 L554 F559 L576 E578 L579 S580L535-A557 CarbonylContact O-C 3.57Å; L535-A557 WeakPolarHBondContact O-CA 3.3Å; L554-A557 HydrophobicContact CD2-CB 4.09Å; A557-F559 HydrophobicContact CB-CD2 4.41Å; A557-F559 HydrophobicContact CB-CE2 3.73Å; A557-F559 HydrophobicContact CB-CZ 4.35Å; A557-L576 HydrophobicContact CB-CD1 3.94Å; A557-E578 PolarHBondContact N-O 3.39Å; A557-L579 HydrophobicContact CB-CD1 3.94Å; A557-L579 WeakPolarHBondContact O-CA 3.47Å; A557-S580 PolarHBondContact O-N 3.31Å
558S89.9Confident82.8Confident0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-125.2128.1174.9-161.60000110.2S505 L535 F537 D538 N560S505-S558 WeakPolarHBondContact OG-CB 3.45Å; S505-S558 PolarHBondContact OG-OG 2.92Å; L535-S558 PolarHBondContact O-N 3.27Å; F537-S558 PolarHBondContact N-O 2.71Å; D538-S558 VanDerWaalsContact CG-OG 3.26Å; D538-S558 VanDerWaalsContact OD1-CB 3.25Å; D538-S558 WeakPolarHBondContact OD1-CB 3.29Å; D538-S558 PolarHBondContact OD1-OG 3.04Å; D538-S558 PolarHBondContact OD2-OG 3.46Å; D538-S558 VanDerWaalsContact OD2-OG 3.07Å; S558-N560 PolarHBondContact OG-ND2 3.47Å; S558-N560 VanDerWaalsContact OG-ND2 3.12Å
559F89Confident82.8Confident0 Ų037.2 Ų37.20%020%0.199CC..  trans-134.335.9178.2-57.8-78.5000110.7L535 F537 D538 L545 L548 A557 N562 I564 L579 S580 I581 N584L535-F559 HydrophobicContact CD2-CE1 4.1Å; L535-F559 HydrophobicContact CD2-CZ 3.86Å; F537-F559 HydrophobicContact CB-CD1 3.74Å; F537-F559 HydrophobicContact CB-CE1 4.03Å; F537-F559 HydrophobicContact CD2-CE1 4.08Å; F537-F559 HydrophobicContact CG-CE1 4.44Å; D538-F559 PolarHBondContact OD1-N 2.87Å; L545-F559 HydrophobicContact CD1-CE2 4.41Å; L545-F559 HydrophobicContact CD2-CD1 3.64Å; L545-F559 HydrophobicContact CD2-CD2 4.5Å; L545-F559 HydrophobicContact CD2-CE1 3.58Å; L545-F559 HydrophobicContact CD2-CE2 4.42Å; L545-F559 HydrophobicContact CD2-CG 4.12Å; L545-F559 HydrophobicContact CD2-CZ 3.99Å; L548-F559 HydrophobicContact CD1-CE1 4.32Å; L548-F559 HydrophobicContact CD1-CZ 3.72Å; A557-F559 HydrophobicContact CB-CD2 4.41Å; A557-F559 HydrophobicContact CB-CE2 3.73Å; A557-F559 HydrophobicContact CB-CZ 4.35Å; F559-N562 PolarHBondContact O-ND2 2.98Å; F559-I564 HydrophobicContact CB-CD1 3.88Å; F559-I564 HydrophobicContact CG-CD1 4.41Å; F559-L579 HydrophobicContact CD2-CD1 3.99Å; F559-L579 HydrophobicContact CE2-CD1 4.06Å; F559-S580 PolarHBondContact N-O 2.93Å; F559-I581 HydrophobicContact CB-CG1 4.43Å; F559-I581 HydrophobicContact CB-CG2 4.34Å; F559-I581 HydrophobicContact CD2-CG1 4.36Å; F559-N584 PolarHBondContact O-ND2 3.23Å
560N86.8Confident83.1Confident5 Ų534.1 Ų34.13%0.02718%0.178CC..THydrogen-bonded Turntrans-65.4150.8-177-61-29.8000111.2Q508 D538 N539 S558 N562 S580 I581 K582Q508-N560 PolarHBondContact NE2-ND2 3.4Å; Q508-N560 VanDerWaalsContact NE2-ND2 3.13Å; D538-N560 VanDerWaalsContact CA-O 3.31Å; D538-N560 WeakPolarHBondContact CA-O 2.82Å; D538-N560 HydrophobicContact CB-CB 4.38Å; D538-N560 WeakPolarHBondContact OD1-CB 3.49Å; D538-N560 PolarHBondContact OD1-N 2.93Å; N539-N560 PolarHBondContact N-O 3.5Å; S558-N560 PolarHBondContact OG-ND2 3.47Å; S558-N560 VanDerWaalsContact OG-ND2 3.12Å; N560-N562 VanDerWaalsContact C-N 3.31Å; N560-N562 PolarHBondContact O-N 3.01Å; N560-N562 PolarHBondContact O-ND2 3.22Å; N560-N562 VanDerWaalsContact O-ND2 3.1Å; N560-S580 VanDerWaalsContact CG-OG 3.32Å; N560-S580 PolarHBondContact ND2-OG 2.96Å; N560-S580 VanDerWaalsContact ND2-OG 3.14Å; N560-S580 VanDerWaalsContact OD1-C 3.26Å; N560-S580 WeakPolarHBondContact OD1-CB 3.48Å; N560-S580 PolarHBondContact OD1-O 2.73Å; N560-S580 PolarHBondContact OD1-OG 3.41Å; N560-I581 PolarHBondContact OD1-N 3.44Å; N560-K582 WeakPolarHBondContact CA-O 3.22Å; N560-K582 HydrophobicContact CB-CB 4.39Å; N560-K582 PolarHBondContact OD1-N 3.01Å
561D82.3Confident83.3Confident52 Ų5230.4 Ų30.428%0.27817%0.165SC..THydrogen-bonded Turntrans57.942172.9-55.2-62.2000113.4N539 K582 N583N539-D561 WeakPolarHBondContact OD1-CB 3.17Å; D561-K582 PolarHBondContact N-O 2.96Å; D561-N583 WeakPolarHBondContact OD1-CB 3.29Å; D561-N583 PolarHBondContact OD1-ND2 3.11Å
562N84.5Confident83.3Confident0 Ų033.1 Ų33.10%018%0.181CC..  trans-112.3-175.6173.1-73.7-71.3000110.8K442 F537 Q540 R541 L542 F559 N560 I564 N583 N584K442-N562 PolarHBondContact NZ-O 3.02Å; F537-N562 PolarHBondContact O-ND2 3.45Å; Q540-N562 VanDerWaalsContact C-OD1 3.28Å; Q540-N562 WeakPolarHBondContact CA-OD1 3.31Å; Q540-N562 PolarHBondContact N-OD1 2.97Å; Q540-N562 VanDerWaalsContact N-OD1 3.09Å; R541-N562 PolarHBondContact N-OD1 2.88Å; L542-N562 HydrophobicContact CB-CB 4.2Å; L542-N562 WeakPolarHBondContact CB-OD1 3.33Å; L542-N562 PolarHBondContact N-OD1 3.15Å; F559-N562 PolarHBondContact O-ND2 2.98Å; N560-N562 VanDerWaalsContact C-N 3.31Å; N560-N562 PolarHBondContact O-N 3.01Å; N560-N562 PolarHBondContact O-ND2 3.22Å; N560-N562 VanDerWaalsContact O-ND2 3.1Å; N562-I564 HydrophobicContact CB-CD1 4.03Å; N562-I564 HydrophobicContact CB-CG1 4.01Å; N562-N583 VanDerWaalsContact O-O 3.07Å; N562-N584 WeakPolarHBondContact CA-OD1 3.41Å; N562-N584 VanDerWaalsContact CB-OD1 3.23Å; N562-N584 WeakPolarHBondContact CB-OD1 3.26Å; N562-N584 PolarHBondContact O-OD1 3.07Å; N562-N584 VanDerWaalsContact O-OD1 3.11Å
563N77.5Confident83.4Confident19 Ų1929.7 Ų29.710%0.10216%0.16CC..  trans-116.535.7-178.9-68.34000110.9K442 L542 F543 N584K442-N563 PolarHBondContact NZ-OD1 2.84Å; L542-N563 CarbonylContact O-C 3.59Å; L542-N563 VanDerWaalsContact O-CA 3.28Å; L542-N563 WeakPolarHBondContact O-CA 3.35Å; L542-N563 PolarHBondContact O-N 3.13Å; F543-N563 HydrophobicContact CD1-CB 3.34Å; F543-N563 HydrophobicContact CE1-CB 3.41Å; F543-N563 VanDerWaalsContact CE1-CB 3.41Å; F543-N563 HydrophobicContact CG-CB 4.47Å; N563-N584 PolarHBondContact N-OD1 3.44Å
564I83.4Confident83.4Confident0 Ų031.5 Ų31.50%017%0.169CC..  trans-74.7130.7-178-58.1164.1000109.1L542 L545 F559 N562 K566 I581 N584 C585 I586L542-I564 HydrophobicContact CB-CG1 4.4Å; L542-I564 PolarHBondContact O-N 2.79Å; L545-I564 HydrophobicContact CD2-CD1 3.72Å; L545-I564 HydrophobicContact CG-CD1 4.14Å; F559-I564 HydrophobicContact CB-CD1 3.88Å; F559-I564 HydrophobicContact CG-CD1 4.41Å; N562-I564 HydrophobicContact CB-CD1 4.03Å; N562-I564 HydrophobicContact CB-CG1 4.01Å; I564-K566 WeakPolarHBondContact CG2-O 3.46Å; I564-I581 HydrophobicContact CD1-CG2 4.48Å; I564-N584 VanDerWaalsContact CB-OD1 3.27Å; I564-N584 WeakPolarHBondContact CB-OD1 3.36Å; I564-N584 WeakPolarHBondContact CG1-OD1 3.36Å; I564-N584 PolarHBondContact N-OD1 2.63Å; I564-C585 CarbonylContact O-C 3.42Å; I564-C585 VanDerWaalsContact O-C 3.32Å; I564-C585 WeakPolarHBondContact O-CA 3.32Å; I564-C585 PolarHBondContact O-N 2.84Å; I564-I586 PolarHBondContact O-N 3.29Å
565S80.8Confident83.4Confident42 Ų4236 Ų3629%0.29419%0.189SC..  trans-109.2-20.6178.360.50000114.8C585S565-C585 WeakPolarHBondContact CA-O 3.27Å
566K81.4Confident83.5Confident152 Ų15231.7 Ų31.766%0.66117%0.173SC*.  trans-137.4137.7-179.3-66.1-172.8177.9-174.20110.7I564 S568I564-K566 WeakPolarHBondContact CG2-O 3.46Å; K566-S568 VanDerWaalsContact C-N 3.28Å; K566-S568 PolarHBondContact O-N 2.79Å; K566-S568 VanDerWaalsContact O-N 3.16Å
567L79.8Confident83.5Confident2 Ų233.5 Ų33.51%0.0118%0.182CC..  trans-8856.3178.4-61.7177.4000111.7I581 I586 G591 L592L567-I581 HydrophobicContact CD2-CD1 3.25Å; L567-I586 HydrophobicContact CD1-CD1 4.35Å; L567-I586 HydrophobicContact CD1-CG2 4.43Å; L567-I586 HydrophobicContact CD2-CD1 3.69Å; L567-I586 HydrophobicContact CD2-CG1 4.42Å; L567-I586 HydrophobicContact CG-CD1 4.12Å; L567-I586 HydrophobicContact CG-CG2 4.46Å; L567-G591 WeakPolarHBondContact O-CA 3.31Å; L567-L592 HydrophobicContact CD1-CD1 3.8Å; L567-L592 HydrophobicContact CD1-CD2 4.08Å; L567-L592 HydrophobicContact CD1-CG 3.8Å
568S79.8Confident83.6Confident57 Ų5733.8 Ų33.840%0.39918%0.183SC..  trans-92140.9176.357.90000111.5K566K566-S568 VanDerWaalsContact C-N 3.28Å; K566-S568 PolarHBondContact O-N 2.79Å; K566-S568 VanDerWaalsContact O-N 3.16Å
569G74.6Confident83.7Confident26 Ų2633.9 Ų33.927%0.26818%0.183SC..SBendtrans97.64.4170.300000115.6
570L81.1Confident83.8Confident0 Ų034 Ų340%018%0.184CC..  trans-93.7-4.7170-66.2174000112.7L545 L548 T572 C573 L579 L595L545-L570 HydrophobicContact CD1-CD1 4.04Å; L545-L570 HydrophobicContact CD1-CG 4.14Å; L548-L570 HydrophobicContact CD1-CD2 3.67Å; L570-T572 PolarHBondContact O-N 2.72Å; L570-C573 WeakPolarHBondContact O-CB 3.47Å; L570-C573 PolarHBondContact O-N 2.76Å; L570-L579 HydrophobicContact CD1-CD1 4.24Å; L570-L579 HydrophobicContact CD1-CD2 3.86Å; L570-L595 WeakPolarHBondContact O-CD2 3.39Å
571D80.3Confident84Confident56 Ų5633.7 Ų33.730%0.29918%0.182SC..THydrogen-bonded Turntrans-57.3-23.6-173.6-58.5-80.4000114.8K594D571-K594 HydrophobicContact CB-CD 4.02Å
572T80.3Confident84.3Confident57 Ų5734.1 Ų34.135%0.3518%0.182SC..THydrogen-bonded Turntrans-93.2-9.9-178.256.60000113.2S549 L570 L574S549-T572 WeakPolarHBondContact CA-OG1 3.35Å; S549-T572 WeakPolarHBondContact O-CB 3.22Å; S549-T572 PolarHBondContact O-OG1 3.34Å; L570-T572 PolarHBondContact O-N 2.72Å; T572-L574 VanDerWaalsContact C-N 3.3Å; T572-L574 PolarHBondContact O-N 3.27Å
573C84Confident84.3Confident0 Ų037.5 Ų37.50%020%0.2CC..  trans-86.262.2-175.7-61.20000111.5L554 L570 K575 L576 L595L554-C573 HydrophobicContact CB-CB 4.48Å; L570-C573 WeakPolarHBondContact O-CB 3.47Å; L570-C573 PolarHBondContact O-N 2.76Å; C573-K575 PolarHBondContact O-N 3.46Å; C573-L576 HydrophobicContact CB-CB 4.44Å; C573-L576 WeakPolarHBondContact O-CB 3.28Å; C573-L576 PolarHBondContact O-N 2.84Å; C573-L576 VanDerWaalsContact O-N 3.12Å; C573-L595 HydrophobicContact CB-CD2 4.4Å; C573-L595 WeakPolarHBondContact O-CD2 3.21Å
574L85.1Confident84.7Confident94 Ų9436.8 Ų36.849%0.49220%0.196SC..THydrogen-bonded Turntrans-62.2-19.6-170.6-58.8176.2000115T572 K594 C597T572-L574 VanDerWaalsContact C-N 3.3Å; T572-L574 PolarHBondContact O-N 3.27Å; L574-K594 WeakPolarHBondContact CD2-O 3.42Å; L574-C597 PolarHBondContact O-SG 3.08Å; L574-C597 VanDerWaalsContact O-SG 3.41Å
575K86.4Confident84.7Confident96 Ų9638.3 Ų38.342%0.41721%0.206SC..THydrogen-bonded Turntrans-94.56.9-179.6-65.6-174-177.2171.80113.9N553 L554 C573 E577N553-K575 PolarHBondContact OD1-NZ 3.04Å; L554-K575 CarbonylContact O-C 3.58Å; C573-K575 PolarHBondContact O-N 3.46Å; K575-E577 PolarHBondContact O-N 2.71Å
576L88.7Confident85Confident0 Ų036.3 Ų36.30%019%0.192CC..  trans-66.4122.2-177.4-16671.1000110.7L554 A557 C573 L579 L595 C597 L598L554-L576 HydrophobicContact CD2-CD1 4.01Å; L554-L576 HydrophobicContact CG-CD1 3.87Å; L554-L576 WeakPolarHBondContact O-CA 3.29Å; L554-L576 PolarHBondContact O-N 3.4Å; L554-L576 VanDerWaalsContact O-N 3.15Å; A557-L576 HydrophobicContact CB-CD1 3.94Å; C573-L576 HydrophobicContact CB-CB 4.44Å; C573-L576 WeakPolarHBondContact O-CB 3.28Å; C573-L576 PolarHBondContact O-N 2.84Å; C573-L576 VanDerWaalsContact O-N 3.12Å; L576-L579 HydrophobicContact CD2-CB 4.03Å; L576-L579 HydrophobicContact CD2-CD1 4.25Å; L576-L579 HydrophobicContact CD2-CD2 4.14Å; L576-L579 HydrophobicContact CD2-CG 4.37Å; L576-L595 HydrophobicContact CB-CD2 4.33Å; L576-L595 HydrophobicContact CD2-CD1 4.07Å; L576-C597 CarbonylContact O-C 3.59Å; L576-L598 HydrophobicContact CD2-CD1 4.22Å; L576-L598 HydrophobicContact CG-CD1 4.2Å; L576-L598 VanDerWaalsContact O-CA 3.28Å; L576-L598 WeakPolarHBondContact O-CA 3.46Å; L576-L598 PolarHBondContact O-N 3.2Å; L576-L598 VanDerWaalsContact O-N 3.16Å
577E89.5Confident85.1Confident45 Ų4532.8 Ų32.821%0.2119%0.187CC..  trans-104.1-37.2-178-65.2175.1-161.100111.8R555 K575 R599 K600R555-E577 IonicContact CZ-OE1 3.77Å; R555-E577 IonicContact NH1-OE1 2.89Å; R555-E577 PolarHBondContact NH1-OE1 3.36Å; R555-E577 PolarHBondContact O-N 2.84Å; K575-E577 PolarHBondContact O-N 2.71Å; E577-R599 WeakPolarHBondContact O-CA 3.29Å; E577-R599 PolarHBondContact O-N 2.66Å; E577-K600 PolarHBondContact O-N 2.97Å
578E90.4Very high85.4Confident7 Ų734.2 Ų34.23%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-132.4131.3179.2-173.9171.4174.400111.5S505 T506 R555 A557 K600S505-E578 WeakPolarHBondContact CA-OE1 3.44Å; T506-E578 WeakPolarHBondContact CB-OE2 3.49Å; T506-E578 PolarHBondContact N-OE1 2.88Å; T506-E578 PolarHBondContact N-OE2 3.37Å; T506-E578 PolarHBondContact OG1-OE2 2.81Å; R555-E578 PolarHBondContact O-N 3.05Å; R555-E578 VanDerWaalsContact O-N 3.08Å; A557-E578 PolarHBondContact N-O 3.39Å; E578-K600 WeakPolarHBondContact CA-O 3.3Å; E578-K600 HydrophobicContact CB-CB 4.37Å; E578-K600 HydrophobicContact CG-CB 3.98Å; E578-K600 HydrophobicContact CG-CD 4.06Å; E578-K600 HydrophobicContact CG-CG 4.02Å; E578-K600 WeakPolarHBondContact OE1-CD 3.34Å; E578-K600 WeakPolarHBondContact OE1-CE 3.45Å; E578-K600 IonicContact OE1-NZ 3.85Å; E578-K600 PolarHBondContact OE1-NZ 3.47Å
579L91.5Very high85.5Confident1 Ų131.5 Ų31.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-132.9117.8176.4-177.659.1000110.3A557 F559 L570 L576 I581 L592 L598 K600 L601 S602A557-L579 HydrophobicContact CB-CD1 3.94Å; A557-L579 WeakPolarHBondContact O-CA 3.47Å; F559-L579 HydrophobicContact CD2-CD1 3.99Å; F559-L579 HydrophobicContact CE2-CD1 4.06Å; L570-L579 HydrophobicContact CD1-CD1 4.24Å; L570-L579 HydrophobicContact CD1-CD2 3.86Å; L576-L579 HydrophobicContact CD2-CB 4.03Å; L576-L579 HydrophobicContact CD2-CD1 4.25Å; L576-L579 HydrophobicContact CD2-CD2 4.14Å; L576-L579 HydrophobicContact CD2-CG 4.37Å; L579-I581 HydrophobicContact CD1-CD1 3.82Å; L579-I581 HydrophobicContact CD1-CG1 3.85Å; L579-I581 HydrophobicContact CD2-CD1 3.82Å; L579-I581 HydrophobicContact CD2-CG1 4.47Å; L579-I581 HydrophobicContact CG-CD1 3.75Å; L579-I581 HydrophobicContact CG-CG1 3.86Å; L579-L592 HydrophobicContact CD2-CD2 3.56Å; L579-L598 HydrophobicContact CB-CD1 3.84Å; L579-K600 PolarHBondContact N-O 2.95Å; L579-L601 HydrophobicContact CB-CD1 4.1Å; L579-L601 HydrophobicContact CD2-CD1 4.13Å; L579-L601 HydrophobicContact CG-CD1 4.23Å; L579-L601 WeakPolarHBondContact O-CA 3.29Å; L579-S602 PolarHBondContact O-N 3.19Å
580S91.9Very high85.8Confident2 Ų235.3 Ų35.31%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-112.7120.5175.6-170.90000110.1A557 F559 N560A557-S580 PolarHBondContact O-N 3.31Å; F559-S580 PolarHBondContact N-O 2.93Å; N560-S580 VanDerWaalsContact CG-OG 3.32Å; N560-S580 PolarHBondContact ND2-OG 2.96Å; N560-S580 VanDerWaalsContact ND2-OG 3.14Å; N560-S580 VanDerWaalsContact OD1-C 3.26Å; N560-S580 WeakPolarHBondContact OD1-CB 3.48Å; N560-S580 PolarHBondContact OD1-O 2.73Å; N560-S580 PolarHBondContact OD1-OG 3.41Å
581I90.4Very high85.5Confident0 Ų036.2 Ų36.20%020%0.201CC..  trans-138.154.2179.2-42.8176000109.3F559 N560 I564 L567 L579 N584 I586 S602 N606F559-I581 HydrophobicContact CB-CG1 4.43Å; F559-I581 HydrophobicContact CB-CG2 4.34Å; F559-I581 HydrophobicContact CD2-CG1 4.36Å; N560-I581 PolarHBondContact OD1-N 3.44Å; I564-I581 HydrophobicContact CD1-CG2 4.48Å; L567-I581 HydrophobicContact CD2-CD1 3.25Å; L579-I581 HydrophobicContact CD1-CD1 3.82Å; L579-I581 HydrophobicContact CD1-CG1 3.85Å; L579-I581 HydrophobicContact CD2-CD1 3.82Å; L579-I581 HydrophobicContact CD2-CG1 4.47Å; L579-I581 HydrophobicContact CG-CD1 3.75Å; L579-I581 HydrophobicContact CG-CG1 3.86Å; I581-N584 HydrophobicContact CG2-CB 4.01Å; I581-N584 VanDerWaalsContact CG2-ND2 3.32Å; I581-N584 WeakPolarHBondContact CG2-ND2 3.43Å; I581-I586 HydrophobicContact CB-CD1 4.14Å; I581-I586 HydrophobicContact CD1-CD1 4.47Å; I581-I586 HydrophobicContact CG2-CD1 3.57Å; I581-S602 PolarHBondContact N-O 3.35Å; I581-N606 PolarHBondContact O-ND2 3.32Å
582K88.5Confident85.6Confident61 Ų6133.6 Ų33.627%0.26519%0.187SC..  trans-71.4152.7178.2-56.4-173.8-173.6-126.60110.8N560 D561 N584 D604N560-K582 WeakPolarHBondContact CA-O 3.22Å; N560-K582 HydrophobicContact CB-CB 4.39Å; N560-K582 PolarHBondContact OD1-N 3.01Å; D561-K582 PolarHBondContact N-O 2.96Å; K582-N584 PolarHBondContact O-N 2.83Å; K582-N584 PolarHBondContact O-ND2 2.79Å; K582-D604 CarbonylContact C-O 3.42Å; K582-D604 VanDerWaalsContact CA-O 3.28Å; K582-D604 WeakPolarHBondContact CA-O 3.2Å; K582-D604 HydrophobicContact CB-CB 4.42Å; K582-D604 HydrophobicContact CD-CB 4.38Å; K582-D604 WeakPolarHBondContact CD-OD2 3.15Å; K582-D604 WeakPolarHBondContact CE-OD2 3.15Å; K582-D604 HydrophobicContact CG-CB 4.11Å; K582-D604 IonicContact NZ-OD2 3.87Å; K582-D604 PolarHBondContact NZ-OD2 3.21Å
583N84.3Confident85.6Confident71 Ų7132.1 Ų32.138%0.3818%0.181SC..SBendtrans52.156.6173.9-61.8-23.9000113.3K442 D561 N562 D604 G605K442-N583 WeakPolarHBondContact CE-O 3.3Å; K442-N583 PolarHBondContact NZ-O 2.89Å; D561-N583 WeakPolarHBondContact OD1-CB 3.29Å; D561-N583 PolarHBondContact OD1-ND2 3.11Å; N562-N583 VanDerWaalsContact O-O 3.07Å; N583-D604 PolarHBondContact N-O 2.75Å; N583-G605 WeakPolarHBondContact CA-O 3.45Å
584N86.4Confident85.4Confident4 Ų438.4 Ų38.42%0.02121%0.208CC..SBendtrans-123.2-167.8178.4-88.2-90000110.4F559 N562 N563 I564 I581 K582 I586 G605 N606F559-N584 PolarHBondContact O-ND2 3.23Å; N562-N584 WeakPolarHBondContact CA-OD1 3.41Å; N562-N584 VanDerWaalsContact CB-OD1 3.23Å; N562-N584 WeakPolarHBondContact CB-OD1 3.26Å; N562-N584 PolarHBondContact O-OD1 3.07Å; N562-N584 VanDerWaalsContact O-OD1 3.11Å; N563-N584 PolarHBondContact N-OD1 3.44Å; I564-N584 VanDerWaalsContact CB-OD1 3.27Å; I564-N584 WeakPolarHBondContact CB-OD1 3.36Å; I564-N584 WeakPolarHBondContact CG1-OD1 3.36Å; I564-N584 PolarHBondContact N-OD1 2.63Å; I581-N584 HydrophobicContact CG2-CB 4.01Å; I581-N584 VanDerWaalsContact CG2-ND2 3.32Å; I581-N584 WeakPolarHBondContact CG2-ND2 3.43Å; K582-N584 PolarHBondContact O-N 2.83Å; K582-N584 PolarHBondContact O-ND2 2.79Å; N584-I586 HydrophobicContact CB-CD1 4.26Å; N584-I586 HydrophobicContact CB-CG1 4.27Å; N584-G605 PolarHBondContact N-O 3.19Å; N584-N606 WeakPolarHBondContact CA-OD1 3.32Å; N584-N606 WeakPolarHBondContact CB-OD1 3.3Å; N584-N606 PolarHBondContact O-OD1 3.4Å
585C83Confident85.3Confident31 Ų3133.9 Ų33.921%0.20919%0.185CC..  trans-116.233.1-178.9-57.80000112I564 S565 N606I564-C585 CarbonylContact O-C 3.42Å; I564-C585 VanDerWaalsContact O-C 3.32Å; I564-C585 WeakPolarHBondContact O-CA 3.32Å; I564-C585 PolarHBondContact O-N 2.84Å; S565-C585 WeakPolarHBondContact CA-O 3.27Å; C585-N606 PolarHBondContact N-OD1 3.09Å
586I87Confident85.2Confident0 Ų032.1 Ų32.10%018%0.183CC..  trans-75.6132.9-175-60.6164.2000109.9I564 L567 I581 N584 S588 I603 N606 N607 L608I564-I586 PolarHBondContact O-N 3.29Å; L567-I586 HydrophobicContact CD1-CD1 4.35Å; L567-I586 HydrophobicContact CD1-CG2 4.43Å; L567-I586 HydrophobicContact CD2-CD1 3.69Å; L567-I586 HydrophobicContact CD2-CG1 4.42Å; L567-I586 HydrophobicContact CG-CD1 4.12Å; L567-I586 HydrophobicContact CG-CG2 4.46Å; I581-I586 HydrophobicContact CB-CD1 4.14Å; I581-I586 HydrophobicContact CD1-CD1 4.47Å; I581-I586 HydrophobicContact CG2-CD1 3.57Å; N584-I586 HydrophobicContact CB-CD1 4.26Å; N584-I586 HydrophobicContact CB-CG1 4.27Å; I586-S588 VanDerWaalsContact CG2-O 3.25Å; I586-S588 WeakPolarHBondContact CG2-O 3.39Å; I586-I603 HydrophobicContact CD1-CG2 4.19Å; I586-N606 HydrophobicContact CB-CB 4.34Å; I586-N606 VanDerWaalsContact CB-OD1 3.3Å; I586-N606 WeakPolarHBondContact CB-OD1 3.27Å; I586-N606 WeakPolarHBondContact CG1-OD1 3.27Å; I586-N606 PolarHBondContact N-OD1 2.62Å; I586-N607 CarbonylContact O-C 3.6Å; I586-N607 WeakPolarHBondContact O-CA 3.47Å; I586-N607 PolarHBondContact O-N 3.14Å; I586-L608 HydrophobicContact CG2-CD2 4.23Å
587S84.4Confident85.1Confident79 Ų7934.6 Ų34.655%0.55220%0.2SC*.  trans-114.5-13.8179.157.90000114.7
588S85Confident85.1Confident31 Ų3132.4 Ų32.422%0.21719%0.19CC..  trans-149.8152.4175.51690000110.9I586 N590 D612I586-S588 VanDerWaalsContact CG2-O 3.25Å; I586-S588 WeakPolarHBondContact CG2-O 3.39Å; S588-N590 VanDerWaalsContact C-N 3.28Å; S588-N590 PolarHBondContact O-N 3.36Å; S588-N590 PolarHBondContact OG-N 3.37Å; S588-N590 PolarHBondContact OG-ND2 3.43Å; S588-D612 PolarHBondContact OG-OD2 3.21Å
589L83.2Confident85.1Confident1 Ų138.3 Ų38.31%0.00521%0.212CC..  trans-84.72.6-179.4-58.8-180000113.6G591 L592 I603 L608 L611 V615 L616 F625L589-G591 PolarHBondContact O-N 3.18Å; L589-L592 HydrophobicContact CD2-CD1 4.43Å; L589-L592 PolarHBondContact O-N 3.29Å; L589-I603 HydrophobicContact CD2-CD1 3.25Å; L589-L608 HydrophobicContact CD2-CD1 3.92Å; L589-L608 HydrophobicContact CD2-CD2 4.06Å; L589-L608 HydrophobicContact CG-CD2 4.27Å; L589-L611 HydrophobicContact CD1-CD2 4.33Å; L589-V615 HydrophobicContact CB-CB 4.5Å; L589-V615 HydrophobicContact CB-CG1 4.13Å; L589-L616 HydrophobicContact CD1-CD2 4.22Å; L589-L616 HydrophobicContact CD1-CG 4.39Å; L589-F625 HydrophobicContact CD1-CZ 4.42Å
590N81Confident85.1Confident105 Ų10540 Ų4056%0.56122%0.219SC*.THydrogen-bonded Turntrans-55.8125.6178.4-74.3-32.1000111.7S588S588-N590 VanDerWaalsContact C-N 3.28Å; S588-N590 PolarHBondContact O-N 3.36Å; S588-N590 PolarHBondContact OG-N 3.37Å; S588-N590 PolarHBondContact OG-ND2 3.43Å
591G75.1Confident85.1Confident19 Ų1939.9 Ų39.920%0.19622%0.218CC..THydrogen-bonded Turntrans115.4-14.1-175.500000114.6L567 L589L567-G591 WeakPolarHBondContact O-CA 3.31Å; L589-G591 PolarHBondContact O-N 3.18Å
592L82.1Confident85.2Confident1 Ų140.3 Ų40.31%0.00522%0.221CC..  trans-88.6-12.3175-62.3177.2000113.9L567 L579 L589 K594 L595 L601 I603 V615 L619L567-L592 HydrophobicContact CD1-CD1 3.8Å; L567-L592 HydrophobicContact CD1-CD2 4.08Å; L567-L592 HydrophobicContact CD1-CG 3.8Å; L579-L592 HydrophobicContact CD2-CD2 3.56Å; L589-L592 HydrophobicContact CD2-CD1 4.43Å; L589-L592 PolarHBondContact O-N 3.29Å; L592-K594 PolarHBondContact O-N 3.44Å; L592-L595 HydrophobicContact CB-CD1 4.49Å; L592-L595 HydrophobicContact CD2-CD1 3.65Å; L592-L595 WeakPolarHBondContact O-CB 3.44Å; L592-L595 PolarHBondContact O-N 2.82Å; L592-L595 VanDerWaalsContact O-N 3.11Å; L592-L601 HydrophobicContact CD1-CD1 4.23Å; L592-L601 HydrophobicContact CD1-CD2 3.81Å; L592-I603 HydrophobicContact CD1-CD1 4.33Å; L592-V615 HydrophobicContact CB-CG1 4.08Å; L592-L619 WeakPolarHBondContact O-CD2 3.48Å
593A80.1Confident85.3Confident26 Ų2637.4 Ų37.422%0.21521%0.208CC..THydrogen-bonded Turntrans-58.7-23.7-171.600000114.3V615 Q618A593-V615 HydrophobicContact CB-CG1 4.36Å; A593-Q618 HydrophobicContact CB-CB 4.49Å; A593-Q618 WeakPolarHBondContact O-CB 3.1Å; A593-Q618 PolarHBondContact O-OE1 2.89Å
594K79.6Confident85.6Confident132 Ų13234.4 Ų34.457%0.57419%0.192SC*.THydrogen-bonded Turntrans-93.713.7-178.3-66.2178.7178176.10114.3D571 L574 L592 P596D571-K594 HydrophobicContact CB-CD 4.02Å; L574-K594 WeakPolarHBondContact CD2-O 3.42Å; L592-K594 PolarHBondContact O-N 3.44Å; K594-P596 WeakPolarHBondContact O-CD 3.41Å
595L83.9Confident85.5Confident0 Ų035.2 Ų35.20%020%0.201CC..  trans-109.478.8-175.1-62.2175000112.3L570 C573 L576 L592 C597 L598 L619L570-L595 WeakPolarHBondContact O-CD2 3.39Å; C573-L595 HydrophobicContact CB-CD2 4.4Å; C573-L595 WeakPolarHBondContact O-CD2 3.21Å; L576-L595 HydrophobicContact CB-CD2 4.33Å; L576-L595 HydrophobicContact CD2-CD1 4.07Å; L592-L595 HydrophobicContact CB-CD1 4.49Å; L592-L595 HydrophobicContact CD2-CD1 3.65Å; L592-L595 WeakPolarHBondContact O-CB 3.44Å; L592-L595 PolarHBondContact O-N 2.82Å; L592-L595 VanDerWaalsContact O-N 3.11Å; L595-C597 VanDerWaalsContact C-N 3.29Å; L595-C597 PolarHBondContact O-N 3.45Å; L595-L598 HydrophobicContact CB-CB 4.32Å; L595-L598 PolarHBondContact O-N 3.25Å; L595-L619 HydrophobicContact CB-CD2 4.27Å; L595-L619 WeakPolarHBondContact O-CD2 3.31Å
596P83.7Confident85.8Confident58 Ų5833.9 Ų33.938%0.37719%0.192SC..THydrogen-bonded Turntrans-69.2-24.4-170.728.5-36.9000114.4K594 S621K594-P596 WeakPolarHBondContact O-CD 3.41Å; P596-S621 WeakPolarHBondContact O-CB 3.38Å; P596-S621 PolarHBondContact O-OG 2.9Å
597C86.5Confident85.7Confident52 Ų5236.6 Ų36.635%0.35121%0.207SC..THydrogen-bonded Turntrans-91.60.7-175-65.20000113.9L574 L576 L595 R599L574-C597 PolarHBondContact O-SG 3.08Å; L574-C597 VanDerWaalsContact O-SG 3.41Å; L576-C597 CarbonylContact O-C 3.59Å; L595-C597 VanDerWaalsContact C-N 3.29Å; L595-C597 PolarHBondContact O-N 3.45Å; C597-R599 PolarHBondContact O-N 2.98Å
598L89.8Confident85.9Confident0 Ų032.9 Ų32.90%018%0.181CC..  trans-68.8117.4-174.2-167.668.9000110.4L576 L579 L595 L601 L619 S621 L622L576-L598 HydrophobicContact CD2-CD1 4.22Å; L576-L598 HydrophobicContact CG-CD1 4.2Å; L576-L598 VanDerWaalsContact O-CA 3.28Å; L576-L598 WeakPolarHBondContact O-CA 3.46Å; L576-L598 PolarHBondContact O-N 3.2Å; L576-L598 VanDerWaalsContact O-N 3.16Å; L579-L598 HydrophobicContact CB-CD1 3.84Å; L595-L598 HydrophobicContact CB-CB 4.32Å; L595-L598 PolarHBondContact O-N 3.25Å; L598-L601 HydrophobicContact CD2-CB 4.17Å; L598-L601 HydrophobicContact CD2-CD1 4.21Å; L598-L601 HydrophobicContact CD2-CD2 4.12Å; L598-L601 HydrophobicContact CD2-CG 4.41Å; L598-L619 HydrophobicContact CB-CD2 4.33Å; L598-L619 HydrophobicContact CD2-CD1 4.42Å; L598-L619 HydrophobicContact CD2-CD2 4.43Å; L598-S621 CarbonylContact O-C 3.51Å; L598-S621 VanDerWaalsContact O-C 3.27Å; L598-L622 WeakPolarHBondContact O-CA 3.19Å; L598-L622 PolarHBondContact O-N 3.27Å
599R90.6Very high85.9Confident131 Ų13138.7 Ų38.749%0.49420%0.202SC..  trans-103.8-36.9-177.6-65.8-177.5-176.3-81.1-0.8112.9E577 C597 S621 T623 H624E577-R599 WeakPolarHBondContact O-CA 3.29Å; E577-R599 PolarHBondContact O-N 2.66Å; C597-R599 PolarHBondContact O-N 2.98Å; R599-S621 WeakPolarHBondContact CA-O 3.3Å; R599-T623 PolarHBondContact O-N 2.85Å; R599-T623 PolarHBondContact O-OG1 2.93Å; R599-H624 PolarHBondContact O-N 2.94Å
600K91Very high86Confident36 Ų3641.5 Ų41.516%0.15722%0.222CC..EExtended strand (participates in β ladder)trans-128.3125.5-178.6178.6171.4173.4-149.10110.2E577 E578 L579 H624E577-K600 PolarHBondContact O-N 2.97Å; E578-K600 WeakPolarHBondContact CA-O 3.3Å; E578-K600 HydrophobicContact CB-CB 4.37Å; E578-K600 HydrophobicContact CG-CB 3.98Å; E578-K600 HydrophobicContact CG-CD 4.06Å; E578-K600 HydrophobicContact CG-CG 4.02Å; E578-K600 WeakPolarHBondContact OE1-CD 3.34Å; E578-K600 WeakPolarHBondContact OE1-CE 3.45Å; E578-K600 IonicContact OE1-NZ 3.85Å; E578-K600 PolarHBondContact OE1-NZ 3.47Å; L579-K600 PolarHBondContact N-O 2.95Å; K600-H624 WeakPolarHBondContact CA-O 3.45Å; K600-H624 HydrophobicContact CB-CB 4.09Å; K600-H624 HydrophobicContact CD-CB 4.42Å; K600-H624 HydrophobicContact CG-CB 3.89Å
601L92.1Very high86.1Confident0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-132.4121.7-179.2179.357.3000109.7L579 L592 L598 I603 L622 H624 F625 S626L579-L601 HydrophobicContact CB-CD1 4.1Å; L579-L601 HydrophobicContact CD2-CD1 4.13Å; L579-L601 HydrophobicContact CG-CD1 4.23Å; L579-L601 WeakPolarHBondContact O-CA 3.29Å; L592-L601 HydrophobicContact CD1-CD1 4.23Å; L592-L601 HydrophobicContact CD1-CD2 3.81Å; L598-L601 HydrophobicContact CD2-CB 4.17Å; L598-L601 HydrophobicContact CD2-CD1 4.21Å; L598-L601 HydrophobicContact CD2-CD2 4.12Å; L598-L601 HydrophobicContact CD2-CG 4.41Å; L601-I603 HydrophobicContact CD1-CD1 3.79Å; L601-I603 HydrophobicContact CD1-CG1 3.76Å; L601-I603 HydrophobicContact CD2-CD1 3.87Å; L601-I603 HydrophobicContact CG-CD1 3.8Å; L601-I603 HydrophobicContact CG-CG1 3.89Å; L601-L622 HydrophobicContact CB-CD1 3.75Å; L601-H624 PolarHBondContact N-O 3.5Å; L601-F625 HydrophobicContact CB-CD2 4.07Å; L601-F625 HydrophobicContact CD2-CD2 4Å; L601-F625 HydrophobicContact CD2-CE2 3.7Å; L601-F625 HydrophobicContact CG-CD2 4.06Å; L601-F625 HydrophobicContact CG-CE2 4.03Å; L601-F625 WeakPolarHBondContact O-CA 3.36Å; L601-S626 PolarHBondContact O-N 3.44Å
602S92.6Very high86.1Confident8 Ų837.8 Ų37.86%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-121.2118.2176.1-57.20000110.4L579 I581L579-S602 PolarHBondContact O-N 3.19Å; I581-S602 PolarHBondContact N-O 3.35Å
603I91.1Very high85.4Confident0 Ų040.5 Ų40.50%022%0.216CC..  trans-130.441.1-178-46.1176.9000109.2I586 L589 L592 L601 N606 L608 F625 S626 N630I586-I603 HydrophobicContact CD1-CG2 4.19Å; L589-I603 HydrophobicContact CD2-CD1 3.25Å; L592-I603 HydrophobicContact CD1-CD1 4.33Å; L601-I603 HydrophobicContact CD1-CD1 3.79Å; L601-I603 HydrophobicContact CD1-CG1 3.76Å; L601-I603 HydrophobicContact CD2-CD1 3.87Å; L601-I603 HydrophobicContact CG-CD1 3.8Å; L601-I603 HydrophobicContact CG-CG1 3.89Å; I603-N606 HydrophobicContact CG2-CB 4.03Å; I603-N606 WeakPolarHBondContact CG2-ND2 3.43Å; I603-N606 PolarHBondContact O-ND2 3.47Å; I603-L608 HydrophobicContact CB-CD1 4.43Å; I603-L608 HydrophobicContact CG2-CD1 3.94Å; I603-F625 HydrophobicContact CD1-CE2 4.49Å; I603-S626 PolarHBondContact N-O 3.29Å; I603-N630 PolarHBondContact O-ND2 3.15Å
604D90.1Very high85.2Confident8 Ų843.1 Ų43.14%0.04323%0.23CC..  trans-69.4150-178.1-47.4-44.4000110.9K582 N583 N606 S626 V627 E628K582-D604 CarbonylContact C-O 3.42Å; K582-D604 VanDerWaalsContact CA-O 3.28Å; K582-D604 WeakPolarHBondContact CA-O 3.2Å; K582-D604 HydrophobicContact CB-CB 4.42Å; K582-D604 HydrophobicContact CD-CB 4.38Å; K582-D604 WeakPolarHBondContact CD-OD2 3.15Å; K582-D604 WeakPolarHBondContact CE-OD2 3.15Å; K582-D604 HydrophobicContact CG-CB 4.11Å; K582-D604 IonicContact NZ-OD2 3.87Å; K582-D604 PolarHBondContact NZ-OD2 3.21Å; N583-D604 PolarHBondContact N-O 2.75Å; D604-N606 PolarHBondContact O-N 2.87Å; D604-N606 PolarHBondContact O-ND2 3.35Å; D604-S626 VanDerWaalsContact CG-OG 3.23Å; D604-S626 VanDerWaalsContact OD1-CB 3.25Å; D604-S626 WeakPolarHBondContact OD1-CB 3.41Å; D604-S626 PolarHBondContact OD1-OG 2.81Å; D604-S626 PolarHBondContact OD2-OG 3.01Å; D604-V627 PolarHBondContact OD1-N 3.41Å; D604-E628 CarbonylContact C-O 3.13Å; D604-E628 VanDerWaalsContact CA-O 3.25Å; D604-E628 WeakPolarHBondContact CA-O 3.37Å; D604-E628 HydrophobicContact CB-CB 4.22Å; D604-E628 PolarHBondContact OD1-N 2.97Å
605G84.3Confident85.1Confident21 Ų2137 Ų3722%0.21621%0.205CC..SBendtrans63.243.7174.700000113.4N583 N584 E628 N629N583-G605 WeakPolarHBondContact CA-O 3.45Å; N584-G605 PolarHBondContact N-O 3.19Å; G605-E628 PolarHBondContact N-O 2.91Å; G605-N629 WeakPolarHBondContact CA-O 3.48Å
606N88.5Confident85Confident3 Ų337.2 Ų37.22%0.01621%0.205CC..SBendtrans-120.8-174.1177.7-80.8-86000110.6I581 N584 C585 I586 I603 D604 N630I581-N606 PolarHBondContact O-ND2 3.32Å; N584-N606 WeakPolarHBondContact CA-OD1 3.32Å; N584-N606 WeakPolarHBondContact CB-OD1 3.3Å; N584-N606 PolarHBondContact O-OD1 3.4Å; C585-N606 PolarHBondContact N-OD1 3.09Å; I586-N606 HydrophobicContact CB-CB 4.34Å; I586-N606 VanDerWaalsContact CB-OD1 3.3Å; I586-N606 WeakPolarHBondContact CB-OD1 3.27Å; I586-N606 WeakPolarHBondContact CG1-OD1 3.27Å; I586-N606 PolarHBondContact N-OD1 2.62Å; I603-N606 HydrophobicContact CG2-CB 4.03Å; I603-N606 WeakPolarHBondContact CG2-ND2 3.43Å; I603-N606 PolarHBondContact O-ND2 3.47Å; D604-N606 PolarHBondContact O-N 2.87Å; D604-N606 PolarHBondContact O-ND2 3.35Å; N606-N630 WeakPolarHBondContact CA-OD1 3.37Å; N606-N630 VanDerWaalsContact CB-OD1 3.23Å; N606-N630 WeakPolarHBondContact CB-OD1 3.49Å; N606-N630 PolarHBondContact O-OD1 3.27Å
607N85.8Confident84.9Confident58 Ų5838.8 Ų38.831%0.3121%0.211SC..  trans-109.733.7-174.7-64.9-26.1000112.5I586 K609I586-N607 CarbonylContact O-C 3.6Å; I586-N607 WeakPolarHBondContact O-CA 3.47Å; I586-N607 PolarHBondContact O-N 3.14Å; N607-K609 PolarHBondContact O-N 3.46Å
608L88.2Confident84.6Confident0 Ų041.3 Ų41.30%022%0.217CC..  trans-70.7126.5179.5-64172.2000110.4I586 L589 I603 N630 C631 I632I586-L608 HydrophobicContact CG2-CD2 4.23Å; L589-L608 HydrophobicContact CD2-CD1 3.92Å; L589-L608 HydrophobicContact CD2-CD2 4.06Å; L589-L608 HydrophobicContact CG-CD2 4.27Å; I603-L608 HydrophobicContact CB-CD1 4.43Å; I603-L608 HydrophobicContact CG2-CD1 3.94Å; L608-N630 HydrophobicContact CB-CB 4.27Å; L608-N630 VanDerWaalsContact CB-OD1 3.31Å; L608-N630 WeakPolarHBondContact CB-OD1 3.2Å; L608-N630 WeakPolarHBondContact CG-OD1 3.37Å; L608-N630 PolarHBondContact N-OD1 2.95Å; L608-N630 VanDerWaalsContact N-OD1 3.07Å; L608-C631 CarbonylContact O-C 3.32Å; L608-C631 VanDerWaalsContact O-CA 3.23Å; L608-C631 WeakPolarHBondContact O-CA 3.17Å; L608-C631 WeakPolarHBondContact O-CB 3.44Å; L608-C631 PolarHBondContact O-N 2.98Å; L608-I632 HydrophobicContact CB-CG1 4.26Å; L608-I632 PolarHBondContact O-N 2.87Å
609K85.8Confident84.2Confident154 Ų15441.4 Ų41.467%0.6722%0.218SC*.  trans-96.6-29.6176.2-66.1-173.1178.1-1740113.7N607 C631 I632 T633N607-K609 PolarHBondContact O-N 3.46Å; K609-C631 WeakPolarHBondContact CA-O 3.29Å; K609-C631 HydrophobicContact CG-CB 4.32Å; K609-I632 WeakPolarHBondContact O-CA 3.43Å; K609-T633 PolarHBondContact O-N 3.38Å; K609-T633 PolarHBondContact O-OG1 2.9Å
610S84.9Confident83.8Confident60 Ų6039.4 Ų39.442%0.4222%0.222SC..SBendtrans-144.9154.4-17856.30000110.1
611L81.9Confident83.6Confident10 Ų1039.2 Ų39.25%0.05223%0.225CC..  trans-95.2112.8173.3-64.9173.9000108.6L589 C613 L616 F625 V627 I632 I638L589-L611 HydrophobicContact CD1-CD2 4.33Å; L611-C613 PolarHBondContact O-N 3.29Å; L611-C613 VanDerWaalsContact O-N 3.1Å; L611-L616 HydrophobicContact CB-CD1 4.02Å; L611-F625 HydrophobicContact CD1-CE1 4.47Å; L611-F625 HydrophobicContact CD2-CE1 4.04Å; L611-F625 HydrophobicContact CD2-CZ 4Å; L611-V627 HydrophobicContact CD2-CG1 4.39Å; L611-I632 HydrophobicContact CD1-CD1 4.3Å; L611-I632 HydrophobicContact CD1-CG2 4.26Å; L611-I632 HydrophobicContact CD2-CD1 3.79Å; L611-I632 HydrophobicContact CG-CD1 4.05Å; L611-I632 HydrophobicContact CG-CG1 4.47Å; L611-I632 HydrophobicContact CG-CG2 4.17Å; L611-I638 HydrophobicContact CD1-CD1 3.4Å; L611-I638 VanDerWaalsContact CD1-CD1 3.4Å; L611-I638 HydrophobicContact CD1-CG1 3.41Å; L611-I638 VanDerWaalsContact CD1-CG1 3.41Å
612D75.3Confident83.5Confident36 Ų3639.3 Ų39.319%0.19323%0.226CC..  trans-71.6102.2-174.6-65.5-34.5000110.7S588 V615 L616S588-D612 PolarHBondContact OG-OD2 3.21Å; D612-V615 HydrophobicContact CB-CB 4.43Å; D612-V615 HydrophobicContact CB-CG2 4.13Å; D612-V615 PolarHBondContact O-N 2.98Å; D612-L616 PolarHBondContact O-N 3.01Å
613C67.9Low83.4Confident57 Ų5740.2 Ų40.239%0.38523%0.231SC..Hα-helixtrans-45.8-48.7176.8-48.90000114.4L611 V615 L616 N617 G637L611-C613 PolarHBondContact O-N 3.29Å; L611-C613 VanDerWaalsContact O-N 3.1Å; C613-V615 VanDerWaalsContact C-N 3.25Å; C613-V615 PolarHBondContact O-N 3.38Å; C613-L616 PolarHBondContact O-N 2.92Å; C613-N617 WeakPolarHBondContact O-CB 3.3Å; C613-N617 PolarHBondContact O-N 3.11Å; C613-N617 PolarHBondContact O-ND2 2.96Å; C613-N617 PolarHBondContact O-OD1 2.96Å; C613-N617 VanDerWaalsContact O-OD1 3.08Å; C613-G637 WeakPolarHBondContact SG-CA 3.33Å
614P75.6Confident83.5Confident81 Ų8142.8 Ų42.853%0.52624%0.243SC..Hα-helixtrans-67.1-25.4-173.424.5-33.2000113.6Q618P614-Q618 WeakPolarHBondContact O-CG 3.46Å; P614-Q618 PolarHBondContact O-NE2 2.79Å
615V78.6Confident83.6Confident5 Ų542.5 Ų42.53%0.0324%0.241CC..Hα-helixtrans-78.7-48.1177.3179.90000110.1L589 L592 A593 D612 C613 N617 Q618L589-V615 HydrophobicContact CB-CB 4.5Å; L589-V615 HydrophobicContact CB-CG1 4.13Å; L592-V615 HydrophobicContact CB-CG1 4.08Å; A593-V615 HydrophobicContact CB-CG1 4.36Å; D612-V615 HydrophobicContact CB-CB 4.43Å; D612-V615 HydrophobicContact CB-CG2 4.13Å; D612-V615 PolarHBondContact O-N 2.98Å; C613-V615 VanDerWaalsContact C-N 3.25Å; C613-V615 PolarHBondContact O-N 3.38Å; V615-N617 VanDerWaalsContact C-N 3.3Å; V615-N617 PolarHBondContact O-N 3.34Å; V615-Q618 PolarHBondContact O-N 3.2Å; V615-Q618 VanDerWaalsContact O-N 3.08Å
616L81.5Confident84Confident3 Ų342 Ų422%0.01623%0.234CC..Hα-helixtrans-66.4-32-178.3-68.3174.9000112.4L589 L611 D612 C613 Q618 L619 F625 I638 V641L589-L616 HydrophobicContact CD1-CD2 4.22Å; L589-L616 HydrophobicContact CD1-CG 4.39Å; L611-L616 HydrophobicContact CB-CD1 4.02Å; D612-L616 PolarHBondContact O-N 3.01Å; C613-L616 PolarHBondContact O-N 2.92Å; L616-Q618 PolarHBondContact O-N 3.46Å; L616-L619 HydrophobicContact CD2-CD1 4.32Å; L616-L619 PolarHBondContact O-N 2.97Å; L616-L619 VanDerWaalsContact O-N 3.15Å; L616-F625 HydrophobicContact CD2-CE1 4.47Å; L616-F625 HydrophobicContact CD2-CZ 4.27Å; L616-I638 HydrophobicContact CD1-CG1 4.35Å; L616-V641 HydrophobicContact CB-CG2 3.85Å
617N80.3Confident84.2Confident92 Ų9241.9 Ų41.949%0.49223%0.233SC..THydrogen-bonded Turntrans-58.1-27.8172.3-71.9-1.1000113.4C613 V615 L619 S640C613-N617 WeakPolarHBondContact O-CB 3.3Å; C613-N617 PolarHBondContact O-N 3.11Å; C613-N617 PolarHBondContact O-ND2 2.96Å; C613-N617 PolarHBondContact O-OD1 2.96Å; C613-N617 VanDerWaalsContact O-OD1 3.08Å; V615-N617 VanDerWaalsContact C-N 3.3Å; V615-N617 PolarHBondContact O-N 3.34Å; N617-L619 VanDerWaalsContact C-N 3.32Å; N617-S640 WeakPolarHBondContact OD1-CB 3.29Å; N617-S640 PolarHBondContact OD1-OG 2.83Å
618Q79.9Confident84.5Confident105 Ų10541.7 Ų41.749%0.49123%0.231SC..THydrogen-bonded Turntrans-91.96.6-176.3-62.5179.634.900112.6A593 P614 V615 L616 P620A593-Q618 HydrophobicContact CB-CB 4.49Å; A593-Q618 WeakPolarHBondContact O-CB 3.1Å; A593-Q618 PolarHBondContact O-OE1 2.89Å; P614-Q618 WeakPolarHBondContact O-CG 3.46Å; P614-Q618 PolarHBondContact O-NE2 2.79Å; V615-Q618 PolarHBondContact O-N 3.2Å; V615-Q618 VanDerWaalsContact O-N 3.08Å; L616-Q618 PolarHBondContact O-N 3.46Å; Q618-P620 VanDerWaalsContact C-CD 3.42Å; Q618-P620 WeakPolarHBondContact O-CD 3.41Å
619L83.2Confident84.5Confident2 Ų246.5 Ų46.51%0.0126%0.256CS..  trans-113.172.9178.1-62.5177.5000111.3L592 L595 L598 L616 N617 S621 L622L592-L619 WeakPolarHBondContact O-CD2 3.48Å; L595-L619 HydrophobicContact CB-CD2 4.27Å; L595-L619 WeakPolarHBondContact O-CD2 3.31Å; L598-L619 HydrophobicContact CB-CD2 4.33Å; L598-L619 HydrophobicContact CD2-CD1 4.42Å; L598-L619 HydrophobicContact CD2-CD2 4.43Å; L616-L619 HydrophobicContact CD2-CD1 4.32Å; L616-L619 PolarHBondContact O-N 2.97Å; L616-L619 VanDerWaalsContact O-N 3.15Å; N617-L619 VanDerWaalsContact C-N 3.32Å; L619-S621 PolarHBondContact O-N 3.41Å; L619-L622 HydrophobicContact CB-CB 4.35Å; L619-L622 PolarHBondContact O-N 3.32Å
620P81.9Confident84.8Confident88 Ų8839.6 Ų39.657%0.57123%0.227SC*.THydrogen-bonded Turntrans-72.1-15.5-172.530.6-37.6000114.3Q618 S643Q618-P620 VanDerWaalsContact C-CD 3.42Å; Q618-P620 WeakPolarHBondContact O-CD 3.41Å; P620-S643 VanDerWaalsContact O-CB 3.23Å; P620-S643 WeakPolarHBondContact O-CB 3.36Å; P620-S643 PolarHBondContact O-OG 3.29Å
621S85.4Confident85Confident33 Ų3339 Ų3923%0.23122%0.222CC..THydrogen-bonded Turntrans-98.91.8-175.9-55.60000113.5P596 L598 R599 L619 T623P596-S621 WeakPolarHBondContact O-CB 3.38Å; P596-S621 PolarHBondContact O-OG 2.9Å; L598-S621 CarbonylContact O-C 3.51Å; L598-S621 VanDerWaalsContact O-C 3.27Å; R599-S621 WeakPolarHBondContact CA-O 3.3Å; L619-S621 PolarHBondContact O-N 3.41Å; S621-T623 PolarHBondContact O-N 3.46Å
622L90.4Very high85.4Confident2 Ų238.6 Ų38.61%0.0122%0.22CC..  trans-71.8119.9-172.4-169.369.3000110.3L598 L601 L619 F625 V641 S643 L644L598-L622 WeakPolarHBondContact O-CA 3.19Å; L598-L622 PolarHBondContact O-N 3.27Å; L601-L622 HydrophobicContact CB-CD1 3.75Å; L619-L622 HydrophobicContact CB-CB 4.35Å; L619-L622 PolarHBondContact O-N 3.32Å; L622-F625 HydrophobicContact CD2-CB 4.08Å; L622-F625 HydrophobicContact CD2-CD2 4.24Å; L622-F625 HydrophobicContact CD2-CG 4.12Å; L622-V641 HydrophobicContact CB-CG1 4.16Å; L622-V641 HydrophobicContact CD2-CG1 4.44Å; L622-S643 PolarHBondContact N-OG 2.78Å; L622-S643 CarbonylContact O-C 3.45Å; L622-S643 VanDerWaalsContact O-CB 3.32Å; L622-S643 WeakPolarHBondContact O-CB 3.4Å; L622-S643 PolarHBondContact O-OG 3.14Å; L622-L644 HydrophobicContact CD2-CD1 4.42Å; L622-L644 HydrophobicContact CG-CD1 4.25Å; L622-L644 PolarHBondContact O-N 3.31Å
623T91.6Very high86Confident26 Ų2640.5 Ų40.516%0.1623%0.233CC..  trans-114-33.9-176.552.40000112R599 S621 L645 E646R599-T623 PolarHBondContact O-N 2.85Å; R599-T623 PolarHBondContact O-OG1 2.93Å; S621-T623 PolarHBondContact O-N 3.46Å; T623-L645 HydrophobicContact CG2-CD1 4.29Å; T623-L645 HydrophobicContact CG2-CG 4.48Å; T623-L645 PolarHBondContact O-N 2.76Å; T623-E646 PolarHBondContact O-N 3.3Å
624H92.1Very high86.9Confident55 Ų5539.3 Ų39.326%0.25523%0.225SC..EExtended strand (participates in β ladder)trans-124.1121.2-179.1-58.862.9000108.6R599 K600 L601 E646R599-H624 PolarHBondContact O-N 2.94Å; K600-H624 WeakPolarHBondContact CA-O 3.45Å; K600-H624 HydrophobicContact CB-CB 4.09Å; K600-H624 HydrophobicContact CD-CB 4.42Å; K600-H624 HydrophobicContact CG-CB 3.89Å; L601-H624 PolarHBondContact N-O 3.5Å; H624-E646 IonicContact CD2-OE1 3.45Å; H624-E646 IonicContact CD2-OE2 2.67Å; H624-E646 PolarHBondContact CD2-OE2 3.32Å; H624-E646 IonicContact NE2-OE1 3.89Å; H624-E646 PolarHBondContact NE2-OE1 2.75Å; H624-E646 IonicContact NE2-OE2 2.83Å
625F92.8Very high87.3Confident2 Ų235.5 Ų35.51%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-131.5120.9179.2-172.2-140.9000110.8L589 L601 I603 L611 L616 L622 V627 I638 L644 E646 L647 Y648L589-F625 HydrophobicContact CD1-CZ 4.42Å; L601-F625 HydrophobicContact CB-CD2 4.07Å; L601-F625 HydrophobicContact CD2-CD2 4Å; L601-F625 HydrophobicContact CD2-CE2 3.7Å; L601-F625 HydrophobicContact CG-CD2 4.06Å; L601-F625 HydrophobicContact CG-CE2 4.03Å; L601-F625 WeakPolarHBondContact O-CA 3.36Å; I603-F625 HydrophobicContact CD1-CE2 4.49Å; L611-F625 HydrophobicContact CD1-CE1 4.47Å; L611-F625 HydrophobicContact CD2-CE1 4.04Å; L611-F625 HydrophobicContact CD2-CZ 4Å; L616-F625 HydrophobicContact CD2-CE1 4.47Å; L616-F625 HydrophobicContact CD2-CZ 4.27Å; L622-F625 HydrophobicContact CD2-CB 4.08Å; L622-F625 HydrophobicContact CD2-CD2 4.24Å; L622-F625 HydrophobicContact CD2-CG 4.12Å; F625-V627 HydrophobicContact CD1-CG1 4.31Å; F625-V627 HydrophobicContact CD2-CG1 4.13Å; F625-V627 HydrophobicContact CE1-CG1 3.66Å; F625-V627 HydrophobicContact CE1-CG2 4.42Å; F625-V627 HydrophobicContact CE2-CG1 3.44Å; F625-V627 VanDerWaalsContact CE2-CG1 3.44Å; F625-V627 HydrophobicContact CZ-CG1 3.19Å; F625-I638 HydrophobicContact CD1-CD1 4.29Å; F625-I638 HydrophobicContact CE1-CD1 4.24Å; F625-L644 HydrophobicContact CB-CD1 3.56Å; F625-L644 HydrophobicContact CB-CD2 4.44Å; F625-E646 PolarHBondContact N-O 2.97Å; F625-L647 HydrophobicContact CB-CD1 4.33Å; F625-L647 HydrophobicContact CD1-CD1 3.82Å; F625-L647 HydrophobicContact CG-CD1 4.45Å; F625-L647 WeakPolarHBondContact O-CA 3.28Å; F625-Y648 PolarHBondContact O-N 3.34Å
626S93Very high87.5Confident9 Ų937.8 Ų37.86%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-121121.6-179.1-164.80000109.7L601 I603 D604L601-S626 PolarHBondContact O-N 3.44Å; I603-S626 PolarHBondContact N-O 3.29Å; D604-S626 VanDerWaalsContact CG-OG 3.23Å; D604-S626 VanDerWaalsContact OD1-CB 3.25Å; D604-S626 WeakPolarHBondContact OD1-CB 3.41Å; D604-S626 PolarHBondContact OD1-OG 2.81Å; D604-S626 PolarHBondContact OD2-OG 3.01Å
627V92.4Very high87.3Confident1 Ų137.7 Ų37.71%0.00622%0.217CC..  trans-136.435.9-178.3-69.20000110.9D604 L611 F625 N630 I632 Y648 A649 N652D604-V627 PolarHBondContact OD1-N 3.41Å; L611-V627 HydrophobicContact CD2-CG1 4.39Å; F625-V627 HydrophobicContact CD1-CG1 4.31Å; F625-V627 HydrophobicContact CD2-CG1 4.13Å; F625-V627 HydrophobicContact CE1-CG1 3.66Å; F625-V627 HydrophobicContact CE1-CG2 4.42Å; F625-V627 HydrophobicContact CE2-CG1 3.44Å; F625-V627 VanDerWaalsContact CE2-CG1 3.44Å; F625-V627 HydrophobicContact CZ-CG1 3.19Å; V627-N630 PolarHBondContact O-ND2 3.29Å; V627-I632 HydrophobicContact CB-CD1 3.75Å; V627-I632 HydrophobicContact CG1-CD1 4.4Å; V627-I632 HydrophobicContact CG2-CD1 3.7Å; V627-Y648 WeakPolarHBondContact CG2-O 3.03Å; V627-Y648 PolarHBondContact N-O 3Å; V627-A649 HydrophobicContact CG2-CB 3.97Å; V627-N652 PolarHBondContact O-ND2 3.48Å
628E91.3Very high87.5Confident55 Ų5533.5 Ų33.526%0.25719%0.194SC..  trans-64.5153-179.4-67177.2-169.700111.6D604 G605 N630 Y648 G650D604-E628 CarbonylContact C-O 3.13Å; D604-E628 VanDerWaalsContact CA-O 3.25Å; D604-E628 WeakPolarHBondContact CA-O 3.37Å; D604-E628 HydrophobicContact CB-CB 4.22Å; D604-E628 PolarHBondContact OD1-N 2.97Å; G605-E628 PolarHBondContact N-O 2.91Å; E628-N630 PolarHBondContact O-N 3.43Å; E628-N630 PolarHBondContact O-ND2 3.43Å; E628-Y648 WeakPolarHBondContact OE1-CB 3.43Å; E628-G650 CarbonylContact C-O 3.21Å; E628-G650 WeakPolarHBondContact CA-O 3.43Å
629N89.1Confident87.6Confident100 Ų10035.9 Ų35.954%0.53520%0.198SC..SBendtrans52.352.2174.2-59.4-47.2000112.8G605 G650 G651G605-N629 WeakPolarHBondContact CA-O 3.48Å; N629-G650 PolarHBondContact N-O 3.14Å; N629-G651 WeakPolarHBondContact CA-O 3.48Å
630N91.2Very high87.4Confident9 Ų938.4 Ų38.45%0.04822%0.217CC..SBendtrans-118.6-169.3173.5-83.9-93.4000109.6I603 N606 L608 V627 E628 I632 N652I603-N630 PolarHBondContact O-ND2 3.15Å; N606-N630 WeakPolarHBondContact CA-OD1 3.37Å; N606-N630 VanDerWaalsContact CB-OD1 3.23Å; N606-N630 WeakPolarHBondContact CB-OD1 3.49Å; N606-N630 PolarHBondContact O-OD1 3.27Å; L608-N630 HydrophobicContact CB-CB 4.27Å; L608-N630 VanDerWaalsContact CB-OD1 3.31Å; L608-N630 WeakPolarHBondContact CB-OD1 3.2Å; L608-N630 WeakPolarHBondContact CG-OD1 3.37Å; L608-N630 PolarHBondContact N-OD1 2.95Å; L608-N630 VanDerWaalsContact N-OD1 3.07Å; V627-N630 PolarHBondContact O-ND2 3.29Å; E628-N630 PolarHBondContact O-N 3.43Å; E628-N630 PolarHBondContact O-ND2 3.43Å; N630-I632 HydrophobicContact CB-CD1 4.18Å; N630-I632 HydrophobicContact CB-CG1 4.1Å; N630-N652 VanDerWaalsContact CA-OD1 3.31Å; N630-N652 WeakPolarHBondContact CA-OD1 3.49Å; N630-N652 WeakPolarHBondContact CB-OD1 3.17Å; N630-N652 PolarHBondContact N-OD1 2.97Å; N630-N652 PolarHBondContact O-OD1 3.12Å
631C88.7Confident87.5Confident47 Ų4734.6 Ų34.632%0.31819%0.191SC..  trans-110.831.8177.5-66.40000111.9L608 K609 T633L608-C631 CarbonylContact O-C 3.32Å; L608-C631 VanDerWaalsContact O-CA 3.23Å; L608-C631 WeakPolarHBondContact O-CA 3.17Å; L608-C631 WeakPolarHBondContact O-CB 3.44Å; L608-C631 PolarHBondContact O-N 2.98Å; K609-C631 WeakPolarHBondContact CA-O 3.29Å; K609-C631 HydrophobicContact CG-CB 4.32Å; C631-T633 PolarHBondContact O-N 3.41Å
632I90.8Very high87.4Confident2 Ų240.9 Ų40.91%0.0121%0.21CC..  trans-70.4127.2-172.9-61.6165.2000109.8L608 K609 L611 V627 N630 S634 N652 Q653 I654L608-I632 HydrophobicContact CB-CG1 4.26Å; L608-I632 PolarHBondContact O-N 2.87Å; K609-I632 WeakPolarHBondContact O-CA 3.43Å; L611-I632 HydrophobicContact CD1-CD1 4.3Å; L611-I632 HydrophobicContact CD1-CG2 4.26Å; L611-I632 HydrophobicContact CD2-CD1 3.79Å; L611-I632 HydrophobicContact CG-CD1 4.05Å; L611-I632 HydrophobicContact CG-CG1 4.47Å; L611-I632 HydrophobicContact CG-CG2 4.17Å; V627-I632 HydrophobicContact CB-CD1 3.75Å; V627-I632 HydrophobicContact CG1-CD1 4.4Å; V627-I632 HydrophobicContact CG2-CD1 3.7Å; N630-I632 HydrophobicContact CB-CD1 4.18Å; N630-I632 HydrophobicContact CB-CG1 4.1Å; I632-S634 WeakPolarHBondContact CG2-O 3.21Å; I632-N652 HydrophobicContact CB-CB 4.21Å; I632-N652 VanDerWaalsContact CB-OD1 3.31Å; I632-N652 WeakPolarHBondContact CB-OD1 3.29Å; I632-N652 WeakPolarHBondContact CG1-OD1 3.4Å; I632-N652 PolarHBondContact N-OD1 3.16Å; I632-Q653 CarbonylContact O-C 3.19Å; I632-Q653 VanDerWaalsContact O-C 3.28Å; I632-Q653 WeakPolarHBondContact O-CA 3.15Å; I632-Q653 PolarHBondContact O-N 3.28Å; I632-I654 PolarHBondContact O-N 3.32Å
633T88Confident87.3Confident77 Ų7742.3 Ų42.347%0.47222%0.22SC..  trans-97.4-25.3-178.751.90000113.8K609 C631 Q653K609-T633 PolarHBondContact O-N 3.38Å; K609-T633 PolarHBondContact O-OG1 2.9Å; C631-T633 PolarHBondContact O-N 3.41Å; T633-Q653 HydrophobicContact CG2-CB 4.41Å
634S87.2Confident87.3Confident31 Ų3141.1 Ų41.122%0.21721%0.213CC..  trans-148.7147.1-179.61780000112.7I632 S636 D659I632-S634 WeakPolarHBondContact CG2-O 3.21Å; S634-S636 PolarHBondContact OG-N 3.26Å; S634-S636 PolarHBondContact OG-OG 2.94Å; S634-D659 WeakPolarHBondContact CA-OD1 3.39Å; S634-D659 VanDerWaalsContact CB-OD1 3.3Å; S634-D659 WeakPolarHBondContact CB-OD1 3.27Å; S634-D659 PolarHBondContact OG-OD1 3.41Å
635T85.1Confident87.2Confident2 Ų241.1 Ų41.11%0.01221%0.214CC..  trans-91.51.1178.460.80000113.7G637 I638 I654 D659 L663T635-G637 PolarHBondContact O-N 3.31Å; T635-I638 PolarHBondContact O-N 2.8Å; T635-I654 HydrophobicContact CG2-CD1 3.69Å; T635-I654 HydrophobicContact CG2-CG1 4.42Å; T635-D659 HydrophobicContact CG2-CB 4.12Å; T635-D659 PolarHBondContact N-OD1 2.94Å; T635-D659 WeakPolarHBondContact OG1-CA 3.33Å; T635-D659 WeakPolarHBondContact OG1-CB 3.32Å; T635-D659 PolarHBondContact OG1-O 2.83Å; T635-D659 PolarHBondContact OG1-OD1 2.78Å; T635-L663 HydrophobicContact CG2-CD2 4.4Å
636S82.6Confident87.3Confident53 Ų5343.2 Ų43.237%0.37122%0.224SC..G310 helixtrans-51.2-32.1-175.853.70000114.5S634 I638 R639S634-S636 PolarHBondContact OG-N 3.26Å; S634-S636 PolarHBondContact OG-OG 2.94Å; S636-I638 VanDerWaalsContact C-N 3.29Å; S636-I638 PolarHBondContact O-N 3.41Å; S636-R639 WeakPolarHBondContact O-CB 3.34Å; S636-R639 PolarHBondContact O-N 2.81Å
637G77.4Confident87.3Confident1 Ų142.8 Ų42.81%0.0122%0.221CC..G310 helixtrans-68.3-17.417900000116.5C613 T635C613-G637 WeakPolarHBondContact SG-CA 3.33Å; T635-G637 PolarHBondContact O-N 3.31Å
638I83.5Confident87.4Confident3 Ų345.2 Ų45.22%0.01523%0.231CC..G310 helixtrans-89.3-14.2-179.4-49.1177.2000111.8L611 L616 F625 T635 S636 S640 V641 L644 L647 L666L611-I638 HydrophobicContact CD1-CD1 3.4Å; L611-I638 VanDerWaalsContact CD1-CD1 3.4Å; L611-I638 HydrophobicContact CD1-CG1 3.41Å; L611-I638 VanDerWaalsContact CD1-CG1 3.41Å; L616-I638 HydrophobicContact CD1-CG1 4.35Å; F625-I638 HydrophobicContact CD1-CD1 4.29Å; F625-I638 HydrophobicContact CE1-CD1 4.24Å; T635-I638 PolarHBondContact O-N 2.8Å; S636-I638 VanDerWaalsContact C-N 3.29Å; S636-I638 PolarHBondContact O-N 3.41Å; I638-S640 PolarHBondContact O-N 3.05Å; I638-V641 HydrophobicContact CG2-CB 4.38Å; I638-V641 PolarHBondContact O-N 3.44Å; I638-L644 HydrophobicContact CG2-CD2 3.88Å; I638-L647 HydrophobicContact CD1-CD1 3.85Å; I638-L647 HydrophobicContact CD1-CD2 3.83Å; I638-L666 HydrophobicContact CG2-CD1 3.87Å; I638-L666 HydrophobicContact CG2-CD2 4.27Å
639R82.6Confident87.4Confident155 Ų15542.8 Ų42.859%0.58522%0.22SC*.THydrogen-bonded Turntrans-48.7-29.3-172.5-175-176.9175.9-172.3-0.7114.9S636 A665S636-R639 WeakPolarHBondContact O-CB 3.34Å; S636-R639 PolarHBondContact O-N 2.81Å; R639-A665 HydrophobicContact CG-CB 3.6Å; R639-A665 WeakPolarHBondContact O-CB 3.46Å
640S77.9Confident87.5Confident56 Ų5638.3 Ų38.339%0.39220%0.197SC..THydrogen-bonded Turntrans-86-17.1-177.349.70000115.2N617 I638 R642N617-S640 WeakPolarHBondContact OD1-CB 3.29Å; N617-S640 PolarHBondContact OD1-OG 2.83Å; I638-S640 PolarHBondContact O-N 3.05Å; S640-R642 PolarHBondContact O-N 2.78Å
641V84.3Confident87.4Confident7 Ų739.1 Ų39.14%0.04221%0.208CC..  trans-87.469-171-167.80000111.2L616 L622 I638 S643 L644 L666L616-V641 HydrophobicContact CB-CG2 3.85Å; L622-V641 HydrophobicContact CB-CG1 4.16Å; L622-V641 HydrophobicContact CD2-CG1 4.44Å; I638-V641 HydrophobicContact CG2-CB 4.38Å; I638-V641 PolarHBondContact O-N 3.44Å; V641-S643 PolarHBondContact O-N 3.15Å; V641-S643 VanDerWaalsContact O-N 3.08Å; V641-L644 HydrophobicContact CG1-CB 4.36Å; V641-L644 WeakPolarHBondContact O-CB 3.32Å; V641-L644 PolarHBondContact O-N 3.13Å; V641-L666 WeakPolarHBondContact O-CD2 3.4Å
642R84Confident87.6Confident165 Ų16537.2 Ų37.262%0.62319%0.194SC*.THydrogen-bonded Turntrans-64.8-13.1-175.5-61.9-173.6-178.6-178-0.2115.2S640 L644 N668S640-R642 PolarHBondContact O-N 2.78Å; R642-L644 VanDerWaalsContact C-N 3.26Å; R642-N668 PolarHBondContact O-ND2 2.91Å
643S87.4Confident87.6Confident33 Ų3342.4 Ų42.423%0.23122%0.219CC..THydrogen-bonded Turntrans-76.8-10.5177.155.80000113.7P620 L622 V641 L645P620-S643 VanDerWaalsContact O-CB 3.23Å; P620-S643 WeakPolarHBondContact O-CB 3.36Å; P620-S643 PolarHBondContact O-OG 3.29Å; L622-S643 PolarHBondContact N-OG 2.78Å; L622-S643 CarbonylContact O-C 3.45Å; L622-S643 VanDerWaalsContact O-CB 3.32Å; L622-S643 WeakPolarHBondContact O-CB 3.4Å; L622-S643 PolarHBondContact O-OG 3.14Å; V641-S643 PolarHBondContact O-N 3.15Å; V641-S643 VanDerWaalsContact O-N 3.08Å; S643-L645 PolarHBondContact O-N 3.3Å
644L91.1Very high87.7Confident0 Ų038.8 Ų38.80%020%0.197CC..  trans-70.9128.8-173-160.870.9000111.7L622 F625 I638 V641 R642 L647 L666 N668 L669L622-L644 HydrophobicContact CD2-CD1 4.42Å; L622-L644 HydrophobicContact CG-CD1 4.25Å; L622-L644 PolarHBondContact O-N 3.31Å; F625-L644 HydrophobicContact CB-CD1 3.56Å; F625-L644 HydrophobicContact CB-CD2 4.44Å; I638-L644 HydrophobicContact CG2-CD2 3.88Å; V641-L644 HydrophobicContact CG1-CB 4.36Å; V641-L644 WeakPolarHBondContact O-CB 3.32Å; V641-L644 PolarHBondContact O-N 3.13Å; R642-L644 VanDerWaalsContact C-N 3.26Å; L644-L647 HydrophobicContact CD2-CB 3.89Å; L644-L647 HydrophobicContact CD2-CD1 4.17Å; L644-L647 HydrophobicContact CD2-CD2 4.41Å; L644-L647 HydrophobicContact CD2-CG 4.38Å; L644-L666 HydrophobicContact CD2-CD1 4.19Å; L644-N668 CarbonylContact O-C 3.59Å; L644-L669 HydrophobicContact CD2-CD1 4.34Å; L644-L669 HydrophobicContact CG-CD1 4.39Å
645L91.9Very high87.6Confident55 Ų5540 Ų4029%0.28821%0.205SC..  trans-108.2-36.9178-58.9179.4000111.5T623 S643 N668 I670 I671T623-L645 HydrophobicContact CG2-CD1 4.29Å; T623-L645 HydrophobicContact CG2-CG 4.48Å; T623-L645 PolarHBondContact O-N 2.76Å; S643-L645 PolarHBondContact O-N 3.3Å; L645-N668 HydrophobicContact CD2-CB 3.84Å; L645-N668 VanDerWaalsContact CD2-O 3.22Å; L645-N668 WeakPolarHBondContact CD2-O 3.46Å; L645-I670 HydrophobicContact CD2-CD1 4.28Å; L645-I670 PolarHBondContact O-N 3.45Å; L645-I671 PolarHBondContact O-N 2.85Å; L645-I671 VanDerWaalsContact O-N 3.13Å
646E93.1Very high87.5Confident47 Ų4743 Ų4322%0.2222%0.223CC..EExtended strand (participates in β ladder)trans-130.3125-176.6-56-175.7-175.300110.1T623 H624 F625 Y648 I671T623-E646 PolarHBondContact O-N 3.3Å; H624-E646 IonicContact CD2-OE1 3.45Å; H624-E646 IonicContact CD2-OE2 2.67Å; H624-E646 PolarHBondContact CD2-OE2 3.32Å; H624-E646 IonicContact NE2-OE1 3.89Å; H624-E646 PolarHBondContact NE2-OE1 2.75Å; H624-E646 IonicContact NE2-OE2 2.83Å; F625-E646 PolarHBondContact N-O 2.97Å; E646-Y648 HydrophobicContact CB-CE2 3.96Å; E646-Y648 PolarHBondContact OE2-OH 2.71Å; E646-I671 WeakPolarHBondContact CA-O 3.22Å; E646-I671 HydrophobicContact CB-CB 4.34Å; E646-I671 HydrophobicContact CG-CB 4.09Å; E646-I671 HydrophobicContact CG-CD1 4.1Å; E646-I671 HydrophobicContact CG-CG1 4.2Å
647L93.5Very high87.4Confident0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-125.7117.9176.9178.859.1000110.3F625 I638 L644 A649 L663 L669 I671 L672 D673F625-L647 HydrophobicContact CB-CD1 4.33Å; F625-L647 HydrophobicContact CD1-CD1 3.82Å; F625-L647 HydrophobicContact CG-CD1 4.45Å; F625-L647 WeakPolarHBondContact O-CA 3.28Å; I638-L647 HydrophobicContact CD1-CD1 3.85Å; I638-L647 HydrophobicContact CD1-CD2 3.83Å; L644-L647 HydrophobicContact CD2-CB 3.89Å; L644-L647 HydrophobicContact CD2-CD1 4.17Å; L644-L647 HydrophobicContact CD2-CD2 4.41Å; L644-L647 HydrophobicContact CD2-CG 4.38Å; L647-A649 HydrophobicContact CG-CB 4.47Å; L647-L663 HydrophobicContact CD2-CD2 3.63Å; L647-L669 HydrophobicContact CB-CD1 3.86Å; L647-I671 PolarHBondContact N-O 2.82Å; L647-L672 HydrophobicContact CB-CD1 4.09Å; L647-L672 HydrophobicContact CD2-CD1 3.86Å; L647-L672 HydrophobicContact CG-CD1 4.06Å; L647-L672 CarbonylContact O-C 3.57Å; L647-L672 WeakPolarHBondContact O-CA 3.49Å; L647-D673 PolarHBondContact O-N 3.44Å
648Y93.8Very high87.4Confident52 Ų5246.6 Ų46.620%0.20423%0.233CC..EExtended strand (participates in β ladder)trans-110.6111.1173.3-59-88000109.3F625 V627 E628 E646 I671 D673F625-Y648 PolarHBondContact O-N 3.34Å; V627-Y648 WeakPolarHBondContact CG2-O 3.03Å; V627-Y648 PolarHBondContact N-O 3Å; E628-Y648 WeakPolarHBondContact OE1-CB 3.43Å; E646-Y648 HydrophobicContact CB-CE2 3.96Å; E646-Y648 PolarHBondContact OE2-OH 2.71Å; Y648-I671 HydrophobicContact CE1-CG2 4.24Å; Y648-D673 HydrophobicContact CD1-CB 3.8Å
649A92.4Very high87.4Confident4 Ų446.6 Ų46.63%0.03323%0.233CC..  trans-133.126.8-176.100000112.1V627 L647 N652 D673 L674 N677V627-A649 HydrophobicContact CG2-CB 3.97Å; L647-A649 HydrophobicContact CG-CB 4.47Å; A649-N652 PolarHBondContact O-ND2 3.44Å; A649-D673 CarbonylContact C-O 3.54Å; A649-D673 WeakPolarHBondContact CA-O 3.43Å; A649-D673 PolarHBondContact N-O 3.23Å; A649-L674 HydrophobicContact CB-CD2 4.11Å; A649-N677 PolarHBondContact O-ND2 2.78Å
650G91.1Very high87.5Confident5 Ų539.2 Ų39.25%0.05221%0.205CC..  trans-63.9154.7176.900000113.8E628 N629 N652 D673 Y675E628-G650 CarbonylContact C-O 3.21Å; E628-G650 WeakPolarHBondContact CA-O 3.43Å; N629-G650 PolarHBondContact N-O 3.14Å; G650-N652 PolarHBondContact O-N 2.85Å; G650-N652 PolarHBondContact O-ND2 3.23Å; G650-D673 PolarHBondContact N-O 2.97Å; G650-Y675 CarbonylContact C-O 3.56Å; G650-Y675 WeakPolarHBondContact CA-O 3.27Å
651G88.6Confident87.6Confident26 Ų2638.4 Ų38.427%0.26819%0.194SC..SBendtrans64.236.6176.900000114.6N629 Y675N629-G651 WeakPolarHBondContact CA-O 3.48Å; G651-Y675 PolarHBondContact N-O 3.23Å
652N93.1Very high87.5Confident7 Ų740 Ų404%0.03720%0.2CC..SBendtrans-111.3-171.8176.8-80.9-75.5000111.3V627 N630 I632 A649 G650 I654 N677 P678V627-N652 PolarHBondContact O-ND2 3.48Å; N630-N652 VanDerWaalsContact CA-OD1 3.31Å; N630-N652 WeakPolarHBondContact CA-OD1 3.49Å; N630-N652 WeakPolarHBondContact CB-OD1 3.17Å; N630-N652 PolarHBondContact N-OD1 2.97Å; N630-N652 PolarHBondContact O-OD1 3.12Å; I632-N652 HydrophobicContact CB-CB 4.21Å; I632-N652 VanDerWaalsContact CB-OD1 3.31Å; I632-N652 WeakPolarHBondContact CB-OD1 3.29Å; I632-N652 WeakPolarHBondContact CG1-OD1 3.4Å; I632-N652 PolarHBondContact N-OD1 3.16Å; A649-N652 PolarHBondContact O-ND2 3.44Å; G650-N652 PolarHBondContact O-N 2.85Å; G650-N652 PolarHBondContact O-ND2 3.23Å; N652-I654 HydrophobicContact CB-CD1 4.47Å; N652-I654 HydrophobicContact CB-CG1 4.38Å; N652-N677 VanDerWaalsContact CA-OD1 3.25Å; N652-N677 WeakPolarHBondContact CA-OD1 3.29Å; N652-N677 WeakPolarHBondContact CB-OD1 3.43Å; N652-N677 PolarHBondContact N-OD1 3.04Å; N652-N677 PolarHBondContact O-OD1 2.89Å; N652-N677 VanDerWaalsContact O-OD1 3.12Å; N652-P678 WeakPolarHBondContact O-CD 3.43Å
653Q90.8Very high87.5Confident112 Ų11232.1 Ų32.152%0.52317%0.17SC..  trans-107.533.2179.9-62.2-162.834.500113I632 T633 S655I632-Q653 CarbonylContact O-C 3.19Å; I632-Q653 VanDerWaalsContact O-C 3.28Å; I632-Q653 WeakPolarHBondContact O-CA 3.15Å; I632-Q653 PolarHBondContact O-N 3.28Å; T633-Q653 HydrophobicContact CG2-CB 4.41Å; Q653-S655 PolarHBondContact O-N 2.73Å
654I90.4Very high87.3Confident1 Ų134.8 Ų34.81%0.00518%0.178CC..  trans-74.9117.4177.8-57.4165.7000108.9I632 T635 N652 D659 L674 N677 P678 I679I632-I654 PolarHBondContact O-N 3.32Å; T635-I654 HydrophobicContact CG2-CD1 3.69Å; T635-I654 HydrophobicContact CG2-CG1 4.42Å; N652-I654 HydrophobicContact CB-CD1 4.47Å; N652-I654 HydrophobicContact CB-CG1 4.38Å; I654-D659 HydrophobicContact CG2-CB 3.68Å; I654-L674 HydrophobicContact CD1-CD2 3.91Å; I654-N677 HydrophobicContact CB-CB 4.19Å; I654-N677 VanDerWaalsContact CB-OD1 3.31Å; I654-N677 WeakPolarHBondContact CB-OD1 3.43Å; I654-N677 WeakPolarHBondContact CG1-OD1 3.21Å; I654-N677 PolarHBondContact N-OD1 3.49Å; I654-P678 VanDerWaalsContact O-CD 3.28Å; I654-P678 WeakPolarHBondContact O-CD 3.23Å; I654-I679 HydrophobicContact CG2-CG2 4.38Å; I654-I679 WeakPolarHBondContact O-CB 3.48Å; I654-I679 PolarHBondContact O-N 2.74Å
655S85.9Confident86.9Confident56 Ų5636 Ų3639%0.39219%0.188SC..  trans-120.6-19.3-173.752.10000114.3Q653Q653-S655 PolarHBondContact O-N 2.73Å
656T81.7Confident86.6Confident65 Ų6533.6 Ų33.640%0.39918%0.175SC..  trans-103.9138.5-170.774.30000112.6R658 D659 I679T656-R658 PolarHBondContact O-N 3.01Å; T656-R658 VanDerWaalsContact O-N 3.11Å; T656-D659 WeakPolarHBondContact O-CB 3.49Å; T656-D659 PolarHBondContact O-N 3.27Å; T656-D659 VanDerWaalsContact O-N 3.1Å; T656-D659 PolarHBondContact OG1-OD2 3.5Å; T656-I679 WeakPolarHBondContact O-CD1 3.5Å
657S80.1Confident86.1Confident28 Ų2837.2 Ų37.220%0.19619%0.192CC..THydrogen-bonded Turntrans-58.1-24.5172.659.60000112.7D659 I660 Y661 Y689 D724S657-D659 PolarHBondContact O-N 3.08Å; S657-I660 WeakPolarHBondContact O-CB 3.48Å; S657-I660 PolarHBondContact O-N 3.09Å; S657-I660 VanDerWaalsContact O-N 3.08Å; S657-Y661 VanDerWaalsContact O-CD2 3.26Å; S657-Y661 WeakPolarHBondContact O-CD2 3.46Å; S657-Y689 WeakPolarHBondContact CB-OH 3.34Å; S657-D724 PolarHBondContact OG-OD1 2.81Å
658R77.5Confident85.9Confident102 Ų10241.5 Ų41.539%0.38522%0.215SC..Hα-helixtrans-53.5-35.7174.5-165.3177.1-172.2160.53.7112.8T656 I660 Y661 F662 S733T656-R658 PolarHBondContact O-N 3.01Å; T656-R658 VanDerWaalsContact O-N 3.11Å; R658-I660 VanDerWaalsContact C-N 3.25Å; R658-I660 PolarHBondContact O-N 3.12Å; R658-Y661 WeakPolarHBondContact O-CB 3.46Å; R658-Y661 PolarHBondContact O-N 2.84Å; R658-F662 HydrophobicContact CG-CE2 3.95Å; R658-F662 HydrophobicContact CG-CZ 3.93Å; R658-F662 PolarHBondContact O-N 2.84Å; R658-S733 PolarHBondContact NH1-OG 3.24Å
659D83.3Confident85.8Confident2 Ų239.2 Ų39.21%0.01121%0.206CC..Hα-helixtrans-66.3-29-178.5-69.3-61.1000112.4S634 T635 I654 T656 S657 Y661 F662 L663S634-D659 WeakPolarHBondContact CA-OD1 3.39Å; S634-D659 VanDerWaalsContact CB-OD1 3.3Å; S634-D659 WeakPolarHBondContact CB-OD1 3.27Å; S634-D659 PolarHBondContact OG-OD1 3.41Å; T635-D659 HydrophobicContact CG2-CB 4.12Å; T635-D659 PolarHBondContact N-OD1 2.94Å; T635-D659 WeakPolarHBondContact OG1-CA 3.33Å; T635-D659 WeakPolarHBondContact OG1-CB 3.32Å; T635-D659 PolarHBondContact OG1-O 2.83Å; T635-D659 PolarHBondContact OG1-OD1 2.78Å; I654-D659 HydrophobicContact CG2-CB 3.68Å; T656-D659 WeakPolarHBondContact O-CB 3.49Å; T656-D659 PolarHBondContact O-N 3.27Å; T656-D659 VanDerWaalsContact O-N 3.1Å; T656-D659 PolarHBondContact OG1-OD2 3.5Å; S657-D659 PolarHBondContact O-N 3.08Å; D659-Y661 VanDerWaalsContact C-N 3.3Å; D659-Y661 PolarHBondContact O-N 3.42Å; D659-F662 PolarHBondContact O-N 3.5Å; D659-L663 WeakPolarHBondContact O-CG 3.46Å; D659-L663 PolarHBondContact O-N 3.05Å
660I85.8Confident85.8Confident1 Ų142 Ų421%0.00522%0.22CC..Hα-helixtrans-66.6-33.8173.1-54.2-54.1000111.1S657 R658 F662 L663 K664 L674 I679 Y689 V690 H693S657-I660 WeakPolarHBondContact O-CB 3.48Å; S657-I660 PolarHBondContact O-N 3.09Å; S657-I660 VanDerWaalsContact O-N 3.08Å; R658-I660 VanDerWaalsContact C-N 3.25Å; R658-I660 PolarHBondContact O-N 3.12Å; I660-F662 PolarHBondContact O-N 3.03Å; I660-L663 HydrophobicContact CD1-CD1 4.38Å; I660-L663 WeakPolarHBondContact O-CB 3.34Å; I660-L663 PolarHBondContact O-N 3.49Å; I660-K664 PolarHBondContact O-N 3.09Å; I660-L674 HydrophobicContact CD1-CD1 3.54Å; I660-I679 HydrophobicContact CD1-CD1 3.85Å; I660-I679 HydrophobicContact CG1-CD1 3.68Å; I660-Y689 HydrophobicContact CB-CE1 4.34Å; I660-Y689 HydrophobicContact CG1-CE1 4.46Å; I660-Y689 HydrophobicContact CG2-CE1 4.41Å; I660-V690 HydrophobicContact CD1-CG2 3.85Å; I660-V690 HydrophobicContact CG1-CG2 4.18Å; I660-V690 HydrophobicContact CG2-CG2 4.3Å; I660-H693 HydrophobicContact CG2-CB 3.99Å
661Y79.1Confident85.9Confident39 Ų3943.7 Ų43.715%0.15323%0.227CC..Hα-helixtrans-68.7-34.1176.3-66.8-88000112.9S657 R658 D659 L663 K664 Y689 H693 D724S657-Y661 VanDerWaalsContact O-CD2 3.26Å; S657-Y661 WeakPolarHBondContact O-CD2 3.46Å; R658-Y661 WeakPolarHBondContact O-CB 3.46Å; R658-Y661 PolarHBondContact O-N 2.84Å; D659-Y661 VanDerWaalsContact C-N 3.3Å; D659-Y661 PolarHBondContact O-N 3.42Å; Y661-L663 PolarHBondContact O-N 3.03Å; Y661-K664 VanDerWaalsContact O-CB 3.27Å; Y661-K664 WeakPolarHBondContact O-CB 3.21Å; Y661-K664 PolarHBondContact O-N 3.01Å; Y661-K664 VanDerWaalsContact O-N 3.15Å; Y661-Y689 WeakPolarHBondContact CE2-OH 3.39Å; Y661-Y689 VanDerWaalsContact CZ-OH 3.31Å; Y661-Y689 PolarHBondContact OH-OH 3.3Å; Y661-H693 AromaticContact CE1-CE1 3.36Å; Y661-H693 WeakPolarHBondContact CE1-CE1 3.34Å; Y661-H693 AromaticContact CE1-ND1 3.57Å; Y661-H693 AromaticContact CZ-CE1 3.43Å; Y661-H693 VanDerWaalsContact CZ-CE1 3.43Å; Y661-H693 AromaticContact CZ-ND1 3.98Å; Y661-H693 AromaticContact CZ-NE2 3.7Å; Y661-H693 PolarHBondContact OH-CE1 2.95Å; Y661-H693 PolarHBondContact OH-NE2 2.99Å; Y661-H693 VanDerWaalsContact OH-NE2 3.08Å; Y661-D724 HydrophobicContact CE1-CB 4.32Å; Y661-D724 HydrophobicContact CE2-CB 3.63Å; Y661-D724 WeakPolarHBondContact OH-CB 3.49Å; Y661-D724 PolarHBondContact OH-OD2 3.42Å
662F82.9Confident86.1Confident40 Ų4042.4 Ų42.418%0.17521%0.214CC..Hα-helixtrans-64.5-32.3174.5-61.4-46.9000111.5R658 D659 I660 K664 A665R658-F662 HydrophobicContact CG-CE2 3.95Å; R658-F662 HydrophobicContact CG-CZ 3.93Å; R658-F662 PolarHBondContact O-N 2.84Å; D659-F662 PolarHBondContact O-N 3.5Å; I660-F662 PolarHBondContact O-N 3.03Å; F662-K664 VanDerWaalsContact C-N 3.32Å; F662-A665 PolarHBondContact O-N 3.45Å
663L85Confident86.1Confident0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-71.5-23.5174.5-58.6176.1000112.9T635 L647 D659 I660 Y661 A665 L666 L672 L674 L694T635-L663 HydrophobicContact CG2-CD2 4.4Å; L647-L663 HydrophobicContact CD2-CD2 3.63Å; D659-L663 WeakPolarHBondContact O-CG 3.46Å; D659-L663 PolarHBondContact O-N 3.05Å; I660-L663 HydrophobicContact CD1-CD1 4.38Å; I660-L663 WeakPolarHBondContact O-CB 3.34Å; I660-L663 PolarHBondContact O-N 3.49Å; Y661-L663 PolarHBondContact O-N 3.03Å; L663-A665 PolarHBondContact O-N 3.02Å; L663-A665 VanDerWaalsContact O-N 3.09Å; L663-L666 HydrophobicContact CD2-CD1 3.8Å; L663-L666 VanDerWaalsContact O-CB 3.25Å; L663-L666 WeakPolarHBondContact O-CB 3.43Å; L663-L666 PolarHBondContact O-N 3.22Å; L663-L672 HydrophobicContact CD1-CD1 4.07Å; L663-L672 HydrophobicContact CD1-CD2 3.94Å; L663-L674 HydrophobicContact CD1-CD1 4.41Å; L663-L694 HydrophobicContact CB-CD1 4.15Å; L663-L694 HydrophobicContact CB-CD2 4.34Å
664K82.9Confident86.2Confident88 Ų8838 Ų3838%0.38320%0.195SC..THydrogen-bonded Turntrans-58.1-24175.3-172.4178.3176.5-1790113.2I660 Y661 F662 L666 L694 E728I660-K664 PolarHBondContact O-N 3.09Å; Y661-K664 VanDerWaalsContact O-CB 3.27Å; Y661-K664 WeakPolarHBondContact O-CB 3.21Å; Y661-K664 PolarHBondContact O-N 3.01Å; Y661-K664 VanDerWaalsContact O-N 3.15Å; F662-K664 VanDerWaalsContact C-N 3.32Å; K664-L666 PolarHBondContact O-N 3.32Å; K664-L694 HydrophobicContact CB-CD2 4.42Å; K664-E728 IonicContact NZ-OE1 2.75Å; K664-E728 PolarHBondContact NZ-OE1 3.26Å; K664-E728 IonicContact NZ-OE2 2.71Å
665A82.7Confident86.3Confident26 Ų2646 Ų4622%0.21523%0.226CC..THydrogen-bonded Turntrans-69.9-13174.700000113.8R639 F662 L663 E667R639-A665 HydrophobicContact CG-CB 3.6Å; R639-A665 WeakPolarHBondContact O-CB 3.46Å; F662-A665 PolarHBondContact O-N 3.45Å; L663-A665 PolarHBondContact O-N 3.02Å; L663-A665 VanDerWaalsContact O-N 3.09Å; A665-E667 PolarHBondContact O-N 3.48Å
666L85.7Confident86.3Confident4 Ų445.4 Ų45.42%0.02123%0.228CC..  trans-9377-179.3-53.4174.7000110.1I638 V641 L644 L663 K664 N668 L669I638-L666 HydrophobicContact CG2-CD1 3.87Å; I638-L666 HydrophobicContact CG2-CD2 4.27Å; V641-L666 WeakPolarHBondContact O-CD2 3.4Å; L644-L666 HydrophobicContact CD2-CD1 4.19Å; L663-L666 HydrophobicContact CD2-CD1 3.8Å; L663-L666 VanDerWaalsContact O-CB 3.25Å; L663-L666 WeakPolarHBondContact O-CB 3.43Å; L663-L666 PolarHBondContact O-N 3.22Å; K664-L666 PolarHBondContact O-N 3.32Å; L666-N668 PolarHBondContact O-N 3.47Å; L666-L669 HydrophobicContact CB-CB 4.02Å; L666-L669 HydrophobicContact CD1-CD2 4.37Å; L666-L669 WeakPolarHBondContact O-CB 3.29Å; L666-L669 PolarHBondContact O-N 2.94Å
667E83Confident86.7Confident124 Ų12442.4 Ų42.458%0.57921%0.21SC*.THydrogen-bonded Turntrans-63.2-24.4-174.5-65.6173.9-17300113.9A665A665-E667 PolarHBondContact O-N 3.48Å
668N87.9Confident87.1Confident89 Ų8943.3 Ų43.348%0.47622%0.215SC..THydrogen-bonded Turntrans-95.65.7-178.3-60.6-49.9000113.7R642 L644 L645 L666 I670R642-N668 PolarHBondContact O-ND2 2.91Å; L644-N668 CarbonylContact O-C 3.59Å; L645-N668 HydrophobicContact CD2-CB 3.84Å; L645-N668 VanDerWaalsContact CD2-O 3.22Å; L645-N668 WeakPolarHBondContact CD2-O 3.46Å; L666-N668 PolarHBondContact O-N 3.47Å; N668-I670 WeakPolarHBondContact O-CG1 3.32Å; N668-I670 PolarHBondContact O-N 2.84Å
669L91.9Very high87.7Confident5 Ų538.5 Ų38.53%0.02620%0.197CC..  trans-70.1120.9-176.9-169.670.7000110.9L644 L647 L666 L672 L694 L697L644-L669 HydrophobicContact CD2-CD1 4.34Å; L644-L669 HydrophobicContact CG-CD1 4.39Å; L647-L669 HydrophobicContact CB-CD1 3.86Å; L666-L669 HydrophobicContact CB-CB 4.02Å; L666-L669 HydrophobicContact CD1-CD2 4.37Å; L666-L669 WeakPolarHBondContact O-CB 3.29Å; L666-L669 PolarHBondContact O-N 2.94Å; L669-L672 HydrophobicContact CD2-CB 4.19Å; L669-L672 HydrophobicContact CD2-CD1 4.34Å; L669-L672 HydrophobicContact CD2-CD2 4.45Å; L669-L694 HydrophobicContact CD2-CD1 4.41Å; L669-L697 HydrophobicContact CD2-CD1 4.37Å; L669-L697 HydrophobicContact CG-CD1 4.22Å
670I91.8Very high87.8Confident61 Ų6140.3 Ų40.331%0.31321%0.208SC..  trans-103.8-42.9-177-58.4177000111L645 N668 L697 K698 A699L645-I670 HydrophobicContact CD2-CD1 4.28Å; L645-I670 PolarHBondContact O-N 3.45Å; N668-I670 WeakPolarHBondContact O-CG1 3.32Å; N668-I670 PolarHBondContact O-N 2.84Å; I670-L697 WeakPolarHBondContact O-CD1 3.36Å; I670-K698 HydrophobicContact CG2-CB 3.83Å; I670-K698 HydrophobicContact CG2-CD 3.83Å; I670-K698 HydrophobicContact CG2-CG 3.91Å; I670-K698 PolarHBondContact O-N 3.43Å; I670-A699 PolarHBondContact O-N 3.45Å
671I93.1Very high87.7Confident41 Ų4147.1 Ų47.121%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-122.6129-176.7-53.8-176000109L645 E646 L647 Y648 A699L645-I671 PolarHBondContact O-N 2.85Å; L645-I671 VanDerWaalsContact O-N 3.13Å; E646-I671 WeakPolarHBondContact CA-O 3.22Å; E646-I671 HydrophobicContact CB-CB 4.34Å; E646-I671 HydrophobicContact CG-CB 4.09Å; E646-I671 HydrophobicContact CG-CD1 4.1Å; E646-I671 HydrophobicContact CG-CG1 4.2Å; L647-I671 PolarHBondContact N-O 2.82Å; Y648-I671 HydrophobicContact CE1-CG2 4.24Å; I671-A699 WeakPolarHBondContact CA-O 3.42Å; I671-A699 HydrophobicContact CG1-CB 4.27Å; I671-A699 HydrophobicContact CG2-CB 4.3Å
672L94.3Very high87.7Confident0 Ų050.9 Ų50.90%027%0.266CS..EExtended strand (participates in β ladder)trans-131.9129.1176.4176.961000109.1L647 L663 L669 L674 V690 L694 L697 A699 L700 D701L647-L672 HydrophobicContact CB-CD1 4.09Å; L647-L672 HydrophobicContact CD2-CD1 3.86Å; L647-L672 HydrophobicContact CG-CD1 4.06Å; L647-L672 CarbonylContact O-C 3.57Å; L647-L672 WeakPolarHBondContact O-CA 3.49Å; L663-L672 HydrophobicContact CD1-CD1 4.07Å; L663-L672 HydrophobicContact CD1-CD2 3.94Å; L669-L672 HydrophobicContact CD2-CB 4.19Å; L669-L672 HydrophobicContact CD2-CD1 4.34Å; L669-L672 HydrophobicContact CD2-CD2 4.45Å; L672-L674 HydrophobicContact CD1-CD1 4.29Å; L672-L674 HydrophobicContact CD1-CD2 4.25Å; L672-L674 HydrophobicContact CD1-CG 3.92Å; L672-L674 HydrophobicContact CD2-CD1 3.85Å; L672-L674 HydrophobicContact CD2-CG 4.29Å; L672-L674 HydrophobicContact CG-CD1 4.13Å; L672-L674 HydrophobicContact CG-CG 4Å; L672-V690 HydrophobicContact CD2-CG1 3.96Å; L672-L694 HydrophobicContact CD2-CD1 3.62Å; L672-L697 HydrophobicContact CB-CD1 3.64Å; L672-L697 HydrophobicContact CB-CD2 4.01Å; L672-L697 HydrophobicContact CB-CG 4.46Å; L672-A699 PolarHBondContact N-O 3.42Å; L672-L700 HydrophobicContact CB-CD1 4.17Å; L672-L700 HydrophobicContact CD2-CD1 4.1Å; L672-L700 HydrophobicContact CG-CD1 4.06Å; L672-L700 CarbonylContact O-C 3.37Å; L672-L700 VanDerWaalsContact O-CA 3.25Å; L672-L700 WeakPolarHBondContact O-CA 3.17Å; L672-D701 PolarHBondContact O-N 3.49Å
673D93.4Very high87.4Confident26 Ų2651 Ų5114%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-122.2121.2169.3-176.215.4000110.1L647 Y648 A649 G650 Y675L647-D673 PolarHBondContact O-N 3.44Å; Y648-D673 HydrophobicContact CD1-CB 3.8Å; A649-D673 CarbonylContact C-O 3.54Å; A649-D673 WeakPolarHBondContact CA-O 3.43Å; A649-D673 PolarHBondContact N-O 3.23Å; G650-D673 PolarHBondContact N-O 2.97Å; D673-Y675 WeakPolarHBondContact OD1-CB 3.47Å; D673-Y675 PolarHBondContact OD1-N 3Å
674L92.3Very high86.9Confident1 Ų158.9 Ų58.91%0.00531%0.305CS..  trans-125.512.2176.4-67.1172.1000110.9A649 I654 I660 L663 L672 N677 V680 Y686 D701A649-L674 HydrophobicContact CB-CD2 4.11Å; I654-L674 HydrophobicContact CD1-CD2 3.91Å; I660-L674 HydrophobicContact CD1-CD1 3.54Å; L663-L674 HydrophobicContact CD1-CD1 4.41Å; L672-L674 HydrophobicContact CD1-CD1 4.29Å; L672-L674 HydrophobicContact CD1-CD2 4.25Å; L672-L674 HydrophobicContact CD1-CG 3.92Å; L672-L674 HydrophobicContact CD2-CD1 3.85Å; L672-L674 HydrophobicContact CD2-CG 4.29Å; L672-L674 HydrophobicContact CG-CD1 4.13Å; L672-L674 HydrophobicContact CG-CG 4Å; L674-N677 WeakPolarHBondContact O-CB 3.43Å; L674-N677 PolarHBondContact O-N 3.29Å; L674-N677 PolarHBondContact O-ND2 3.39Å; L674-V680 WeakPolarHBondContact O-CG2 3.44Å; L674-Y686 VanDerWaalsContact CB-OH 3.29Å; L674-Y686 WeakPolarHBondContact CB-OH 3.42Å; L674-Y686 HydrophobicContact CD1-CE2 4.4Å; L674-Y686 WeakPolarHBondContact CD1-OH 3.24Å; L674-D701 PolarHBondContact N-OD1 3.23Å
675Y91.2Very high86.9Confident169 Ų16958.8 Ų58.866%0.66331%0.309SS*.THydrogen-bonded Turntrans-54.2142.4-179.4-179.6-102000112.4G650 G651 D673 N677 D701G650-Y675 CarbonylContact C-O 3.56Å; G650-Y675 WeakPolarHBondContact CA-O 3.27Å; G651-Y675 PolarHBondContact N-O 3.23Å; D673-Y675 WeakPolarHBondContact OD1-CB 3.47Å; D673-Y675 PolarHBondContact OD1-N 3Å; Y675-N677 VanDerWaalsContact C-N 3.27Å; Y675-N677 PolarHBondContact O-N 2.95Å; Y675-D701 PolarHBondContact N-OD1 3.5Å
676G86.1Confident87.1Confident43 Ų4358.2 Ų58.244%0.44330%0.301SS..THydrogen-bonded Turntrans72.615179.700000115
677N91.2Very high87.2Confident1 Ų160.5 Ų60.51%0.00531%0.309CS..SBendtrans-94.5148166.8-76.9-88000111.3A649 N652 I654 L674 Y675 I679 V680A649-N677 PolarHBondContact O-ND2 2.78Å; N652-N677 VanDerWaalsContact CA-OD1 3.25Å; N652-N677 WeakPolarHBondContact CA-OD1 3.29Å; N652-N677 WeakPolarHBondContact CB-OD1 3.43Å; N652-N677 PolarHBondContact N-OD1 3.04Å; N652-N677 PolarHBondContact O-OD1 2.89Å; N652-N677 VanDerWaalsContact O-OD1 3.12Å; I654-N677 HydrophobicContact CB-CB 4.19Å; I654-N677 VanDerWaalsContact CB-OD1 3.31Å; I654-N677 WeakPolarHBondContact CB-OD1 3.43Å; I654-N677 WeakPolarHBondContact CG1-OD1 3.21Å; I654-N677 PolarHBondContact N-OD1 3.49Å; L674-N677 WeakPolarHBondContact O-CB 3.43Å; L674-N677 PolarHBondContact O-N 3.29Å; L674-N677 PolarHBondContact O-ND2 3.39Å; Y675-N677 VanDerWaalsContact C-N 3.27Å; Y675-N677 PolarHBondContact O-N 2.95Å; N677-I679 HydrophobicContact CB-CG2 3.87Å; N677-I679 PolarHBondContact O-N 3.2Å; N677-V680 WeakPolarHBondContact O-CB 3.48Å; N677-V680 PolarHBondContact O-N 3.47Å
678P88.9Confident87.2Confident47 Ų4756 Ų5631%0.30529%0.289SS..Hα-helixtrans-53.3-30.2177-27.132.2000115N652 I654 V680 D681 I682N652-P678 WeakPolarHBondContact O-CD 3.43Å; I654-P678 VanDerWaalsContact O-CD 3.28Å; I654-P678 WeakPolarHBondContact O-CD 3.23Å; P678-V680 PolarHBondContact O-N 3.02Å; P678-D681 PolarHBondContact O-N 3.38Å; P678-I682 HydrophobicContact CB-CD1 3.94Å; P678-I682 WeakPolarHBondContact O-CB 3.18Å; P678-I682 WeakPolarHBondContact O-CD1 3.39Å; P678-I682 VanDerWaalsContact O-CG1 3.23Å; P678-I682 WeakPolarHBondContact O-CG1 3.3Å; P678-I682 PolarHBondContact O-N 3.33Å
679I88.8Confident87.1Confident2 Ų252.2 Ų52.21%0.0127%0.268CS..Hα-helixtrans-58-31.6177.3-167.5174.8000113.1I654 T656 I660 N677 D681 L683 Y686I654-I679 HydrophobicContact CG2-CG2 4.38Å; I654-I679 WeakPolarHBondContact O-CB 3.48Å; I654-I679 PolarHBondContact O-N 2.74Å; T656-I679 WeakPolarHBondContact O-CD1 3.5Å; I660-I679 HydrophobicContact CD1-CD1 3.85Å; I660-I679 HydrophobicContact CG1-CD1 3.68Å; N677-I679 HydrophobicContact CB-CG2 3.87Å; N677-I679 PolarHBondContact O-N 3.2Å; I679-D681 VanDerWaalsContact C-N 3.31Å; I679-D681 PolarHBondContact O-N 3.17Å; I679-L683 HydrophobicContact CG1-CB 4.36Å; I679-L683 HydrophobicContact CG1-CD2 4.4Å; I679-L683 VanDerWaalsContact O-CB 3.22Å; I679-L683 WeakPolarHBondContact O-CB 3.47Å; I679-L683 PolarHBondContact O-N 3.24Å; I679-L683 VanDerWaalsContact O-N 3.11Å; I679-Y686 HydrophobicContact CG1-CD2 4.25Å; I679-Y686 HydrophobicContact CG1-CE2 4.45Å; I679-Y686 HydrophobicContact CG2-CE2 4.11Å
680V86.4Confident86.8Confident39 Ų3952 Ų5224%0.23627%0.267CS..Hα-helixtrans-67.8-35.4-178-177.50000110.8L674 N677 P678 Y686L674-V680 WeakPolarHBondContact O-CG2 3.44Å; N677-V680 WeakPolarHBondContact O-CB 3.48Å; N677-V680 PolarHBondContact O-N 3.47Å; P678-V680 PolarHBondContact O-N 3.02Å; V680-Y686 HydrophobicContact CB-CD1 4.47Å; V680-Y686 HydrophobicContact CG1-CD1 4.09Å; V680-Y686 HydrophobicContact CG1-CE1 4.32Å; V680-Y686 HydrophobicContact CG2-CD1 4.37Å; V680-Y686 HydrophobicContact CG2-CE1 4.03Å; V680-Y686 HydrophobicContact CG2-CE2 4.27Å
681D82.4Confident86.6Confident145 Ų14549.2 Ų49.278%0.77525%0.253SS*.Hα-helixtrans-88.5-34.6-179-61.7-38.3000112.6P678 I679P678-D681 PolarHBondContact O-N 3.38Å; I679-D681 VanDerWaalsContact C-N 3.31Å; I679-D681 PolarHBondContact O-N 3.17Å
682I79.4Confident86.2Confident118 Ų11850.1 Ų50.161%0.60526%0.255SS*.Hα-helixtrans-78.3-36.6-175.7-64.7166.1000111.8P678 E684P678-I682 HydrophobicContact CB-CD1 3.94Å; P678-I682 WeakPolarHBondContact O-CB 3.18Å; P678-I682 WeakPolarHBondContact O-CD1 3.39Å; P678-I682 VanDerWaalsContact O-CG1 3.23Å; P678-I682 WeakPolarHBondContact O-CG1 3.3Å; P678-I682 PolarHBondContact O-N 3.33Å; I682-E684 PolarHBondContact O-N 2.78Å
683L76.9Confident85.6Confident41 Ų4150.8 Ų50.822%0.21526%0.258CS..SBendtrans-89.6111.4-171.9-173.366000111.5I679 N685 Y686 Y689I679-L683 HydrophobicContact CG1-CB 4.36Å; I679-L683 HydrophobicContact CG1-CD2 4.4Å; I679-L683 VanDerWaalsContact O-CB 3.22Å; I679-L683 WeakPolarHBondContact O-CB 3.47Å; I679-L683 PolarHBondContact O-N 3.24Å; I679-L683 VanDerWaalsContact O-N 3.11Å; L683-N685 PolarHBondContact O-N 3.42Å; L683-Y686 HydrophobicContact CD2-CD2 4.2Å; L683-Y686 VanDerWaalsContact O-CB 3.27Å; L683-Y686 WeakPolarHBondContact O-CB 3.4Å; L683-Y686 PolarHBondContact O-N 2.82Å; L683-Y689 HydrophobicContact CD2-CD1 3.56Å; L683-Y689 HydrophobicContact CD2-CD2 4.41Å; L683-Y689 HydrophobicContact CD2-CE1 4.07Å; L683-Y689 HydrophobicContact CD2-CG 3.75Å
684E74.3Confident85.3Confident166 Ų16650.1 Ų50.178%0.77626%0.255SS*.THydrogen-bonded Turntrans-59.5131.9173-68.3-171.8178.300111.4I682 Y686I682-E684 PolarHBondContact O-N 2.78Å; E684-Y686 PolarHBondContact O-N 3.48Å
685N82.8Confident84.9Confident87 Ų8753.4 Ų53.447%0.46528%0.276SS..THydrogen-bonded Turntrans5632.5-174.8-50.7-72.6000113.2L683 R687 I688 Y689 M716L683-N685 PolarHBondContact O-N 3.42Å; N685-R687 PolarHBondContact O-N 2.74Å; N685-I688 HydrophobicContact CB-CB 4.37Å; N685-I688 PolarHBondContact O-N 2.92Å; N685-Y689 PolarHBondContact O-N 3.26Å; N685-M716 HydrophobicContact CB-CE 4.26Å; N685-M716 VanDerWaalsContact ND2-CE 3.31Å; N685-M716 WeakPolarHBondContact ND2-CE 3.49Å
686Y87.1Confident84.6Confident14 Ų1452.2 Ų52.26%0.05528%0.275CS..Hα-helixtrans-36.9-51.4177.8158.7-98000113.3L674 I679 V680 L683 E684 I688 Y689 V690 D701L674-Y686 VanDerWaalsContact CB-OH 3.29Å; L674-Y686 WeakPolarHBondContact CB-OH 3.42Å; L674-Y686 HydrophobicContact CD1-CE2 4.4Å; L674-Y686 WeakPolarHBondContact CD1-OH 3.24Å; I679-Y686 HydrophobicContact CG1-CD2 4.25Å; I679-Y686 HydrophobicContact CG1-CE2 4.45Å; I679-Y686 HydrophobicContact CG2-CE2 4.11Å; V680-Y686 HydrophobicContact CB-CD1 4.47Å; V680-Y686 HydrophobicContact CG1-CD1 4.09Å; V680-Y686 HydrophobicContact CG1-CE1 4.32Å; V680-Y686 HydrophobicContact CG2-CD1 4.37Å; V680-Y686 HydrophobicContact CG2-CE1 4.03Å; V680-Y686 HydrophobicContact CG2-CE2 4.27Å; L683-Y686 HydrophobicContact CD2-CD2 4.2Å; L683-Y686 VanDerWaalsContact O-CB 3.27Å; L683-Y686 WeakPolarHBondContact O-CB 3.4Å; L683-Y686 PolarHBondContact O-N 2.82Å; E684-Y686 PolarHBondContact O-N 3.48Å; Y686-I688 PolarHBondContact O-N 2.77Å; Y686-Y689 WeakPolarHBondContact O-CB 3.26Å; Y686-Y689 PolarHBondContact O-N 3.18Å; Y686-Y689 VanDerWaalsContact O-N 3.15Å; Y686-V690 HydrophobicContact CD2-CG2 3.91Å; Y686-V690 HydrophobicContact CE1-CG2 4.5Å; Y686-V690 HydrophobicContact CE2-CG2 3.4Å; Y686-V690 WeakPolarHBondContact O-CG2 3.47Å; Y686-V690 PolarHBondContact O-N 2.78Å; Y686-D701 VanDerWaalsContact CE1-OD2 3.24Å; Y686-D701 WeakPolarHBondContact CE1-OD2 3.38Å; Y686-D701 PolarHBondContact OH-OD2 2.7Å
687R87.7Confident84.7Confident52 Ų5250.6 Ų50.620%0.19626%0.256CS..Hα-helixtrans-58.7-49.1-178.2-172.1178.3172.676.93.1112.7N685 Y689 V690 V691 L700 T703 A704 E709N685-R687 PolarHBondContact O-N 2.74Å; R687-Y689 VanDerWaalsContact C-N 3.28Å; R687-Y689 PolarHBondContact O-N 3.11Å; R687-V690 PolarHBondContact O-N 3.45Å; R687-V691 VanDerWaalsContact O-CG2 3.28Å; R687-V691 WeakPolarHBondContact O-CG2 3.41Å; R687-V691 PolarHBondContact O-N 3.12Å; R687-L700 HydrophobicContact CG-CD2 3.89Å; R687-L700 PolarHBondContact NH1-O 3.23Å; R687-L700 VanDerWaalsContact NH1-O 3.13Å; R687-T703 VanDerWaalsContact CZ-OG1 3.32Å; R687-T703 PolarHBondContact NH1-OG1 2.83Å; R687-T703 PolarHBondContact NH2-OG1 2.97Å; R687-A704 PolarHBondContact NH2-O 3.16Å; R687-E709 IonicContact CZ-OE1 2.77Å; R687-E709 IonicContact CZ-OE2 3.97Å; R687-E709 IonicContact NE-OE1 3.26Å; R687-E709 PolarHBondContact NE-OE1 3.31Å; R687-E709 IonicContact NE-OE2 3.77Å; R687-E709 PolarHBondContact NE-OE2 2.92Å; R687-E709 IonicContact NH2-OE1 3.56Å; R687-E709 IonicContact NH2-OE2 3.74Å; R687-E709 PolarHBondContact NH2-OE2 2.96Å
688I84.4Confident84.7Confident30 Ų3057.4 Ų57.415%0.15429%0.285CS..Hα-helixtrans-66.5-34.6179.6-56-59.6000110.6N685 Y686 F692 E709 A713 F717N685-I688 HydrophobicContact CB-CB 4.37Å; N685-I688 PolarHBondContact O-N 2.92Å; Y686-I688 PolarHBondContact O-N 2.77Å; I688-F692 WeakPolarHBondContact O-CB 3.48Å; I688-F692 PolarHBondContact O-N 2.74Å; I688-E709 HydrophobicContact CD1-CB 4.14Å; I688-E709 HydrophobicContact CD1-CG 4.32Å; I688-A713 HydrophobicContact CG2-CB 3.64Å; I688-A713 WeakPolarHBondContact O-CB 3.33Å; I688-F717 HydrophobicContact CB-CE2 4.29Å; I688-F717 HydrophobicContact CG2-CD2 4.24Å; I688-F717 HydrophobicContact CG2-CE2 3.79Å
689Y84.3Confident84.8Confident9 Ų956.1 Ų56.14%0.03528%0.279CS..Hα-helixtrans-64.4-48.2174.9-175.1-87.1000111.8S657 I660 Y661 L683 N685 Y686 R687 V691 F692 H693 F717 D724S657-Y689 WeakPolarHBondContact CB-OH 3.34Å; I660-Y689 HydrophobicContact CB-CE1 4.34Å; I660-Y689 HydrophobicContact CG1-CE1 4.46Å; I660-Y689 HydrophobicContact CG2-CE1 4.41Å; Y661-Y689 WeakPolarHBondContact CE2-OH 3.39Å; Y661-Y689 VanDerWaalsContact CZ-OH 3.31Å; Y661-Y689 PolarHBondContact OH-OH 3.3Å; L683-Y689 HydrophobicContact CD2-CD1 3.56Å; L683-Y689 HydrophobicContact CD2-CD2 4.41Å; L683-Y689 HydrophobicContact CD2-CE1 4.07Å; L683-Y689 HydrophobicContact CD2-CG 3.75Å; N685-Y689 PolarHBondContact O-N 3.26Å; Y686-Y689 WeakPolarHBondContact O-CB 3.26Å; Y686-Y689 PolarHBondContact O-N 3.18Å; Y686-Y689 VanDerWaalsContact O-N 3.15Å; R687-Y689 VanDerWaalsContact C-N 3.28Å; R687-Y689 PolarHBondContact O-N 3.11Å; Y689-V691 PolarHBondContact O-N 3.49Å; Y689-F692 WeakPolarHBondContact O-CB 3.48Å; Y689-F692 PolarHBondContact O-N 2.72Å; Y689-H693 AromaticContact CD1-CD2 3.67Å; Y689-H693 AromaticContact CE1-CD2 3.43Å; Y689-H693 VanDerWaalsContact CE1-CD2 3.43Å; Y689-H693 WeakPolarHBondContact CE1-CD2 3.28Å; Y689-H693 AromaticContact CE1-NE2 3.69Å; Y689-H693 AromaticContact CE2-NE2 3.57Å; Y689-H693 AromaticContact CZ-CD2 3.66Å; Y689-H693 AromaticContact CZ-NE2 3.37Å; Y689-H693 PolarHBondContact O-CD2 3.49Å; Y689-H693 PolarHBondContact O-N 2.96Å; Y689-F717 AromaticContact CD2-CE1 3.98Å; Y689-F717 HydrophobicContact CD2-CE1 3.98Å; Y689-F717 AromaticContact CD2-CZ 3.99Å; Y689-F717 HydrophobicContact CD2-CZ 3.99Å; Y689-D724 PolarHBondContact OH-OD2 3.01Å
690V86.8Confident85Confident0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-61.4-46177.4176.60000110.9I660 L672 Y686 R687 F692 H693 L694 L700I660-V690 HydrophobicContact CD1-CG2 3.85Å; I660-V690 HydrophobicContact CG1-CG2 4.18Å; I660-V690 HydrophobicContact CG2-CG2 4.3Å; L672-V690 HydrophobicContact CD2-CG1 3.96Å; Y686-V690 HydrophobicContact CD2-CG2 3.91Å; Y686-V690 HydrophobicContact CE1-CG2 4.5Å; Y686-V690 HydrophobicContact CE2-CG2 3.4Å; Y686-V690 WeakPolarHBondContact O-CG2 3.47Å; Y686-V690 PolarHBondContact O-N 2.78Å; R687-V690 PolarHBondContact O-N 3.45Å; V690-F692 VanDerWaalsContact C-N 3.28Å; V690-F692 PolarHBondContact O-N 3.01Å; V690-H693 PolarHBondContact O-N 3.29Å; V690-H693 VanDerWaalsContact O-N 3.16Å; V690-L694 HydrophobicContact CG1-CD1 3.97Å; V690-L694 WeakPolarHBondContact O-CB 3.33Å; V690-L694 PolarHBondContact O-N 3.28Å; V690-L700 HydrophobicContact CB-CD2 3.86Å; V690-L700 HydrophobicContact CG1-CD1 4Å; V690-L700 HydrophobicContact CG1-CD2 3.82Å
691V87.6Confident85.2Confident2 Ų255.9 Ų55.91%0.01228%0.276CS..Hα-helixtrans-61.6-35.1177.3171.60000112.1R687 Y689 L694 L700 V705 C710 A713R687-V691 VanDerWaalsContact O-CG2 3.28Å; R687-V691 WeakPolarHBondContact O-CG2 3.41Å; R687-V691 PolarHBondContact O-N 3.12Å; Y689-V691 PolarHBondContact O-N 3.49Å; V691-L694 CarbonylContact O-C 3.5Å; V691-L700 HydrophobicContact CG2-CD2 4.29Å; V691-V705 HydrophobicContact CG1-CG1 3.91Å; V691-V705 HydrophobicContact CG2-CG1 3.73Å; V691-V705 HydrophobicContact CG2-CG2 4.16Å; V691-C710 HydrophobicContact CG1-CB 4.36Å; V691-C710 VanDerWaalsContact CG1-SG 3.57Å; V691-A713 HydrophobicContact CG1-CB 4.33Å
692F84.6Confident85.3Confident61 Ų6152.6 Ų52.627%0.26828%0.277SS..Hα-helixtrans-62.3-43.8174.8-178.9-110.3000112.4I688 Y689 V690 A713 F717 K718I688-F692 WeakPolarHBondContact O-CB 3.48Å; I688-F692 PolarHBondContact O-N 2.74Å; Y689-F692 WeakPolarHBondContact O-CB 3.48Å; Y689-F692 PolarHBondContact O-N 2.72Å; V690-F692 VanDerWaalsContact C-N 3.28Å; V690-F692 PolarHBondContact O-N 3.01Å; F692-A713 HydrophobicContact CB-CB 3.93Å; F692-A713 HydrophobicContact CD2-CB 4.42Å; F692-A713 WeakPolarHBondContact CD2-O 3.18Å; F692-F717 HydrophobicContact CB-CB 4.4Å; F692-F717 HydrophobicContact CB-CD2 4.02Å; F692-F717 HydrophobicContact CD1-CB 3.61Å; F692-F717 HydrophobicContact CD1-CG 4.26Å; F692-F717 HydrophobicContact CD2-CB 3.69Å; F692-F717 HydrophobicContact CE1-CB 3.65Å; F692-F717 HydrophobicContact CE2-CB 3.73Å; F692-F717 HydrophobicContact CG-CB 3.62Å; F692-F717 HydrophobicContact CG-CD2 4.16Å; F692-F717 HydrophobicContact CG-CG 4.21Å; F692-F717 HydrophobicContact CZ-CB 3.71Å; F692-K718 HydrophobicContact CE2-CB 4.19Å
693H82.2Confident85.7Confident13 Ų1350.5 Ų50.56%0.0627%0.27CS..Hα-helixtrans-82.5-25.8-177.5-70.6-67.9000113.3I660 Y661 Y689 V690 P695I660-H693 HydrophobicContact CG2-CB 3.99Å; Y661-H693 AromaticContact CE1-CE1 3.36Å; Y661-H693 WeakPolarHBondContact CE1-CE1 3.34Å; Y661-H693 AromaticContact CE1-ND1 3.57Å; Y661-H693 AromaticContact CZ-CE1 3.43Å; Y661-H693 VanDerWaalsContact CZ-CE1 3.43Å; Y661-H693 AromaticContact CZ-ND1 3.98Å; Y661-H693 AromaticContact CZ-NE2 3.7Å; Y661-H693 PolarHBondContact OH-CE1 2.95Å; Y661-H693 PolarHBondContact OH-NE2 2.99Å; Y661-H693 VanDerWaalsContact OH-NE2 3.08Å; Y689-H693 AromaticContact CD1-CD2 3.67Å; Y689-H693 AromaticContact CE1-CD2 3.43Å; Y689-H693 VanDerWaalsContact CE1-CD2 3.43Å; Y689-H693 WeakPolarHBondContact CE1-CD2 3.28Å; Y689-H693 AromaticContact CE1-NE2 3.69Å; Y689-H693 AromaticContact CE2-NE2 3.57Å; Y689-H693 AromaticContact CZ-CD2 3.66Å; Y689-H693 AromaticContact CZ-NE2 3.37Å; Y689-H693 PolarHBondContact O-CD2 3.49Å; Y689-H693 PolarHBondContact O-N 2.96Å; V690-H693 PolarHBondContact O-N 3.29Å; V690-H693 VanDerWaalsContact O-N 3.16Å; H693-P695 WeakPolarHBondContact O-CD 3.33Å
694L86.4Confident86.3Confident12 Ų1251.8 Ų51.86%0.06329%0.286CS..  trans-121.772.6179.7-59.4177.2000110.8L663 K664 L669 L672 V690 V691 F696 L697L663-L694 HydrophobicContact CB-CD1 4.15Å; L663-L694 HydrophobicContact CB-CD2 4.34Å; K664-L694 HydrophobicContact CB-CD2 4.42Å; L669-L694 HydrophobicContact CD2-CD1 4.41Å; L672-L694 HydrophobicContact CD2-CD1 3.62Å; V690-L694 HydrophobicContact CG1-CD1 3.97Å; V690-L694 WeakPolarHBondContact O-CB 3.33Å; V690-L694 PolarHBondContact O-N 3.28Å; V691-L694 CarbonylContact O-C 3.5Å; L694-F696 PolarHBondContact O-N 3.24Å; L694-L697 HydrophobicContact CB-CB 4.36Å; L694-L697 WeakPolarHBondContact O-CB 3.23Å; L694-L697 PolarHBondContact O-N 2.87Å
695P82.8Confident87Confident71 Ų7144.9 Ų44.946%0.46126%0.256SS..THydrogen-bonded Turntrans-71.6-12.9-173.929.9-37.2000114.3H693 L697H693-P695 WeakPolarHBondContact O-CD 3.33Å; P695-L697 VanDerWaalsContact C-N 3.33Å
696F84.9Confident87.1Confident144 Ų14445.8 Ų45.863%0.63226%0.26SS*.THydrogen-bonded Turntrans-87.6-5.8179.7-56.3-69.7000113.2L694L694-F696 PolarHBondContact O-N 3.24Å
697L89.6Confident86.8Confident9 Ų949.8 Ų49.85%0.04729%0.29CS..  trans-69.7132.2-176.7-161.873.9000110.7L669 I670 L672 L694 P695 A699 L700 V705L669-L697 HydrophobicContact CD2-CD1 4.37Å; L669-L697 HydrophobicContact CG-CD1 4.22Å; I670-L697 WeakPolarHBondContact O-CD1 3.36Å; L672-L697 HydrophobicContact CB-CD1 3.64Å; L672-L697 HydrophobicContact CB-CD2 4.01Å; L672-L697 HydrophobicContact CB-CG 4.46Å; L694-L697 HydrophobicContact CB-CB 4.36Å; L694-L697 WeakPolarHBondContact O-CB 3.23Å; L694-L697 PolarHBondContact O-N 2.87Å; P695-L697 VanDerWaalsContact C-N 3.33Å; L697-A699 WeakPolarHBondContact CG-O 3.08Å; L697-L700 HydrophobicContact CD2-CB 3.69Å; L697-L700 HydrophobicContact CD2-CD1 3.99Å; L697-L700 HydrophobicContact CD2-CD2 4.39Å; L697-L700 HydrophobicContact CD2-CG 4.24Å; L697-V705 HydrophobicContact CD2-CG2 4.31Å; L697-V705 HydrophobicContact CG-CG2 4.44Å
698K90.4Very high86.5Confident143 Ų14349.1 Ų49.162%0.62230%0.3SS*.SBendtrans-101.8-25.8177-64.1-172.4-175.8175.30113I670 A704 V705I670-K698 HydrophobicContact CG2-CB 3.83Å; I670-K698 HydrophobicContact CG2-CD 3.83Å; I670-K698 HydrophobicContact CG2-CG 3.91Å; I670-K698 PolarHBondContact O-N 3.43Å; K698-A704 CarbonylContact O-C 3.16Å; K698-A704 WeakPolarHBondContact O-CA 3.43Å; K698-V705 PolarHBondContact O-N 3.19Å
699A92Very high86.5Confident21 Ų2149.6 Ų49.617%0.17430%0.302CS..EExtended strand (participates in β ladder)trans-141.4135.1176.700000110.9I670 I671 L672 L697 T703I670-A699 PolarHBondContact O-N 3.45Å; I671-A699 WeakPolarHBondContact CA-O 3.42Å; I671-A699 HydrophobicContact CG1-CB 4.27Å; I671-A699 HydrophobicContact CG2-CB 4.3Å; L672-A699 PolarHBondContact N-O 3.42Å; L697-A699 WeakPolarHBondContact CG-O 3.08Å; A699-T703 CarbonylContact C-O 3.52Å; A699-T703 WeakPolarHBondContact CA-O 3.44Å
700L93Very high86.3Confident0 Ų050.4 Ų50.40%031%0.308CS..EExtended strand (participates in β ladder)trans-130125.2178.4179.757.5000109.4L672 R687 V690 V691 L697 G702 T703 V705L672-L700 HydrophobicContact CB-CD1 4.17Å; L672-L700 HydrophobicContact CD2-CD1 4.1Å; L672-L700 HydrophobicContact CG-CD1 4.06Å; L672-L700 CarbonylContact O-C 3.37Å; L672-L700 VanDerWaalsContact O-CA 3.25Å; L672-L700 WeakPolarHBondContact O-CA 3.17Å; R687-L700 HydrophobicContact CG-CD2 3.89Å; R687-L700 PolarHBondContact NH1-O 3.23Å; R687-L700 VanDerWaalsContact NH1-O 3.13Å; V690-L700 HydrophobicContact CB-CD2 3.86Å; V690-L700 HydrophobicContact CG1-CD1 4Å; V690-L700 HydrophobicContact CG1-CD2 3.82Å; V691-L700 HydrophobicContact CG2-CD2 4.29Å; L697-L700 HydrophobicContact CD2-CB 3.69Å; L697-L700 HydrophobicContact CD2-CD1 3.99Å; L697-L700 HydrophobicContact CD2-CD2 4.39Å; L697-L700 HydrophobicContact CD2-CG 4.24Å; L700-G702 VanDerWaalsContact C-N 3.29Å; L700-G702 PolarHBondContact O-N 2.89Å; L700-T703 PolarHBondContact N-O 3.32Å; L700-T703 PolarHBondContact O-N 3.37Å; L700-T703 VanDerWaalsContact O-O 3.09Å; L700-T703 PolarHBondContact O-OG1 3.44Å; L700-V705 HydrophobicContact CB-CG2 3.97Å
701D90.1Very high85.9Confident35 Ų3554.3 Ų54.319%0.18733%0.329CS..THydrogen-bonded Turntrans52.145177.5-50-37.8000112.7L672 L674 Y675 Y686 T703L672-D701 PolarHBondContact O-N 3.49Å; L674-D701 PolarHBondContact N-OD1 3.23Å; Y675-D701 PolarHBondContact N-OD1 3.5Å; Y686-D701 VanDerWaalsContact CE1-OD2 3.24Å; Y686-D701 WeakPolarHBondContact CE1-OD2 3.38Å; Y686-D701 PolarHBondContact OH-OD2 2.7Å; D701-T703 PolarHBondContact O-N 3.22Å
702G83.6Confident85.4Confident77 Ų7757.1 Ų57.179%0.79435%0.349SS*.THydrogen-bonded Turntrans74.92.9-179.400000115.6L700L700-G702 VanDerWaalsContact C-N 3.29Å; L700-G702 PolarHBondContact O-N 2.89Å
703T88.4Confident85.3Confident73 Ų7354.3 Ų54.345%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-117.7138.6178.856.60000111.6R687 A699 L700 D701R687-T703 VanDerWaalsContact CZ-OG1 3.32Å; R687-T703 PolarHBondContact NH1-OG1 2.83Å; R687-T703 PolarHBondContact NH2-OG1 2.97Å; A699-T703 CarbonylContact C-O 3.52Å; A699-T703 WeakPolarHBondContact CA-O 3.44Å; L700-T703 PolarHBondContact N-O 3.32Å; L700-T703 PolarHBondContact O-N 3.37Å; L700-T703 VanDerWaalsContact O-O 3.09Å; L700-T703 PolarHBondContact O-OG1 3.44Å; D701-T703 PolarHBondContact O-N 3.22Å
704A89.8Confident85.1Confident68 Ų6858.5 Ų58.556%0.56236%0.355SS*.EExtended strand (participates in β ladder)trans-64.2143.5178.800000111.1R687 K698R687-A704 PolarHBondContact NH2-O 3.16Å; K698-A704 CarbonylContact O-C 3.16Å; K698-A704 WeakPolarHBondContact O-CA 3.43Å
705V89.3Confident84.4Confident22 Ų2265.9 Ų65.913%0.13339%0.391CS..PPolyproline II helixtrans-88.5117.9175.8178.60000108.6V691 L697 K698 L700V691-V705 HydrophobicContact CG1-CG1 3.91Å; V691-V705 HydrophobicContact CG2-CG1 3.73Å; V691-V705 HydrophobicContact CG2-CG2 4.16Å; L697-V705 HydrophobicContact CD2-CG2 4.31Å; L697-V705 HydrophobicContact CG-CG2 4.44Å; K698-V705 PolarHBondContact O-N 3.19Å; L700-V705 HydrophobicContact CB-CG2 3.97Å
706D85.2Confident83.8Confident105 Ų10566.1 Ų66.156%0.56139%0.387SS*.PPolyproline II helixtrans-84.1150.4-179.9-72.9-30.4000111.6G708 E709 C710D706-G708 PolarHBondContact O-N 2.98Å; D706-E709 HydrophobicContact CB-CG 4.26Å; D706-E709 PolarHBondContact N-OE2 2.97Å; D706-E709 WeakPolarHBondContact O-CB 3.38Å; D706-E709 PolarHBondContact O-N 2.83Å; D706-C710 PolarHBondContact O-N 3.02Å
707S79.7Confident83.1Confident98 Ų9860.3 Ų60.369%0.68536%0.361SS*.Hα-helixtrans-60.7-30.1175.659.80000112.5E709 C710 D711S707-E709 VanDerWaalsContact C-N 3.34Å; S707-C710 WeakPolarHBondContact O-CB 3.4Å; S707-C710 PolarHBondContact O-N 3.1Å; S707-D711 PolarHBondContact O-N 2.78Å; S707-D711 VanDerWaalsContact O-N 3.12Å
708G81.6Confident82.2Confident39 Ų3966.8 Ų66.840%0.40239%0.389SS..Hα-helixtrans-66.8-31.4174.500000113.7D706 D711 S712D706-G708 PolarHBondContact O-N 2.98Å; G708-D711 PolarHBondContact O-N 2.99Å; G708-S712 WeakPolarHBondContact O-CB 3.43Å; G708-S712 PolarHBondContact O-N 3.5Å; G708-S712 PolarHBondContact O-OG 3.21Å
709E83.9Confident81.3Confident40 Ų4061 Ų6119%0.18737%0.37CS..Hα-helixtrans-69-41.2173.8-64.6-175.2139.700110.6R687 I688 D706 S707 D711 S712 A713R687-E709 IonicContact CZ-OE1 2.77Å; R687-E709 IonicContact CZ-OE2 3.97Å; R687-E709 IonicContact NE-OE1 3.26Å; R687-E709 PolarHBondContact NE-OE1 3.31Å; R687-E709 IonicContact NE-OE2 3.77Å; R687-E709 PolarHBondContact NE-OE2 2.92Å; R687-E709 IonicContact NH2-OE1 3.56Å; R687-E709 IonicContact NH2-OE2 3.74Å; R687-E709 PolarHBondContact NH2-OE2 2.96Å; I688-E709 HydrophobicContact CD1-CB 4.14Å; I688-E709 HydrophobicContact CD1-CG 4.32Å; D706-E709 HydrophobicContact CB-CG 4.26Å; D706-E709 PolarHBondContact N-OE2 2.97Å; D706-E709 WeakPolarHBondContact O-CB 3.38Å; D706-E709 PolarHBondContact O-N 2.83Å; S707-E709 VanDerWaalsContact C-N 3.34Å; E709-D711 VanDerWaalsContact C-N 3.32Å; E709-D711 PolarHBondContact O-N 2.77Å; E709-S712 PolarHBondContact O-N 2.7Å; E709-A713 WeakPolarHBondContact O-CB 3.37Å; E709-A713 PolarHBondContact O-N 3.04Å
710C81.1Confident80.6Confident26 Ų2663.1 Ų63.118%0.17637%0.374CS..Hα-helixtrans-60.1-41174.6-69.90000112.3V691 D706 S707 K714V691-C710 HydrophobicContact CG1-CB 4.36Å; V691-C710 VanDerWaalsContact CG1-SG 3.57Å; D706-C710 PolarHBondContact O-N 3.02Å; S707-C710 WeakPolarHBondContact O-CB 3.4Å; S707-C710 PolarHBondContact O-N 3.1Å; C710-K714 VanDerWaalsContact O-CG 3.28Å; C710-K714 WeakPolarHBondContact O-CG 3.4Å; C710-K714 PolarHBondContact O-N 3.16Å
711D78.1Confident80Confident81 Ų8163.4 Ų63.443%0.43338%0.375SS..Hα-helixtrans-72.5-38.4177.7-70.5-24.4000111.8S707 G708 E709 A713 K714 M715S707-D711 PolarHBondContact O-N 2.78Å; S707-D711 VanDerWaalsContact O-N 3.12Å; G708-D711 PolarHBondContact O-N 2.99Å; E709-D711 VanDerWaalsContact C-N 3.32Å; E709-D711 PolarHBondContact O-N 2.77Å; D711-A713 VanDerWaalsContact C-N 3.34Å; D711-K714 PolarHBondContact O-N 2.68Å; D711-K714 IonicContact OD1-NZ 3.51Å; D711-M715 WeakPolarHBondContact O-CG 3.28Å; D711-M715 PolarHBondContact O-N 2.77Å
712S77.3Confident79.4Confident62 Ų6262.8 Ų62.843%0.43437%0.372SS..Hα-helixtrans-61.5-43.1172.2-59.70000111.7G708 E709 M715 M716G708-S712 WeakPolarHBondContact O-CB 3.43Å; G708-S712 PolarHBondContact O-N 3.5Å; G708-S712 PolarHBondContact O-OG 3.21Å; E709-S712 PolarHBondContact O-N 2.7Å; S712-M715 PolarHBondContact O-N 2.67Å; S712-M716 VanDerWaalsContact O-CB 3.31Å; S712-M716 WeakPolarHBondContact O-CB 3.4Å; S712-M716 PolarHBondContact O-N 3.36Å
713A81Confident78.9Confident1 Ų159.8 Ų59.81%0.00834%0.34CS..Hα-helixtrans-60.1-46.4174.600000111.8I688 V691 F692 E709 D711 M715 M716 F717I688-A713 HydrophobicContact CG2-CB 3.64Å; I688-A713 WeakPolarHBondContact O-CB 3.33Å; V691-A713 HydrophobicContact CG1-CB 4.33Å; F692-A713 HydrophobicContact CB-CB 3.93Å; F692-A713 HydrophobicContact CD2-CB 4.42Å; F692-A713 WeakPolarHBondContact CD2-O 3.18Å; E709-A713 WeakPolarHBondContact O-CB 3.37Å; E709-A713 PolarHBondContact O-N 3.04Å; D711-A713 VanDerWaalsContact C-N 3.34Å; A713-M715 PolarHBondContact O-N 3.38Å; A713-M716 PolarHBondContact O-N 3.49Å; A713-F717 PolarHBondContact O-N 2.7Å
714K78Confident78.1Confident101 Ų10157.9 Ų57.944%0.43933%0.327SS..Hα-helixtrans-61.7-42.2172.8-71.7167.4-168.2162.60111.3C710 D711 M716 K718C710-K714 VanDerWaalsContact O-CG 3.28Å; C710-K714 WeakPolarHBondContact O-CG 3.4Å; C710-K714 PolarHBondContact O-N 3.16Å; D711-K714 PolarHBondContact O-N 2.68Å; D711-K714 IonicContact OD1-NZ 3.51Å; K714-M716 VanDerWaalsContact C-N 3.33Å; K714-M716 PolarHBondContact O-N 2.89Å; K714-K718 WeakPolarHBondContact O-CA 3.46Å; K714-K718 WeakPolarHBondContact O-CB 3.27Å; K714-K718 PolarHBondContact O-N 2.88Å
715M72.8Confident77.2Confident167 Ų16755.9 Ų55.982%0.82331%0.309SS*.Hα-helixtrans-66.2-36.1178.6-71.2-164.1-165.700112.7D711 S712 A713D711-M715 WeakPolarHBondContact O-CG 3.28Å; D711-M715 PolarHBondContact O-N 2.77Å; S712-M715 PolarHBondContact O-N 2.67Å; A713-M715 PolarHBondContact O-N 3.38Å
716M69.7Low76.5Confident77 Ų7754.9 Ų54.938%0.37930%0.303SS..Hα-helixtrans-81.2-42.4-174.3-173.3162.8-179.200113.2N685 S712 A713 K714 R720N685-M716 HydrophobicContact CB-CE 4.26Å; N685-M716 VanDerWaalsContact ND2-CE 3.31Å; N685-M716 WeakPolarHBondContact ND2-CE 3.49Å; S712-M716 VanDerWaalsContact O-CB 3.31Å; S712-M716 WeakPolarHBondContact O-CB 3.4Å; S712-M716 PolarHBondContact O-N 3.36Å; A713-M716 PolarHBondContact O-N 3.49Å; K714-M716 VanDerWaalsContact C-N 3.33Å; K714-M716 PolarHBondContact O-N 2.89Å; M716-R720 WeakPolarHBondContact O-CD 3.4Å
717F71.3Confident75.9Confident21 Ų2151.2 Ų51.29%0.09228%0.284CS..Hα-helixtrans-110.2-19.9-171.1-63-71.1000113.9I688 Y689 F692 A713 G719 R720I688-F717 HydrophobicContact CB-CE2 4.29Å; I688-F717 HydrophobicContact CG2-CD2 4.24Å; I688-F717 HydrophobicContact CG2-CE2 3.79Å; Y689-F717 AromaticContact CD2-CE1 3.98Å; Y689-F717 HydrophobicContact CD2-CE1 3.98Å; Y689-F717 AromaticContact CD2-CZ 3.99Å; Y689-F717 HydrophobicContact CD2-CZ 3.99Å; F692-F717 HydrophobicContact CB-CB 4.4Å; F692-F717 HydrophobicContact CB-CD2 4.02Å; F692-F717 HydrophobicContact CD1-CB 3.61Å; F692-F717 HydrophobicContact CD1-CG 4.26Å; F692-F717 HydrophobicContact CD2-CB 3.69Å; F692-F717 HydrophobicContact CE1-CB 3.65Å; F692-F717 HydrophobicContact CE2-CB 3.73Å; F692-F717 HydrophobicContact CG-CB 3.62Å; F692-F717 HydrophobicContact CG-CD2 4.16Å; F692-F717 HydrophobicContact CG-CG 4.21Å; F692-F717 HydrophobicContact CZ-CB 3.71Å; A713-F717 PolarHBondContact O-N 2.7Å; F717-G719 PolarHBondContact O-N 3.31Å; F717-R720 WeakPolarHBondContact O-CB 3.48Å; F717-R720 PolarHBondContact O-N 2.72Å; F717-R720 VanDerWaalsContact O-N 3.09Å
718K70.1Confident75.4Confident146 Ų14651.7 Ų51.764%0.63528%0.276SS*.THydrogen-bonded Turntrans-68.7120.9-179.4-166.3179.5179.5177.90111.1F692 K714 R720F692-K718 HydrophobicContact CE2-CB 4.19Å; K714-K718 WeakPolarHBondContact O-CA 3.46Å; K714-K718 WeakPolarHBondContact O-CB 3.27Å; K714-K718 PolarHBondContact O-N 2.88Å; K718-R720 VanDerWaalsContact C-N 3.28Å
719G70.7Confident74.8Confident21 Ų2155.4 Ų55.422%0.21628%0.281CS..THydrogen-bonded Turntrans7712.3-177.600000113.5F717 I748 R749 M750F717-G719 PolarHBondContact O-N 3.31Å; G719-I748 CarbonylContact O-C 3.31Å; G719-I748 WeakPolarHBondContact O-CA 3.43Å; G719-R749 PolarHBondContact O-N 3.42Å; G719-M750 PolarHBondContact O-N 3.34Å
720R78.8Confident74.1Confident66 Ų6656.9 Ų56.925%0.24929%0.29CS..EExtended strand (participates in β ladder)trans-92.6119.8170.6-155.1169-167.4-108.8-5108.7M716 F717 K718 T722 M750 D752M716-R720 WeakPolarHBondContact O-CD 3.4Å; F717-R720 WeakPolarHBondContact O-CB 3.48Å; F717-R720 PolarHBondContact O-N 2.72Å; F717-R720 VanDerWaalsContact O-N 3.09Å; K718-R720 VanDerWaalsContact C-N 3.28Å; R720-T722 PolarHBondContact O-N 3.02Å; R720-M750 CarbonylContact C-O 3.57Å; R720-M750 WeakPolarHBondContact CA-O 3.42Å; R720-M750 HydrophobicContact CG-CB 4.42Å; R720-M750 HydrophobicContact CG-CE 3.97Å; R720-M750 HydrophobicContact CG-CG 4.34Å; R720-D752 HydrophobicContact CG-CB 4.44Å; R720-D752 IonicContact CZ-OD2 3.18Å; R720-D752 IonicContact NH1-OD2 3.52Å; R720-D752 PolarHBondContact NH1-OD2 3.19Å; R720-D752 VanDerWaalsContact NH2-CG 3.3Å; R720-D752 IonicContact NH2-OD2 3.49Å; R720-D752 PolarHBondContact NH2-OD2 3.14Å
721L79.1Confident73.2Confident5 Ų558.3 Ų58.33%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-82.5101.4177.4178.464000109.2V726 L743 I748 M750 V751 D752 L753 L766L721-V726 HydrophobicContact CD1-CG2 3.89Å; L721-V726 HydrophobicContact CG-CG2 4.48Å; L721-L743 HydrophobicContact CD1-CD1 3.45Å; L721-L743 VanDerWaalsContact CD1-CD1 3.45Å; L721-L743 HydrophobicContact CD2-CD1 3.58Å; L721-L743 HydrophobicContact CG-CD1 4.18Å; L721-I748 HydrophobicContact CB-CD1 4.34Å; L721-I748 HydrophobicContact CB-CG2 3.86Å; L721-I748 HydrophobicContact CD1-CD1 4.35Å; L721-I748 HydrophobicContact CD2-CD1 4.27Å; L721-M750 PolarHBondContact N-O 2.97Å; L721-V751 HydrophobicContact CB-CB 4.43Å; L721-V751 HydrophobicContact CB-CG1 4.33Å; L721-V751 HydrophobicContact CB-CG2 4.18Å; L721-V751 HydrophobicContact CD2-CG1 3.99Å; L721-V751 HydrophobicContact CD2-CG2 4.08Å; L721-V751 HydrophobicContact CG-CG1 4.39Å; L721-D752 CarbonylContact O-C 3.51Å; L721-D752 PolarHBondContact O-N 3.04Å; L721-L753 HydrophobicContact CD2-CD1 4.33Å; L721-L753 HydrophobicContact CG-CD2 4.32Å; L721-L766 HydrophobicContact CD2-CD2 4.14Å
722T78.7Confident72.4Confident22 Ų2261.1 Ų61.114%0.13532%0.319CS..EExtended strand (participates in β ladder)trans-99.1163.7174.459.40000111.5R720 D724 S725 V726R720-T722 PolarHBondContact O-N 3.02Å; T722-D724 PolarHBondContact O-N 3.29Å; T722-S725 WeakPolarHBondContact O-CB 3.44Å; T722-S725 PolarHBondContact O-N 2.67Å; T722-S725 PolarHBondContact OG1-N 2.95Å; T722-S725 PolarHBondContact OG1-OG 2.95Å; T722-V726 PolarHBondContact O-N 2.99Å
723A73.3Confident71.5Confident15 Ų1561 Ų6112%0.12432%0.319CS..Hα-helixtrans-54.9-37.9173.300000111.7S725 V726 V727 L757 F758A723-S725 PolarHBondContact O-N 3.1Å; A723-V726 WeakPolarHBondContact O-CB 3.33Å; A723-V726 PolarHBondContact O-N 3.37Å; A723-V727 PolarHBondContact O-N 2.86Å; A723-V727 VanDerWaalsContact O-N 3.13Å; A723-L757 HydrophobicContact CB-CD1 3.87Å; A723-F758 HydrophobicContact CB-CE2 4.1Å; A723-F758 HydrophobicContact CB-CZ 4.39Å
724D70.4Confident70.9Confident33 Ų3364.4 Ų64.418%0.17634%0.337CS..Hα-helixtrans-67.6-35.3177.8-55.2-40000113S657 Y661 Y689 T722 V726 V727 E728S657-D724 PolarHBondContact OG-OD1 2.81Å; Y661-D724 HydrophobicContact CE1-CB 4.32Å; Y661-D724 HydrophobicContact CE2-CB 3.63Å; Y661-D724 WeakPolarHBondContact OH-CB 3.49Å; Y661-D724 PolarHBondContact OH-OD2 3.42Å; Y689-D724 PolarHBondContact OH-OD2 3.01Å; T722-D724 PolarHBondContact O-N 3.29Å; D724-V726 PolarHBondContact O-N 3.43Å; D724-V727 WeakPolarHBondContact O-CB 3.35Å; D724-V727 PolarHBondContact O-N 3.38Å; D724-V727 VanDerWaalsContact O-N 3.11Å; D724-E728 PolarHBondContact O-N 2.8Å
725S72.2Confident70.6Confident26 Ų2661.6 Ų61.618%0.18232%0.323CS..Hα-helixtrans-63.9-31.2173.8-59.50000111.9T722 A723 K729T722-S725 WeakPolarHBondContact O-CB 3.44Å; T722-S725 PolarHBondContact O-N 2.67Å; T722-S725 PolarHBondContact OG1-N 2.95Å; T722-S725 PolarHBondContact OG1-OG 2.95Å; A723-S725 PolarHBondContact O-N 3.1Å; S725-K729 PolarHBondContact O-N 3.27Å
726V74.1Confident70.6Confident1 Ų160.2 Ų60.21%0.00631%0.313CS..Hα-helixtrans-69.8-40.3173.2177.60000110.3L721 T722 A723 D724 K729 L730 I738 L741 L753 F758L721-V726 HydrophobicContact CD1-CG2 3.89Å; L721-V726 HydrophobicContact CG-CG2 4.48Å; T722-V726 PolarHBondContact O-N 2.99Å; A723-V726 WeakPolarHBondContact O-CB 3.33Å; A723-V726 PolarHBondContact O-N 3.37Å; D724-V726 PolarHBondContact O-N 3.43Å; V726-K729 PolarHBondContact O-N 2.79Å; V726-L730 HydrophobicContact CG1-CD1 3.49Å; V726-L730 VanDerWaalsContact CG1-CD1 3.49Å; V726-L730 HydrophobicContact CG1-CG 4.17Å; V726-L730 VanDerWaalsContact O-CB 3.3Å; V726-L730 WeakPolarHBondContact O-CB 3.23Å; V726-L730 WeakPolarHBondContact O-CG 3.28Å; V726-L730 PolarHBondContact O-N 3.46Å; V726-I738 HydrophobicContact CG1-CD1 4.29Å; V726-L741 HydrophobicContact CG1-CD1 4.08Å; V726-L741 HydrophobicContact CG2-CD2 4.29Å; V726-L753 HydrophobicContact CG2-CD2 4.13Å; V726-F758 HydrophobicContact CB-CZ 4.4Å; V726-F758 HydrophobicContact CG1-CE1 4.25Å; V726-F758 HydrophobicContact CG1-CZ 4.35Å; V726-F758 HydrophobicContact CG2-CZ 4.34Å
727V72Confident70.9Confident27 Ų2763.3 Ų63.316%0.16433%0.326CS..Hα-helixtrans-63.3-41.3173.5179.40000111.7A723 D724 K729 G731 Y735A723-V727 PolarHBondContact O-N 2.86Å; A723-V727 VanDerWaalsContact O-N 3.13Å; D724-V727 WeakPolarHBondContact O-CB 3.35Å; D724-V727 PolarHBondContact O-N 3.38Å; D724-V727 VanDerWaalsContact O-N 3.11Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 3.22Å; V727-G731 VanDerWaalsContact O-CA 3.3Å; V727-G731 WeakPolarHBondContact O-CA 3.35Å; V727-G731 PolarHBondContact O-N 3.19Å; V727-Y735 HydrophobicContact CG2-CE1 3.53Å; V727-Y735 WeakPolarHBondContact CG2-OH 3.49Å
728E68.7Low71.3Confident108 Ų10863.4 Ų63.451%0.50533%0.328SS..Hα-helixtrans-58.4-44.2177.4-179.5173.7-158.700111.5K664 D724K664-E728 IonicContact NZ-OE1 2.75Å; K664-E728 PolarHBondContact NZ-OE1 3.26Å; K664-E728 IonicContact NZ-OE2 2.71Å; D724-E728 PolarHBondContact O-N 2.8Å
729K69.4Low71.9Confident118 Ų11859.5 Ų59.551%0.51332%0.316SS..Hα-helixtrans-80.6-34.8-176.9-74.5179.2175.7-85.30113.9S725 V726 V727 L743 C746S725-K729 PolarHBondContact O-N 3.27Å; V726-K729 PolarHBondContact O-N 2.79Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 3.22Å; K729-L743 HydrophobicContact CB-CD2 4.37Å; K729-L743 HydrophobicContact CD-CD2 3.33Å; K729-L743 HydrophobicContact CG-CD2 4.5Å; K729-C746 VanDerWaalsContact CE-SG 3.59Å; K729-C746 PolarHBondContact NZ-SG 3.46Å
730L69.3Low72.7Confident71 Ų7163.5 Ų63.537%0.37233%0.329SS..Hα-helixtrans-92.5-29.7-177.2-64.6179.3000112.4V726 H732 I738 L741V726-L730 HydrophobicContact CG1-CD1 3.49Å; V726-L730 VanDerWaalsContact CG1-CD1 3.49Å; V726-L730 HydrophobicContact CG1-CG 4.17Å; V726-L730 VanDerWaalsContact O-CB 3.3Å; V726-L730 WeakPolarHBondContact O-CB 3.23Å; V726-L730 WeakPolarHBondContact O-CG 3.28Å; V726-L730 PolarHBondContact O-N 3.46Å; L730-H732 VanDerWaalsContact C-N 3.33Å; L730-H732 PolarHBondContact O-CE1 2.86Å; L730-H732 PolarHBondContact O-N 2.88Å; L730-H732 PolarHBondContact O-ND1 2.75Å; L730-I738 HydrophobicContact CD1-CD1 3.73Å; L730-L741 HydrophobicContact CD1-CD1 4.03Å
731G61.8Low73.1Confident56 Ų5660.6 Ų60.658%0.57732%0.318SS*.  trans80.53.1178.400000115.8V727V727-G731 VanDerWaalsContact O-CA 3.3Å; V727-G731 WeakPolarHBondContact O-CA 3.35Å; V727-G731 PolarHBondContact O-N 3.19Å
732H60.9Low73.4Confident139 Ų13963.8 Ų63.864%0.64434%0.341SS*.  trans-128143.3-174.9-48.963000109.8L730L730-H732 VanDerWaalsContact C-N 3.33Å; L730-H732 PolarHBondContact O-CE1 2.86Å; L730-H732 PolarHBondContact O-N 2.88Å; L730-H732 PolarHBondContact O-ND1 2.75Å
733S60Low73.7Confident61 Ų6163 Ų6343%0.42734%0.336SS..  trans-97.511.3-177.748.70000114.4R658 Y735R658-S733 PolarHBondContact NH1-OG 3.24Å; S733-Y735 WeakPolarHBondContact O-CD2 3.35Å; S733-Y735 PolarHBondContact O-N 3.18Å
734N67.5Low74.3Confident72 Ų7266.8 Ų66.839%0.38535%0.351SS..  trans-96.477.4-178-158.30.6000112K736 E737N734-K736 PolarHBondContact O-N 2.86Å; N734-E737 PolarHBondContact ND2-OE1 3.49Å; N734-E737 PolarHBondContact ND2-OE2 3.08Å; N734-E737 PolarHBondContact O-N 3.18Å
735Y72.4Confident74.9Confident41 Ų4168.6 Ų68.616%0.16137%0.367CS..G310 helixtrans-62.5-25-177-51.4-75.8000113.9V727 S733 E737 I738 L757 F758V727-Y735 HydrophobicContact CG2-CE1 3.53Å; V727-Y735 WeakPolarHBondContact CG2-OH 3.49Å; S733-Y735 WeakPolarHBondContact O-CD2 3.35Å; S733-Y735 PolarHBondContact O-N 3.18Å; Y735-E737 VanDerWaalsContact C-N 3.3Å; Y735-E737 PolarHBondContact O-N 3.36Å; Y735-I738 HydrophobicContact CD1-CD1 4.43Å; Y735-I738 PolarHBondContact O-N 3.38Å; Y735-L757 WeakPolarHBondContact CB-O 3.23Å; Y735-L757 HydrophobicContact CD2-CB 4.43Å; Y735-L757 HydrophobicContact CD2-CD2 4.24Å; Y735-L757 HydrophobicContact CG-CB 4.33Å; Y735-F758 AromaticContact CD1-CE1 3.83Å; Y735-F758 HydrophobicContact CD1-CE1 3.83Å; Y735-F758 HydrophobicContact CD1-CE2 4.47Å; Y735-F758 AromaticContact CD1-CZ 3.67Å; Y735-F758 HydrophobicContact CD1-CZ 3.67Å; Y735-F758 HydrophobicContact CE1-CZ 4.19Å; Y735-F758 HydrophobicContact CG-CZ 4.47Å
736K73.1Confident75.3Confident138 Ų13869 Ų6960%0.637%0.369SS*.G310 helixtrans-70.7-22.2-178.1-67.8-174.4178.9-179.20113.6N734 N760N734-K736 PolarHBondContact O-N 2.86Å; K736-N760 PolarHBondContact O-ND2 3.4Å
737E74.5Confident75.7Confident143 Ų14372.5 Ų72.567%0.66839%0.393SS*.G310 helixtrans-85.9-14.5177.9-71.9175.5177.200112.7N734 Y735 T739N734-E737 PolarHBondContact ND2-OE1 3.49Å; N734-E737 PolarHBondContact ND2-OE2 3.08Å; N734-E737 PolarHBondContact O-N 3.18Å; Y735-E737 VanDerWaalsContact C-N 3.3Å; Y735-E737 PolarHBondContact O-N 3.36Å; E737-T739 PolarHBondContact O-N 2.94Å; E737-T739 VanDerWaalsContact O-N 3.08Å
738I80Confident76.3Confident23 Ų2371.6 Ų71.612%0.11839%0.387CS..  trans-76.1104.8-175.5-52.4176.4000109.4V726 L730 Y735 L741 F758 N760 L761V726-I738 HydrophobicContact CG1-CD1 4.29Å; L730-I738 HydrophobicContact CD1-CD1 3.73Å; Y735-I738 HydrophobicContact CD1-CD1 4.43Å; Y735-I738 PolarHBondContact O-N 3.38Å; I738-L741 HydrophobicContact CG2-CB 4.48Å; I738-F758 HydrophobicContact CD1-CE1 4.17Å; I738-N760 CarbonylContact O-C 3.2Å; I738-L761 HydrophobicContact CG2-CD1 4.09Å; I738-L761 WeakPolarHBondContact O-CA 3.32Å; I738-L761 PolarHBondContact O-N 2.9Å
739T83.6Confident77Confident63 Ų6374.1 Ų74.139%0.38739%0.392SS..  trans-97.9-25175.654.60000112.9E737 N760 C762 K763E737-T739 PolarHBondContact O-N 2.94Å; E737-T739 VanDerWaalsContact O-N 3.08Å; T739-N760 WeakPolarHBondContact CA-O 3.38Å; T739-N760 HydrophobicContact CG2-CB 4.46Å; T739-C762 PolarHBondContact O-N 3.26Å; T739-K763 PolarHBondContact O-N 2.88Å
740H86.6Confident77.5Confident106 Ų10672 Ų7249%0.49139%0.385SS..EExtended strand (participates in β ladder)trans-134.2126.4-177.2-62.875.7000109K763H740-K763 WeakPolarHBondContact CA-O 3.07Å; H740-K763 VanDerWaalsContact CD2-CD 3.44Å; H740-K763 WeakPolarHBondContact CD2-CD 3.18Å; H740-K763 VanDerWaalsContact NE2-CD 3.29Å; H740-K763 WeakPolarHBondContact NE2-CD 3.48Å; H740-K763 VanDerWaalsContact NE2-CE 3.29Å; H740-K763 WeakPolarHBondContact NE2-CE 3.22Å; H740-K763 PolarHBondContact NE2-NZ 3.21Å; H740-K763 VanDerWaalsContact NE2-NZ 3.15Å
741L86.6Confident78.2Confident5 Ų568.8 Ų68.83%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-122.4119.4177.3-179.663.7000109.3V726 L730 I738 L743 L761 K763 I764 N765V726-L741 HydrophobicContact CG1-CD1 4.08Å; V726-L741 HydrophobicContact CG2-CD2 4.29Å; L730-L741 HydrophobicContact CD1-CD1 4.03Å; I738-L741 HydrophobicContact CG2-CB 4.48Å; L741-L743 HydrophobicContact CD1-CD1 3.99Å; L741-L743 HydrophobicContact CD1-CD2 4.45Å; L741-L743 HydrophobicContact CD1-CG 3.97Å; L741-L743 HydrophobicContact CD2-CD1 3.92Å; L741-L743 HydrophobicContact CG-CD1 3.94Å; L741-L743 HydrophobicContact CG-CG 4.06Å; L741-L761 HydrophobicContact CB-CD1 3.78Å; L741-L761 HydrophobicContact CB-CD2 4.45Å; L741-L761 HydrophobicContact CD2-CD2 4.42Å; L741-K763 PolarHBondContact N-O 3.15Å; L741-I764 CarbonylContact O-C 3.59Å; L741-I764 WeakPolarHBondContact O-CA 3.24Å; L741-N765 PolarHBondContact O-N 2.85Å
742S87.3Confident79Confident72 Ų7269.5 Ų69.550%0.50336%0.359SS..EExtended strand (participates in β ladder)trans-117.6120.9175.7-172.20000110.5
743L83.8Confident79.9Confident6 Ų663 Ų633%0.03133%0.329CS..  trans-139.759.8-175.5-67177000110.1L721 K729 L741 I748 N765 L766 N769L721-L743 HydrophobicContact CD1-CD1 3.45Å; L721-L743 VanDerWaalsContact CD1-CD1 3.45Å; L721-L743 HydrophobicContact CD2-CD1 3.58Å; L721-L743 HydrophobicContact CG-CD1 4.18Å; K729-L743 HydrophobicContact CB-CD2 4.37Å; K729-L743 HydrophobicContact CD-CD2 3.33Å; K729-L743 HydrophobicContact CG-CD2 4.5Å; L741-L743 HydrophobicContact CD1-CD1 3.99Å; L741-L743 HydrophobicContact CD1-CD2 4.45Å; L741-L743 HydrophobicContact CD1-CG 3.97Å; L741-L743 HydrophobicContact CD2-CD1 3.92Å; L741-L743 HydrophobicContact CG-CD1 3.94Å; L741-L743 HydrophobicContact CG-CG 4.06Å; L743-I748 HydrophobicContact CB-CD1 4.06Å; L743-I748 HydrophobicContact CD1-CD1 4.36Å; L743-N765 PolarHBondContact N-O 3.12Å; L743-L766 HydrophobicContact CB-CD2 3.84Å; L743-L766 HydrophobicContact CD1-CD2 4.44Å; L743-N769 PolarHBondContact O-ND2 3.18Å
744Q86.3Confident80.6Confident93 Ų9362.8 Ų62.844%0.43533%0.327SS..THydrogen-bonded Turntrans-72.6146.5178.9-65.5175.3-3000111.5C746 N765 E767Q744-C746 PolarHBondContact O-N 3.34Å; Q744-C746 VanDerWaalsContact O-N 3.09Å; Q744-C746 PolarHBondContact O-SG 3.37Å; Q744-N765 WeakPolarHBondContact CG-OD1 3.49Å; Q744-N765 PolarHBondContact NE2-ND2 2.82Å; Q744-E767 WeakPolarHBondContact CA-O 3.34Å; Q744-E767 HydrophobicContact CG-CB 4.31Å; Q744-E767 PolarHBondContact NE2-OE2 3.28Å
745S82.3Confident80.7Confident72 Ų7261.5 Ų61.550%0.50332%0.322SS..THydrogen-bonded Turntrans58.228.4170.3-36.50000114.7E767 Q768S745-E767 PolarHBondContact N-O 2.8Å; S745-Q768 VanDerWaalsContact CA-O 3.29Å; S745-Q768 WeakPolarHBondContact CA-O 3.15Å; S745-Q768 PolarHBondContact OG-OE1 3.11Å
746C81.2Confident80.7Confident34 Ų3465.7 Ų65.723%0.2335%0.348CS..SBendtrans-92.86.1-175-69.10000113.7K729 Q744 I748 N769K729-C746 VanDerWaalsContact CE-SG 3.59Å; K729-C746 PolarHBondContact NZ-SG 3.46Å; Q744-C746 PolarHBondContact O-N 3.34Å; Q744-C746 VanDerWaalsContact O-N 3.09Å; Q744-C746 PolarHBondContact O-SG 3.37Å; C746-I748 HydrophobicContact CB-CD1 3.61Å; C746-I748 HydrophobicContact CB-CG1 3.65Å; C746-I748 PolarHBondContact O-N 3.07Å; C746-N769 WeakPolarHBondContact CA-OD1 3.34Å; C746-N769 PolarHBondContact N-OD1 3.48Å; C746-N769 VanDerWaalsContact N-OD1 3.09Å
747S82.9Confident80.8Confident74 Ų7462.2 Ų62.252%0.51734%0.335SS..  trans54.629.1-175.4-64.20000114.3N769S747-N769 PolarHBondContact N-OD1 3.18Å; S747-N769 VanDerWaalsContact N-OD1 3.08Å
748I84.5Confident81Confident8 Ų855.4 Ų55.44%0.04130%0.303CS..  trans-70131.9-178.2-60.2164.1000109.4G719 L721 L743 C746 V751 L766 N769 N770 L771G719-I748 CarbonylContact O-C 3.31Å; G719-I748 WeakPolarHBondContact O-CA 3.43Å; L721-I748 HydrophobicContact CB-CD1 4.34Å; L721-I748 HydrophobicContact CB-CG2 3.86Å; L721-I748 HydrophobicContact CD1-CD1 4.35Å; L721-I748 HydrophobicContact CD2-CD1 4.27Å; L743-I748 HydrophobicContact CB-CD1 4.06Å; L743-I748 HydrophobicContact CD1-CD1 4.36Å; C746-I748 HydrophobicContact CB-CD1 3.61Å; C746-I748 HydrophobicContact CB-CG1 3.65Å; C746-I748 PolarHBondContact O-N 3.07Å; I748-V751 HydrophobicContact CG2-CG2 4.23Å; I748-L766 HydrophobicContact CD1-CD2 3.62Å; I748-N769 HydrophobicContact CB-CB 4.22Å; I748-N769 WeakPolarHBondContact CB-OD1 3.42Å; I748-N769 PolarHBondContact N-OD1 2.96Å; I748-N770 CarbonylContact O-C 3.22Å; I748-N770 VanDerWaalsContact O-C 3.22Å; I748-N770 VanDerWaalsContact O-CA 3.31Å; I748-N770 WeakPolarHBondContact O-CA 3.39Å; I748-N770 PolarHBondContact O-N 3.29Å; I748-L771 HydrophobicContact CG2-CD2 3.95Å; I748-L771 PolarHBondContact O-N 3.25Å
749R82.6Confident80.9Confident162 Ų16256.6 Ų56.661%0.61131%0.311SS*.  trans-107.8-31.7179.4-66.6179.6-178.7-123.4-1.7112.9G719 N770G719-R749 PolarHBondContact O-N 3.42Å; R749-N770 HydrophobicContact CG-CB 3.89Å
750M81.4Confident80.8Confident73 Ų7356.6 Ų56.636%0.3631%0.309SS..EExtended strand (participates in β ladder)trans-146.6144.6-177.3172.1170.835.100109.5G719 R720 L721G719-M750 PolarHBondContact O-N 3.34Å; R720-M750 CarbonylContact C-O 3.57Å; R720-M750 WeakPolarHBondContact CA-O 3.42Å; R720-M750 HydrophobicContact CG-CB 4.42Å; R720-M750 HydrophobicContact CG-CE 3.97Å; R720-M750 HydrophobicContact CG-CG 4.34Å; L721-M750 PolarHBondContact N-O 2.97Å
751V82.8Confident80.8Confident3 Ų351.6 Ų51.62%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-108.5131.8174.1-178.50000109L721 I748 L753 L766 L771 S775 G776 L777L721-V751 HydrophobicContact CB-CB 4.43Å; L721-V751 HydrophobicContact CB-CG1 4.33Å; L721-V751 HydrophobicContact CB-CG2 4.18Å; L721-V751 HydrophobicContact CD2-CG1 3.99Å; L721-V751 HydrophobicContact CD2-CG2 4.08Å; L721-V751 HydrophobicContact CG-CG1 4.39Å; I748-V751 HydrophobicContact CG2-CG2 4.23Å; V751-L753 HydrophobicContact CG1-CB 4.41Å; V751-L753 HydrophobicContact CG1-CD1 3.72Å; V751-L753 HydrophobicContact CG1-CG 3.63Å; V751-L766 HydrophobicContact CG2-CD1 3.99Å; V751-L771 HydrophobicContact CG2-CD2 4.02Å; V751-S775 VanDerWaalsContact CB-O 3.27Å; V751-S775 WeakPolarHBondContact CB-O 3.09Å; V751-S775 PolarHBondContact N-OG 2.97Å; V751-S775 VanDerWaalsContact N-OG 3.13Å; V751-S775 CarbonylContact O-C 3.47Å; V751-S775 VanDerWaalsContact O-C 3.31Å; V751-G776 WeakPolarHBondContact O-CA 3.44Å; V751-G776 PolarHBondContact O-N 3.23Å; V751-L777 HydrophobicContact CB-CD2 4.27Å; V751-L777 HydrophobicContact CB-CG 4.21Å; V751-L777 HydrophobicContact CG1-CD2 3.84Å; V751-L777 HydrophobicContact CG1-CG 4.26Å; V751-L777 HydrophobicContact CG2-CD2 4.27Å; V751-L777 HydrophobicContact CG2-CG 4.27Å
752D79.4Confident80.8Confident71 Ų7153 Ų5338%0.3830%0.296SS..EExtended strand (participates in β ladder)trans-136.880.4176-169.521.9000109.3R720 L721R720-D752 HydrophobicContact CG-CB 4.44Å; R720-D752 IonicContact CZ-OD2 3.18Å; R720-D752 IonicContact NH1-OD2 3.52Å; R720-D752 PolarHBondContact NH1-OD2 3.19Å; R720-D752 VanDerWaalsContact NH2-CG 3.3Å; R720-D752 IonicContact NH2-OD2 3.49Å; R720-D752 PolarHBondContact NH2-OD2 3.14Å; L721-D752 CarbonylContact O-C 3.51Å; L721-D752 PolarHBondContact O-N 3.04Å
753L79.4Confident81.1Confident4 Ų453.5 Ų53.52%0.02129%0.289CS..  trans-108.4130.3-180-63.7175.3000109L721 V726 V751 P755 F758 L780L721-L753 HydrophobicContact CD2-CD1 4.33Å; L721-L753 HydrophobicContact CG-CD2 4.32Å; V726-L753 HydrophobicContact CG2-CD2 4.13Å; V751-L753 HydrophobicContact CG1-CB 4.41Å; V751-L753 HydrophobicContact CG1-CD1 3.72Å; V751-L753 HydrophobicContact CG1-CG 3.63Å; L753-P755 WeakPolarHBondContact O-CD 3.32Å; L753-F758 HydrophobicContact CB-CD2 4.09Å; L753-F758 HydrophobicContact CB-CE2 4.14Å; L753-F758 HydrophobicContact CD2-CD2 4.47Å; L753-F758 HydrophobicContact CD2-CE2 3.75Å; L753-F758 HydrophobicContact CD2-CZ 4.08Å; L753-F758 HydrophobicContact CG-CE2 4.35Å; L753-L780 HydrophobicContact CD1-CD1 4.28Å
754C73.7Confident81.4Confident56 Ų5653.2 Ų53.238%0.37829%0.288SS..  trans-70123.1175.1-1730000109.9D756 L757C754-D756 PolarHBondContact O-N 3.11Å; C754-L757 HydrophobicContact CB-CD1 4.04Å; C754-L757 HydrophobicContact CB-CG 4.17Å; C754-L757 PolarHBondContact O-N 3.47Å
755P70.3Confident81.7Confident44 Ų4450 Ų5029%0.28627%0.273SS..THydrogen-bonded Turntrans-58.4-33.5-177.3-26.235.7000114L753 L757 F758 H779L753-P755 WeakPolarHBondContact O-CD 3.32Å; P755-L757 PolarHBondContact O-N 3.48Å; P755-F758 PolarHBondContact O-N 2.82Å; P755-H779 HydrophobicContact CG-CB 3.64Å
756D73.5Confident82.1Confident130 Ų13046.5 Ų46.570%0.69525%0.249SC*.THydrogen-bonded Turntrans-67.6-25.5-176.1-60.9-28.7000113C754C754-D756 PolarHBondContact O-N 3.11Å
757L74.7Confident82.5Confident64 Ų6446.7 Ų46.734%0.33525%0.246SC..THydrogen-bonded Turntrans-81.2-34.8179-62.3177.6000111.9A723 Y735 C754 P755A723-L757 HydrophobicContact CB-CD1 3.87Å; Y735-L757 WeakPolarHBondContact CB-O 3.23Å; Y735-L757 HydrophobicContact CD2-CB 4.43Å; Y735-L757 HydrophobicContact CD2-CD2 4.24Å; Y735-L757 HydrophobicContact CG-CB 4.33Å; C754-L757 HydrophobicContact CB-CD1 4.04Å; C754-L757 HydrophobicContact CB-CG 4.17Å; C754-L757 PolarHBondContact O-N 3.47Å; P755-L757 PolarHBondContact O-N 3.48Å
758F77.8Confident82.8Confident1 Ų148.5 Ų48.50%0.00425%0.247CC..  trans-110.155.3-169.8-63.6-82.8000113.1A723 V726 Y735 I738 L753 P755 N760 L761 L780A723-F758 HydrophobicContact CB-CE2 4.1Å; A723-F758 HydrophobicContact CB-CZ 4.39Å; V726-F758 HydrophobicContact CB-CZ 4.4Å; V726-F758 HydrophobicContact CG1-CE1 4.25Å; V726-F758 HydrophobicContact CG1-CZ 4.35Å; V726-F758 HydrophobicContact CG2-CZ 4.34Å; Y735-F758 AromaticContact CD1-CE1 3.83Å; Y735-F758 HydrophobicContact CD1-CE1 3.83Å; Y735-F758 HydrophobicContact CD1-CE2 4.47Å; Y735-F758 AromaticContact CD1-CZ 3.67Å; Y735-F758 HydrophobicContact CD1-CZ 3.67Å; Y735-F758 HydrophobicContact CE1-CZ 4.19Å; Y735-F758 HydrophobicContact CG-CZ 4.47Å; I738-F758 HydrophobicContact CD1-CE1 4.17Å; L753-F758 HydrophobicContact CB-CD2 4.09Å; L753-F758 HydrophobicContact CB-CE2 4.14Å; L753-F758 HydrophobicContact CD2-CD2 4.47Å; L753-F758 HydrophobicContact CD2-CE2 3.75Å; L753-F758 HydrophobicContact CD2-CZ 4.08Å; L753-F758 HydrophobicContact CG-CE2 4.35Å; P755-F758 PolarHBondContact O-N 2.82Å; F758-N760 PolarHBondContact O-N 3.49Å; F758-L761 HydrophobicContact CB-CB 4.22Å; F758-L761 HydrophobicContact CB-CD2 4.24Å; F758-L761 HydrophobicContact CD1-CD2 4.21Å; F758-L761 HydrophobicContact CG-CD2 4.44Å; F758-L780 HydrophobicContact CB-CD2 3.99Å
759T78.1Confident83Confident47 Ų4748.2 Ų48.229%0.28825%0.245SC..THydrogen-bonded Turntrans-73.8-18.4-172.453.40000115.5K782T759-K782 WeakPolarHBondContact O-CD 3.47Å; T759-K782 WeakPolarHBondContact O-CE 3.27Å; T759-K782 PolarHBondContact O-NZ 2.89Å; T759-K782 VanDerWaalsContact O-NZ 3.09Å
760N82.1Confident83.2Confident63 Ų6343.2 Ų43.234%0.33723%0.231SC..THydrogen-bonded Turntrans-113.14.6-177.5-70.5-31.6000113.9K736 I738 T739 F758 C762 K782K736-N760 PolarHBondContact O-ND2 3.4Å; I738-N760 CarbonylContact O-C 3.2Å; T739-N760 WeakPolarHBondContact CA-O 3.38Å; T739-N760 HydrophobicContact CG2-CB 4.46Å; F758-N760 PolarHBondContact O-N 3.49Å; N760-C762 PolarHBondContact O-N 3.02Å; N760-K782 PolarHBondContact OD1-NZ 2.77Å; N760-K782 VanDerWaalsContact OD1-NZ 3.11Å
761L85.3Confident83.5Confident2 Ų239.8 Ų39.81%0.0121%0.214CC..  trans-71.5117.4-177.7-172.759000110.4I738 L741 F758 I764 L780 K782I738-L761 HydrophobicContact CG2-CD1 4.09Å; I738-L761 WeakPolarHBondContact O-CA 3.32Å; I738-L761 PolarHBondContact O-N 2.9Å; L741-L761 HydrophobicContact CB-CD1 3.78Å; L741-L761 HydrophobicContact CB-CD2 4.45Å; L741-L761 HydrophobicContact CD2-CD2 4.42Å; F758-L761 HydrophobicContact CB-CB 4.22Å; F758-L761 HydrophobicContact CB-CD2 4.24Å; F758-L761 HydrophobicContact CD1-CD2 4.21Å; F758-L761 HydrophobicContact CG-CD2 4.44Å; L761-I764 HydrophobicContact CD1-CG1 4.18Å; L761-I764 HydrophobicContact CD2-CD1 3.52Å; L761-I764 HydrophobicContact CD2-CG1 3.77Å; L761-I764 HydrophobicContact CG-CD1 4.04Å; L761-I764 HydrophobicContact CG-CG1 3.86Å; L761-L780 HydrophobicContact CD2-CD1 4.35Å; L761-K782 CarbonylContact O-C 3.32Å
762C88.7Confident83.7Confident33 Ų3343.2 Ų43.222%0.22324%0.235CC..  trans-114.6-29.1-175.7-71.90000113.6T739 N760 K782 K784 I785T739-C762 PolarHBondContact O-N 3.26Å; N760-C762 PolarHBondContact O-N 3.02Å; C762-K782 WeakPolarHBondContact CA-O 3.17Å; C762-K782 PolarHBondContact SG-O 3.39Å; C762-K784 PolarHBondContact O-N 3.25Å; C762-I785 PolarHBondContact O-N 3.32Å
763K91.6Very high84.1Confident83 Ų8340.1 Ų40.136%0.36122%0.219SC..EExtended strand (participates in β ladder)trans-128.6130.7179.3-51.9-166.1-164.6150.50110.6T739 H740 L741 I785T739-K763 PolarHBondContact O-N 2.88Å; H740-K763 WeakPolarHBondContact CA-O 3.07Å; H740-K763 VanDerWaalsContact CD2-CD 3.44Å; H740-K763 WeakPolarHBondContact CD2-CD 3.18Å; H740-K763 VanDerWaalsContact NE2-CD 3.29Å; H740-K763 WeakPolarHBondContact NE2-CD 3.48Å; H740-K763 VanDerWaalsContact NE2-CE 3.29Å; H740-K763 WeakPolarHBondContact NE2-CE 3.22Å; H740-K763 PolarHBondContact NE2-NZ 3.21Å; H740-K763 VanDerWaalsContact NE2-NZ 3.15Å; L741-K763 PolarHBondContact N-O 3.15Å; K763-I785 WeakPolarHBondContact CA-O 3.22Å; K763-I785 HydrophobicContact CB-CB 4.42Å; K763-I785 HydrophobicContact CD-CB 4.34Å; K763-I785 HydrophobicContact CD-CD1 3.9Å; K763-I785 HydrophobicContact CD-CG1 4.38Å; K763-I785 HydrophobicContact CG-CB 4.06Å; K763-I785 HydrophobicContact CG-CD1 4.36Å; K763-I785 HydrophobicContact CG-CG1 4.31Å
764I91.5Very high84.3Confident1 Ų140 Ų401%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-126.8125.9176.1-60.7179.4000109L741 L761 L766 L777 L780 I783 I785 L786 Y787L741-I764 CarbonylContact O-C 3.59Å; L741-I764 WeakPolarHBondContact O-CA 3.24Å; L761-I764 HydrophobicContact CD1-CG1 4.18Å; L761-I764 HydrophobicContact CD2-CD1 3.52Å; L761-I764 HydrophobicContact CD2-CG1 3.77Å; L761-I764 HydrophobicContact CG-CD1 4.04Å; L761-I764 HydrophobicContact CG-CG1 3.86Å; I764-L766 HydrophobicContact CG2-CD1 3.56Å; I764-L766 HydrophobicContact CG2-CG 3.62Å; I764-L777 HydrophobicContact CD1-CD2 3.75Å; I764-L780 HydrophobicContact CD1-CD1 3.85Å; I764-I783 HydrophobicContact CD1-CD1 3.53Å; I764-I783 HydrophobicContact CD1-CG1 4.28Å; I764-I783 HydrophobicContact CG1-CD1 4.41Å; I764-I785 PolarHBondContact N-O 3.15Å; I764-I785 VanDerWaalsContact N-O 3.1Å; I764-L786 HydrophobicContact CB-CD2 3.87Å; I764-Y787 PolarHBondContact O-N 3.43Å
765N91.8Very high84.4Confident24 Ų2437.7 Ų37.713%0.12820%0.202CC..EExtended strand (participates in β ladder)trans-108.4113.6170.6-172.6-29.6000110.1L741 L743 Q744 E767 Y787L741-N765 PolarHBondContact O-N 2.85Å; L743-N765 PolarHBondContact N-O 3.12Å; Q744-N765 WeakPolarHBondContact CG-OD1 3.49Å; Q744-N765 PolarHBondContact NE2-ND2 2.82Å; N765-E767 PolarHBondContact ND2-OE2 3.48Å; N765-E767 WeakPolarHBondContact OD1-CB 3.11Å; N765-E767 WeakPolarHBondContact OD1-CG 3.35Å; N765-E767 PolarHBondContact OD1-N 3.05Å; N765-E767 PolarHBondContact OD1-OE2 3.41Å; N765-Y787 HydrophobicContact CB-CD2 3.96Å; N765-Y787 HydrophobicContact CB-CG 4.43Å
766L90Very high84.6Confident0 Ų036.1 Ų36.10%020%0.195CC..  trans-126.534.2177.8-71.6165.6000110.8L721 L743 I748 V751 I764 N769 L771 L777 Y787 L788 N791L721-L766 HydrophobicContact CD2-CD2 4.14Å; L743-L766 HydrophobicContact CB-CD2 3.84Å; L743-L766 HydrophobicContact CD1-CD2 4.44Å; I748-L766 HydrophobicContact CD1-CD2 3.62Å; V751-L766 HydrophobicContact CG2-CD1 3.99Å; I764-L766 HydrophobicContact CG2-CD1 3.56Å; I764-L766 HydrophobicContact CG2-CG 3.62Å; L766-N769 VanDerWaalsContact C-ND2 3.27Å; L766-N769 PolarHBondContact O-ND2 2.78Å; L766-L771 HydrophobicContact CB-CD1 3.92Å; L766-L771 HydrophobicContact CD1-CD1 4.04Å; L766-L777 HydrophobicContact CD1-CD1 4.01Å; L766-L777 HydrophobicContact CD1-CD2 4.12Å; L766-Y787 CarbonylContact C-O 3.53Å; L766-Y787 PolarHBondContact N-O 2.97Å; L766-L788 HydrophobicContact CB-CD2 3.9Å; L766-L788 HydrophobicContact CD1-CD2 4.4Å; L766-N791 PolarHBondContact O-ND2 3.01Å
767E90.6Very high85.1Confident37 Ų3730 Ų3017%0.17316%0.162CC..  trans-64.3152177.9-62.7173.813500112.1Q744 S745 N765 N769 N789Q744-E767 WeakPolarHBondContact CA-O 3.34Å; Q744-E767 HydrophobicContact CG-CB 4.31Å; Q744-E767 PolarHBondContact NE2-OE2 3.28Å; S745-E767 PolarHBondContact N-O 2.8Å; N765-E767 PolarHBondContact ND2-OE2 3.48Å; N765-E767 WeakPolarHBondContact OD1-CB 3.11Å; N765-E767 WeakPolarHBondContact OD1-CG 3.35Å; N765-E767 PolarHBondContact OD1-N 3.05Å; N765-E767 PolarHBondContact OD1-OE2 3.41Å; E767-N769 PolarHBondContact O-N 2.85Å; E767-N769 PolarHBondContact O-ND2 2.89Å; E767-N769 VanDerWaalsContact O-ND2 3.12Å; E767-N789 VanDerWaalsContact CA-O 3.29Å; E767-N789 WeakPolarHBondContact CA-O 3.35Å; E767-N789 HydrophobicContact CG-CB 3.93Å; E767-N789 PolarHBondContact OE1-ND2 3.44Å
768Q88.7Confident85.5Confident112 Ų11228.3 Ų28.352%0.52315%0.153SC..SBendtrans5745.6179.5-57.6-178.1-5.400113.2S745 N789 H790S745-Q768 VanDerWaalsContact CA-O 3.29Å; S745-Q768 WeakPolarHBondContact CA-O 3.15Å; S745-Q768 PolarHBondContact OG-OE1 3.11Å; Q768-N789 PolarHBondContact N-O 3.12Å; Q768-H790 VanDerWaalsContact CA-O 3.3Å; Q768-H790 WeakPolarHBondContact CA-O 3.45Å; Q768-H790 HydrophobicContact CG-CB 3.98Å; Q768-H790 PolarHBondContact N-O 3Å
769N89.8Confident85.7Confident3 Ų333.9 Ų33.92%0.01618%0.179CC..SBendtrans-117.6-176174.3-77.7-73.5000110.1L743 C746 S747 I748 L766 E767 L771 H790 N791L743-N769 PolarHBondContact O-ND2 3.18Å; C746-N769 WeakPolarHBondContact CA-OD1 3.34Å; C746-N769 PolarHBondContact N-OD1 3.48Å; C746-N769 VanDerWaalsContact N-OD1 3.09Å; S747-N769 PolarHBondContact N-OD1 3.18Å; S747-N769 VanDerWaalsContact N-OD1 3.08Å; I748-N769 HydrophobicContact CB-CB 4.22Å; I748-N769 WeakPolarHBondContact CB-OD1 3.42Å; I748-N769 PolarHBondContact N-OD1 2.96Å; L766-N769 VanDerWaalsContact C-ND2 3.27Å; L766-N769 PolarHBondContact O-ND2 2.78Å; E767-N769 PolarHBondContact O-N 2.85Å; E767-N769 PolarHBondContact O-ND2 2.89Å; E767-N769 VanDerWaalsContact O-ND2 3.12Å; N769-L771 HydrophobicContact CB-CG 4.36Å; N769-H790 PolarHBondContact N-O 3.48Å; N769-N791 WeakPolarHBondContact CA-OD1 3.29Å; N769-N791 VanDerWaalsContact CB-OD1 3.26Å; N769-N791 WeakPolarHBondContact CB-OD1 3.44Å; N769-N791 PolarHBondContact O-OD1 3.45Å
770N86.7Confident85.9Confident57 Ų5731.9 Ų31.931%0.30517%0.166SC..  trans-109.431.1-177.2-64.2-37.3000111.4I748 R749I748-N770 CarbonylContact O-C 3.22Å; I748-N770 VanDerWaalsContact O-C 3.22Å; I748-N770 VanDerWaalsContact O-CA 3.31Å; I748-N770 WeakPolarHBondContact O-CA 3.39Å; I748-N770 PolarHBondContact O-N 3.29Å; R749-N770 HydrophobicContact CG-CB 3.89Å
771L87.6Confident85.8Confident0 Ų032.5 Ų32.50%017%0.174CC..  trans-69.8136.6-177.3-65166.4000110.3I748 V751 L766 N769 L788 N791 H792 I793I748-L771 HydrophobicContact CG2-CD2 3.95Å; I748-L771 PolarHBondContact O-N 3.25Å; V751-L771 HydrophobicContact CG2-CD2 4.02Å; L766-L771 HydrophobicContact CB-CD1 3.92Å; L766-L771 HydrophobicContact CD1-CD1 4.04Å; N769-L771 HydrophobicContact CB-CG 4.36Å; L771-L788 HydrophobicContact CD1-CD2 3.61Å; L771-N791 HydrophobicContact CB-CB 4.38Å; L771-N791 VanDerWaalsContact CB-OD1 3.27Å; L771-N791 WeakPolarHBondContact CB-OD1 3.26Å; L771-N791 WeakPolarHBondContact CG-OD1 3.37Å; L771-N791 PolarHBondContact N-OD1 3Å; L771-H792 CarbonylContact O-C 3.46Å; L771-H792 WeakPolarHBondContact O-CA 3.43Å; L771-H792 PolarHBondContact O-N 3.31Å; L771-I793 HydrophobicContact CB-CD1 3.71Å; L771-I793 PolarHBondContact O-N 3.38Å
772T86.5Confident85.8Confident76 Ų7637 Ų3747%0.46619%0.193SC..SBendtrans-104.8-14.3174.159.40000113.8H792 K794T772-H792 WeakPolarHBondContact CA-O 3.35Å; T772-K794 PolarHBondContact O-N 3.26Å
773S87.2Confident85.8Confident6 Ų635.5 Ų35.54%0.04218%0.183CC..SBendtrans-158.1173.2-177.860.70000111.7S775 S795 P798S773-S775 PolarHBondContact O-N 3.39Å; S773-S795 WeakPolarHBondContact CA-O 3.28Å; S773-S795 VanDerWaalsContact CB-O 3.3Å; S773-S795 WeakPolarHBondContact CB-O 3.4Å; S773-P798 WeakPolarHBondContact OG-CA 3.29Å
774F83.9Confident85.9Confident1 Ų136.2 Ų36.20%0.00419%0.186CC..  trans-80.915.1177-65.710.6000112.9G776 L777 I778 L786 L788 I793 I796 M843 L849 L851F774-G776 PolarHBondContact O-N 2.92Å; F774-L777 HydrophobicContact CB-CB 4.48Å; F774-L777 WeakPolarHBondContact O-CA 3.37Å; F774-L777 WeakPolarHBondContact O-CB 3.09Å; F774-L777 PolarHBondContact O-N 2.85Å; F774-I778 HydrophobicContact CB-CG2 3.91Å; F774-I778 PolarHBondContact O-N 3.32Å; F774-L786 HydrophobicContact CD2-CD1 4.37Å; F774-L786 HydrophobicContact CE2-CD1 4.25Å; F774-L788 HydrophobicContact CD1-CD1 3.6Å; F774-L788 HydrophobicContact CE1-CD1 3.25Å; F774-L788 HydrophobicContact CG-CD1 4.44Å; F774-L788 HydrophobicContact CZ-CD1 3.83Å; F774-I793 HydrophobicContact CD1-CD1 4.34Å; F774-I793 HydrophobicContact CD1-CG2 4.43Å; F774-I793 HydrophobicContact CE1-CG2 4.03Å; F774-I796 HydrophobicContact CB-CG2 4.4Å; F774-I796 WeakPolarHBondContact CB-O 3.35Å; F774-I796 HydrophobicContact CD2-CG1 4.3Å; F774-I796 HydrophobicContact CD2-CG2 3.94Å; F774-I796 HydrophobicContact CE2-CG1 4.1Å; F774-I796 HydrophobicContact CE2-CG2 4.5Å; F774-I796 HydrophobicContact CG-CG2 4.28Å; F774-I796 HydrophobicContact CZ-CG1 4.31Å; F774-I796 PolarHBondContact N-O 3Å; F774-M843 HydrophobicContact CD2-SD 3.95Å; F774-L849 HydrophobicContact CE2-CD1 4.2Å; F774-L849 HydrophobicContact CE2-CD2 4.31Å; F774-L849 HydrophobicContact CZ-CD1 3.67Å; F774-L849 HydrophobicContact CZ-CD2 3.91Å; F774-L849 HydrophobicContact CZ-CG 4.44Å; F774-L851 HydrophobicContact CE1-CD2 4.17Å; F774-L851 HydrophobicContact CZ-CD2 4.48Å
775S76.1Confident86Confident7 Ų737.6 Ų37.65%0.04919%0.193CC..THydrogen-bonded Turntrans-27.3126.5-18057.30000113.3V751 S773 L777V751-S775 VanDerWaalsContact CB-O 3.27Å; V751-S775 WeakPolarHBondContact CB-O 3.09Å; V751-S775 PolarHBondContact N-OG 2.97Å; V751-S775 VanDerWaalsContact N-OG 3.13Å; V751-S775 CarbonylContact O-C 3.47Å; V751-S775 VanDerWaalsContact O-C 3.31Å; S773-S775 PolarHBondContact O-N 3.39Å; S775-L777 PolarHBondContact O-N 3.09Å
776G74.6Confident86.1Confident12 Ų1236.5 Ų36.512%0.12419%0.187CC..THydrogen-bonded Turntrans72.5-35179.500000115.7V751 F774 I778 H779V751-G776 WeakPolarHBondContact O-CA 3.44Å; V751-G776 PolarHBondContact O-N 3.23Å; F774-G776 PolarHBondContact O-N 2.92Å; G776-I778 PolarHBondContact O-N 3.49Å; G776-H779 PolarHBondContact O-N 2.98Å
777L84.3Confident86.4Confident0 Ų039.8 Ų39.80%020%0.2CC..G310 helixtrans-64.9-29.1177.2-56.6169.9000112V751 I764 L766 F774 S775 H779 L780V751-L777 HydrophobicContact CB-CD2 4.27Å; V751-L777 HydrophobicContact CB-CG 4.21Å; V751-L777 HydrophobicContact CG1-CD2 3.84Å; V751-L777 HydrophobicContact CG1-CG 4.26Å; V751-L777 HydrophobicContact CG2-CD2 4.27Å; V751-L777 HydrophobicContact CG2-CG 4.27Å; I764-L777 HydrophobicContact CD1-CD2 3.75Å; L766-L777 HydrophobicContact CD1-CD1 4.01Å; L766-L777 HydrophobicContact CD1-CD2 4.12Å; F774-L777 HydrophobicContact CB-CB 4.48Å; F774-L777 WeakPolarHBondContact O-CA 3.37Å; F774-L777 WeakPolarHBondContact O-CB 3.09Å; F774-L777 PolarHBondContact O-N 2.85Å; S775-L777 PolarHBondContact O-N 3.09Å; L777-H779 PolarHBondContact O-N 3.23Å; L777-L780 HydrophobicContact CD2-CD1 4.2Å; L777-L780 PolarHBondContact O-N 3.01Å
778I83.6Confident86.5Confident29 Ų2938.1 Ų38.115%0.14919%0.192CC..G310 helixtrans-61-24.1178.461.9172.4000113.7F774 G776 I796 L797 M843F774-I778 HydrophobicContact CB-CG2 3.91Å; F774-I778 PolarHBondContact O-N 3.32Å; G776-I778 PolarHBondContact O-N 3.49Å; I778-I796 HydrophobicContact CG2-CG2 4.25Å; I778-L797 HydrophobicContact CD1-CD2 4.13Å; I778-M843 HydrophobicContact CB-CG 4.47Å; I778-M843 HydrophobicContact CG2-CG 4.49Å; I778-M843 HydrophobicContact CG2-SD 4.23Å
779H81Confident86.6Confident119 Ų11933.4 Ų33.455%0.55117%0.171SC*.G310 helixtrans-89.8-4.7-177.3-58.9-60.9000112.9P755 G776 L777P755-H779 HydrophobicContact CG-CB 3.64Å; G776-H779 PolarHBondContact O-N 2.98Å; L777-H779 PolarHBondContact O-N 3.23Å
780L83.1Confident86.7Confident4 Ų437.5 Ų37.52%0.02119%0.189CC..  trans-84.9119.7-177.3-66.5173.4000110.3L753 F758 L761 I764 L777 K782 I783L753-L780 HydrophobicContact CD1-CD1 4.28Å; F758-L780 HydrophobicContact CB-CD2 3.99Å; L761-L780 HydrophobicContact CD2-CD1 4.35Å; I764-L780 HydrophobicContact CD1-CD1 3.85Å; L777-L780 HydrophobicContact CD2-CD1 4.2Å; L777-L780 PolarHBondContact O-N 3.01Å; L780-K782 PolarHBondContact O-N 2.84Å; L780-I783 HydrophobicContact CB-CD1 3.43Å; L780-I783 VanDerWaalsContact CB-CD1 3.43Å; L780-I783 HydrophobicContact CB-CG1 3.75Å; L780-I783 HydrophobicContact CD1-CD1 3.63Å; L780-I783 HydrophobicContact CD1-CG1 4.49Å; L780-I783 HydrophobicContact CG-CD1 4.14Å
781P78.9Confident86.9Confident77 Ų7734.9 Ų34.950%0.518%0.175SC..THydrogen-bonded Turntrans-76.3-28-161.526.6-34.6000114.6S845P781-S845 WeakPolarHBondContact O-CB 3.15Å; P781-S845 PolarHBondContact O-OG 3.34Å
782K85.6Confident87Confident97 Ų9739.9 Ų39.942%0.42220%0.199SC..THydrogen-bonded Turntrans-113.914.4-168.7-62-167.2-165.5159.40115.1T759 N760 L761 C762 L780 K784T759-K782 WeakPolarHBondContact O-CD 3.47Å; T759-K782 WeakPolarHBondContact O-CE 3.27Å; T759-K782 PolarHBondContact O-NZ 2.89Å; T759-K782 VanDerWaalsContact O-NZ 3.09Å; N760-K782 PolarHBondContact OD1-NZ 2.77Å; N760-K782 VanDerWaalsContact OD1-NZ 3.11Å; L761-K782 CarbonylContact O-C 3.32Å; C762-K782 WeakPolarHBondContact CA-O 3.17Å; C762-K782 PolarHBondContact SG-O 3.39Å; L780-K782 PolarHBondContact O-N 2.84Å; K782-K784 PolarHBondContact O-N 3.31Å
783I89.5Confident87.1Confident0 Ų036.4 Ų36.40%018%0.177CC..  trans-68.1123.1-179.4-64.2-176.9000110.3I764 L780 L786 M843 S845 L846I764-I783 HydrophobicContact CD1-CD1 3.53Å; I764-I783 HydrophobicContact CD1-CG1 4.28Å; I764-I783 HydrophobicContact CG1-CD1 4.41Å; L780-I783 HydrophobicContact CB-CD1 3.43Å; L780-I783 VanDerWaalsContact CB-CD1 3.43Å; L780-I783 HydrophobicContact CB-CG1 3.75Å; L780-I783 HydrophobicContact CD1-CD1 3.63Å; L780-I783 HydrophobicContact CD1-CG1 4.49Å; L780-I783 HydrophobicContact CG-CD1 4.14Å; I783-L786 HydrophobicContact CD1-CD2 4.25Å; I783-L786 HydrophobicContact CG2-CD1 4.32Å; I783-L786 HydrophobicContact CG2-CD2 3.6Å; I783-L786 HydrophobicContact CG2-CG 3.66Å; I783-M843 HydrophobicContact CB-CE 4.14Å; I783-M843 HydrophobicContact CD1-CE 4.11Å; I783-M843 HydrophobicContact CG2-CE 4.18Å; I783-S845 PolarHBondContact N-OG 3.18Å; I783-S845 CarbonylContact O-C 3.54Å; I783-S845 WeakPolarHBondContact O-CB 3.48Å; I783-S845 VanDerWaalsContact O-O 3.13Å; I783-S845 PolarHBondContact O-OG 3.14Å; I783-S845 VanDerWaalsContact O-OG 3.12Å; I783-L846 HydrophobicContact CG2-CD1 3.88Å; I783-L846 WeakPolarHBondContact O-CA 3.42Å; I783-L846 PolarHBondContact O-N 3.2Å
784K92.1Very high87Confident99 Ų9942.6 Ų42.643%0.4320%0.203SC..  trans-104.7-35175.1-63.8-170.6175.2-1640113.2C762 K782 E847 V848C762-K784 PolarHBondContact O-N 3.25Å; K782-K784 PolarHBondContact O-N 3.31Å; K784-E847 IonicContact NZ-OE1 3.32Å; K784-E847 PolarHBondContact O-N 3.02Å; K784-V848 PolarHBondContact O-N 2.93Å
785I94.4Very high86.9Confident30 Ų3043.4 Ų43.415%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-131.8127.6-173.6-51.8-172000110.3C762 K763 I764 Y787 V848C762-I785 PolarHBondContact O-N 3.32Å; K763-I785 WeakPolarHBondContact CA-O 3.22Å; K763-I785 HydrophobicContact CB-CB 4.42Å; K763-I785 HydrophobicContact CD-CB 4.34Å; K763-I785 HydrophobicContact CD-CD1 3.9Å; K763-I785 HydrophobicContact CD-CG1 4.38Å; K763-I785 HydrophobicContact CG-CB 4.06Å; K763-I785 HydrophobicContact CG-CD1 4.36Å; K763-I785 HydrophobicContact CG-CG1 4.31Å; I764-I785 PolarHBondContact N-O 3.15Å; I764-I785 VanDerWaalsContact N-O 3.1Å; I785-Y787 HydrophobicContact CG2-CD2 4.15Å; I785-Y787 HydrophobicContact CG2-CE1 4.36Å; I785-Y787 HydrophobicContact CG2-CE2 3.52Å; I785-V848 WeakPolarHBondContact CA-O 3.33Å; I785-V848 HydrophobicContact CB-CB 4.45Å; I785-V848 HydrophobicContact CD1-CG2 4.49Å; I785-V848 HydrophobicContact CG1-CB 4.11Å; I785-V848 HydrophobicContact CG1-CG2 4.3Å; I785-V848 HydrophobicContact CG2-CB 4.13Å; I785-V848 HydrophobicContact CG2-CG1 4.32Å
786L94.4Very high87.3Confident0 Ų043.1 Ų43.10%021%0.207CC..EExtended strand (participates in β ladder)trans-122.4123.3174.9-72.2179.4000111.3I764 F774 I783 M843 L846 V848 L849 H850I764-L786 HydrophobicContact CB-CD2 3.87Å; F774-L786 HydrophobicContact CD2-CD1 4.37Å; F774-L786 HydrophobicContact CE2-CD1 4.25Å; I783-L786 HydrophobicContact CD1-CD2 4.25Å; I783-L786 HydrophobicContact CG2-CD1 4.32Å; I783-L786 HydrophobicContact CG2-CD2 3.6Å; I783-L786 HydrophobicContact CG2-CG 3.66Å; L786-M843 HydrophobicContact CD1-CE 3.9Å; L786-M843 HydrophobicContact CD1-SD 4.4Å; L786-L846 HydrophobicContact CB-CD1 4.22Å; L786-L846 HydrophobicContact CD1-CD1 3.82Å; L786-L846 HydrophobicContact CD1-CD2 4.2Å; L786-L846 HydrophobicContact CG-CD1 3.69Å; L786-V848 PolarHBondContact N-O 2.59Å; L786-V848 VanDerWaalsContact N-O 3.08Å; L786-L849 HydrophobicContact CB-CD1 3.97Å; L786-L849 HydrophobicContact CD1-CD1 4.47Å; L786-H850 PolarHBondContact O-N 2.72Å
787Y94.8Very high87.4Confident70 Ų7045.2 Ų45.228%0.27522%0.215SC..EExtended strand (participates in β ladder)trans-102.6109.9168.8-53.1-89.4000110I764 N765 L766 I785 H850I764-Y787 PolarHBondContact O-N 3.43Å; N765-Y787 HydrophobicContact CB-CD2 3.96Å; N765-Y787 HydrophobicContact CB-CG 4.43Å; L766-Y787 CarbonylContact C-O 3.53Å; L766-Y787 PolarHBondContact N-O 2.97Å; I785-Y787 HydrophobicContact CG2-CD2 4.15Å; I785-Y787 HydrophobicContact CG2-CE1 4.36Å; I785-Y787 HydrophobicContact CG2-CE2 3.52Å; Y787-H850 HydrophobicContact CD1-CB 4.29Å; Y787-H850 AromaticContact CD1-CD2 3.29Å; Y787-H850 WeakPolarHBondContact CD1-CD2 3.49Å; Y787-H850 AromaticContact CD1-CG 3.81Å; Y787-H850 AromaticContact CD1-NE2 3.76Å; Y787-H850 AromaticContact CE1-CD2 3.37Å; Y787-H850 WeakPolarHBondContact CE1-CD2 3.22Å; Y787-H850 AromaticContact CE1-NE2 3.32Å; Y787-H850 VanDerWaalsContact CE1-NE2 3.32Å; Y787-H850 WeakPolarHBondContact CE1-NE2 3.49Å
788L92.8Very high86.7Confident1 Ų148.1 Ų48.11%0.00523%0.234CC..  trans-126.326.7-179.1-63.8173.6000111.6L766 L771 F774 N791 L849 H850 L851 N854L766-L788 HydrophobicContact CB-CD2 3.9Å; L766-L788 HydrophobicContact CD1-CD2 4.4Å; L771-L788 HydrophobicContact CD1-CD2 3.61Å; F774-L788 HydrophobicContact CD1-CD1 3.6Å; F774-L788 HydrophobicContact CE1-CD1 3.25Å; F774-L788 HydrophobicContact CG-CD1 4.44Å; F774-L788 HydrophobicContact CZ-CD1 3.83Å; L788-N791 PolarHBondContact O-ND2 3.19Å; L788-L849 HydrophobicContact CD1-CD1 4.33Å; L788-H850 CarbonylContact C-O 3.07Å; L788-H850 WeakPolarHBondContact CA-O 3.48Å; L788-H850 WeakPolarHBondContact CB-O 3.36Å; L788-H850 PolarHBondContact N-O 2.87Å; L788-L851 HydrophobicContact CB-CD2 3.94Å; L788-L851 HydrophobicContact CD1-CD2 4.24Å; L788-N854 PolarHBondContact O-ND2 3.21Å
789N92.1Very high85.4Confident14 Ų1456 Ų568%0.07526%0.262CS..  trans-61.8148.7177-59.8-40.1000110.8E767 Q768 N791 H850 L851 S852E767-N789 VanDerWaalsContact CA-O 3.29Å; E767-N789 WeakPolarHBondContact CA-O 3.35Å; E767-N789 HydrophobicContact CG-CB 3.93Å; E767-N789 PolarHBondContact OE1-ND2 3.44Å; Q768-N789 PolarHBondContact N-O 3.12Å; N789-N791 PolarHBondContact O-ND2 3.17Å; N789-N791 VanDerWaalsContact O-ND2 3.11Å; N789-H850 VanDerWaalsContact OD1-CB 3.3Å; N789-H850 WeakPolarHBondContact OD1-CB 3.31Å; N789-L851 PolarHBondContact OD1-N 3.47Å; N789-S852 WeakPolarHBondContact CA-O 3.37Å; N789-S852 WeakPolarHBondContact CB-OG 3.4Å; N789-S852 WeakPolarHBondContact OD1-CB 3.46Å; N789-S852 PolarHBondContact OD1-N 2.97Å; N789-S852 PolarHBondContact OD1-OG 3.33Å
790H91.1Very high83.6Confident88 Ų8859.3 Ų59.341%0.40728%0.278SS..SBendtrans54.854.1179-59.579000112.6Q768 N769 S852 H853Q768-H790 VanDerWaalsContact CA-O 3.3Å; Q768-H790 WeakPolarHBondContact CA-O 3.45Å; Q768-H790 HydrophobicContact CG-CB 3.98Å; Q768-H790 PolarHBondContact N-O 3Å; N769-H790 PolarHBondContact N-O 3.48Å; H790-S852 PolarHBondContact N-O 3.36Å; H790-H853 WeakPolarHBondContact CA-O 3.43Å; H790-H853 AromaticContact CE1-CD2 3.4Å; H790-H853 PolarHBondContact CE1-CD2 3Å; H790-H853 AromaticContact CE1-CG 3.87Å; H790-H853 AromaticContact NE2-CD2 3.5Å; H790-H853 PolarHBondContact NE2-CD2 3.37Å; H790-H853 AromaticContact NE2-CG 3.63Å; H790-H853 AromaticContact NE2-NE2 3.99Å
791N91.6Very high81.3Confident2 Ų267.4 Ų67.41%0.01131%0.313CS..SBendtrans-125.6-164.8173-83.3-90.4000109.6L766 N769 L771 L788 N789 I793 N854L766-N791 PolarHBondContact O-ND2 3.01Å; N769-N791 WeakPolarHBondContact CA-OD1 3.29Å; N769-N791 VanDerWaalsContact CB-OD1 3.26Å; N769-N791 WeakPolarHBondContact CB-OD1 3.44Å; N769-N791 PolarHBondContact O-OD1 3.45Å; L771-N791 HydrophobicContact CB-CB 4.38Å; L771-N791 VanDerWaalsContact CB-OD1 3.27Å; L771-N791 WeakPolarHBondContact CB-OD1 3.26Å; L771-N791 WeakPolarHBondContact CG-OD1 3.37Å; L771-N791 PolarHBondContact N-OD1 3Å; L788-N791 PolarHBondContact O-ND2 3.19Å; N789-N791 PolarHBondContact O-ND2 3.17Å; N789-N791 VanDerWaalsContact O-ND2 3.11Å; N791-I793 HydrophobicContact CB-CG1 4.12Å; N791-N854 WeakPolarHBondContact CA-OD1 3.43Å; N791-N854 WeakPolarHBondContact CB-OD1 3.4Å; N791-N854 WeakPolarHBondContact O-CA 3.4Å; N791-N854 PolarHBondContact O-OD1 3.15Å
792H89.5Confident79Confident106 Ų10670.6 Ų70.649%0.49133%0.331SS..  trans-125.140.2176.6-62.5-46.6000111.5L771 T772 K794 N854L771-H792 CarbonylContact O-C 3.46Å; L771-H792 WeakPolarHBondContact O-CA 3.43Å; L771-H792 PolarHBondContact O-N 3.31Å; T772-H792 WeakPolarHBondContact CA-O 3.35Å; H792-K794 PolarHBondContact O-N 3.22Å; H792-N854 PolarHBondContact N-OD1 3.15Å
793I89.4Confident76.6Confident2 Ų273.5 Ų73.51%0.0135%0.35CS..  trans-64120.2-175.4-59.3-63.5000110.1L771 F774 N791 L851 N854 L862L771-I793 HydrophobicContact CB-CD1 3.71Å; L771-I793 PolarHBondContact O-N 3.38Å; F774-I793 HydrophobicContact CD1-CD1 4.34Å; F774-I793 HydrophobicContact CD1-CG2 4.43Å; F774-I793 HydrophobicContact CE1-CG2 4.03Å; N791-I793 HydrophobicContact CB-CG1 4.12Å; I793-L851 HydrophobicContact CB-CD2 4.16Å; I793-L851 HydrophobicContact CG1-CD2 4.03Å; I793-L851 HydrophobicContact CG2-CD2 4.18Å; I793-N854 WeakPolarHBondContact CB-OD1 3.35Å; I793-N854 VanDerWaalsContact CG1-OD1 3.27Å; I793-N854 WeakPolarHBondContact CG1-OD1 3.42Å; I793-N854 PolarHBondContact N-OD1 3.31Å; I793-L862 HydrophobicContact CG2-CD2 4.19Å
794K83.6Confident73.6Confident136 Ų13677.8 Ų77.859%0.59138%0.379SS*.  trans-112.1-21.9178.1-67.2179.6-174.9-177.60113.5T772 H792T772-K794 PolarHBondContact O-N 3.26Å; H792-K794 PolarHBondContact O-N 3.22Å
795S83.6Confident70.9Confident18 Ų1881.9 Ų81.913%0.12641%0.405CS..  trans-158.5152.8179-1750000109.8S773 L797 N861S773-S795 WeakPolarHBondContact CA-O 3.28Å; S773-S795 VanDerWaalsContact CB-O 3.3Å; S773-S795 WeakPolarHBondContact CB-O 3.4Å; S795-L797 PolarHBondContact OG-N 2.76Å; S795-N861 PolarHBondContact OG-O 3.44Å
796I82.6Confident67.8Low1 Ų186.2 Ų86.21%0.00542%0.419CS..SBendtrans-64.2-45.9171.7-69.5167.5000110F774 I778 L842 L862 L864 L867F774-I796 HydrophobicContact CB-CG2 4.4Å; F774-I796 WeakPolarHBondContact CB-O 3.35Å; F774-I796 HydrophobicContact CD2-CG1 4.3Å; F774-I796 HydrophobicContact CD2-CG2 3.94Å; F774-I796 HydrophobicContact CE2-CG1 4.1Å; F774-I796 HydrophobicContact CE2-CG2 4.5Å; F774-I796 HydrophobicContact CG-CG2 4.28Å; F774-I796 HydrophobicContact CZ-CG1 4.31Å; F774-I796 PolarHBondContact N-O 3Å; I778-I796 HydrophobicContact CG2-CG2 4.25Å; I796-L842 HydrophobicContact CG2-CD1 4.1Å; I796-L862 WeakPolarHBondContact CD1-O 3.37Å; I796-L862 WeakPolarHBondContact CG1-O 3.44Å; I796-L862 PolarHBondContact N-O 2.91Å; I796-L864 HydrophobicContact CD1-CD2 4.27Å; I796-L867 HydrophobicContact CD1-CD1 3.87Å; I796-L867 HydrophobicContact CD1-CD2 4.39Å; I796-L867 HydrophobicContact CD1-CG 4.01Å
797L78.3Confident64.9Low56 Ų5690.1 Ų90.129%0.29345%0.447SS..SBendtrans-81.5142-179.5-71.3-179.1000111.5I778 S795 R799 L842I778-L797 HydrophobicContact CD1-CD2 4.13Å; S795-L797 PolarHBondContact OG-N 2.76Å; L797-R799 PolarHBondContact O-N 3.47Å; L797-L842 HydrophobicContact CD2-CD1 4.03Å; L797-L842 HydrophobicContact CG-CD1 4.5Å
798P68.8Low62Low62 Ų6293.1 Ų93.140%0.40347%0.467SS..PPolyproline II helixtrans-62.4125.2170.825.3-30.6000109S773 Q800S773-P798 WeakPolarHBondContact OG-CA 3.29Å; P798-Q800 PolarHBondContact O-N 3.03Å
799R56.7Low59.3Low194 Ų194101.1 Ų101.173%0.73250%0.502SS*.PPolyproline II helixtrans-58.7116.4168.2-76.2-175.2166.6-170.2-4.8107.1L797 K801L797-R799 PolarHBondContact O-N 3.47Å; R799-K801 PolarHBondContact O-N 2.81Å
800Q43.7Very low56.8Low189 Ų189106.1 Ų106.188%0.88353%0.525SS*.  trans-64.776166.4-75.8-178.3-8.100108.5P798 T802P798-Q800 PolarHBondContact O-N 3.03Å; Q800-T802 PolarHBondContact O-N 3.4Å
801K33.4Very low54.2Low173 Ų173105.3 Ų105.375%0.75252%0.523SS*.  trans-70.4118.1149.2-85.1-174172.9-174.80104.6R799 L803R799-K801 PolarHBondContact O-N 2.81Å; K801-L803 VanDerWaalsContact C-N 3.27Å; K801-L803 PolarHBondContact O-N 2.98Å
802T31.4Very low51.5Low144 Ų144111.4 Ų111.488%0.88356%0.555SS**  trans-39.692.2166.5-9.20000109.7Q800Q800-T802 PolarHBondContact O-N 3.4Å
803L35.2Very low48.9Very low159 Ų159114.5 Ų114.583%0.83257%0.569SS**  trans-113.974.7168.3-91.8169.3000106K801K801-L803 VanDerWaalsContact C-N 3.27Å; K801-L803 PolarHBondContact O-N 2.98Å
804C26.9Very low46.2Very low90 Ų90117.7 Ų117.761%0.60859%0.591SS**  trans-141.2113.4151-70.10000106.2R806C804-R806 HydrophobicContact CB-CB 4.35Å; C804-R806 HydrophobicContact CB-CG 3.59Å; C804-R806 PolarHBondContact O-N 3.06Å
805L34.9Very low43.7Very low184 Ų184119.6 Ų119.696%0.96360%0.6SS**  trans-54.782.5130.2-80.8158000105.7S807L805-S807 PolarHBondContact O-N 2.89Å
806R28.8Very low41.2Very low122 Ų122124 Ų12446%0.4663%0.625SS.*  trans-65.1119.1165.3-83.8-171.6169.4175.8-2.9104.7C804 N808 Q810 I811C804-R806 HydrophobicContact CB-CB 4.35Å; C804-R806 HydrophobicContact CB-CG 3.59Å; C804-R806 PolarHBondContact O-N 3.06Å; R806-N808 PolarHBondContact O-N 3.33Å; R806-Q810 HydrophobicContact CB-CB 4.48Å; R806-Q810 HydrophobicContact CG-CB 4.43Å; R806-I811 HydrophobicContact CB-CD1 4.29Å; R806-I811 HydrophobicContact CB-CG1 3.97Å
807S35.2Very low38.8Very low82 Ų82131.5 Ų131.557%0.57367%0.666SS**  trans-48.4138.5162.7132.40000108.2L805 K809 Q810L805-S807 PolarHBondContact O-N 2.89Å; S807-K809 PolarHBondContact O-N 3.41Å; S807-Q810 PolarHBondContact O-N 2.9Å
808N33.6Very low36.5Very low132 Ų132133.6 Ų133.671%0.70669%0.685SS**Hα-helixtrans-52.3-16.1-173.5-73.7-35.2000114.1R806R806-N808 PolarHBondContact O-N 3.33Å
809K36.1Very low34.8Very low170 Ų170136.4 Ų136.474%0.73971%0.706SS**Hα-helixtrans-66.1-30.8172.7-91.3-174.2171.2-178.80114.7S807S807-K809 PolarHBondContact O-N 3.41Å
810Q38.4Very low33.4Very low119 Ų119130.4 Ų130.456%0.55671%0.705SS**Hα-helixtrans-92.9-11.7-177.8-75.9178.8-9.800114R806 S807R806-Q810 HydrophobicContact CB-CB 4.48Å; R806-Q810 HydrophobicContact CG-CB 4.43Å; S807-Q810 PolarHBondContact O-N 2.9Å
811I36.7Very low32.6Very low71 Ų71133.4 Ų133.436%0.36471%0.71SS.*Hα-helixtrans-77.5-36.3174.3-64.3173.5000110.2R806 H813 S814R806-I811 HydrophobicContact CB-CD1 4.29Å; R806-I811 HydrophobicContact CB-CG1 3.97Å; I811-H813 PolarHBondContact O-N 2.82Å; I811-S814 PolarHBondContact O-N 3.47Å; I811-S814 PolarHBondContact O-OG 2.89Å
812L34.6Very low32.4Very low130 Ų130128.9 Ų128.968%0.68171%0.712SS**Hα-helixtrans-63.3-39.1177.8-90.6151.7000113S814L812-S814 VanDerWaalsContact C-N 3.26Å; L812-S814 PolarHBondContact O-N 2.73Å
813H35.3Very low32.3Very low171 Ų171130.7 Ų130.779%0.79271%0.71SS**THydrogen-bonded Turntrans-72.4-14.6177.5-85.5-81.9000114.6I811I811-H813 PolarHBondContact O-N 2.82Å
814S33.5Very low31.9Very low68 Ų68131.7 Ų131.748%0.47671%0.711SS.*THydrogen-bonded Turntrans-95.8-6-178700000114.7I811 L812I811-S814 PolarHBondContact O-N 3.47Å; I811-S814 PolarHBondContact O-OG 2.89Å; L812-S814 VanDerWaalsContact C-N 3.26Å; L812-S814 PolarHBondContact O-N 2.73Å
815K29.8Very low31.9Very low177 Ų177133.2 Ų133.277%0.7772%0.723SS**SBendtrans-108.60.2-176.2-86.8-172.8174.8-177.80115
816V32.3Very low31.4Very low109 Ų109130.1 Ų130.166%0.66172%0.717SS**  trans-114.296.3177.6-170.20000109.1
817N32.1Very low31.3Very low159 Ų159129.9 Ų129.985%0.8573%0.733SS**  trans-84.3105159.5-81.4-7.6000107.5
818S30.3Very low31.2Very low100 Ų100137.9 Ų137.970%0.69975%0.751SS**  trans-152.198.4156.8-86.20000110.8
819S31.5Very low30.9Very low121 Ų121136.8 Ų136.885%0.84675%0.754SS**  trans39.4120.6132.259.20000121.1
820G27.6Very low30.8Very low68 Ų68136.3 Ų136.370%0.70176%0.759SS**  trans141.890.8134.400000117.2
821Y26.3Very low30.4Very low253 Ų253142.1 Ų142.199%0.99278%0.776SS**  trans66.8126.7154-78.7-87.2000121.6
822G29.2Very low30.3Very low78 Ų78146.9 Ų146.980%0.80480%0.801SS**  trans138.281.3162.900000113.9
823Q29.3Very low30.3Very low181 Ų181145.6 Ų145.685%0.84680%0.801SS**  trans-65.8134.6178.3-65.3-175.9-21.400112.2
824Q26.8Very low30Very low181 Ų181139.9 Ų139.985%0.84679%0.788SS**  177135.2106.8-92.4174.815.300113.6
825S27.2Very low30Very low122 Ų122143.6 Ų143.685%0.85381%0.81SS**  trans65.575.3155.6-160.20000119.9
826S25.7Very low30.1Very low119 Ų119138.9 Ų138.983%0.83281%0.813SS**  trans-116.4109.4144.262.30000108.8R828S826-R828 PolarHBondContact O-N 3.08Å
827S25.5Very low30.3Very low116 Ų116139.6 Ų139.681%0.81182%0.817SS**  trans-51.9128.9177.246.60000112
828R33Very low31Very low251 Ų251134 Ų13495%0.94780%0.797SS**  trans-28.7124.8170.1-66.7170170.8171.8-3114.3S826S826-R828 PolarHBondContact O-N 3.08Å
829S28Very low32.3Very low109 Ų109132.4 Ų132.476%0.76278%0.78SS**  -171.1101.3126.8-165.80000110.1
830N32.9Very low34.2Very low160 Ų160133.9 Ų133.986%0.85677%0.773SS**  trans-17375.1152.1-95.3-15.9000107.6
831R30.9Very low36.5Very low240 Ų240134.9 Ų134.991%0.90677%0.768SS**  trans-122.8123.3154.2-73.6-169.3-173-162.12.2106.5
832L33.7Very low39.1Very low172 Ų172124.3 Ų124.390%0.90173%0.728SS**PPolyproline II helixtrans-48.1131.2162.6-73.4141.6000108.6
833P36.1Very low41.5Very low103 Ų103121.3 Ų121.367%0.66969%0.693SS**PPolyproline II helixtrans-83123.6175.410.64.7000109.6
834G27.6Very low43.9Very low51 Ų51114.8 Ų114.853%0.52667%0.674SS.*PPolyproline II helixtrans-67.1158.7149.900000110.1G836G834-G836 PolarHBondContact O-N 3.38Å; G834-G836 VanDerWaalsContact O-N 3.13Å
835P33.5Very low46.8Very low145 Ų145107.5 Ų107.594%0.94264%0.644SS**THydrogen-bonded Turntrans-70.9109.5-177.329.1-30.5000109.1
836G33.3Very low49.9Very low79 Ų79101.7 Ų101.781%0.81460%0.603SS**THydrogen-bonded Turntrans147-10.2170.500000117.8G834G834-G836 PolarHBondContact O-N 3.38Å; G834-G836 VanDerWaalsContact O-N 3.13Å
837V36.3Very low53.1Low124 Ų12498.5 Ų98.575%0.75258%0.575SS**SBendtrans-96.4120.9175.4-173.60000109.3L839V837-L839 PolarHBondContact O-N 3.25Å
838G45.8Very low56.5Low41 Ų4194.4 Ų94.442%0.42355%0.545SS..PPolyproline II helixtrans-58.7123.1-174.700000113.7
839L59Low59.5Low66 Ų6682.4 Ų82.435%0.34650%0.5SS..PPolyproline II helixtrans-60.3138.6173.7-62.1169.3000110.7V837 R866 R888V837-L839 PolarHBondContact O-N 3.25Å; L839-R866 HydrophobicContact CB-CG 3.9Å; L839-R866 HydrophobicContact CD1-CG 4.38Å; L839-R888 PolarHBondContact O-NH1 2.96Å
840E71.5Confident62.7Low152 Ų15278.6 Ų78.671%0.7147%0.47SS*.PPolyproline II helixtrans-62.4137.9179-69.4-176.6167.100111.6R866E840-R866 PolarHBondContact O-NE 2.91Å; E840-R866 PolarHBondContact O-NH2 3.03Å
841P75Confident65.6Low90 Ų9071 Ų7158%0.58443%0.429SS*.PPolyproline II helixtrans-59.6137.1175.8-20.131.2000111.7R866 T868P841-R866 CarbonylContact C-O 3.51Å; P841-R866 WeakPolarHBondContact CA-O 3.37Å; P841-T868 HydrophobicContact CB-CG2 4.32Å
842L80.5Confident68.6Low31 Ų3159.9 Ų59.916%0.16239%0.388CS..  trans-117.3149.7174.7-76.6177.1000110.1I796 L797 G844 R866I796-L842 HydrophobicContact CG2-CD1 4.1Å; L797-L842 HydrophobicContact CD2-CD1 4.03Å; L797-L842 HydrophobicContact CG-CD1 4.5Å; L842-G844 PolarHBondContact O-N 3.12Å; L842-R866 HydrophobicContact CB-CB 4.23Å; L842-R866 VanDerWaalsContact CD1-NH2 3.28Å; L842-R866 HydrophobicContact CG-CB 4.48Å; L842-R866 VanDerWaalsContact CG-NH2 3.28Å; L842-R866 PolarHBondContact N-O 3.27Å
843M80Confident71.3Confident14 Ų1455.5 Ų55.57%0.06936%0.363CS..  trans49.156.2174.1-56.4-168.170.600112.9F774 I778 I783 L786 S845 L846 L867F774-M843 HydrophobicContact CD2-SD 3.95Å; I778-M843 HydrophobicContact CB-CG 4.47Å; I778-M843 HydrophobicContact CG2-CG 4.49Å; I778-M843 HydrophobicContact CG2-SD 4.23Å; I783-M843 HydrophobicContact CB-CE 4.14Å; I783-M843 HydrophobicContact CD1-CE 4.11Å; I783-M843 HydrophobicContact CG2-CE 4.18Å; L786-M843 HydrophobicContact CD1-CE 3.9Å; L786-M843 HydrophobicContact CD1-SD 4.4Å; M843-S845 PolarHBondContact O-N 2.63Å; M843-L846 HydrophobicContact CB-CB 4.15Å; M843-L846 WeakPolarHBondContact O-CB 3.28Å; M843-L846 PolarHBondContact O-N 3.04Å; M843-L867 HydrophobicContact CB-CD2 3.98Å; M843-L867 HydrophobicContact CG-CD2 4.45Å
844G79.8Confident73.9Confident44 Ų4451 Ų5145%0.45433%0.333SS..THydrogen-bonded Turntrans-61.1-4.2-176.300000115.5L842 N869L842-G844 PolarHBondContact O-N 3.12Å; G844-N869 PolarHBondContact O-ND2 2.9Å
845S86.6Confident76.9Confident29 Ų2951 Ų5120%0.20333%0.333CS..THydrogen-bonded Turntrans-98.8-9.1174.245.10000114.1P781 I783 M843 E847P781-S845 WeakPolarHBondContact O-CB 3.15Å; P781-S845 PolarHBondContact O-OG 3.34Å; I783-S845 PolarHBondContact N-OG 3.18Å; I783-S845 CarbonylContact O-C 3.54Å; I783-S845 WeakPolarHBondContact O-CB 3.48Å; I783-S845 VanDerWaalsContact O-O 3.13Å; I783-S845 PolarHBondContact O-OG 3.14Å; I783-S845 VanDerWaalsContact O-OG 3.12Å; M843-S845 PolarHBondContact O-N 2.63Å; S845-E847 PolarHBondContact O-N 2.99Å
846L92.2Very high79.6Confident0 Ų044.5 Ų44.50%029%0.291CS..  trans-74123.8-172.9-17070.1000111.5I783 L786 M843 L849 L867 N869 L870I783-L846 HydrophobicContact CG2-CD1 3.88Å; I783-L846 WeakPolarHBondContact O-CA 3.42Å; I783-L846 PolarHBondContact O-N 3.2Å; L786-L846 HydrophobicContact CB-CD1 4.22Å; L786-L846 HydrophobicContact CD1-CD1 3.82Å; L786-L846 HydrophobicContact CD1-CD2 4.2Å; L786-L846 HydrophobicContact CG-CD1 3.69Å; M843-L846 HydrophobicContact CB-CB 4.15Å; M843-L846 WeakPolarHBondContact O-CB 3.28Å; M843-L846 PolarHBondContact O-N 3.04Å; L846-L849 HydrophobicContact CD2-CB 4.45Å; L846-L867 HydrophobicContact CD2-CD1 4.08Å; L846-L867 HydrophobicContact CD2-CD2 4.16Å; L846-N869 CarbonylContact O-C 3.27Å; L846-L870 HydrophobicContact CD2-CD1 4.25Å; L846-L870 HydrophobicContact CG-CD1 4.17Å; L846-L870 PolarHBondContact O-N 3.02Å
847E94.4Very high82.3Confident51 Ų5143.8 Ų43.824%0.23827%0.273CS..  trans-111.4-35-177.7-61.4-174.8-151.400112.2K784 S845 K871 A872K784-E847 IonicContact NZ-OE1 3.32Å; K784-E847 PolarHBondContact O-N 3.02Å; S845-E847 PolarHBondContact O-N 2.99Å; E847-K871 HydrophobicContact CB-CD 4.37Å; E847-K871 PolarHBondContact O-N 3.34Å; E847-K871 IonicContact OE1-NZ 2.91Å; E847-K871 WeakPolarHBondContact OE2-CE 3.4Å; E847-K871 IonicContact OE2-NZ 3.38Å; E847-K871 PolarHBondContact OE2-NZ 3.25Å; E847-A872 PolarHBondContact O-N 2.69Å; E847-A872 VanDerWaalsContact O-N 3.14Å
848V95.9Very high84.6Confident30 Ų3040.5 Ų40.518%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-132.8130-175-175.90000110.7K784 I785 L786 H850 A872 F874K784-V848 PolarHBondContact O-N 2.93Å; I785-V848 WeakPolarHBondContact CA-O 3.33Å; I785-V848 HydrophobicContact CB-CB 4.45Å; I785-V848 HydrophobicContact CD1-CG2 4.49Å; I785-V848 HydrophobicContact CG1-CB 4.11Å; I785-V848 HydrophobicContact CG1-CG2 4.3Å; I785-V848 HydrophobicContact CG2-CB 4.13Å; I785-V848 HydrophobicContact CG2-CG1 4.32Å; L786-V848 PolarHBondContact N-O 2.59Å; L786-V848 VanDerWaalsContact N-O 3.08Å; V848-H850 WeakPolarHBondContact CG1-NE2 3.21Å; V848-A872 HydrophobicContact CG1-CB 4.3Å; V848-A872 HydrophobicContact CG2-CB 4.37Å; V848-F874 HydrophobicContact CG1-CD2 4.38Å; V848-F874 HydrophobicContact CG1-CE2 3.91Å
849L95.8Very high86.6Confident0 Ų038.5 Ų38.50%023%0.231CC..EExtended strand (participates in β ladder)trans-133121-178.8177.759.3000111.6F774 L786 L788 L846 L851 L864 L867 L870 A872 L873 F874F774-L849 HydrophobicContact CE2-CD1 4.2Å; F774-L849 HydrophobicContact CE2-CD2 4.31Å; F774-L849 HydrophobicContact CZ-CD1 3.67Å; F774-L849 HydrophobicContact CZ-CD2 3.91Å; F774-L849 HydrophobicContact CZ-CG 4.44Å; L786-L849 HydrophobicContact CB-CD1 3.97Å; L786-L849 HydrophobicContact CD1-CD1 4.47Å; L788-L849 HydrophobicContact CD1-CD1 4.33Å; L846-L849 HydrophobicContact CD2-CB 4.45Å; L849-L851 HydrophobicContact CD1-CD1 4.39Å; L849-L851 HydrophobicContact CD1-CD2 4.43Å; L849-L851 HydrophobicContact CD1-CG 4.05Å; L849-L851 HydrophobicContact CD2-CD1 3.75Å; L849-L851 HydrophobicContact CD2-CG 4.28Å; L849-L851 HydrophobicContact CG-CD1 3.98Å; L849-L851 HydrophobicContact CG-CG 3.95Å; L849-L864 HydrophobicContact CD2-CD2 4.05Å; L849-L867 HydrophobicContact CD2-CD1 3.87Å; L849-L870 HydrophobicContact CB-CD1 3.75Å; L849-A872 PolarHBondContact N-O 3.05Å; L849-A872 VanDerWaalsContact N-O 3.12Å; L849-L873 HydrophobicContact CB-CD1 4.23Å; L849-L873 HydrophobicContact CD2-CD1 4.03Å; L849-L873 HydrophobicContact CG-CD1 4.17Å; L849-F874 PolarHBondContact O-N 3.34Å
850H95.9Very high87.7Confident28 Ų2837.3 Ų37.313%0.1323%0.23CC..EExtended strand (participates in β ladder)trans-106.2118.8174.5-57.9-95.9000112L786 Y787 L788 N789 V848 F874L786-H850 PolarHBondContact O-N 2.72Å; Y787-H850 HydrophobicContact CD1-CB 4.29Å; Y787-H850 AromaticContact CD1-CD2 3.29Å; Y787-H850 WeakPolarHBondContact CD1-CD2 3.49Å; Y787-H850 AromaticContact CD1-CG 3.81Å; Y787-H850 AromaticContact CD1-NE2 3.76Å; Y787-H850 AromaticContact CE1-CD2 3.37Å; Y787-H850 WeakPolarHBondContact CE1-CD2 3.22Å; Y787-H850 AromaticContact CE1-NE2 3.32Å; Y787-H850 VanDerWaalsContact CE1-NE2 3.32Å; Y787-H850 WeakPolarHBondContact CE1-NE2 3.49Å; L788-H850 CarbonylContact C-O 3.07Å; L788-H850 WeakPolarHBondContact CA-O 3.48Å; L788-H850 WeakPolarHBondContact CB-O 3.36Å; L788-H850 PolarHBondContact N-O 2.87Å; N789-H850 VanDerWaalsContact OD1-CB 3.3Å; N789-H850 WeakPolarHBondContact OD1-CB 3.31Å; V848-H850 WeakPolarHBondContact CG1-NE2 3.21Å; H850-F874 HydrophobicContact CB-CB 4.46Å; H850-F874 AromaticContact CE1-CD2 3.2Å; H850-F874 WeakPolarHBondContact CE1-CD2 3.47Å; H850-F874 AromaticContact CE1-CE2 3.3Å; H850-F874 WeakPolarHBondContact CE1-CE2 3.17Å; H850-F874 AromaticContact CE1-CG 3.8Å; H850-F874 AromaticContact CE1-CZ 3.97Å; H850-F874 AromaticContact CG-CD2 3.83Å; H850-F874 AromaticContact ND1-CD2 3.17Å; H850-F874 WeakPolarHBondContact ND1-CD2 3.41Å; H850-F874 AromaticContact ND1-CE2 3.79Å; H850-F874 AromaticContact ND1-CG 3.44Å; H850-F874 WeakPolarHBondContact ND1-CG 3.35Å; H850-F874 AromaticContact NE2-CD2 3.87Å; H850-F874 AromaticContact NE2-CE2 3.87Å
851L94.6Very high88.1Confident1 Ų134.6 Ų34.61%0.00522%0.221CC..  trans-130.227.5-177.4-73.6174000112.4F774 L788 N789 I793 L849 N854 I856 F874 L875 N878F774-L851 HydrophobicContact CE1-CD2 4.17Å; F774-L851 HydrophobicContact CZ-CD2 4.48Å; L788-L851 HydrophobicContact CB-CD2 3.94Å; L788-L851 HydrophobicContact CD1-CD2 4.24Å; N789-L851 PolarHBondContact OD1-N 3.47Å; I793-L851 HydrophobicContact CB-CD2 4.16Å; I793-L851 HydrophobicContact CG1-CD2 4.03Å; I793-L851 HydrophobicContact CG2-CD2 4.18Å; L849-L851 HydrophobicContact CD1-CD1 4.39Å; L849-L851 HydrophobicContact CD1-CD2 4.43Å; L849-L851 HydrophobicContact CD1-CG 4.05Å; L849-L851 HydrophobicContact CD2-CD1 3.75Å; L849-L851 HydrophobicContact CD2-CG 4.28Å; L849-L851 HydrophobicContact CG-CD1 3.98Å; L849-L851 HydrophobicContact CG-CG 3.95Å; L851-N854 VanDerWaalsContact C-ND2 3.32Å; L851-N854 PolarHBondContact O-ND2 3.47Å; L851-N854 VanDerWaalsContact O-ND2 3.11Å; L851-I856 HydrophobicContact CB-CD1 4.2Å; L851-F874 CarbonylContact C-O 3.04Å; L851-F874 WeakPolarHBondContact CA-O 3.35Å; L851-F874 PolarHBondContact N-O 3.1Å; L851-L875 HydrophobicContact CB-CD2 3.71Å; L851-L875 HydrophobicContact CD1-CD2 4.12Å; L851-N878 PolarHBondContact O-ND2 2.91Å
852S92.4Very high88.4Confident7 Ų730.4 Ų30.45%0.04919%0.194CC..THydrogen-bonded Turntrans-64.6150.917867.10000112.2N789 H790 N854 Q876N789-S852 WeakPolarHBondContact CA-O 3.37Å; N789-S852 WeakPolarHBondContact CB-OG 3.4Å; N789-S852 WeakPolarHBondContact OD1-CB 3.46Å; N789-S852 PolarHBondContact OD1-N 2.97Å; N789-S852 PolarHBondContact OD1-OG 3.33Å; H790-S852 PolarHBondContact N-O 3.36Å; S852-N854 PolarHBondContact O-N 3.45Å; S852-N854 PolarHBondContact O-ND2 3.23Å; S852-Q876 WeakPolarHBondContact CA-O 3.29Å; S852-Q876 VanDerWaalsContact CB-O 3.3Å; S852-Q876 WeakPolarHBondContact CB-O 3.37Å
853H91.9Very high88.6Confident80 Ų8031.7 Ų31.737%0.3720%0.199SC..THydrogen-bonded Turntrans52.746.9178.5-64.7-84.7000114.4H790 Q876 D877H790-H853 WeakPolarHBondContact CA-O 3.43Å; H790-H853 AromaticContact CE1-CD2 3.4Å; H790-H853 PolarHBondContact CE1-CD2 3Å; H790-H853 AromaticContact CE1-CG 3.87Å; H790-H853 AromaticContact NE2-CD2 3.5Å; H790-H853 PolarHBondContact NE2-CD2 3.37Å; H790-H853 AromaticContact NE2-CG 3.63Å; H790-H853 AromaticContact NE2-NE2 3.99Å; H853-Q876 PolarHBondContact N-O 2.89Å; H853-D877 VanDerWaalsContact CA-O 3.29Å; H853-D877 WeakPolarHBondContact CA-O 3.27Å; H853-D877 WeakPolarHBondContact CE1-CB 3.42Å; H853-D877 IonicContact CE1-OD1 3.54Å; H853-D877 IonicContact CE1-OD2 2.84Å; H853-D877 PolarHBondContact N-O 3.49Å; H853-D877 WeakPolarHBondContact ND1-CB 3.31Å; H853-D877 WeakPolarHBondContact NE2-CB 3.43Å; H853-D877 VanDerWaalsContact NE2-CG 3.34Å; H853-D877 IonicContact NE2-OD1 3.6Å; H853-D877 IonicContact NE2-OD2 3.23Å; H853-D877 PolarHBondContact NE2-OD2 2.77Å
854N90.7Very high88.9Confident8 Ų831 Ų314%0.04320%0.196CC..SBendtrans-106.3-4177.9-88.5-91000114.2L788 N791 H792 I793 L851 S852 I856 N878L788-N854 PolarHBondContact O-ND2 3.21Å; N791-N854 WeakPolarHBondContact CA-OD1 3.43Å; N791-N854 WeakPolarHBondContact CB-OD1 3.4Å; N791-N854 WeakPolarHBondContact O-CA 3.4Å; N791-N854 PolarHBondContact O-OD1 3.15Å; H792-N854 PolarHBondContact N-OD1 3.15Å; I793-N854 WeakPolarHBondContact CB-OD1 3.35Å; I793-N854 VanDerWaalsContact CG1-OD1 3.27Å; I793-N854 WeakPolarHBondContact CG1-OD1 3.42Å; I793-N854 PolarHBondContact N-OD1 3.31Å; L851-N854 VanDerWaalsContact C-ND2 3.32Å; L851-N854 PolarHBondContact O-ND2 3.47Å; L851-N854 VanDerWaalsContact O-ND2 3.11Å; S852-N854 PolarHBondContact O-N 3.45Å; S852-N854 PolarHBondContact O-ND2 3.23Å; N854-I856 VanDerWaalsContact C-N 3.28Å; N854-I856 HydrophobicContact CB-CD1 3.68Å; N854-I856 HydrophobicContact CB-CG1 3.77Å; N854-I856 PolarHBondContact O-N 2.8Å; N854-N878 WeakPolarHBondContact CA-OD1 3.27Å; N854-N878 PolarHBondContact N-OD1 2.99Å
855G89.6Confident89Confident51 Ų5129.7 Ų29.753%0.52618%0.179SC..  trans68.527.8-176.400000113S857 N878G855-S857 PolarHBondContact O-N 3.09Å; G855-N878 PolarHBondContact N-OD1 3.49Å
856I91.1Very high88.9Confident9 Ų929.5 Ų29.55%0.04617%0.174CC..  trans-72.4123.6-178.6-62.2160.2000108.8L851 N854 L862 L875 N878 E879 I880L851-I856 HydrophobicContact CB-CD1 4.2Å; N854-I856 VanDerWaalsContact C-N 3.28Å; N854-I856 HydrophobicContact CB-CD1 3.68Å; N854-I856 HydrophobicContact CB-CG1 3.77Å; N854-I856 PolarHBondContact O-N 2.8Å; I856-L862 HydrophobicContact CD1-CD1 4.04Å; I856-L862 HydrophobicContact CG2-CD1 3.94Å; I856-L862 HydrophobicContact CG2-CG 4.48Å; I856-L875 HydrophobicContact CD1-CD2 3.78Å; I856-N878 HydrophobicContact CB-CB 4.2Å; I856-N878 PolarHBondContact N-OD1 3.06Å; I856-E879 CarbonylContact O-C 3.58Å; I856-E879 WeakPolarHBondContact O-CA 3.16Å; I856-E879 PolarHBondContact O-N 3.03Å; I856-I880 HydrophobicContact CG2-CG1 4.16Å; I856-I880 WeakPolarHBondContact O-CG1 3.37Å; I856-I880 PolarHBondContact O-N 3.32Å; I856-I880 VanDerWaalsContact O-N 3.15Å
857S88.8Confident88.7Confident64 Ų6429.6 Ų29.645%0.44817%0.174SC..  trans-107.9-28.2177.9550000114.1G855 E879 R881G855-S857 PolarHBondContact O-N 3.09Å; S857-E879 WeakPolarHBondContact CA-O 3.46Å; S857-R881 PolarHBondContact O-N 3.4Å
858N85.8Confident88.4Confident54 Ų5429 Ų2929%0.28917%0.174SC..  trans-130.1122.4179.7176.9-55.3000108.8A860 N861 E884N858-A860 WeakPolarHBondContact OD1-CA 3.47Å; N858-A860 WeakPolarHBondContact OD1-CB 3.36Å; N858-A860 PolarHBondContact OD1-N 2.92Å; N858-N861 PolarHBondContact OD1-N 2.92Å; N858-E884 PolarHBondContact ND2-OE1 2.86Å; N858-E884 PolarHBondContact OD1-OE1 3.28Å; N858-E884 VanDerWaalsContact OD1-OE1 3.06Å
859M86.2Confident88.1Confident0 Ų029.9 Ų29.90%018%0.178CC..SBendtrans-81.4-27.8-177.7-68.6178.663.200113.1N861 L862 L864 L875 I880 E884 L886 L897M859-N861 VanDerWaalsContact C-N 3.27Å; M859-N861 PolarHBondContact O-N 3.08Å; M859-L862 WeakPolarHBondContact O-CB 3.31Å; M859-L862 PolarHBondContact O-N 3.21Å; M859-L862 VanDerWaalsContact O-N 3.11Å; M859-L864 HydrophobicContact CE-CD1 4.25Å; M859-L875 HydrophobicContact CE-CD1 3.5Å; M859-L875 HydrophobicContact SD-CD1 4.26Å; M859-I880 HydrophobicContact CG-CD1 3.9Å; M859-I880 HydrophobicContact CG-CG1 4.09Å; M859-I880 HydrophobicContact CG-CG2 3.9Å; M859-I880 HydrophobicContact SD-CD1 3.88Å; M859-I880 HydrophobicContact SD-CG1 4.45Å; M859-I880 HydrophobicContact SD-CG2 3.72Å; M859-E884 HydrophobicContact CB-CG 4.41Å; M859-E884 WeakPolarHBondContact CB-O 3.32Å; M859-L886 HydrophobicContact CE-CD1 3.98Å; M859-L886 HydrophobicContact CE-CD2 3.63Å; M859-L886 HydrophobicContact CE-CG 3.86Å; M859-L897 HydrophobicContact SD-CD2 4.17Å
860A82.1Confident88Confident40 Ų4029.9 Ų29.933%0.33118%0.178SC..G310 helixtrans-61.5-36.4178.400000112.1N858 L862 E863 E884N858-A860 WeakPolarHBondContact OD1-CA 3.47Å; N858-A860 WeakPolarHBondContact OD1-CB 3.36Å; N858-A860 PolarHBondContact OD1-N 2.92Å; A860-L862 PolarHBondContact O-N 3.48Å; A860-L862 VanDerWaalsContact O-N 3.14Å; A860-E863 PolarHBondContact O-N 2.89Å; A860-E884 HydrophobicContact CB-CG 3.85Å
861N81.8Confident87.9Confident96 Ų9632.4 Ų32.451%0.51319%0.189SC..G310 helixtrans-62.4-19.4176.9-73.5-22000114.4S795 N858 M859 E863S795-N861 PolarHBondContact OG-O 3.44Å; N858-N861 PolarHBondContact OD1-N 2.92Å; M859-N861 VanDerWaalsContact C-N 3.27Å; M859-N861 PolarHBondContact O-N 3.08Å; N861-E863 VanDerWaalsContact C-N 3.31Å
862L81.2Confident87.9Confident2 Ų232.8 Ų32.81%0.0119%0.192CC..G310 helixtrans-76.4-21.5176.9-63.7174.2000112.1I793 I796 I856 M859 A860 L864I793-L862 HydrophobicContact CG2-CD2 4.19Å; I796-L862 WeakPolarHBondContact CD1-O 3.37Å; I796-L862 WeakPolarHBondContact CG1-O 3.44Å; I796-L862 PolarHBondContact N-O 2.91Å; I856-L862 HydrophobicContact CD1-CD1 4.04Å; I856-L862 HydrophobicContact CG2-CD1 3.94Å; I856-L862 HydrophobicContact CG2-CG 4.48Å; M859-L862 WeakPolarHBondContact O-CB 3.31Å; M859-L862 PolarHBondContact O-N 3.21Å; M859-L862 VanDerWaalsContact O-N 3.11Å; A860-L862 PolarHBondContact O-N 3.48Å; A860-L862 VanDerWaalsContact O-N 3.14Å; L862-L864 VanDerWaalsContact C-N 3.28Å; L862-L864 HydrophobicContact CB-CD1 4.36Å; L862-L864 HydrophobicContact CB-CD2 4.35Å; L862-L864 HydrophobicContact CB-CG 3.82Å; L862-L864 HydrophobicContact CD1-CD1 4.01Å; L862-L864 HydrophobicContact CD1-CG 4.28Å; L862-L864 PolarHBondContact O-N 3.48Å
863E84.1Confident88.1Confident58 Ų5832.5 Ų32.527%0.27119%0.19SC..THydrogen-bonded Turntrans57.137.3-173.6-55.5-179.9-176.700113.2A860 N861 S865 R866A860-E863 PolarHBondContact O-N 2.89Å; N861-E863 VanDerWaalsContact C-N 3.31Å; E863-S865 PolarHBondContact O-N 2.93Å; E863-S865 VanDerWaalsContact O-N 3.08Å; E863-R866 HydrophobicContact CB-CG 4.49Å; E863-R866 WeakPolarHBondContact O-CG 3.46Å; E863-R866 PolarHBondContact O-N 3.47Å; E863-R866 IonicContact OE2-NH1 2.69Å; E863-R866 PolarHBondContact OE2-NH1 3Å; E863-R866 VanDerWaalsContact OE2-NH1 3.1Å
864L85.3Confident88.3Confident0 Ų030 Ų300%018%0.178CC..G310 helixtrans-58-24.1-178.3-68.9169.8000113.3I796 L849 M859 L862 R866 L867 L873 L886 L889I796-L864 HydrophobicContact CD1-CD2 4.27Å; L849-L864 HydrophobicContact CD2-CD2 4.05Å; M859-L864 HydrophobicContact CE-CD1 4.25Å; L862-L864 VanDerWaalsContact C-N 3.28Å; L862-L864 HydrophobicContact CB-CD1 4.36Å; L862-L864 HydrophobicContact CB-CD2 4.35Å; L862-L864 HydrophobicContact CB-CG 3.82Å; L862-L864 HydrophobicContact CD1-CD1 4.01Å; L862-L864 HydrophobicContact CD1-CG 4.28Å; L862-L864 PolarHBondContact O-N 3.48Å; L864-R866 PolarHBondContact O-N 3.07Å; L864-L867 HydrophobicContact CD2-CD1 3.91Å; L864-L867 WeakPolarHBondContact O-CB 3.33Å; L864-L867 PolarHBondContact O-N 3.2Å; L864-L873 HydrophobicContact CD1-CD2 4Å; L864-L886 HydrophobicContact CB-CD2 4.5Å; L864-L886 HydrophobicContact CD1-CD2 3.98Å; L864-L889 HydrophobicContact CB-CD1 4.5Å; L864-L889 WeakPolarHBondContact O-CD2 3.28Å
865S83Confident88.5Confident16 Ų1629.7 Ų29.711%0.11218%0.176CC..G310 helixtrans-55.1-14176.260.50000115.1E863 G885 E887E863-S865 PolarHBondContact O-N 2.93Å; E863-S865 VanDerWaalsContact O-N 3.08Å; S865-G885 PolarHBondContact N-O 3.14Å; S865-E887 WeakPolarHBondContact CA-O 3.35Å; S865-E887 WeakPolarHBondContact CB-O 3.26Å
866R83.6Confident88.7Confident25 Ų2529.4 Ų29.49%0.09416%0.161CC..G310 helixtrans-82.9-16.4176.7-57.7177.970.3-178.10.6113.3L839 E840 P841 L842 E863 L864 T868L839-R866 HydrophobicContact CB-CG 3.9Å; L839-R866 HydrophobicContact CD1-CG 4.38Å; E840-R866 PolarHBondContact O-NE 2.91Å; E840-R866 PolarHBondContact O-NH2 3.03Å; P841-R866 CarbonylContact C-O 3.51Å; P841-R866 WeakPolarHBondContact CA-O 3.37Å; L842-R866 HydrophobicContact CB-CB 4.23Å; L842-R866 VanDerWaalsContact CD1-NH2 3.28Å; L842-R866 HydrophobicContact CG-CB 4.48Å; L842-R866 VanDerWaalsContact CG-NH2 3.28Å; L842-R866 PolarHBondContact N-O 3.27Å; E863-R866 HydrophobicContact CB-CG 4.49Å; E863-R866 WeakPolarHBondContact O-CG 3.46Å; E863-R866 PolarHBondContact O-N 3.47Å; E863-R866 IonicContact OE2-NH1 2.69Å; E863-R866 PolarHBondContact OE2-NH1 3Å; E863-R866 VanDerWaalsContact OE2-NH1 3.1Å; L864-R866 PolarHBondContact O-N 3.07Å; R866-T868 PolarHBondContact O-N 3.37Å
867L88.4Confident88.9Confident1 Ų131.5 Ų31.51%0.00517%0.172CC..  trans-9261.9-176.3-57177.1000111.8I796 M843 L846 L849 L864 N869 L870 L889I796-L867 HydrophobicContact CD1-CD1 3.87Å; I796-L867 HydrophobicContact CD1-CD2 4.39Å; I796-L867 HydrophobicContact CD1-CG 4.01Å; M843-L867 HydrophobicContact CB-CD2 3.98Å; M843-L867 HydrophobicContact CG-CD2 4.45Å; L846-L867 HydrophobicContact CD2-CD1 4.08Å; L846-L867 HydrophobicContact CD2-CD2 4.16Å; L849-L867 HydrophobicContact CD2-CD1 3.87Å; L864-L867 HydrophobicContact CD2-CD1 3.91Å; L864-L867 WeakPolarHBondContact O-CB 3.33Å; L864-L867 PolarHBondContact O-N 3.2Å; L867-N869 PolarHBondContact O-N 3.43Å; L867-L870 WeakPolarHBondContact O-CB 3.39Å; L867-L870 PolarHBondContact O-N 3.29Å; L867-L870 VanDerWaalsContact O-N 3.16Å; L867-L889 HydrophobicContact CB-CD2 4.38Å; L867-L889 WeakPolarHBondContact O-CD2 3.46Å
868T87.7Confident89.1Confident39 Ų3928.9 Ų28.924%0.23915%0.153CC..THydrogen-bonded Turntrans-63.5-16.9-164.7580000116.4P841 R866P841-T868 HydrophobicContact CB-CG2 4.32Å; R866-T868 PolarHBondContact O-N 3.37Å
869N90.2Very high89.5Confident48 Ų4829.9 Ų29.926%0.25716%0.157SC..THydrogen-bonded Turntrans-99.76.9-179.5-82.2-34.4000114.6G844 L846 L867 K871 K891G844-N869 PolarHBondContact O-ND2 2.9Å; L846-N869 CarbonylContact O-C 3.27Å; L867-N869 PolarHBondContact O-N 3.43Å; N869-K871 PolarHBondContact O-N 2.87Å; N869-K891 WeakPolarHBondContact OD1-CD 3.43Å; N869-K891 WeakPolarHBondContact OD1-CE 3.27Å; N869-K891 PolarHBondContact OD1-NZ 2.97Å
870L93Very high89.8Confident0 Ų029.9 Ų29.90%016%0.157CC..  trans-64.1133-179.5-159.371000111.7L846 L849 L867 L873 L889 K891 L892L846-L870 HydrophobicContact CD2-CD1 4.25Å; L846-L870 HydrophobicContact CG-CD1 4.17Å; L846-L870 PolarHBondContact O-N 3.02Å; L849-L870 HydrophobicContact CB-CD1 3.75Å; L867-L870 WeakPolarHBondContact O-CB 3.39Å; L867-L870 PolarHBondContact O-N 3.29Å; L867-L870 VanDerWaalsContact O-N 3.16Å; L870-L873 HydrophobicContact CD2-CB 3.92Å; L870-L873 HydrophobicContact CD2-CD1 4.14Å; L870-L873 HydrophobicContact CD2-CD2 4.32Å; L870-L873 HydrophobicContact CD2-CG 4.35Å; L870-L889 HydrophobicContact CB-CD2 4.33Å; L870-K891 CarbonylContact O-C 3.43Å; L870-L892 HydrophobicContact CD2-CD1 4.27Å; L870-L892 HydrophobicContact CG-CD1 4.32Å; L870-L892 WeakPolarHBondContact O-CA 3.34Å; L870-L892 PolarHBondContact O-N 3.25Å
871K94.4Very high90.2Very high82 Ų8235.7 Ų35.736%0.35717%0.17SC..  trans-111.5-34.6179.3-63.3177.4-174165.30112.6E847 N869 K893 E894E847-K871 HydrophobicContact CB-CD 4.37Å; E847-K871 PolarHBondContact O-N 3.34Å; E847-K871 IonicContact OE1-NZ 2.91Å; E847-K871 WeakPolarHBondContact OE2-CE 3.4Å; E847-K871 IonicContact OE2-NZ 3.38Å; E847-K871 PolarHBondContact OE2-NZ 3.25Å; N869-K871 PolarHBondContact O-N 2.87Å; K871-K893 PolarHBondContact O-N 2.89Å; K871-E894 PolarHBondContact O-N 3.44Å; K871-E894 VanDerWaalsContact O-N 3.1Å
872A95.8Very high90.4Very high9 Ų936.6 Ų36.67%0.07417%0.171CC..EExtended strand (participates in β ladder)trans-134.8132.1178.800000111E847 V848 L849 F874 E894E847-A872 PolarHBondContact O-N 2.69Å; E847-A872 VanDerWaalsContact O-N 3.14Å; V848-A872 HydrophobicContact CG1-CB 4.3Å; V848-A872 HydrophobicContact CG2-CB 4.37Å; L849-A872 PolarHBondContact N-O 3.05Å; L849-A872 VanDerWaalsContact N-O 3.12Å; A872-F874 HydrophobicContact CB-CE2 3.8Å; A872-F874 HydrophobicContact CB-CZ 4.23Å; A872-E894 WeakPolarHBondContact CA-O 3.4Å; A872-E894 HydrophobicContact CB-CB 4.04Å
873L95.6Very high90.8Very high0 Ų036.6 Ų36.60%017%0.171CC..EExtended strand (participates in β ladder)trans-130.5119.3-178.8178.558.1000110.8L849 L864 L870 L875 L886 L892 E894 L895 V896L849-L873 HydrophobicContact CB-CD1 4.23Å; L849-L873 HydrophobicContact CD2-CD1 4.03Å; L849-L873 HydrophobicContact CG-CD1 4.17Å; L864-L873 HydrophobicContact CD1-CD2 4Å; L870-L873 HydrophobicContact CD2-CB 3.92Å; L870-L873 HydrophobicContact CD2-CD1 4.14Å; L870-L873 HydrophobicContact CD2-CD2 4.32Å; L870-L873 HydrophobicContact CD2-CG 4.35Å; L873-L875 HydrophobicContact CD1-CD1 4.17Å; L873-L875 HydrophobicContact CD1-CG 4.08Å; L873-L875 HydrophobicContact CD2-CD1 3.73Å; L873-L875 HydrophobicContact CD2-CG 4.49Å; L873-L875 HydrophobicContact CG-CD1 3.83Å; L873-L875 HydrophobicContact CG-CG 4.07Å; L873-L886 HydrophobicContact CD2-CD2 3.86Å; L873-L892 HydrophobicContact CB-CD1 3.89Å; L873-E894 PolarHBondContact N-O 2.67Å; L873-L895 HydrophobicContact CB-CD1 4.06Å; L873-L895 HydrophobicContact CD2-CD1 3.92Å; L873-L895 HydrophobicContact CG-CD1 4.06Å; L873-V896 PolarHBondContact O-N 3.26Å
874F96.2Very high90.9Very high29 Ų2936.8 Ų36.813%0.12717%0.172CC..EExtended strand (participates in β ladder)trans-110.6113.5-178.3-58.9-88.1000110.7V848 L849 H850 L851 A872 E894 V896V848-F874 HydrophobicContact CG1-CD2 4.38Å; V848-F874 HydrophobicContact CG1-CE2 3.91Å; L849-F874 PolarHBondContact O-N 3.34Å; H850-F874 HydrophobicContact CB-CB 4.46Å; H850-F874 AromaticContact CE1-CD2 3.2Å; H850-F874 WeakPolarHBondContact CE1-CD2 3.47Å; H850-F874 AromaticContact CE1-CE2 3.3Å; H850-F874 WeakPolarHBondContact CE1-CE2 3.17Å; H850-F874 AromaticContact CE1-CG 3.8Å; H850-F874 AromaticContact CE1-CZ 3.97Å; H850-F874 AromaticContact CG-CD2 3.83Å; H850-F874 AromaticContact ND1-CD2 3.17Å; H850-F874 WeakPolarHBondContact ND1-CD2 3.41Å; H850-F874 AromaticContact ND1-CE2 3.79Å; H850-F874 AromaticContact ND1-CG 3.44Å; H850-F874 WeakPolarHBondContact ND1-CG 3.35Å; H850-F874 AromaticContact NE2-CD2 3.87Å; H850-F874 AromaticContact NE2-CE2 3.87Å; L851-F874 CarbonylContact C-O 3.04Å; L851-F874 WeakPolarHBondContact CA-O 3.35Å; L851-F874 PolarHBondContact N-O 3.1Å; A872-F874 HydrophobicContact CB-CE2 3.8Å; A872-F874 HydrophobicContact CB-CZ 4.23Å; F874-E894 WeakPolarHBondContact CE1-OE1 3.24Å; F874-E894 WeakPolarHBondContact CZ-OE1 3.34Å; F874-V896 HydrophobicContact CD1-CB 3.9Å; F874-V896 HydrophobicContact CD1-CG2 3.58Å; F874-V896 HydrophobicContact CE1-CG2 3.73Å
875L94.6Very high90.6Very high0 Ų037.6 Ų37.60%018%0.18CC..  trans-129.521.5-174.7-78.2168000112.6L851 I856 M859 L873 N878 I880 V896 L897 N900L851-L875 HydrophobicContact CB-CD2 3.71Å; L851-L875 HydrophobicContact CD1-CD2 4.12Å; I856-L875 HydrophobicContact CD1-CD2 3.78Å; M859-L875 HydrophobicContact CE-CD1 3.5Å; M859-L875 HydrophobicContact SD-CD1 4.26Å; L873-L875 HydrophobicContact CD1-CD1 4.17Å; L873-L875 HydrophobicContact CD1-CG 4.08Å; L873-L875 HydrophobicContact CD2-CD1 3.73Å; L873-L875 HydrophobicContact CD2-CG 4.49Å; L873-L875 HydrophobicContact CG-CD1 3.83Å; L873-L875 HydrophobicContact CG-CG 4.07Å; L875-N878 PolarHBondContact O-ND2 2.96Å; L875-I880 HydrophobicContact CB-CD1 4.04Å; L875-I880 HydrophobicContact CD1-CD1 4.28Å; L875-I880 HydrophobicContact CD2-CD1 4.4Å; L875-V896 CarbonylContact C-O 3.11Å; L875-V896 WeakPolarHBondContact CA-O 3.13Å; L875-V896 PolarHBondContact N-O 3.41Å; L875-L897 HydrophobicContact CB-CD2 3.78Å; L875-L897 HydrophobicContact CD1-CD2 3.96Å; L875-N900 PolarHBondContact O-ND2 2.76Å
876Q94.6Very high90.7Very high45 Ų4537 Ų3721%0.2118%0.176CC..  trans-61.9154.5178.470-84.234.900112.8S852 H853 N878 V896 D898S852-Q876 WeakPolarHBondContact CA-O 3.29Å; S852-Q876 VanDerWaalsContact CB-O 3.3Å; S852-Q876 WeakPolarHBondContact CB-O 3.37Å; H853-Q876 PolarHBondContact N-O 2.89Å; Q876-N878 PolarHBondContact O-N 2.85Å; Q876-N878 PolarHBondContact O-ND2 3.45Å; Q876-V896 HydrophobicContact CB-CG1 4.21Å; Q876-D898 WeakPolarHBondContact CA-O 3.02Å; Q876-D898 HydrophobicContact CB-CB 4.2Å; Q876-D898 WeakPolarHBondContact CB-O 3.16Å
877D94.2Very high90.6Very high53 Ų5341.2 Ų41.228%0.28320%0.197SC..SBendtrans58.145.6176.7-63.8-80.3000113.4H853 D898 R899H853-D877 VanDerWaalsContact CA-O 3.29Å; H853-D877 WeakPolarHBondContact CA-O 3.27Å; H853-D877 WeakPolarHBondContact CE1-CB 3.42Å; H853-D877 IonicContact CE1-OD1 3.54Å; H853-D877 IonicContact CE1-OD2 2.84Å; H853-D877 PolarHBondContact N-O 3.49Å; H853-D877 WeakPolarHBondContact ND1-CB 3.31Å; H853-D877 WeakPolarHBondContact NE2-CB 3.43Å; H853-D877 VanDerWaalsContact NE2-CG 3.34Å; H853-D877 IonicContact NE2-OD1 3.6Å; H853-D877 IonicContact NE2-OD2 3.23Å; H853-D877 PolarHBondContact NE2-OD2 2.77Å; D877-D898 PolarHBondContact N-O 3.21Å; D877-D898 VanDerWaalsContact N-O 3.09Å; D877-R899 WeakPolarHBondContact CA-O 3.43Å; D877-R899 WeakPolarHBondContact OD1-CD 3.22Å
878N94.4Very high90.3Very high9 Ų945.2 Ų45.25%0.04821%0.212CC..SBendtrans-116-171.5172.6-79.6-69.3000110.5L851 N854 G855 I856 L875 Q876 I880 N900L851-N878 PolarHBondContact O-ND2 2.91Å; N854-N878 WeakPolarHBondContact CA-OD1 3.27Å; N854-N878 PolarHBondContact N-OD1 2.99Å; G855-N878 PolarHBondContact N-OD1 3.49Å; I856-N878 HydrophobicContact CB-CB 4.2Å; I856-N878 PolarHBondContact N-OD1 3.06Å; L875-N878 PolarHBondContact O-ND2 2.96Å; Q876-N878 PolarHBondContact O-N 2.85Å; Q876-N878 PolarHBondContact O-ND2 3.45Å; N878-I880 HydrophobicContact CB-CD1 4.11Å; N878-I880 HydrophobicContact CB-CG1 4.05Å; N878-N900 WeakPolarHBondContact CA-OD1 3.18Å; N878-N900 WeakPolarHBondContact CB-OD1 3.47Å; N878-N900 PolarHBondContact N-OD1 2.85Å; N878-N900 PolarHBondContact O-OD1 2.93Å
879E93.2Very high90.2Very high76 Ų7643.3 Ų43.336%0.35520%0.2SC..  trans-111.428179.4-58.3-155.9141.100112.9I856 S857 R881 R901I856-E879 CarbonylContact O-C 3.58Å; I856-E879 WeakPolarHBondContact O-CA 3.16Å; I856-E879 PolarHBondContact O-N 3.03Å; S857-E879 WeakPolarHBondContact CA-O 3.46Å; E879-R881 PolarHBondContact O-N 2.75Å; E879-R901 IonicContact OE1-CZ 3.65Å; E879-R901 VanDerWaalsContact OE1-CZ 3.26Å; E879-R901 IonicContact OE1-NH1 3.84Å; E879-R901 PolarHBondContact OE1-NH1 2.91Å; E879-R901 IonicContact OE1-NH2 3.4Å; E879-R901 PolarHBondContact OE1-NH2 2.91Å; E879-R901 IonicContact OE2-NH1 2.59Å
880I92.6Very high90Very high0 Ų047.9 Ų47.90%022%0.215CC..  trans-65.8130.1-171.4-60.5165.8000109.9I856 M859 L875 N878 Q882 L897 N900 R901 I902I856-I880 HydrophobicContact CG2-CG1 4.16Å; I856-I880 WeakPolarHBondContact O-CG1 3.37Å; I856-I880 PolarHBondContact O-N 3.32Å; I856-I880 VanDerWaalsContact O-N 3.15Å; M859-I880 HydrophobicContact CG-CD1 3.9Å; M859-I880 HydrophobicContact CG-CG1 4.09Å; M859-I880 HydrophobicContact CG-CG2 3.9Å; M859-I880 HydrophobicContact SD-CD1 3.88Å; M859-I880 HydrophobicContact SD-CG1 4.45Å; M859-I880 HydrophobicContact SD-CG2 3.72Å; L875-I880 HydrophobicContact CB-CD1 4.04Å; L875-I880 HydrophobicContact CD1-CD1 4.28Å; L875-I880 HydrophobicContact CD2-CD1 4.4Å; N878-I880 HydrophobicContact CB-CD1 4.11Å; N878-I880 HydrophobicContact CB-CG1 4.05Å; I880-Q882 VanDerWaalsContact CG2-O 3.27Å; I880-Q882 WeakPolarHBondContact CG2-O 3.43Å; I880-L897 HydrophobicContact CD1-CD2 3.83Å; I880-N900 HydrophobicContact CB-CB 4.27Å; I880-N900 VanDerWaalsContact CB-OD1 3.29Å; I880-N900 WeakPolarHBondContact CB-OD1 3.32Å; I880-N900 WeakPolarHBondContact CG1-OD1 3.36Å; I880-N900 PolarHBondContact N-OD1 3.01Å; I880-R901 CarbonylContact O-C 3.05Å; I880-R901 VanDerWaalsContact O-CA 3.27Å; I880-R901 WeakPolarHBondContact O-CA 3.45Å; I880-R901 PolarHBondContact O-N 3.28Å; I880-I902 HydrophobicContact CG2-CG1 4.26Å; I880-I902 PolarHBondContact O-N 3.06Å
881R90.2Very high89.8Confident161 Ų16153.2 Ų53.261%0.60824%0.238SC*.  trans-102.4-29-179.3-61.9-176.1-177.5-171.11114S857 E879 I902S857-R881 PolarHBondContact O-N 3.4Å; E879-R881 PolarHBondContact O-N 2.75Å; R881-I902 WeakPolarHBondContact O-CA 3.34Å
882Q87.1Confident89.7Confident116 Ų11649.3 Ų49.354%0.54222%0.221SC..SBendtrans-145145.5-176.5-69.1180-6.600108.8I880I880-Q882 VanDerWaalsContact CG2-O 3.27Å; I880-Q882 WeakPolarHBondContact CG2-O 3.43Å
883V88.1Confident89.6Confident1 Ų153.5 Ų53.51%0.00624%0.238CC..  trans-90.5107.9176.9-176.80000108L886 L897 I902 L905 S909 F910V883-L886 HydrophobicContact CG1-CD1 3.7Å; V883-L897 HydrophobicContact CG1-CD1 4.46Å; V883-L897 HydrophobicContact CG2-CD1 3.85Å; V883-I902 HydrophobicContact CG2-CD1 3.85Å; V883-L905 HydrophobicContact CG2-CD2 4.01Å; V883-S909 PolarHBondContact O-OG 3.07Å; V883-F910 HydrophobicContact CG1-CE1 4.29Å; V883-F910 HydrophobicContact CG1-CZ 4.41Å
884E86.3Confident89.6Confident62 Ų6256.1 Ų56.129%0.2925%0.25SC..  trans-146.6163.3-177.757.9175.3-17500110.9N858 M859 A860 L886N858-E884 PolarHBondContact ND2-OE1 2.86Å; N858-E884 PolarHBondContact OD1-OE1 3.28Å; N858-E884 VanDerWaalsContact OD1-OE1 3.06Å; M859-E884 HydrophobicContact CB-CG 4.41Å; M859-E884 WeakPolarHBondContact CB-O 3.32Å; A860-E884 HydrophobicContact CB-CG 3.85Å; E884-L886 VanDerWaalsContact C-N 3.32Å; E884-L886 PolarHBondContact O-N 3.11Å
885G80.1Confident89.6Confident17 Ų1754.8 Ų54.818%0.17524%0.244CC..  trans76.712.5174.700000115.8S865 E887S865-G885 PolarHBondContact N-O 3.14Å; G885-E887 VanDerWaalsContact C-N 3.32Å
886L85.3Confident89.7Confident4 Ų455.3 Ų55.32%0.02125%0.247CC..  trans-91.810.6175.3-60.5178.5000113M859 L864 L873 V883 E884 L889 L895 H913M859-L886 HydrophobicContact CE-CD1 3.98Å; M859-L886 HydrophobicContact CE-CD2 3.63Å; M859-L886 HydrophobicContact CE-CG 3.86Å; L864-L886 HydrophobicContact CB-CD2 4.5Å; L864-L886 HydrophobicContact CD1-CD2 3.98Å; L873-L886 HydrophobicContact CD2-CD2 3.86Å; V883-L886 HydrophobicContact CG1-CD1 3.7Å; E884-L886 VanDerWaalsContact C-N 3.32Å; E884-L886 PolarHBondContact O-N 3.11Å; L886-L889 HydrophobicContact CB-CD1 4.13Å; L886-L889 HydrophobicContact CD2-CD1 3.61Å; L886-L889 HydrophobicContact CG-CD1 4.48Å; L886-L889 PolarHBondContact O-N 3.42Å; L886-L895 HydrophobicContact CD1-CD2 3.93Å; L886-H913 WeakPolarHBondContact CB-CE1 3.3Å; L886-H913 PolarHBondContact O-CE1 3.2Å; L886-H913 PolarHBondContact O-NE2 2.99Å; L886-H913 VanDerWaalsContact O-NE2 3.09Å
887E81.3Confident89.7Confident114 Ų11453.1 Ų53.153%0.53324%0.237SC..THydrogen-bonded Turntrans-54.9141.9176.5-61.6172.1-163.500110.7S865 G885 L889S865-E887 WeakPolarHBondContact CA-O 3.35Å; S865-E887 WeakPolarHBondContact CB-O 3.26Å; G885-E887 VanDerWaalsContact C-N 3.32Å; E887-L889 VanDerWaalsContact C-N 3.28Å; E887-L889 PolarHBondContact O-N 3.39Å
888R80.8Confident89.7Confident84 Ų8452.2 Ų52.232%0.31723%0.232SC..THydrogen-bonded Turntrans71.62.9179-46177-179.7166.71.4117.3L839 Y890L839-R888 PolarHBondContact O-NH1 2.96Å; R888-Y890 HydrophobicContact CB-CE2 4.06Å; R888-Y890 VanDerWaalsContact O-CD2 3.32Å; R888-Y890 WeakPolarHBondContact O-CD2 3.24Å; R888-Y890 PolarHBondContact O-N 2.74Å
889L85.7Confident89.7Confident0 Ų058.4 Ų58.40%026%0.255CS..  trans-80.857172.9-61.2-178.2000112.1L864 L867 L870 L886 E887 K891 L892L864-L889 HydrophobicContact CB-CD1 4.5Å; L864-L889 WeakPolarHBondContact O-CD2 3.28Å; L867-L889 HydrophobicContact CB-CD2 4.38Å; L867-L889 WeakPolarHBondContact O-CD2 3.46Å; L870-L889 HydrophobicContact CB-CD2 4.33Å; L886-L889 HydrophobicContact CB-CD1 4.13Å; L886-L889 HydrophobicContact CD2-CD1 3.61Å; L886-L889 HydrophobicContact CG-CD1 4.48Å; L886-L889 PolarHBondContact O-N 3.42Å; E887-L889 VanDerWaalsContact C-N 3.28Å; E887-L889 PolarHBondContact O-N 3.39Å; L889-K891 PolarHBondContact O-N 3.15Å; L889-L892 HydrophobicContact CB-CB 4.3Å; L889-L892 WeakPolarHBondContact O-CB 3.48Å; L889-L892 PolarHBondContact O-N 3.42Å
890Y85.8Confident89.8Confident144 Ų14455.2 Ų55.257%0.56524%0.24SC*.THydrogen-bonded Turntrans-66-13.1-171.5-49.9-60.9000114.8R888 S915R888-Y890 HydrophobicContact CB-CE2 4.06Å; R888-Y890 VanDerWaalsContact O-CD2 3.32Å; R888-Y890 WeakPolarHBondContact O-CD2 3.24Å; R888-Y890 PolarHBondContact O-N 2.74Å; Y890-S915 WeakPolarHBondContact O-CB 3.47Å; Y890-S915 PolarHBondContact O-OG 3.38Å
891K89.1Confident89.9Confident111 Ų11159.4 Ų59.448%0.48326%0.256SS..THydrogen-bonded Turntrans-103.41.5-178.2-65.6-172.6-178.3175.90113.7N869 L870 L889 K893N869-K891 WeakPolarHBondContact OD1-CD 3.43Å; N869-K891 WeakPolarHBondContact OD1-CE 3.27Å; N869-K891 PolarHBondContact OD1-NZ 2.97Å; L870-K891 CarbonylContact O-C 3.43Å; L889-K891 PolarHBondContact O-N 3.15Å; K891-K893 PolarHBondContact O-N 3.17Å
892L92.4Very high90Very high0 Ų051.8 Ų51.80%023%0.227CC..  trans-68.3120.4-177.1-167.271.1000110.5L870 L873 L889 L895 S915 L916L870-L892 HydrophobicContact CD2-CD1 4.27Å; L870-L892 HydrophobicContact CG-CD1 4.32Å; L870-L892 WeakPolarHBondContact O-CA 3.34Å; L870-L892 PolarHBondContact O-N 3.25Å; L873-L892 HydrophobicContact CB-CD1 3.89Å; L889-L892 HydrophobicContact CB-CB 4.3Å; L889-L892 WeakPolarHBondContact O-CB 3.48Å; L889-L892 PolarHBondContact O-N 3.42Å; L892-L895 HydrophobicContact CD2-CB 4.24Å; L892-L895 HydrophobicContact CD2-CD1 4.47Å; L892-L895 HydrophobicContact CD2-CD2 4.45Å; L892-S915 CarbonylContact O-C 3.24Å; L892-S915 VanDerWaalsContact O-C 3.27Å; L892-S915 PolarHBondContact O-OG 3.29Å; L892-S915 VanDerWaalsContact O-OG 3.12Å; L892-L916 HydrophobicContact CD2-CD1 4.14Å; L892-L916 HydrophobicContact CG-CD1 4.01Å; L892-L916 WeakPolarHBondContact O-CA 3.44Å; L892-L916 PolarHBondContact O-N 2.97Å
893K94.1Very high90Very high98 Ų9851.7 Ų51.743%0.42623%0.225SC..  trans-106.1-34.9179.6-64.8-173.8175.4-167.70112.6K871 K891 Q917 E918K871-K893 PolarHBondContact O-N 2.89Å; K891-K893 PolarHBondContact O-N 3.17Å; K893-Q917 PolarHBondContact O-N 3.25Å; K893-E918 PolarHBondContact O-N 3.06Å
894E96Very high89.8Confident55 Ų5556.7 Ų56.726%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-126.7125.8-175.6-174.6-175.6174.900109.7K871 A872 L873 F874 V896 E918K871-E894 PolarHBondContact O-N 3.44Å; K871-E894 VanDerWaalsContact O-N 3.1Å; A872-E894 WeakPolarHBondContact CA-O 3.4Å; A872-E894 HydrophobicContact CB-CB 4.04Å; L873-E894 PolarHBondContact N-O 2.67Å; F874-E894 WeakPolarHBondContact CE1-OE1 3.24Å; F874-E894 WeakPolarHBondContact CZ-OE1 3.34Å; E894-V896 HydrophobicContact CG-CG2 4.31Å; E894-E918 HydrophobicContact CG-CB 4.38Å
895L95.4Very high89.7Confident1 Ų154.3 Ų54.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-131.4116.1176.9178.259.2000110.2L873 L886 L892 L897 F910 L916 E918 L919 H920L873-L895 HydrophobicContact CB-CD1 4.06Å; L873-L895 HydrophobicContact CD2-CD1 3.92Å; L873-L895 HydrophobicContact CG-CD1 4.06Å; L886-L895 HydrophobicContact CD1-CD2 3.93Å; L892-L895 HydrophobicContact CD2-CB 4.24Å; L892-L895 HydrophobicContact CD2-CD1 4.47Å; L892-L895 HydrophobicContact CD2-CD2 4.45Å; L895-L897 HydrophobicContact CD1-CD1 4.27Å; L895-L897 HydrophobicContact CD1-CG 4.1Å; L895-L897 HydrophobicContact CD2-CD1 3.85Å; L895-L897 HydrophobicContact CG-CD1 3.94Å; L895-L897 HydrophobicContact CG-CG 4.09Å; L895-F910 HydrophobicContact CD2-CE1 4.24Å; L895-L916 HydrophobicContact CB-CD1 3.85Å; L895-L916 HydrophobicContact CB-CD2 4.5Å; L895-E918 PolarHBondContact N-O 2.94Å; L895-L919 HydrophobicContact CB-CD1 4.09Å; L895-L919 HydrophobicContact CD2-CD1 3.96Å; L895-L919 HydrophobicContact CG-CD1 4.06Å; L895-H920 PolarHBondContact O-N 3.23Å
896V96.4Very high89.8Confident10 Ų1055.9 Ų55.96%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-110113.2179.8-175.70000110.7L873 F874 L875 Q876 E894 D898 H920L873-V896 PolarHBondContact O-N 3.26Å; F874-V896 HydrophobicContact CD1-CB 3.9Å; F874-V896 HydrophobicContact CD1-CG2 3.58Å; F874-V896 HydrophobicContact CE1-CG2 3.73Å; L875-V896 CarbonylContact C-O 3.11Å; L875-V896 WeakPolarHBondContact CA-O 3.13Å; L875-V896 PolarHBondContact N-O 3.41Å; Q876-V896 HydrophobicContact CB-CG1 4.21Å; E894-V896 HydrophobicContact CG-CG2 4.31Å; V896-D898 HydrophobicContact CG1-CB 4.46Å; V896-H920 HydrophobicContact CB-CB 4.38Å; V896-H920 HydrophobicContact CG1-CB 4.07Å; V896-H920 HydrophobicContact CG2-CB 4.38Å
897L94.7Very high89.4Confident0 Ų062.5 Ų62.50%028%0.277CS..  trans-12422.6-178.4-72.5167.4000112.2M859 L875 I880 V883 L895 N900 I902 H920 L921 N924M859-L897 HydrophobicContact SD-CD2 4.17Å; L875-L897 HydrophobicContact CB-CD2 3.78Å; L875-L897 HydrophobicContact CD1-CD2 3.96Å; I880-L897 HydrophobicContact CD1-CD2 3.83Å; V883-L897 HydrophobicContact CG1-CD1 4.46Å; V883-L897 HydrophobicContact CG2-CD1 3.85Å; L895-L897 HydrophobicContact CD1-CD1 4.27Å; L895-L897 HydrophobicContact CD1-CG 4.1Å; L895-L897 HydrophobicContact CD2-CD1 3.85Å; L895-L897 HydrophobicContact CG-CD1 3.94Å; L895-L897 HydrophobicContact CG-CG 4.09Å; L897-N900 PolarHBondContact O-ND2 3.09Å; L897-I902 HydrophobicContact CB-CD1 4.14Å; L897-I902 HydrophobicContact CD1-CD1 4.21Å; L897-H920 WeakPolarHBondContact CA-O 3.32Å; L897-H920 WeakPolarHBondContact CB-O 3.35Å; L897-H920 PolarHBondContact N-O 3.28Å; L897-L921 HydrophobicContact CB-CD2 3.86Å; L897-L921 HydrophobicContact CD1-CD2 3.97Å; L897-N924 PolarHBondContact O-ND2 3.3Å
898D94.6Very high89.1Confident33 Ų3362.6 Ų62.618%0.17628%0.281CS..  trans-59.1151.8-179.7-65.4-23.7000112.6Q876 D877 V896 N900 H920 L921 A922Q876-D898 WeakPolarHBondContact CA-O 3.02Å; Q876-D898 HydrophobicContact CB-CB 4.2Å; Q876-D898 WeakPolarHBondContact CB-O 3.16Å; D877-D898 PolarHBondContact N-O 3.21Å; D877-D898 VanDerWaalsContact N-O 3.09Å; V896-D898 HydrophobicContact CG1-CB 4.46Å; D898-N900 PolarHBondContact O-N 2.95Å; D898-N900 PolarHBondContact O-ND2 3.42Å; D898-N900 VanDerWaalsContact O-ND2 3.09Å; D898-H920 VanDerWaalsContact OD1-C 3.23Å; D898-H920 VanDerWaalsContact OD1-CB 3.23Å; D898-H920 WeakPolarHBondContact OD1-CB 3.46Å; D898-H920 IonicContact OD2-ND1 2.71Å; D898-L921 PolarHBondContact OD1-N 3.38Å; D898-A922 CarbonylContact C-O 3.56Å; D898-A922 VanDerWaalsContact CA-O 3.22Å; D898-A922 WeakPolarHBondContact CA-O 3.47Å; D898-A922 WeakPolarHBondContact OD1-CA 3.47Å; D898-A922 WeakPolarHBondContact OD1-CB 3.34Å; D898-A922 PolarHBondContact OD1-N 3.26Å
899R94.3Very high88.9Confident140 Ų14058.8 Ų58.853%0.52827%0.268SS..SBendtrans55.350.7175.8-55.7-177.2-177-80.18112.9D877 A922 D923D877-R899 WeakPolarHBondContact CA-O 3.43Å; D877-R899 WeakPolarHBondContact OD1-CD 3.22Å; R899-A922 PolarHBondContact N-O 3.08Å; R899-D923 VanDerWaalsContact CA-O 3.29Å; R899-D923 WeakPolarHBondContact CA-O 3.46Å; R899-D923 HydrophobicContact CG-CB 3.93Å; R899-D923 IonicContact CZ-OD2 3.29Å; R899-D923 PolarHBondContact N-O 3.03Å; R899-D923 IonicContact NH1-OD2 3.79Å; R899-D923 PolarHBondContact NH1-OD2 3.07Å
900N95.5Very high88.8Confident8 Ų858.9 Ų58.94%0.04327%0.268CS..SBendtrans-118.9-167.3175.7-85.3-79000110.8L875 N878 I880 L897 D898 I902 D923 N924L875-N900 PolarHBondContact O-ND2 2.76Å; N878-N900 WeakPolarHBondContact CA-OD1 3.18Å; N878-N900 WeakPolarHBondContact CB-OD1 3.47Å; N878-N900 PolarHBondContact N-OD1 2.85Å; N878-N900 PolarHBondContact O-OD1 2.93Å; I880-N900 HydrophobicContact CB-CB 4.27Å; I880-N900 VanDerWaalsContact CB-OD1 3.29Å; I880-N900 WeakPolarHBondContact CB-OD1 3.32Å; I880-N900 WeakPolarHBondContact CG1-OD1 3.36Å; I880-N900 PolarHBondContact N-OD1 3.01Å; L897-N900 PolarHBondContact O-ND2 3.09Å; D898-N900 PolarHBondContact O-N 2.95Å; D898-N900 PolarHBondContact O-ND2 3.42Å; D898-N900 VanDerWaalsContact O-ND2 3.09Å; N900-I902 HydrophobicContact CB-CD1 4.35Å; N900-I902 HydrophobicContact CB-CG1 4.25Å; N900-D923 PolarHBondContact N-O 3.47Å; N900-N924 WeakPolarHBondContact CA-OD1 3.45Å; N900-N924 WeakPolarHBondContact CB-OD1 3.3Å; N900-N924 PolarHBondContact O-OD1 2.99Å
901R93.8Very high88.2Confident89 Ų8957.4 Ų57.434%0.33627%0.267SS..  trans-119.230.4-178.2-60.3-175.5-178.2157.18.5112.2E879 I880 K903 N924E879-R901 IonicContact OE1-CZ 3.65Å; E879-R901 VanDerWaalsContact OE1-CZ 3.26Å; E879-R901 IonicContact OE1-NH1 3.84Å; E879-R901 PolarHBondContact OE1-NH1 2.91Å; E879-R901 IonicContact OE1-NH2 3.4Å; E879-R901 PolarHBondContact OE1-NH2 2.91Å; E879-R901 IonicContact OE2-NH1 2.59Å; I880-R901 CarbonylContact O-C 3.05Å; I880-R901 VanDerWaalsContact O-CA 3.27Å; I880-R901 WeakPolarHBondContact O-CA 3.45Å; I880-R901 PolarHBondContact O-N 3.28Å; R901-K903 PolarHBondContact O-N 3.43Å; R901-N924 PolarHBondContact N-OD1 3.09Å
902I92.6Very high87.2Confident0 Ų054 Ų540%026%0.258CS..  trans-69.8126.7-175.6-57.6167.2000109.6I880 R881 V883 L897 N900 L905 L921 N924 R925 I926I880-I902 HydrophobicContact CG2-CG1 4.26Å; I880-I902 PolarHBondContact O-N 3.06Å; R881-I902 WeakPolarHBondContact O-CA 3.34Å; V883-I902 HydrophobicContact CG2-CD1 3.85Å; L897-I902 HydrophobicContact CB-CD1 4.14Å; L897-I902 HydrophobicContact CD1-CD1 4.21Å; N900-I902 HydrophobicContact CB-CD1 4.35Å; N900-I902 HydrophobicContact CB-CG1 4.25Å; I902-L905 HydrophobicContact CG2-CD2 4.14Å; I902-L921 HydrophobicContact CD1-CD2 3.93Å; I902-N924 HydrophobicContact CB-CB 4.43Å; I902-N924 WeakPolarHBondContact CB-OD1 3.32Å; I902-N924 WeakPolarHBondContact CG1-OD1 3.34Å; I902-N924 PolarHBondContact N-OD1 3.37Å; I902-R925 CarbonylContact O-C 3.51Å; I902-R925 VanDerWaalsContact O-CA 3.22Å; I902-R925 WeakPolarHBondContact O-CA 3.32Å; I902-R925 WeakPolarHBondContact O-CB 3.25Å; I902-R925 PolarHBondContact O-N 3.06Å; I902-I926 HydrophobicContact CB-CG1 4.47Å; I902-I926 HydrophobicContact CG2-CD1 4.43Å; I902-I926 HydrophobicContact CG2-CG1 4.17Å; I902-I926 PolarHBondContact O-N 3.12Å
903K88.3Confident86.5Confident115 Ų11554.2 Ų54.250%0.526%0.259SS..  trans-108.2-42.8-179.1-68.4-177.4-179.9-179.30113.7R901 R925R901-K903 PolarHBondContact O-N 3.43Å; K903-R925 HydrophobicContact CG-CB 4.01Å
904L83Confident85.7Confident105 Ų10553.7 Ų53.755%0.5526%0.261SS..  trans-137.1147.9-179.6-69.5105.3000109.3
905L85.3Confident85.2Confident13 Ų1352.3 Ų52.37%0.06826%0.257CS..  trans-100129172.2-60.9168.5000107.8V883 I902 F910 F932V883-L905 HydrophobicContact CG2-CD2 4.01Å; I902-L905 HydrophobicContact CG2-CD2 4.14Å; L905-F910 HydrophobicContact CD1-CE2 4.11Å; L905-F910 HydrophobicContact CD2-CE2 3.94Å; L905-F910 HydrophobicContact CD2-CZ 4.26Å; L905-F910 HydrophobicContact CG-CE2 4.44Å; L905-F932 HydrophobicContact CD1-CE1 4.14Å; L905-F932 HydrophobicContact CD1-CE2 3.71Å; L905-F932 HydrophobicContact CD1-CZ 3.33Å
906S81.1Confident85Confident50 Ų5052.3 Ų52.335%0.3526%0.257SS..  trans-85.1161.4179.164.20000110.9D908 S909S906-D908 PolarHBondContact O-N 2.96Å; S906-S909 PolarHBondContact N-OG 3.34Å; S906-S909 WeakPolarHBondContact O-CB 3.35Å; S906-S909 PolarHBondContact O-N 3.09Å; S906-S909 VanDerWaalsContact O-N 3.1Å; S906-S909 PolarHBondContact O-OG 3.01Å; S906-S909 PolarHBondContact OG-N 3.22Å; S906-S909 PolarHBondContact OG-OG 3.39Å
907K76.8Confident84.9Confident142 Ų14255.1 Ų55.162%0.61727%0.27SS*.G310 helixtrans-52.2-37.8172.3-73.5-178.8-179.7-177.30111.8M911 H931K907-M911 WeakPolarHBondContact O-CG 3.21Å; K907-H931 WeakPolarHBondContact CG-CE1 3.18Å
908D75.7Confident84.9Confident117 Ų11757.5 Ų57.563%0.62628%0.281SS*.G310 helixtrans-82-10.5-175.6-54-45.1000114.1S906 F910S906-D908 PolarHBondContact O-N 2.96Å; D908-F910 VanDerWaalsContact C-N 3.3Å; D908-F910 PolarHBondContact O-N 3.05Å
909S77.2Confident85Confident4 Ų456 Ų563%0.02827%0.272CS..G310 helixtrans-57.6-39.6-174.6-65.50000112.9V883 S906V883-S909 PolarHBondContact O-OG 3.07Å; S906-S909 PolarHBondContact N-OG 3.34Å; S906-S909 WeakPolarHBondContact O-CB 3.35Å; S906-S909 PolarHBondContact O-N 3.09Å; S906-S909 VanDerWaalsContact O-N 3.1Å; S906-S909 PolarHBondContact O-OG 3.01Å; S906-S909 PolarHBondContact OG-N 3.22Å; S906-S909 PolarHBondContact OG-OG 3.39Å
910F81.8Confident85Confident2 Ų251 Ų511%0.00926%0.255CS..SBendtrans-127.314.5-172.6-58.9-62.4000115V883 L895 L905 D908 S912 H913 L919 F932 T934 L935V883-F910 HydrophobicContact CG1-CE1 4.29Å; V883-F910 HydrophobicContact CG1-CZ 4.41Å; L895-F910 HydrophobicContact CD2-CE1 4.24Å; L905-F910 HydrophobicContact CD1-CE2 4.11Å; L905-F910 HydrophobicContact CD2-CE2 3.94Å; L905-F910 HydrophobicContact CD2-CZ 4.26Å; L905-F910 HydrophobicContact CG-CE2 4.44Å; D908-F910 VanDerWaalsContact C-N 3.3Å; D908-F910 PolarHBondContact O-N 3.05Å; F910-S912 PolarHBondContact O-N 3.46Å; F910-H913 PolarHBondContact O-N 2.76Å; F910-L919 HydrophobicContact CE1-CD2 4.4Å; F910-L919 HydrophobicContact CZ-CD2 4.09Å; F910-F932 HydrophobicContact CE2-CE1 4.21Å; F910-T934 PolarHBondContact O-OG1 3.38Å; F910-L935 HydrophobicContact CB-CD2 4Å; F910-L935 HydrophobicContact CB-CG 4.36Å; F910-L935 HydrophobicContact CD1-CD2 4.4Å; F910-L935 HydrophobicContact CG-CD1 4.4Å; F910-L935 HydrophobicContact CG-CD2 4.33Å
911M73.6Confident85Confident112 Ų11250.6 Ų50.655%0.55225%0.253SS*.THydrogen-bonded Turntrans-56.3-25.9-173.4-74.8-68.3-72.300115.3K907K907-M911 WeakPolarHBondContact O-CG 3.21Å
912S69Low85Confident40 Ų4047.1 Ų47.128%0.2824%0.243SC..THydrogen-bonded Turntrans-111.75.2-173.7-58.80000114.8F910F910-S912 PolarHBondContact O-N 3.46Å
913H77.8Confident85.1Confident4 Ų450.2 Ų50.22%0.01926%0.26CS..  trans-105.750.3-163.8-63.996.6000114.8L886 F910 S915 L916 L935L886-H913 WeakPolarHBondContact CB-CE1 3.3Å; L886-H913 PolarHBondContact O-CE1 3.2Å; L886-H913 PolarHBondContact O-NE2 2.99Å; L886-H913 VanDerWaalsContact O-NE2 3.09Å; F910-H913 PolarHBondContact O-N 2.76Å; H913-S915 PolarHBondContact O-N 3.06Å; H913-S915 VanDerWaalsContact O-N 3.12Å; H913-L916 HydrophobicContact CB-CB 4.49Å; H913-L916 PolarHBondContact O-N 3.4Å; H913-L935 HydrophobicContact CB-CD2 3.92Å; H913-L935 VanDerWaalsContact O-CD2 3.3Å; H913-L935 WeakPolarHBondContact O-CD2 3.18Å
914N77.8Confident85.4Confident88 Ų8845 Ų4547%0.47124%0.238SC..THydrogen-bonded Turntrans-72.7-3-178.8-58.45.8000113.9T934 K937N914-T934 PolarHBondContact OD1-O 3.06Å; N914-K937 WeakPolarHBondContact O-CD 3.28Å; N914-K937 WeakPolarHBondContact O-CG 3.4Å
915S85.6Confident85.9Confident26 Ų2645.8 Ų45.818%0.18223%0.233CC..THydrogen-bonded Turntrans-103.8-4-179.152.60000113.8Y890 L892 H913 Q917Y890-S915 WeakPolarHBondContact O-CB 3.47Å; Y890-S915 PolarHBondContact O-OG 3.38Å; L892-S915 CarbonylContact O-C 3.24Å; L892-S915 VanDerWaalsContact O-C 3.27Å; L892-S915 PolarHBondContact O-OG 3.29Å; L892-S915 VanDerWaalsContact O-OG 3.12Å; H913-S915 PolarHBondContact O-N 3.06Å; H913-S915 VanDerWaalsContact O-N 3.12Å; S915-Q917 PolarHBondContact O-N 3.29Å
916L91.1Very high86.2Confident1 Ų145.2 Ų45.21%0.00523%0.23CC..  trans-68.5128.3-178.3-159.973.2000110.3L892 L895 H913 L919 L935 K937 L938L892-L916 HydrophobicContact CD2-CD1 4.14Å; L892-L916 HydrophobicContact CG-CD1 4.01Å; L892-L916 WeakPolarHBondContact O-CA 3.44Å; L892-L916 PolarHBondContact O-N 2.97Å; L895-L916 HydrophobicContact CB-CD1 3.85Å; L895-L916 HydrophobicContact CB-CD2 4.5Å; H913-L916 HydrophobicContact CB-CB 4.49Å; H913-L916 PolarHBondContact O-N 3.4Å; L916-L919 HydrophobicContact CD2-CB 4.04Å; L916-L919 HydrophobicContact CD2-CD1 4.25Å; L916-L919 HydrophobicContact CD2-CD2 4.34Å; L916-L919 HydrophobicContact CD2-CG 4.44Å; L916-L935 HydrophobicContact CB-CD2 4.21Å; L916-L935 HydrophobicContact CD2-CD1 4.3Å; L916-L935 HydrophobicContact CD2-CD2 4.18Å; L916-K937 CarbonylContact O-C 3.19Å; L916-L938 HydrophobicContact CD2-CD1 4.22Å; L916-L938 HydrophobicContact CG-CD1 4.25Å; L916-L938 WeakPolarHBondContact O-CA 3.37Å; L916-L938 PolarHBondContact O-N 3.15Å
917Q93.5Very high86.6Confident69 Ų6951 Ų5132%0.32224%0.244SC..  trans-110.5-36.3-177.6-65.1-178.3-24.900111.3K893 S915 H939 K940K893-Q917 PolarHBondContact O-N 3.25Å; S915-Q917 PolarHBondContact O-N 3.29Å; Q917-H939 PolarHBondContact O-N 2.52Å; Q917-K940 PolarHBondContact O-N 3.09Å; Q917-K940 VanDerWaalsContact O-N 3.08Å
918E95.4Very high87.2Confident50 Ų5048.8 Ų48.823%0.23424%0.236CC..EExtended strand (participates in β ladder)trans-131.3126-177.1-57.5-169.1167.300110.4K893 E894 L895 K940K893-E918 PolarHBondContact O-N 3.06Å; E894-E918 HydrophobicContact CG-CB 4.38Å; L895-E918 PolarHBondContact N-O 2.94Å; E918-K940 HydrophobicContact CB-CB 4.46Å; E918-K940 HydrophobicContact CG-CB 4.16Å; E918-K940 HydrophobicContact CG-CD 4.09Å; E918-K940 HydrophobicContact CG-CG 4.2Å; E918-K940 WeakPolarHBondContact OE1-CD 3.44Å; E918-K940 WeakPolarHBondContact OE1-CE 3.13Å; E918-K940 IonicContact OE1-NZ 2.73Å; E918-K940 PolarHBondContact OE1-NZ 3.17Å
919L94.9Very high87.6Confident0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-129.8117.6179.9178.757.7000110.6L895 F910 L916 L921 F932 L935 L938 K940 L941 F942L895-L919 HydrophobicContact CB-CD1 4.09Å; L895-L919 HydrophobicContact CD2-CD1 3.96Å; L895-L919 HydrophobicContact CG-CD1 4.06Å; F910-L919 HydrophobicContact CE1-CD2 4.4Å; F910-L919 HydrophobicContact CZ-CD2 4.09Å; L916-L919 HydrophobicContact CD2-CB 4.04Å; L916-L919 HydrophobicContact CD2-CD1 4.25Å; L916-L919 HydrophobicContact CD2-CD2 4.34Å; L916-L919 HydrophobicContact CD2-CG 4.44Å; L919-L921 HydrophobicContact CD1-CD1 4.31Å; L919-L921 HydrophobicContact CD1-CG 4.12Å; L919-L921 HydrophobicContact CD2-CD1 3.88Å; L919-L921 HydrophobicContact CG-CD1 3.97Å; L919-L921 HydrophobicContact CG-CG 4.1Å; L919-F932 HydrophobicContact CD2-CE1 3.95Å; L919-L935 HydrophobicContact CD2-CD1 4.06Å; L919-L938 HydrophobicContact CB-CD1 3.74Å; L919-L938 HydrophobicContact CB-CD2 4.47Å; L919-K940 PolarHBondContact N-O 3.44Å; L919-L941 HydrophobicContact CB-CD1 4.12Å; L919-L941 HydrophobicContact CD2-CD1 3.95Å; L919-L941 HydrophobicContact CG-CD1 4.02Å; L919-L941 WeakPolarHBondContact O-CA 3.41Å; L919-F942 PolarHBondContact O-N 3.24Å
920H96.2Very high87.8Confident35 Ų3544.7 Ų44.716%0.16222%0.216CC..EExtended strand (participates in β ladder)trans-108.5121.1177.7-58.7-121.9000110.7L895 V896 L897 D898 F942L895-H920 PolarHBondContact O-N 3.23Å; V896-H920 HydrophobicContact CB-CB 4.38Å; V896-H920 HydrophobicContact CG1-CB 4.07Å; V896-H920 HydrophobicContact CG2-CB 4.38Å; L897-H920 WeakPolarHBondContact CA-O 3.32Å; L897-H920 WeakPolarHBondContact CB-O 3.35Å; L897-H920 PolarHBondContact N-O 3.28Å; D898-H920 VanDerWaalsContact OD1-C 3.23Å; D898-H920 VanDerWaalsContact OD1-CB 3.23Å; D898-H920 WeakPolarHBondContact OD1-CB 3.46Å; D898-H920 IonicContact OD2-ND1 2.71Å; H920-F942 HydrophobicContact CB-CD2 4.44Å; H920-F942 AromaticContact CD2-CD2 3.79Å; H920-F942 AromaticContact CE1-CD2 3.29Å; H920-F942 WeakPolarHBondContact CE1-CD2 3.4Å; H920-F942 AromaticContact CE1-CE2 3.27Å; H920-F942 WeakPolarHBondContact CE1-CE2 3.32Å; H920-F942 AromaticContact CG-CD2 3.62Å; H920-F942 AromaticContact ND1-CD2 3.32Å; H920-F942 VanDerWaalsContact ND1-CD2 3.32Å; H920-F942 WeakPolarHBondContact ND1-CD2 3.49Å; H920-F942 AromaticContact ND1-CE2 3.82Å; H920-F942 AromaticContact NE2-CD2 3.57Å; H920-F942 AromaticContact NE2-CE2 3.46Å; H920-F942 WeakPolarHBondContact NE2-CE2 3.22Å
921L94.3Very high87.8Confident0 Ų048 Ų480%023%0.232CC..  trans-133.523.5-178.6-72.6169.2000111.2L897 D898 I902 L919 N924 I926 F942 L943 N946L897-L921 HydrophobicContact CB-CD2 3.86Å; L897-L921 HydrophobicContact CD1-CD2 3.97Å; D898-L921 PolarHBondContact OD1-N 3.38Å; I902-L921 HydrophobicContact CD1-CD2 3.93Å; L919-L921 HydrophobicContact CD1-CD1 4.31Å; L919-L921 HydrophobicContact CD1-CG 4.12Å; L919-L921 HydrophobicContact CD2-CD1 3.88Å; L919-L921 HydrophobicContact CG-CD1 3.97Å; L919-L921 HydrophobicContact CG-CG 4.1Å; L921-N924 PolarHBondContact O-ND2 3.31Å; L921-I926 HydrophobicContact CB-CD1 4.08Å; L921-I926 HydrophobicContact CD1-CD1 4.05Å; L921-I926 HydrophobicContact CD2-CD1 4.26Å; L921-I926 HydrophobicContact CG-CD1 4.38Å; L921-F942 CarbonylContact C-O 3.33Å; L921-F942 WeakPolarHBondContact CA-O 3.27Å; L921-F942 PolarHBondContact N-O 3.38Å; L921-L943 HydrophobicContact CB-CD2 3.91Å; L921-L943 HydrophobicContact CD1-CD2 4.06Å; L921-N946 PolarHBondContact O-ND2 3.21Å
922A93.3Very high88.2Confident17 Ų1743 Ų4314%0.1421%0.207CC..  trans-65.9151.5-179.600000111.8D898 R899 N924 F942 N944D898-A922 CarbonylContact C-O 3.56Å; D898-A922 VanDerWaalsContact CA-O 3.22Å; D898-A922 WeakPolarHBondContact CA-O 3.47Å; D898-A922 WeakPolarHBondContact OD1-CA 3.47Å; D898-A922 WeakPolarHBondContact OD1-CB 3.34Å; D898-A922 PolarHBondContact OD1-N 3.26Å; R899-A922 PolarHBondContact N-O 3.08Å; A922-N924 PolarHBondContact O-N 3.46Å; A922-N924 PolarHBondContact O-ND2 3.02Å; A922-F942 PolarHBondContact N-O 3.32Å; A922-N944 CarbonylContact C-O 3.57Å; A922-N944 VanDerWaalsContact CA-O 3.24Å; A922-N944 WeakPolarHBondContact CA-O 3.42Å; A922-N944 HydrophobicContact CB-CB 4Å
923D94.6Very high88.6Confident65 Ų6544.6 Ų44.635%0.34822%0.218SC..SBendtrans54.652.7178-160.15.9000112.5R899 N900 N944 M945R899-D923 VanDerWaalsContact CA-O 3.29Å; R899-D923 WeakPolarHBondContact CA-O 3.46Å; R899-D923 HydrophobicContact CG-CB 3.93Å; R899-D923 IonicContact CZ-OD2 3.29Å; R899-D923 PolarHBondContact N-O 3.03Å; R899-D923 IonicContact NH1-OD2 3.79Å; R899-D923 PolarHBondContact NH1-OD2 3.07Å; N900-D923 PolarHBondContact N-O 3.47Å; D923-N944 PolarHBondContact N-O 3.44Å; D923-M945 HydrophobicContact CB-CB 4.38Å
924N95.3Very high88.7Confident5 Ų545.9 Ų45.93%0.02723%0.226CC..SBendtrans-120.3-162.2175.2-87.4-78.8000110.3L897 N900 R901 I902 L921 A922 I926 N946L897-N924 PolarHBondContact O-ND2 3.3Å; N900-N924 WeakPolarHBondContact CA-OD1 3.45Å; N900-N924 WeakPolarHBondContact CB-OD1 3.3Å; N900-N924 PolarHBondContact O-OD1 2.99Å; R901-N924 PolarHBondContact N-OD1 3.09Å; I902-N924 HydrophobicContact CB-CB 4.43Å; I902-N924 WeakPolarHBondContact CB-OD1 3.32Å; I902-N924 WeakPolarHBondContact CG1-OD1 3.34Å; I902-N924 PolarHBondContact N-OD1 3.37Å; L921-N924 PolarHBondContact O-ND2 3.31Å; A922-N924 PolarHBondContact O-N 3.46Å; A922-N924 PolarHBondContact O-ND2 3.02Å; N924-I926 HydrophobicContact CB-CD1 4.39Å; N924-I926 HydrophobicContact CB-CG1 4.25Å; N924-N946 WeakPolarHBondContact CA-OD1 3.37Å; N924-N946 WeakPolarHBondContact CB-OD1 3.35Å; N924-N946 PolarHBondContact O-OD1 3.11Å
925R93.6Very high89.1Confident122 Ų12241.8 Ų41.846%0.4620%0.204SC..  trans-126.228.6-177.8-57.6-179.2-176.1-175.8-0112.2I902 K903 N946I902-R925 CarbonylContact O-C 3.51Å; I902-R925 VanDerWaalsContact O-CA 3.22Å; I902-R925 WeakPolarHBondContact O-CA 3.32Å; I902-R925 WeakPolarHBondContact O-CB 3.25Å; I902-R925 PolarHBondContact O-N 3.06Å; K903-R925 HydrophobicContact CG-CB 4.01Å; R925-N946 PolarHBondContact N-OD1 2.9Å
926I92.4Very high89.1Confident0 Ų043.5 Ų43.50%021%0.214CC..  trans-70.6133.6-175.6-58171.3000109.5I902 L921 N924 E928 L929 L943 N946 K947 L948I902-I926 HydrophobicContact CB-CG1 4.47Å; I902-I926 HydrophobicContact CG2-CD1 4.43Å; I902-I926 HydrophobicContact CG2-CG1 4.17Å; I902-I926 PolarHBondContact O-N 3.12Å; L921-I926 HydrophobicContact CB-CD1 4.08Å; L921-I926 HydrophobicContact CD1-CD1 4.05Å; L921-I926 HydrophobicContact CD2-CD1 4.26Å; L921-I926 HydrophobicContact CG-CD1 4.38Å; N924-I926 HydrophobicContact CB-CD1 4.39Å; N924-I926 HydrophobicContact CB-CG1 4.25Å; I926-E928 WeakPolarHBondContact CG2-O 3.14Å; I926-L929 HydrophobicContact CG2-CD2 4.05Å; I926-L943 HydrophobicContact CD1-CD2 4.3Å; I926-N946 HydrophobicContact CB-CB 4.44Å; I926-N946 WeakPolarHBondContact CB-OD1 3.46Å; I926-N946 PolarHBondContact N-OD1 3.33Å; I926-K947 CarbonylContact O-C 3.11Å; I926-K947 VanDerWaalsContact O-C 3.24Å; I926-K947 VanDerWaalsContact O-CA 3.31Å; I926-K947 WeakPolarHBondContact O-CA 3.43Å; I926-K947 PolarHBondContact O-N 3.39Å; I926-L948 HydrophobicContact CG2-CD2 4.31Å; I926-L948 PolarHBondContact O-N 3.24Å
927R89.8Confident88.9Confident171 Ų17149.1 Ų49.165%0.64524%0.238SC*.  trans-113.4-26.1178.6-67.1179.2-178.8161.2-4.9113.8K947 L948R927-K947 HydrophobicContact CG-CB 3.89Å; R927-L948 WeakPolarHBondContact O-CD2 3.43Å
928E87.8Confident88.9Confident97 Ų9745.9 Ų45.945%0.45322%0.223SC..  trans-134.6141.1-174.2-66.6171.5-153.800109.8I926 E953I926-E928 WeakPolarHBondContact CG2-O 3.14Å; E928-E953 VanDerWaalsContact CA-OE2 3.24Å; E928-E953 WeakPolarHBondContact CA-OE2 3.33Å
929L85.1Confident88.8Confident3 Ų346.9 Ų46.92%0.01623%0.228CC..  trans-107.361.5-178.3-62.2179.5000111.3I926 F932 L943 L948 E953 L954 L957I926-L929 HydrophobicContact CG2-CD2 4.05Å; L929-F932 HydrophobicContact CB-CD2 4.17Å; L929-F932 HydrophobicContact CB-CE2 3.81Å; L929-F932 HydrophobicContact CD2-CE2 3.77Å; L929-F932 HydrophobicContact CD2-CZ 4.2Å; L929-F932 HydrophobicContact CG-CE2 4.35Å; L929-L943 HydrophobicContact CD1-CD1 3.78Å; L929-L943 HydrophobicContact CD2-CD1 3.79Å; L929-L943 HydrophobicContact CD2-CD2 4.02Å; L929-L943 HydrophobicContact CG-CD1 4.48Å; L929-L948 HydrophobicContact CD1-CD1 3.92Å; L929-L948 HydrophobicContact CD1-CD2 4.33Å; L929-L948 HydrophobicContact CD2-CD1 4.34Å; L929-L948 HydrophobicContact CD2-CD2 4.05Å; L929-L948 HydrophobicContact CG-CD1 4.25Å; L929-L948 HydrophobicContact CG-CD2 3.82Å; L929-E953 PolarHBondContact N-OE2 3.25Å; L929-L954 HydrophobicContact CD1-CD2 3.89Å; L929-L957 HydrophobicContact CB-CD2 4.46Å; L929-L957 HydrophobicContact CD1-CD1 3.94Å; L929-L957 HydrophobicContact CD1-CD2 4.14Å; L929-L957 HydrophobicContact CD1-CG 4.1Å
930S81Confident88.7Confident31 Ų3150 Ų5022%0.21724%0.241CC..  trans-92.9150.1178.5-60.50000111.5
931H81.4Confident88.6Confident73 Ų7348.3 Ų48.334%0.33823%0.233SC..  trans7429.9170.1-45.5-54.9000117.2K907K907-H931 WeakPolarHBondContact CG-CE1 3.18Å
932F82.9Confident88.7Confident5 Ų549.8 Ų49.82%0.02224%0.24CC..  trans-86.1-5.5171.9-72.5-75.8000114.7L905 F910 L919 L929 T934 L935 L957 L960L905-F932 HydrophobicContact CD1-CE1 4.14Å; L905-F932 HydrophobicContact CD1-CE2 3.71Å; L905-F932 HydrophobicContact CD1-CZ 3.33Å; F910-F932 HydrophobicContact CE2-CE1 4.21Å; L919-F932 HydrophobicContact CD2-CE1 3.95Å; L929-F932 HydrophobicContact CB-CD2 4.17Å; L929-F932 HydrophobicContact CB-CE2 3.81Å; L929-F932 HydrophobicContact CD2-CE2 3.77Å; L929-F932 HydrophobicContact CD2-CZ 4.2Å; L929-F932 HydrophobicContact CG-CE2 4.35Å; F932-T934 PolarHBondContact O-N 2.97Å; F932-L935 HydrophobicContact CD1-CD1 3.76Å; F932-L935 HydrophobicContact CE1-CD1 4.35Å; F932-L935 PolarHBondContact O-N 3.12Å; F932-L957 HydrophobicContact CD2-CD2 4.1Å; F932-L957 HydrophobicContact CG-CD2 4.41Å; F932-L960 HydrophobicContact CB-CD1 4.4Å; F932-L960 HydrophobicContact CB-CD2 4.28Å; F932-L960 WeakPolarHBondContact O-CD2 3.45Å
933S77.4Confident88.7Confident74 Ų7449 Ų4952%0.51723%0.233SC..THydrogen-bonded Turntrans-59.7-17.9-171.456.50000115.4
934T80.1Confident88.6Confident32 Ų3247.3 Ų47.320%0.19623%0.225CC..THydrogen-bonded Turntrans-83.3-16.9177.857.10000113.5F910 N914 F932 T936F910-T934 PolarHBondContact O-OG1 3.38Å; N914-T934 PolarHBondContact OD1-O 3.06Å; F932-T934 PolarHBondContact O-N 2.97Å; T934-T936 VanDerWaalsContact C-N 3.31Å; T934-T936 PolarHBondContact O-N 3.23Å
935L85.4Confident88.4Confident1 Ų152.3 Ų52.31%0.00525%0.249CC..  trans-87.356-173.3-58.1-174.3000113.1F910 H913 L916 L919 F932 K937 L938 L960F910-L935 HydrophobicContact CB-CD2 4Å; F910-L935 HydrophobicContact CB-CG 4.36Å; F910-L935 HydrophobicContact CD1-CD2 4.4Å; F910-L935 HydrophobicContact CG-CD1 4.4Å; F910-L935 HydrophobicContact CG-CD2 4.33Å; H913-L935 HydrophobicContact CB-CD2 3.92Å; H913-L935 VanDerWaalsContact O-CD2 3.3Å; H913-L935 WeakPolarHBondContact O-CD2 3.18Å; L916-L935 HydrophobicContact CB-CD2 4.21Å; L916-L935 HydrophobicContact CD2-CD1 4.3Å; L916-L935 HydrophobicContact CD2-CD2 4.18Å; L919-L935 HydrophobicContact CD2-CD1 4.06Å; F932-L935 HydrophobicContact CD1-CD1 3.76Å; F932-L935 HydrophobicContact CE1-CD1 4.35Å; F932-L935 PolarHBondContact O-N 3.12Å; L935-K937 PolarHBondContact O-N 3.05Å; L935-K937 VanDerWaalsContact O-N 3.08Å; L935-L938 HydrophobicContact CB-CB 4.13Å; L935-L938 HydrophobicContact CD1-CD2 4.12Å; L935-L938 WeakPolarHBondContact O-CB 2.99Å; L935-L938 PolarHBondContact O-N 3.33Å; L935-L960 HydrophobicContact CB-CD2 3.98Å; L935-L960 WeakPolarHBondContact O-CD2 3.36Å
936T84.7Confident88.5Confident63 Ų6346.5 Ų46.539%0.38723%0.227SC..THydrogen-bonded Turntrans-65.7-14.9-172.856.50000115.5T934 C962T934-T936 VanDerWaalsContact C-N 3.31Å; T934-T936 PolarHBondContact O-N 3.23Å; T936-C962 PolarHBondContact O-SG 2.71Å
937K88.8Confident88.5Confident118 Ų11852 Ų5251%0.51325%0.251SS..THydrogen-bonded Turntrans-1079.6179.9-64.7-168.1-177.9-179.20114.2N914 L916 L935 H939N914-K937 WeakPolarHBondContact O-CD 3.28Å; N914-K937 WeakPolarHBondContact O-CG 3.4Å; L916-K937 CarbonylContact O-C 3.19Å; L935-K937 PolarHBondContact O-N 3.05Å; L935-K937 VanDerWaalsContact O-N 3.08Å; K937-H939 PolarHBondContact O-N 3.27Å
938L91.8Very high88.5Confident1 Ų143.9 Ų43.91%0.00522%0.22CC..  trans-72.1124.2-178-166.573.8000110.4L916 L919 L935 L941 L960 C962 L963L916-L938 HydrophobicContact CD2-CD1 4.22Å; L916-L938 HydrophobicContact CG-CD1 4.25Å; L916-L938 WeakPolarHBondContact O-CA 3.37Å; L916-L938 PolarHBondContact O-N 3.15Å; L919-L938 HydrophobicContact CB-CD1 3.74Å; L919-L938 HydrophobicContact CB-CD2 4.47Å; L935-L938 HydrophobicContact CB-CB 4.13Å; L935-L938 HydrophobicContact CD1-CD2 4.12Å; L935-L938 WeakPolarHBondContact O-CB 2.99Å; L935-L938 PolarHBondContact O-N 3.33Å; L938-L941 HydrophobicContact CD2-CB 4.11Å; L938-L941 HydrophobicContact CD2-CD1 4.33Å; L938-L941 HydrophobicContact CD2-CD2 4.41Å; L938-L960 HydrophobicContact CD2-CD1 4.21Å; L938-C962 CarbonylContact O-C 3.19Å; L938-C962 VanDerWaalsContact O-O 3.08Å; L938-L963 HydrophobicContact CD2-CD1 4.44Å; L938-L963 WeakPolarHBondContact O-CA 3.36Å; L938-L963 PolarHBondContact O-N 2.69Å
939H93.1Very high88.5Confident72 Ų7246 Ų4633%0.33323%0.23SC..  trans-102.9-37.4177.6-64.6-39.2000112.2Q917 K937 C962 T964 E965Q917-H939 PolarHBondContact O-N 2.52Å; K937-H939 PolarHBondContact O-N 3.27Å; H939-C962 WeakPolarHBondContact CA-O 3.48Å; H939-C962 PolarHBondContact ND1-O 2.97Å; H939-T964 PolarHBondContact O-N 3.24Å; H939-T964 PolarHBondContact O-OG1 3.23Å; H939-T964 VanDerWaalsContact O-OG1 3.06Å; H939-E965 PolarHBondContact O-N 3.26Å
940K94.3Very high88.6Confident64 Ų6450.3 Ų50.328%0.27825%0.253SS..EExtended strand (participates in β ladder)trans-125.2128.5-176.4-52.3-171.9-178.7150.60111.9Q917 E918 L919 F942 E965Q917-K940 PolarHBondContact O-N 3.09Å; Q917-K940 VanDerWaalsContact O-N 3.08Å; E918-K940 HydrophobicContact CB-CB 4.46Å; E918-K940 HydrophobicContact CG-CB 4.16Å; E918-K940 HydrophobicContact CG-CD 4.09Å; E918-K940 HydrophobicContact CG-CG 4.2Å; E918-K940 WeakPolarHBondContact OE1-CD 3.44Å; E918-K940 WeakPolarHBondContact OE1-CE 3.13Å; E918-K940 IonicContact OE1-NZ 2.73Å; E918-K940 PolarHBondContact OE1-NZ 3.17Å; L919-K940 PolarHBondContact N-O 3.44Å; K940-F942 HydrophobicContact CB-CE2 3.84Å; K940-F942 HydrophobicContact CB-CZ 4.18Å; K940-F942 HydrophobicContact CD-CE2 4.31Å; K940-F942 HydrophobicContact CD-CZ 4.22Å; K940-E965 WeakPolarHBondContact CA-O 2.97Å; K940-E965 HydrophobicContact CB-CB 4.36Å; K940-E965 WeakPolarHBondContact CD-OE2 3.47Å; K940-E965 WeakPolarHBondContact CE-OE2 3.5Å; K940-E965 HydrophobicContact CG-CB 4.05Å
941L94.4Very high88.8Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-131.7113.8177.9-178.856.8000111.2L919 L938 L943 L957 L963 E965 L966 S967L919-L941 HydrophobicContact CB-CD1 4.12Å; L919-L941 HydrophobicContact CD2-CD1 3.95Å; L919-L941 HydrophobicContact CG-CD1 4.02Å; L919-L941 WeakPolarHBondContact O-CA 3.41Å; L938-L941 HydrophobicContact CD2-CB 4.11Å; L938-L941 HydrophobicContact CD2-CD1 4.33Å; L938-L941 HydrophobicContact CD2-CD2 4.41Å; L941-L943 HydrophobicContact CD1-CD1 4.43Å; L941-L943 HydrophobicContact CD1-CD2 4.47Å; L941-L943 HydrophobicContact CD1-CG 4.15Å; L941-L943 HydrophobicContact CD2-CD1 3.85Å; L941-L943 HydrophobicContact CD2-CG 4.44Å; L941-L943 HydrophobicContact CG-CD1 3.95Å; L941-L943 HydrophobicContact CG-CG 4.01Å; L941-L957 HydrophobicContact CD2-CD1 4.26Å; L941-L957 HydrophobicContact CD2-CD2 4.01Å; L941-L963 HydrophobicContact CB-CD1 3.74Å; L941-E965 PolarHBondContact N-O 2.94Å; L941-L966 HydrophobicContact CB-CD1 4.11Å; L941-L966 HydrophobicContact CD2-CD1 4.05Å; L941-L966 HydrophobicContact CG-CD1 4.06Å; L941-L966 WeakPolarHBondContact O-CA 3.47Å; L941-S967 PolarHBondContact O-N 3.04Å
942F95.1Very high88.9Confident31 Ų3151 Ų5114%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-106.3112.4178.8-56.2-79.7000110.9L919 H920 L921 A922 K940 E965L919-F942 PolarHBondContact O-N 3.24Å; H920-F942 HydrophobicContact CB-CD2 4.44Å; H920-F942 AromaticContact CD2-CD2 3.79Å; H920-F942 AromaticContact CE1-CD2 3.29Å; H920-F942 WeakPolarHBondContact CE1-CD2 3.4Å; H920-F942 AromaticContact CE1-CE2 3.27Å; H920-F942 WeakPolarHBondContact CE1-CE2 3.32Å; H920-F942 AromaticContact CG-CD2 3.62Å; H920-F942 AromaticContact ND1-CD2 3.32Å; H920-F942 VanDerWaalsContact ND1-CD2 3.32Å; H920-F942 WeakPolarHBondContact ND1-CD2 3.49Å; H920-F942 AromaticContact ND1-CE2 3.82Å; H920-F942 AromaticContact NE2-CD2 3.57Å; H920-F942 AromaticContact NE2-CE2 3.46Å; H920-F942 WeakPolarHBondContact NE2-CE2 3.22Å; L921-F942 CarbonylContact C-O 3.33Å; L921-F942 WeakPolarHBondContact CA-O 3.27Å; L921-F942 PolarHBondContact N-O 3.38Å; A922-F942 PolarHBondContact N-O 3.32Å; K940-F942 HydrophobicContact CB-CE2 3.84Å; K940-F942 HydrophobicContact CB-CZ 4.18Å; K940-F942 HydrophobicContact CD-CE2 4.31Å; K940-F942 HydrophobicContact CD-CZ 4.22Å; F942-E965 HydrophobicContact CE1-CG 4.21Å; F942-E965 WeakPolarHBondContact CE1-OE1 3.24Å; F942-E965 HydrophobicContact CZ-CG 4.36Å
943L93.1Very high89.1Confident0 Ų051.6 Ų51.60%026%0.262CS..  trans-120.119.1-177.8-70.5167.3000112.7L921 I926 L929 L941 N946 L948 L966 S967 V968 N971L921-L943 HydrophobicContact CB-CD2 3.91Å; L921-L943 HydrophobicContact CD1-CD2 4.06Å; I926-L943 HydrophobicContact CD1-CD2 4.3Å; L929-L943 HydrophobicContact CD1-CD1 3.78Å; L929-L943 HydrophobicContact CD2-CD1 3.79Å; L929-L943 HydrophobicContact CD2-CD2 4.02Å; L929-L943 HydrophobicContact CG-CD1 4.48Å; L941-L943 HydrophobicContact CD1-CD1 4.43Å; L941-L943 HydrophobicContact CD1-CD2 4.47Å; L941-L943 HydrophobicContact CD1-CG 4.15Å; L941-L943 HydrophobicContact CD2-CD1 3.85Å; L941-L943 HydrophobicContact CD2-CG 4.44Å; L941-L943 HydrophobicContact CG-CD1 3.95Å; L941-L943 HydrophobicContact CG-CG 4.01Å; L943-N946 PolarHBondContact O-ND2 2.85Å; L943-L948 HydrophobicContact CD1-CD1 4.41Å; L943-L966 HydrophobicContact CD1-CD1 4.31Å; L943-S967 CarbonylContact C-O 3.47Å; L943-S967 VanDerWaalsContact C-O 3.31Å; L943-S967 VanDerWaalsContact CA-O 3.23Å; L943-S967 WeakPolarHBondContact CA-O 3.28Å; L943-S967 WeakPolarHBondContact CB-O 3.14Å; L943-S967 PolarHBondContact N-O 3.5Å; L943-V968 HydrophobicContact CB-CG1 4.45Å; L943-N971 PolarHBondContact O-ND2 2.96Å
944N92.9Very high89.4Confident31 Ų3148.2 Ų48.217%0.16624%0.239CC..THydrogen-bonded Turntrans-54.3148.1-178.6-63.8-43.1000112.8A922 D923 N946 S967 V968 S969A922-N944 CarbonylContact C-O 3.57Å; A922-N944 VanDerWaalsContact CA-O 3.24Å; A922-N944 WeakPolarHBondContact CA-O 3.42Å; A922-N944 HydrophobicContact CB-CB 4Å; D923-N944 PolarHBondContact N-O 3.44Å; N944-N946 VanDerWaalsContact C-N 3.3Å; N944-N946 PolarHBondContact O-N 3.34Å; N944-N946 PolarHBondContact O-ND2 2.86Å; N944-S967 PolarHBondContact N-O 2.81Å; N944-S967 VanDerWaalsContact ND2-CB 3.35Å; N944-S967 WeakPolarHBondContact ND2-CB 3.49Å; N944-S967 PolarHBondContact ND2-OG 3.23Å; N944-S967 VanDerWaalsContact OD1-CB 3.28Å; N944-S967 WeakPolarHBondContact OD1-CB 3.49Å; N944-S967 PolarHBondContact OD1-OG 3.46Å; N944-V968 PolarHBondContact OD1-N 3.06Å; N944-S969 CarbonylContact C-O 3.53Å; N944-S969 VanDerWaalsContact CA-O 3.22Å; N944-S969 WeakPolarHBondContact CA-O 3.23Å; N944-S969 VanDerWaalsContact CG-OG 3.27Å; N944-S969 PolarHBondContact OD1-N 3.37Å; N944-S969 VanDerWaalsContact OD1-N 3.1Å; N944-S969 PolarHBondContact OD1-OG 2.94Å
945M92.4Very high89.6Confident109 Ų10949.3 Ų49.354%0.53724%0.241SC..THydrogen-bonded Turntrans55.939.1172.7-62.2-66.7-7100114.2D923 S969D923-M945 HydrophobicContact CB-CB 4.38Å; M945-S969 PolarHBondContact N-O 2.95Å
946N94.2Very high89.6Confident0 Ų053.3 Ų53.30%026%0.258CS..  trans-99.1-159173.1-85.7-76.8000111.7L921 N924 R925 I926 L943 N944 N971L921-N946 PolarHBondContact O-ND2 3.21Å; N924-N946 WeakPolarHBondContact CA-OD1 3.37Å; N924-N946 WeakPolarHBondContact CB-OD1 3.35Å; N924-N946 PolarHBondContact O-OD1 3.11Å; R925-N946 PolarHBondContact N-OD1 2.9Å; I926-N946 HydrophobicContact CB-CB 4.44Å; I926-N946 WeakPolarHBondContact CB-OD1 3.46Å; I926-N946 PolarHBondContact N-OD1 3.33Å; L943-N946 PolarHBondContact O-ND2 2.85Å; N944-N946 VanDerWaalsContact C-N 3.3Å; N944-N946 PolarHBondContact O-N 3.34Å; N944-N946 PolarHBondContact O-ND2 2.86Å; N946-N971 WeakPolarHBondContact CA-OD1 3.39Å; N946-N971 WeakPolarHBondContact CB-OD1 3.45Å; N946-N971 PolarHBondContact N-OD1 3.14Å; N946-N971 PolarHBondContact O-OD1 3.17Å
947K92.3Very high89.6Confident116 Ų11650.3 Ų50.350%0.50424%0.24SC..  trans-12431.8-178-57.7-62.9168.2-151.90112.4I926 R927 Q949 N971I926-K947 CarbonylContact O-C 3.11Å; I926-K947 VanDerWaalsContact O-C 3.24Å; I926-K947 VanDerWaalsContact O-CA 3.31Å; I926-K947 WeakPolarHBondContact O-CA 3.43Å; I926-K947 PolarHBondContact O-N 3.39Å; R927-K947 HydrophobicContact CG-CB 3.89Å; K947-Q949 PolarHBondContact O-N 3.21Å; K947-N971 PolarHBondContact N-OD1 2.91Å
948L90.2Very high89.4Confident0 Ų050.8 Ų50.80%024%0.244CC..  trans-71.1115.7176.1-58.3173.8000110.2I926 R927 L929 L943 L954 N971 P972 V973I926-L948 HydrophobicContact CG2-CD2 4.31Å; I926-L948 PolarHBondContact O-N 3.24Å; R927-L948 WeakPolarHBondContact O-CD2 3.43Å; L929-L948 HydrophobicContact CD1-CD1 3.92Å; L929-L948 HydrophobicContact CD1-CD2 4.33Å; L929-L948 HydrophobicContact CD2-CD1 4.34Å; L929-L948 HydrophobicContact CD2-CD2 4.05Å; L929-L948 HydrophobicContact CG-CD1 4.25Å; L929-L948 HydrophobicContact CG-CD2 3.82Å; L943-L948 HydrophobicContact CD1-CD1 4.41Å; L948-L954 HydrophobicContact CD1-CD2 4.24Å; L948-N971 HydrophobicContact CB-CB 4.1Å; L948-N971 WeakPolarHBondContact CB-OD1 3.45Å; L948-N971 WeakPolarHBondContact CG-OD1 3.44Å; L948-N971 PolarHBondContact N-OD1 3.37Å; L948-P972 WeakPolarHBondContact O-CD 3.38Å; L948-V973 HydrophobicContact CB-CG1 4.21Å; L948-V973 PolarHBondContact O-N 3.1Å
949Q88.1Confident89Confident141 Ų14154.9 Ų54.966%0.65927%0.269SS*.  trans-99.8-46.1-176.5-174.5169.4-700112.9K947 P972K947-Q949 PolarHBondContact O-N 3.21Å; Q949-P972 HydrophobicContact CB-CB 4.46Å
950D86.4Confident88.7Confident94 Ų9451.9 Ų51.950%0.50326%0.255SS..  trans-95.5139.4-172.5-59.1-41.1000111.7T952 E953D950-T952 PolarHBondContact O-N 2.85Å; D950-E953 PolarHBondContact O-N 2.97Å
951I85.1Confident88.1Confident41 Ų4152.5 Ų52.521%0.2127%0.266CS..THydrogen-bonded Turntrans-66.3-28.4178.4-165.872.9000112.3E953 L954 H955 V973 H979 D982 V983I951-E953 PolarHBondContact O-N 3.02Å; I951-E953 VanDerWaalsContact O-N 3.15Å; I951-L954 HydrophobicContact CD1-CD1 3.93Å; I951-L954 WeakPolarHBondContact O-CB 3.37Å; I951-L954 PolarHBondContact O-N 3.41Å; I951-H955 PolarHBondContact O-CD2 3.35Å; I951-H955 PolarHBondContact O-N 3.32Å; I951-V973 HydrophobicContact CB-CG2 4.17Å; I951-V973 HydrophobicContact CD1-CG2 3.66Å; I951-H979 HydrophobicContact CD1-CB 3.8Å; I951-D982 HydrophobicContact CD1-CB 4.2Å; I951-D982 HydrophobicContact CG1-CB 4.14Å; I951-V983 HydrophobicContact CD1-CG2 4.33Å
952T84.6Confident87.8Confident77 Ų7754.8 Ų54.847%0.47228%0.281SS..Hα-helixtrans-59.6-25.8177.8540000112.7D950 L954 H955D950-T952 PolarHBondContact O-N 2.85Å; T952-L954 VanDerWaalsContact C-N 3.3Å; T952-L954 PolarHBondContact O-N 3.5Å; T952-H955 PolarHBondContact O-N 3Å
953E86Confident87.6Confident19 Ų1953.5 Ų53.59%0.08928%0.276CS..Hα-helixtrans-68.2-29.5173.7-64.9-57.2125.500112.4E928 L929 D950 I951 K956E928-E953 VanDerWaalsContact CA-OE2 3.24Å; E928-E953 WeakPolarHBondContact CA-OE2 3.33Å; L929-E953 PolarHBondContact N-OE2 3.25Å; D950-E953 PolarHBondContact O-N 2.97Å; I951-E953 PolarHBondContact O-N 3.02Å; I951-E953 VanDerWaalsContact O-N 3.15Å; E953-K956 WeakPolarHBondContact O-CB 3.43Å; E953-K956 VanDerWaalsContact OE1-CE 3.3Å; E953-K956 WeakPolarHBondContact OE1-CE 3.33Å; E953-K956 IonicContact OE1-NZ 3.41Å; E953-K956 PolarHBondContact OE1-NZ 3.34Å; E953-K956 IonicContact OE2-NZ 3.34Å; E953-K956 PolarHBondContact OE2-NZ 3.19Å
954L85.1Confident87.5Confident3 Ų355.3 Ų55.32%0.01629%0.287CS..Hα-helixtrans-76.1-31.7175.7-56.8-174.5000111.5L929 L948 I951 T952 K956 L957 V968 V973 V983L929-L954 HydrophobicContact CD1-CD2 3.89Å; L948-L954 HydrophobicContact CD1-CD2 4.24Å; I951-L954 HydrophobicContact CD1-CD1 3.93Å; I951-L954 WeakPolarHBondContact O-CB 3.37Å; I951-L954 PolarHBondContact O-N 3.41Å; T952-L954 VanDerWaalsContact C-N 3.3Å; T952-L954 PolarHBondContact O-N 3.5Å; L954-K956 PolarHBondContact O-N 3.32Å; L954-L957 HydrophobicContact CD2-CD1 4.42Å; L954-L957 VanDerWaalsContact O-CB 3.28Å; L954-L957 WeakPolarHBondContact O-CB 3.4Å; L954-L957 PolarHBondContact O-N 3.11Å; L954-V968 HydrophobicContact CD2-CG1 3.96Å; L954-V973 HydrophobicContact CD1-CG1 4.2Å; L954-V973 HydrophobicContact CD1-CG2 4.15Å; L954-V983 HydrophobicContact CB-CG2 4.1Å; L954-V983 HydrophobicContact CD1-CG2 3.35Å; L954-V983 HydrophobicContact CG-CG2 4.35Å
955H84.5Confident87.5Confident55 Ų5556.1 Ų56.126%0.25529%0.29SS..Hα-helixtrans-62.5-29.1175-60.1-174.5000111.6I951 T952 L957 E958 H986I951-H955 PolarHBondContact O-CD2 3.35Å; I951-H955 PolarHBondContact O-N 3.32Å; T952-H955 PolarHBondContact O-N 3Å; H955-L957 PolarHBondContact O-N 2.98Å; H955-L957 VanDerWaalsContact O-N 3.09Å; H955-E958 VanDerWaalsContact O-CB 3.23Å; H955-E958 WeakPolarHBondContact O-CB 3.36Å; H955-E958 PolarHBondContact O-N 2.83Å; H955-H986 AromaticContact CD2-CG 3.96Å; H955-H986 AromaticContact CD2-ND1 3.97Å; H955-H986 AromaticContact CE1-CE1 3.5Å; H955-H986 PolarHBondContact CE1-CE1 3.13Å; H955-H986 VanDerWaalsContact CE1-CE1 3.5Å; H955-H986 AromaticContact CE1-NE2 3.46Å; H955-H986 PolarHBondContact CE1-NE2 3.03Å; H955-H986 AromaticContact CG-CD2 3.99Å; H955-H986 AromaticContact ND1-NE2 3.67Å; H955-H986 AromaticContact NE2-CE1 3.5Å; H955-H986 AromaticContact NE2-ND1 3.68Å; H955-H986 AromaticContact NE2-NE2 3.81Å
956K85Confident87.6Confident84 Ų8451 Ų5137%0.36526%0.264SS..G310 helixtrans-62-16.6174.6-62177.8-175.7172.10113.6E953 L954 E958E953-K956 WeakPolarHBondContact O-CB 3.43Å; E953-K956 VanDerWaalsContact OE1-CE 3.3Å; E953-K956 WeakPolarHBondContact OE1-CE 3.33Å; E953-K956 IonicContact OE1-NZ 3.41Å; E953-K956 PolarHBondContact OE1-NZ 3.34Å; E953-K956 IonicContact OE2-NZ 3.34Å; E953-K956 PolarHBondContact OE2-NZ 3.19Å; L954-K956 PolarHBondContact O-N 3.32Å; K956-E958 VanDerWaalsContact C-N 3.3Å
957L85.1Confident87.5Confident0 Ų051.4 Ų51.40%027%0.268CS..G310 helixtrans-79.1-9.4176.3-59.8177000113.3L929 F932 L941 L954 H955 V959 L960 L966 L987L929-L957 HydrophobicContact CB-CD2 4.46Å; L929-L957 HydrophobicContact CD1-CD1 3.94Å; L929-L957 HydrophobicContact CD1-CD2 4.14Å; L929-L957 HydrophobicContact CD1-CG 4.1Å; F932-L957 HydrophobicContact CD2-CD2 4.1Å; F932-L957 HydrophobicContact CG-CD2 4.41Å; L941-L957 HydrophobicContact CD2-CD1 4.26Å; L941-L957 HydrophobicContact CD2-CD2 4.01Å; L954-L957 HydrophobicContact CD2-CD1 4.42Å; L954-L957 VanDerWaalsContact O-CB 3.28Å; L954-L957 WeakPolarHBondContact O-CB 3.4Å; L954-L957 PolarHBondContact O-N 3.11Å; H955-L957 PolarHBondContact O-N 2.98Å; H955-L957 VanDerWaalsContact O-N 3.09Å; L957-V959 PolarHBondContact O-N 3.05Å; L957-L960 HydrophobicContact CD2-CD1 4Å; L957-L960 WeakPolarHBondContact O-CB 3.4Å; L957-L960 PolarHBondContact O-N 2.87Å; L957-L966 HydrophobicContact CD1-CD1 4.09Å; L957-L966 HydrophobicContact CD1-CD2 4.1Å; L957-L987 HydrophobicContact CB-CD1 4.44Å; L957-L987 HydrophobicContact CB-CD2 4.22Å
958E83.5Confident87.4Confident129 Ų12945.9 Ų45.960%0.60324%0.244SC*.G310 helixtrans-56.1-24.6174.9-172.3-177.2172.100112.4H955 K956 L960H955-E958 VanDerWaalsContact O-CB 3.23Å; H955-E958 WeakPolarHBondContact O-CB 3.36Å; H955-E958 PolarHBondContact O-N 2.83Å; K956-E958 VanDerWaalsContact C-N 3.3Å; E958-L960 PolarHBondContact O-N 2.75Å; E958-L960 VanDerWaalsContact O-N 3.1Å
959V83.9Confident87.3Confident86 Ų8648.2 Ų48.252%0.52126%0.26SS..G310 helixtrans-65.7-10.6176.1-169.50000112.8L957 P961L957-V959 PolarHBondContact O-N 3.05Å; V959-P961 VanDerWaalsContact O-CD 3.28Å; V959-P961 WeakPolarHBondContact O-CD 3.39Å
960L86.2Confident87.2Confident9 Ų943.7 Ų43.75%0.04725%0.251CS..  trans-97.3101.4-179.3-61.2175000111.3F932 L935 L938 L957 E958 C962 L963F932-L960 HydrophobicContact CB-CD1 4.4Å; F932-L960 HydrophobicContact CB-CD2 4.28Å; F932-L960 WeakPolarHBondContact O-CD2 3.45Å; L935-L960 HydrophobicContact CB-CD2 3.98Å; L935-L960 WeakPolarHBondContact O-CD2 3.36Å; L938-L960 HydrophobicContact CD2-CD1 4.21Å; L957-L960 HydrophobicContact CD2-CD1 4Å; L957-L960 WeakPolarHBondContact O-CB 3.4Å; L957-L960 PolarHBondContact O-N 2.87Å; E958-L960 PolarHBondContact O-N 2.75Å; E958-L960 VanDerWaalsContact O-N 3.1Å; L960-C962 VanDerWaalsContact C-N 3.32Å; L960-C962 PolarHBondContact O-N 2.84Å; L960-L963 HydrophobicContact CB-CB 4.23Å; L960-L963 HydrophobicContact CD1-CD2 4.33Å
961P82.8Confident87.5Confident78 Ų7839.4 Ų39.451%0.50623%0.228SC..THydrogen-bonded Turntrans-76.6-14.5-170.231-37.3000114.7V959V959-P961 VanDerWaalsContact O-CD 3.28Å; V959-P961 WeakPolarHBondContact O-CD 3.39Å
962C87.6Confident87.7Confident47 Ų4739.8 Ų39.832%0.31823%0.233SC..THydrogen-bonded Turntrans-115.611.5-170-62.20000113.6T936 L938 H939 L960 T964T936-C962 PolarHBondContact O-SG 2.71Å; L938-C962 CarbonylContact O-C 3.19Å; L938-C962 VanDerWaalsContact O-O 3.08Å; H939-C962 WeakPolarHBondContact CA-O 3.48Å; H939-C962 PolarHBondContact ND1-O 2.97Å; L960-C962 VanDerWaalsContact C-N 3.32Å; L960-C962 PolarHBondContact O-N 2.84Å; C962-T964 PolarHBondContact O-N 3.34Å
963L89.8Confident87.8Confident4 Ų436.4 Ų36.42%0.02121%0.213CC..  trans-78.8111.3-171.1-174.469.9000110.9L938 L941 L960 L966 L987 E989 L990L938-L963 HydrophobicContact CD2-CD1 4.44Å; L938-L963 WeakPolarHBondContact O-CA 3.36Å; L938-L963 PolarHBondContact O-N 2.69Å; L941-L963 HydrophobicContact CB-CD1 3.74Å; L960-L963 HydrophobicContact CB-CB 4.23Å; L960-L963 HydrophobicContact CD1-CD2 4.33Å; L963-L966 HydrophobicContact CD2-CB 4.45Å; L963-L987 HydrophobicContact CD2-CD1 4.28Å; L963-E989 CarbonylContact O-C 3.54Å; L963-L990 HydrophobicContact CG-CD1 4.46Å
964T91.3Very high87.7Confident39 Ų3936.8 Ų36.824%0.23922%0.219CC..  trans-102.1-30.4-177.5590000112.7H939 C962 E991 V992H939-T964 PolarHBondContact O-N 3.24Å; H939-T964 PolarHBondContact O-OG1 3.23Å; H939-T964 VanDerWaalsContact O-OG1 3.06Å; C962-T964 PolarHBondContact O-N 3.34Å; T964-E991 WeakPolarHBondContact O-CA 3.37Å; T964-E991 PolarHBondContact O-N 3.22Å; T964-V992 PolarHBondContact O-N 3.1Å
965E94.1Very high87.6Confident48 Ų4847.1 Ų47.122%0.22426%0.258CS..EExtended strand (participates in β ladder)trans-129.5123.6-177.7-176.1171.4-174.800111.4H939 K940 L941 F942 V992H939-E965 PolarHBondContact O-N 3.26Å; K940-E965 WeakPolarHBondContact CA-O 2.97Å; K940-E965 HydrophobicContact CB-CB 4.36Å; K940-E965 WeakPolarHBondContact CD-OE2 3.47Å; K940-E965 WeakPolarHBondContact CE-OE2 3.5Å; K940-E965 HydrophobicContact CG-CB 4.05Å; L941-E965 PolarHBondContact N-O 2.94Å; F942-E965 HydrophobicContact CE1-CG 4.21Å; F942-E965 WeakPolarHBondContact CE1-OE1 3.24Å; F942-E965 HydrophobicContact CZ-CG 4.36Å; E965-V992 WeakPolarHBondContact CA-O 3.41Å; E965-V992 HydrophobicContact CB-CB 4.33Å; E965-V992 HydrophobicContact CG-CB 4.01Å; E965-V992 HydrophobicContact CG-CG1 4.11Å
966L93.1Very high87.5Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-129.4137.6178.8178.963.3000110L941 L943 L957 L963 V968 V983 L987 L990 V992 L993 D994L941-L966 HydrophobicContact CB-CD1 4.11Å; L941-L966 HydrophobicContact CD2-CD1 4.05Å; L941-L966 HydrophobicContact CG-CD1 4.06Å; L941-L966 WeakPolarHBondContact O-CA 3.47Å; L943-L966 HydrophobicContact CD1-CD1 4.31Å; L957-L966 HydrophobicContact CD1-CD1 4.09Å; L957-L966 HydrophobicContact CD1-CD2 4.1Å; L963-L966 HydrophobicContact CD2-CB 4.45Å; L966-V968 HydrophobicContact CD1-CG1 4.17Å; L966-V968 HydrophobicContact CD2-CG1 4.33Å; L966-V968 HydrophobicContact CG-CG1 4.12Å; L966-V983 HydrophobicContact CD2-CG1 3.96Å; L966-L987 HydrophobicContact CD2-CD1 3.8Å; L966-L990 HydrophobicContact CB-CD1 3.61Å; L966-L990 HydrophobicContact CB-CD2 4.32Å; L966-V992 PolarHBondContact N-O 3.01Å; L966-L993 HydrophobicContact CB-CD1 4.12Å; L966-L993 HydrophobicContact CD2-CD1 4.15Å; L966-L993 HydrophobicContact CG-CD1 4.08Å; L966-L993 CarbonylContact O-C 3.53Å; L966-L993 VanDerWaalsContact O-CA 3.28Å; L966-L993 WeakPolarHBondContact O-CA 3.47Å; L966-L993 WeakPolarHBondContact O-CD1 3.35Å; L966-D994 PolarHBondContact O-N 2.9Å
967S92.7Very high87.1Confident10 Ų1049.4 Ų49.47%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-132118.4175.1-151.20000110.7L941 L943 N944 D994L941-S967 PolarHBondContact O-N 3.04Å; L943-S967 CarbonylContact C-O 3.47Å; L943-S967 VanDerWaalsContact C-O 3.31Å; L943-S967 VanDerWaalsContact CA-O 3.23Å; L943-S967 WeakPolarHBondContact CA-O 3.28Å; L943-S967 WeakPolarHBondContact CB-O 3.14Å; L943-S967 PolarHBondContact N-O 3.5Å; N944-S967 PolarHBondContact N-O 2.81Å; N944-S967 VanDerWaalsContact ND2-CB 3.35Å; N944-S967 WeakPolarHBondContact ND2-CB 3.49Å; N944-S967 PolarHBondContact ND2-OG 3.23Å; N944-S967 VanDerWaalsContact OD1-CB 3.28Å; N944-S967 WeakPolarHBondContact OD1-CB 3.49Å; N944-S967 PolarHBondContact OD1-OG 3.46Å; S967-D994 WeakPolarHBondContact CA-OD1 3.39Å; S967-D994 PolarHBondContact OG-OD1 3.11Å
968V90.5Very high86.9Confident0 Ų053.4 Ų53.40%030%0.304CS..  trans-123.76-178.5-66.30000112.8L943 N944 L954 L966 N971 L993 D994L943-V968 HydrophobicContact CB-CG1 4.45Å; N944-V968 PolarHBondContact OD1-N 3.06Å; L954-V968 HydrophobicContact CD2-CG1 3.96Å; L966-V968 HydrophobicContact CD1-CG1 4.17Å; L966-V968 HydrophobicContact CD2-CG1 4.33Å; L966-V968 HydrophobicContact CG-CG1 4.12Å; V968-N971 WeakPolarHBondContact O-CB 3.42Å; V968-N971 PolarHBondContact O-N 3.07Å; V968-N971 PolarHBondContact O-ND2 3.1Å; V968-L993 HydrophobicContact CG2-CD1 4.18Å; V968-D994 PolarHBondContact N-OD1 3.03Å
969S88.1Confident86.9Confident48 Ų4848.2 Ų48.234%0.33628%0.279SS..THydrogen-bonded Turntrans-51.8140.3179.372.70000112.6N944 M945 N971 D994N944-S969 CarbonylContact C-O 3.53Å; N944-S969 VanDerWaalsContact CA-O 3.22Å; N944-S969 WeakPolarHBondContact CA-O 3.23Å; N944-S969 VanDerWaalsContact CG-OG 3.27Å; N944-S969 PolarHBondContact OD1-N 3.37Å; N944-S969 VanDerWaalsContact OD1-N 3.1Å; N944-S969 PolarHBondContact OD1-OG 2.94Å; M945-S969 PolarHBondContact N-O 2.95Å; S969-N971 VanDerWaalsContact C-N 3.28Å; S969-N971 PolarHBondContact O-N 2.98Å; S969-D994 WeakPolarHBondContact CB-OD1 3.37Å; S969-D994 PolarHBondContact N-OD1 2.9Å
970G86.2Confident87Confident47 Ų4745.9 Ų45.949%0.48526%0.261SS..THydrogen-bonded Turntrans784.5-178.800000115.6
971N91.4Very high86.9Confident4 Ų446.6 Ų46.62%0.02127%0.265CS..SBendtrans-84.4152.9166.1-74.7-84.7000111.7L943 N946 K947 L948 V968 S969 V973 A974L943-N971 PolarHBondContact O-ND2 2.96Å; N946-N971 WeakPolarHBondContact CA-OD1 3.39Å; N946-N971 WeakPolarHBondContact CB-OD1 3.45Å; N946-N971 PolarHBondContact N-OD1 3.14Å; N946-N971 PolarHBondContact O-OD1 3.17Å; K947-N971 PolarHBondContact N-OD1 2.91Å; L948-N971 HydrophobicContact CB-CB 4.1Å; L948-N971 WeakPolarHBondContact CB-OD1 3.45Å; L948-N971 WeakPolarHBondContact CG-OD1 3.44Å; L948-N971 PolarHBondContact N-OD1 3.37Å; V968-N971 WeakPolarHBondContact O-CB 3.42Å; V968-N971 PolarHBondContact O-N 3.07Å; V968-N971 PolarHBondContact O-ND2 3.1Å; S969-N971 VanDerWaalsContact C-N 3.28Å; S969-N971 PolarHBondContact O-N 2.98Å; N971-V973 HydrophobicContact CB-CG1 3.86Å; N971-V973 PolarHBondContact O-N 2.94Å; N971-A974 WeakPolarHBondContact O-CB 3.42Å; N971-A974 PolarHBondContact O-N 3.43Å; N971-A974 VanDerWaalsContact O-N 3.09Å
972P89.9Confident87Confident48 Ų4843.3 Ų43.331%0.31224%0.243SC..G310 helixtrans-54.5-35.7172.8-22.227.2000114.3L948 Q949 A974 R975L948-P972 WeakPolarHBondContact O-CD 3.38Å; Q949-P972 HydrophobicContact CB-CB 4.46Å; P972-A974 PolarHBondContact O-N 3.47Å; P972-R975 WeakPolarHBondContact O-CB 3.48Å; P972-R975 PolarHBondContact O-N 3.15Å; P972-R975 VanDerWaalsContact O-N 3.15Å
973V87.6Confident86.8Confident6 Ų641.1 Ų41.14%0.03623%0.228CC..G310 helixtrans-59.4-33.9176.368.70000112.9L948 I951 L954 N971 R975 N976 H979L948-V973 HydrophobicContact CB-CG1 4.21Å; L948-V973 PolarHBondContact O-N 3.1Å; I951-V973 HydrophobicContact CB-CG2 4.17Å; I951-V973 HydrophobicContact CD1-CG2 3.66Å; L954-V973 HydrophobicContact CD1-CG1 4.2Å; L954-V973 HydrophobicContact CD1-CG2 4.15Å; N971-V973 HydrophobicContact CB-CG1 3.86Å; N971-V973 PolarHBondContact O-N 2.94Å; V973-R975 PolarHBondContact O-N 3.41Å; V973-R975 VanDerWaalsContact O-N 3.15Å; V973-N976 PolarHBondContact O-N 2.9Å; V973-H979 HydrophobicContact CG2-CB 4.47Å
974A84.2Confident86.7Confident27 Ų2741.2 Ų41.222%0.22323%0.229CC..G310 helixtrans-71.9-7.3-179.200000113.5N971 P972 N976 H979N971-A974 WeakPolarHBondContact O-CB 3.42Å; N971-A974 PolarHBondContact O-N 3.43Å; N971-A974 VanDerWaalsContact O-N 3.09Å; P972-A974 PolarHBondContact O-N 3.47Å; A974-N976 VanDerWaalsContact C-N 3.35Å; A974-H979 PolarHBondContact O-CE1 2.8Å
975R82.5Confident86.3Confident221 Ų22141.7 Ų41.783%0.83423%0.23SC*.G310 helixtrans-76.1-22.5173.5-64.6-179.2174.8179.9-3.3112.9P972 V973 S977P972-R975 WeakPolarHBondContact O-CB 3.48Å; P972-R975 PolarHBondContact O-N 3.15Å; P972-R975 VanDerWaalsContact O-N 3.15Å; V973-R975 PolarHBondContact O-N 3.41Å; V973-R975 VanDerWaalsContact O-N 3.15Å; R975-S977 PolarHBondContact O-N 3.09Å
976N81.6Confident85.8Confident73 Ų7342.2 Ų42.239%0.3923%0.232SC..SBendtrans-72.3125.4174.8-178.8-2.5000108.7V973 A974 Q978 H979V973-N976 PolarHBondContact O-N 2.9Å; A974-N976 VanDerWaalsContact C-N 3.35Å; N976-Q978 PolarHBondContact O-N 3.02Å; N976-Q978 VanDerWaalsContact O-N 3.15Å; N976-Q978 PolarHBondContact OD1-N 3.26Å; N976-H979 HydrophobicContact CB-CB 4.38Å; N976-H979 PolarHBondContact O-N 3.36Å; N976-H979 PolarHBondContact O-ND1 3.49Å
977S77.1Confident85.4Confident113 Ų11342.9 Ų42.979%0.7924%0.235SC*.THydrogen-bonded Turntrans-62.4-21.6179.549.70000113.9R975R975-S977 PolarHBondContact O-N 3.09Å
978Q80.8Confident84.8Confident85 Ų8546.4 Ų46.440%0.39726%0.257SS..THydrogen-bonded Turntrans-92.2-12.5-178.6-70.3176.9-44.100114.1N976 R980 L981 D982N976-Q978 PolarHBondContact O-N 3.02Å; N976-Q978 VanDerWaalsContact O-N 3.15Å; N976-Q978 PolarHBondContact OD1-N 3.26Å; Q978-R980 PolarHBondContact O-N 3Å; Q978-L981 PolarHBondContact O-N 2.88Å; Q978-D982 VanDerWaalsContact O-CG 3.29Å; Q978-D982 PolarHBondContact O-N 3Å; Q978-D982 VanDerWaalsContact O-N 3.11Å; Q978-D982 VanDerWaalsContact O-OD1 3.13Å
979H83.8Confident84.5Confident20 Ų2051.9 Ų51.99%0.09328%0.282CS..Hα-helixtrans-54.1-34.6-174.880.8-79.2000113.3I951 V973 A974 N976 D982 V983I951-H979 HydrophobicContact CD1-CB 3.8Å; V973-H979 HydrophobicContact CG2-CB 4.47Å; A974-H979 PolarHBondContact O-CE1 2.8Å; N976-H979 HydrophobicContact CB-CB 4.38Å; N976-H979 PolarHBondContact O-N 3.36Å; N976-H979 PolarHBondContact O-ND1 3.49Å; H979-D982 PolarHBondContact O-N 2.99Å; H979-V983 WeakPolarHBondContact O-CB 3.23Å; H979-V983 WeakPolarHBondContact O-CG2 3.42Å; H979-V983 PolarHBondContact O-N 2.9Å
980R86.3Confident84.5Confident36 Ų3649.7 Ų49.714%0.13627%0.267CS..Hα-helixtrans-66.5-44.1-179-173.7175.5169.584.48.4111.6Q978 V984 L993 I996 E1002Q978-R980 PolarHBondContact O-N 3Å; R980-V984 WeakPolarHBondContact O-CB 3.3Å; R980-V984 WeakPolarHBondContact O-CG2 3.13Å; R980-V984 PolarHBondContact O-N 3.03Å; R980-V984 VanDerWaalsContact O-N 3.09Å; R980-L993 HydrophobicContact CB-CD2 4.5Å; R980-L993 HydrophobicContact CG-CD2 3.81Å; R980-L993 PolarHBondContact NH1-O 3.38Å; R980-I996 PolarHBondContact NH2-O 2.68Å; R980-E1002 VanDerWaalsContact CD-OE1 3.27Å; R980-E1002 WeakPolarHBondContact CD-OE1 3.47Å; R980-E1002 IonicContact CZ-OE1 2.71Å; R980-E1002 IonicContact CZ-OE2 2.71Å; R980-E1002 IonicContact NE-OE1 3.27Å; R980-E1002 PolarHBondContact NE-OE1 3.37Å; R980-E1002 IonicContact NE-OE2 3.34Å; R980-E1002 PolarHBondContact NE-OE2 3.26Å; R980-E1002 IonicContact NH2-OE1 3.95Å; R980-E1002 IonicContact NH2-OE2 3.59Å; R980-E1002 PolarHBondContact NH2-OE2 3.48Å
981L83.5Confident84.7Confident24 Ų2453.3 Ų53.313%0.12627%0.271CS..Hα-helixtrans-67.4-40.7177.6-65.3172.9000110.4Q978 V983 V984 L985 E1002 A1006 L1009Q978-L981 PolarHBondContact O-N 2.88Å; L981-V983 PolarHBondContact O-N 3.1Å; L981-V984 PolarHBondContact O-N 3.34Å; L981-L985 WeakPolarHBondContact O-CB 3.46Å; L981-L985 PolarHBondContact O-N 3.18Å; L981-E1002 HydrophobicContact CD2-CG 3.82Å; L981-A1006 HydrophobicContact CB-CB 4.08Å; L981-A1006 HydrophobicContact CD2-CB 4.15Å; L981-A1006 WeakPolarHBondContact O-CB 3.43Å; L981-L1009 HydrophobicContact CD1-CD1 3.77Å
982D84.3Confident84.7Confident9 Ų954.9 Ų54.95%0.04828%0.281CS..Hα-helixtrans-61.5-44.5179-56.2-5.4000111.8I951 Q978 H979 L985 H986 Y1010I951-D982 HydrophobicContact CD1-CB 4.2Å; I951-D982 HydrophobicContact CG1-CB 4.14Å; Q978-D982 VanDerWaalsContact O-CG 3.29Å; Q978-D982 PolarHBondContact O-N 3Å; Q978-D982 VanDerWaalsContact O-N 3.11Å; Q978-D982 VanDerWaalsContact O-OD1 3.13Å; H979-D982 PolarHBondContact O-N 2.99Å; D982-L985 PolarHBondContact O-N 2.73Å; D982-H986 PolarHBondContact O-N 3.46Å; D982-H986 PolarHBondContact O-ND1 3.15Å; D982-Y1010 WeakPolarHBondContact OD1-CE2 3.41Å; D982-Y1010 PolarHBondContact OD1-OH 2.79Å; D982-Y1010 PolarHBondContact OD2-OH 2.63Å
983V85.1Confident84.7Confident2 Ų252.6 Ų52.61%0.01227%0.266CS..Hα-helixtrans-67.4-41.1178.2173.10000111.3I951 L954 L966 H979 L981 L985 H986 L987 L990 L993I951-V983 HydrophobicContact CD1-CG2 4.33Å; L954-V983 HydrophobicContact CB-CG2 4.1Å; L954-V983 HydrophobicContact CD1-CG2 3.35Å; L954-V983 HydrophobicContact CG-CG2 4.35Å; L966-V983 HydrophobicContact CD2-CG1 3.96Å; H979-V983 WeakPolarHBondContact O-CB 3.23Å; H979-V983 WeakPolarHBondContact O-CG2 3.42Å; H979-V983 PolarHBondContact O-N 2.9Å; L981-V983 PolarHBondContact O-N 3.1Å; V983-L985 VanDerWaalsContact C-N 3.28Å; V983-L985 PolarHBondContact O-N 3.19Å; V983-H986 PolarHBondContact O-N 3.33Å; V983-L987 HydrophobicContact CG1-CD1 3.84Å; V983-L987 HydrophobicContact CG1-CG 4.47Å; V983-L987 WeakPolarHBondContact O-CB 3.24Å; V983-L987 PolarHBondContact O-N 3.06Å; V983-L990 HydrophobicContact CG1-CD2 4.07Å; V983-L993 HydrophobicContact CB-CD2 4.09Å; V983-L993 HydrophobicContact CG1-CD1 4.34Å; V983-L993 HydrophobicContact CG1-CD2 3.89Å
984V85.8Confident84.7Confident5 Ų554.3 Ų54.33%0.0328%0.275CS..Hα-helixtrans-65-33.5177.91680000111.7R980 L981 L993 V998 R1003R980-V984 WeakPolarHBondContact O-CB 3.3Å; R980-V984 WeakPolarHBondContact O-CG2 3.13Å; R980-V984 PolarHBondContact O-N 3.03Å; R980-V984 VanDerWaalsContact O-N 3.09Å; L981-V984 PolarHBondContact O-N 3.34Å; V984-L993 HydrophobicContact CG2-CD2 4.25Å; V984-V998 HydrophobicContact CB-CG1 4.41Å; V984-V998 HydrophobicContact CG1-CG1 3.65Å; V984-V998 HydrophobicContact CG2-CG1 3.78Å; V984-V998 HydrophobicContact CG2-CG2 3.95Å; V984-R1003 HydrophobicContact CG1-CB 4.35Å; V984-R1003 HydrophobicContact CG1-CG 3.55Å
985L84.6Confident84.6Confident49 Ų4956 Ų5626%0.25730%0.295SS..Hα-helixtrans-67-45.6175.4-176.466.5000112.1L981 D982 V983 A1006 E1007 Y1010L981-L985 WeakPolarHBondContact O-CB 3.46Å; L981-L985 PolarHBondContact O-N 3.18Å; D982-L985 PolarHBondContact O-N 2.73Å; V983-L985 VanDerWaalsContact C-N 3.28Å; V983-L985 PolarHBondContact O-N 3.19Å; L985-A1006 HydrophobicContact CB-CB 4.21Å; L985-E1007 HydrophobicContact CD1-CG 3.98Å; L985-Y1010 HydrophobicContact CD2-CD2 3.58Å; L985-Y1010 HydrophobicContact CD2-CE2 4.37Å; L985-Y1010 HydrophobicContact CD2-CG 3.7Å
986H82.8Confident84.8Confident59 Ų5950.4 Ų50.427%0.27328%0.28SS..Hα-helixtrans-83.4-23.6-174.6-67.379.7000113.6H955 D982 V983H955-H986 AromaticContact CD2-CG 3.96Å; H955-H986 AromaticContact CD2-ND1 3.97Å; H955-H986 AromaticContact CE1-CE1 3.5Å; H955-H986 PolarHBondContact CE1-CE1 3.13Å; H955-H986 VanDerWaalsContact CE1-CE1 3.5Å; H955-H986 AromaticContact CE1-NE2 3.46Å; H955-H986 PolarHBondContact CE1-NE2 3.03Å; H955-H986 AromaticContact CG-CD2 3.99Å; H955-H986 AromaticContact ND1-NE2 3.67Å; H955-H986 AromaticContact NE2-CE1 3.5Å; H955-H986 AromaticContact NE2-ND1 3.68Å; H955-H986 AromaticContact NE2-NE2 3.81Å; D982-H986 PolarHBondContact O-N 3.46Å; D982-H986 PolarHBondContact O-ND1 3.15Å; V983-H986 PolarHBondContact O-N 3.33Å
987L84.7Confident85.1Confident14 Ų1450 Ų507%0.07329%0.287CS..  trans-111.783.7179.4-59.8179.9000111L957 L963 L966 V983 E989 L990L957-L987 HydrophobicContact CB-CD1 4.44Å; L957-L987 HydrophobicContact CB-CD2 4.22Å; L963-L987 HydrophobicContact CD2-CD1 4.28Å; L966-L987 HydrophobicContact CD2-CD1 3.8Å; V983-L987 HydrophobicContact CG1-CD1 3.84Å; V983-L987 HydrophobicContact CG1-CG 4.47Å; V983-L987 WeakPolarHBondContact O-CB 3.24Å; V983-L987 PolarHBondContact O-N 3.06Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.26Å; L987-L990 HydrophobicContact CB-CB 4.09Å; L987-L990 HydrophobicContact CD1-CD2 4.48Å; L987-L990 VanDerWaalsContact O-CB 3.29Å; L987-L990 WeakPolarHBondContact O-CB 3.5Å; L987-L990 PolarHBondContact O-N 2.8Å
988T80.9Confident85.6Confident84 Ų8445.6 Ų45.652%0.51526%0.255SS..THydrogen-bonded Turntrans-66-27.1-171.760.20000114.5L990 R1003T988-L990 VanDerWaalsContact C-N 3.32Å; T988-R1003 PolarHBondContact O-NH1 3.3Å; T988-R1003 PolarHBondContact O-NH2 3.49Å
989E84Confident85.9Confident116 Ų11645 Ų4554%0.54226%0.257SS..THydrogen-bonded Turntrans-88.62.5-178.7-58.1-53.4122.700113.3L963 L987 E991L963-E989 CarbonylContact O-C 3.54Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.26Å; E989-E991 PolarHBondContact O-N 2.89Å
990L88.1Confident85.8Confident1 Ų147.6 Ų47.61%0.00528%0.282CS..  trans-76.1119.9-175.1-166.771.5000112.2L963 L966 V983 L987 T988 L993 R1003L963-L990 HydrophobicContact CG-CD1 4.46Å; L966-L990 HydrophobicContact CB-CD1 3.61Å; L966-L990 HydrophobicContact CB-CD2 4.32Å; V983-L990 HydrophobicContact CG1-CD2 4.07Å; L987-L990 HydrophobicContact CB-CB 4.09Å; L987-L990 HydrophobicContact CD1-CD2 4.48Å; L987-L990 VanDerWaalsContact O-CB 3.29Å; L987-L990 WeakPolarHBondContact O-CB 3.5Å; L987-L990 PolarHBondContact O-N 2.8Å; T988-L990 VanDerWaalsContact C-N 3.32Å; L990-L993 HydrophobicContact CD2-CB 3.89Å; L990-L993 HydrophobicContact CD2-CD1 4.27Å; L990-L993 HydrophobicContact CD2-CD2 4.26Å; L990-L993 HydrophobicContact CD2-CG 4.37Å; L990-R1003 PolarHBondContact O-NH2 3.37Å
991E89.8Confident85.5Confident124 Ų12453.6 Ų53.658%0.57931%0.312SS*.  trans-94.5-36.9178.7-62.2-175.8168.400112.3T964 E989 A997 V998T964-E991 WeakPolarHBondContact O-CA 3.37Å; T964-E991 PolarHBondContact O-N 3.22Å; E989-E991 PolarHBondContact O-N 2.89Å; E991-A997 CarbonylContact O-C 3.58Å; E991-A997 WeakPolarHBondContact O-CA 3.45Å; E991-V998 PolarHBondContact O-N 3.46Å
992V91.6Very high85.5Confident37 Ų3754.3 Ų54.322%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-131.9125.7-175.6-179.80000110.2T964 E965 L966T964-V992 PolarHBondContact O-N 3.1Å; E965-V992 WeakPolarHBondContact CA-O 3.41Å; E965-V992 HydrophobicContact CB-CB 4.33Å; E965-V992 HydrophobicContact CG-CB 4.01Å; E965-V992 HydrophobicContact CG-CG1 4.11Å; L966-V992 PolarHBondContact N-O 3.01Å
993L89.9Confident85.4Confident0 Ų057.7 Ų57.70%033%0.327CS..EExtended strand (participates in β ladder)trans-124.4121.8173.7-18056.6000109.6L966 V968 R980 V983 V984 L990 G995 I996 V998L966-L993 HydrophobicContact CB-CD1 4.12Å; L966-L993 HydrophobicContact CD2-CD1 4.15Å; L966-L993 HydrophobicContact CG-CD1 4.08Å; L966-L993 CarbonylContact O-C 3.53Å; L966-L993 VanDerWaalsContact O-CA 3.28Å; L966-L993 WeakPolarHBondContact O-CA 3.47Å; L966-L993 WeakPolarHBondContact O-CD1 3.35Å; V968-L993 HydrophobicContact CG2-CD1 4.18Å; R980-L993 HydrophobicContact CB-CD2 4.5Å; R980-L993 HydrophobicContact CG-CD2 3.81Å; R980-L993 PolarHBondContact NH1-O 3.38Å; V983-L993 HydrophobicContact CB-CD2 4.09Å; V983-L993 HydrophobicContact CG1-CD1 4.34Å; V983-L993 HydrophobicContact CG1-CD2 3.89Å; V984-L993 HydrophobicContact CG2-CD2 4.25Å; L990-L993 HydrophobicContact CD2-CB 3.89Å; L990-L993 HydrophobicContact CD2-CD1 4.27Å; L990-L993 HydrophobicContact CD2-CD2 4.26Å; L990-L993 HydrophobicContact CD2-CG 4.37Å; L993-G995 VanDerWaalsContact C-N 3.26Å; L993-G995 PolarHBondContact O-N 2.98Å; L993-I996 PolarHBondContact N-O 3.34Å; L993-I996 PolarHBondContact O-N 3.5Å; L993-I996 VanDerWaalsContact O-O 3.08Å; L993-V998 HydrophobicContact CB-CG2 4.16Å
994D86.9Confident85.3Confident42 Ų4264.2 Ų64.223%0.22536%0.355CS..THydrogen-bonded Turntrans55.636.7-178.5-68.8-39.9000114.4L966 S967 V968 S969 I996L966-D994 PolarHBondContact O-N 2.9Å; S967-D994 WeakPolarHBondContact CA-OD1 3.39Å; S967-D994 PolarHBondContact OG-OD1 3.11Å; V968-D994 PolarHBondContact N-OD1 3.03Å; S969-D994 WeakPolarHBondContact CB-OD1 3.37Å; S969-D994 PolarHBondContact N-OD1 2.9Å; D994-I996 PolarHBondContact O-N 3.04Å
995G83.1Confident85.1Confident62 Ų6270 Ų7064%0.63938%0.38SS*.THydrogen-bonded Turntrans75.16.1-178.400000114.3L993L993-G995 VanDerWaalsContact C-N 3.26Å; L993-G995 PolarHBondContact O-N 2.98Å
996I86.7Confident84.9Confident104 Ų10467.7 Ų67.753%0.53337%0.368SS..EExtended strand (participates in β ladder)trans-112.8126.7177.4-55.3172.4000108.9R980 L993 D994R980-I996 PolarHBondContact NH2-O 2.68Å; L993-I996 PolarHBondContact N-O 3.34Å; L993-I996 PolarHBondContact O-N 3.5Å; L993-I996 VanDerWaalsContact O-O 3.08Å; D994-I996 PolarHBondContact O-N 3.04Å
997A88Confident84.8Confident64 Ų6469.6 Ų69.653%0.52938%0.377SS..EExtended strand (participates in β ladder)trans-62.2136.5177.400000111.5E991E991-A997 CarbonylContact O-C 3.58Å; E991-A997 WeakPolarHBondContact O-CA 3.45Å
998V87.4Confident84.6Confident20 Ų2074.5 Ų74.512%0.12140%0.402CS..PPolyproline II helixtrans-80.9119.8175.7-179.60000108.4V984 E991 L993 R1003V984-V998 HydrophobicContact CB-CG1 4.41Å; V984-V998 HydrophobicContact CG1-CG1 3.65Å; V984-V998 HydrophobicContact CG2-CG1 3.78Å; V984-V998 HydrophobicContact CG2-CG2 3.95Å; E991-V998 PolarHBondContact O-N 3.46Å; L993-V998 HydrophobicContact CB-CG2 4.16Å; V998-R1003 HydrophobicContact CG1-CG 3.95Å
999T87.6Confident84.2Confident72 Ų7274 Ų7444%0.44240%0.396SS..PPolyproline II helixtrans-89.9155.8-179.563.90000111.8E1001 E1002 R1003T999-E1001 PolarHBondContact O-N 2.8Å; T999-E1002 WeakPolarHBondContact O-CB 3.35Å; T999-E1002 PolarHBondContact O-N 2.73Å; T999-E1002 WeakPolarHBondContact OG1-CB 3.42Å; T999-E1002 PolarHBondContact OG1-N 3.39Å; T999-R1003 PolarHBondContact O-N 3.4Å
1000A80.4Confident83.4Confident75 Ų7573.7 Ų73.762%0.6239%0.391SS*.Hα-helixtrans-63.4-28.1176.200000113.1K1004A1000-K1004 PolarHBondContact O-N 3.26Å
1001E80.6Confident82Confident163 Ų16381 Ų8176%0.76243%0.425SS*.Hα-helixtrans-69.5-39.8174.7-64.2179.3-178.500111.7T999 R1003 K1004 K1005T999-E1001 PolarHBondContact O-N 2.8Å; E1001-R1003 VanDerWaalsContact C-N 3.34Å; E1001-K1004 PolarHBondContact O-N 3.11Å; E1001-K1005 WeakPolarHBondContact O-CB 3.43Å; E1001-K1005 PolarHBondContact O-N 2.78Å
1002E82.6Confident79.8Confident38 Ų3885.2 Ų85.218%0.17845%0.451CS..Hα-helixtrans-64.1-39177-174.6167.9-147.400111.7R980 L981 T999 K1005 A1006R980-E1002 VanDerWaalsContact CD-OE1 3.27Å; R980-E1002 WeakPolarHBondContact CD-OE1 3.47Å; R980-E1002 IonicContact CZ-OE1 2.71Å; R980-E1002 IonicContact CZ-OE2 2.71Å; R980-E1002 IonicContact NE-OE1 3.27Å; R980-E1002 PolarHBondContact NE-OE1 3.37Å; R980-E1002 IonicContact NE-OE2 3.34Å; R980-E1002 PolarHBondContact NE-OE2 3.26Å; R980-E1002 IonicContact NH2-OE1 3.95Å; R980-E1002 IonicContact NH2-OE2 3.59Å; R980-E1002 PolarHBondContact NH2-OE2 3.48Å; L981-E1002 HydrophobicContact CD2-CG 3.82Å; T999-E1002 WeakPolarHBondContact O-CB 3.35Å; T999-E1002 PolarHBondContact O-N 2.73Å; T999-E1002 WeakPolarHBondContact OG1-CB 3.42Å; T999-E1002 PolarHBondContact OG1-N 3.39Å; E1002-K1005 PolarHBondContact O-N 3.31Å; E1002-A1006 PolarHBondContact O-N 2.7Å
1003R83.8Confident79.2Confident81 Ų8187.6 Ų87.631%0.30646%0.463SS..Hα-helixtrans-62.6-50.5174.4-70.4-179.1-178-152.6-1.7112.5V984 T988 L990 V998 T999 E1001 K1005 A1006 E1007V984-R1003 HydrophobicContact CG1-CB 4.35Å; V984-R1003 HydrophobicContact CG1-CG 3.55Å; T988-R1003 PolarHBondContact O-NH1 3.3Å; T988-R1003 PolarHBondContact O-NH2 3.49Å; L990-R1003 PolarHBondContact O-NH2 3.37Å; V998-R1003 HydrophobicContact CG1-CG 3.95Å; T999-R1003 PolarHBondContact O-N 3.4Å; E1001-R1003 VanDerWaalsContact C-N 3.34Å; R1003-K1005 PolarHBondContact O-N 3.15Å; R1003-A1006 WeakPolarHBondContact O-CB 3.26Å; R1003-A1006 PolarHBondContact O-N 2.97Å; R1003-E1007 WeakPolarHBondContact O-CG 3.47Å; R1003-E1007 PolarHBondContact O-N 3.09Å
1004K82.1Confident78.6Confident138 Ų13892.2 Ų92.260%0.649%0.487SS*.Hα-helixtrans-58.9-38.1176.2-72.4-178.4-179.9-177.70112.4A1000 E1001 A1006 E1007 L1008A1000-K1004 PolarHBondContact O-N 3.26Å; E1001-K1004 PolarHBondContact O-N 3.11Å; K1004-A1006 VanDerWaalsContact C-N 3.34Å; K1004-E1007 PolarHBondContact O-N 3.26Å; K1004-L1008 VanDerWaalsContact O-CG 3.3Å; K1004-L1008 WeakPolarHBondContact O-CG 3.37Å; K1004-L1008 PolarHBondContact O-N 3.46Å
1005K81.9Confident78.2Confident127 Ų12795 Ų9555%0.55250%0.502SS*.Hα-helixtrans-66.6-36.8176.9-173.9177.7178.8-177.90112E1001 E1002 R1003 L1009E1001-K1005 WeakPolarHBondContact O-CB 3.43Å; E1001-K1005 PolarHBondContact O-N 2.78Å; E1002-K1005 PolarHBondContact O-N 3.31Å; R1003-K1005 PolarHBondContact O-N 3.15Å; K1005-L1009 HydrophobicContact CG-CD1 4.32Å; K1005-L1009 WeakPolarHBondContact O-CB 3.32Å; K1005-L1009 PolarHBondContact O-N 3.08Å
1006A81.1Confident77.9Confident0 Ų096.9 Ų96.90%049%0.494CS..Hα-helixtrans-68.4-41.8175.200000111.8L981 L985 E1002 R1003 K1004 L1009L981-A1006 HydrophobicContact CB-CB 4.08Å; L981-A1006 HydrophobicContact CD2-CB 4.15Å; L981-A1006 WeakPolarHBondContact O-CB 3.43Å; L985-A1006 HydrophobicContact CB-CB 4.21Å; E1002-A1006 PolarHBondContact O-N 2.7Å; R1003-A1006 WeakPolarHBondContact O-CB 3.26Å; R1003-A1006 PolarHBondContact O-N 2.97Å; K1004-A1006 VanDerWaalsContact C-N 3.34Å; A1006-L1009 PolarHBondContact O-N 3.02Å
1007E80.8Confident77.3Confident100 Ų10096.5 Ų96.547%0.46749%0.491SS..Hα-helixtrans-59-49.9175-70.5166.5-179.200111.5L985 R1003 K1004 L1009 Y1010 E1011L985-E1007 HydrophobicContact CD1-CG 3.98Å; R1003-E1007 WeakPolarHBondContact O-CG 3.47Å; R1003-E1007 PolarHBondContact O-N 3.09Å; K1004-E1007 PolarHBondContact O-N 3.26Å; E1007-L1009 VanDerWaalsContact C-N 3.26Å; E1007-L1009 PolarHBondContact O-N 2.88Å; E1007-Y1010 PolarHBondContact O-N 3.06Å; E1007-E1011 WeakPolarHBondContact O-CG 3.34Å; E1007-E1011 PolarHBondContact O-N 2.75Å
1008L80.2Confident76.6Confident116 Ų11698.7 Ų98.761%0.60749%0.488SS*.Hα-helixtrans-64.4-25.6179.9-71.6168.7000114.4K1004 Y1010K1004-L1008 VanDerWaalsContact O-CG 3.3Å; K1004-L1008 WeakPolarHBondContact O-CG 3.37Å; K1004-L1008 PolarHBondContact O-N 3.46Å; L1008-Y1010 VanDerWaalsContact C-N 3.31Å
1009L72.8Confident75.8Confident74 Ų74104.3 Ų104.339%0.38752%0.515SS..Hα-helixtrans-78.9-15.3-178.4-113.7146.5000113.3L981 K1005 A1006 E1007L981-L1009 HydrophobicContact CD1-CD1 3.77Å; K1005-L1009 HydrophobicContact CG-CD1 4.32Å; K1005-L1009 WeakPolarHBondContact O-CB 3.32Å; K1005-L1009 PolarHBondContact O-N 3.08Å; A1006-L1009 PolarHBondContact O-N 3.02Å; E1007-L1009 VanDerWaalsContact C-N 3.26Å; E1007-L1009 PolarHBondContact O-N 2.88Å
1010Y66.9Low74.9Confident109 Ų109106.8 Ų106.843%0.42752%0.52SS..Hα-helixtrans-124.14.1-174.8-77.4-79.3000113.7D982 L985 E1007 L1008D982-Y1010 WeakPolarHBondContact OD1-CE2 3.41Å; D982-Y1010 PolarHBondContact OD1-OH 2.79Å; D982-Y1010 PolarHBondContact OD2-OH 2.63Å; L985-Y1010 HydrophobicContact CD2-CD2 3.58Å; L985-Y1010 HydrophobicContact CD2-CE2 4.37Å; L985-Y1010 HydrophobicContact CD2-CG 3.7Å; E1007-Y1010 PolarHBondContact O-N 3.06Å; L1008-Y1010 VanDerWaalsContact C-N 3.31Å
1011E58.6Low74.5Confident155 Ų155109.4 Ų109.472%0.72451%0.512SS*.  trans-85.2-14.3171.4-84.2-174.1159.500113.9E1007E1007-E1011 WeakPolarHBondContact O-CG 3.34Å; E1007-E1011 PolarHBondContact O-N 2.75Å
1012D42.5Very low73.9Confident212 Ų212104.5 Ų104.5100%1.13449%0.489SS*.  trans-92.60171.8-79.5-22.9000111.8

Retrieved 1,012 of 1,012 residues in 1917.4 ms (Link to these results)

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