A0A087X7H8_POEFO Loading...

Myomesin 3

AlphaFold DB , UniProt , Accession A0A087X7H8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,165 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
1P44.9Very low72.9Confident120 Ų12075.4 Ų75.478%0.77943%0.433SS*.  0128.7016-32.8000108.9F83 Y85P1-F83 CarbonylContact C-O 3.58Å; P1-F83 VanDerWaalsContact CA-O 3.22Å; P1-F83 WeakPolarHBondContact CA-O 3.32Å; P1-F83 HydrophobicContact CB-CB 4.11Å; P1-Y85 HydrophobicContact CB-CD2 4.16Å; P1-Y85 HydrophobicContact CB-CE2 3.84Å
2T64.5Low74.1Confident52 Ų5270.3 Ų70.332%0.31940%0.403SS..EExtended strand (participates in β ladder)trans-112.2119.9-171.4-53.50000108.8V4 L10 F83 V84 Y85T2-V4 HydrophobicContact CG2-CG2 4.2Å; T2-L10 HydrophobicContact CG2-CD1 3.77Å; T2-F83 PolarHBondContact N-O 2.82Å; T2-V84 CarbonylContact O-C 3.36Å; T2-V84 WeakPolarHBondContact O-CA 3.43Å; T2-Y85 PolarHBondContact O-N 3.31Å
3W65.1Low75.1Confident161 Ų16172.9 Ų72.961%0.6141%0.41SS*.EExtended strand (participates in β ladder)trans-99.8123.3-179.5-63.286.2000109.9Y85W3-Y85 CarbonylContact C-O 3.59Å; W3-Y85 WeakPolarHBondContact CA-O 3.49Å; W3-Y85 HydrophobicContact CD2-CD2 4.47Å; W3-Y85 HydrophobicContact CE3-CG 4.31Å; W3-Y85 HydrophobicContact CH2-CD2 4.28Å; W3-Y85 HydrophobicContact CH2-CG 4.02Å; W3-Y85 HydrophobicContact CZ2-CD2 4.04Å; W3-Y85 HydrophobicContact CZ2-CG 4.24Å; W3-Y85 VanDerWaalsContact CZ3-CB 3.41Å; W3-Y85 HydrophobicContact CZ3-CG 4.06Å
4V72.9Confident75.6Confident11 Ų1169.4 Ų69.47%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-120.8140.4-175.3176.60000109.9T2 S8 L10 V59 V84 Y85 L86 K87T2-V4 HydrophobicContact CG2-CG2 4.2Å; V4-S8 VanDerWaalsContact CG1-OG 3.29Å; V4-S8 WeakPolarHBondContact CG1-OG 3.5Å; V4-L10 HydrophobicContact CG2-CB 4.19Å; V4-L10 HydrophobicContact CG2-CD1 3.77Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L10 HydrophobicContact CG2-CG 4.3Å; V4-V59 HydrophobicContact CB-CG1 4.43Å; V4-V59 HydrophobicContact CG1-CB 3.72Å; V4-V59 HydrophobicContact CG1-CG1 4.12Å; V4-V59 HydrophobicContact CG1-CG2 3.92Å; V4-V84 HydrophobicContact CG2-CG1 4.42Å; V4-Y85 PolarHBondContact N-O 3.38Å; V4-L86 WeakPolarHBondContact O-CA 3.33Å; V4-L86 WeakPolarHBondContact O-CD2 3.39Å; V4-K87 PolarHBondContact O-N 2.84Å
5K70.5Confident76Confident157 Ų15770.5 Ų70.568%0.68340%0.401SS*.  trans-77.6136.1172.8-176.3-178.5176.3-1770108.8G7 S8K5-G7 PolarHBondContact O-N 2.85Å; K5-S8 PolarHBondContact N-OG 3.31Å; K5-S8 WeakPolarHBondContact O-CB 3.41Å; K5-S8 PolarHBondContact O-N 3.1Å; K5-S8 PolarHBondContact O-OG 2.75Å
6E78.1Confident75.9Confident112 Ų11267.5 Ų67.552%0.52338%0.382SS..THydrogen-bonded Turntrans-54.7132178.1-172.1165-154.100111.3V59 Y60 L86E6-V59 CarbonylContact C-O 3.56Å; E6-V59 WeakPolarHBondContact CA-O 3.47Å; E6-Y60 HydrophobicContact CG-CD1 3.82Å; E6-Y60 HydrophobicContact CG-CE1 4.48Å; E6-L86 HydrophobicContact CB-CD1 4.16Å; E6-L86 HydrophobicContact CB-CD2 4.2Å; E6-L86 HydrophobicContact CG-CD1 4.24Å
7G72.9Confident75.2Confident39 Ų3972.1 Ų72.140%0.40241%0.412SS..THydrogen-bonded Turntrans82.21.4-177.200000115.7K5 V59K5-G7 PolarHBondContact O-N 2.85Å; G7-V59 PolarHBondContact N-O 2.73Å
8S77.8Confident74.2Confident45 Ų4572.1 Ų72.132%0.31542%0.417SS..  trans-95.9154.7174.866.30000112.7V4 K5 V59V4-S8 VanDerWaalsContact CG1-OG 3.29Å; V4-S8 WeakPolarHBondContact CG1-OG 3.5Å; K5-S8 PolarHBondContact N-OG 3.31Å; K5-S8 WeakPolarHBondContact O-CB 3.41Å; K5-S8 PolarHBondContact O-N 3.1Å; K5-S8 PolarHBondContact O-OG 2.75Å; S8-V59 PolarHBondContact O-N 2.91Å
9G79.8Confident73Confident49 Ų4977.6 Ų77.651%0.50545%0.445SS..  trans-74.5150.3178.200000112.8M56 M57G9-M56 CarbonylContact C-O 3.5Å; G9-M56 WeakPolarHBondContact CA-O 3.38Å; G9-M57 VanDerWaalsContact CA-O 3.24Å; G9-M57 WeakPolarHBondContact CA-O 3.35Å; G9-M57 PolarHBondContact N-O 3.45Å
10L87.6Confident72Confident13 Ų1380.8 Ų80.87%0.06846%0.46CS..EExtended strand (participates in β ladder)trans-131.3136.3179.8167.365.9000109.3T2 V4 L12 T55 M56 V59 V84T2-L10 HydrophobicContact CG2-CD1 3.77Å; V4-L10 HydrophobicContact CG2-CB 4.19Å; V4-L10 HydrophobicContact CG2-CD1 3.77Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L10 HydrophobicContact CG2-CG 4.3Å; L10-L12 HydrophobicContact CD1-CD2 3.86Å; L10-L12 HydrophobicContact CD1-CG 4.2Å; L10-L12 HydrophobicContact CD2-CD1 4.39Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD2 4.41Å; L10-L12 HydrophobicContact CG-CG 4.2Å; L10-T55 CarbonylContact O-C 3.34Å; L10-T55 WeakPolarHBondContact O-CA 3.47Å; L10-M56 HydrophobicContact CB-CB 4.33Å; L10-M56 PolarHBondContact N-O 2.82Å; L10-M56 PolarHBondContact O-N 3.36Å; L10-V59 HydrophobicContact CB-CG2 3.44Å; L10-V59 VanDerWaalsContact CB-CG2 3.44Å; L10-V59 HydrophobicContact CD2-CG2 4.09Å; L10-V59 HydrophobicContact CG-CG2 4.41Å; L10-V84 HydrophobicContact CD2-CB 4.47Å; L10-V84 HydrophobicContact CD2-CG1 3.74Å; L10-V84 HydrophobicContact CD2-CG2 3.86Å
11S87.9Confident70.9Confident70 Ų7083.4 Ų83.449%0.4947%0.472SS..EExtended strand (participates in β ladder)trans-124.4127.8169.6-167.40000109.8I53 I54 T55S11-I53 VanDerWaalsContact OG-CG2 3.31Å; S11-I53 WeakPolarHBondContact OG-CG2 3.46Å; S11-I54 CarbonylContact C-O 3.59Å; S11-I54 VanDerWaalsContact CA-O 3.23Å; S11-I54 WeakPolarHBondContact CA-O 3.48Å; S11-I54 PolarHBondContact OG-O 2.92Å; S11-T55 PolarHBondContact OG-OG1 3.06Å
12L87.2Confident71.1Confident14 Ų1479.7 Ų79.77%0.07345%0.448CS..EExtended strand (participates in β ladder)trans-116129.5174.3-59.9179.5000108.6L10 W29 I53 I54 Y67 A82 V84L10-L12 HydrophobicContact CD1-CD2 3.86Å; L10-L12 HydrophobicContact CD1-CG 4.2Å; L10-L12 HydrophobicContact CD2-CD1 4.39Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD2 4.41Å; L10-L12 HydrophobicContact CG-CG 4.2Å; L12-W29 HydrophobicContact CB-CH2 4.2Å; L12-W29 HydrophobicContact CB-CZ3 4.27Å; L12-I53 CarbonylContact O-C 3.59Å; L12-I53 WeakPolarHBondContact O-CA 3.28Å; L12-I54 HydrophobicContact CB-CD1 4.25Å; L12-I54 HydrophobicContact CB-CG1 3.73Å; L12-I54 HydrophobicContact CD1-CD1 4.18Å; L12-I54 HydrophobicContact CG-CG1 4.41Å; L12-I54 PolarHBondContact N-O 2.83Å; L12-I54 PolarHBondContact O-N 3.31Å; L12-Y67 HydrophobicContact CD1-CD1 4.33Å; L12-Y67 HydrophobicContact CD1-CD2 4.35Å; L12-Y67 HydrophobicContact CD1-CG 3.94Å; L12-A82 HydrophobicContact CD1-CB 4.23Å; L12-V84 HydrophobicContact CD1-CG2 3.91Å
13Q87.8Confident70.5Confident105 Ų10585.8 Ų85.849%0.49147%0.47SS..EExtended strand (participates in β ladder)trans-118.6133.8-179.8175176.7-45.200109.9T15 K51 S52 I53Q13-T15 PolarHBondContact NE2-OG1 3.19Å; Q13-K51 HydrophobicContact CG-CB 4.43Å; Q13-S52 WeakPolarHBondContact CA-O 3.39Å; Q13-I53 HydrophobicContact CB-CG1 4.03Å; Q13-I53 HydrophobicContact CG-CD1 4.41Å; Q13-I53 HydrophobicContact CG-CG1 3.8Å
14C82.2Confident69.7Low24 Ų2486 Ų8616%0.16248%0.478CS..EExtended strand (participates in β ladder)trans-113.9123.9167.7-179.10000108.2W29 K51 S52 A69C14-W29 HydrophobicContact CB-CH2 3.78Å; C14-W29 HydrophobicContact CB-CZ2 3.58Å; C14-K51 CarbonylContact O-C 3.53Å; C14-K51 WeakPolarHBondContact O-CA 3.25Å; C14-K51 WeakPolarHBondContact O-CB 3.43Å; C14-S52 PolarHBondContact N-O 3.05Å; C14-S52 PolarHBondContact O-N 3.03Å; C14-A69 HydrophobicContact CB-CB 3.83Å
15T80.4Confident68.8Low86 Ų8693.8 Ų93.853%0.52851%0.514SS..EExtended strand (participates in β ladder)trans-107.3137.6177.1-490000108.1Q13 N50 K51Q13-T15 PolarHBondContact NE2-OG1 3.19Å; T15-N50 CarbonylContact C-O 3.58Å; T15-N50 WeakPolarHBondContact CA-O 3.49Å; T15-N50 WeakPolarHBondContact CG2-O 3.5Å; T15-K51 HydrophobicContact CG2-CB 4.41Å
16F74.9Confident68.5Low22 Ų2289.3 Ų89.310%0.09650%0.497CS..  trans-136.3150.7179.947.6-95.2000110.7P22 V27 T47 F48 D49 N50 L71F16-P22 HydrophobicContact CE2-CG 4.17Å; F16-V27 HydrophobicContact CD1-CG2 4.47Å; F16-V27 HydrophobicContact CE1-CG2 3.75Å; F16-V27 HydrophobicContact CZ-CG2 3.91Å; F16-T47 HydrophobicContact CZ-CG2 4.45Å; F16-F48 WeakPolarHBondContact CZ-O 3.41Å; F16-D49 WeakPolarHBondContact CE2-O 3.44Å; F16-N50 PolarHBondContact N-O 3.25Å; F16-N50 CarbonylContact O-C 3.53Å; F16-N50 WeakPolarHBondContact O-CA 3.38Å; F16-N50 VanDerWaalsContact O-O 3.11Å; F16-L71 HydrophobicContact CB-CD2 4.37Å
17T63.7Low68.3Low145 Ų14584.9 Ų84.989%0.8948%0.478SS*.  trans-119.5121.3-179.943.40000108.9
18S56.8Low68.9Low73 Ų7386.4 Ų86.451%0.5148%0.476SS..  trans-138.2139177.9177.10000110.2L20S18-L20 VanDerWaalsContact C-N 3.26Å; S18-L20 WeakPolarHBondContact CB-O 3.23Å; S18-L20 PolarHBondContact OG-N 2.95Å; S18-L20 PolarHBondContact OG-O 3.15Å
19D52.5Low69.4Low176 Ų17684.8 Ų84.894%0.94146%0.463SS*.SBendtrans-78.5-10.4174.4-67.9-27.2000113
20L52Low69.6Low142 Ų14283.6 Ų83.674%0.74344%0.444SS*.SBendtrans-121.2122.7174.3-74.6162.8000108.6S18 P22S18-L20 VanDerWaalsContact C-N 3.26Å; S18-L20 WeakPolarHBondContact CB-O 3.23Å; S18-L20 PolarHBondContact OG-N 2.95Å; S18-L20 PolarHBondContact OG-O 3.15Å; L20-P22 WeakPolarHBondContact O-CD 3.37Å
21L50.6Low69.5Low136 Ų13685.2 Ų85.271%0.71245%0.449SS*.  trans-55109.6176.9-79.1159.4000109.6D49L21-D49 HydrophobicContact CD2-CB 4.13Å
22P47.5Very low68.7Low42 Ų4285.4 Ų85.427%0.27345%0.445SS..  trans-71.4135.8176.227.7-27.2000108.4F16 L20F16-P22 HydrophobicContact CE2-CG 4.17Å; L20-P22 WeakPolarHBondContact O-CD 3.37Å
23F52.7Low67.9Low179 Ų17986.4 Ų86.479%0.78546%0.458SS*.  trans-60147.2172-75.9-89.7000108.8Q25 D26F23-Q25 PolarHBondContact O-N 2.8Å; F23-D26 PolarHBondContact O-N 3.48Å
24Q48.8Very low67.2Low167 Ų16786.1 Ų86.178%0.7847%0.467SS*.THydrogen-bonded Turntrans-57.35.8-170.7-137.1174.74.300116.1
25Q52.6Low66.9Low174 Ų17488.5 Ų88.581%0.81348%0.477SS*.THydrogen-bonded Turntrans-112.64.2-172.6-68.1-167.1-8.700116F23F23-Q25 PolarHBondContact O-N 2.8Å
26D64.3Low67.2Low62 Ų6288.5 Ų88.533%0.33247%0.471SS..SBendtrans-104.10.8-169.3-69.7-37.8000116.8F23 R72F23-D26 PolarHBondContact O-N 3.48Å; D26-R72 WeakPolarHBondContact CB-O 3.44Å; D26-R72 PolarHBondContact O-N 3.38Å
27V74.1Confident67.6Low20 Ų2088.5 Ų88.512%0.12147%0.472CS..EExtended strand (participates in β ladder)trans-109.9115175.5-175.30000110.8F16 T47 R70 L71F16-V27 HydrophobicContact CD1-CG2 4.47Å; F16-V27 HydrophobicContact CE1-CG2 3.75Å; F16-V27 HydrophobicContact CZ-CG2 3.91Å; V27-T47 HydrophobicContact CB-CG2 4.41Å; V27-T47 HydrophobicContact CG2-CG2 4.43Å; V27-R70 WeakPolarHBondContact CA-O 3.29Å; V27-L71 HydrophobicContact CG2-CD1 3.43Å; V27-L71 VanDerWaalsContact CG2-CD1 3.43Å
28L84.9Confident68.6Low71 Ų7188.5 Ų88.537%0.37246%0.462SS..EExtended strand (participates in β ladder)trans-118.5137.2-179.9-63.1177.6000110.8F30 Q36 R70L28-F30 HydrophobicContact CB-CD2 4.43Å; L28-F30 HydrophobicContact CB-CE2 3.65Å; L28-F30 HydrophobicContact CB-CZ 4.34Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; L28-F30 HydrophobicContact CD1-CZ 4.46Å; L28-Q36 VanDerWaalsContact CD2-NE2 3.26Å; L28-R70 PolarHBondContact N-O 3.42Å; L28-R70 PolarHBondContact O-N 2.78Å
29W88.3Confident69.9Low10 Ų1090.4 Ų90.44%0.03846%0.463CS..EExtended strand (participates in β ladder)trans-99.5139.4175.4-72.183.9000111.1L12 C14 Q36 L37 S52 I54 S68 A69L12-W29 HydrophobicContact CB-CH2 4.2Å; L12-W29 HydrophobicContact CB-CZ3 4.27Å; C14-W29 HydrophobicContact CB-CH2 3.78Å; C14-W29 HydrophobicContact CB-CZ2 3.58Å; W29-Q36 CarbonylContact O-C 3.47Å; W29-Q36 WeakPolarHBondContact O-CA 2.99Å; W29-L37 HydrophobicContact CB-CB 4.2Å; W29-L37 HydrophobicContact CB-CD1 4.15Å; W29-L37 PolarHBondContact O-N 2.99Å; W29-S52 PolarHBondContact NE1-OG 3.27Å; W29-I54 HydrophobicContact CB-CG2 4.17Å; W29-I54 VanDerWaalsContact CD1-CG2 3.48Å; W29-I54 HydrophobicContact CD2-CD1 4.17Å; W29-I54 HydrophobicContact CD2-CG1 4.37Å; W29-I54 HydrophobicContact CD2-CG2 3.58Å; W29-I54 HydrophobicContact CE3-CD1 3.82Å; W29-I54 HydrophobicContact CE3-CG1 4.28Å; W29-I54 HydrophobicContact CE3-CG2 4.29Å; W29-I54 HydrophobicContact CG-CG2 3.49Å; W29-I54 VanDerWaalsContact CG-CG2 3.49Å; W29-I54 HydrophobicContact CZ2-CG2 4.33Å; W29-I54 HydrophobicContact CZ3-CD1 4.2Å; W29-I54 HydrophobicContact CZ3-CG1 4.37Å; W29-S68 CarbonylContact C-O 3.59Å; W29-S68 VanDerWaalsContact CA-O 3.29Å; W29-S68 WeakPolarHBondContact CA-O 3.34Å; W29-A69 HydrophobicContact CD2-CB 3.95Å; W29-A69 HydrophobicContact CE3-CB 3.94Å; W29-A69 HydrophobicContact CH2-CB 3.89Å; W29-A69 HydrophobicContact CZ2-CB 3.87Å; W29-A69 HydrophobicContact CZ3-CB 3.91Å
30F84.1Confident71.4Confident24 Ų2484.9 Ų84.911%0.10544%0.438CS..EExtended strand (participates in β ladder)trans-126.9157.4176.8-66.4-99.5000110.8L28 I35 Q36 Y67 S68 R70L28-F30 HydrophobicContact CB-CD2 4.43Å; L28-F30 HydrophobicContact CB-CE2 3.65Å; L28-F30 HydrophobicContact CB-CZ 4.34Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; L28-F30 HydrophobicContact CD1-CZ 4.46Å; F30-I35 CarbonylContact C-O 3.54Å; F30-I35 WeakPolarHBondContact CA-O 3.43Å; F30-Q36 HydrophobicContact CD1-CB 3.81Å; F30-Q36 HydrophobicContact CD1-CG 4.27Å; F30-Q36 HydrophobicContact CE1-CB 3.51Å; F30-Q36 HydrophobicContact CE1-CG 3.83Å; F30-Q36 HydrophobicContact CE2-CG 4.34Å; F30-Q36 HydrophobicContact CZ-CB 4.07Å; F30-Q36 HydrophobicContact CZ-CG 3.84Å; F30-Y67 CarbonylContact O-C 3.59Å; F30-Y67 VanDerWaalsContact O-CA 3.28Å; F30-Y67 WeakPolarHBondContact O-CA 3.46Å; F30-S68 PolarHBondContact N-O 3.04Å; F30-S68 PolarHBondContact O-N 2.74Å; F30-R70 HydrophobicContact CD2-CB 4.33Å; F30-R70 HydrophobicContact CD2-CG 3.91Å; F30-R70 HydrophobicContact CE2-CB 4.18Å; F30-R70 HydrophobicContact CE2-CG 4.1Å
31R85.6Confident72.7Confident47 Ų4784.2 Ų84.218%0.17745%0.445CS..EExtended strand (participates in β ladder)trans-121.1137.3166.8-163.3-170.471.3-165.24.5109.6G33 C34 I35 L37 E62 V66 Y67R31-G33 PolarHBondContact O-N 2.78Å; R31-G33 VanDerWaalsContact O-N 3.12Å; R31-C34 PolarHBondContact O-N 3.46Å; R31-I35 HydrophobicContact CB-CB 4.35Å; R31-I35 PolarHBondContact N-O 2.66Å; R31-I35 WeakPolarHBondContact O-CB 3.42Å; R31-I35 PolarHBondContact O-N 3.09Å; R31-L37 HydrophobicContact CB-CD2 4.31Å; R31-E62 PolarHBondContact NH1-O 3.4Å; R31-E62 PolarHBondContact NH2-O 2.66Å; R31-V66 CarbonylContact C-O 3.46Å; R31-V66 WeakPolarHBondContact CA-O 3.44Å; R31-Y67 HydrophobicContact CB-CD1 4.4Å; R31-Y67 HydrophobicContact CB-CE1 4.25Å; R31-Y67 WeakPolarHBondContact CD-OH 3.37Å; R31-Y67 HydrophobicContact CG-CD1 4.31Å; R31-Y67 HydrophobicContact CG-CD2 4.28Å; R31-Y67 HydrophobicContact CG-CE1 3.99Å; R31-Y67 HydrophobicContact CG-CE2 3.95Å; R31-Y67 HydrophobicContact CG-CG 4.44Å
32D72.7Confident74.2Confident74 Ų7479.3 Ų79.340%0.39642%0.42SS..THydrogen-bonded Turntrans52.131.1-177.7-51.5-50.4000113C34 G65 V66D32-C34 PolarHBondContact O-N 3.38Å; D32-C34 VanDerWaalsContact O-N 3.11Å; D32-G65 WeakPolarHBondContact OD1-CA 3.39Å; D32-V66 PolarHBondContact N-O 2.83Å; D32-V66 PolarHBondContact OD1-N 3.36Å
33G69.9Low76.1Confident35 Ų3577.9 Ų77.936%0.36141%0.41SS..THydrogen-bonded Turntrans74-11.4177.600000116R31 R70R31-G33 PolarHBondContact O-N 2.78Å; R31-G33 VanDerWaalsContact O-N 3.12Å; G33-R70 PolarHBondContact O-NH1 3.25Å; G33-R70 PolarHBondContact O-NH2 3.02Å
34C71.7Confident77.8Confident99 Ų9970.8 Ų70.867%0.66938%0.381SS*.THydrogen-bonded Turntrans-127.7-20.8-171.959.70000115.1R31 D32R31-C34 PolarHBondContact O-N 3.46Å; D32-C34 PolarHBondContact O-N 3.38Å; D32-C34 VanDerWaalsContact O-N 3.11Å
35I76.3Confident79.6Confident74 Ų7464.8 Ų64.838%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-98.3102.5-176.3-57170.8000109.1F30 R31 L37F30-I35 CarbonylContact C-O 3.54Å; F30-I35 WeakPolarHBondContact CA-O 3.43Å; R31-I35 HydrophobicContact CB-CB 4.35Å; R31-I35 PolarHBondContact N-O 2.66Å; R31-I35 WeakPolarHBondContact O-CB 3.42Å; R31-I35 PolarHBondContact O-N 3.09Å; I35-L37 PolarHBondContact O-N 3.03Å
36Q86.7Confident81.1Confident86 Ų8661.7 Ų61.740%0.40234%0.337SS..EExtended strand (participates in β ladder)trans-70125175.4-166.6177.6-22.700110.6L28 W29 F30L28-Q36 VanDerWaalsContact CD2-NE2 3.26Å; W29-Q36 CarbonylContact O-C 3.47Å; W29-Q36 WeakPolarHBondContact O-CA 2.99Å; F30-Q36 HydrophobicContact CD1-CB 3.81Å; F30-Q36 HydrophobicContact CD1-CG 4.27Å; F30-Q36 HydrophobicContact CE1-CB 3.51Å; F30-Q36 HydrophobicContact CE1-CG 3.83Å; F30-Q36 HydrophobicContact CE2-CG 4.34Å; F30-Q36 HydrophobicContact CZ-CB 4.07Å; F30-Q36 HydrophobicContact CZ-CG 3.84Å
37L84.5Confident81.9Confident22 Ų2260.5 Ų60.512%0.11533%0.332CS..  trans-79.7136.8178.2-61.8175.7000110.3W29 R31 I35 I45 I54 Y67W29-L37 HydrophobicContact CB-CB 4.2Å; W29-L37 HydrophobicContact CB-CD1 4.15Å; W29-L37 PolarHBondContact O-N 2.99Å; R31-L37 HydrophobicContact CB-CD2 4.31Å; I35-L37 PolarHBondContact O-N 3.03Å; L37-I45 HydrophobicContact CB-CD1 4.25Å; L37-I54 HydrophobicContact CD1-CD1 4Å; L37-Y67 HydrophobicContact CD1-CD1 3.58Å; L37-Y67 HydrophobicContact CD1-CE1 3.59Å
38Q83.8Confident82.2Confident146 Ų14664.1 Ų64.168%0.68235%0.347SS*.  trans-127.8157.4178.3-64.4-172.3-18.300110.2S40Q38-S40 PolarHBondContact O-N 2.8Å
39Q85.1Confident81.6Confident113 Ų11366.6 Ų66.653%0.52836%0.36SS..  trans-54.5128.4175.3-16975.718.400110.3D44Q39-D44 PolarHBondContact NE2-OD1 3.34Å
40S83.4Confident80.9Confident60 Ų6070.3 Ų70.342%0.4238%0.381SS..  trans-147.6-179.9178.968.10000111.3Q38 N42 V43Q38-S40 PolarHBondContact O-N 2.8Å; S40-N42 PolarHBondContact O-N 3.33Å; S40-N42 PolarHBondContact OG-N 2.86Å; S40-V43 PolarHBondContact N-O 2.82Å; S40-V43 PolarHBondContact O-N 2.87Å; S40-V43 VanDerWaalsContact O-O 3.08Å; S40-V43 WeakPolarHBondContact OG-CB 3.36Å; S40-V43 PolarHBondContact OG-N 3.24Å; S40-V43 VanDerWaalsContact OG-N 3.08Å
41S78.4Confident80.8Confident128 Ų12872.3 Ų72.390%0.89539%0.389SS*.SBendtrans-64.7-25.3175.652.70000113.6
42N83.7Confident80.7Confident32 Ų3270 Ų7017%0.17138%0.381CS..SBendtrans-102.7-16.1178.2-164.833.3000113.3S40 M56 M57 A58 H63S40-N42 PolarHBondContact O-N 3.33Å; S40-N42 PolarHBondContact OG-N 2.86Å; N42-M56 CarbonylContact O-C 3.44Å; N42-M56 WeakPolarHBondContact O-CA 3.48Å; N42-M57 PolarHBondContact O-N 2.87Å; N42-M57 PolarHBondContact OD1-N 2.8Å; N42-A58 PolarHBondContact ND2-O 2.89Å; N42-A58 PolarHBondContact OD1-N 2.83Å; N42-A58 PolarHBondContact OD1-O 3.11Å; N42-H63 PolarHBondContact ND2-NE2 2.61Å
43V85.9Confident81.4Confident12 Ų1267.9 Ų67.97%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-127.5115.9-174.8-171.20000110.6S40 I45 T55 M56S40-V43 PolarHBondContact N-O 2.82Å; S40-V43 PolarHBondContact O-N 2.87Å; S40-V43 VanDerWaalsContact O-O 3.08Å; S40-V43 WeakPolarHBondContact OG-CB 3.36Å; S40-V43 PolarHBondContact OG-N 3.24Å; S40-V43 VanDerWaalsContact OG-N 3.08Å; V43-I45 HydrophobicContact CG1-CG1 4.14Å; V43-T55 WeakPolarHBondContact CA-O 3.26Å; V43-M56 HydrophobicContact CG1-CE 4.44Å; V43-M56 HydrophobicContact CG1-CG 4.49Å; V43-M56 HydrophobicContact CG2-CE 3.75Å; V43-M56 HydrophobicContact CG2-CG 4.14Å
44D88.3Confident82.4Confident31 Ų3166.3 Ų66.317%0.16635%0.352CS..EExtended strand (participates in β ladder)trans-106.5124.5174.8-175.939.3000110.6Q39 K46 I54 T55Q39-D44 PolarHBondContact NE2-OD1 3.34Å; D44-K46 WeakPolarHBondContact OD2-CE 3.36Å; D44-K46 IonicContact OD2-NZ 2.69Å; D44-K46 PolarHBondContact OD2-NZ 2.87Å; D44-I54 CarbonylContact O-C 3.46Å; D44-I54 WeakPolarHBondContact O-CA 3.46Å; D44-T55 PolarHBondContact N-O 2.79Å; D44-T55 PolarHBondContact O-N 2.94Å
45I88Confident83.2Confident40 Ų4063.6 Ų63.621%0.20533%0.333CS..EExtended strand (participates in β ladder)trans-116.9119.6-178.4-51.5-174.9000109.1L37 V43 I53 I54L37-I45 HydrophobicContact CB-CD1 4.25Å; V43-I45 HydrophobicContact CG1-CG1 4.14Å; I45-I53 WeakPolarHBondContact CA-O 3.25Å; I45-I54 HydrophobicContact CB-CG2 4.32Å; I45-I54 HydrophobicContact CD1-CG2 4.21Å; I45-I54 HydrophobicContact CG1-CB 4.47Å; I45-I54 HydrophobicContact CG1-CG2 3.82Å; I45-I54 HydrophobicContact CG2-CG2 4.01Å
46K84.1Confident83.7Confident109 Ų10960.2 Ų60.247%0.47432%0.316SS..EExtended strand (participates in β ladder)trans-123.3119.4178.8-70.1178.3178.21430110.8D44 F48 S52 I53D44-K46 WeakPolarHBondContact OD2-CE 3.36Å; D44-K46 IonicContact OD2-NZ 2.69Å; D44-K46 PolarHBondContact OD2-NZ 2.87Å; K46-F48 HydrophobicContact CB-CE2 3.81Å; K46-F48 HydrophobicContact CB-CZ 4.09Å; K46-S52 CarbonylContact O-C 3.5Å; K46-S52 WeakPolarHBondContact O-CA 3.44Å; K46-I53 PolarHBondContact N-O 2.78Å; K46-I53 PolarHBondContact O-N 3.43Å
47T81.1Confident83.6Confident38 Ų3861.9 Ų61.923%0.23333%0.325CS..EExtended strand (participates in β ladder)trans-112.1131.7177.8-56.80000110.4F16 V27 S52F16-T47 HydrophobicContact CZ-CG2 4.45Å; V27-T47 HydrophobicContact CB-CG2 4.41Å; V27-T47 HydrophobicContact CG2-CG2 4.43Å; T47-S52 PolarHBondContact OG1-OG 2.79Å
48F79.9Confident83.4Confident96 Ų9661.6 Ų61.642%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-123.7168.5179.3-53.2-88.7000109.2F16 K46 N50 K51 I53F16-F48 WeakPolarHBondContact CZ-O 3.41Å; K46-F48 HydrophobicContact CB-CE2 3.81Å; K46-F48 HydrophobicContact CB-CZ 4.09Å; F48-N50 PolarHBondContact O-N 3.31Å; F48-K51 CarbonylContact C-O 3.48Å; F48-K51 WeakPolarHBondContact CA-O 3.5Å; F48-K51 HydrophobicContact CB-CG 4.06Å; F48-K51 HydrophobicContact CD2-CG 3.87Å; F48-K51 HydrophobicContact CG-CG 4.34Å; F48-K51 PolarHBondContact N-O 3.35Å; F48-K51 PolarHBondContact O-N 2.65Å; F48-K51 VanDerWaalsContact O-O 3.05Å; F48-I53 HydrophobicContact CE2-CD1 4.11Å
49D71.8Confident83.4Confident123 Ų12354.6 Ų54.666%0.65829%0.293SS*.THydrogen-bonded Turntrans-58.2-24.8-172.3-58.2-16000114.7F16 L21F16-D49 WeakPolarHBondContact CE2-O 3.44Å; L21-D49 HydrophobicContact CD2-CB 4.13Å
50N73.9Confident83.2Confident88 Ų8854.1 Ų54.147%0.47129%0.287SS..THydrogen-bonded Turntrans-124.93.4179.670.6-15.8000114.4T15 F16 F48T15-N50 CarbonylContact C-O 3.58Å; T15-N50 WeakPolarHBondContact CA-O 3.49Å; T15-N50 WeakPolarHBondContact CG2-O 3.5Å; F16-N50 PolarHBondContact N-O 3.25Å; F16-N50 CarbonylContact O-C 3.53Å; F16-N50 WeakPolarHBondContact O-CA 3.38Å; F16-N50 VanDerWaalsContact O-O 3.11Å; F48-N50 PolarHBondContact O-N 3.31Å
51K81.2Confident82.9Confident65 Ų6558.7 Ų58.728%0.28330%0.299SS..EExtended strand (participates in β ladder)trans-162.1150.1-177.764.4-173.7179.5177.50113.3Q13 C14 T15 F48 I53Q13-K51 HydrophobicContact CG-CB 4.43Å; C14-K51 CarbonylContact O-C 3.53Å; C14-K51 WeakPolarHBondContact O-CA 3.25Å; C14-K51 WeakPolarHBondContact O-CB 3.43Å; T15-K51 HydrophobicContact CG2-CB 4.41Å; F48-K51 CarbonylContact C-O 3.48Å; F48-K51 WeakPolarHBondContact CA-O 3.5Å; F48-K51 HydrophobicContact CB-CG 4.06Å; F48-K51 HydrophobicContact CD2-CG 3.87Å; F48-K51 HydrophobicContact CG-CG 4.34Å; F48-K51 PolarHBondContact N-O 3.35Å; F48-K51 PolarHBondContact O-N 2.65Å; F48-K51 VanDerWaalsContact O-O 3.05Å; K51-I53 HydrophobicContact CD-CD1 4.22Å
52S85.2Confident82.8Confident0 Ų059 Ų590%029%0.286CS..EExtended strand (participates in β ladder)trans-120.3137.1166.6-172.20000109.8Q13 C14 W29 K46 T47Q13-S52 WeakPolarHBondContact CA-O 3.39Å; C14-S52 PolarHBondContact N-O 3.05Å; C14-S52 PolarHBondContact O-N 3.03Å; W29-S52 PolarHBondContact NE1-OG 3.27Å; K46-S52 CarbonylContact O-C 3.5Å; K46-S52 WeakPolarHBondContact O-CA 3.44Å; T47-S52 PolarHBondContact OG1-OG 2.79Å
53I87Confident82.8Confident28 Ų2858.6 Ų58.614%0.14428%0.283CS..EExtended strand (participates in β ladder)trans-126.7125.5-176.2-54.7175.5000108.3S11 L12 Q13 I45 K46 F48 K51S11-I53 VanDerWaalsContact OG-CG2 3.31Å; S11-I53 WeakPolarHBondContact OG-CG2 3.46Å; L12-I53 CarbonylContact O-C 3.59Å; L12-I53 WeakPolarHBondContact O-CA 3.28Å; Q13-I53 HydrophobicContact CB-CG1 4.03Å; Q13-I53 HydrophobicContact CG-CD1 4.41Å; Q13-I53 HydrophobicContact CG-CG1 3.8Å; I45-I53 WeakPolarHBondContact CA-O 3.25Å; K46-I53 PolarHBondContact N-O 2.78Å; K46-I53 PolarHBondContact O-N 3.43Å; F48-I53 HydrophobicContact CE2-CD1 4.11Å; K51-I53 HydrophobicContact CD-CD1 4.22Å
54I90.1Very high82.4Confident2 Ų261.1 Ų61.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-102.7135.4165.767.1170.8000109.6S11 L12 W29 L37 D44 I45 Y67S11-I54 CarbonylContact C-O 3.59Å; S11-I54 VanDerWaalsContact CA-O 3.23Å; S11-I54 WeakPolarHBondContact CA-O 3.48Å; S11-I54 PolarHBondContact OG-O 2.92Å; L12-I54 HydrophobicContact CB-CD1 4.25Å; L12-I54 HydrophobicContact CB-CG1 3.73Å; L12-I54 HydrophobicContact CD1-CD1 4.18Å; L12-I54 HydrophobicContact CG-CG1 4.41Å; L12-I54 PolarHBondContact N-O 2.83Å; L12-I54 PolarHBondContact O-N 3.31Å; W29-I54 HydrophobicContact CB-CG2 4.17Å; W29-I54 VanDerWaalsContact CD1-CG2 3.48Å; W29-I54 HydrophobicContact CD2-CD1 4.17Å; W29-I54 HydrophobicContact CD2-CG1 4.37Å; W29-I54 HydrophobicContact CD2-CG2 3.58Å; W29-I54 HydrophobicContact CE3-CD1 3.82Å; W29-I54 HydrophobicContact CE3-CG1 4.28Å; W29-I54 HydrophobicContact CE3-CG2 4.29Å; W29-I54 HydrophobicContact CG-CG2 3.49Å; W29-I54 VanDerWaalsContact CG-CG2 3.49Å; W29-I54 HydrophobicContact CZ2-CG2 4.33Å; W29-I54 HydrophobicContact CZ3-CD1 4.2Å; W29-I54 HydrophobicContact CZ3-CG1 4.37Å; L37-I54 HydrophobicContact CD1-CD1 4Å; D44-I54 CarbonylContact O-C 3.46Å; D44-I54 WeakPolarHBondContact O-CA 3.46Å; I45-I54 HydrophobicContact CB-CG2 4.32Å; I45-I54 HydrophobicContact CD1-CG2 4.21Å; I45-I54 HydrophobicContact CG1-CB 4.47Å; I45-I54 HydrophobicContact CG1-CG2 3.82Å; I45-I54 HydrophobicContact CG2-CG2 4.01Å; I54-Y67 HydrophobicContact CD1-CD1 3.94Å; I54-Y67 HydrophobicContact CD1-CE1 4.4Å
55T88Confident81.8Confident42 Ų4260.3 Ų60.326%0.25829%0.293SS..EExtended strand (participates in β ladder)trans-126.4117.2177.9-53.20000109.1L10 S11 V43 D44L10-T55 CarbonylContact O-C 3.34Å; L10-T55 WeakPolarHBondContact O-CA 3.47Å; S11-T55 PolarHBondContact OG-OG1 3.06Å; V43-T55 WeakPolarHBondContact CA-O 3.26Å; D44-T55 PolarHBondContact N-O 2.79Å; D44-T55 PolarHBondContact O-N 2.94Å
56M88.3Confident81.3Confident4 Ų460.2 Ų60.22%0.0230%0.295CS..EExtended strand (participates in β ladder)trans-96.1128.4171.5-65.9-173.7156.300110G9 L10 N42 V43 V59 H63 Y67G9-M56 CarbonylContact C-O 3.5Å; G9-M56 WeakPolarHBondContact CA-O 3.38Å; L10-M56 HydrophobicContact CB-CB 4.33Å; L10-M56 PolarHBondContact N-O 2.82Å; L10-M56 PolarHBondContact O-N 3.36Å; N42-M56 CarbonylContact O-C 3.44Å; N42-M56 WeakPolarHBondContact O-CA 3.48Å; V43-M56 HydrophobicContact CG1-CE 4.44Å; V43-M56 HydrophobicContact CG1-CG 4.49Å; V43-M56 HydrophobicContact CG2-CE 3.75Å; V43-M56 HydrophobicContact CG2-CG 4.14Å; M56-V59 HydrophobicContact CB-CG2 4.09Å; M56-V59 HydrophobicContact SD-CG2 4.35Å; M56-H63 HydrophobicContact SD-CB 4.48Å; M56-Y67 HydrophobicContact CE-CE1 3.69Å; M56-Y67 WeakPolarHBondContact CE-OH 3.28Å; M56-Y67 HydrophobicContact SD-CE1 4.46Å
57M84.8Confident81.5Confident121 Ų12155 Ų5560%0.59627%0.272SS*.SBendtrans-74.7-37.1-176.9-63.5-63.6-179.500112G9 N42G9-M57 VanDerWaalsContact CA-O 3.24Å; G9-M57 WeakPolarHBondContact CA-O 3.35Å; G9-M57 PolarHBondContact N-O 3.45Å; N42-M57 PolarHBondContact O-N 2.87Å; N42-M57 PolarHBondContact OD1-N 2.8Å
58A80.6Confident81.6Confident15 Ų1553.3 Ų53.312%0.12426%0.262CS..SBendtrans-145.7128.8173.100000111.4N42 Y60N42-A58 PolarHBondContact ND2-O 2.89Å; N42-A58 PolarHBondContact OD1-N 2.83Å; N42-A58 PolarHBondContact OD1-O 3.11Å; A58-Y60 HydrophobicContact CB-CE2 3.77Å
59V82.4Confident81.9Confident0 Ų049 Ų490%024%0.244CC..  trans-99.9126.3180-178.10000110.5V4 E6 G7 S8 L10 M56 H63 L86V4-V59 HydrophobicContact CB-CG1 4.43Å; V4-V59 HydrophobicContact CG1-CB 3.72Å; V4-V59 HydrophobicContact CG1-CG1 4.12Å; V4-V59 HydrophobicContact CG1-CG2 3.92Å; E6-V59 CarbonylContact C-O 3.56Å; E6-V59 WeakPolarHBondContact CA-O 3.47Å; G7-V59 PolarHBondContact N-O 2.73Å; S8-V59 PolarHBondContact O-N 2.91Å; L10-V59 HydrophobicContact CB-CG2 3.44Å; L10-V59 VanDerWaalsContact CB-CG2 3.44Å; L10-V59 HydrophobicContact CD2-CG2 4.09Å; L10-V59 HydrophobicContact CG-CG2 4.41Å; M56-V59 HydrophobicContact CB-CG2 4.09Å; M56-V59 HydrophobicContact SD-CG2 4.35Å; V59-H63 HydrophobicContact CG1-CB 3.83Å; V59-L86 HydrophobicContact CG1-CD2 3.97Å
60Y82.3Confident82.6Confident103 Ų10346 Ų4640%0.40422%0.223SC..  trans-120.2174.8176.7-59.3-74.3000111.2E6 A58 E62 H63E6-Y60 HydrophobicContact CG-CD1 3.82Å; E6-Y60 HydrophobicContact CG-CE1 4.48Å; A58-Y60 HydrophobicContact CB-CE2 3.77Å; Y60-E62 PolarHBondContact O-N 2.79Å; Y60-E62 VanDerWaalsContact O-N 3.11Å; Y60-H63 AromaticContact CD2-CE1 4Å; Y60-H63 PolarHBondContact N-ND1 3.12Å; Y60-H63 VanDerWaalsContact N-ND1 3.19Å; Y60-H63 WeakPolarHBondContact O-CA 3.42Å; Y60-H63 VanDerWaalsContact O-CB 3.28Å; Y60-H63 WeakPolarHBondContact O-CB 3.35Å; Y60-H63 PolarHBondContact O-N 3.49Å
61K76.6Confident82.8Confident155 Ų15543.6 Ų43.667%0.67421%0.21SC*.G310 helixtrans-57.3-32.2-172.9-169.7166-174.9166.80114.4H63 E64 L86K61-H63 PolarHBondContact O-N 2.88Å; K61-E64 WeakPolarHBondContact O-CB 3.46Å; K61-E64 PolarHBondContact O-N 3.47Å; K61-L86 HydrophobicContact CB-CD1 3.86Å; K61-L86 HydrophobicContact CG-CD1 4.44Å; K61-L86 VanDerWaalsContact N-CD1 3.32Å
62E75.1Confident82.3Confident134 Ų13448.7 Ų48.763%0.62623%0.227SC*.G310 helixtrans-70.1-10.9174.467-163.2-173.400114.7R31 Y60R31-E62 PolarHBondContact NH1-O 3.4Å; R31-E62 PolarHBondContact NH2-O 2.66Å; Y60-E62 PolarHBondContact O-N 2.79Å; Y60-E62 VanDerWaalsContact O-N 3.11Å
63H83.9Confident81.3Confident24 Ų2451.9 Ų51.911%0.11125%0.247CC..G310 helixtrans-99.9-4.7177.9-56.394.8000112.5N42 M56 V59 Y60 K61 Y67N42-H63 PolarHBondContact ND2-NE2 2.61Å; M56-H63 HydrophobicContact SD-CB 4.48Å; V59-H63 HydrophobicContact CG1-CB 3.83Å; Y60-H63 AromaticContact CD2-CE1 4Å; Y60-H63 PolarHBondContact N-ND1 3.12Å; Y60-H63 VanDerWaalsContact N-ND1 3.19Å; Y60-H63 WeakPolarHBondContact O-CA 3.42Å; Y60-H63 VanDerWaalsContact O-CB 3.28Å; Y60-H63 WeakPolarHBondContact O-CB 3.35Å; Y60-H63 PolarHBondContact O-N 3.49Å; K61-H63 PolarHBondContact O-N 2.88Å; H63-Y67 WeakPolarHBondContact O-CE2 3.5Å; H63-Y67 PolarHBondContact O-OH 2.88Å
64E78.9Confident79.9Confident65 Ų6562.2 Ų62.230%0.30428%0.284SS..  trans-66.8138167.8175.8160.6-14000109.8K61 V84 Y85 L86K61-E64 WeakPolarHBondContact O-CB 3.46Å; K61-E64 PolarHBondContact O-N 3.47Å; E64-V84 WeakPolarHBondContact CG-O 3.05Å; E64-Y85 HydrophobicContact CG-CD1 4.41Å; E64-Y85 VanDerWaalsContact OE1-CA 3.32Å; E64-Y85 WeakPolarHBondContact OE1-CA 3.1Å; E64-Y85 WeakPolarHBondContact OE1-CD1 3.35Å; E64-L86 PolarHBondContact OE1-N 3.12Å; E64-L86 VanDerWaalsContact OE1-N 3.13Å
65G74.9Confident78.2Confident14 Ų1469.7 Ų69.714%0.14432%0.324CS..EExtended strand (participates in β ladder)trans153.4-176.8-175.100000114.1D32 V84D32-G65 WeakPolarHBondContact OD1-CA 3.39Å; G65-V84 PolarHBondContact N-O 3.48Å; G65-V84 PolarHBondContact O-N 2.89Å
66V77.6Confident76.9Confident39 Ų3969.3 Ų69.324%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-97113.1-179.4-169.40000109.5R31 D32 L81 F83R31-V66 CarbonylContact C-O 3.46Å; R31-V66 WeakPolarHBondContact CA-O 3.44Å; D32-V66 PolarHBondContact N-O 2.83Å; D32-V66 PolarHBondContact OD1-N 3.36Å; V66-L81 HydrophobicContact CG1-CB 4.27Å; V66-L81 HydrophobicContact CG1-CD2 4.37Å; V66-F83 HydrophobicContact CB-CD1 4.22Å; V66-F83 HydrophobicContact CB-CE1 4.27Å; V66-F83 HydrophobicContact CG1-CD1 3.9Å; V66-F83 HydrophobicContact CG1-CE1 3.71Å; V66-F83 HydrophobicContact CG1-CE2 4.48Å; V66-F83 HydrophobicContact CG1-CG 4.34Å; V66-F83 HydrophobicContact CG1-CZ 4.02Å; V66-F83 HydrophobicContact CG2-CD1 3.45Å; V66-F83 VanDerWaalsContact CG2-CD1 3.45Å; V66-F83 HydrophobicContact CG2-CE1 3.53Å; V66-F83 HydrophobicContact CG2-CG 4.45Å
67Y87.5Confident76.1Confident0 Ų073.1 Ų73.10%035%0.352CS..EExtended strand (participates in β ladder)trans-88.1145.4175.7-69-102.5000109.7L12 F30 R31 L37 I54 M56 H63 L81 A82 V84L12-Y67 HydrophobicContact CD1-CD1 4.33Å; L12-Y67 HydrophobicContact CD1-CD2 4.35Å; L12-Y67 HydrophobicContact CD1-CG 3.94Å; F30-Y67 CarbonylContact O-C 3.59Å; F30-Y67 VanDerWaalsContact O-CA 3.28Å; F30-Y67 WeakPolarHBondContact O-CA 3.46Å; R31-Y67 HydrophobicContact CB-CD1 4.4Å; R31-Y67 HydrophobicContact CB-CE1 4.25Å; R31-Y67 WeakPolarHBondContact CD-OH 3.37Å; R31-Y67 HydrophobicContact CG-CD1 4.31Å; R31-Y67 HydrophobicContact CG-CD2 4.28Å; R31-Y67 HydrophobicContact CG-CE1 3.99Å; R31-Y67 HydrophobicContact CG-CE2 3.95Å; R31-Y67 HydrophobicContact CG-CG 4.44Å; L37-Y67 HydrophobicContact CD1-CD1 3.58Å; L37-Y67 HydrophobicContact CD1-CE1 3.59Å; I54-Y67 HydrophobicContact CD1-CD1 3.94Å; I54-Y67 HydrophobicContact CD1-CE1 4.4Å; M56-Y67 HydrophobicContact CE-CE1 3.69Å; M56-Y67 WeakPolarHBondContact CE-OH 3.28Å; M56-Y67 HydrophobicContact SD-CE1 4.46Å; H63-Y67 WeakPolarHBondContact O-CE2 3.5Å; H63-Y67 PolarHBondContact O-OH 2.88Å; Y67-L81 CarbonylContact O-C 3.53Å; Y67-L81 WeakPolarHBondContact O-CA 3.47Å; Y67-A82 WeakPolarHBondContact CA-O 3.46Å; Y67-A82 WeakPolarHBondContact CB-O 3.03Å; Y67-A82 PolarHBondContact N-O 3Å; Y67-A82 PolarHBondContact O-N 2.96Å; Y67-V84 HydrophobicContact CD2-CB 3.94Å; Y67-V84 HydrophobicContact CD2-CG2 3.45Å; Y67-V84 VanDerWaalsContact CD2-CG2 3.45Å; Y67-V84 HydrophobicContact CE2-CB 3.77Å; Y67-V84 HydrophobicContact CE2-CG1 4.47Å; Y67-V84 HydrophobicContact CE2-CG2 3.67Å; Y67-V84 HydrophobicContact CG-CG2 4.37Å
68S84.2Confident75.5Confident2 Ų273.1 Ų73.11%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-137.6138.4173.270.70000112.5W29 F30 E79 H80 L81W29-S68 CarbonylContact C-O 3.59Å; W29-S68 VanDerWaalsContact CA-O 3.29Å; W29-S68 WeakPolarHBondContact CA-O 3.34Å; F30-S68 PolarHBondContact N-O 3.04Å; F30-S68 PolarHBondContact O-N 2.74Å; S68-E79 WeakPolarHBondContact CB-OE1 3.36Å; S68-E79 PolarHBondContact OG-OE1 3.49Å; S68-H80 CarbonylContact C-O 3.49Å; S68-H80 WeakPolarHBondContact CA-O 3.35Å; S68-L81 VanDerWaalsContact CB-CD2 3.46Å
69A86.6Confident75.5Confident5 Ų576.3 Ų76.34%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-100.2121.2169.500000107.9C14 W29 E79 H80C14-A69 HydrophobicContact CB-CB 3.83Å; W29-A69 HydrophobicContact CD2-CB 3.95Å; W29-A69 HydrophobicContact CE3-CB 3.94Å; W29-A69 HydrophobicContact CH2-CB 3.89Å; W29-A69 HydrophobicContact CZ2-CB 3.87Å; W29-A69 HydrophobicContact CZ3-CB 3.91Å; A69-E79 WeakPolarHBondContact O-CA 3.27Å; A69-H80 PolarHBondContact N-O 2.7Å; A69-H80 PolarHBondContact O-N 2.7Å
70R85.4Confident75.3Confident61 Ų6182.2 Ų82.223%0.2339%0.391CS..EExtended strand (participates in β ladder)trans-108.2118.6177.3-65.6-171.8-177.4152.5-0.3109.4V27 L28 F30 G33 T77 E78 E79V27-R70 WeakPolarHBondContact CA-O 3.29Å; L28-R70 PolarHBondContact N-O 3.42Å; L28-R70 PolarHBondContact O-N 2.78Å; F30-R70 HydrophobicContact CD2-CB 4.33Å; F30-R70 HydrophobicContact CD2-CG 3.91Å; F30-R70 HydrophobicContact CE2-CB 4.18Å; F30-R70 HydrophobicContact CE2-CG 4.1Å; G33-R70 PolarHBondContact O-NH1 3.25Å; G33-R70 PolarHBondContact O-NH2 3.02Å; R70-T77 HydrophobicContact CB-CG2 4.22Å; R70-E78 CarbonylContact C-O 3.5Å; R70-E78 VanDerWaalsContact CA-O 3.32Å; R70-E78 WeakPolarHBondContact CA-O 3.4Å; R70-E79 HydrophobicContact CG-CB 4.05Å; R70-E79 HydrophobicContact CG-CG 3.83Å; R70-E79 IonicContact CZ-OE1 3.63Å; R70-E79 VanDerWaalsContact CZ-OE1 3.25Å; R70-E79 IonicContact CZ-OE2 3.24Å; R70-E79 IonicContact NE-OE1 3.84Å; R70-E79 PolarHBondContact NE-OE1 2.95Å; R70-E79 IonicContact NE-OE2 2.67Å; R70-E79 PolarHBondContact NE-OE2 3.46Å; R70-E79 IonicContact NH2-OE1 2.63Å; R70-E79 PolarHBondContact NH2-OE1 3.33Å; R70-E79 IonicContact NH2-OE2 2.92Å; R70-E79 PolarHBondContact NH2-OE2 2.63Å
71L79.2Confident75Confident37 Ų3782.2 Ų82.219%0.19440%0.397CS..EExtended strand (participates in β ladder)trans-103122174175.169000108.4F16 V27 T73 T77 E78F16-L71 HydrophobicContact CB-CD2 4.37Å; V27-L71 HydrophobicContact CG2-CD1 3.43Å; V27-L71 VanDerWaalsContact CG2-CD1 3.43Å; L71-T73 HydrophobicContact CD2-CG2 4.21Å; L71-T73 HydrophobicContact CG-CG2 4.17Å; L71-T77 WeakPolarHBondContact O-CA 3.29Å; L71-E78 PolarHBondContact N-O 3.35Å; L71-E78 PolarHBondContact O-N 3.29Å
72R69.3Low75Confident171 Ų17176.2 Ų76.265%0.64538%0.376SS*.EExtended strand (participates in β ladder)trans-96.6122.6175.3-171.6174.9177.9164.8-1110D26D26-R72 WeakPolarHBondContact CB-O 3.44Å; D26-R72 PolarHBondContact O-N 3.38Å
73T64.7Low74.7Confident67 Ų6773.4 Ų73.441%0.41136%0.362SS..  trans-114.2177.8171.874.10000110.2L71 D75 G76L71-T73 HydrophobicContact CD2-CG2 4.21Å; L71-T73 HydrophobicContact CG-CG2 4.17Å; T73-D75 PolarHBondContact O-N 3.23Å; T73-D75 PolarHBondContact OG1-N 2.83Å; T73-G76 PolarHBondContact N-O 2.94Å; T73-G76 PolarHBondContact OG1-N 2.91Å; T73-G76 PolarHBondContact OG1-O 3.41Å; T73-G76 VanDerWaalsContact OG1-O 3.11Å
74R57.5Low74.4Confident245 Ų24572.3 Ų72.393%0.92536%0.357SS*.SBendtrans-67.6-23.3175.8-174176.7166.2-170.1-5.7112.7
75D55.6Low73.9Confident159 Ų15973.1 Ų73.185%0.8536%0.358SS*.SBendtrans-102.4-9.8-173.4-58.1-40.8000113.2T73T73-D75 PolarHBondContact O-N 3.23Å; T73-D75 PolarHBondContact OG1-N 2.83Å
76G59.1Low73.6Confident34 Ų3473.6 Ų73.635%0.35136%0.357SS..  trans165.2-179178.400000113.5T73T73-G76 PolarHBondContact N-O 2.94Å; T73-G76 PolarHBondContact OG1-N 2.91Å; T73-G76 PolarHBondContact OG1-O 3.41Å; T73-G76 VanDerWaalsContact OG1-O 3.11Å
77T72.4Confident72.6Confident84 Ų8476 Ų7652%0.51536%0.364SS..EExtended strand (participates in β ladder)trans-114.1123.6171.2-54.80000108.4R70 L71R70-T77 HydrophobicContact CB-CG2 4.22Å; L71-T77 WeakPolarHBondContact O-CA 3.29Å
78E72.1Confident70.8Confident122 Ų12283.5 Ų83.557%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-100140175.6-69.9-63.7150.400110R70 L71R70-E78 CarbonylContact C-O 3.5Å; R70-E78 VanDerWaalsContact CA-O 3.32Å; R70-E78 WeakPolarHBondContact CA-O 3.4Å; L71-E78 PolarHBondContact N-O 3.35Å; L71-E78 PolarHBondContact O-N 3.29Å
79E80.6Confident69.2Low81 Ų8187.2 Ų87.238%0.37944%0.443SS..EExtended strand (participates in β ladder)trans-129.7128.5-177.5-178.7169.4-148.600111.7S68 A69 R70 L81S68-E79 WeakPolarHBondContact CB-OE1 3.36Å; S68-E79 PolarHBondContact OG-OE1 3.49Å; A69-E79 WeakPolarHBondContact O-CA 3.27Å; R70-E79 HydrophobicContact CG-CB 4.05Å; R70-E79 HydrophobicContact CG-CG 3.83Å; R70-E79 IonicContact CZ-OE1 3.63Å; R70-E79 VanDerWaalsContact CZ-OE1 3.25Å; R70-E79 IonicContact CZ-OE2 3.24Å; R70-E79 IonicContact NE-OE1 3.84Å; R70-E79 PolarHBondContact NE-OE1 2.95Å; R70-E79 IonicContact NE-OE2 2.67Å; R70-E79 PolarHBondContact NE-OE2 3.46Å; R70-E79 IonicContact NH2-OE1 2.63Å; R70-E79 PolarHBondContact NH2-OE1 3.33Å; R70-E79 IonicContact NH2-OE2 2.92Å; R70-E79 PolarHBondContact NH2-OE2 2.63Å; E79-L81 HydrophobicContact CG-CD2 4.12Å
80H77.1Confident67.3Low125 Ų12592.7 Ų92.758%0.57948%0.481SS*.EExtended strand (participates in β ladder)trans-120.5136.5175.2-71-80.4000111.7S68 A69S68-H80 CarbonylContact C-O 3.49Å; S68-H80 WeakPolarHBondContact CA-O 3.35Å; A69-H80 PolarHBondContact N-O 2.7Å; A69-H80 PolarHBondContact O-N 2.7Å
81L76.3Confident65Low103 Ų10393.5 Ų93.554%0.53950%0.501SS..EExtended strand (participates in β ladder)trans-103.6143.8-172.1-54-178.1000113.2V66 Y67 S68 E79 F83V66-L81 HydrophobicContact CG1-CB 4.27Å; V66-L81 HydrophobicContact CG1-CD2 4.37Å; Y67-L81 CarbonylContact O-C 3.53Å; Y67-L81 WeakPolarHBondContact O-CA 3.47Å; S68-L81 VanDerWaalsContact CB-CD2 3.46Å; E79-L81 HydrophobicContact CG-CD2 4.12Å; L81-F83 HydrophobicContact CB-CE2 4.17Å; L81-F83 HydrophobicContact CD1-CZ 4.32Å
82A76.1Confident63.3Low28 Ų2896.6 Ų96.623%0.23153%0.532CS..EExtended strand (participates in β ladder)trans-136.6116.6172.400000110.3L12 Y67L12-A82 HydrophobicContact CD1-CB 4.23Å; Y67-A82 WeakPolarHBondContact CA-O 3.46Å; Y67-A82 WeakPolarHBondContact CB-O 3.03Å; Y67-A82 PolarHBondContact N-O 3Å; Y67-A82 PolarHBondContact O-N 2.96Å
83F70.1Confident62Low76 Ų7693.8 Ų93.833%0.33353%0.533SS..EExtended strand (participates in β ladder)trans-88.6128.3-178.7-59.3-99.6000110.3P1 T2 V66 L81 Y85P1-F83 CarbonylContact C-O 3.58Å; P1-F83 VanDerWaalsContact CA-O 3.22Å; P1-F83 WeakPolarHBondContact CA-O 3.32Å; P1-F83 HydrophobicContact CB-CB 4.11Å; T2-F83 PolarHBondContact N-O 2.82Å; V66-F83 HydrophobicContact CB-CD1 4.22Å; V66-F83 HydrophobicContact CB-CE1 4.27Å; V66-F83 HydrophobicContact CG1-CD1 3.9Å; V66-F83 HydrophobicContact CG1-CE1 3.71Å; V66-F83 HydrophobicContact CG1-CE2 4.48Å; V66-F83 HydrophobicContact CG1-CG 4.34Å; V66-F83 HydrophobicContact CG1-CZ 4.02Å; V66-F83 HydrophobicContact CG2-CD1 3.45Å; V66-F83 VanDerWaalsContact CG2-CD1 3.45Å; V66-F83 HydrophobicContact CG2-CE1 3.53Å; V66-F83 HydrophobicContact CG2-CG 4.45Å; L81-F83 HydrophobicContact CB-CE2 4.17Å; L81-F83 HydrophobicContact CD1-CZ 4.32Å; F83-Y85 HydrophobicContact CB-CE2 3.7Å
84V77.6Confident61.3Low1 Ų193.5 Ų93.51%0.00653%0.532CS..EExtended strand (participates in β ladder)trans-118.9129.5179.9178.90000109.9T2 V4 L10 L12 E64 G65 Y67T2-V84 CarbonylContact O-C 3.36Å; T2-V84 WeakPolarHBondContact O-CA 3.43Å; V4-V84 HydrophobicContact CG2-CG1 4.42Å; L10-V84 HydrophobicContact CD2-CB 4.47Å; L10-V84 HydrophobicContact CD2-CG1 3.74Å; L10-V84 HydrophobicContact CD2-CG2 3.86Å; L12-V84 HydrophobicContact CD1-CG2 3.91Å; E64-V84 WeakPolarHBondContact CG-O 3.05Å; G65-V84 PolarHBondContact N-O 3.48Å; G65-V84 PolarHBondContact O-N 2.89Å; Y67-V84 HydrophobicContact CD2-CB 3.94Å; Y67-V84 HydrophobicContact CD2-CG2 3.45Å; Y67-V84 VanDerWaalsContact CD2-CG2 3.45Å; Y67-V84 HydrophobicContact CE2-CB 3.77Å; Y67-V84 HydrophobicContact CE2-CG1 4.47Å; Y67-V84 HydrophobicContact CE2-CG2 3.67Å; Y67-V84 HydrophobicContact CG-CG2 4.37Å
85Y67.9Low61.4Low81 Ų8183.4 Ų83.432%0.31851%0.505SS..EExtended strand (participates in β ladder)trans-129148.6-177.6-61.1-76.4000112.3P1 T2 W3 V4 E64 F83P1-Y85 HydrophobicContact CB-CD2 4.16Å; P1-Y85 HydrophobicContact CB-CE2 3.84Å; T2-Y85 PolarHBondContact O-N 3.31Å; W3-Y85 CarbonylContact C-O 3.59Å; W3-Y85 WeakPolarHBondContact CA-O 3.49Å; W3-Y85 HydrophobicContact CD2-CD2 4.47Å; W3-Y85 HydrophobicContact CE3-CG 4.31Å; W3-Y85 HydrophobicContact CH2-CD2 4.28Å; W3-Y85 HydrophobicContact CH2-CG 4.02Å; W3-Y85 HydrophobicContact CZ2-CD2 4.04Å; W3-Y85 HydrophobicContact CZ2-CG 4.24Å; W3-Y85 VanDerWaalsContact CZ3-CB 3.41Å; W3-Y85 HydrophobicContact CZ3-CG 4.06Å; V4-Y85 PolarHBondContact N-O 3.38Å; E64-Y85 HydrophobicContact CG-CD1 4.41Å; E64-Y85 VanDerWaalsContact OE1-CA 3.32Å; E64-Y85 WeakPolarHBondContact OE1-CA 3.1Å; E64-Y85 WeakPolarHBondContact OE1-CD1 3.35Å; F83-Y85 HydrophobicContact CB-CE2 3.7Å
86L69Low62Low24 Ų2477.5 Ų77.513%0.12648%0.481CS..EExtended strand (participates in β ladder)trans-91142.8174-80.7-169.1000112.5V4 E6 V59 K61 E64V4-L86 WeakPolarHBondContact O-CA 3.33Å; V4-L86 WeakPolarHBondContact O-CD2 3.39Å; E6-L86 HydrophobicContact CB-CD1 4.16Å; E6-L86 HydrophobicContact CB-CD2 4.2Å; E6-L86 HydrophobicContact CG-CD1 4.24Å; V59-L86 HydrophobicContact CG1-CD2 3.97Å; K61-L86 HydrophobicContact CB-CD1 3.86Å; K61-L86 HydrophobicContact CG-CD1 4.44Å; K61-L86 VanDerWaalsContact N-CD1 3.32Å; E64-L86 PolarHBondContact OE1-N 3.12Å; E64-L86 VanDerWaalsContact OE1-N 3.13Å
87K56.2Low63.3Low91 Ų9176 Ų7640%0.39647%0.466SS..PPolyproline II helixtrans-98.3122.5-178.6-156.3174.6-174.9178.50112.2V4V4-K87 PolarHBondContact O-N 2.84Å
88D49.8Very low63.8Low156 Ų15673.6 Ų73.683%0.83445%0.454SS*.PPolyproline II helixtrans-84.9139.4174.2-136.7-13.4000111.4S90D88-S90 PolarHBondContact O-N 2.78Å
89G50.3Low64.5Low81 Ų8169.7 Ų69.784%0.83544%0.44SS*.SBendtrans-78.235.7-150.300000120.2
90S46.1Very low65Low119 Ų11966 Ų6683%0.83242%0.424SS*.  trans-140.623.1-170.166.40000119.9D88D88-S90 PolarHBondContact O-N 2.78Å
91A37.5Very low65.3Low79 Ų7963.8 Ų63.865%0.65342%0.415SS*.SBendtrans-132.6135.317300000113V93A91-V93 PolarHBondContact O-N 3.42Å
92A44.3Very low65.7Low101 Ų10161 Ų6184%0.83541%0.407SS*.PPolyproline II helixtrans-51.6136.5173.400000110.6P94A92-P94 WeakPolarHBondContact O-CD 3.24Å
93V42.5Very low66.2Low113 Ų11360.7 Ų60.769%0.68540%0.403SS*.PPolyproline II helixtrans-66.6123.4-172.1-178.10000110A91 G95A91-V93 PolarHBondContact O-N 3.42Å; V93-G95 PolarHBondContact O-N 2.9Å
94P49Very low66.9Low60 Ų6062.9 Ų62.939%0.3941%0.414SS..PPolyproline II helixtrans-63.8123.6166.2-16.830000108.9A92 G124 A177A92-P94 WeakPolarHBondContact O-CD 3.24Å; P94-G124 CarbonylContact C-O 3.46Å; P94-G124 WeakPolarHBondContact CA-O 3.43Å; P94-A177 HydrophobicContact CB-CB 4.2Å; P94-A177 WeakPolarHBondContact O-CB 3.39Å
95G59.5Low67.2Low34 Ų3465 Ų6535%0.35143%0.427SS..PPolyproline II helixtrans-89.5166.1173.500000111.6V93 G124 N175V93-G95 PolarHBondContact O-N 2.9Å; G95-G124 PolarHBondContact N-O 3.29Å; G95-N175 PolarHBondContact O-ND2 2.74Å
96G69Low67.4Low34 Ų3463.7 Ų63.735%0.35143%0.429SS..PPolyproline II helixtrans-58.2152.3163.300000110.2
97P84.9Confident67.6Low3 Ų365 Ų652%0.01944%0.437CS..PPolyproline II helixtrans-60.1160-177.6-21.134000111.8P120 V128 A173 N175 G180P97-P120 HydrophobicContact CB-CG 4.04Å; P97-V128 HydrophobicContact CB-CG2 4.05Å; P97-V128 HydrophobicContact CG-CG2 4.05Å; P97-A173 HydrophobicContact CB-CB 3.72Å; P97-A173 HydrophobicContact CG-CB 4.06Å; P97-N175 VanDerWaalsContact CD-CG 3.45Å; P97-N175 HydrophobicContact CG-CB 3.68Å; P97-G180 WeakPolarHBondContact O-CA 3.44Å
98A84.3Confident68.6Low34 Ų3462.2 Ų62.228%0.28143%0.427SS..PPolyproline II helixtrans-63168.6168.600000111.1P120 A122A98-P120 HydrophobicContact CB-CB 4.05Å; A98-P120 WeakPolarHBondContact O-CB 3.35Å; A98-A122 HydrophobicContact CB-CB 4.38Å; A98-A122 PolarHBondContact N-O 3.37Å
99S86.9Confident69.8Low39 Ų3956.7 Ų56.727%0.27340%0.398SS..PPolyproline II helixtrans-64.7138.5178.1-59.60000111.3R181 P182S99-R181 WeakPolarHBondContact CA-O 3.4Å; S99-R181 WeakPolarHBondContact OG-CB 3.26Å; S99-R181 PolarHBondContact OG-O 3.46Å; S99-R181 VanDerWaalsContact OG-O 3.1Å; S99-P182 WeakPolarHBondContact CB-O 2.93Å; S99-P182 PolarHBondContact OG-O 3.29Å
100P89.5Confident70.9Confident5 Ų555.8 Ų55.83%0.03237%0.371CS..PPolyproline II helixtrans-54.2144.3169-25.735000112.2V103 Y131 V171 A173P100-V103 HydrophobicContact CB-CG2 4.38Å; P100-Y131 HydrophobicContact CG-CD1 4.01Å; P100-Y131 HydrophobicContact CG-CE1 4.2Å; P100-V171 HydrophobicContact CB-CB 4.32Å; P100-V171 HydrophobicContact CB-CG1 4.37Å; P100-V171 WeakPolarHBondContact CD-O 3.08Å; P100-V171 HydrophobicContact CG-CB 4.14Å; P100-V171 HydrophobicContact CG-CG1 3.97Å; P100-V171 WeakPolarHBondContact CG-O 3.41Å; P100-A173 HydrophobicContact CG-CB 4.03Å
101L85.4Confident71.9Confident77 Ų7754.3 Ų54.340%0.40335%0.353SS..EExtended strand (participates in β ladder)trans-100.4157.8-176.1-61.9175.8000110.8V103 Q118L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 2.79Å; L101-Q118 HydrophobicContact CB-CB 4.07Å; L101-Q118 PolarHBondContact N-O 2.82Å; L101-Q118 PolarHBondContact O-N 2.78Å
102A83.5Confident73.9Confident44 Ų4451.7 Ų51.736%0.36433%0.327SS..EExtended strand (participates in β ladder)trans47.947.417300000114.4E104 W117 Q118A102-E104 PolarHBondContact O-N 2.93Å; A102-E104 VanDerWaalsContact O-N 3.17Å; A102-W117 WeakPolarHBondContact O-CA 3.33Å; A102-Q118 HydrophobicContact CB-CG 4.14Å
103V87.3Confident75.6Confident23 Ų2346.9 Ų46.914%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-70.8110173.6-1780000108.5P100 L101 T116 W117 V171 S183 T186P100-V103 HydrophobicContact CB-CG2 4.38Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 2.79Å; V103-T116 WeakPolarHBondContact CA-O 3.21Å; V103-W117 HydrophobicContact CB-CB 4.45Å; V103-W117 HydrophobicContact CG2-CB 3.84Å; V103-V171 HydrophobicContact CG1-CG2 3.82Å; V103-V171 HydrophobicContact CG2-CB 4.13Å; V103-V171 HydrophobicContact CG2-CG2 3.96Å; V103-S183 WeakPolarHBondContact CG2-OG 3.25Å; V103-T186 HydrophobicContact CG1-CG2 3.91Å
104E84.2Confident77.5Confident122 Ų12241.5 Ų41.557%0.5725%0.254SS*.EExtended strand (participates in β ladder)trans-129.2148.7-173.7-69.9177.1-170.200110.6A102 L115 T116A102-E104 PolarHBondContact O-N 2.93Å; A102-E104 VanDerWaalsContact O-N 3.17Å; E104-L115 WeakPolarHBondContact O-CA 3.36Å; E104-T116 PolarHBondContact N-O 2.85Å; E104-T116 PolarHBondContact O-N 3.1Å; E104-T116 PolarHBondContact O-OG1 3.04Å
105V83.1Confident79.1Confident46 Ų4638.7 Ų38.728%0.27924%0.236SC..EExtended strand (participates in β ladder)trans-91.5112.1173.4172.30000106.9V108 V113 F114 L115 F169 T186 V189V105-V108 HydrophobicContact CG1-CG2 3.29Å; V105-V113 HydrophobicContact CG1-CG1 3.77Å; V105-V113 HydrophobicContact CG2-CG1 4.06Å; V105-F114 WeakPolarHBondContact CA-O 3.49Å; V105-L115 HydrophobicContact CB-CD2 4.43Å; V105-L115 HydrophobicContact CG2-CD2 3.5Å; V105-L115 VanDerWaalsContact CG2-CD2 3.5Å; V105-F169 HydrophobicContact CG2-CD2 4.46Å; V105-T186 HydrophobicContact CG2-CG2 4.15Å; V105-V189 HydrophobicContact CB-CG2 4.33Å; V105-V189 HydrophobicContact CG1-CG1 4.43Å; V105-V189 HydrophobicContact CG1-CG2 4.32Å; V105-V189 HydrophobicContact CG2-CG2 3.68Å
106S72.7Confident80.2Confident53 Ų5338.5 Ų38.537%0.37123%0.228SC..EExtended strand (participates in β ladder)trans-94.6-25.5-174.7200000112.8F114 T116S106-F114 PolarHBondContact N-O 2.76Å; S106-F114 WeakPolarHBondContact OG-CD1 3.29Å; S106-F114 PolarHBondContact OG-O 3.45Å; S106-T116 VanDerWaalsContact OG-CG2 3.22Å; S106-T116 WeakPolarHBondContact OG-CG2 3.14Å; S106-T116 PolarHBondContact OG-OG1 2.78Å; S106-T116 VanDerWaalsContact OG-OG1 3.08Å
107D74.3Confident81.2Confident52 Ų5237.5 Ų37.528%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-154.4149.8176.3-171.226.5000111.4Y112 F114D107-Y112 HydrophobicContact CB-CE2 4.5Å; D107-Y112 WeakPolarHBondContact OD2-CE2 3.17Å; D107-Y112 PolarHBondContact OD2-OH 3.39Å; D107-F114 HydrophobicContact CB-CB 3.8Å; D107-F114 PolarHBondContact O-N 2.83Å
108V76.9Confident81.3Confident32 Ų3242.7 Ų42.719%0.19424%0.238CC..EExtended strand (participates in β ladder)trans-142.5133.7-177.2-177.60000110.3V105 V113 V189 L190V105-V108 HydrophobicContact CG1-CG2 3.29Å; V108-V113 HydrophobicContact CG1-CG2 4.1Å; V108-V113 HydrophobicContact CG2-CG2 4.32Å; V108-V189 HydrophobicContact CB-CG1 4.4Å; V108-V189 HydrophobicContact CG1-CG1 3.88Å; V108-V189 HydrophobicContact CG2-CG1 3.56Å; V108-L190 WeakPolarHBondContact CG1-O 2.96Å
109N74.8Confident81.3Confident40 Ų4044.6 Ų44.621%0.21425%0.247CC..  trans-133.3175.5173.7-167.2-63.6000109D111 Y112 A192 D193N109-D111 PolarHBondContact O-N 3.29Å; N109-Y112 HydrophobicContact CB-CD1 3.59Å; N109-Y112 HydrophobicContact CB-CE1 3.32Å; N109-Y112 HydrophobicContact CB-CE2 4.33Å; N109-Y112 HydrophobicContact CB-CG 4.21Å; N109-Y112 PolarHBondContact N-O 2.72Å; N109-A192 CarbonylContact C-O 3.56Å; N109-D193 PolarHBondContact OD1-OD1 2.79Å; N109-D193 VanDerWaalsContact OD1-OD1 3.09Å
110K73.3Confident81.4Confident62 Ų6243.5 Ų43.527%0.2724%0.239SC..SBendtrans-60.5-32.4173.662.6173.3168.5-133.30113.6E163 A192 D193K110-E163 HydrophobicContact CB-CB 4.1Å; K110-E163 HydrophobicContact CB-CG 3.78Å; K110-A192 PolarHBondContact N-O 2.79Å; K110-D193 WeakPolarHBondContact CD-OD2 3.49Å; K110-D193 WeakPolarHBondContact CE-OD2 3.37Å; K110-D193 WeakPolarHBondContact CG-OD1 3.41Å; K110-D193 IonicContact NZ-OD1 3.92Å; K110-D193 IonicContact NZ-OD2 2.78Å; K110-D193 PolarHBondContact NZ-OD2 2.92Å
111D68.1Low81.1Confident87 Ų8748.1 Ų48.147%0.46527%0.272SS..SBendtrans-106.9-13.8-171.2-62.8-32.9000113.9N109 G160N109-D111 PolarHBondContact O-N 3.29Å; D111-G160 PolarHBondContact O-N 3.49Å
112Y78.4Confident80.7Confident25 Ų2547 Ų4710%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-148.2158.2-179.276.6-93.7000114.4D107 N109 F114 V158 F159D107-Y112 HydrophobicContact CB-CE2 4.5Å; D107-Y112 WeakPolarHBondContact OD2-CE2 3.17Å; D107-Y112 PolarHBondContact OD2-OH 3.39Å; N109-Y112 HydrophobicContact CB-CD1 3.59Å; N109-Y112 HydrophobicContact CB-CE1 3.32Å; N109-Y112 HydrophobicContact CB-CE2 4.33Å; N109-Y112 HydrophobicContact CB-CG 4.21Å; N109-Y112 PolarHBondContact N-O 2.72Å; Y112-F114 HydrophobicContact CE2-CB 4.4Å; Y112-V158 CarbonylContact C-O 3.54Å; Y112-V158 WeakPolarHBondContact CA-O 3.11Å; Y112-V158 WeakPolarHBondContact CB-O 3.21Å; Y112-F159 HydrophobicContact CD1-CE1 4.3Å; Y112-F159 HydrophobicContact CG-CD1 4.4Å; Y112-F159 HydrophobicContact CG-CE1 4.12Å
113V80.4Confident80.4Confident0 Ų048.1 Ų48.10%027%0.273CS..EExtended strand (participates in β ladder)trans-127.4128.2167.51700000108.9V105 V108 L115 P157 V158 L161 F169 V189 T191V105-V113 HydrophobicContact CG1-CG1 3.77Å; V105-V113 HydrophobicContact CG2-CG1 4.06Å; V108-V113 HydrophobicContact CG1-CG2 4.1Å; V108-V113 HydrophobicContact CG2-CG2 4.32Å; V113-L115 HydrophobicContact CG1-CD2 4.11Å; V113-L115 HydrophobicContact CG1-CG 4.38Å; V113-P157 CarbonylContact O-C 3.48Å; V113-P157 WeakPolarHBondContact O-CA 3.27Å; V113-V158 PolarHBondContact N-O 3.44Å; V113-V158 PolarHBondContact O-N 2.71Å; V113-L161 HydrophobicContact CB-CD1 3.82Å; V113-L161 HydrophobicContact CG2-CD1 3.47Å; V113-L161 VanDerWaalsContact CG2-CD1 3.47Å; V113-F169 HydrophobicContact CB-CE1 4.45Å; V113-F169 HydrophobicContact CB-CE2 4.01Å; V113-F169 HydrophobicContact CB-CZ 3.74Å; V113-F169 HydrophobicContact CG1-CD2 4.19Å; V113-F169 HydrophobicContact CG1-CE2 3.65Å; V113-F169 HydrophobicContact CG1-CZ 3.88Å; V113-F169 HydrophobicContact CG2-CE2 3.99Å; V113-F169 HydrophobicContact CG2-CZ 3.81Å; V113-V189 HydrophobicContact CG2-CG1 4.03Å; V113-T191 HydrophobicContact CG2-CG2 3.77Å
114F81.7Confident79.5Confident0 Ų048.2 Ų48.20%028%0.279CS..EExtended strand (participates in β ladder)trans-94.2122.7177.3-162.2-111.8000110.7V105 S106 D107 Y112 T116 H155 P157 I304 N305 V309V105-F114 WeakPolarHBondContact CA-O 3.49Å; S106-F114 PolarHBondContact N-O 2.76Å; S106-F114 WeakPolarHBondContact OG-CD1 3.29Å; S106-F114 PolarHBondContact OG-O 3.45Å; D107-F114 HydrophobicContact CB-CB 3.8Å; D107-F114 PolarHBondContact O-N 2.83Å; Y112-F114 HydrophobicContact CE2-CB 4.4Å; F114-T116 HydrophobicContact CD1-CG2 4.35Å; F114-T116 HydrophobicContact CE1-CG2 3.93Å; F114-H155 HydrophobicContact CE1-CB 4.2Å; F114-H155 HydrophobicContact CZ-CB 3.85Å; F114-H155 AromaticContact CZ-CD2 3.65Å; F114-H155 AromaticContact CZ-CG 4Å; F114-P157 HydrophobicContact CD2-CB 3.77Å; F114-P157 HydrophobicContact CD2-CG 4.22Å; F114-P157 HydrophobicContact CE2-CB 4.3Å; F114-P157 HydrophobicContact CE2-CG 4.25Å; F114-I304 HydrophobicContact CE2-CG2 3.73Å; F114-I304 HydrophobicContact CZ-CG2 3.99Å; F114-N305 WeakPolarHBondContact CZ-O 3.39Å; F114-V309 HydrophobicContact CD2-CG2 3.81Å; F114-V309 HydrophobicContact CE2-CG2 4Å
115L83.9Confident78.4Confident0 Ų045.4 Ų45.40%028%0.282CS..EExtended strand (participates in β ladder)trans-109.3139.8179.5-62.6171.7000110.7E104 V105 V113 W117 V133 H155 F156 V158 F169 T186E104-L115 WeakPolarHBondContact O-CA 3.36Å; V105-L115 HydrophobicContact CB-CD2 4.43Å; V105-L115 HydrophobicContact CG2-CD2 3.5Å; V105-L115 VanDerWaalsContact CG2-CD2 3.5Å; V113-L115 HydrophobicContact CG1-CD2 4.11Å; V113-L115 HydrophobicContact CG1-CG 4.38Å; L115-W117 HydrophobicContact CB-CE3 4.32Å; L115-W117 HydrophobicContact CB-CZ3 4.15Å; L115-V133 HydrophobicContact CD1-CG1 3.59Å; L115-H155 CarbonylContact O-C 3.59Å; L115-H155 WeakPolarHBondContact O-CA 2.99Å; L115-H155 WeakPolarHBondContact O-CB 3.42Å; L115-F156 PolarHBondContact N-O 3.03Å; L115-F156 PolarHBondContact O-N 3.2Å; L115-V158 HydrophobicContact CD1-CG2 3.86Å; L115-F169 HydrophobicContact CD1-CB 3.6Å; L115-F169 HydrophobicContact CD1-CD1 3.88Å; L115-F169 HydrophobicContact CD1-CG 3.81Å; L115-F169 HydrophobicContact CD2-CB 3.9Å; L115-F169 HydrophobicContact CD2-CD2 4.14Å; L115-F169 HydrophobicContact CD2-CG 4.02Å; L115-F169 HydrophobicContact CG-CB 4.4Å; L115-F169 HydrophobicContact CG-CG 4.42Å; L115-T186 HydrophobicContact CD2-CG2 4.39Å
116T81.9Confident77.7Confident30 Ų3044 Ų4418%0.18428%0.275CS..EExtended strand (participates in β ladder)trans-127.2144.9172.242.50000109.6V103 E104 S106 F114 H155 K306V103-T116 WeakPolarHBondContact CA-O 3.21Å; E104-T116 PolarHBondContact N-O 2.85Å; E104-T116 PolarHBondContact O-N 3.1Å; E104-T116 PolarHBondContact O-OG1 3.04Å; S106-T116 VanDerWaalsContact OG-CG2 3.22Å; S106-T116 WeakPolarHBondContact OG-CG2 3.14Å; S106-T116 PolarHBondContact OG-OG1 2.78Å; S106-T116 VanDerWaalsContact OG-OG1 3.08Å; F114-T116 HydrophobicContact CD1-CG2 4.35Å; F114-T116 HydrophobicContact CE1-CG2 3.93Å; T116-H155 HydrophobicContact CG2-CB 3.86Å; T116-K306 WeakPolarHBondContact CG2-O 3.25Å
117W90.4Very high77.8Confident13 Ų1345.8 Ų45.85%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-148.5176177.461.790.9000112.4A102 V103 L115 Y131 V133 Q151 I153 C154 F156 V171A102-W117 WeakPolarHBondContact O-CA 3.33Å; V103-W117 HydrophobicContact CB-CB 4.45Å; V103-W117 HydrophobicContact CG2-CB 3.84Å; L115-W117 HydrophobicContact CB-CE3 4.32Å; L115-W117 HydrophobicContact CB-CZ3 4.15Å; W117-Y131 AromaticContact CE2-CD2 3.99Å; W117-Y131 AromaticContact CE2-CG 3.84Å; W117-Y131 AromaticContact CZ2-CD2 3.85Å; W117-Y131 HydrophobicContact CZ2-CD2 3.85Å; W117-Y131 AromaticContact CZ2-CG 3.79Å; W117-Y131 HydrophobicContact CZ2-CG 3.79Å; W117-Y131 AromaticContact NE1-CD1 3.36Å; W117-Y131 AromaticContact NE1-CD2 3.47Å; W117-Y131 AromaticContact NE1-CE1 3.53Å; W117-Y131 AromaticContact NE1-CE2 3.68Å; W117-Y131 AromaticContact NE1-CG 3.36Å; W117-Y131 AromaticContact NE1-CZ 3.72Å; W117-V133 HydrophobicContact CH2-CG2 3.77Å; W117-V133 HydrophobicContact CZ3-CG2 4.08Å; W117-Q151 HydrophobicContact CH2-CG 4.21Å; W117-Q151 HydrophobicContact CZ2-CG 4.28Å; W117-I153 WeakPolarHBondContact CZ2-O 3.33Å; W117-C154 HydrophobicContact CD2-CB 4.39Å; W117-C154 VanDerWaalsContact CE2-CA 3.5Å; W117-C154 HydrophobicContact CG-CB 4.21Å; W117-C154 PolarHBondContact N-O 2.94Å; W117-C154 WeakPolarHBondContact O-CB 3.17Å; W117-F156 HydrophobicContact CH2-CB 3.55Å; W117-F156 HydrophobicContact CZ3-CB 3.71Å; W117-V171 HydrophobicContact CD2-CG1 4.07Å; W117-V171 HydrophobicContact CD2-CG2 4.14Å; W117-V171 HydrophobicContact CE3-CG2 3.93Å; W117-V171 HydrophobicContact CG-CG1 4.45Å; W117-V171 HydrophobicContact CZ2-CG1 4.11Å; W117-V171 HydrophobicContact CZ3-CG2 4.27Å
118Q86.2Confident78.2Confident113 Ų11345.4 Ų45.453%0.52829%0.285SS..EExtended strand (participates in β ladder)trans-112.4149172.7-68.3-179.24.700110.9L101 A102L101-Q118 HydrophobicContact CB-CB 4.07Å; L101-Q118 PolarHBondContact N-O 2.82Å; L101-Q118 PolarHBondContact O-N 2.78Å; A102-Q118 HydrophobicContact CB-CG 4.14Å
119P85.1Confident78.4Confident74 Ų7447.9 Ų47.948%0.48129%0.294SS..  trans-55.3153.3173.5-2433.1000112.6Y131P119-Y131 WeakPolarHBondContact CA-OH 3.5Å
120P87.8Confident78.8Confident15 Ų1546 Ų4610%0.09728%0.284CS..  trans-66.3149.1177.929.8-35.9000111.6P97 A98 A122 V128 A173P97-P120 HydrophobicContact CB-CG 4.04Å; A98-P120 HydrophobicContact CB-CB 4.05Å; A98-P120 WeakPolarHBondContact O-CB 3.35Å; P120-A122 PolarHBondContact O-N 2.99Å; P120-V128 HydrophobicContact CG-CG2 3.78Å; P120-A173 HydrophobicContact CG-CB 3.94Å
121S82.9Confident79.5Confident103 Ų10343.6 Ų43.672%0.7227%0.274SS*.SBendtrans-67.2-18.3-179.854.40000114.3
122A78.8Confident80.5Confident52 Ų5241.4 Ų41.443%0.4326%0.259SS..  trans-141.513417400000110.1A98 P120 G124A98-A122 HydrophobicContact CB-CB 4.38Å; A98-A122 PolarHBondContact N-O 3.37Å; P120-A122 PolarHBondContact O-N 2.99Å; A122-G124 VanDerWaalsContact C-N 3.28Å; A122-G124 PolarHBondContact O-N 3.48Å
123D75.6Confident80.9Confident68 Ų6840.2 Ų40.236%0.36425%0.254SS..  trans-85.11-179.270.2-3.4000113.1G125 S126 V128 N175D123-G125 PolarHBondContact O-N 2.69Å; D123-G125 PolarHBondContact OD1-N 3.04Å; D123-S126 WeakPolarHBondContact CB-O 3.37Å; D123-V128 HydrophobicContact CB-CG2 4.08Å; D123-N175 PolarHBondContact O-ND2 2.78Å
124G69.1Low81.3Confident26 Ų2641.6 Ų41.627%0.26826%0.261SS..THydrogen-bonded Turntrans72.113.9-18000000114.1P94 G95 A122P94-G124 CarbonylContact C-O 3.46Å; P94-G124 WeakPolarHBondContact CA-O 3.43Å; G95-G124 PolarHBondContact N-O 3.29Å; A122-G124 VanDerWaalsContact C-N 3.28Å; A122-G124 PolarHBondContact O-N 3.48Å
125G61.8Low81.7Confident62 Ų6244.3 Ų44.364%0.63927%0.271SS*.THydrogen-bonded Turntrans90.77.2-179.500000114.3D123D123-G125 PolarHBondContact O-N 2.69Å; D123-G125 PolarHBondContact OD1-N 3.04Å
126S67.4Low82Confident17 Ų1744.5 Ų44.512%0.11927%0.273CS..SBendtrans-142.6135.4169.6-165.40000110.1D123 V128 N175D123-S126 WeakPolarHBondContact CB-O 3.37Å; S126-V128 PolarHBondContact O-N 3.18Å; S126-N175 WeakPolarHBondContact O-CB 3.27Å; S126-N175 PolarHBondContact O-ND2 3.25Å
127P74.5Confident82.3Confident91 Ų9143.3 Ų43.359%0.59127%0.265SS*.  trans-53.9139-176.3-26.233.4000112.6E129 N175P127-E129 PolarHBondContact O-N 3.24Å; P127-N175 VanDerWaalsContact O-CB 3.31Å; P127-N175 WeakPolarHBondContact O-CB 3.36Å
128V82.6Confident81.9Confident44 Ų4446.1 Ų46.127%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-64.1122.7174.8-178.80000109P97 P120 D123 S126 Y131 A173 V174P97-V128 HydrophobicContact CB-CG2 4.05Å; P97-V128 HydrophobicContact CG-CG2 4.05Å; P120-V128 HydrophobicContact CG-CG2 3.78Å; D123-V128 HydrophobicContact CB-CG2 4.08Å; S126-V128 PolarHBondContact O-N 3.18Å; V128-Y131 HydrophobicContact CG1-CE1 4.18Å; V128-Y131 HydrophobicContact CG1-CE2 4.49Å; V128-A173 HydrophobicContact CG1-CB 4.21Å; V128-V174 CarbonylContact C-O 3.49Å
129E82.5Confident81.5Confident84 Ų8445.4 Ų45.439%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-90.8-25.3179.9-63.5-168.9151.200112P127 I150 V174 K176P127-E129 PolarHBondContact O-N 3.24Å; E129-I150 HydrophobicContact CB-CD1 3.81Å; E129-V174 PolarHBondContact N-O 3.32Å; E129-K176 HydrophobicContact CG-CG 4.47Å; E129-K176 WeakPolarHBondContact OE1-CE 3.48Å; E129-K176 WeakPolarHBondContact OE1-CG 3.5Å
130G81.9Confident81.3Confident1 Ų147.7 Ų47.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans169.4-162.8175.400000113.6Q151 V174G130-Q151 CarbonylContact C-O 3.59Å; G130-Q151 WeakPolarHBondContact CA-O 3.15Å; G130-V174 PolarHBondContact N-O 3.24Å; G130-V174 PolarHBondContact O-N 2.83Å
131Y87.8Confident80.9Confident11 Ų1149.4 Ų49.44%0.04331%0.313CS..EExtended strand (participates in β ladder)trans-134.8143.9-171.2-54.9-85.7000112.2P100 W117 P119 V128 N147 Q151 V171 C172 A173P100-Y131 HydrophobicContact CG-CD1 4.01Å; P100-Y131 HydrophobicContact CG-CE1 4.2Å; W117-Y131 AromaticContact CE2-CD2 3.99Å; W117-Y131 AromaticContact CE2-CG 3.84Å; W117-Y131 AromaticContact CZ2-CD2 3.85Å; W117-Y131 HydrophobicContact CZ2-CD2 3.85Å; W117-Y131 AromaticContact CZ2-CG 3.79Å; W117-Y131 HydrophobicContact CZ2-CG 3.79Å; W117-Y131 AromaticContact NE1-CD1 3.36Å; W117-Y131 AromaticContact NE1-CD2 3.47Å; W117-Y131 AromaticContact NE1-CE1 3.53Å; W117-Y131 AromaticContact NE1-CE2 3.68Å; W117-Y131 AromaticContact NE1-CG 3.36Å; W117-Y131 AromaticContact NE1-CZ 3.72Å; P119-Y131 WeakPolarHBondContact CA-OH 3.5Å; V128-Y131 HydrophobicContact CG1-CE1 4.18Å; V128-Y131 HydrophobicContact CG1-CE2 4.49Å; Y131-N147 PolarHBondContact O-ND2 2.95Å; Y131-Q151 VanDerWaalsContact CD2-O 3.24Å; Y131-Q151 WeakPolarHBondContact CD2-O 3.39Å; Y131-Q151 PolarHBondContact N-O 2.8Å; Y131-Q151 PolarHBondContact O-N 3.31Å; Y131-V171 HydrophobicContact CD1-CG1 4.11Å; Y131-V171 HydrophobicContact CG-CG1 4.31Å; Y131-C172 CarbonylContact C-O 3.49Å; Y131-C172 VanDerWaalsContact CA-O 3.26Å; Y131-C172 WeakPolarHBondContact CA-O 3.43Å; Y131-A173 HydrophobicContact CD1-CB 3.94Å; Y131-A173 HydrophobicContact CE1-CB 3.86Å
132Y89.9Confident81Confident40 Ų4051.2 Ų51.216%0.15731%0.31CS..EExtended strand (participates in β ladder)trans-103.8136163.8-70.5-56.8000110R145 N147 I150 V171 C172 V174 V179Y132-R145 HydrophobicContact CD1-CG 4.38Å; Y132-N147 WeakPolarHBondContact CA-OD1 3.38Å; Y132-I150 HydrophobicContact CD1-CG2 4.44Å; Y132-I150 HydrophobicContact CE1-CG2 3.77Å; Y132-I150 HydrophobicContact CE2-CG2 4.02Å; Y132-V171 CarbonylContact O-C 3.58Å; Y132-V171 WeakPolarHBondContact O-CA 3.49Å; Y132-V171 WeakPolarHBondContact O-CG1 3.31Å; Y132-C172 PolarHBondContact N-O 3.23Å; Y132-C172 PolarHBondContact O-N 3.36Å; Y132-V174 HydrophobicContact CD2-CG2 3.4Å; Y132-V174 HydrophobicContact CE2-CG2 3.55Å; Y132-V174 HydrophobicContact CG-CG2 4.26Å; Y132-V179 HydrophobicContact CD2-CG1 4.37Å; Y132-V179 HydrophobicContact CD2-CG2 3.97Å; Y132-V179 HydrophobicContact CE2-CG2 3.84Å
133V86.9Confident81.3Confident0 Ų052.5 Ų52.50%030%0.304CS..EExtended strand (participates in β ladder)trans-108.4133.4176.3-178.10000108.1L115 W117 C146 N147 F156 V158 V171L115-V133 HydrophobicContact CD1-CG1 3.59Å; W117-V133 HydrophobicContact CH2-CG2 3.77Å; W117-V133 HydrophobicContact CZ3-CG2 4.08Å; V133-C146 HydrophobicContact CB-CB 4.32Å; V133-C146 HydrophobicContact CG1-CB 4.34Å; V133-C146 WeakPolarHBondContact O-CB 3.15Å; V133-C146 PolarHBondContact O-N 2.83Å; V133-N147 PolarHBondContact N-OD1 3.3Å; V133-F156 HydrophobicContact CB-CD1 4.02Å; V133-F156 HydrophobicContact CB-CE1 4.39Å; V133-F156 HydrophobicContact CG1-CD1 4.1Å; V133-F156 HydrophobicContact CG2-CB 4.01Å; V133-F156 HydrophobicContact CG2-CD1 3.84Å; V133-F156 HydrophobicContact CG2-CG 4Å; V133-V158 HydrophobicContact CG1-CG2 3.89Å; V133-V171 HydrophobicContact CG2-CG1 4.46Å; V133-V171 HydrophobicContact CG2-CG2 4.35Å
134E88.6Confident81.7Confident29 Ų2952 Ų5214%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-124.8143.6178.1-60.4-179.9158.500109.9W143 V144 F169 R170E134-W143 HydrophobicContact CB-CE3 3.89Å; E134-V144 CarbonylContact C-O 3.49Å; E134-V144 VanDerWaalsContact CA-O 3.25Å; E134-V144 WeakPolarHBondContact CA-O 3.46Å; E134-F169 WeakPolarHBondContact O-CA 3.42Å; E134-R170 HydrophobicContact CB-CG 4.06Å; E134-R170 PolarHBondContact N-O 3.05Å; E134-R170 PolarHBondContact O-N 2.9Å; E134-R170 IonicContact OE2-CZ 3.93Å; E134-R170 IonicContact OE2-NE 3.97Å; E134-R170 PolarHBondContact OE2-NE 2.96Å; E134-R170 IonicContact OE2-NH2 2.85Å; E134-R170 PolarHBondContact OE2-NH2 3.28Å
135R90.5Very high82.4Confident57 Ų5756.9 Ų56.922%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-118.5148.6175.268.7-179.5173.773.20.3110.4W143 V144 C146 Y167 Q168 F169R135-W143 WeakPolarHBondContact O-CA 3.34Å; R135-V144 HydrophobicContact CG-CB 4.48Å; R135-V144 PolarHBondContact N-O 3.23Å; R135-V144 PolarHBondContact O-N 2.77Å; R135-C146 VanDerWaalsContact CG-SG 3.55Å; R135-Y167 HydrophobicContact CB-CD1 4.41Å; R135-Q168 CarbonylContact C-O 3.52Å; R135-Q168 WeakPolarHBondContact CA-O 3.43Å; R135-F169 HydrophobicContact CB-CD1 3.71Å; R135-F169 HydrophobicContact CB-CE1 3.64Å
136C89.6Confident83.1Confident5 Ų554.8 Ų54.83%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-126.7115.6173-176.80000108.7L138 E142 W143 Y167 Q168C136-L138 PolarHBondContact O-N 3.47Å; C136-E142 WeakPolarHBondContact CA-O 3.38Å; C136-W143 HydrophobicContact CB-CD2 3.69Å; C136-W143 HydrophobicContact CB-CE3 3.72Å; C136-W143 HydrophobicContact CB-CG 4.27Å; C136-W143 HydrophobicContact CB-CH2 3.97Å; C136-W143 HydrophobicContact CB-CZ2 3.93Å; C136-W143 HydrophobicContact CB-CZ3 3.86Å; C136-Y167 CarbonylContact O-C 3.42Å; C136-Y167 VanDerWaalsContact O-CA 3.28Å; C136-Y167 WeakPolarHBondContact O-CA 3.47Å; C136-Q168 HydrophobicContact CB-CB 4.49Å; C136-Q168 PolarHBondContact N-O 2.95Å; C136-Q168 PolarHBondContact O-N 3.04Å
137D88.2Confident83.5Confident4 Ų454.1 Ų54.12%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-72117169.2-170.3-38.8000107.7S139 Q140 G141 K162 Y167D137-S139 VanDerWaalsContact CG-OG 3.31Å; D137-S139 PolarHBondContact O-N 3.19Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.37Å; D137-S139 PolarHBondContact OD1-N 2.84Å; D137-S139 PolarHBondContact OD1-OG 3.04Å; D137-Q140 HydrophobicContact CB-CB 4.23Å; D137-Q140 HydrophobicContact CB-CG 4.28Å; D137-Q140 PolarHBondContact O-N 2.95Å; D137-G141 PolarHBondContact O-N 3.09Å; D137-K162 IonicContact OD2-NZ 3.04Å; D137-Y167 HydrophobicContact CB-CD1 4.08Å; D137-Y167 HydrophobicContact CB-CE1 3.48Å; D137-Y167 VanDerWaalsContact CB-CE1 3.48Å; D137-Y167 PolarHBondContact OD2-OH 2.93Å
138L82.9Confident83.1Confident72 Ų7254.6 Ų54.638%0.37729%0.285SS..THydrogen-bonded Turntrans-65.6-17.5-175.5-70.2-170.9000113.7C136 Q140 L166 Q168 P188C136-L138 PolarHBondContact O-N 3.47Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-L166 HydrophobicContact CB-CB 4.22Å; L138-L166 HydrophobicContact CD1-CB 3.94Å; L138-L166 HydrophobicContact CG-CB 4.29Å; L138-L166 PolarHBondContact N-O 2.87Å; L138-Q168 HydrophobicContact CD1-CG 4.49Å; L138-Q168 HydrophobicContact CD2-CG 3.99Å; L138-Q168 HydrophobicContact CG-CG 4.45Å; L138-P188 HydrophobicContact CD1-CB 3.64Å; L138-P188 HydrophobicContact CD1-CG 3.75Å
139S77.9Confident82.7Confident98 Ų9857.7 Ų57.769%0.68530%0.3SS*.THydrogen-bonded Turntrans-75.5-24.117270.80000113.1D137D137-S139 VanDerWaalsContact CG-OG 3.31Å; D137-S139 PolarHBondContact O-N 3.19Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.37Å; D137-S139 PolarHBondContact OD1-N 2.84Å; D137-S139 PolarHBondContact OD1-OG 3.04Å
140Q80.4Confident82.5Confident123 Ų12355.9 Ų55.958%0.57529%0.292SS*.THydrogen-bonded Turntrans-109.3-28.2-175.8-57.6-171-28.400113.1D137 L138 E142D137-Q140 HydrophobicContact CB-CB 4.23Å; D137-Q140 HydrophobicContact CB-CG 4.28Å; D137-Q140 PolarHBondContact O-N 2.95Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-E142 VanDerWaalsContact C-N 3.26Å; Q140-E142 PolarHBondContact O-N 3.32Å
141G78.4Confident82.3Confident51 Ų5156.5 Ų56.553%0.52630%0.295SS..  trans74.73.2174.600000116D137D137-G141 PolarHBondContact O-N 3.09Å
142E85.4Confident81.9Confident140 Ų14063.9 Ų63.965%0.65433%0.327SS*.  trans-98.9135.7-178.8-66.3-168.615800112.4C136 Q140C136-E142 WeakPolarHBondContact CA-O 3.38Å; Q140-E142 VanDerWaalsContact C-N 3.26Å; Q140-E142 PolarHBondContact O-N 3.32Å
143W86.3Confident81.2Confident80 Ų8064.5 Ų64.530%0.30333%0.333SS..EExtended strand (participates in β ladder)trans-82.4121.1174-71.992.3000110.5E134 R135 C136 Q168 R170 A185E134-W143 HydrophobicContact CB-CE3 3.89Å; R135-W143 WeakPolarHBondContact O-CA 3.34Å; C136-W143 HydrophobicContact CB-CD2 3.69Å; C136-W143 HydrophobicContact CB-CE3 3.72Å; C136-W143 HydrophobicContact CB-CG 4.27Å; C136-W143 HydrophobicContact CB-CH2 3.97Å; C136-W143 HydrophobicContact CB-CZ2 3.93Å; C136-W143 HydrophobicContact CB-CZ3 3.86Å; W143-Q168 HydrophobicContact CH2-CB 3.9Å; W143-Q168 HydrophobicContact CZ2-CB 4.48Å; W143-Q168 WeakPolarHBondContact CZ3-O 3.46Å; W143-R170 HydrophobicContact CD2-CG 4.41Å; W143-R170 HydrophobicContact CE3-CG 3.74Å; W143-R170 HydrophobicContact CH2-CB 4.08Å; W143-R170 HydrophobicContact CH2-CG 3.95Å; W143-R170 HydrophobicContact CZ3-CB 3.95Å; W143-R170 HydrophobicContact CZ3-CG 3.49Å; W143-R170 VanDerWaalsContact CZ3-CG 3.49Å; W143-A185 HydrophobicContact CH2-CB 3.77Å; W143-A185 HydrophobicContact CZ2-CB 4Å
144V82.9Confident81Confident58 Ų5866.1 Ų66.135%0.35234%0.344SS..EExtended strand (participates in β ladder)trans-117.9132.2-179.4-176.20000109.3E134 R135E134-V144 CarbonylContact C-O 3.49Å; E134-V144 VanDerWaalsContact CA-O 3.25Å; E134-V144 WeakPolarHBondContact CA-O 3.46Å; R135-V144 HydrophobicContact CG-CB 4.48Å; R135-V144 PolarHBondContact N-O 3.23Å; R135-V144 PolarHBondContact O-N 2.77Å
145R84.4Confident80.6Confident127 Ų12765.5 Ų65.548%0.47934%0.341SS..EExtended strand (participates in β ladder)trans-69.1135.8174.9-172.9-178.5-64.5167.51.9110.7Y132 N147Y132-R145 HydrophobicContact CD1-CG 4.38Å; R145-N147 WeakPolarHBondContact CD-O 3.46Å; R145-N147 WeakPolarHBondContact CG-O 3.09Å
146C76.9Confident80.1Confident18 Ų1863 Ų6312%0.12233%0.331CS..  trans-96-35.4-175.6-56.10000113.1V133 R135 F156 V158V133-C146 HydrophobicContact CB-CB 4.32Å; V133-C146 HydrophobicContact CG1-CB 4.34Å; V133-C146 WeakPolarHBondContact O-CB 3.15Å; V133-C146 PolarHBondContact O-N 2.83Å; R135-C146 VanDerWaalsContact CG-SG 3.55Å; C146-F156 HydrophobicContact CB-CE1 3.93Å; C146-V158 HydrophobicContact CB-CG1 4.11Å; C146-V158 HydrophobicContact CB-CG2 4.38Å
147N74.3Confident79.6Confident3 Ų362.8 Ų62.82%0.01633%0.33CS..  trans-108.4137179.858.3-50.4000111.9Y131 Y132 V133 R145 D149 F156Y131-N147 PolarHBondContact O-ND2 2.95Å; Y132-N147 WeakPolarHBondContact CA-OD1 3.38Å; V133-N147 PolarHBondContact N-OD1 3.3Å; R145-N147 WeakPolarHBondContact CD-O 3.46Å; R145-N147 WeakPolarHBondContact CG-O 3.09Å; N147-D149 PolarHBondContact ND2-O 2.77Å; N147-F156 HydrophobicContact CB-CE1 4.39Å; N147-F156 HydrophobicContact CB-CE2 3.82Å; N147-F156 HydrophobicContact CB-CZ 3.65Å
148V66.9Low79.3Confident102 Ų10262.7 Ų62.762%0.61833%0.33SS*.SBendtrans-74.5-50.7177.5-178.50000110.7
149D73.9Confident78.9Confident108 Ų10861.3 Ų61.358%0.57832%0.321SS*.SBendtrans-96.5154.3176.7-73.2-39.6000112.4N147 Q151N147-D149 PolarHBondContact ND2-O 2.77Å; D149-Q151 PolarHBondContact O-N 2.8Å
150I77.7Confident78.6Confident46 Ų4659.8 Ų59.824%0.23632%0.321CS..PPolyproline II helixtrans-62.1125.1178.557.4176.2000111.4E129 Y132 K152 V174E129-I150 HydrophobicContact CB-CD1 3.81Å; Y132-I150 HydrophobicContact CD1-CG2 4.44Å; Y132-I150 HydrophobicContact CE1-CG2 3.77Å; Y132-I150 HydrophobicContact CE2-CG2 4.02Å; I150-K152 PolarHBondContact O-N 2.87Å; I150-V174 HydrophobicContact CG2-CB 4.27Å; I150-V174 HydrophobicContact CG2-CG1 4.38Å; I150-V174 HydrophobicContact CG2-CG2 4.14Å
151Q78.8Confident78.6Confident14 Ų1454.4 Ų54.47%0.06530%0.296CS..BIsolated β-bridgetrans-76.4124.4178178.565.5-16.200109.6W117 G130 Y131 D149 I153 H155 F156W117-Q151 HydrophobicContact CH2-CG 4.21Å; W117-Q151 HydrophobicContact CZ2-CG 4.28Å; G130-Q151 CarbonylContact C-O 3.59Å; G130-Q151 WeakPolarHBondContact CA-O 3.15Å; Y131-Q151 VanDerWaalsContact CD2-O 3.24Å; Y131-Q151 WeakPolarHBondContact CD2-O 3.39Å; Y131-Q151 PolarHBondContact N-O 2.8Å; Y131-Q151 PolarHBondContact O-N 3.31Å; D149-Q151 PolarHBondContact O-N 2.8Å; Q151-I153 HydrophobicContact CG-CG1 4.39Å; Q151-I153 WeakPolarHBondContact CG-O 3.44Å; Q151-H155 PolarHBondContact NE2-O 2.94Å; Q151-F156 HydrophobicContact CB-CD2 4.46Å; Q151-F156 HydrophobicContact CG-CB 4.44Å; Q151-F156 HydrophobicContact CG-CD2 4.08Å
152K78.9Confident78.7Confident166 Ų16657.2 Ų57.272%0.72229%0.293SS*.  trans-88.3-18.8-173.2-64.8-175.5179.2176.50114.5I150I150-K152 PolarHBondContact O-N 2.87Å
153I75.6Confident78.4Confident53 Ų5356.8 Ų56.827%0.27229%0.291SS..SBendtrans-110.3153.6-177.259-171.7000110.2W117 Q151 H155 T257 V280W117-I153 WeakPolarHBondContact CZ2-O 3.33Å; Q151-I153 HydrophobicContact CG-CG1 4.39Å; Q151-I153 WeakPolarHBondContact CG-O 3.44Å; I153-H155 VanDerWaalsContact CD1-CE1 3.49Å; I153-H155 WeakPolarHBondContact CD1-CE1 3.4Å; I153-H155 VanDerWaalsContact CD1-NE2 3.35Å; I153-H155 WeakPolarHBondContact CD1-NE2 3.42Å; I153-H155 PolarHBondContact O-N 2.77Å; I153-T257 HydrophobicContact CD1-CG2 4.14Å; I153-V280 HydrophobicContact CD1-CG1 4.42Å
154C82.4Confident77.9Confident34 Ų3455.4 Ų55.423%0.2330%0.302CS..SBendtrans-86.637.7-170.4-59.80000114.4W117W117-C154 HydrophobicContact CD2-CB 4.39Å; W117-C154 VanDerWaalsContact CE2-CA 3.5Å; W117-C154 HydrophobicContact CG-CB 4.21Å; W117-C154 PolarHBondContact N-O 2.94Å; W117-C154 WeakPolarHBondContact O-CB 3.17Å
155H80.8Confident77.8Confident17 Ų1753.5 Ų53.58%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-150.3150.9171.959.1-93.6000110.1F114 L115 T116 Q151 I153F114-H155 HydrophobicContact CE1-CB 4.2Å; F114-H155 HydrophobicContact CZ-CB 3.85Å; F114-H155 AromaticContact CZ-CD2 3.65Å; F114-H155 AromaticContact CZ-CG 4Å; L115-H155 CarbonylContact O-C 3.59Å; L115-H155 WeakPolarHBondContact O-CA 2.99Å; L115-H155 WeakPolarHBondContact O-CB 3.42Å; T116-H155 HydrophobicContact CG2-CB 3.86Å; Q151-H155 PolarHBondContact NE2-O 2.94Å; I153-H155 VanDerWaalsContact CD1-CE1 3.49Å; I153-H155 WeakPolarHBondContact CD1-CE1 3.4Å; I153-H155 VanDerWaalsContact CD1-NE2 3.35Å; I153-H155 WeakPolarHBondContact CD1-NE2 3.42Å; I153-H155 PolarHBondContact O-N 2.77Å
156F79.9Confident77.8Confident3 Ų351.2 Ų51.21%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-159.9124.7-178.5-174.2-98.7000111.7L115 W117 V133 C146 N147 Q151 V158L115-F156 PolarHBondContact N-O 3.03Å; L115-F156 PolarHBondContact O-N 3.2Å; W117-F156 HydrophobicContact CH2-CB 3.55Å; W117-F156 HydrophobicContact CZ3-CB 3.71Å; V133-F156 HydrophobicContact CB-CD1 4.02Å; V133-F156 HydrophobicContact CB-CE1 4.39Å; V133-F156 HydrophobicContact CG1-CD1 4.1Å; V133-F156 HydrophobicContact CG2-CB 4.01Å; V133-F156 HydrophobicContact CG2-CD1 3.84Å; V133-F156 HydrophobicContact CG2-CG 4Å; C146-F156 HydrophobicContact CB-CE1 3.93Å; N147-F156 HydrophobicContact CB-CE1 4.39Å; N147-F156 HydrophobicContact CB-CE2 3.82Å; N147-F156 HydrophobicContact CB-CZ 3.65Å; Q151-F156 HydrophobicContact CB-CD2 4.46Å; Q151-F156 HydrophobicContact CG-CB 4.44Å; Q151-F156 HydrophobicContact CG-CD2 4.08Å; F156-V158 HydrophobicContact CD1-CG2 3.85Å; F156-V158 HydrophobicContact CE1-CG2 4.04Å
157P79.4Confident78.4Confident2 Ų250.5 Ų50.51%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-77.9129.5165.426.4-24.5000110.5V113 F114 F159 Y259 V309V113-P157 CarbonylContact O-C 3.48Å; V113-P157 WeakPolarHBondContact O-CA 3.27Å; F114-P157 HydrophobicContact CD2-CB 3.77Å; F114-P157 HydrophobicContact CD2-CG 4.22Å; F114-P157 HydrophobicContact CE2-CB 4.3Å; F114-P157 HydrophobicContact CE2-CG 4.25Å; P157-F159 HydrophobicContact CB-CD2 4.23Å; P157-F159 HydrophobicContact CB-CE1 4.48Å; P157-F159 HydrophobicContact CB-CE2 3.59Å; P157-F159 HydrophobicContact CB-CZ 3.72Å; P157-F159 HydrophobicContact CG-CD2 4.37Å; P157-F159 HydrophobicContact CG-CE2 3.51Å; P157-F159 HydrophobicContact CG-CZ 3.91Å; P157-Y259 HydrophobicContact CG-CD2 4Å; P157-Y259 HydrophobicContact CG-CE2 3.25Å; P157-V309 HydrophobicContact CB-CG2 4.13Å; P157-V309 HydrophobicContact CG-CG2 4.33Å
158V80.5Confident79.2Confident2 Ų252.6 Ų52.61%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-95.5113.2170.4-175.20000108.4Y112 V113 L115 V133 C146 F156 L161 F169Y112-V158 CarbonylContact C-O 3.54Å; Y112-V158 WeakPolarHBondContact CA-O 3.11Å; Y112-V158 WeakPolarHBondContact CB-O 3.21Å; V113-V158 PolarHBondContact N-O 3.44Å; V113-V158 PolarHBondContact O-N 2.71Å; L115-V158 HydrophobicContact CD1-CG2 3.86Å; V133-V158 HydrophobicContact CG1-CG2 3.89Å; C146-V158 HydrophobicContact CB-CG1 4.11Å; C146-V158 HydrophobicContact CB-CG2 4.38Å; F156-V158 HydrophobicContact CD1-CG2 3.85Å; F156-V158 HydrophobicContact CE1-CG2 4.04Å; V158-L161 HydrophobicContact CG1-CD2 3.98Å; V158-L161 HydrophobicContact CG1-CG 4.49Å; V158-F169 HydrophobicContact CB-CE1 4.07Å; V158-F169 HydrophobicContact CG1-CE1 4.01Å; V158-F169 HydrophobicContact CG2-CD1 4.09Å; V158-F169 HydrophobicContact CG2-CE1 4.02Å
159F75.1Confident80.4Confident43 Ų4347.8 Ų47.819%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-98.2171.5178.7-65.7-77.8000112.6Y112 P157 Y259 L274Y112-F159 HydrophobicContact CD1-CE1 4.3Å; Y112-F159 HydrophobicContact CG-CD1 4.4Å; Y112-F159 HydrophobicContact CG-CE1 4.12Å; P157-F159 HydrophobicContact CB-CD2 4.23Å; P157-F159 HydrophobicContact CB-CE1 4.48Å; P157-F159 HydrophobicContact CB-CE2 3.59Å; P157-F159 HydrophobicContact CB-CZ 3.72Å; P157-F159 HydrophobicContact CG-CD2 4.37Å; P157-F159 HydrophobicContact CG-CE2 3.51Å; P157-F159 HydrophobicContact CG-CZ 3.91Å; F159-Y259 AromaticContact CE2-CD2 3.55Å; F159-Y259 HydrophobicContact CE2-CD2 3.55Å; F159-Y259 AromaticContact CE2-CE2 3.66Å; F159-Y259 HydrophobicContact CE2-CE2 3.66Å; F159-Y259 HydrophobicContact CE2-CG 4.2Å; F159-Y259 AromaticContact CZ-CD2 3.94Å; F159-Y259 HydrophobicContact CZ-CD2 3.94Å; F159-Y259 HydrophobicContact CZ-CE2 4.38Å; F159-L274 HydrophobicContact CD2-CD2 4.43Å
160G70.9Confident81.3Confident66 Ų6645.5 Ų45.568%0.6825%0.248SC*.  trans75.828.1174.400000113.3D111D111-G160 PolarHBondContact O-N 3.49Å
161L80.8Confident81.9Confident10 Ų1043.3 Ų43.35%0.05224%0.237CC..PPolyproline II helixtrans-82.5154.1177.9-56.4177.1000110.5V113 V158 Y167 F169 T191V113-L161 HydrophobicContact CB-CD1 3.82Å; V113-L161 HydrophobicContact CG2-CD1 3.47Å; V113-L161 VanDerWaalsContact CG2-CD1 3.47Å; V158-L161 HydrophobicContact CG1-CD2 3.98Å; V158-L161 HydrophobicContact CG1-CG 4.49Å; L161-Y167 HydrophobicContact CB-CE2 4.08Å; L161-Y167 HydrophobicContact CD2-CD1 4.28Å; L161-Y167 HydrophobicContact CD2-CD2 4.11Å; L161-Y167 HydrophobicContact CD2-CE1 4.22Å; L161-Y167 HydrophobicContact CD2-CE2 4.01Å; L161-Y167 HydrophobicContact CD2-CG 4.25Å; L161-F169 HydrophobicContact CD1-CZ 4.18Å; L161-T191 HydrophobicContact CB-CG2 3.83Å; L161-T191 HydrophobicContact CD1-CG2 3.51Å; L161-T191 HydrophobicContact CG-CG2 4.24Å
162K80.4Confident82.4Confident110 Ų11043 Ų4348%0.47824%0.235SC..PPolyproline II helixtrans-87.2124.7178.2-68.2173-173.3164.50110D137 G164 A165 T191D137-K162 IonicContact OD2-NZ 3.04Å; K162-G164 PolarHBondContact O-N 2.75Å; K162-A165 HydrophobicContact CB-CB 3.89Å; K162-A165 WeakPolarHBondContact O-CB 3.4Å; K162-A165 PolarHBondContact O-N 3.39Å; K162-A165 VanDerWaalsContact O-N 3.1Å; K162-T191 PolarHBondContact O-OG1 2.78Å
163E79.8Confident82.8Confident130 Ų13035 Ų3561%0.60720%0.201SC*.THydrogen-bonded Turntrans-53.7129.3172.3-174.6173.7-174.500111K110 T191K110-E163 HydrophobicContact CB-CB 4.1Å; K110-E163 HydrophobicContact CB-CG 3.78Å; E163-T191 CarbonylContact C-O 3.51Å; E163-T191 VanDerWaalsContact CA-O 3.31Å; E163-T191 WeakPolarHBondContact CA-O 3.07Å
164G75.8Confident83.3Confident51 Ų5133.1 Ų33.153%0.52619%0.192SC..THydrogen-bonded Turntrans812.4-178.900000116.2K162 L190 T191K162-G164 PolarHBondContact O-N 2.75Å; G164-L190 WeakPolarHBondContact O-CD1 3.3Å; G164-T191 PolarHBondContact N-O 3.21Å
165A81.2Confident83.3Confident18 Ų1831.7 Ų31.715%0.14918%0.182CC..  trans-90.4157.1178.100000112.9K162 Y167 L190 T191K162-A165 HydrophobicContact CB-CB 3.89Å; K162-A165 WeakPolarHBondContact O-CB 3.4Å; K162-A165 PolarHBondContact O-N 3.39Å; K162-A165 VanDerWaalsContact O-N 3.1Å; A165-Y167 HydrophobicContact CB-CD2 4.36Å; A165-Y167 HydrophobicContact CB-CE2 3.67Å; A165-L190 WeakPolarHBondContact O-CA 3.29Å; A165-T191 PolarHBondContact O-N 3.31Å; A165-T191 PolarHBondContact O-OG1 3.45Å
166L84.9Confident82.9Confident79 Ų7938.5 Ų38.541%0.41421%0.211SC..EExtended strand (participates in β ladder)trans-102.7125.4176.7-79.2162.9000110.6L138 P188 V189 L190L138-L166 HydrophobicContact CB-CB 4.22Å; L138-L166 HydrophobicContact CD1-CB 3.94Å; L138-L166 HydrophobicContact CG-CB 4.29Å; L138-L166 PolarHBondContact N-O 2.87Å; L166-P188 HydrophobicContact CD2-CB 4.14Å; L166-V189 CarbonylContact C-O 3.53Å; L166-V189 WeakPolarHBondContact CA-O 3.35Å; L166-L190 HydrophobicContact CD2-CB 3.93Å; L166-L190 HydrophobicContact CD2-CD1 4.32Å; L166-L190 HydrophobicContact CG-CD1 4.21Å
167Y89Confident82.3Confident3 Ų340.9 Ų40.91%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-120.1145.1179.1-71.9-83.7000112.5R135 C136 D137 L161 A165 F169 P188 V189 T191R135-Y167 HydrophobicContact CB-CD1 4.41Å; C136-Y167 CarbonylContact O-C 3.42Å; C136-Y167 VanDerWaalsContact O-CA 3.28Å; C136-Y167 WeakPolarHBondContact O-CA 3.47Å; D137-Y167 HydrophobicContact CB-CD1 4.08Å; D137-Y167 HydrophobicContact CB-CE1 3.48Å; D137-Y167 VanDerWaalsContact CB-CE1 3.48Å; D137-Y167 PolarHBondContact OD2-OH 2.93Å; L161-Y167 HydrophobicContact CB-CE2 4.08Å; L161-Y167 HydrophobicContact CD2-CD1 4.28Å; L161-Y167 HydrophobicContact CD2-CD2 4.11Å; L161-Y167 HydrophobicContact CD2-CE1 4.22Å; L161-Y167 HydrophobicContact CD2-CE2 4.01Å; L161-Y167 HydrophobicContact CD2-CG 4.25Å; A165-Y167 HydrophobicContact CB-CD2 4.36Å; A165-Y167 HydrophobicContact CB-CE2 3.67Å; Y167-F169 VanDerWaalsContact CB-CZ 3.48Å; Y167-F169 HydrophobicContact CG-CZ 4.25Å; Y167-P188 WeakPolarHBondContact O-CA 3.45Å; Y167-V189 PolarHBondContact N-O 3.49Å; Y167-V189 PolarHBondContact O-N 3.02Å; Y167-T191 HydrophobicContact CD2-CG2 3.73Å; Y167-T191 HydrophobicContact CE2-CG2 4.26Å
168Q89.8Confident81.8Confident48 Ų4842 Ų4222%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-111.3148.7162.1-71.7-173-58.700110.4R135 C136 L138 W143 T186 P188R135-Q168 CarbonylContact C-O 3.52Å; R135-Q168 WeakPolarHBondContact CA-O 3.43Å; C136-Q168 HydrophobicContact CB-CB 4.49Å; C136-Q168 PolarHBondContact N-O 2.95Å; C136-Q168 PolarHBondContact O-N 3.04Å; L138-Q168 HydrophobicContact CD1-CG 4.49Å; L138-Q168 HydrophobicContact CD2-CG 3.99Å; L138-Q168 HydrophobicContact CG-CG 4.45Å; W143-Q168 HydrophobicContact CH2-CB 3.9Å; W143-Q168 HydrophobicContact CZ2-CB 4.48Å; W143-Q168 WeakPolarHBondContact CZ3-O 3.46Å; Q168-T186 PolarHBondContact NE2-O 3.06Å; Q168-P188 HydrophobicContact CG-CB 4.39Å; Q168-P188 HydrophobicContact CG-CG 4.04Å
169F92.9Very high81.8Confident0 Ų045.6 Ų45.60%027%0.265CS..EExtended strand (participates in β ladder)trans-125.3148.3-177.9-55.8-85.2000111.6V105 V113 L115 E134 R135 V158 L161 Y167 A185 T186 V189V105-F169 HydrophobicContact CG2-CD2 4.46Å; V113-F169 HydrophobicContact CB-CE1 4.45Å; V113-F169 HydrophobicContact CB-CE2 4.01Å; V113-F169 HydrophobicContact CB-CZ 3.74Å; V113-F169 HydrophobicContact CG1-CD2 4.19Å; V113-F169 HydrophobicContact CG1-CE2 3.65Å; V113-F169 HydrophobicContact CG1-CZ 3.88Å; V113-F169 HydrophobicContact CG2-CE2 3.99Å; V113-F169 HydrophobicContact CG2-CZ 3.81Å; L115-F169 HydrophobicContact CD1-CB 3.6Å; L115-F169 HydrophobicContact CD1-CD1 3.88Å; L115-F169 HydrophobicContact CD1-CG 3.81Å; L115-F169 HydrophobicContact CD2-CB 3.9Å; L115-F169 HydrophobicContact CD2-CD2 4.14Å; L115-F169 HydrophobicContact CD2-CG 4.02Å; L115-F169 HydrophobicContact CG-CB 4.4Å; L115-F169 HydrophobicContact CG-CG 4.42Å; E134-F169 WeakPolarHBondContact O-CA 3.42Å; R135-F169 HydrophobicContact CB-CD1 3.71Å; R135-F169 HydrophobicContact CB-CE1 3.64Å; V158-F169 HydrophobicContact CB-CE1 4.07Å; V158-F169 HydrophobicContact CG1-CE1 4.01Å; V158-F169 HydrophobicContact CG2-CD1 4.09Å; V158-F169 HydrophobicContact CG2-CE1 4.02Å; L161-F169 HydrophobicContact CD1-CZ 4.18Å; Y167-F169 VanDerWaalsContact CB-CZ 3.48Å; Y167-F169 HydrophobicContact CG-CZ 4.25Å; F169-A185 CarbonylContact O-C 3.5Å; F169-A185 VanDerWaalsContact O-CA 3.27Å; F169-A185 WeakPolarHBondContact O-CA 3.25Å; F169-T186 HydrophobicContact CB-CG2 4.08Å; F169-T186 PolarHBondContact N-OG1 3.02Å; F169-T186 PolarHBondContact O-N 2.9Å; F169-V189 HydrophobicContact CE2-CB 4.21Å; F169-V189 HydrophobicContact CE2-CG2 4.44Å
170R92.3Very high82.2Confident61 Ų6144 Ų4423%0.2326%0.262CS..EExtended strand (participates in β ladder)trans-146.9155.3171.472.8-170.4-171.5-174.5-3.8110.8E134 W143 P182 S183E134-R170 HydrophobicContact CB-CG 4.06Å; E134-R170 PolarHBondContact N-O 3.05Å; E134-R170 PolarHBondContact O-N 2.9Å; E134-R170 IonicContact OE2-CZ 3.93Å; E134-R170 IonicContact OE2-NE 3.97Å; E134-R170 PolarHBondContact OE2-NE 2.96Å; E134-R170 IonicContact OE2-NH2 2.85Å; E134-R170 PolarHBondContact OE2-NH2 3.28Å; W143-R170 HydrophobicContact CD2-CG 4.41Å; W143-R170 HydrophobicContact CE3-CG 3.74Å; W143-R170 HydrophobicContact CH2-CB 4.08Å; W143-R170 HydrophobicContact CH2-CG 3.95Å; W143-R170 HydrophobicContact CZ3-CB 3.95Å; W143-R170 HydrophobicContact CZ3-CG 3.49Å; W143-R170 VanDerWaalsContact CZ3-CG 3.49Å; R170-P182 HydrophobicContact CG-CB 4.21Å; R170-S183 WeakPolarHBondContact CA-OG 3.42Å
171V91.8Very high82.8Confident0 Ų050.5 Ų50.50%027%0.266CS..EExtended strand (participates in β ladder)trans-124.6139.4-176.1-1710000110.4P100 V103 W117 Y131 Y132 V133 S183P100-V171 HydrophobicContact CB-CB 4.32Å; P100-V171 HydrophobicContact CB-CG1 4.37Å; P100-V171 WeakPolarHBondContact CD-O 3.08Å; P100-V171 HydrophobicContact CG-CB 4.14Å; P100-V171 HydrophobicContact CG-CG1 3.97Å; P100-V171 WeakPolarHBondContact CG-O 3.41Å; V103-V171 HydrophobicContact CG1-CG2 3.82Å; V103-V171 HydrophobicContact CG2-CB 4.13Å; V103-V171 HydrophobicContact CG2-CG2 3.96Å; W117-V171 HydrophobicContact CD2-CG1 4.07Å; W117-V171 HydrophobicContact CD2-CG2 4.14Å; W117-V171 HydrophobicContact CE3-CG2 3.93Å; W117-V171 HydrophobicContact CG-CG1 4.45Å; W117-V171 HydrophobicContact CZ2-CG1 4.11Å; W117-V171 HydrophobicContact CZ3-CG2 4.27Å; Y131-V171 HydrophobicContact CD1-CG1 4.11Å; Y131-V171 HydrophobicContact CG-CG1 4.31Å; Y132-V171 CarbonylContact O-C 3.58Å; Y132-V171 WeakPolarHBondContact O-CA 3.49Å; Y132-V171 WeakPolarHBondContact O-CG1 3.31Å; V133-V171 HydrophobicContact CG2-CG1 4.46Å; V133-V171 HydrophobicContact CG2-CG2 4.35Å; V171-S183 PolarHBondContact N-OG 2.77Å; V171-S183 PolarHBondContact O-N 2.84Å
172C88.8Confident83.1Confident6 Ų652.6 Ų52.64%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-118.5127.3176.8-57.30000109.6Y131 Y132 V179 P182Y131-C172 CarbonylContact C-O 3.49Å; Y131-C172 VanDerWaalsContact CA-O 3.26Å; Y131-C172 WeakPolarHBondContact CA-O 3.43Å; Y132-C172 PolarHBondContact N-O 3.23Å; Y132-C172 PolarHBondContact O-N 3.36Å; C172-V179 HydrophobicContact CB-CG1 3.55Å; C172-P182 VanDerWaalsContact SG-CA 3.57Å
173A86.4Confident83.7Confident0 Ų047.9 Ų47.90%026%0.261CS..EExtended strand (participates in β ladder)trans-80.4147.2172.600000111.1P97 P100 P120 V128 Y131 G180P97-A173 HydrophobicContact CB-CB 3.72Å; P97-A173 HydrophobicContact CG-CB 4.06Å; P100-A173 HydrophobicContact CG-CB 4.03Å; P120-A173 HydrophobicContact CG-CB 3.94Å; V128-A173 HydrophobicContact CG1-CB 4.21Å; Y131-A173 HydrophobicContact CD1-CB 3.94Å; Y131-A173 HydrophobicContact CE1-CB 3.86Å; A173-G180 PolarHBondContact O-N 2.92Å
174V86.5Confident84Confident13 Ų1350 Ų508%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-127.7131.5-176.9-169.80000109.2V128 E129 G130 Y132 I150 V179V128-V174 CarbonylContact C-O 3.49Å; E129-V174 PolarHBondContact N-O 3.32Å; G130-V174 PolarHBondContact N-O 3.24Å; G130-V174 PolarHBondContact O-N 2.83Å; Y132-V174 HydrophobicContact CD2-CG2 3.4Å; Y132-V174 HydrophobicContact CE2-CG2 3.55Å; Y132-V174 HydrophobicContact CG-CG2 4.26Å; I150-V174 HydrophobicContact CG2-CB 4.27Å; I150-V174 HydrophobicContact CG2-CG1 4.38Å; I150-V174 HydrophobicContact CG2-CG2 4.14Å; V174-V179 HydrophobicContact CG1-CG2 4.41Å; V174-V179 HydrophobicContact CG2-CG1 4.42Å; V174-V179 HydrophobicContact CG2-CG2 4.14Å
175N83.4Confident84.6Confident4 Ų449 Ų492%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-127-175.4167.768.68.4000109.6G95 P97 D123 S126 P127 A177 G178G95-N175 PolarHBondContact O-ND2 2.74Å; P97-N175 VanDerWaalsContact CD-CG 3.45Å; P97-N175 HydrophobicContact CG-CB 3.68Å; D123-N175 PolarHBondContact O-ND2 2.78Å; S126-N175 WeakPolarHBondContact O-CB 3.27Å; S126-N175 PolarHBondContact O-ND2 3.25Å; P127-N175 VanDerWaalsContact O-CB 3.31Å; P127-N175 WeakPolarHBondContact O-CB 3.36Å; N175-A177 PolarHBondContact O-N 3.38Å; N175-A177 VanDerWaalsContact O-N 3.08Å; N175-A177 WeakPolarHBondContact OD1-CA 3.48Å; N175-A177 VanDerWaalsContact OD1-CB 3.26Å; N175-A177 WeakPolarHBondContact OD1-CB 3.25Å; N175-A177 PolarHBondContact OD1-N 2.75Å; N175-G178 PolarHBondContact N-O 3.4Å; N175-G178 VanDerWaalsContact N-O 3.15Å; N175-G178 PolarHBondContact O-N 2.86Å; N175-G178 PolarHBondContact OD1-N 2.79Å; N175-G178 VanDerWaalsContact OD1-N 3.13Å; N175-G178 PolarHBondContact OD1-O 2.99Å
176K71.4Confident85Confident159 Ų15948.7 Ų48.769%0.69125%0.251SS*.THydrogen-bonded Turntrans-59-21177.5-63.6-177.2178.81800114.6E129E129-K176 HydrophobicContact CG-CG 4.47Å; E129-K176 WeakPolarHBondContact OE1-CE 3.48Å; E129-K176 WeakPolarHBondContact OE1-CG 3.5Å
177A66.9Low85Confident53 Ų5351.4 Ų51.444%0.43826%0.261SS..THydrogen-bonded Turntrans-85.3-16.8176.900000112.8P94 N175P94-A177 HydrophobicContact CB-CB 4.2Å; P94-A177 WeakPolarHBondContact O-CB 3.39Å; N175-A177 PolarHBondContact O-N 3.38Å; N175-A177 VanDerWaalsContact O-N 3.08Å; N175-A177 WeakPolarHBondContact OD1-CA 3.48Å; N175-A177 VanDerWaalsContact OD1-CB 3.26Å; N175-A177 WeakPolarHBondContact OD1-CB 3.25Å; N175-A177 PolarHBondContact OD1-N 2.75Å
178G69.5Low84.8Confident27 Ų2754.1 Ų54.128%0.27828%0.279SS..EExtended strand (participates in β ladder)trans130.8-165.5173.900000113.7N175N175-G178 PolarHBondContact N-O 3.4Å; N175-G178 VanDerWaalsContact N-O 3.15Å; N175-G178 PolarHBondContact O-N 2.86Å; N175-G178 PolarHBondContact OD1-N 2.79Å; N175-G178 VanDerWaalsContact OD1-N 3.13Å; N175-G178 PolarHBondContact OD1-O 2.99Å
179V80.8Confident84.6Confident76 Ų7652.9 Ų52.946%0.46128%0.275SS..EExtended strand (participates in β ladder)trans-78.5126.2-179.4-171.40000109.7Y132 C172 V174Y132-V179 HydrophobicContact CD2-CG1 4.37Å; Y132-V179 HydrophobicContact CD2-CG2 3.97Å; Y132-V179 HydrophobicContact CE2-CG2 3.84Å; C172-V179 HydrophobicContact CB-CG1 3.55Å; V174-V179 HydrophobicContact CG1-CG2 4.41Å; V174-V179 HydrophobicContact CG2-CG1 4.42Å; V174-V179 HydrophobicContact CG2-CG2 4.14Å
180G82.8Confident84.1Confident11 Ų1157.2 Ų57.211%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-71.5179.5173.500000113P97 A173P97-G180 WeakPolarHBondContact O-CA 3.44Å; A173-G180 PolarHBondContact O-N 2.92Å
181R83.1Confident83.4Confident202 Ų20254.3 Ų54.376%0.76229%0.287SS*.EExtended strand (participates in β ladder)trans-67.4144.1176.5-68.7-175.7-178.8-172.30.4110.5S99S99-R181 WeakPolarHBondContact CA-O 3.4Å; S99-R181 WeakPolarHBondContact OG-CB 3.26Å; S99-R181 PolarHBondContact OG-O 3.46Å; S99-R181 VanDerWaalsContact OG-O 3.1Å
182P87.8Confident82.5Confident53 Ų5355.8 Ų55.834%0.34430%0.299SS..EExtended strand (participates in β ladder)trans-62152.7173.923.5-31.3000111.4S99 R170 C172S99-P182 WeakPolarHBondContact CB-O 2.93Å; S99-P182 PolarHBondContact OG-O 3.29Å; R170-P182 HydrophobicContact CG-CB 4.21Å; C172-P182 VanDerWaalsContact SG-CA 3.57Å
183S91.9Very high81.2Confident12 Ų1258.4 Ų58.48%0.08431%0.312CS..PPolyproline II helixtrans-63.1168.4168.171.20000111.4V103 R170 V171 A185V103-S183 WeakPolarHBondContact CG2-OG 3.25Å; R170-S183 WeakPolarHBondContact CA-OG 3.42Å; V171-S183 PolarHBondContact N-OG 2.77Å; V171-S183 PolarHBondContact O-N 2.84Å; S183-A185 PolarHBondContact O-N 3.36Å
184K86.7Confident79.9Confident174 Ų17462.9 Ų62.976%0.75734%0.341SS*.PPolyproline II helixtrans-57.2136.1160.2-168.4-176.1172.4-165.20107.8
185A88.3Confident77.9Confident30 Ų3068.4 Ų68.425%0.24837%0.37CS..PPolyproline II helixtrans-63144.9173.400000109.8W143 F169 S183W143-A185 HydrophobicContact CH2-CB 3.77Å; W143-A185 HydrophobicContact CZ2-CB 4Å; F169-A185 CarbonylContact O-C 3.5Å; F169-A185 VanDerWaalsContact O-CA 3.27Å; F169-A185 WeakPolarHBondContact O-CA 3.25Å; S183-A185 PolarHBondContact O-N 3.36Å
186T90Very high76Confident11 Ų1177.6 Ų77.67%0.06741%0.413CS..PPolyproline II helixtrans-61.9162171.2640000110.4V103 V105 L115 Q168 F169V103-T186 HydrophobicContact CG1-CG2 3.91Å; V105-T186 HydrophobicContact CG2-CG2 4.15Å; L115-T186 HydrophobicContact CD2-CG2 4.39Å; Q168-T186 PolarHBondContact NE2-O 3.06Å; F169-T186 HydrophobicContact CB-CG2 4.08Å; F169-T186 PolarHBondContact N-OG1 3.02Å; F169-T186 PolarHBondContact O-N 2.9Å
187E84.8Confident74.2Confident137 Ų13776.8 Ų76.864%0.6441%0.411SS*.PPolyproline II helixtrans-59.8149.5162.5-62.3-56.4142.100109.7V189E187-V189 WeakPolarHBondContact O-CG2 3.42Å; E187-V189 PolarHBondContact O-N 3.19Å
188P85.1Confident72.6Confident59 Ų5980.2 Ų80.238%0.38343%0.427SS..PPolyproline II helixtrans-54128.5176.1-29.237.7000112.7L138 L166 Y167 Q168L138-P188 HydrophobicContact CD1-CB 3.64Å; L138-P188 HydrophobicContact CD1-CG 3.75Å; L166-P188 HydrophobicContact CD2-CB 4.14Å; Y167-P188 WeakPolarHBondContact O-CA 3.45Å; Q168-P188 HydrophobicContact CG-CB 4.39Å; Q168-P188 HydrophobicContact CG-CG 4.04Å
189V84.4Confident71.1Confident22 Ų2287.9 Ų87.913%0.13345%0.447CS..EExtended strand (participates in β ladder)trans-113.3126-178.6178.20000110.1V105 V108 V113 L166 Y167 F169 E187V105-V189 HydrophobicContact CB-CG2 4.33Å; V105-V189 HydrophobicContact CG1-CG1 4.43Å; V105-V189 HydrophobicContact CG1-CG2 4.32Å; V105-V189 HydrophobicContact CG2-CG2 3.68Å; V108-V189 HydrophobicContact CB-CG1 4.4Å; V108-V189 HydrophobicContact CG1-CG1 3.88Å; V108-V189 HydrophobicContact CG2-CG1 3.56Å; V113-V189 HydrophobicContact CG2-CG1 4.03Å; L166-V189 CarbonylContact C-O 3.53Å; L166-V189 WeakPolarHBondContact CA-O 3.35Å; Y167-V189 PolarHBondContact N-O 3.49Å; Y167-V189 PolarHBondContact O-N 3.02Å; F169-V189 HydrophobicContact CE2-CB 4.21Å; F169-V189 HydrophobicContact CE2-CG2 4.44Å; E187-V189 WeakPolarHBondContact O-CG2 3.42Å; E187-V189 PolarHBondContact O-N 3.19Å
190L83Confident68.7Low91 Ų9189.1 Ų89.148%0.47646%0.455SS..EExtended strand (participates in β ladder)trans-83.2120.6174.9-178.170.2000109.3V108 G164 A165 L166 A192V108-L190 WeakPolarHBondContact CG1-O 2.96Å; G164-L190 WeakPolarHBondContact O-CD1 3.3Å; A165-L190 WeakPolarHBondContact O-CA 3.29Å; L166-L190 HydrophobicContact CD2-CB 3.93Å; L166-L190 HydrophobicContact CD2-CD1 4.32Å; L166-L190 HydrophobicContact CG-CD1 4.21Å; L190-A192 HydrophobicContact CD2-CB 4.37Å; L190-A192 HydrophobicContact CG-CB 4.32Å; L190-A192 PolarHBondContact O-N 3Å; L190-A192 VanDerWaalsContact O-N 3.14Å
191T78.3Confident66.4Low0 Ų094 Ų940%048%0.476CS..  trans-85.283.3178.3440000110V113 L161 K162 E163 G164 A165 Y167V113-T191 HydrophobicContact CG2-CG2 3.77Å; L161-T191 HydrophobicContact CB-CG2 3.83Å; L161-T191 HydrophobicContact CD1-CG2 3.51Å; L161-T191 HydrophobicContact CG-CG2 4.24Å; K162-T191 PolarHBondContact O-OG1 2.78Å; E163-T191 CarbonylContact C-O 3.51Å; E163-T191 VanDerWaalsContact CA-O 3.31Å; E163-T191 WeakPolarHBondContact CA-O 3.07Å; G164-T191 PolarHBondContact N-O 3.21Å; A165-T191 PolarHBondContact O-N 3.31Å; A165-T191 PolarHBondContact O-OG1 3.45Å; Y167-T191 HydrophobicContact CD2-CG2 3.73Å; Y167-T191 HydrophobicContact CE2-CG2 4.26Å
192A72Confident64.1Low31 Ų3187.9 Ų87.926%0.25646%0.461SS..SBendtrans-130157.117400000109.1N109 K110 L190N109-A192 CarbonylContact C-O 3.56Å; K110-A192 PolarHBondContact N-O 2.79Å; L190-A192 HydrophobicContact CD2-CB 4.37Å; L190-A192 HydrophobicContact CG-CB 4.32Å; L190-A192 PolarHBondContact O-N 3Å; L190-A192 VanDerWaalsContact O-N 3.14Å
193D62.8Low61.6Low61 Ų6188.5 Ų88.533%0.32646%0.464SS..  trans-55.1135163.5-81.5-30.8000107.3N109 K110 L195N109-D193 PolarHBondContact OD1-OD1 2.79Å; N109-D193 VanDerWaalsContact OD1-OD1 3.09Å; K110-D193 WeakPolarHBondContact CD-OD2 3.49Å; K110-D193 WeakPolarHBondContact CE-OD2 3.37Å; K110-D193 WeakPolarHBondContact CG-OD1 3.41Å; K110-D193 IonicContact NZ-OD1 3.92Å; K110-D193 IonicContact NZ-OD2 2.78Å; K110-D193 PolarHBondContact NZ-OD2 2.92Å; D193-L195 PolarHBondContact O-N 3.39Å
194P58.8Low58.9Low94 Ų9494.7 Ų94.761%0.6149%0.492SS*.  trans-52.2112.7172.5-21.130.2000107.1E196P194-E196 PolarHBondContact O-N 2.85Å
195L44.3Very low56.5Low130 Ų13091.7 Ų91.768%0.68149%0.487SS*.  trans-45.6133.6168.8-81.1163.3000106.1D193 H197D193-L195 PolarHBondContact O-N 3.39Å; L195-H197 VanDerWaalsContact CB-CE1 3.45Å; L195-H197 WeakPolarHBondContact CB-CE1 3.32Å; L195-H197 WeakPolarHBondContact CB-NE2 3.13Å; L195-H197 PolarHBondContact O-N 3.09Å
196E44.3Very low53.8Low197 Ų19796 Ų9692%0.92151%0.507SS*.  trans-55.682.1172.9-76.1-167.3156.200109.2P194 T198P194-E196 PolarHBondContact O-N 2.85Å; E196-T198 VanDerWaalsContact C-N 3.28Å; E196-T198 PolarHBondContact O-N 2.59Å; E196-T198 VanDerWaalsContact O-N 3.1Å
197H33Very low51.2Low142 Ų142106.9 Ų106.966%0.65755%0.546SS*.  trans-88.185.4175.5-71.6-35.6000105L195 R199L195-H197 VanDerWaalsContact CB-CE1 3.45Å; L195-H197 WeakPolarHBondContact CB-CE1 3.32Å; L195-H197 WeakPolarHBondContact CB-NE2 3.13Å; L195-H197 PolarHBondContact O-N 3.09Å; H197-R199 PolarHBondContact O-N 3.2Å; H197-R199 VanDerWaalsContact O-N 3.08Å
198T33.5Very low49Very low124 Ų124103.7 Ų103.776%0.76155%0.55SS**  trans18.886.1150.6480000113E196 T200E196-T198 VanDerWaalsContact C-N 3.28Å; E196-T198 PolarHBondContact O-N 2.59Å; E196-T198 VanDerWaalsContact O-N 3.1Å; T198-T200 PolarHBondContact O-N 3.27Å
199R36.4Very low46.6Very low188 Ų188110.6 Ų110.671%0.70957%0.569SS**  trans-57.7104.2163.3-71.1175.7175.4168.81.8106.5H197 M201 T214H197-R199 PolarHBondContact O-N 3.2Å; H197-R199 VanDerWaalsContact O-N 3.08Å; R199-M201 PolarHBondContact O-N 3.05Å; R199-T214 HydrophobicContact CB-CG2 4.36Å
200T31.4Very low44.1Very low102 Ų102114.4 Ų114.463%0.62659%0.592SS**  trans-61.4104.5171.8-49.50000106.9T198 V202T198-T200 PolarHBondContact O-N 3.27Å; T200-V202 PolarHBondContact O-N 3.41Å
201M33.9Very low42Very low114 Ų114115 Ų11556%0.56259%0.594SS**EExtended strand (participates in β ladder)trans-69.6113.8173-62.8-172.5175.200107R199 V203 T212R199-M201 PolarHBondContact O-N 3.05Å; M201-V203 PolarHBondContact O-N 2.81Å; M201-T212 HydrophobicContact CB-CG2 3.95Å; M201-T212 HydrophobicContact CE-CG2 3.71Å; M201-T212 HydrophobicContact CG-CG2 3.48Å; M201-T212 VanDerWaalsContact CG-CG2 3.48Å; M201-T212 HydrophobicContact SD-CG2 3.24Å; M201-T212 WeakPolarHBondContact SD-CG2 3.37Å
202V34.6Very low40Very low73 Ų73118.1 Ų118.144%0.44261%0.614SS.*EExtended strand (participates in β ladder)trans-82.1105.1165.4-178.50000105.8T200 Q204 I213T200-V202 PolarHBondContact O-N 3.41Å; V202-Q204 PolarHBondContact O-N 2.8Å; V202-I213 PolarHBondContact N-O 2.91Å; V202-I213 VanDerWaalsContact N-O 3.13Å; V202-I213 PolarHBondContact O-N 2.99Å
203V36.3Very low38.5Very low67 Ų67118.8 Ų118.841%0.40661%0.613SS.*EExtended strand (participates in β ladder)trans-84.4106.6171.4175.40000107.1M201 V205 T210M201-V203 PolarHBondContact O-N 2.81Å; V203-V205 HydrophobicContact CG1-CG2 3.94Å; V203-T210 HydrophobicContact CB-CG2 4.44Å; V203-T210 HydrophobicContact CG1-CG2 3.59Å; V203-T210 HydrophobicContact CG2-CG2 3.98Å
204Q35.7Very low37.5Very low142 Ų142117 Ų11766%0.66460%0.604SS**EExtended strand (participates in β ladder)trans-88.6120.9160.3-102.7-169.4-36.900108.7V202 D206V202-Q204 PolarHBondContact O-N 2.8Å; Q204-D206 PolarHBondContact O-N 2.72Å
205V36.2Very low36.5Very low110 Ų110118.4 Ų118.467%0.66760%0.601SS**EExtended strand (participates in β ladder)trans-89.6104.7172.6-1770000106.9V203V203-V205 HydrophobicContact CG1-CG2 3.94Å
206D31.6Very low36.4Very low122 Ų122117 Ų11765%0.65259%0.594SS**EExtended strand (participates in β ladder)trans-113.9123.7157.7-16115.9000108.5Q204 G208 R209Q204-D206 PolarHBondContact O-N 2.72Å; D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact O-N 2.74Å; D206-R209 PolarHBondContact O-N 2.81Å
207R35.8Very low36.4Very low239 Ų239113.2 Ų113.290%0.90258%0.576SS**THydrogen-bonded Turntrans37.751.1172.9-63.7177.5-177.7-168.10.5115.9
208G38.2Very low36.8Very low70 Ų70112.2 Ų112.272%0.72258%0.575SS**THydrogen-bonded Turntrans83.88.2163.500000116.9D206D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact O-N 2.74Å
209R35.1Very low37Very low203 Ų203111.9 Ų111.977%0.76657%0.565SS**EExtended strand (participates in β ladder)trans-107.5124.9162.3-82-174.7176.5174.51110.7D206 I211D206-R209 PolarHBondContact O-N 2.81Å; R209-I211 PolarHBondContact O-N 2.91Å
210T30.4Very low37.3Very low102 Ų102106.4 Ų106.463%0.62657%0.567SS**EExtended strand (participates in β ladder)trans-77.5101.6168.5-540000107.7V203V203-T210 HydrophobicContact CB-CG2 4.44Å; V203-T210 HydrophobicContact CG1-CG2 3.59Å; V203-T210 HydrophobicContact CG2-CG2 3.98Å
211I39.8Very low37.9Very low103 Ų103108.7 Ų108.753%0.52857%0.57SS.*EExtended strand (participates in β ladder)trans-90.6117.7168.7-55.3178.6000107.3R209 I213R209-I211 PolarHBondContact O-N 2.91Å; I211-I213 HydrophobicContact CG2-CD1 4.23Å; I211-I213 HydrophobicContact CG2-CG1 3.7Å; I211-I213 PolarHBondContact O-N 2.86Å
212T36.5Very low38.8Very low66 Ų66107.1 Ų107.141%0.40557%0.567SS.*EExtended strand (participates in β ladder)trans-84.6104.9171.4-69.30000108.1M201M201-T212 HydrophobicContact CB-CG2 3.95Å; M201-T212 HydrophobicContact CE-CG2 3.71Å; M201-T212 HydrophobicContact CG-CG2 3.48Å; M201-T212 VanDerWaalsContact CG-CG2 3.48Å; M201-T212 HydrophobicContact SD-CG2 3.24Å; M201-T212 WeakPolarHBondContact SD-CG2 3.37Å
213I41Very low40.1Very low46 Ų46108.3 Ų108.324%0.23657%0.566CS.*EExtended strand (participates in β ladder)trans-103.4129.3170.9-52.1179.3000107.5V202 I211 E217 L218V202-I213 PolarHBondContact N-O 2.91Å; V202-I213 VanDerWaalsContact N-O 3.13Å; V202-I213 PolarHBondContact O-N 2.99Å; I211-I213 HydrophobicContact CG2-CD1 4.23Å; I211-I213 HydrophobicContact CG2-CG1 3.7Å; I211-I213 PolarHBondContact O-N 2.86Å; I213-E217 HydrophobicContact CG2-CB 3.88Å; I213-L218 HydrophobicContact CD1-CD1 4.31Å; I213-L218 HydrophobicContact CG2-CD1 3.91Å
214T40.1Very low41.4Very low24 Ų24106.6 Ų106.615%0.14756%0.559CS.*EExtended strand (participates in β ladder)trans-77.2141171.3580000108.8R199 D216 E217R199-T214 HydrophobicContact CB-CG2 4.36Å; T214-D216 PolarHBondContact O-N 2.82Å; T214-E217 PolarHBondContact N-OE2 2.82Å; T214-E217 PolarHBondContact O-N 3.44Å; T214-E217 VanDerWaalsContact OG1-CD 3.3Å; T214-E217 PolarHBondContact OG1-OE2 2.79Å
215K39.1Very low43.3Very low123 Ų123100.3 Ų100.354%0.53553%0.53SS..G310 helixtrans-49.9-30.3-176-167.1179.7175.9-170.50113.3E217 L218K215-E217 PolarHBondContact O-N 2.86Å; K215-L218 PolarHBondContact O-N 2.74Å
216D42Very low45.4Very low100 Ų10099.4 Ų99.454%0.53552%0.518SS..G310 helixtrans-74.9-21.4-178.1-50.2-29.5000114.2T214 L218T214-D216 PolarHBondContact O-N 2.82Å; D216-L218 VanDerWaalsContact C-N 3.34Å
217E43.8Very low47.8Very low117 Ų11795.7 Ų95.755%0.54750%0.5SS..G310 helixtrans-80.1-18.1176-75.4165.6147.500112.7I213 T214 K215I213-E217 HydrophobicContact CG2-CB 3.88Å; T214-E217 PolarHBondContact N-OE2 2.82Å; T214-E217 PolarHBondContact O-N 3.44Å; T214-E217 VanDerWaalsContact OG1-CD 3.3Å; T214-E217 PolarHBondContact OG1-OE2 2.79Å; K215-E217 PolarHBondContact O-N 2.86Å
218L40.8Very low50.2Low121 Ų12184.4 Ų84.463%0.63446%0.458SS*.THydrogen-bonded Turntrans-82.9-21.6179.1-136.591.7000113I213 K215 D216I213-L218 HydrophobicContact CD1-CD1 4.31Å; I213-L218 HydrophobicContact CG2-CD1 3.91Å; K215-L218 PolarHBondContact O-N 2.74Å; D216-L218 VanDerWaalsContact C-N 3.34Å
219E38.2Very low52.4Low117 Ų11785 Ų8555%0.54745%0.448SS..THydrogen-bonded Turntrans-106.50.1-166.1-68.4-176.7-174.400115Q221E219-Q221 PolarHBondContact O-N 2.75Å
220G43.5Very low54.6Low73 Ų7379.2 Ų79.275%0.75343%0.432SS*.THydrogen-bonded Turntrans65.328168.900000116.2
221Q43.8Very low57.1Low151 Ų15174.9 Ų74.971%0.70641%0.405SS*.  trans-82.2140.7176.6-67.8-168.41.900112.9E219E219-Q221 PolarHBondContact O-N 2.75Å
222V52.9Low59.1Low80 Ų8076.6 Ų76.649%0.48541%0.405SS..  trans-70139.1-175.6-1690000111.5Y307V222-Y307 HydrophobicContact CB-CD1 4.02Å; V222-Y307 HydrophobicContact CB-CD2 4.23Å; V222-Y307 HydrophobicContact CB-CE1 3.75Å; V222-Y307 HydrophobicContact CB-CE2 3.98Å; V222-Y307 HydrophobicContact CB-CG 4.23Å; V222-Y307 HydrophobicContact CG1-CD1 4.14Å; V222-Y307 HydrophobicContact CG1-CD2 3.44Å; V222-Y307 VanDerWaalsContact CG1-CD2 3.44Å; V222-Y307 HydrophobicContact CG1-CE1 3.95Å; V222-Y307 HydrophobicContact CG1-CE2 3.21Å; V222-Y307 HydrophobicContact CG1-CG 3.89Å; V222-Y307 VanDerWaalsContact CG1-CZ 3.46Å; V222-Y307 HydrophobicContact CG2-CE1 4.31Å
223K61.6Low61.1Low98 Ų9875.2 Ų75.243%0.42640%0.4SS..  trans-114.6163.2-170.7-68.5-175.4177.1-179.80114.6N305K223-N305 PolarHBondContact O-ND2 2.87Å; K223-N305 VanDerWaalsContact O-ND2 3.15Å
224A63.5Low62.5Low32 Ų3274 Ų7426%0.26440%0.396SS..  trans-57154.8167.500000112.8R251A224-R251 WeakPolarHBondContact O-CD 3.37Å
225P74.6Confident64Low9 Ų976 Ų766%0.05840%0.403CS..  trans-76.1174.5-17330.3-32000113.8L256 S303 N305 G308 S310P225-L256 HydrophobicContact CB-CD2 3.44Å; P225-L256 VanDerWaalsContact CB-CD2 3.44Å; P225-L256 HydrophobicContact CG-CD2 3.91Å; P225-S303 WeakPolarHBondContact CB-OG 3.48Å; P225-S303 WeakPolarHBondContact CG-O 3.36Å; P225-S303 VanDerWaalsContact CG-OG 3.3Å; P225-S303 WeakPolarHBondContact CG-OG 3.46Å; P225-N305 HydrophobicContact CG-CB 4.41Å; P225-G308 VanDerWaalsContact CD-O 3.27Å; P225-G308 WeakPolarHBondContact CD-O 3.31Å; P225-S310 WeakPolarHBondContact O-CB 3.36Å
226F80.2Confident65.5Low92 Ų9274.2 Ų74.240%0.40440%0.399SS..PPolyproline II helixtrans-83.9153.1173.9-73-76.3000112.1P248 R251 S303F226-P248 HydrophobicContact CB-CB 3.86Å; F226-P248 WeakPolarHBondContact O-CB 3.29Å; F226-P248 WeakPolarHBondContact O-CG 3.07Å; F226-R251 HydrophobicContact CD2-CG 3.9Å; F226-R251 HydrophobicContact CE2-CG 3.8Å; F226-S303 PolarHBondContact O-OG 2.99Å
227P83Confident66.8Low43 Ų4371.2 Ų71.228%0.27939%0.386SS..PPolyproline II helixtrans-62.2142.7175.222.1-31.8000112.9D311P227-D311 WeakPolarHBondContact CB-O 3.4Å
228P85.9Confident68Low2 Ų269.1 Ų69.11%0.01338%0.379CS..PPolyproline II helixtrans-62.2160.6168.7-21.934.2000113.7W245 P248 F258 V301 S313P228-W245 HydrophobicContact CB-CG 4.28Å; P228-P248 HydrophobicContact CG-CG 4.41Å; P228-F258 HydrophobicContact CG-CD1 3.87Å; P228-F258 HydrophobicContact CG-CE1 3.99Å; P228-V301 HydrophobicContact CB-CB 4.36Å; P228-V301 HydrophobicContact CB-CG1 4.45Å; P228-V301 WeakPolarHBondContact CD-O 3.37Å; P228-V301 HydrophobicContact CG-CB 4.14Å; P228-V301 HydrophobicContact CG-CG1 3.9Å; P228-S313 WeakPolarHBondContact O-CB 3.42Å
229T84.8Confident69.1Low83 Ų8367.1 Ų67.151%0.50937%0.372SS..EExtended strand (participates in β ladder)trans-127.6167.1-179.456.50000112V231 T246T229-V231 PolarHBondContact O-N 2.78Å; T229-T246 PolarHBondContact N-O 2.96Å; T229-T246 VanDerWaalsContact N-O 3.12Å; T229-T246 PolarHBondContact O-N 2.89Å
230D81.8Confident70.9Confident82 Ų8264.4 Ų64.444%0.43936%0.357SS..EExtended strand (participates in β ladder)trans54.548.2178.8-165.833.8000115.6R232 W245D230-R232 PolarHBondContact O-N 2.99Å; D230-R232 IonicContact OD2-CZ 2.84Å; D230-R232 IonicContact OD2-NE 3.86Å; D230-R232 IonicContact OD2-NH1 3.94Å; D230-R232 PolarHBondContact OD2-NH1 3.1Å; D230-W245 WeakPolarHBondContact O-CA 3.43Å
231V83.1Confident72.5Confident11 Ų1161 Ų617%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-71.1113.3177.4-174.10000110.7T229 W245 F299 V301 S313 S316T229-V231 PolarHBondContact O-N 2.78Å; V231-W245 HydrophobicContact CG2-CB 4.03Å; V231-F299 HydrophobicContact CG1-CB 4.48Å; V231-V301 HydrophobicContact CG1-CG2 3.95Å; V231-V301 HydrophobicContact CG2-CB 4.31Å; V231-V301 HydrophobicContact CG2-CG2 3.79Å; V231-S313 VanDerWaalsContact CG2-OG 3.32Å; V231-S313 WeakPolarHBondContact CG2-OG 3.44Å; V231-S316 VanDerWaalsContact O-CB 3.25Å; V231-S316 WeakPolarHBondContact O-CB 3.36Å
232R82Confident74.3Confident139 Ų13954.2 Ų54.253%0.52529%0.29SS..EExtended strand (participates in β ladder)trans-140.4152.3-175.665.5-170.3-176.2-167.45.3113.9D230 L243 S244D230-R232 PolarHBondContact O-N 2.99Å; D230-R232 IonicContact OD2-CZ 2.84Å; D230-R232 IonicContact OD2-NE 3.86Å; D230-R232 IonicContact OD2-NH1 3.94Å; D230-R232 PolarHBondContact OD2-NH1 3.1Å; R232-L243 CarbonylContact O-C 3.57Å; R232-L243 WeakPolarHBondContact O-CA 3.42Å; R232-S244 WeakPolarHBondContact CG-OG 3.47Å; R232-S244 PolarHBondContact N-O 3.02Å; R232-S244 PolarHBondContact O-N 2.75Å
233A76.8Confident75.7Confident36 Ų3650.4 Ų50.430%0.29827%0.267SS..EExtended strand (participates in β ladder)trans-78.8120.9172.400000111L236 V241 V242 L243 I319A233-L236 HydrophobicContact CB-CD2 4.33Å; A233-L236 HydrophobicContact CB-CG 4.48Å; A233-V241 HydrophobicContact CB-CG2 3.51Å; A233-V242 CarbonylContact C-O 3.56Å; A233-L243 HydrophobicContact CB-CD2 4.43Å; A233-I319 HydrophobicContact CB-CD1 3.7Å; A233-I319 HydrophobicContact CB-CG1 4.09Å
234C72Confident76.6Confident22 Ų2246.7 Ų46.715%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-107.7-5.1176.873.10000113.3V242 R405C234-V242 PolarHBondContact N-O 3.27Å; C234-V242 PolarHBondContact SG-O 3.28Å; C234-R405 PolarHBondContact O-NH1 3.32Å; C234-R405 PolarHBondContact O-NH2 2.85Å
235E70.7Confident77.8Confident65 Ų6545.9 Ų45.930%0.30424%0.244SC..EExtended strand (participates in β ladder)trans-155.1143.8170-162.3-178.1138.500109.3Y240 V241 V242 R285E235-Y240 HydrophobicContact CG-CE2 4.41Å; E235-Y240 WeakPolarHBondContact OE1-CE2 3Å; E235-Y240 PolarHBondContact OE1-OH 2.83Å; E235-V241 CarbonylContact O-C 3.54Å; E235-V241 VanDerWaalsContact O-CA 3.29Å; E235-V241 WeakPolarHBondContact O-CA 3.19Å; E235-V241 VanDerWaalsContact O-CG2 3.28Å; E235-V241 WeakPolarHBondContact O-CG2 3.49Å; E235-V242 HydrophobicContact CB-CB 3.57Å; E235-V242 HydrophobicContact CB-CG2 3.56Å; E235-V242 HydrophobicContact CG-CG2 4.27Å; E235-V242 PolarHBondContact N-O 2.78Å; E235-V242 PolarHBondContact O-N 3.37Å; E235-R285 IonicContact OE2-NH2 3.88Å
236L70.4Confident78.4Confident85 Ų8548.9 Ų48.945%0.44526%0.262SS..EExtended strand (participates in β ladder)trans-138.2136.3-173.9-71154.6000109.1A233 V241 I319 L321A233-L236 HydrophobicContact CB-CD2 4.33Å; A233-L236 HydrophobicContact CB-CG 4.48Å; L236-V241 HydrophobicContact CD2-CB 4.24Å; L236-V241 HydrophobicContact CD2-CG2 3.62Å; L236-V241 HydrophobicContact CG-CG2 4.32Å; L236-I319 HydrophobicContact CD2-CG2 3.42Å; L236-I319 VanDerWaalsContact CD2-CG2 3.42Å; L236-L321 HydrophobicContact CD2-CD2 3.89Å
237S69.1Low78.4Confident37 Ų3748.9 Ų48.926%0.25926%0.263SS..  trans-129.7177.9171.81750000109.2T239 Y240 L321S237-T239 PolarHBondContact O-N 2.78Å; S237-Y240 PolarHBondContact N-O 3.04Å; S237-Y240 WeakPolarHBondContact OG-CD1 3.31Å; S237-Y240 WeakPolarHBondContact OG-CE1 3.32Å; S237-L321 WeakPolarHBondContact O-CD2 3.39Å
238D68.6Low78Confident73 Ų7347.6 Ų47.639%0.3926%0.255SS..SBendtrans-68-17171.5-79.57.6000112.4K293D238-K293 HydrophobicContact CB-CD 4.27Å; D238-K293 WeakPolarHBondContact OD2-CE 3.42Å; D238-K293 IonicContact OD2-NZ 2.69Å; D238-K293 PolarHBondContact OD2-NZ 3.36Å
239T65.1Low76.9Confident80 Ų8055.2 Ų55.249%0.49129%0.29SS..SBendtrans-133.9-4.4-171.858.20000115.4S237 D290 L291S237-T239 PolarHBondContact O-N 2.78Å; T239-D290 PolarHBondContact O-N 3.16Å; T239-L291 PolarHBondContact O-N 3.35Å
240Y74.9Confident75.5Confident60 Ų6055 Ų5524%0.23529%0.291CS..  trans-151.2160.9179.674.2-97.3000112.3E235 S237 V242 V288 F289E235-Y240 HydrophobicContact CG-CE2 4.41Å; E235-Y240 WeakPolarHBondContact OE1-CE2 3Å; E235-Y240 PolarHBondContact OE1-OH 2.83Å; S237-Y240 PolarHBondContact N-O 3.04Å; S237-Y240 WeakPolarHBondContact OG-CD1 3.31Å; S237-Y240 WeakPolarHBondContact OG-CE1 3.32Å; Y240-V242 HydrophobicContact CD2-CG2 4.18Å; Y240-V242 HydrophobicContact CE2-CG2 4Å; Y240-V288 CarbonylContact C-O 3.56Å; Y240-V288 VanDerWaalsContact CA-O 3.26Å; Y240-V288 WeakPolarHBondContact CA-O 3.36Å; Y240-V288 VanDerWaalsContact CB-O 3.32Å; Y240-V288 WeakPolarHBondContact CB-O 3.49Å; Y240-F289 HydrophobicContact CD1-CD1 4.33Å; Y240-F289 HydrophobicContact CD1-CE1 4.4Å; Y240-F289 HydrophobicContact CD2-CE1 4.34Å; Y240-F289 AromaticContact CG-CD1 3.94Å; Y240-F289 HydrophobicContact CG-CD1 3.94Å; Y240-F289 HydrophobicContact CG-CE1 4.08Å
241V78.9Confident74.2Confident0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-132142.3171.269.90000109.5A233 E235 L236 L243 P287 V288 L291 F299 I319A233-V241 HydrophobicContact CB-CG2 3.51Å; E235-V241 CarbonylContact O-C 3.54Å; E235-V241 VanDerWaalsContact O-CA 3.29Å; E235-V241 WeakPolarHBondContact O-CA 3.19Å; E235-V241 VanDerWaalsContact O-CG2 3.28Å; E235-V241 WeakPolarHBondContact O-CG2 3.49Å; L236-V241 HydrophobicContact CD2-CB 4.24Å; L236-V241 HydrophobicContact CD2-CG2 3.62Å; L236-V241 HydrophobicContact CG-CG2 4.32Å; V241-L243 HydrophobicContact CG1-CD2 4.24Å; V241-L243 HydrophobicContact CG1-CG 4.29Å; V241-L243 HydrophobicContact CG2-CD2 4.22Å; V241-P287 CarbonylContact O-C 3.57Å; V241-P287 WeakPolarHBondContact O-CA 3.38Å; V241-V288 HydrophobicContact CG1-CB 3.99Å; V241-V288 PolarHBondContact N-O 3.43Å; V241-V288 PolarHBondContact O-N 2.84Å; V241-L291 HydrophobicContact CB-CD1 4Å; V241-L291 HydrophobicContact CG1-CD1 3.61Å; V241-F299 HydrophobicContact CG1-CE1 4.27Å; V241-F299 HydrophobicContact CG1-CE2 3.79Å; V241-F299 HydrophobicContact CG1-CZ 3.57Å; V241-I319 HydrophobicContact CG2-CG2 4.44Å
242V79.5Confident72.6Confident10 Ų1058 Ų586%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-103.7120.1168.6-171.60000108.3A233 C234 E235 Y240 R285 P287A233-V242 CarbonylContact C-O 3.56Å; C234-V242 PolarHBondContact N-O 3.27Å; C234-V242 PolarHBondContact SG-O 3.28Å; E235-V242 HydrophobicContact CB-CB 3.57Å; E235-V242 HydrophobicContact CB-CG2 3.56Å; E235-V242 HydrophobicContact CG-CG2 4.27Å; E235-V242 PolarHBondContact N-O 2.78Å; E235-V242 PolarHBondContact O-N 3.37Å; Y240-V242 HydrophobicContact CD2-CG2 4.18Å; Y240-V242 HydrophobicContact CE2-CG2 4Å; V242-R285 HydrophobicContact CG1-CG 3.83Å; V242-P287 HydrophobicContact CG2-CB 3.96Å
243L83.4Confident71.2Confident0 Ų061.3 Ų61.30%032%0.323CS..EExtended strand (participates in β ladder)trans-93152.1178.2-60.3172.5000110.7R232 A233 V241 W245 V260 R285 Y286 V288 F299 I319R232-L243 CarbonylContact O-C 3.57Å; R232-L243 WeakPolarHBondContact O-CA 3.42Å; A233-L243 HydrophobicContact CB-CD2 4.43Å; V241-L243 HydrophobicContact CG1-CD2 4.24Å; V241-L243 HydrophobicContact CG1-CG 4.29Å; V241-L243 HydrophobicContact CG2-CD2 4.22Å; L243-W245 HydrophobicContact CB-CE3 4.39Å; L243-W245 HydrophobicContact CB-CZ3 4.17Å; L243-V260 HydrophobicContact CD1-CG1 3.62Å; L243-R285 CarbonylContact O-C 3.58Å; L243-R285 WeakPolarHBondContact O-CA 3.32Å; L243-R285 VanDerWaalsContact O-CG 3.28Å; L243-R285 WeakPolarHBondContact O-CG 3.44Å; L243-Y286 PolarHBondContact N-O 3.21Å; L243-Y286 PolarHBondContact O-N 3.33Å; L243-V288 HydrophobicContact CD1-CG2 3.86Å; L243-V288 HydrophobicContact CG-CG2 4.42Å; L243-F299 HydrophobicContact CD1-CB 3.52Å; L243-F299 HydrophobicContact CD1-CD1 3.67Å; L243-F299 HydrophobicContact CD1-CD2 4.1Å; L243-F299 HydrophobicContact CD1-CE1 4.41Å; L243-F299 HydrophobicContact CD1-CG 3.48Å; L243-F299 VanDerWaalsContact CD1-CG 3.48Å; L243-F299 HydrophobicContact CD2-CB 4.21Å; L243-F299 HydrophobicContact CD2-CD2 3.75Å; L243-F299 HydrophobicContact CD2-CE2 4.32Å; L243-F299 HydrophobicContact CD2-CG 4Å; L243-F299 HydrophobicContact CG-CD2 4.49Å; L243-F299 HydrophobicContact CG-CG 4.33Å; L243-I319 HydrophobicContact CD2-CD1 4.3Å
244S81.1Confident70.3Confident20 Ų2062 Ų6214%0.1432%0.321CS..EExtended strand (participates in β ladder)trans-136.4150.3167.562.90000110.1R232 P284R232-S244 WeakPolarHBondContact CG-OG 3.47Å; R232-S244 PolarHBondContact N-O 3.02Å; R232-S244 PolarHBondContact O-N 2.75Å; S244-P284 CarbonylContact C-O 3.42Å; S244-P284 VanDerWaalsContact CA-O 3.25Å; S244-P284 WeakPolarHBondContact CA-O 3.28Å
245W88.9Confident69.8Low14 Ų1465.4 Ų65.45%0.05334%0.342CS..EExtended strand (participates in β ladder)trans-146.4169.2176.756.388.2000111.6P228 D230 V231 L243 F258 V260 V281 S283 P284 V301P228-W245 HydrophobicContact CB-CG 4.28Å; D230-W245 WeakPolarHBondContact O-CA 3.43Å; V231-W245 HydrophobicContact CG2-CB 4.03Å; L243-W245 HydrophobicContact CB-CE3 4.39Å; L243-W245 HydrophobicContact CB-CZ3 4.17Å; W245-F258 HydrophobicContact CZ2-CB 3.78Å; W245-F258 AromaticContact CZ2-CD2 3.94Å; W245-F258 HydrophobicContact CZ2-CD2 3.94Å; W245-F258 AromaticContact CZ2-CG 3.82Å; W245-F258 HydrophobicContact CZ2-CG 3.82Å; W245-F258 AromaticContact NE1-CD1 3.69Å; W245-F258 AromaticContact NE1-CD2 3.99Å; W245-F258 AromaticContact NE1-CE1 3.81Å; W245-F258 AromaticContact NE1-CG 3.8Å; W245-V260 HydrophobicContact CH2-CG2 3.73Å; W245-V260 HydrophobicContact CZ3-CG2 3.94Å; W245-V281 HydrophobicContact CH2-CG1 4.07Å; W245-V281 HydrophobicContact CZ2-CG1 4.25Å; W245-S283 VanDerWaalsContact CZ2-O 3.3Å; W245-S283 WeakPolarHBondContact CZ2-O 3.4Å; W245-P284 PolarHBondContact N-O 3Å; W245-P284 WeakPolarHBondContact O-CB 3.49Å; W245-V301 HydrophobicContact CD2-CB 4.45Å; W245-V301 HydrophobicContact CD2-CG1 4.07Å; W245-V301 HydrophobicContact CD2-CG2 3.91Å; W245-V301 HydrophobicContact CE3-CG2 3.76Å; W245-V301 HydrophobicContact CG-CG2 4.39Å; W245-V301 HydrophobicContact CH2-CG1 4.32Å; W245-V301 HydrophobicContact CZ2-CG1 3.89Å; W245-V301 HydrophobicContact CZ3-CG2 4.11Å
246T86.2Confident69.9Low72 Ų7263.7 Ų63.744%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-91.6128172-64.30000109.5T229T229-T246 PolarHBondContact N-O 2.96Å; T229-T246 VanDerWaalsContact N-O 3.12Å; T229-T246 PolarHBondContact O-N 2.89Å
247E80.3Confident70.2Confident93 Ų9360 Ų6044%0.43532%0.316SS..PPolyproline II helixtrans-69.8139.6178.1-61-168.8163.200111.4F258 P284E247-F258 HydrophobicContact CB-CZ 4.28Å; E247-F258 HydrophobicContact CG-CE2 4.27Å; E247-F258 HydrophobicContact CG-CZ 3.69Å; E247-F258 WeakPolarHBondContact OE1-CE2 3.37Å; E247-P284 HydrophobicContact CG-CB 3.63Å; E247-P284 HydrophobicContact CG-CG 4.09Å; E247-P284 VanDerWaalsContact OE1-CD 3.23Å; E247-P284 WeakPolarHBondContact OE1-CD 3.29Å; E247-P284 WeakPolarHBondContact OE1-CG 3.32Å
248P75.3Confident70.9Confident15 Ų1558.2 Ų58.210%0.09730%0.304CS..PPolyproline II helixtrans-76.5154.5176.228.4-28.4000111.8F226 P228 L256F226-P248 HydrophobicContact CB-CB 3.86Å; F226-P248 WeakPolarHBondContact O-CB 3.29Å; F226-P248 WeakPolarHBondContact O-CG 3.07Å; P228-P248 HydrophobicContact CG-CG 4.41Å; P248-L256 HydrophobicContact CG-CD1 4.24Å; P248-L256 WeakPolarHBondContact O-CD1 3.31Å
249E62.8Low71.4Confident163 Ų16354.8 Ų54.876%0.76229%0.285SS*.PPolyproline II helixtrans-59.2126.9173.9-70.1-170.817500111.1R251E249-R251 PolarHBondContact O-N 2.79Å
250P54.7Low72.2Confident79 Ų7951 Ų5151%0.51326%0.262SS..PPolyproline II helixtrans-72.4124.5-175.426-31.5000111.1G252 L256P250-G252 VanDerWaalsContact C-N 3.3Å; P250-G252 PolarHBondContact O-N 3.31Å; P250-L256 HydrophobicContact CB-CD1 4.04Å; P250-L256 HydrophobicContact CB-CG 4.38Å
251R54.3Low72.7Confident103 Ų10348.9 Ų48.939%0.38925%0.254SS..SBendtrans-74.483.4167.4-66.6-171.2-174.5-131.414.4109.4A224 F226 E249A224-R251 WeakPolarHBondContact O-CD 3.37Å; F226-R251 HydrophobicContact CD2-CG 3.9Å; F226-R251 HydrophobicContact CE2-CG 3.8Å; E249-R251 PolarHBondContact O-N 2.79Å
252G50.8Low73Confident53 Ų5351.2 Ų51.255%0.54626%0.263SS..SBendtrans105.5-170.4178.100000114.7P250 E254P250-G252 VanDerWaalsContact C-N 3.3Å; P250-G252 PolarHBondContact O-N 3.31Å; G252-E254 VanDerWaalsContact C-N 3.3Å; G252-E254 PolarHBondContact O-N 2.81Å
253R51.4Low73.2Confident207 Ų20751.6 Ų51.678%0.78126%0.264SS*.SBendtrans-84.210.8-176.3-73.4-172.1-179.5-1130.1114.9
254E58.8Low72.6Confident52 Ų5254.6 Ų54.624%0.24328%0.279CS..PPolyproline II helixtrans-89135.9-171.3-61.8-58.8145.700112G252 L256 N305 K306 Y307G252-E254 VanDerWaalsContact C-N 3.3Å; G252-E254 PolarHBondContact O-N 2.81Å; E254-L256 PolarHBondContact O-N 2.9Å; E254-N305 HydrophobicContact CB-CB 4.09Å; E254-K306 VanDerWaalsContact CD-NZ 3.29Å; E254-K306 HydrophobicContact CG-CD 4.18Å; E254-K306 HydrophobicContact CG-CG 4.07Å; E254-K306 WeakPolarHBondContact OE1-CE 3.43Å; E254-K306 IonicContact OE1-NZ 2.77Å; E254-K306 PolarHBondContact OE1-NZ 3.16Å; E254-K306 VanDerWaalsContact OE2-CD 3.31Å; E254-K306 WeakPolarHBondContact OE2-CD 3.16Å; E254-K306 IonicContact OE2-NZ 2.78Å; E254-Y307 HydrophobicContact CG-CD2 4.26Å; E254-Y307 HydrophobicContact CG-CE2 3.68Å
255P61.1Low71.3Confident92 Ų9257.5 Ų57.560%0.59730%0.299SS*.PPolyproline II helixtrans-63.5130.3176.926.8-32.8000109.9
256L72.6Confident69.5Low30 Ų3061.4 Ų61.416%0.15732%0.32CS..PPolyproline II helixtrans-81.1139.7175-69170.6000109.9P225 P248 P250 E254 F258 I304 N305P225-L256 HydrophobicContact CB-CD2 3.44Å; P225-L256 VanDerWaalsContact CB-CD2 3.44Å; P225-L256 HydrophobicContact CG-CD2 3.91Å; P248-L256 HydrophobicContact CG-CD1 4.24Å; P248-L256 WeakPolarHBondContact O-CD1 3.31Å; P250-L256 HydrophobicContact CB-CD1 4.04Å; P250-L256 HydrophobicContact CB-CG 4.38Å; E254-L256 PolarHBondContact O-N 2.9Å; L256-F258 HydrophobicContact CB-CZ 4.13Å; L256-I304 WeakPolarHBondContact CA-O 3.35Å; L256-N305 HydrophobicContact CD2-CB 4.48Å
257T77.6Confident67.4Low7 Ų763.4 Ų63.44%0.04334%0.344CS..EExtended strand (participates in β ladder)trans-129165.9167.963.30000110.2I153 V280 V281 N282 S303 I304I153-T257 HydrophobicContact CD1-CG2 4.14Å; T257-V280 HydrophobicContact CG2-CG1 3.52Å; T257-V280 VanDerWaalsContact OG1-CG1 3.31Å; T257-V280 WeakPolarHBondContact OG1-CG1 3.26Å; T257-V281 CarbonylContact C-O 3.56Å; T257-V281 WeakPolarHBondContact CA-O 3.43Å; T257-N282 VanDerWaalsContact CG2-OD1 3.3Å; T257-N282 WeakPolarHBondContact CG2-OD1 3.28Å; T257-S303 CarbonylContact O-C 3.4Å; T257-S303 WeakPolarHBondContact O-CA 3.43Å; T257-I304 PolarHBondContact N-O 3.16Å; T257-I304 PolarHBondContact O-N 3.08Å
258F82.5Confident65.8Low0 Ų063 Ų630%037%0.365CS..EExtended strand (participates in β ladder)trans-133149.2-170.3-47.6-83.9000113.7P228 W245 E247 L256 V281 V301 R302P228-F258 HydrophobicContact CG-CD1 3.87Å; P228-F258 HydrophobicContact CG-CE1 3.99Å; W245-F258 HydrophobicContact CZ2-CB 3.78Å; W245-F258 AromaticContact CZ2-CD2 3.94Å; W245-F258 HydrophobicContact CZ2-CD2 3.94Å; W245-F258 AromaticContact CZ2-CG 3.82Å; W245-F258 HydrophobicContact CZ2-CG 3.82Å; W245-F258 AromaticContact NE1-CD1 3.69Å; W245-F258 AromaticContact NE1-CD2 3.99Å; W245-F258 AromaticContact NE1-CE1 3.81Å; W245-F258 AromaticContact NE1-CG 3.8Å; E247-F258 HydrophobicContact CB-CZ 4.28Å; E247-F258 HydrophobicContact CG-CE2 4.27Å; E247-F258 HydrophobicContact CG-CZ 3.69Å; E247-F258 WeakPolarHBondContact OE1-CE2 3.37Å; L256-F258 HydrophobicContact CB-CZ 4.13Å; F258-V281 HydrophobicContact CB-CB 4.17Å; F258-V281 WeakPolarHBondContact CD2-O 3.47Å; F258-V281 PolarHBondContact N-O 3.01Å; F258-V281 WeakPolarHBondContact O-CB 3.38Å; F258-V281 WeakPolarHBondContact O-CG2 3.18Å; F258-V281 PolarHBondContact O-N 3.41Å; F258-V301 HydrophobicContact CB-CG1 3.9Å; F258-V301 HydrophobicContact CD1-CG1 4.24Å; F258-V301 HydrophobicContact CG-CG1 4.4Å; F258-R302 WeakPolarHBondContact CA-O 3.14Å; F258-R302 WeakPolarHBondContact CB-O 3.17Å
259Y79.8Confident64.4Low0 Ų070.3 Ų70.30%040%0.395CS..EExtended strand (participates in β ladder)trans-116.3137.6164.3-82.7-55.8000110P157 F159 L274 S276 V280 V301 R302 I304P157-Y259 HydrophobicContact CG-CD2 4Å; P157-Y259 HydrophobicContact CG-CE2 3.25Å; F159-Y259 AromaticContact CE2-CD2 3.55Å; F159-Y259 HydrophobicContact CE2-CD2 3.55Å; F159-Y259 AromaticContact CE2-CE2 3.66Å; F159-Y259 HydrophobicContact CE2-CE2 3.66Å; F159-Y259 HydrophobicContact CE2-CG 4.2Å; F159-Y259 AromaticContact CZ-CD2 3.94Å; F159-Y259 HydrophobicContact CZ-CD2 3.94Å; F159-Y259 HydrophobicContact CZ-CE2 4.38Å; Y259-L274 HydrophobicContact CD1-CD1 3.73Å; Y259-L274 HydrophobicContact CD1-CD2 4.15Å; Y259-L274 HydrophobicContact CD1-CG 4.45Å; Y259-L274 HydrophobicContact CE1-CD2 4.24Å; Y259-L274 HydrophobicContact CG-CD1 3.92Å; Y259-S276 WeakPolarHBondContact CD1-OG 3.49Å; Y259-V280 HydrophobicContact CE1-CG2 4.33Å; Y259-V280 HydrophobicContact CE2-CG2 4.45Å; Y259-V280 WeakPolarHBondContact OH-CG2 3.42Å; Y259-V301 WeakPolarHBondContact O-CA 3.4Å; Y259-V301 WeakPolarHBondContact O-CG1 2.89Å; Y259-R302 PolarHBondContact N-O 2.74Å; Y259-R302 PolarHBondContact O-N 3.2Å; Y259-I304 HydrophobicContact CD2-CD1 3.08Å; Y259-I304 HydrophobicContact CD2-CG1 4.18Å; Y259-I304 HydrophobicContact CE2-CD1 3.27Å; Y259-I304 HydrophobicContact CG-CD1 3.98Å
260V81.8Confident64Low0 Ų069.7 Ų69.70%040%0.397CS..EExtended strand (participates in β ladder)trans-104.1127.1176.1-177.60000108.2L243 W245 A275 S276 V281 Y286 V288 F299 V301L243-V260 HydrophobicContact CD1-CG1 3.62Å; W245-V260 HydrophobicContact CH2-CG2 3.73Å; W245-V260 HydrophobicContact CZ3-CG2 3.94Å; V260-A275 HydrophobicContact CB-CB 4.36Å; V260-A275 HydrophobicContact CG1-CB 4.02Å; V260-A275 WeakPolarHBondContact O-CA 3.02Å; V260-A275 WeakPolarHBondContact O-CB 3.22Å; V260-A275 PolarHBondContact O-N 2.57Å; V260-S276 PolarHBondContact O-N 2.7Å; V260-V281 HydrophobicContact CG2-CG2 4.38Å; V260-Y286 HydrophobicContact CB-CD1 4.34Å; V260-Y286 HydrophobicContact CG2-CD1 3.92Å; V260-Y286 HydrophobicContact CG2-CG 4.18Å; V260-V288 HydrophobicContact CG1-CG2 4.12Å; V260-F299 HydrophobicContact CG1-CD1 4.41Å; V260-V301 HydrophobicContact CG2-CG2 4.4Å
261E85.6Confident64.4Low16 Ų1669.9 Ų69.98%0.07540%0.4CS..EExtended strand (participates in β ladder)trans-109.4142.3173.7-65176.1-177.200109.4W272 E273 L274 F299 R300 R302E261-W272 HydrophobicContact CB-CE3 4.22Å; E261-E273 CarbonylContact C-O 3.44Å; E261-E273 VanDerWaalsContact CA-O 3.29Å; E261-E273 WeakPolarHBondContact CA-O 3.47Å; E261-L274 HydrophobicContact CG-CD1 4.38Å; E261-F299 WeakPolarHBondContact O-CA 3.31Å; E261-R300 HydrophobicContact CB-CG 3.98Å; E261-R300 PolarHBondContact N-O 2.9Å; E261-R300 PolarHBondContact O-N 2.84Å; E261-R300 IonicContact OE2-CZ 3.95Å; E261-R300 IonicContact OE2-NE 2.92Å; E261-R300 PolarHBondContact OE2-NE 2.8Å; E261-R300 IonicContact OE2-NH2 2.68Å; E261-R300 PolarHBondContact OE2-NH2 3.37Å; E261-R302 WeakPolarHBondContact OE1-CD 3.4Å; E261-R302 IonicContact OE1-CZ 3.12Å; E261-R302 IonicContact OE1-NE 2.71Å; E261-R302 PolarHBondContact OE1-NE 2.61Å; E261-R302 IonicContact OE1-NH2 3.14Å; E261-R302 IonicContact OE2-NE 3.88Å
262R85.7Confident65.5Low50 Ų5068.1 Ų68.119%0.18939%0.394CS..EExtended strand (participates in β ladder)trans-116.7148.7174.168.1-174.3-170.4-166.40.3110.5E273 A275 C298 F299R262-E273 HydrophobicContact CG-CG 3.56Å; R262-E273 IonicContact CZ-OE1 3.76Å; R262-E273 VanDerWaalsContact CZ-OE1 3.24Å; R262-E273 PolarHBondContact N-O 2.67Å; R262-E273 IonicContact NE-OE1 3.94Å; R262-E273 PolarHBondContact NE-OE1 3.05Å; R262-E273 IonicContact NH2-OE1 2.8Å; R262-E273 PolarHBondContact NH2-OE1 3.16Å; R262-E273 PolarHBondContact O-N 2.9Å; R262-A275 HydrophobicContact CB-CB 3.82Å; R262-A275 HydrophobicContact CG-CB 3.79Å; R262-C298 WeakPolarHBondContact CA-O 3.5Å; R262-F299 HydrophobicContact CB-CD1 3.58Å; R262-F299 HydrophobicContact CB-CE1 3.51Å
263N82.4Confident66.8Low17 Ų1769.7 Ų69.79%0.09139%0.387CS..EExtended strand (participates in β ladder)trans-127.2120.3167.6-173.8-19.3000108.2S265 W272 Y297 C298N263-S265 PolarHBondContact O-N 2.94Å; N263-W272 HydrophobicContact CB-CD2 3.8Å; N263-W272 HydrophobicContact CB-CE3 3.56Å; N263-W272 HydrophobicContact CB-CH2 3.83Å; N263-W272 HydrophobicContact CB-CZ2 4.09Å; N263-W272 HydrophobicContact CB-CZ3 3.56Å; N263-Y297 WeakPolarHBondContact O-CA 3.45Å; N263-C298 PolarHBondContact N-O 3.06Å; N263-C298 PolarHBondContact O-N 3.44Å
264Q70.7Confident67.9Low64 Ų6461.9 Ų61.930%0.29936%0.36SS..EExtended strand (participates in β ladder)trans-85.7102.2171.9-170.3-176.931.600107.5L266 Y297Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 HydrophobicContact CG-CD1 4.04Å; Q264-L266 PolarHBondContact O-N 3.14Å; Q264-Y297 HydrophobicContact CB-CD1 4.03Å; Q264-Y297 HydrophobicContact CB-CE1 3.77Å; Q264-Y297 HydrophobicContact CG-CD1 4.19Å; Q264-Y297 HydrophobicContact CG-CE1 3.68Å; Q264-Y297 PolarHBondContact NE2-OH 2.85Å
265S55.2Low68.6Low80 Ų8059.7 Ų59.756%0.55935%0.351SS*.  trans-67.593.2-178.2-167.10000110.2N263 Q296N263-S265 PolarHBondContact O-N 2.94Å; S265-Q296 PolarHBondContact N-O 3.45Å
266L50.7Low68.9Low97 Ų9755.3 Ų55.351%0.50832%0.323SS..  trans-103.5128.9154.1-89.298.5000107.2Q264 G268 K269Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 HydrophobicContact CG-CD1 4.04Å; Q264-L266 PolarHBondContact O-N 3.14Å; L266-G268 PolarHBondContact O-N 3.33Å; L266-K269 PolarHBondContact O-N 2.76Å
267A42.1Very low68.2Low114 Ų11459.4 Ų59.494%0.94234%0.344SS*.THydrogen-bonded Turntrans-28.399173.400000113.4
268G45.5Very low67Low84 Ų8461.9 Ų61.987%0.86636%0.357SS*.THydrogen-bonded Turntrans97.37.2164.700000119.3L266L266-G268 PolarHBondContact O-N 3.33Å
269K47.5Very low65.7Low169 Ų16964.5 Ų64.574%0.73537%0.373SS*.  trans-108.8120167.2-86.8-173176.1-176.90111.4L266L266-K269 PolarHBondContact O-N 2.76Å
270N54.3Low64.9Low149 Ų14965.2 Ų65.280%0.79738%0.377SS*.  trans-99.430.5-172.4-130.520.7000113.2
271S62.8Low64.5Low84 Ų8465.5 Ų65.559%0.58738%0.379SS*.  trans-94.4110.7-176.755.80000110.9
272W77.7Confident63.9Low66 Ų6670.6 Ų70.625%0.2541%0.407CS..  trans-77.7132.5169.4-67.785.9000109.4E261 N263 C298 R300 P315E261-W272 HydrophobicContact CB-CE3 4.22Å; N263-W272 HydrophobicContact CB-CD2 3.8Å; N263-W272 HydrophobicContact CB-CE3 3.56Å; N263-W272 HydrophobicContact CB-CH2 3.83Å; N263-W272 HydrophobicContact CB-CZ2 4.09Å; N263-W272 HydrophobicContact CB-CZ3 3.56Å; W272-C298 HydrophobicContact CH2-CB 4.32Å; W272-R300 VanDerWaalsContact CD1-CZ 3.49Å; W272-R300 HydrophobicContact CD2-CG 4.33Å; W272-R300 VanDerWaalsContact CD2-CZ 3.46Å; W272-R300 VanDerWaalsContact CD2-NE 3.29Å; W272-R300 HydrophobicContact CE3-CG 3.69Å; W272-R300 VanDerWaalsContact CG-NH2 3.25Å; W272-R300 HydrophobicContact CH2-CB 4.42Å; W272-R300 HydrophobicContact CH2-CG 4.18Å; W272-R300 HydrophobicContact CZ3-CB 4.11Å; W272-R300 HydrophobicContact CZ3-CG 3.61Å; W272-P315 HydrophobicContact CH2-CB 3.92Å; W272-P315 HydrophobicContact CH2-CG 3.83Å; W272-P315 HydrophobicContact CZ2-CG 3.97Å
273E76.2Confident63.3Low86 Ų8670.8 Ų70.840%0.40242%0.416SS..EExtended strand (participates in β ladder)trans-117.5148.6178.863.4-179.9-171.900111E261 R262 A275E261-E273 CarbonylContact C-O 3.44Å; E261-E273 VanDerWaalsContact CA-O 3.29Å; E261-E273 WeakPolarHBondContact CA-O 3.47Å; R262-E273 HydrophobicContact CG-CG 3.56Å; R262-E273 IonicContact CZ-OE1 3.76Å; R262-E273 VanDerWaalsContact CZ-OE1 3.24Å; R262-E273 PolarHBondContact N-O 2.67Å; R262-E273 IonicContact NE-OE1 3.94Å; R262-E273 PolarHBondContact NE-OE1 3.05Å; R262-E273 IonicContact NH2-OE1 2.8Å; R262-E273 PolarHBondContact NH2-OE1 3.16Å; R262-E273 PolarHBondContact O-N 2.9Å; E273-A275 PolarHBondContact O-N 3.5Å
274L74.8Confident63.2Low43 Ų4372.4 Ų72.423%0.22543%0.427CS..EExtended strand (participates in β ladder)trans-70.1117.5179.8-168.270.5000109.8F159 Y259 E261 D278F159-L274 HydrophobicContact CD2-CD2 4.43Å; Y259-L274 HydrophobicContact CD1-CD1 3.73Å; Y259-L274 HydrophobicContact CD1-CD2 4.15Å; Y259-L274 HydrophobicContact CD1-CG 4.45Å; Y259-L274 HydrophobicContact CE1-CD2 4.24Å; Y259-L274 HydrophobicContact CG-CD1 3.92Å; E261-L274 HydrophobicContact CG-CD1 4.38Å; L274-D278 WeakPolarHBondContact CD2-OD1 3.39Å
275A73.7Confident63.6Low6 Ų675.3 Ų75.35%0.0544%0.435CS..SBendtrans-87.8-20.8-177.900000112.9V260 R262 E273 L277 V288V260-A275 HydrophobicContact CB-CB 4.36Å; V260-A275 HydrophobicContact CG1-CB 4.02Å; V260-A275 WeakPolarHBondContact O-CA 3.02Å; V260-A275 WeakPolarHBondContact O-CB 3.22Å; V260-A275 PolarHBondContact O-N 2.57Å; R262-A275 HydrophobicContact CB-CB 3.82Å; R262-A275 HydrophobicContact CG-CB 3.79Å; E273-A275 PolarHBondContact O-N 3.5Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 2.96Å; A275-V288 HydrophobicContact CB-CG1 3.94Å; A275-V288 HydrophobicContact CB-CG2 4.22Å
276S68.4Low64.9Low0 Ų073.1 Ų73.10%042%0.415CS..SBendtrans-90.622.9-176.7620000115.2Y259 V260 D278 T279 Y286Y259-S276 WeakPolarHBondContact CD1-OG 3.49Å; V260-S276 PolarHBondContact O-N 2.7Å; S276-D278 VanDerWaalsContact C-N 3.29Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 VanDerWaalsContact O-N 3.14Å; S276-T279 WeakPolarHBondContact O-CA 3.47Å; S276-T279 VanDerWaalsContact O-CB 3.3Å; S276-T279 WeakPolarHBondContact O-CB 3.37Å; S276-T279 PolarHBondContact O-N 2.98Å; S276-T279 PolarHBondContact OG-O 2.77Å; S276-Y286 VanDerWaalsContact CA-OH 3.25Å; S276-Y286 WeakPolarHBondContact CA-OH 3.43Å; S276-Y286 PolarHBondContact O-OH 2.81Å
277L58.2Low66.2Low116 Ų11670.6 Ų70.661%0.60741%0.405SS*.THydrogen-bonded Turntrans45.845.7172.9-62172.6000114A275 T279A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 2.96Å; L277-T279 PolarHBondContact O-N 3.02Å; L277-T279 PolarHBondContact O-OG1 2.69Å
278D52.5Low67.8Low59 Ų5965.2 Ų65.232%0.31636%0.36SS..THydrogen-bonded Turntrans59.513.4-176.7-56-45.7000115.6L274 S276L274-D278 WeakPolarHBondContact CD2-OD1 3.39Å; S276-D278 VanDerWaalsContact C-N 3.29Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 VanDerWaalsContact O-N 3.14Å
279T54.9Low69.3Low54 Ų5466.3 Ų66.333%0.33134%0.341SS..PPolyproline II helixtrans-94.9128.2177.2-52.60000110.4S276 L277 V281S276-T279 WeakPolarHBondContact O-CA 3.47Å; S276-T279 VanDerWaalsContact O-CB 3.3Å; S276-T279 WeakPolarHBondContact O-CB 3.37Å; S276-T279 PolarHBondContact O-N 2.98Å; S276-T279 PolarHBondContact OG-O 2.77Å; L277-T279 PolarHBondContact O-N 3.02Å; L277-T279 PolarHBondContact O-OG1 2.69Å; T279-V281 PolarHBondContact O-N 2.5Å
280V62.7Low70.5Confident16 Ų1664.3 Ų64.310%0.09734%0.339CS..PPolyproline II helixtrans-71.7120.2174.7178.50000109.7I153 T257 Y259I153-V280 HydrophobicContact CD1-CG1 4.42Å; T257-V280 HydrophobicContact CG2-CG1 3.52Å; T257-V280 VanDerWaalsContact OG1-CG1 3.31Å; T257-V280 WeakPolarHBondContact OG1-CG1 3.26Å; Y259-V280 HydrophobicContact CE1-CG2 4.33Å; Y259-V280 HydrophobicContact CE2-CG2 4.45Å; Y259-V280 WeakPolarHBondContact OH-CG2 3.42Å
281V73.8Confident71.6Confident6 Ų657.6 Ų57.64%0.03630%0.302CS..BIsolated β-bridgetrans-85122.3180-172.10000109.5W245 T257 F258 V260 T279 S283 Y286W245-V281 HydrophobicContact CH2-CG1 4.07Å; W245-V281 HydrophobicContact CZ2-CG1 4.25Å; T257-V281 CarbonylContact C-O 3.56Å; T257-V281 WeakPolarHBondContact CA-O 3.43Å; F258-V281 HydrophobicContact CB-CB 4.17Å; F258-V281 WeakPolarHBondContact CD2-O 3.47Å; F258-V281 PolarHBondContact N-O 3.01Å; F258-V281 WeakPolarHBondContact O-CB 3.38Å; F258-V281 WeakPolarHBondContact O-CG2 3.18Å; F258-V281 PolarHBondContact O-N 3.41Å; V260-V281 HydrophobicContact CG2-CG2 4.38Å; T279-V281 PolarHBondContact O-N 2.5Å; V281-S283 WeakPolarHBondContact CG1-O 3.33Å; V281-Y286 HydrophobicContact CB-CD2 4.23Å; V281-Y286 HydrophobicContact CG1-CD2 3.8Å; V281-Y286 HydrophobicContact CG1-CG 4.24Å; V281-Y286 HydrophobicContact CG2-CD1 4.47Å; V281-Y286 HydrophobicContact CG2-CD2 3.37Å; V281-Y286 HydrophobicContact CG2-CE2 3.72Å; V281-Y286 HydrophobicContact CG2-CG 3.8Å
282N71.8Confident72.3Confident122 Ų12257.2 Ų57.265%0.65230%0.296SS*.  trans-101.411.4-177.8-59.1-36.3000113.2T257T257-N282 VanDerWaalsContact CG2-OD1 3.3Å; T257-N282 WeakPolarHBondContact CG2-OD1 3.28Å
283S73.8Confident71.8Confident55 Ų5558.9 Ų58.939%0.38531%0.305SS..SBendtrans-138.5151.618053.50000110.8W245 V281 R285W245-S283 VanDerWaalsContact CZ2-O 3.3Å; W245-S283 WeakPolarHBondContact CZ2-O 3.4Å; V281-S283 WeakPolarHBondContact CG1-O 3.33Å; S283-R285 PolarHBondContact O-N 2.87Å; S283-R285 PolarHBondContact OG-O 2.95Å
284P80.8Confident71.5Confident50 Ų5060.6 Ų60.633%0.32532%0.317SS..SBendtrans-76.928.7177.831.2-32000113.2S244 W245 E247S244-P284 CarbonylContact C-O 3.42Å; S244-P284 VanDerWaalsContact CA-O 3.25Å; S244-P284 WeakPolarHBondContact CA-O 3.28Å; W245-P284 PolarHBondContact N-O 3Å; W245-P284 WeakPolarHBondContact O-CB 3.49Å; E247-P284 HydrophobicContact CG-CB 3.63Å; E247-P284 HydrophobicContact CG-CG 4.09Å; E247-P284 VanDerWaalsContact OE1-CD 3.23Å; E247-P284 WeakPolarHBondContact OE1-CD 3.29Å; E247-P284 WeakPolarHBondContact OE1-CG 3.32Å
285R79.5Confident71.5Confident125 Ų12562.6 Ų62.647%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-149.9131.6-176.4-171.7177.5177.7160.7-2.8108.6E235 V242 L243 S283E235-R285 IonicContact OE2-NH2 3.88Å; V242-R285 HydrophobicContact CG1-CG 3.83Å; L243-R285 CarbonylContact O-C 3.58Å; L243-R285 WeakPolarHBondContact O-CA 3.32Å; L243-R285 VanDerWaalsContact O-CG 3.28Å; L243-R285 WeakPolarHBondContact O-CG 3.44Å; S283-R285 PolarHBondContact O-N 2.87Å; S283-R285 PolarHBondContact OG-O 2.95Å
286Y80.8Confident71.8Confident34 Ų3467.1 Ų67.113%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-149128.8-177.7-172.5-104.4000113L243 V260 S276 V281 V288L243-Y286 PolarHBondContact N-O 3.21Å; L243-Y286 PolarHBondContact O-N 3.33Å; V260-Y286 HydrophobicContact CB-CD1 4.34Å; V260-Y286 HydrophobicContact CG2-CD1 3.92Å; V260-Y286 HydrophobicContact CG2-CG 4.18Å; S276-Y286 VanDerWaalsContact CA-OH 3.25Å; S276-Y286 WeakPolarHBondContact CA-OH 3.43Å; S276-Y286 PolarHBondContact O-OH 2.81Å; V281-Y286 HydrophobicContact CB-CD2 4.23Å; V281-Y286 HydrophobicContact CG1-CD2 3.8Å; V281-Y286 HydrophobicContact CG1-CG 4.24Å; V281-Y286 HydrophobicContact CG2-CD1 4.47Å; V281-Y286 HydrophobicContact CG2-CD2 3.37Å; V281-Y286 HydrophobicContact CG2-CE2 3.72Å; V281-Y286 HydrophobicContact CG2-CG 3.8Å; Y286-V288 HydrophobicContact CD1-CG2 3.84Å; Y286-V288 HydrophobicContact CE1-CG2 4.14Å
287P77.7Confident72.5Confident45 Ų4567.4 Ų67.429%0.29235%0.346SS..EExtended strand (participates in β ladder)trans-79.1122.417133.3-34000111.4V241 V242 F289V241-P287 CarbonylContact O-C 3.57Å; V241-P287 WeakPolarHBondContact O-CA 3.38Å; V242-P287 HydrophobicContact CG2-CB 3.96Å; P287-F289 HydrophobicContact CB-CD2 4.32Å; P287-F289 HydrophobicContact CB-CE1 4.29Å; P287-F289 HydrophobicContact CB-CE2 3.51Å; P287-F289 HydrophobicContact CB-CZ 3.49Å; P287-F289 VanDerWaalsContact CB-CZ 3.49Å; P287-F289 HydrophobicContact CG-CE2 3.57Å; P287-F289 HydrophobicContact CG-CZ 3.83Å
288V77.6Confident73.8Confident1 Ų163 Ų631%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-101.2115.9170.8-175.10000109.1Y240 V241 L243 V260 A275 Y286 L291 F299Y240-V288 CarbonylContact C-O 3.56Å; Y240-V288 VanDerWaalsContact CA-O 3.26Å; Y240-V288 WeakPolarHBondContact CA-O 3.36Å; Y240-V288 VanDerWaalsContact CB-O 3.32Å; Y240-V288 WeakPolarHBondContact CB-O 3.49Å; V241-V288 HydrophobicContact CG1-CB 3.99Å; V241-V288 PolarHBondContact N-O 3.43Å; V241-V288 PolarHBondContact O-N 2.84Å; L243-V288 HydrophobicContact CD1-CG2 3.86Å; L243-V288 HydrophobicContact CG-CG2 4.42Å; V260-V288 HydrophobicContact CG1-CG2 4.12Å; A275-V288 HydrophobicContact CB-CG1 3.94Å; A275-V288 HydrophobicContact CB-CG2 4.22Å; Y286-V288 HydrophobicContact CD1-CG2 3.84Å; Y286-V288 HydrophobicContact CE1-CG2 4.14Å; V288-L291 HydrophobicContact CG1-CD2 4.06Å; V288-L291 HydrophobicContact CG1-CG 4.48Å; V288-F299 HydrophobicContact CB-CE1 4.24Å; V288-F299 HydrophobicContact CG1-CE1 3.98Å; V288-F299 HydrophobicContact CG2-CD1 4.38Å; V288-F299 HydrophobicContact CG2-CE1 4.14Å
289F75.6Confident75.5Confident107 Ų10760.2 Ų60.247%0.46931%0.309SS..  trans-98.4-178.4-178.7-58-81.9000112Y240 P287 L291Y240-F289 HydrophobicContact CD1-CD1 4.33Å; Y240-F289 HydrophobicContact CD1-CE1 4.4Å; Y240-F289 HydrophobicContact CD2-CE1 4.34Å; Y240-F289 AromaticContact CG-CD1 3.94Å; Y240-F289 HydrophobicContact CG-CD1 3.94Å; Y240-F289 HydrophobicContact CG-CE1 4.08Å; P287-F289 HydrophobicContact CB-CD2 4.32Å; P287-F289 HydrophobicContact CB-CE1 4.29Å; P287-F289 HydrophobicContact CB-CE2 3.51Å; P287-F289 HydrophobicContact CB-CZ 3.49Å; P287-F289 VanDerWaalsContact CB-CZ 3.49Å; P287-F289 HydrophobicContact CG-CE2 3.57Å; P287-F289 HydrophobicContact CG-CZ 3.83Å; F289-L291 VanDerWaalsContact C-N 3.3Å; F289-L291 PolarHBondContact O-N 2.62Å
290D72.8Confident77.2Confident127 Ų12759.7 Ų59.768%0.67930%0.301SS*.  trans57.637.7176.5-54.7-38.2000114.4T239T239-D290 PolarHBondContact O-N 3.16Å
291L77.8Confident78.4Confident7 Ų759 Ų594%0.03730%0.297CS..PPolyproline II helixtrans-89.7143175.8-56.5-179.3000111T239 V241 V288 F289 Y297 F299 L321T239-L291 PolarHBondContact O-N 3.35Å; V241-L291 HydrophobicContact CB-CD1 4Å; V241-L291 HydrophobicContact CG1-CD1 3.61Å; V288-L291 HydrophobicContact CG1-CD2 4.06Å; V288-L291 HydrophobicContact CG1-CG 4.48Å; F289-L291 VanDerWaalsContact C-N 3.3Å; F289-L291 PolarHBondContact O-N 2.62Å; L291-Y297 HydrophobicContact CB-CE2 4.01Å; L291-Y297 HydrophobicContact CD2-CD1 4.1Å; L291-Y297 HydrophobicContact CD2-CD2 4.35Å; L291-Y297 HydrophobicContact CD2-CE1 3.9Å; L291-Y297 HydrophobicContact CD2-CE2 4.18Å; L291-Y297 HydrophobicContact CD2-CG 4.32Å; L291-F299 HydrophobicContact CD1-CZ 4.05Å; L291-F299 HydrophobicContact CD2-CZ 4.42Å; L291-L321 HydrophobicContact CB-CD1 3.23Å; L291-L321 HydrophobicContact CD1-CD1 3.8Å; L291-L321 HydrophobicContact CG-CD1 4.17Å
292V78.4Confident79Confident76 Ų7660.6 Ų60.646%0.46130%0.302SS..PPolyproline II helixtrans-85.2125.6-178.3-176.70000109.5K295 Y297V292-K295 HydrophobicContact CB-CB 4.35Å; V292-K295 HydrophobicContact CB-CG 3.84Å; V292-K295 HydrophobicContact CG1-CG 3.81Å; V292-K295 WeakPolarHBondContact O-CB 3.14Å; V292-K295 PolarHBondContact O-N 2.94Å; V292-Y297 PolarHBondContact N-OH 3.24Å
293K66.9Low79.6Confident101 Ų10154.8 Ų54.844%0.43927%0.271SS..THydrogen-bonded Turntrans-53.3142.2174.1-172.4172.3178.1159.40111.3D238 K295D238-K293 HydrophobicContact CB-CD 4.27Å; D238-K293 WeakPolarHBondContact OD2-CE 3.42Å; D238-K293 IonicContact OD2-NZ 2.69Å; D238-K293 PolarHBondContact OD2-NZ 3.36Å; K293-K295 PolarHBondContact O-N 3.18Å
294D69.9Low79.8Confident122 Ų12252.2 Ų52.265%0.65225%0.253SS*.THydrogen-bonded Turntrans63.915-179-52.8-48.1000115.5L321D294-L321 WeakPolarHBondContact CA-O 3.27Å; D294-L321 PolarHBondContact N-O 2.81Å
295K73.5Confident79.4Confident86 Ų8649.9 Ų49.937%0.37424%0.238SC..  trans-102.3155.9170.3-65.3-65.4-173177.90112.1V292 K293 Y297V292-K295 HydrophobicContact CB-CB 4.35Å; V292-K295 HydrophobicContact CB-CG 3.84Å; V292-K295 HydrophobicContact CG1-CG 3.81Å; V292-K295 WeakPolarHBondContact O-CB 3.14Å; V292-K295 PolarHBondContact O-N 2.94Å; K293-K295 PolarHBondContact O-N 3.18Å; K295-Y297 HydrophobicContact CB-CD2 4.44Å; K295-Y297 HydrophobicContact CB-CE2 3.69Å
296Q79.9Confident78.6Confident100 Ų10047.5 Ų47.547%0.46723%0.231SC..EExtended strand (participates in β ladder)trans-101.1132.9175.6-73.7-170.1-28.400111.5S265 I319 S320S265-Q296 PolarHBondContact N-O 3.45Å; Q296-I319 WeakPolarHBondContact CA-O 3.17Å; Q296-S320 WeakPolarHBondContact CG-OG 3.49Å; Q296-S320 PolarHBondContact NE2-OG 3.45Å; Q296-S320 VanDerWaalsContact NE2-OG 3.15Å
297Y84Confident78Confident7 Ų750 Ų503%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-127142.3178.7-65.1-88.6000110.6N263 Q264 L291 V292 K295 F299 I319 L321N263-Y297 WeakPolarHBondContact O-CA 3.45Å; Q264-Y297 HydrophobicContact CB-CD1 4.03Å; Q264-Y297 HydrophobicContact CB-CE1 3.77Å; Q264-Y297 HydrophobicContact CG-CD1 4.19Å; Q264-Y297 HydrophobicContact CG-CE1 3.68Å; Q264-Y297 PolarHBondContact NE2-OH 2.85Å; L291-Y297 HydrophobicContact CB-CE2 4.01Å; L291-Y297 HydrophobicContact CD2-CD1 4.1Å; L291-Y297 HydrophobicContact CD2-CD2 4.35Å; L291-Y297 HydrophobicContact CD2-CE1 3.9Å; L291-Y297 HydrophobicContact CD2-CE2 4.18Å; L291-Y297 HydrophobicContact CD2-CG 4.32Å; V292-Y297 PolarHBondContact N-OH 3.24Å; K295-Y297 HydrophobicContact CB-CD2 4.44Å; K295-Y297 HydrophobicContact CB-CE2 3.69Å; Y297-F299 HydrophobicContact CG-CZ 4.26Å; Y297-I319 PolarHBondContact N-O 2.8Å; Y297-I319 PolarHBondContact O-N 3.15Å; Y297-L321 HydrophobicContact CD2-CD1 4.31Å; Y297-L321 HydrophobicContact CE2-CD1 4.15Å
298C85.9Confident77.6Confident24 Ų2447.9 Ų47.916%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-115.3146.1164.1-59.50000108.9R262 N263 W272R262-C298 WeakPolarHBondContact CA-O 3.5Å; N263-C298 PolarHBondContact N-O 3.06Å; N263-C298 PolarHBondContact O-N 3.44Å; W272-C298 HydrophobicContact CH2-CB 4.32Å
299F88.1Confident77.4Confident0 Ų048.3 Ų48.30%023%0.23CC..EExtended strand (participates in β ladder)trans-125.4145.2-179-58.1-86.8000110.9V231 V241 L243 V260 E261 R262 V288 L291 Y297 P315 S316 I319V231-F299 HydrophobicContact CG1-CB 4.48Å; V241-F299 HydrophobicContact CG1-CE1 4.27Å; V241-F299 HydrophobicContact CG1-CE2 3.79Å; V241-F299 HydrophobicContact CG1-CZ 3.57Å; L243-F299 HydrophobicContact CD1-CB 3.52Å; L243-F299 HydrophobicContact CD1-CD1 3.67Å; L243-F299 HydrophobicContact CD1-CD2 4.1Å; L243-F299 HydrophobicContact CD1-CE1 4.41Å; L243-F299 HydrophobicContact CD1-CG 3.48Å; L243-F299 VanDerWaalsContact CD1-CG 3.48Å; L243-F299 HydrophobicContact CD2-CB 4.21Å; L243-F299 HydrophobicContact CD2-CD2 3.75Å; L243-F299 HydrophobicContact CD2-CE2 4.32Å; L243-F299 HydrophobicContact CD2-CG 4Å; L243-F299 HydrophobicContact CG-CD2 4.49Å; L243-F299 HydrophobicContact CG-CG 4.33Å; V260-F299 HydrophobicContact CG1-CD1 4.41Å; E261-F299 WeakPolarHBondContact O-CA 3.31Å; R262-F299 HydrophobicContact CB-CD1 3.58Å; R262-F299 HydrophobicContact CB-CE1 3.51Å; V288-F299 HydrophobicContact CB-CE1 4.24Å; V288-F299 HydrophobicContact CG1-CE1 3.98Å; V288-F299 HydrophobicContact CG2-CD1 4.38Å; V288-F299 HydrophobicContact CG2-CE1 4.14Å; L291-F299 HydrophobicContact CD1-CZ 4.05Å; L291-F299 HydrophobicContact CD2-CZ 4.42Å; Y297-F299 HydrophobicContact CG-CZ 4.26Å; F299-P315 CarbonylContact O-C 3.56Å; F299-P315 WeakPolarHBondContact O-CA 3.49Å; F299-S316 PolarHBondContact N-OG 2.86Å; F299-S316 PolarHBondContact O-N 2.9Å; F299-I319 HydrophobicContact CD2-CD1 3.67Å; F299-I319 HydrophobicContact CE2-CD1 3.77Å
300R89.7Confident77.6Confident43 Ų4343.4 Ų43.416%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-137.6158.3170.669.9-171.6-170.7174.9-2.7109.8E261 W272 P312 S313E261-R300 HydrophobicContact CB-CG 3.98Å; E261-R300 PolarHBondContact N-O 2.9Å; E261-R300 PolarHBondContact O-N 2.84Å; E261-R300 IonicContact OE2-CZ 3.95Å; E261-R300 IonicContact OE2-NE 2.92Å; E261-R300 PolarHBondContact OE2-NE 2.8Å; E261-R300 IonicContact OE2-NH2 2.68Å; E261-R300 PolarHBondContact OE2-NH2 3.37Å; W272-R300 VanDerWaalsContact CD1-CZ 3.49Å; W272-R300 HydrophobicContact CD2-CG 4.33Å; W272-R300 VanDerWaalsContact CD2-CZ 3.46Å; W272-R300 VanDerWaalsContact CD2-NE 3.29Å; W272-R300 HydrophobicContact CE3-CG 3.69Å; W272-R300 VanDerWaalsContact CG-NH2 3.25Å; W272-R300 HydrophobicContact CH2-CB 4.42Å; W272-R300 HydrophobicContact CH2-CG 4.18Å; W272-R300 HydrophobicContact CZ3-CB 4.11Å; W272-R300 HydrophobicContact CZ3-CG 3.61Å; R300-P312 HydrophobicContact CG-CB 4.28Å; R300-S313 WeakPolarHBondContact CA-OG 3.44Å
301V87.5Confident78Confident0 Ų043.1 Ų43.10%021%0.207CC..EExtended strand (participates in β ladder)trans-127.4141.1-172.5-170.70000109.8P228 V231 W245 F258 Y259 V260 S313P228-V301 HydrophobicContact CB-CB 4.36Å; P228-V301 HydrophobicContact CB-CG1 4.45Å; P228-V301 WeakPolarHBondContact CD-O 3.37Å; P228-V301 HydrophobicContact CG-CB 4.14Å; P228-V301 HydrophobicContact CG-CG1 3.9Å; V231-V301 HydrophobicContact CG1-CG2 3.95Å; V231-V301 HydrophobicContact CG2-CB 4.31Å; V231-V301 HydrophobicContact CG2-CG2 3.79Å; W245-V301 HydrophobicContact CD2-CB 4.45Å; W245-V301 HydrophobicContact CD2-CG1 4.07Å; W245-V301 HydrophobicContact CD2-CG2 3.91Å; W245-V301 HydrophobicContact CE3-CG2 3.76Å; W245-V301 HydrophobicContact CG-CG2 4.39Å; W245-V301 HydrophobicContact CH2-CG1 4.32Å; W245-V301 HydrophobicContact CZ2-CG1 3.89Å; W245-V301 HydrophobicContact CZ3-CG2 4.11Å; F258-V301 HydrophobicContact CB-CG1 3.9Å; F258-V301 HydrophobicContact CD1-CG1 4.24Å; F258-V301 HydrophobicContact CG-CG1 4.4Å; Y259-V301 WeakPolarHBondContact O-CA 3.4Å; Y259-V301 WeakPolarHBondContact O-CG1 2.89Å; V260-V301 HydrophobicContact CG2-CG2 4.4Å; V301-S313 PolarHBondContact N-OG 3.45Å; V301-S313 WeakPolarHBondContact O-CB 3.24Å; V301-S313 PolarHBondContact O-N 3.45Å
302R87.1Confident78.2Confident40 Ų4044.8 Ų44.815%0.15122%0.218CC..EExtended strand (participates in β ladder)trans-113.3144.9170.2-68.1174.9-175.7-90.54.8109.7F258 Y259 E261 V309 S310 P312F258-R302 WeakPolarHBondContact CA-O 3.14Å; F258-R302 WeakPolarHBondContact CB-O 3.17Å; Y259-R302 PolarHBondContact N-O 2.74Å; Y259-R302 PolarHBondContact O-N 3.2Å; E261-R302 WeakPolarHBondContact OE1-CD 3.4Å; E261-R302 IonicContact OE1-CZ 3.12Å; E261-R302 IonicContact OE1-NE 2.71Å; E261-R302 PolarHBondContact OE1-NE 2.61Å; E261-R302 IonicContact OE1-NH2 3.14Å; E261-R302 IonicContact OE2-NE 3.88Å; R302-V309 HydrophobicContact CB-CG1 4.04Å; R302-V309 HydrophobicContact CG-CG1 4.46Å; R302-S310 PolarHBondContact NH1-O 2.95Å; R302-P312 HydrophobicContact CG-CB 4.13Å; R302-P312 VanDerWaalsContact NH1-CD 3.35Å
303S83.6Confident78.7Confident0 Ų041.5 Ų41.50%020%0.199CC..EExtended strand (participates in β ladder)trans-100.8153.4171.764.80000110.7P225 F226 T257 S310P225-S303 WeakPolarHBondContact CB-OG 3.48Å; P225-S303 WeakPolarHBondContact CG-O 3.36Å; P225-S303 VanDerWaalsContact CG-OG 3.3Å; P225-S303 WeakPolarHBondContact CG-OG 3.46Å; F226-S303 PolarHBondContact O-OG 2.99Å; T257-S303 CarbonylContact O-C 3.4Å; T257-S303 WeakPolarHBondContact O-CA 3.43Å; S303-S310 PolarHBondContact N-OG 2.81Å; S303-S310 PolarHBondContact O-N 3Å; S303-S310 PolarHBondContact O-OG 2.88Å; S303-S310 VanDerWaalsContact O-OG 3.09Å; S303-S310 VanDerWaalsContact OG-CB 3.27Å; S303-S310 WeakPolarHBondContact OG-CB 3.43Å; S303-S310 PolarHBondContact OG-OG 2.81Å
304I78Confident79.5Confident1 Ų143.6 Ų43.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-142.6136.5-170.7-44.8161.2000108.9F114 L256 T257 Y259 V309F114-I304 HydrophobicContact CE2-CG2 3.73Å; F114-I304 HydrophobicContact CZ-CG2 3.99Å; L256-I304 WeakPolarHBondContact CA-O 3.35Å; T257-I304 PolarHBondContact N-O 3.16Å; T257-I304 PolarHBondContact O-N 3.08Å; Y259-I304 HydrophobicContact CD2-CD1 3.08Å; Y259-I304 HydrophobicContact CD2-CG1 4.18Å; Y259-I304 HydrophobicContact CE2-CD1 3.27Å; Y259-I304 HydrophobicContact CG-CD1 3.98Å; I304-V309 HydrophobicContact CG1-CG1 4.39Å; I304-V309 HydrophobicContact CG1-CG2 4.44Å; I304-V309 HydrophobicContact CG2-CG2 4.28Å
305N74.1Confident80.2Confident2 Ų241.1 Ų41.11%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-129.2179.7164.869.912.7000109.2F114 K223 P225 E254 L256 Y307 G308F114-N305 WeakPolarHBondContact CZ-O 3.39Å; K223-N305 PolarHBondContact O-ND2 2.87Å; K223-N305 VanDerWaalsContact O-ND2 3.15Å; P225-N305 HydrophobicContact CG-CB 4.41Å; E254-N305 HydrophobicContact CB-CB 4.09Å; L256-N305 HydrophobicContact CD2-CB 4.48Å; N305-Y307 PolarHBondContact O-N 2.91Å; N305-Y307 WeakPolarHBondContact OD1-CA 3.32Å; N305-Y307 WeakPolarHBondContact OD1-CB 3.35Å; N305-Y307 PolarHBondContact OD1-N 3.4Å; N305-G308 PolarHBondContact N-O 3.16Å; N305-G308 VanDerWaalsContact N-O 3.15Å; N305-G308 PolarHBondContact O-N 3.34Å; N305-G308 PolarHBondContact OD1-N 3.1Å; N305-G308 VanDerWaalsContact OD1-N 3.11Å; N305-G308 PolarHBondContact OD1-O 2.76Å
306K62.6Low80.7Confident75 Ų7537.3 Ų37.333%0.32619%0.19SC..THydrogen-bonded Turntrans-63.7-6.6178.974.5178-176.1-162.10115.2T116 E254T116-K306 WeakPolarHBondContact CG2-O 3.25Å; E254-K306 VanDerWaalsContact CD-NZ 3.29Å; E254-K306 HydrophobicContact CG-CD 4.18Å; E254-K306 HydrophobicContact CG-CG 4.07Å; E254-K306 WeakPolarHBondContact OE1-CE 3.43Å; E254-K306 IonicContact OE1-NZ 2.77Å; E254-K306 PolarHBondContact OE1-NZ 3.16Å; E254-K306 VanDerWaalsContact OE2-CD 3.31Å; E254-K306 WeakPolarHBondContact OE2-CD 3.16Å; E254-K306 IonicContact OE2-NZ 2.78Å
307Y68Low80.8Confident86 Ų8637.1 Ų37.134%0.33720%0.197SC..THydrogen-bonded Turntrans-105.2-11.5-177.5-57.3-75.6000113.1V222 E254 N305V222-Y307 HydrophobicContact CB-CD1 4.02Å; V222-Y307 HydrophobicContact CB-CD2 4.23Å; V222-Y307 HydrophobicContact CB-CE1 3.75Å; V222-Y307 HydrophobicContact CB-CE2 3.98Å; V222-Y307 HydrophobicContact CB-CG 4.23Å; V222-Y307 HydrophobicContact CG1-CD1 4.14Å; V222-Y307 HydrophobicContact CG1-CD2 3.44Å; V222-Y307 VanDerWaalsContact CG1-CD2 3.44Å; V222-Y307 HydrophobicContact CG1-CE1 3.95Å; V222-Y307 HydrophobicContact CG1-CE2 3.21Å; V222-Y307 HydrophobicContact CG1-CG 3.89Å; V222-Y307 VanDerWaalsContact CG1-CZ 3.46Å; V222-Y307 HydrophobicContact CG2-CE1 4.31Å; E254-Y307 HydrophobicContact CG-CD2 4.26Å; E254-Y307 HydrophobicContact CG-CE2 3.68Å; N305-Y307 PolarHBondContact O-N 2.91Å; N305-Y307 WeakPolarHBondContact OD1-CA 3.32Å; N305-Y307 WeakPolarHBondContact OD1-CB 3.35Å; N305-Y307 PolarHBondContact OD1-N 3.4Å
308G67.9Low80.7Confident1 Ų140.8 Ų40.81%0.0122%0.222CC..EExtended strand (participates in β ladder)trans154.6-178.3175.500000114.3P225 N305P225-G308 VanDerWaalsContact CD-O 3.27Å; P225-G308 WeakPolarHBondContact CD-O 3.31Å; N305-G308 PolarHBondContact N-O 3.16Å; N305-G308 VanDerWaalsContact N-O 3.15Å; N305-G308 PolarHBondContact O-N 3.34Å; N305-G308 PolarHBondContact OD1-N 3.1Å; N305-G308 VanDerWaalsContact OD1-N 3.11Å; N305-G308 PolarHBondContact OD1-O 2.76Å
309V75.2Confident80.4Confident9 Ų940.6 Ų40.66%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-101.6142.4179.1-174.50000109.2F114 P157 R302 I304F114-V309 HydrophobicContact CD2-CG2 3.81Å; F114-V309 HydrophobicContact CE2-CG2 4Å; P157-V309 HydrophobicContact CB-CG2 4.13Å; P157-V309 HydrophobicContact CG-CG2 4.33Å; R302-V309 HydrophobicContact CB-CG1 4.04Å; R302-V309 HydrophobicContact CG-CG1 4.46Å; I304-V309 HydrophobicContact CG1-CG1 4.39Å; I304-V309 HydrophobicContact CG1-CG2 4.44Å; I304-V309 HydrophobicContact CG2-CG2 4.28Å
310S79.9Confident79.8Confident4 Ų443.4 Ų43.43%0.02824%0.239CC..PPolyproline II helixtrans-78.5166.1174.862.70000113.5P225 R302 S303P225-S310 WeakPolarHBondContact O-CB 3.36Å; R302-S310 PolarHBondContact NH1-O 2.95Å; S303-S310 PolarHBondContact N-OG 2.81Å; S303-S310 PolarHBondContact O-N 3Å; S303-S310 PolarHBondContact O-OG 2.88Å; S303-S310 VanDerWaalsContact O-OG 3.09Å; S303-S310 VanDerWaalsContact OG-CB 3.27Å; S303-S310 WeakPolarHBondContact OG-CB 3.43Å; S303-S310 PolarHBondContact OG-OG 2.81Å
311D81.1Confident78.8Confident122 Ų12241.6 Ų41.665%0.65223%0.232SC*.PPolyproline II helixtrans-53.8153.5161-70.8-38.5000110.7P227P227-D311 WeakPolarHBondContact CB-O 3.4Å
312P81.3Confident77.3Confident41 Ų4143 Ų4327%0.26625%0.247SC..PPolyproline II helixtrans-73148.5178.730-29.1000111.3R300 R302R300-P312 HydrophobicContact CG-CB 4.28Å; R302-P312 HydrophobicContact CG-CB 4.13Å; R302-P312 VanDerWaalsContact NH1-CD 3.35Å
313S88.2Confident75.4Confident7 Ų749.9 Ų49.95%0.04928%0.278CS..PPolyproline II helixtrans-60.3163.1170.175.40000112P228 V231 R300 V301P228-S313 WeakPolarHBondContact O-CB 3.42Å; V231-S313 VanDerWaalsContact CG2-OG 3.32Å; V231-S313 WeakPolarHBondContact CG2-OG 3.44Å; R300-S313 WeakPolarHBondContact CA-OG 3.44Å; V301-S313 PolarHBondContact N-OG 3.45Å; V301-S313 WeakPolarHBondContact O-CB 3.24Å; V301-S313 PolarHBondContact O-N 3.45Å
314D84.9Confident73.8Confident145 Ų14556 Ų5678%0.77532%0.318SS*.PPolyproline II helixtrans-54.7138.2160.8-71.2-35000109.8
315P83.4Confident72.6Confident70 Ų7059.6 Ų59.646%0.45533%0.334SS..PPolyproline II helixtrans-62144.6175.6-26.236.1000113.1W272 F299W272-P315 HydrophobicContact CH2-CB 3.92Å; W272-P315 HydrophobicContact CH2-CG 3.83Å; W272-P315 HydrophobicContact CZ2-CG 3.97Å; F299-P315 CarbonylContact O-C 3.56Å; F299-P315 WeakPolarHBondContact O-CA 3.49Å
316S84.8Confident71.7Confident6 Ų663.5 Ų63.54%0.04237%0.367CS..PPolyproline II helixtrans-59.1156.1168.176.60000111.2V231 F299V231-S316 VanDerWaalsContact O-CB 3.25Å; V231-S316 WeakPolarHBondContact O-CB 3.36Å; F299-S316 PolarHBondContact N-OG 2.86Å; F299-S316 PolarHBondContact O-N 2.9Å
317P81.6Confident71.7Confident96 Ų9663.9 Ų63.962%0.62338%0.375SS*.PPolyproline II helixtrans-53.6151.6164.6-24.234.1000111.7I319P317-I319 PolarHBondContact O-N 2.78Å
318P81.4Confident72Confident84 Ų8460.3 Ų60.355%0.54536%0.363SS..PPolyproline II helixtrans-60.8121.8177.8-22.832.6000112.4
319I80.3Confident72.4Confident20 Ų2062.4 Ų62.410%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-100.1128.1-179.3-68.6148.3000109.5A233 L236 V241 L243 Q296 Y297 F299 P317 L321A233-I319 HydrophobicContact CB-CD1 3.7Å; A233-I319 HydrophobicContact CB-CG1 4.09Å; L236-I319 HydrophobicContact CD2-CG2 3.42Å; L236-I319 VanDerWaalsContact CD2-CG2 3.42Å; V241-I319 HydrophobicContact CG2-CG2 4.44Å; L243-I319 HydrophobicContact CD2-CD1 4.3Å; Q296-I319 WeakPolarHBondContact CA-O 3.17Å; Y297-I319 PolarHBondContact N-O 2.8Å; Y297-I319 PolarHBondContact O-N 3.15Å; F299-I319 HydrophobicContact CD2-CD1 3.67Å; F299-I319 HydrophobicContact CE2-CD1 3.77Å; P317-I319 PolarHBondContact O-N 2.78Å; I319-L321 HydrophobicContact CG2-CD2 4.43Å
320S76.1Confident72.7Confident59 Ų5964.6 Ų64.641%0.41339%0.39SS..EExtended strand (participates in β ladder)trans-110.6124177.7-51.90000110.7Q296Q296-S320 WeakPolarHBondContact CG-OG 3.49Å; Q296-S320 PolarHBondContact NE2-OG 3.45Å; Q296-S320 VanDerWaalsContact NE2-OG 3.15Å
321L67.3Low73Confident5 Ų564.5 Ų64.53%0.02639%0.389CS..SBendtrans-89.8133.2178.9-56169.9000110.4L236 S237 L291 D294 Y297 I319L236-L321 HydrophobicContact CD2-CD2 3.89Å; S237-L321 WeakPolarHBondContact O-CD2 3.39Å; L291-L321 HydrophobicContact CB-CD1 3.23Å; L291-L321 HydrophobicContact CD1-CD1 3.8Å; L291-L321 HydrophobicContact CG-CD1 4.17Å; D294-L321 WeakPolarHBondContact CA-O 3.27Å; D294-L321 PolarHBondContact N-O 2.81Å; Y297-L321 HydrophobicContact CD2-CD1 4.31Å; Y297-L321 HydrophobicContact CE2-CD1 4.15Å; I319-L321 HydrophobicContact CG2-CD2 4.43Å
322G56.5Low73.1Confident30 Ų3061.7 Ų61.731%0.30937%0.373SS..SBendtrans107.43.5168.800000119.3
323K48.2Very low73.2Confident184 Ų18462.6 Ų62.680%0.838%0.379SS*.PPolyproline II helixtrans-89.9132.7171.6-81.4-176179177.50111.7Q325K323-Q325 PolarHBondContact O-N 3.37Å
324P48.3Very low73.1Confident129 Ų12962.8 Ų62.884%0.83838%0.381SS*.PPolyproline II helixtrans-63.8127.3176.823.9-30.6000110.8
325Q52.9Low72.8Confident77 Ų7758.9 Ų58.936%0.3636%0.359SS..PPolyproline II helixtrans-76.9130.8-178-151.8173.42700109.5K323 N356 A406K323-Q325 PolarHBondContact O-N 3.37Å; Q325-N356 VanDerWaalsContact NE2-CG 3.3Å; Q325-N356 PolarHBondContact NE2-ND2 2.78Å; Q325-N356 PolarHBondContact NE2-OD1 2.81Å; Q325-A406 HydrophobicContact CB-CB 4.21Å; Q325-A406 WeakPolarHBondContact O-CB 3.39Å
326A56.6Low72.5Confident83 Ų8355.6 Ų55.669%0.68634%0.338SS*.PPolyproline II helixtrans-69.9143.9-179.600000111.8
327V62.7Low71.9Confident83 Ų8359.8 Ų59.850%0.50336%0.359SS..PPolyproline II helixtrans-64137.4172.2179.80000108.9A406 N408V327-A406 HydrophobicContact CG2-CB 4.42Å; V327-N408 WeakPolarHBondContact CG1-O 3Å
328P73.4Confident70.9Confident12 Ų1261.5 Ų61.58%0.07835%0.353CS..PPolyproline II helixtrans-68.9152.5-172.829.1-35.3000110.8I357 S402 S404 S409P328-I357 HydrophobicContact CB-CG1 3.97Å; P328-S402 WeakPolarHBondContact CG-OG 3.25Å; P328-S404 VanDerWaalsContact CD-OG 3.28Å; P328-S404 WeakPolarHBondContact CD-OG 3.42Å; P328-S409 WeakPolarHBondContact O-CB 3.12Å
329P75.4Confident69.6Low45 Ų4561.2 Ų61.229%0.29235%0.347SS..PPolyproline II helixtrans-64.8149.1173.713.9-14.7000111.7P351 D353 S402P329-P351 HydrophobicContact CB-CB 3.98Å; P329-P351 HydrophobicContact CG-CB 3.66Å; P329-P351 VanDerWaalsContact O-CG 3.22Å; P329-P351 WeakPolarHBondContact O-CG 3.21Å; P329-D353 HydrophobicContact CG-CB 4.08Å; P329-S402 PolarHBondContact O-OG 2.88Å
330P83.1Confident68.7Low54 Ų5462.6 Ų62.635%0.35136%0.357SS..PPolyproline II helixtrans-67.1146.117829.1-34.6000111.3K410P330-K410 WeakPolarHBondContact CB-O 3.3Å
331P86.3Confident68.1Low2 Ų261.9 Ų61.91%0.01335%0.348CS..PPolyproline II helixtrans-61.5155.4168.6-18.531.8000111.3W348 Y360 V400 S412P331-W348 HydrophobicContact CB-CG 4.37Å; P331-Y360 HydrophobicContact CG-CD1 3.74Å; P331-Y360 HydrophobicContact CG-CE1 3.83Å; P331-V400 HydrophobicContact CG-CB 4.39Å; P331-V400 HydrophobicContact CG-CG1 4.09Å; P331-S412 WeakPolarHBondContact O-CA 3.3Å; P331-S412 WeakPolarHBondContact O-CB 3.28Å
332H82.6Confident68.1Low64 Ų6464.6 Ų64.630%0.29637%0.365SS..EExtended strand (participates in β ladder)trans-129.6170.6177.95879.7000111.9Q349H332-Q349 PolarHBondContact CE1-OE1 3.14Å; H332-Q349 PolarHBondContact N-O 3.36Å; H332-Q349 PolarHBondContact ND1-OE1 2.89Å; H332-Q349 VanDerWaalsContact ND1-OE1 3.13Å; H332-Q349 PolarHBondContact O-N 2.7Å
333S83.8Confident68.9Low59 Ų5963.2 Ų63.241%0.41335%0.351SS..EExtended strand (participates in β ladder)trans57.252.6177.2-45.50000113.3L335 Q349S333-L335 PolarHBondContact O-N 3.44Å; S333-L335 VanDerWaalsContact O-N 3.15Å; S333-Q349 PolarHBondContact OG-OE1 2.74Å
334V84.8Confident70.3Confident12 Ų1254.5 Ų54.57%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-72.7106177.6-175.90000110L346 Q347 W348 F398 V400 S412 S415V334-L346 HydrophobicContact CG1-CD1 3.61Å; V334-L346 HydrophobicContact CG1-CD2 4.17Å; V334-L346 HydrophobicContact CG1-CG 3.97Å; V334-Q347 CarbonylContact C-O 3.56Å; V334-Q347 WeakPolarHBondContact CA-O 3.31Å; V334-W348 HydrophobicContact CG2-CB 4.02Å; V334-F398 HydrophobicContact CG1-CB 4.46Å; V334-V400 HydrophobicContact CG1-CG2 4.03Å; V334-V400 HydrophobicContact CG2-CB 4.3Å; V334-V400 HydrophobicContact CG2-CG2 3.85Å; V334-S412 WeakPolarHBondContact CG2-OG 3.07Å; V334-S415 WeakPolarHBondContact O-CA 3.4Å; V334-S415 VanDerWaalsContact O-CB 3.25Å; V334-S415 WeakPolarHBondContact O-CB 3.31Å
335L79.8Confident71.9Confident62 Ų6248.9 Ų48.933%0.32528%0.276SS..EExtended strand (participates in β ladder)trans-95.6126.9176.5-64.2175.3000110.2S333 L346 Q347S333-L335 PolarHBondContact O-N 3.44Å; S333-L335 VanDerWaalsContact O-N 3.15Å; L335-L346 CarbonylContact O-C 3.49Å; L335-L346 WeakPolarHBondContact O-CA 3.25Å; L335-Q347 PolarHBondContact N-O 2.93Å; L335-Q347 PolarHBondContact O-N 2.91Å
336A77.2Confident73.4Confident1 Ų145.2 Ų45.21%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-110.1123.8170.400000108.4V344 V345 L346 F398 H416 I418A336-V344 HydrophobicContact CB-CG1 3.84Å; A336-V345 CarbonylContact C-O 3.58Å; A336-V345 WeakPolarHBondContact CA-O 3.4Å; A336-L346 HydrophobicContact CB-CD1 3.96Å; A336-F398 HydrophobicContact CB-CD2 3.7Å; A336-F398 HydrophobicContact CB-CE2 4.05Å; A336-H416 PolarHBondContact O-CE1 3.37Å; A336-H416 VanDerWaalsContact O-CE1 3.28Å; A336-H416 PolarHBondContact O-NE2 2.95Å; A336-I418 HydrophobicContact CB-CD1 4.38Å; A336-I418 HydrophobicContact CB-CG2 4.32Å; A336-I418 WeakPolarHBondContact O-CD1 3.49Å
337I72.6Confident74.8Confident95 Ų9545 Ų4549%0.48724%0.244SC..EExtended strand (participates in β ladder)trans-122.3129.7179.1-56.2173.4000108.1D339 V344 V345I337-D339 PolarHBondContact O-N 2.72Å; I337-V344 CarbonylContact O-C 3.6Å; I337-V345 PolarHBondContact N-O 3.12Å; I337-V345 PolarHBondContact O-N 2.84Å
338R60.6Low76.1Confident131 Ų13141.4 Ų41.449%0.49422%0.221SC..EExtended strand (participates in β ladder)trans-69.1127.6-178.9-174.1-173.869.7-142.1-1.7108.2T340 I418R338-T340 WeakPolarHBondContact CG-O 3.31Å; R338-I418 HydrophobicContact CB-CD1 3.77Å; R338-I418 HydrophobicContact CB-CG1 4.3Å
339D54Low76.7Confident79 Ų7945.1 Ų45.142%0.42224%0.237SC..  trans-102.5-54.2-179.6177.546.3000110.4I337 S343 V345I337-D339 PolarHBondContact O-N 2.72Å; D339-S343 WeakPolarHBondContact CB-OG 3.39Å; D339-S343 PolarHBondContact N-O 3.16Å; D339-S343 VanDerWaalsContact N-O 3.16Å; D339-S343 PolarHBondContact OD2-OG 2.73Å; D339-V345 HydrophobicContact CB-CG2 3.7Å
340T61.6Low76.9Confident49 Ų4946.9 Ų46.930%0.30124%0.242SC..SBendtrans-135.9-171.7175.471.10000112R338 T342 S343R338-T340 WeakPolarHBondContact CG-O 3.31Å; T340-T342 PolarHBondContact O-N 3.18Å; T340-T342 PolarHBondContact OG1-N 3.32Å; T340-S343 WeakPolarHBondContact CB-OG 3.34Å; T340-S343 WeakPolarHBondContact CG2-OG 3.2Å; T340-S343 PolarHBondContact N-O 2.9Å; T340-S343 VanDerWaalsContact N-O 3.14Å; T340-S343 PolarHBondContact N-OG 3.15Å; T340-S343 WeakPolarHBondContact OG1-CB 3.43Å; T340-S343 PolarHBondContact OG1-N 3.22Å; T340-S343 PolarHBondContact OG1-OG 3.27Å
341D61.6Low76.6Confident43 Ų4344.6 Ų44.623%0.2323%0.227CC..SBendtrans-73.2-4.2172.768.5-15.1000113.6T392 V420 K421D341-T392 HydrophobicContact CB-CG2 3.98Å; D341-T392 WeakPolarHBondContact O-CG2 3.38Å; D341-V420 VanDerWaalsContact C-CG1 3.47Å; D341-V420 WeakPolarHBondContact O-CG1 3.39Å; D341-K421 VanDerWaalsContact CA-O 3.25Å; D341-K421 WeakPolarHBondContact CA-O 3.2Å; D341-K421 WeakPolarHBondContact CB-O 3.35Å
342T67.8Low75.3Confident62 Ų6251.7 Ų51.738%0.3826%0.258SS..SBendtrans-1394.4177.456.90000113.8T340 H388 G389 L390T340-T342 PolarHBondContact O-N 3.18Å; T340-T342 PolarHBondContact OG1-N 3.32Å; T342-H388 CarbonylContact O-C 3.51Å; T342-G389 PolarHBondContact O-N 3.11Å; T342-L390 PolarHBondContact O-N 2.78Å
343S72.9Confident74.5Confident2 Ų254.6 Ų54.61%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-134.7150.8178.564.50000114.4D339 T340 V387D339-S343 WeakPolarHBondContact CB-OG 3.39Å; D339-S343 PolarHBondContact N-O 3.16Å; D339-S343 VanDerWaalsContact N-O 3.16Å; D339-S343 PolarHBondContact OD2-OG 2.73Å; T340-S343 WeakPolarHBondContact CB-OG 3.34Å; T340-S343 WeakPolarHBondContact CG2-OG 3.2Å; T340-S343 PolarHBondContact N-O 2.9Å; T340-S343 VanDerWaalsContact N-O 3.14Å; T340-S343 PolarHBondContact N-OG 3.15Å; T340-S343 WeakPolarHBondContact OG1-CB 3.43Å; T340-S343 PolarHBondContact OG1-N 3.22Å; T340-S343 PolarHBondContact OG1-OG 3.27Å; S343-V387 CarbonylContact C-O 3.51Å; S343-V387 WeakPolarHBondContact CA-O 2.96Å; S343-V387 WeakPolarHBondContact CB-O 3.36Å
344V78.4Confident73.3Confident0 Ų058 Ų580%028%0.283CS..EExtended strand (participates in β ladder)trans-131.3131.3175.6168.70000108.9A336 I337 V387 L390 F398 I418 V420A336-V344 HydrophobicContact CB-CG1 3.84Å; I337-V344 CarbonylContact O-C 3.6Å; V344-V387 PolarHBondContact N-O 2.99Å; V344-V387 PolarHBondContact O-N 2.96Å; V344-L390 HydrophobicContact CB-CD1 3.93Å; V344-L390 HydrophobicContact CG2-CD1 3.57Å; V344-F398 HydrophobicContact CB-CE2 4.36Å; V344-F398 HydrophobicContact CB-CZ 3.96Å; V344-F398 HydrophobicContact CG1-CE2 3.82Å; V344-F398 HydrophobicContact CG1-CZ 3.86Å; V344-F398 HydrophobicContact CG2-CE2 4.44Å; V344-F398 HydrophobicContact CG2-CZ 4.19Å; V344-I418 HydrophobicContact CG1-CD1 4.36Å; V344-I418 HydrophobicContact CG1-CG2 4.29Å; V344-I418 HydrophobicContact CG2-CD1 4.41Å; V344-I418 HydrophobicContact CG2-CG2 3.87Å; V344-V420 HydrophobicContact CG2-CG2 4.07Å
345V81.3Confident71.9Confident11 Ų1164.4 Ų64.47%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-81.6122.3169.4173.90000108.2A336 I337 D339 R384 I386A336-V345 CarbonylContact C-O 3.58Å; A336-V345 WeakPolarHBondContact CA-O 3.4Å; I337-V345 PolarHBondContact N-O 3.12Å; I337-V345 PolarHBondContact O-N 2.84Å; D339-V345 HydrophobicContact CB-CG2 3.7Å; V345-R384 HydrophobicContact CG1-CG 4.12Å; V345-I386 HydrophobicContact CG2-CD1 4.3Å; V345-I386 HydrophobicContact CG2-CG1 3.93Å
346L85.4Confident71.1Confident0 Ų065.4 Ų65.40%032%0.322CS..EExtended strand (participates in β ladder)trans-104.2134.1173.8-16074.1000110V334 L335 A336 W348 L362 R384 F385 V387 F398 V400V334-L346 HydrophobicContact CG1-CD1 3.61Å; V334-L346 HydrophobicContact CG1-CD2 4.17Å; V334-L346 HydrophobicContact CG1-CG 3.97Å; L335-L346 CarbonylContact O-C 3.49Å; L335-L346 WeakPolarHBondContact O-CA 3.25Å; A336-L346 HydrophobicContact CB-CD1 3.96Å; L346-W348 HydrophobicContact CB-CZ3 4.49Å; L346-W348 HydrophobicContact CD2-CE3 4.19Å; L346-W348 HydrophobicContact CD2-CZ3 4.16Å; L346-W348 HydrophobicContact CG-CE3 4.25Å; L346-W348 HydrophobicContact CG-CZ3 4.38Å; L346-L362 HydrophobicContact CD2-CB 4.46Å; L346-L362 HydrophobicContact CD2-CD2 3.62Å; L346-L362 HydrophobicContact CD2-CG 3.93Å; L346-R384 CarbonylContact O-C 3.49Å; L346-R384 VanDerWaalsContact O-CA 3.28Å; L346-R384 WeakPolarHBondContact O-CA 3.5Å; L346-F385 PolarHBondContact N-O 2.78Å; L346-F385 PolarHBondContact O-N 3.08Å; L346-V387 HydrophobicContact CB-CG2 4.5Å; L346-F398 HydrophobicContact CD1-CB 3.4Å; L346-F398 VanDerWaalsContact CD1-CB 3.4Å; L346-F398 HydrophobicContact CD1-CD1 4.12Å; L346-F398 HydrophobicContact CD1-CD2 4.11Å; L346-F398 HydrophobicContact CD1-CG 3.62Å; L346-F398 HydrophobicContact CD2-CB 4.16Å; L346-F398 HydrophobicContact CG-CB 4.45Å; L346-V400 HydrophobicContact CD2-CG2 3.86Å
347Q84.8Confident71.1Confident80 Ų8067 Ų6737%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-136.9144.3175-177.8171.7-14.100110V334 L335 T383 R384V334-Q347 CarbonylContact C-O 3.56Å; V334-Q347 WeakPolarHBondContact CA-O 3.31Å; L335-Q347 PolarHBondContact N-O 2.93Å; L335-Q347 PolarHBondContact O-N 2.91Å; Q347-T383 VanDerWaalsContact CA-O 3.3Å; Q347-T383 WeakPolarHBondContact CA-O 3.43Å; Q347-R384 HydrophobicContact CB-CG 4.45Å
348W91.3Very high71.3Confident6 Ų666.6 Ų66.62%0.02333%0.329CS..EExtended strand (participates in β ladder)trans-144.5161.7177.959.690000111.7P331 V334 L346 Y360 L362 L380 T382 T383 F385 V400P331-W348 HydrophobicContact CB-CG 4.37Å; V334-W348 HydrophobicContact CG2-CB 4.02Å; L346-W348 HydrophobicContact CB-CZ3 4.49Å; L346-W348 HydrophobicContact CD2-CE3 4.19Å; L346-W348 HydrophobicContact CD2-CZ3 4.16Å; L346-W348 HydrophobicContact CG-CE3 4.25Å; L346-W348 HydrophobicContact CG-CZ3 4.38Å; W348-Y360 AromaticContact CE2-CG 3.83Å; W348-Y360 AromaticContact CZ2-CD2 3.75Å; W348-Y360 HydrophobicContact CZ2-CD2 3.75Å; W348-Y360 AromaticContact CZ2-CG 3.72Å; W348-Y360 HydrophobicContact CZ2-CG 3.72Å; W348-Y360 AromaticContact NE1-CD1 3.44Å; W348-Y360 AromaticContact NE1-CD2 3.63Å; W348-Y360 AromaticContact NE1-CE1 3.65Å; W348-Y360 AromaticContact NE1-CE2 3.83Å; W348-Y360 AromaticContact NE1-CG 3.44Å; W348-Y360 AromaticContact NE1-CZ 3.84Å; W348-L362 HydrophobicContact CH2-CD1 3.66Å; W348-L362 HydrophobicContact CH2-CD2 3.9Å; W348-L362 HydrophobicContact CH2-CG 4.06Å; W348-L362 HydrophobicContact CZ2-CD1 4.14Å; W348-L362 HydrophobicContact CZ3-CD1 4.2Å; W348-L362 HydrophobicContact CZ3-CD2 3.73Å; W348-L362 HydrophobicContact CZ3-CG 4.07Å; W348-L380 HydrophobicContact CH2-CD1 4.37Å; W348-T382 WeakPolarHBondContact CZ2-O 3.24Å; W348-T383 PolarHBondContact N-O 2.79Å; W348-T383 WeakPolarHBondContact O-CB 3.48Å; W348-F385 HydrophobicContact CH2-CB 4.42Å; W348-F385 HydrophobicContact CZ3-CB 4.45Å; W348-V400 HydrophobicContact CD2-CB 4.47Å; W348-V400 HydrophobicContact CD2-CG1 4.02Å; W348-V400 HydrophobicContact CD2-CG2 3.97Å; W348-V400 HydrophobicContact CE3-CG2 3.9Å; W348-V400 HydrophobicContact CG-CG1 4.32Å; W348-V400 HydrophobicContact CG-CG2 4.26Å; W348-V400 HydrophobicContact CZ2-CG1 4.27Å
349Q84.6Confident72.3Confident90 Ų9060.4 Ų60.442%0.42131%0.306SS..EExtended strand (participates in β ladder)trans-92.5140.4176.1-71.2-177.3-15.800111.2H332 S333H332-Q349 PolarHBondContact CE1-OE1 3.14Å; H332-Q349 PolarHBondContact N-O 3.36Å; H332-Q349 PolarHBondContact ND1-OE1 2.89Å; H332-Q349 VanDerWaalsContact ND1-OE1 3.13Å; H332-Q349 PolarHBondContact O-N 2.7Å; S333-Q349 PolarHBondContact OG-OE1 2.74Å
350E81.3Confident74.1Confident83 Ų8356.9 Ų56.939%0.38829%0.286SS..PPolyproline II helixtrans-73.1144.6177.9-54.6-15712900111.3Y360 T383E350-Y360 VanDerWaalsContact CD-OH 3.24Å; E350-Y360 VanDerWaalsContact CG-OH 3.28Å; E350-Y360 WeakPolarHBondContact CG-OH 3.33Å; E350-Y360 PolarHBondContact OE1-OH 2.9Å; E350-T383 HydrophobicContact CG-CG2 3.27Å; E350-T383 WeakPolarHBondContact OE1-CG2 3.23Å
351P76.6Confident75.5Confident6 Ų656.9 Ų56.94%0.03928%0.281CS..PPolyproline II helixtrans-61.9146.7172-17.429.7000112.2P329 D353 I357P329-P351 HydrophobicContact CB-CB 3.98Å; P329-P351 HydrophobicContact CG-CB 3.66Å; P329-P351 VanDerWaalsContact O-CG 3.22Å; P329-P351 WeakPolarHBondContact O-CG 3.21Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 3.08Å; P351-I357 HydrophobicContact CB-CD1 4.24Å; P351-I357 HydrophobicContact CG-CD1 3.69Å
352K59.6Low77Confident151 Ų15154.8 Ų54.866%0.65727%0.27SS*.SBendtrans-58.9-35.6-179.4-61.7-174.6-176-159.10113.3K354K352-K354 PolarHBondContact O-N 3.46Å
353D64.8Low78.1Confident125 Ų12553.1 Ų53.167%0.66826%0.257SS*.  trans-92.980.6176.5-63.3-33.9000110.7P329 P351P329-D353 HydrophobicContact CG-CB 4.08Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 3.08Å
354K59.2Low79.1Confident131 Ų13155 Ų5557%0.5726%0.264SS*.  trans-89.9-8.7-171.446.1-179.9169.7178.90115.2K352 N356 I357K352-K354 PolarHBondContact O-N 3.46Å; K354-N356 PolarHBondContact O-N 2.84Å; K354-I357 PolarHBondContact O-N 2.7Å
355D55.6Low79.8Confident145 Ų14555.1 Ų55.178%0.77527%0.265SS*.THydrogen-bonded Turntrans-65.76.2-166.5-68.3-19.9000116
356N62.2Low80.2Confident83 Ų8356.3 Ų56.344%0.44427%0.27SS..THydrogen-bonded Turntrans-147.913.2176.7-79-56.8000115Q325 K354 L358 S404Q325-N356 VanDerWaalsContact NE2-CG 3.3Å; Q325-N356 PolarHBondContact NE2-ND2 2.78Å; Q325-N356 PolarHBondContact NE2-OD1 2.81Å; K354-N356 PolarHBondContact O-N 2.84Å; N356-L358 PolarHBondContact O-N 2.85Å; N356-S404 WeakPolarHBondContact O-CA 3.23Å; N356-S404 WeakPolarHBondContact O-CB 3.3Å
357I76.9Confident80.1Confident34 Ų3457.8 Ų57.817%0.17428%0.282CS..  trans-81.4120.2-179.2-61.4175.3000110P328 P351 K354 Y360P328-I357 HydrophobicContact CB-CG1 3.97Å; P351-I357 HydrophobicContact CB-CD1 4.24Å; P351-I357 HydrophobicContact CG-CD1 3.69Å; K354-I357 PolarHBondContact O-N 2.7Å; I357-Y360 HydrophobicContact CG2-CE1 4.07Å
358L76.4Confident79.8Confident88 Ų8858.2 Ų58.246%0.46131%0.308SS..  trans-85.6-19.1176.4-62.9178.6000113N356 V403 R405N356-L358 PolarHBondContact O-N 2.85Å; L358-V403 HydrophobicContact CB-CG1 4.46Å; L358-V403 PolarHBondContact N-O 3.5Å; L358-R405 HydrophobicContact CD1-CG 3.79Å; L358-R405 HydrophobicContact CG-CG 4.46Å
359G82.5Confident79.3Confident1 Ų162.8 Ų62.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans156.2-163176.800000113.4L380 V403G359-L380 CarbonylContact C-O 3.6Å; G359-L380 WeakPolarHBondContact CA-O 3.1Å; G359-V403 VanDerWaalsContact O-CG1 3.26Å; G359-V403 WeakPolarHBondContact O-CG1 3.38Å; G359-V403 PolarHBondContact O-N 2.78Å
360Y90.6Very high79Confident4 Ų467.5 Ų67.52%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-132.2144.8-171.5-54.3-80.3000113.5P331 W348 E350 I357 N376 L380 T383 V400 K401P331-Y360 HydrophobicContact CG-CD1 3.74Å; P331-Y360 HydrophobicContact CG-CE1 3.83Å; W348-Y360 AromaticContact CE2-CG 3.83Å; W348-Y360 AromaticContact CZ2-CD2 3.75Å; W348-Y360 HydrophobicContact CZ2-CD2 3.75Å; W348-Y360 AromaticContact CZ2-CG 3.72Å; W348-Y360 HydrophobicContact CZ2-CG 3.72Å; W348-Y360 AromaticContact NE1-CD1 3.44Å; W348-Y360 AromaticContact NE1-CD2 3.63Å; W348-Y360 AromaticContact NE1-CE1 3.65Å; W348-Y360 AromaticContact NE1-CE2 3.83Å; W348-Y360 AromaticContact NE1-CG 3.44Å; W348-Y360 AromaticContact NE1-CZ 3.84Å; E350-Y360 VanDerWaalsContact CD-OH 3.24Å; E350-Y360 VanDerWaalsContact CG-OH 3.28Å; E350-Y360 WeakPolarHBondContact CG-OH 3.33Å; E350-Y360 PolarHBondContact OE1-OH 2.9Å; I357-Y360 HydrophobicContact CG2-CE1 4.07Å; Y360-N376 PolarHBondContact O-ND2 2.94Å; Y360-L380 WeakPolarHBondContact CD2-O 3.22Å; Y360-L380 PolarHBondContact N-O 3.05Å; Y360-L380 PolarHBondContact O-N 2.84Å; Y360-T383 HydrophobicContact CE2-CG2 4.28Å; Y360-V400 HydrophobicContact CD1-CG1 4.29Å; Y360-V400 HydrophobicContact CG-CG1 4.45Å; Y360-K401 WeakPolarHBondContact CA-O 3.22Å
361Y91.3Very high79.4Confident49 Ų4970.4 Ų70.419%0.19236%0.363CS..EExtended strand (participates in β ladder)trans-115.3130.4171.5-76.2-68.8000110.9N376 P379 V400 K401 V403Y361-N376 WeakPolarHBondContact CD1-O 3.41Å; Y361-P379 HydrophobicContact CE2-CG 3.94Å; Y361-P379 WeakPolarHBondContact OH-CD 3.49Å; Y361-V400 WeakPolarHBondContact O-CA 3.28Å; Y361-K401 PolarHBondContact N-O 3.26Å; Y361-K401 PolarHBondContact O-N 2.87Å; Y361-V403 HydrophobicContact CD2-CB 4.34Å; Y361-V403 HydrophobicContact CD2-CG1 4.24Å; Y361-V403 HydrophobicContact CE2-CB 4.31Å; Y361-V403 HydrophobicContact CE2-CG1 4.1Å
362L92.9Very high80.2Confident0 Ų072.9 Ų72.90%037%0.372CS..EExtended strand (participates in β ladder)trans-110.2144.2-172.6-70.765.4000110.3L346 W348 V375 N376 L380 F385 V400L346-L362 HydrophobicContact CD2-CB 4.46Å; L346-L362 HydrophobicContact CD2-CD2 3.62Å; L346-L362 HydrophobicContact CD2-CG 3.93Å; W348-L362 HydrophobicContact CH2-CD1 3.66Å; W348-L362 HydrophobicContact CH2-CD2 3.9Å; W348-L362 HydrophobicContact CH2-CG 4.06Å; W348-L362 HydrophobicContact CZ2-CD1 4.14Å; W348-L362 HydrophobicContact CZ3-CD1 4.2Å; W348-L362 HydrophobicContact CZ3-CD2 3.73Å; W348-L362 HydrophobicContact CZ3-CG 4.07Å; L362-V375 HydrophobicContact CB-CB 3.84Å; L362-V375 HydrophobicContact CB-CG1 4.45Å; L362-V375 HydrophobicContact CB-CG2 4Å; L362-V375 PolarHBondContact O-N 2.82Å; L362-N376 WeakPolarHBondContact CB-OD1 3.41Å; L362-N376 PolarHBondContact N-OD1 2.85Å; L362-L380 HydrophobicContact CD1-CD1 3.61Å; L362-L380 HydrophobicContact CD1-CG 4.38Å; L362-L380 HydrophobicContact CD2-CD1 4.15Å; L362-F385 HydrophobicContact CD2-CB 3.84Å; L362-F385 HydrophobicContact CD2-CD1 4.06Å; L362-F385 HydrophobicContact CD2-CG 4.22Å; L362-V400 HydrophobicContact CD1-CG1 4.32Å; L362-V400 HydrophobicContact CG-CG1 4.48Å; L362-V400 HydrophobicContact CG-CG2 4.29Å
363Y92.8Very high81.6Confident26 Ų2671 Ų7110%0.10236%0.364CS..EExtended strand (participates in β ladder)trans-136.7149.6179.8-60.6-95.6000110.5K373 T374 F398 R399 K401 Y411Y363-K373 CarbonylContact C-O 3.56Å; Y363-K373 VanDerWaalsContact CA-O 3.22Å; Y363-K373 WeakPolarHBondContact CA-O 3.47Å; Y363-T374 HydrophobicContact CE1-CG2 4.06Å; Y363-T374 WeakPolarHBondContact CE1-OG1 3.25Å; Y363-F398 WeakPolarHBondContact O-CA 3.44Å; Y363-R399 PolarHBondContact N-O 2.76Å; Y363-R399 PolarHBondContact O-N 2.74Å; Y363-K401 HydrophobicContact CE2-CD 4Å; Y363-K401 HydrophobicContact CE2-CG 4.21Å; Y363-K401 VanDerWaalsContact OH-CE 3.25Å; Y363-K401 WeakPolarHBondContact OH-CE 3.33Å; Y363-K401 PolarHBondContact OH-NZ 3.45Å; Y363-Y411 HydrophobicContact CD2-CD1 4.25Å; Y363-Y411 AromaticContact CD2-CE1 3.69Å; Y363-Y411 HydrophobicContact CD2-CE1 3.69Å; Y363-Y411 HydrophobicContact CE2-CD1 4.47Å; Y363-Y411 AromaticContact CE2-CE1 3.67Å; Y363-Y411 HydrophobicContact CE2-CE1 3.67Å; Y363-Y411 HydrophobicContact CG-CE1 4.22Å
364Y93.8Very high82.8Confident42 Ų4268.3 Ų68.317%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-134.6154.5173.176.4-84000111.9K373 V375 L390 Y396 V397 F398Y364-K373 HydrophobicContact CD1-CB 3.96Å; Y364-K373 HydrophobicContact CE1-CB 3.53Å; Y364-K373 HydrophobicContact CE1-CD 4.32Å; Y364-K373 HydrophobicContact CE2-CB 4.3Å; Y364-K373 HydrophobicContact CE2-CD 4Å; Y364-K373 PolarHBondContact N-O 2.84Å; Y364-K373 PolarHBondContact O-N 2.75Å; Y364-K373 VanDerWaalsContact OH-CD 3.31Å; Y364-K373 WeakPolarHBondContact OH-CD 3.39Å; Y364-V375 HydrophobicContact CD1-CG2 3.67Å; Y364-V375 HydrophobicContact CE1-CG2 4.39Å; Y364-L390 HydrophobicContact CD2-CD2 3.91Å; Y364-L390 HydrophobicContact CE2-CD2 3.8Å; Y364-L390 HydrophobicContact CG-CD2 4.5Å; Y364-Y396 AromaticContact CD2-CD1 3.79Å; Y364-Y396 HydrophobicContact CD2-CD1 3.79Å; Y364-Y396 HydrophobicContact CD2-CE1 4.03Å; Y364-Y396 HydrophobicContact CE2-CD1 4.25Å; Y364-Y396 HydrophobicContact CE2-CE1 4.01Å; Y364-V397 CarbonylContact C-O 3.5Å; Y364-V397 VanDerWaalsContact CA-O 3.29Å; Y364-V397 WeakPolarHBondContact CA-O 3.35Å; Y364-F398 VanDerWaalsContact CB-CD1 3.43Å; Y364-F398 VanDerWaalsContact CB-CE1 3.44Å; Y364-F398 HydrophobicContact CG-CE1 4.31Å
365S92Very high84.2Confident3 Ų363.9 Ų63.92%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-140.5156.4170.4-163.30000110.7K369 E371 Y396 V397S365-K369 PolarHBondContact OG-O 2.84Å; S365-E371 VanDerWaalsContact CB-O 3.32Å; S365-E371 WeakPolarHBondContact CB-O 3.47Å; S365-E371 PolarHBondContact OG-O 3.42Å; S365-Y396 CarbonylContact O-C 3.5Å; S365-Y396 VanDerWaalsContact O-CA 3.26Å; S365-Y396 WeakPolarHBondContact O-CA 3.35Å; S365-Y396 WeakPolarHBondContact O-CD1 3.5Å; S365-V397 PolarHBondContact N-O 2.83Å; S365-V397 PolarHBondContact O-N 2.87Å
366E88.9Confident85.7Confident35 Ų3557.6 Ų57.616%0.16430%0.302CS..EExtended strand (participates in β ladder)trans-68.9133167.2-67-179.4-170.100107.8G368 K369 K394 E395 Y396E366-G368 PolarHBondContact O-N 2.8Å; E366-K369 HydrophobicContact CB-CD 4Å; E366-K369 HydrophobicContact CB-CG 4.22Å; E366-K369 WeakPolarHBondContact O-CB 3.13Å; E366-K369 PolarHBondContact O-N 3.4Å; E366-K369 WeakPolarHBondContact OE2-CE 3.42Å; E366-K369 IonicContact OE2-NZ 3.82Å; E366-K369 PolarHBondContact OE2-NZ 3.15Å; E366-K394 HydrophobicContact CG-CD 4.32Å; E366-K394 IonicContact OE1-NZ 3.04Å; E366-K394 PolarHBondContact OE1-NZ 2.79Å; E366-K394 IonicContact OE2-NZ 3.26Å; E366-K394 PolarHBondContact OE2-NZ 2.76Å; E366-E395 CarbonylContact C-O 3.56Å; E366-E395 WeakPolarHBondContact CA-O 3.26Å; E366-Y396 HydrophobicContact CB-CE1 4.47Å; E366-Y396 HydrophobicContact CG-CD1 4.1Å; E366-Y396 HydrophobicContact CG-CE1 3.53Å
367A84.4Confident86.5Confident32 Ų3260.4 Ų60.426%0.26432%0.317SS..THydrogen-bonded Turntrans-54.7130.4-174.300000111.1K369 E395 V397 P417A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 2.84Å; A367-E395 HydrophobicContact CB-CB 3.58Å; A367-E395 PolarHBondContact N-O 3.02Å; A367-V397 HydrophobicContact CB-CG1 4.2Å; A367-P417 HydrophobicContact CB-CB 4.13Å
368G77.8Confident86.7Confident88 Ų8867.1 Ų67.191%0.90735%0.345SS*.THydrogen-bonded Turntrans82.7-3.5-17600000115.7E366E366-G368 PolarHBondContact O-N 2.8Å
369K80.8Confident87Confident103 Ų10365.5 Ų65.545%0.44834%0.34SS..  trans-97.1151170-60.1-167.2-177.6169.50110.9S365 E366 A367S365-K369 PolarHBondContact OG-O 2.84Å; E366-K369 HydrophobicContact CB-CD 4Å; E366-K369 HydrophobicContact CB-CG 4.22Å; E366-K369 WeakPolarHBondContact O-CB 3.13Å; E366-K369 PolarHBondContact O-N 3.4Å; E366-K369 WeakPolarHBondContact OE2-CE 3.42Å; E366-K369 IonicContact OE2-NZ 3.82Å; E366-K369 PolarHBondContact OE2-NZ 3.15Å; A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 2.84Å
370Q78.4Confident86.8Confident188 Ų18866.9 Ų66.988%0.87935%0.347SS*.  trans-98.813.5175.7-66.4-132.5-2400113.5
371E90.6Very high86.3Confident145 Ų14572.4 Ų72.468%0.67838%0.381SS*.  trans-94.4107.9179-68.9-176.2169.100110.8S365S365-E371 VanDerWaalsContact CB-O 3.32Å; S365-E371 WeakPolarHBondContact CB-O 3.47Å; S365-E371 PolarHBondContact OG-O 3.42Å
372W91.8Very high85.6Confident58 Ų5873.5 Ų73.522%0.2239%0.393CS..  trans-97133.3-177.9-68.687.3000112.1V397 R399 E414W372-V397 HydrophobicContact CH2-CG2 3.85Å; W372-V397 HydrophobicContact CZ2-CG2 4.42Å; W372-V397 HydrophobicContact CZ3-CG2 4.43Å; W372-R399 VanDerWaalsContact CD2-CZ 3.44Å; W372-R399 VanDerWaalsContact CD2-NE 3.31Å; W372-R399 HydrophobicContact CE3-CG 3.88Å; W372-R399 HydrophobicContact CH2-CB 4.26Å; W372-R399 HydrophobicContact CH2-CG 3.86Å; W372-R399 HydrophobicContact CZ3-CB 4.17Å; W372-R399 HydrophobicContact CZ3-CG 3.51Å; W372-E414 HydrophobicContact CH2-CG 3.97Å; W372-E414 HydrophobicContact CZ2-CG 4.19Å; W372-E414 WeakPolarHBondContact CZ2-OE1 3.2Å
373K89Confident85.3Confident112 Ų11275.6 Ų75.649%0.48741%0.406SS..EExtended strand (participates in β ladder)trans-110.7137.2175.9-66.9-179.9-178.9179.50110.4Y363 Y364Y363-K373 CarbonylContact C-O 3.56Å; Y363-K373 VanDerWaalsContact CA-O 3.22Å; Y363-K373 WeakPolarHBondContact CA-O 3.47Å; Y364-K373 HydrophobicContact CD1-CB 3.96Å; Y364-K373 HydrophobicContact CE1-CB 3.53Å; Y364-K373 HydrophobicContact CE1-CD 4.32Å; Y364-K373 HydrophobicContact CE2-CB 4.3Å; Y364-K373 HydrophobicContact CE2-CD 4Å; Y364-K373 PolarHBondContact N-O 2.84Å; Y364-K373 PolarHBondContact O-N 2.75Å; Y364-K373 VanDerWaalsContact OH-CD 3.31Å; Y364-K373 WeakPolarHBondContact OH-CD 3.39Å
374T90.8Very high84.9Confident68 Ų6881.6 Ų81.642%0.41743%0.428SS..EExtended strand (participates in β ladder)trans-76.3135.3175.7-46.60000110.3Y363 N376Y363-T374 HydrophobicContact CE1-CG2 4.06Å; Y363-T374 WeakPolarHBondContact CE1-OG1 3.25Å; T374-N376 WeakPolarHBondContact CG2-O 3.27Å
375V88.1Confident84.4Confident38 Ų3883 Ų8323%0.2344%0.435CS..SBendtrans-87.3-45177.1176.90000111.3L362 Y364 F385 V387L362-V375 HydrophobicContact CB-CB 3.84Å; L362-V375 HydrophobicContact CB-CG1 4.45Å; L362-V375 HydrophobicContact CB-CG2 4Å; L362-V375 PolarHBondContact O-N 2.82Å; Y364-V375 HydrophobicContact CD1-CG2 3.67Å; Y364-V375 HydrophobicContact CE1-CG2 4.39Å; V375-F385 HydrophobicContact CG1-CD1 4.08Å; V375-F385 HydrophobicContact CG1-CE1 3.77Å; V375-V387 HydrophobicContact CG1-CG1 4.16Å; V375-V387 HydrophobicContact CG1-CG2 4.02Å; V375-V387 HydrophobicContact CG2-CG1 4.03Å; V375-V387 HydrophobicContact CG2-CG2 4.15Å
376N87.3Confident83.8Confident13 Ų1385.8 Ų85.87%0.0745%0.449CS..  trans-126.4140-175.162.5-57.5000112.1Y360 Y361 L362 T374 K378 L380Y360-N376 PolarHBondContact O-ND2 2.94Å; Y361-N376 WeakPolarHBondContact CD1-O 3.41Å; L362-N376 WeakPolarHBondContact CB-OD1 3.41Å; L362-N376 PolarHBondContact N-OD1 2.85Å; T374-N376 WeakPolarHBondContact CG2-O 3.27Å; N376-K378 PolarHBondContact ND2-O 3.31Å; N376-L380 HydrophobicContact CB-CG 4.47Å
377N80.3Confident83.4Confident141 Ų14184.3 Ų84.375%0.75444%0.443SS*.SBendtrans-96.5-11.4179.9-67.2-19000113.6
378K79.3Confident83.3Confident175 Ų17589 Ų8976%0.76146%0.459SS*.SBendtrans-119.7144.8173-66.7-176179.7-179.30109.8N376 L380N376-K378 PolarHBondContact ND2-O 3.31Å; K378-L380 PolarHBondContact O-N 2.99Å
379P83.3Confident83.2Confident54 Ų5487.8 Ų87.835%0.35145%0.447SS..  trans-59.8132.1179.8-19.231.3000111.4Y361 V403Y361-P379 HydrophobicContact CE2-CG 3.94Å; Y361-P379 WeakPolarHBondContact OH-CD 3.49Å; P379-V403 HydrophobicContact CB-CG1 3.73Å; P379-V403 HydrophobicContact CG-CG1 3.87Å
380L78.5Confident83.3Confident30 Ų3083.1 Ų83.116%0.15743%0.427CS..BIsolated β-bridgetrans-83.6139.8172.9-60.6179.3000110.2W348 G359 Y360 L362 N376 K378 F385W348-L380 HydrophobicContact CH2-CD1 4.37Å; G359-L380 CarbonylContact C-O 3.6Å; G359-L380 WeakPolarHBondContact CA-O 3.1Å; Y360-L380 WeakPolarHBondContact CD2-O 3.22Å; Y360-L380 PolarHBondContact N-O 3.05Å; Y360-L380 PolarHBondContact O-N 2.84Å; L362-L380 HydrophobicContact CD1-CD1 3.61Å; L362-L380 HydrophobicContact CD1-CG 4.38Å; L362-L380 HydrophobicContact CD2-CD1 4.15Å; N376-L380 HydrophobicContact CB-CG 4.47Å; K378-L380 PolarHBondContact O-N 2.99Å; L380-F385 HydrophobicContact CD1-CB 3.79Å; L380-F385 HydrophobicContact CD1-CD1 4.26Å; L380-F385 HydrophobicContact CD1-CD2 3.41Å; L380-F385 VanDerWaalsContact CD1-CD2 3.41Å; L380-F385 HydrophobicContact CD1-CE2 4.02Å; L380-F385 HydrophobicContact CD1-CG 3.54Å; L380-F385 HydrophobicContact CD2-CD2 4.07Å; L380-F385 HydrophobicContact CD2-CE2 4Å; L380-F385 HydrophobicContact CG-CD2 4.41Å
381T79.8Confident83.2Confident120 Ų12080.3 Ų80.374%0.73641%0.412SS*.SBendtrans-93.3-3.1176.254.40000113.2
382T77.7Confident82.4Confident73 Ų7376 Ų7645%0.44840%0.395SS..SBendtrans-107.1158.5178.960.10000111W348 R384W348-T382 WeakPolarHBondContact CZ2-O 3.24Å; T382-R384 PolarHBondContact OG1-O 3.12Å; T382-R384 VanDerWaalsContact OG1-O 3.07Å
383T85.6Confident81.2Confident43 Ų4381.2 Ų81.226%0.26442%0.415SS..SBendtrans-96.310.4177.949.80000114.3Q347 W348 E350 Y360Q347-T383 VanDerWaalsContact CA-O 3.3Å; Q347-T383 WeakPolarHBondContact CA-O 3.43Å; W348-T383 PolarHBondContact N-O 2.79Å; W348-T383 WeakPolarHBondContact O-CB 3.48Å; E350-T383 HydrophobicContact CG-CG2 3.27Å; E350-T383 WeakPolarHBondContact OE1-CG2 3.23Å; Y360-T383 HydrophobicContact CE2-CG2 4.28Å
384R84.8Confident80.6Confident153 Ų15379 Ų7958%0.57741%0.405SS*.EExtended strand (participates in β ladder)trans-140.4137.2179.4-173.5177.1179.1-172.71.2110.1V345 L346 Q347 T382V345-R384 HydrophobicContact CG1-CG 4.12Å; L346-R384 CarbonylContact O-C 3.49Å; L346-R384 VanDerWaalsContact O-CA 3.28Å; L346-R384 WeakPolarHBondContact O-CA 3.5Å; Q347-R384 HydrophobicContact CB-CG 4.45Å; T382-R384 PolarHBondContact OG1-O 3.12Å; T382-R384 VanDerWaalsContact OG1-O 3.07Å
385F82.6Confident80.4Confident70 Ų7080.5 Ų80.531%0.30741%0.408SS..EExtended strand (participates in β ladder)trans-155149.8-179.6-166.9-100000112.2L346 W348 L362 V375 L380L346-F385 PolarHBondContact N-O 2.78Å; L346-F385 PolarHBondContact O-N 3.08Å; W348-F385 HydrophobicContact CH2-CB 4.42Å; W348-F385 HydrophobicContact CZ3-CB 4.45Å; L362-F385 HydrophobicContact CD2-CB 3.84Å; L362-F385 HydrophobicContact CD2-CD1 4.06Å; L362-F385 HydrophobicContact CD2-CG 4.22Å; V375-F385 HydrophobicContact CG1-CD1 4.08Å; V375-F385 HydrophobicContact CG1-CE1 3.77Å; L380-F385 HydrophobicContact CD1-CB 3.79Å; L380-F385 HydrophobicContact CD1-CD1 4.26Å; L380-F385 HydrophobicContact CD1-CD2 3.41Å; L380-F385 VanDerWaalsContact CD1-CD2 3.41Å; L380-F385 HydrophobicContact CD1-CE2 4.02Å; L380-F385 HydrophobicContact CD1-CG 3.54Å; L380-F385 HydrophobicContact CD2-CD2 4.07Å; L380-F385 HydrophobicContact CD2-CE2 4Å; L380-F385 HydrophobicContact CG-CD2 4.41Å
386I79.7Confident80.4Confident62 Ų6279 Ų7932%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-102.2120.3177.2-51.8179.8000109.9V345 H388V345-I386 HydrophobicContact CG2-CD1 4.3Å; V345-I386 HydrophobicContact CG2-CG1 3.93Å; I386-H388 VanDerWaalsContact CG2-CE1 3.41Å; I386-H388 WeakPolarHBondContact CG2-CE1 3.5Å; I386-H388 WeakPolarHBondContact CG2-NE2 3.31Å; I386-H388 PolarHBondContact O-CD2 2.82Å
387V82Confident80.6Confident5 Ų578.8 Ų78.83%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-90116.6175.1-170.70000108.9S343 V344 L346 V375 L390 F398S343-V387 CarbonylContact C-O 3.51Å; S343-V387 WeakPolarHBondContact CA-O 2.96Å; S343-V387 WeakPolarHBondContact CB-O 3.36Å; V344-V387 PolarHBondContact N-O 2.99Å; V344-V387 PolarHBondContact O-N 2.96Å; L346-V387 HydrophobicContact CB-CG2 4.5Å; V375-V387 HydrophobicContact CG1-CG1 4.16Å; V375-V387 HydrophobicContact CG1-CG2 4.02Å; V375-V387 HydrophobicContact CG2-CG1 4.03Å; V375-V387 HydrophobicContact CG2-CG2 4.15Å; V387-L390 HydrophobicContact CG1-CD2 4.28Å; V387-L390 HydrophobicContact CG1-CG 4.5Å; V387-F398 HydrophobicContact CB-CE1 4.14Å; V387-F398 HydrophobicContact CG1-CE1 4.15Å; V387-F398 HydrophobicContact CG2-CD1 4.31Å; V387-F398 HydrophobicContact CG2-CE1 3.93Å
388H81.1Confident81.2Confident129 Ų12972 Ų7260%0.59736%0.361SS*.EExtended strand (participates in β ladder)trans-103.2165.3-179.5-61.9-79.8000112.6T342 I386T342-H388 CarbonylContact O-C 3.51Å; I386-H388 VanDerWaalsContact CG2-CE1 3.41Å; I386-H388 WeakPolarHBondContact CG2-CE1 3.5Å; I386-H388 WeakPolarHBondContact CG2-NE2 3.31Å; I386-H388 PolarHBondContact O-CD2 2.82Å
389G75.1Confident81.9Confident64 Ų6465.6 Ų65.666%0.6633%0.332SS*.  trans80.223.4171.200000114.7T342T342-G389 PolarHBondContact O-N 3.11Å
390L83Confident82.4Confident5 Ų563 Ų633%0.02632%0.315CS..PPolyproline II helixtrans-79.5150.5176.6-59.1175.8000110.9T342 V344 Y364 V387 Y396 F398 V420T342-L390 PolarHBondContact O-N 2.78Å; V344-L390 HydrophobicContact CB-CD1 3.93Å; V344-L390 HydrophobicContact CG2-CD1 3.57Å; Y364-L390 HydrophobicContact CD2-CD2 3.91Å; Y364-L390 HydrophobicContact CE2-CD2 3.8Å; Y364-L390 HydrophobicContact CG-CD2 4.5Å; V387-L390 HydrophobicContact CG1-CD2 4.28Å; V387-L390 HydrophobicContact CG1-CG 4.5Å; L390-Y396 HydrophobicContact CB-CD2 4.32Å; L390-Y396 HydrophobicContact CB-CE2 3.86Å; L390-Y396 HydrophobicContact CD1-CD2 4.38Å; L390-Y396 HydrophobicContact CD2-CD1 4.17Å; L390-Y396 HydrophobicContact CD2-CD2 4.43Å; L390-Y396 HydrophobicContact CD2-CE1 4.06Å; L390-Y396 HydrophobicContact CD2-CE2 4.32Å; L390-Y396 HydrophobicContact CD2-CG 4.34Å; L390-F398 HydrophobicContact CD1-CZ 3.93Å; L390-V420 HydrophobicContact CB-CG2 4.24Å; L390-V420 HydrophobicContact CD1-CG2 4.18Å
391K76.9Confident83Confident129 Ų12962.7 Ų62.756%0.56131%0.313SS*.PPolyproline II helixtrans-84.1135.7-179-62-178176.4-176.60110.4K394 Y396K391-K394 HydrophobicContact CB-CD 4.08Å; K391-K394 HydrophobicContact CB-CG 4.3Å; K391-K394 HydrophobicContact CD-CD 4.44Å; K391-Y396 WeakPolarHBondContact CB-OH 3.28Å; K391-Y396 PolarHBondContact N-OH 2.79Å
392T73.5Confident83.3Confident53 Ų5357 Ų5733%0.32528%0.278SS..THydrogen-bonded Turntrans-63.7153.1173.649.20000112D341 K394 V420D341-T392 HydrophobicContact CB-CG2 3.98Å; D341-T392 WeakPolarHBondContact O-CG2 3.38Å; T392-K394 PolarHBondContact O-N 2.86Å; T392-V420 CarbonylContact C-O 3.55Å
393W67.9Low83.6Confident168 Ų16854.4 Ų54.464%0.63626%0.261SS*.THydrogen-bonded Turntrans57.428.2-175.1-59.1102.2000114.9V420 K421W393-V420 WeakPolarHBondContact CA-O 3.38Å; W393-V420 PolarHBondContact N-O 3.01Å; W393-K421 HydrophobicContact CE3-CG 4.38Å; W393-K421 HydrophobicContact CZ3-CD 4.33Å; W393-K421 HydrophobicContact CZ3-CG 4.18Å
394K75.8Confident83.1Confident66 Ų6652.6 Ų52.629%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-124.2144175.7-66-157.1176.6-162.30111.9E366 K391 T392 Y396 V420E366-K394 HydrophobicContact CG-CD 4.32Å; E366-K394 IonicContact OE1-NZ 3.04Å; E366-K394 PolarHBondContact OE1-NZ 2.79Å; E366-K394 IonicContact OE2-NZ 3.26Å; E366-K394 PolarHBondContact OE2-NZ 2.76Å; K391-K394 HydrophobicContact CB-CD 4.08Å; K391-K394 HydrophobicContact CB-CG 4.3Å; K391-K394 HydrophobicContact CD-CD 4.44Å; T392-K394 PolarHBondContact O-N 2.86Å; K394-Y396 HydrophobicContact CB-CD2 4.39Å; K394-Y396 HydrophobicContact CB-CE2 3.68Å; K394-V420 PolarHBondContact N-O 2.93Å; K394-V420 PolarHBondContact O-N 3.18Å
395E85.4Confident82.1Confident99 Ų9951.4 Ų51.446%0.46325%0.246SC..EExtended strand (participates in β ladder)trans-88.6138.2171.7-66.2-174.2157.400110.4E366 A367 I418 L419E366-E395 CarbonylContact C-O 3.56Å; E366-E395 WeakPolarHBondContact CA-O 3.26Å; A367-E395 HydrophobicContact CB-CB 3.58Å; A367-E395 PolarHBondContact N-O 3.02Å; E395-I418 CarbonylContact C-O 3.55Å; E395-I418 VanDerWaalsContact CA-O 3.25Å; E395-I418 WeakPolarHBondContact CA-O 3.48Å; E395-L419 HydrophobicContact CG-CB 3.89Å; E395-L419 HydrophobicContact CG-CD1 3.76Å; E395-L419 HydrophobicContact CG-CG 4.36Å
396Y88.6Confident81.2Confident6 Ų650 Ų502%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-127.4146.9178.8-69.1-83.5000111.1Y364 S365 E366 L390 K391 K394 P417 I418 V420Y364-Y396 AromaticContact CD2-CD1 3.79Å; Y364-Y396 HydrophobicContact CD2-CD1 3.79Å; Y364-Y396 HydrophobicContact CD2-CE1 4.03Å; Y364-Y396 HydrophobicContact CE2-CD1 4.25Å; Y364-Y396 HydrophobicContact CE2-CE1 4.01Å; S365-Y396 CarbonylContact O-C 3.5Å; S365-Y396 VanDerWaalsContact O-CA 3.26Å; S365-Y396 WeakPolarHBondContact O-CA 3.35Å; S365-Y396 WeakPolarHBondContact O-CD1 3.5Å; E366-Y396 HydrophobicContact CB-CE1 4.47Å; E366-Y396 HydrophobicContact CG-CD1 4.1Å; E366-Y396 HydrophobicContact CG-CE1 3.53Å; L390-Y396 HydrophobicContact CB-CD2 4.32Å; L390-Y396 HydrophobicContact CB-CE2 3.86Å; L390-Y396 HydrophobicContact CD1-CD2 4.38Å; L390-Y396 HydrophobicContact CD2-CD1 4.17Å; L390-Y396 HydrophobicContact CD2-CD2 4.43Å; L390-Y396 HydrophobicContact CD2-CE1 4.06Å; L390-Y396 HydrophobicContact CD2-CE2 4.32Å; L390-Y396 HydrophobicContact CD2-CG 4.34Å; K391-Y396 WeakPolarHBondContact CB-OH 3.28Å; K391-Y396 PolarHBondContact N-OH 2.79Å; K394-Y396 HydrophobicContact CB-CD2 4.39Å; K394-Y396 HydrophobicContact CB-CE2 3.68Å; Y396-P417 WeakPolarHBondContact O-CA 3.39Å; Y396-I418 PolarHBondContact N-O 2.86Å; Y396-I418 PolarHBondContact O-N 3.18Å; Y396-V420 HydrophobicContact CD2-CB 4.48Å; Y396-V420 HydrophobicContact CD2-CG2 3.7Å; Y396-V420 HydrophobicContact CE2-CB 4.49Å; Y396-V420 HydrophobicContact CE2-CG2 4.07Å
397V91.8Very high80.8Confident9 Ų948.3 Ų48.36%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-120.3148.2171.2-68.90000109.5Y364 S365 A367 W372 P417Y364-V397 CarbonylContact C-O 3.5Å; Y364-V397 VanDerWaalsContact CA-O 3.29Å; Y364-V397 WeakPolarHBondContact CA-O 3.35Å; S365-V397 PolarHBondContact N-O 2.83Å; S365-V397 PolarHBondContact O-N 2.87Å; A367-V397 HydrophobicContact CB-CG1 4.2Å; W372-V397 HydrophobicContact CH2-CG2 3.85Å; W372-V397 HydrophobicContact CZ2-CG2 4.42Å; W372-V397 HydrophobicContact CZ3-CG2 4.43Å; V397-P417 HydrophobicContact CG1-CB 4.06Å; V397-P417 HydrophobicContact CG1-CG 3.88Å
398F93.9Very high80.7Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-128.8150.9-174.1-59.6-94.2000111.4V334 A336 V344 L346 Y363 Y364 V387 L390 E414 S415 I418V334-F398 HydrophobicContact CG1-CB 4.46Å; A336-F398 HydrophobicContact CB-CD2 3.7Å; A336-F398 HydrophobicContact CB-CE2 4.05Å; V344-F398 HydrophobicContact CB-CE2 4.36Å; V344-F398 HydrophobicContact CB-CZ 3.96Å; V344-F398 HydrophobicContact CG1-CE2 3.82Å; V344-F398 HydrophobicContact CG1-CZ 3.86Å; V344-F398 HydrophobicContact CG2-CE2 4.44Å; V344-F398 HydrophobicContact CG2-CZ 4.19Å; L346-F398 HydrophobicContact CD1-CB 3.4Å; L346-F398 VanDerWaalsContact CD1-CB 3.4Å; L346-F398 HydrophobicContact CD1-CD1 4.12Å; L346-F398 HydrophobicContact CD1-CD2 4.11Å; L346-F398 HydrophobicContact CD1-CG 3.62Å; L346-F398 HydrophobicContact CD2-CB 4.16Å; L346-F398 HydrophobicContact CG-CB 4.45Å; Y363-F398 WeakPolarHBondContact O-CA 3.44Å; Y364-F398 VanDerWaalsContact CB-CD1 3.43Å; Y364-F398 VanDerWaalsContact CB-CE1 3.44Å; Y364-F398 HydrophobicContact CG-CE1 4.31Å; V387-F398 HydrophobicContact CB-CE1 4.14Å; V387-F398 HydrophobicContact CG1-CE1 4.15Å; V387-F398 HydrophobicContact CG2-CD1 4.31Å; V387-F398 HydrophobicContact CG2-CE1 3.93Å; L390-F398 HydrophobicContact CD1-CZ 3.93Å; F398-E414 CarbonylContact O-C 3.49Å; F398-E414 WeakPolarHBondContact O-CA 3.35Å; F398-S415 PolarHBondContact N-OG 2.9Å; F398-S415 PolarHBondContact O-N 3.07Å; F398-I418 HydrophobicContact CE2-CG2 3.68Å
399R93.5Very high81Confident40 Ų4045.8 Ų45.815%0.15124%0.237CC..EExtended strand (participates in β ladder)trans-148.2155.6172.869.2-173.1-177.6178.20.6111.5Y363 W372 Y411Y363-R399 PolarHBondContact N-O 2.76Å; Y363-R399 PolarHBondContact O-N 2.74Å; W372-R399 VanDerWaalsContact CD2-CZ 3.44Å; W372-R399 VanDerWaalsContact CD2-NE 3.31Å; W372-R399 HydrophobicContact CE3-CG 3.88Å; W372-R399 HydrophobicContact CH2-CB 4.26Å; W372-R399 HydrophobicContact CH2-CG 3.86Å; W372-R399 HydrophobicContact CZ3-CB 4.17Å; W372-R399 HydrophobicContact CZ3-CG 3.51Å; R399-Y411 HydrophobicContact CG-CD1 3.87Å; R399-Y411 HydrophobicContact CG-CG 4.42Å
400V92.6Very high81.5Confident0 Ų051 Ų510%024%0.241CC..EExtended strand (participates in β ladder)trans-129.8150.4-173.2-168.80000110P331 V334 L346 W348 Y360 Y361 L362 S412P331-V400 HydrophobicContact CG-CB 4.39Å; P331-V400 HydrophobicContact CG-CG1 4.09Å; V334-V400 HydrophobicContact CG1-CG2 4.03Å; V334-V400 HydrophobicContact CG2-CB 4.3Å; V334-V400 HydrophobicContact CG2-CG2 3.85Å; L346-V400 HydrophobicContact CD2-CG2 3.86Å; W348-V400 HydrophobicContact CD2-CB 4.47Å; W348-V400 HydrophobicContact CD2-CG1 4.02Å; W348-V400 HydrophobicContact CD2-CG2 3.97Å; W348-V400 HydrophobicContact CE3-CG2 3.9Å; W348-V400 HydrophobicContact CG-CG1 4.32Å; W348-V400 HydrophobicContact CG-CG2 4.26Å; W348-V400 HydrophobicContact CZ2-CG1 4.27Å; Y360-V400 HydrophobicContact CD1-CG1 4.29Å; Y360-V400 HydrophobicContact CG-CG1 4.45Å; Y361-V400 WeakPolarHBondContact O-CA 3.28Å; L362-V400 HydrophobicContact CD1-CG1 4.32Å; L362-V400 HydrophobicContact CG-CG1 4.48Å; L362-V400 HydrophobicContact CG-CG2 4.29Å; V400-S412 PolarHBondContact N-OG 2.99Å; V400-S412 WeakPolarHBondContact O-CB 3.46Å; V400-S412 PolarHBondContact O-N 2.77Å; V400-S412 PolarHBondContact O-OG 2.87Å
401K91.1Very high81.8Confident23 Ų2355.2 Ų55.210%0.126%0.257CS..EExtended strand (participates in β ladder)trans-133.7145.1166.968.7-172.4-171.2-1780110.3Y360 Y361 Y363 N408 S409 Y411Y360-K401 WeakPolarHBondContact CA-O 3.22Å; Y361-K401 PolarHBondContact N-O 3.26Å; Y361-K401 PolarHBondContact O-N 2.87Å; Y363-K401 HydrophobicContact CE2-CD 4Å; Y363-K401 HydrophobicContact CE2-CG 4.21Å; Y363-K401 VanDerWaalsContact OH-CE 3.25Å; Y363-K401 WeakPolarHBondContact OH-CE 3.33Å; Y363-K401 PolarHBondContact OH-NZ 3.45Å; K401-N408 HydrophobicContact CD-CB 4.01Å; K401-N408 PolarHBondContact NZ-ND2 2.88Å; K401-S409 WeakPolarHBondContact CB-OG 3.42Å; K401-Y411 HydrophobicContact CB-CD1 4.39Å; K401-Y411 HydrophobicContact CD-CD1 4.31Å; K401-Y411 HydrophobicContact CD-CE1 3.96Å
402S87.1Confident82.5Confident0 Ų049.6 Ų49.60%023%0.234CC..EExtended strand (participates in β ladder)trans-83.8151.8173.760.30000109.5P328 P329 N408 S409P328-S402 WeakPolarHBondContact CG-OG 3.25Å; P329-S402 PolarHBondContact O-OG 2.88Å; S402-N408 WeakPolarHBondContact O-CA 3.34Å; S402-S409 PolarHBondContact N-OG 3.02Å; S402-S409 PolarHBondContact O-N 3.34Å; S402-S409 PolarHBondContact O-OG 3.3Å; S402-S409 WeakPolarHBondContact OG-CB 3.42Å; S402-S409 PolarHBondContact OG-OG 2.91Å
403V82.9Confident83.1Confident18 Ų1853.2 Ų53.211%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-122.8133.5174.257.20000109.9L358 G359 Y361 P379 N408L358-V403 HydrophobicContact CB-CG1 4.46Å; L358-V403 PolarHBondContact N-O 3.5Å; G359-V403 VanDerWaalsContact O-CG1 3.26Å; G359-V403 WeakPolarHBondContact O-CG1 3.38Å; G359-V403 PolarHBondContact O-N 2.78Å; Y361-V403 HydrophobicContact CD2-CB 4.34Å; Y361-V403 HydrophobicContact CD2-CG1 4.24Å; Y361-V403 HydrophobicContact CE2-CB 4.31Å; Y361-V403 HydrophobicContact CE2-CG1 4.1Å; P379-V403 HydrophobicContact CB-CG1 3.73Å; P379-V403 HydrophobicContact CG-CG1 3.87Å; V403-N408 WeakPolarHBondContact CB-OD1 3.34Å; V403-N408 VanDerWaalsContact CG2-OD1 3.29Å; V403-N408 WeakPolarHBondContact CG2-OD1 3.41Å
404S77.1Confident84.1Confident5 Ų550.7 Ų50.74%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-122.2-177.416683.90000110P328 N356 A406 G407P328-S404 VanDerWaalsContact CD-OG 3.28Å; P328-S404 WeakPolarHBondContact CD-OG 3.42Å; N356-S404 WeakPolarHBondContact O-CA 3.23Å; N356-S404 WeakPolarHBondContact O-CB 3.3Å; S404-A406 PolarHBondContact O-N 3.22Å; S404-A406 WeakPolarHBondContact OG-CB 2.96Å; S404-A406 PolarHBondContact OG-N 2.85Å; S404-G407 PolarHBondContact N-O 3.13Å; S404-G407 PolarHBondContact O-N 3.03Å
405R63.3Low84.8Confident129 Ų12947.9 Ų47.949%0.48724%0.236SC..THydrogen-bonded Turntrans-64.2-23.2171.4-64.7-177.7178.5170.9-2.3114C234 L358 G407C234-R405 PolarHBondContact O-NH1 3.32Å; C234-R405 PolarHBondContact O-NH2 2.85Å; L358-R405 HydrophobicContact CD1-CG 3.79Å; L358-R405 HydrophobicContact CG-CG 4.46Å; R405-G407 VanDerWaalsContact C-N 3.33Å
406A64Low84.5Confident39 Ų3948.1 Ų48.132%0.32224%0.237SC..THydrogen-bonded Turntrans-79.1-16.6175.800000113.1Q325 V327 S404Q325-A406 HydrophobicContact CB-CB 4.21Å; Q325-A406 WeakPolarHBondContact O-CB 3.39Å; V327-A406 HydrophobicContact CG2-CB 4.42Å; S404-A406 PolarHBondContact O-N 3.22Å; S404-A406 WeakPolarHBondContact OG-CB 2.96Å; S404-A406 PolarHBondContact OG-N 2.85Å
407G70.1Confident84.3Confident27 Ų2751.3 Ų51.328%0.27826%0.258SS..EExtended strand (participates in β ladder)trans131.7-172.3-17800000113.3S404 R405S404-G407 PolarHBondContact N-O 3.13Å; S404-G407 PolarHBondContact O-N 3.03Å; R405-G407 VanDerWaalsContact C-N 3.33Å
408N80.7Confident83.8Confident72 Ų7251.6 Ų51.639%0.38526%0.259SS..EExtended strand (participates in β ladder)trans-84.1141.3179.1-63.3-37.4000110.9V327 K401 S402 V403V327-N408 WeakPolarHBondContact CG1-O 3Å; K401-N408 HydrophobicContact CD-CB 4.01Å; K401-N408 PolarHBondContact NZ-ND2 2.88Å; S402-N408 WeakPolarHBondContact O-CA 3.34Å; V403-N408 WeakPolarHBondContact CB-OD1 3.34Å; V403-N408 VanDerWaalsContact CG2-OD1 3.29Å; V403-N408 WeakPolarHBondContact CG2-OD1 3.41Å
409S86.6Confident83.2Confident10 Ų1054.1 Ų54.17%0.0727%0.273CS..PPolyproline II helixtrans-62.1172.1167.573.10000112.1P328 K401 S402P328-S409 WeakPolarHBondContact O-CB 3.12Å; K401-S409 WeakPolarHBondContact CB-OG 3.42Å; S402-S409 PolarHBondContact N-OG 3.02Å; S402-S409 PolarHBondContact O-N 3.34Å; S402-S409 PolarHBondContact O-OG 3.3Å; S402-S409 WeakPolarHBondContact OG-CB 3.42Å; S402-S409 PolarHBondContact OG-OG 2.91Å
410K85.6Confident82.3Confident173 Ų17352.2 Ų52.275%0.75227%0.265SS*.PPolyproline II helixtrans-58.4162.4157.9-66.2-177.2179.4178.80110.2P330P330-K410 WeakPolarHBondContact CB-O 3.3Å
411Y90Very high80.6Confident93 Ų9356.9 Ų56.937%0.36529%0.285SS..PPolyproline II helixtrans-67.2148.6170.4-63.5-78.1000110.1Y363 R399 K401Y363-Y411 HydrophobicContact CD2-CD1 4.25Å; Y363-Y411 AromaticContact CD2-CE1 3.69Å; Y363-Y411 HydrophobicContact CD2-CE1 3.69Å; Y363-Y411 HydrophobicContact CE2-CD1 4.47Å; Y363-Y411 AromaticContact CE2-CE1 3.67Å; Y363-Y411 HydrophobicContact CE2-CE1 3.67Å; Y363-Y411 HydrophobicContact CG-CE1 4.22Å; R399-Y411 HydrophobicContact CG-CD1 3.87Å; R399-Y411 HydrophobicContact CG-CG 4.42Å; K401-Y411 HydrophobicContact CB-CD1 4.39Å; K401-Y411 HydrophobicContact CD-CD1 4.31Å; K401-Y411 HydrophobicContact CD-CE1 3.96Å
412S90.8Very high78.5Confident11 Ų1158.6 Ų58.68%0.07730%0.301CS..PPolyproline II helixtrans-60.8168.5163.269.50000110.7P331 V334 V400P331-S412 WeakPolarHBondContact O-CA 3.3Å; P331-S412 WeakPolarHBondContact O-CB 3.28Å; V334-S412 WeakPolarHBondContact CG2-OG 3.07Å; V400-S412 PolarHBondContact N-OG 2.99Å; V400-S412 WeakPolarHBondContact O-CB 3.46Å; V400-S412 PolarHBondContact O-N 2.77Å; V400-S412 PolarHBondContact O-OG 2.87Å
413D86.6Confident76.8Confident130 Ų13061.2 Ų61.270%0.69532%0.322SS*.PPolyproline II helixtrans-57.9152.1160.4-58.4-46.4000110.5
414E89.9Confident75.4Confident114 Ų11463.1 Ų63.153%0.53333%0.331SS..PPolyproline II helixtrans-72.6142.5177.9-61.6-179.8-173.200110W372 F398W372-E414 HydrophobicContact CH2-CG 3.97Å; W372-E414 HydrophobicContact CZ2-CG 4.19Å; W372-E414 WeakPolarHBondContact CZ2-OE1 3.2Å; F398-E414 CarbonylContact O-C 3.49Å; F398-E414 WeakPolarHBondContact O-CA 3.35Å
415S88.9Confident75Confident7 Ų768.1 Ų68.15%0.04936%0.358CS..PPolyproline II helixtrans-62160.3169.674.40000110.6V334 F398V334-S415 WeakPolarHBondContact O-CA 3.4Å; V334-S415 VanDerWaalsContact O-CB 3.25Å; V334-S415 WeakPolarHBondContact O-CB 3.31Å; F398-S415 PolarHBondContact N-OG 2.9Å; F398-S415 PolarHBondContact O-N 3.07Å
416H79.8Confident75.5Confident104 Ų10465.2 Ų65.248%0.48135%0.354SS..PPolyproline II helixtrans-58145.4165.265.6-92.8000110.3A336 I418A336-H416 PolarHBondContact O-CE1 3.37Å; A336-H416 VanDerWaalsContact O-CE1 3.28Å; A336-H416 PolarHBondContact O-NE2 2.95Å; H416-I418 PolarHBondContact O-N 2.84Å
417P84.9Confident76.5Confident73 Ų7363.6 Ų63.647%0.47434%0.34SS..PPolyproline II helixtrans-61.5132176.7-23.233.2000111.6A367 Y396 V397A367-P417 HydrophobicContact CB-CB 4.13Å; Y396-P417 WeakPolarHBondContact O-CA 3.39Å; V397-P417 HydrophobicContact CG1-CB 4.06Å; V397-P417 HydrophobicContact CG1-CG 3.88Å
418I80.7Confident77.2Confident16 Ų1663.7 Ų63.78%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-118123.5-179.9-161.6166.8000112.5A336 R338 V344 E395 Y396 F398 H416 V420A336-I418 HydrophobicContact CB-CD1 4.38Å; A336-I418 HydrophobicContact CB-CG2 4.32Å; A336-I418 WeakPolarHBondContact O-CD1 3.49Å; R338-I418 HydrophobicContact CB-CD1 3.77Å; R338-I418 HydrophobicContact CB-CG1 4.3Å; V344-I418 HydrophobicContact CG1-CD1 4.36Å; V344-I418 HydrophobicContact CG1-CG2 4.29Å; V344-I418 HydrophobicContact CG2-CD1 4.41Å; V344-I418 HydrophobicContact CG2-CG2 3.87Å; E395-I418 CarbonylContact C-O 3.55Å; E395-I418 VanDerWaalsContact CA-O 3.25Å; E395-I418 WeakPolarHBondContact CA-O 3.48Å; Y396-I418 PolarHBondContact N-O 2.86Å; Y396-I418 PolarHBondContact O-N 3.18Å; F398-I418 HydrophobicContact CE2-CG2 3.68Å; H416-I418 PolarHBondContact O-N 2.84Å; I418-V420 PolarHBondContact O-N 2.94Å
419L80.7Confident77.5Confident53 Ų5362.8 Ų62.828%0.27734%0.335SS..EExtended strand (participates in β ladder)trans-84112.3178.3-17858.3000111.4E395 K421E395-L419 HydrophobicContact CG-CB 3.89Å; E395-L419 HydrophobicContact CG-CD1 3.76Å; E395-L419 HydrophobicContact CG-CG 4.36Å; L419-K421 HydrophobicContact CD2-CD 4.3Å; L419-K421 HydrophobicContact CD2-CG 4.07Å; L419-K421 HydrophobicContact CG-CG 3.85Å
420V75.4Confident77.7Confident0 Ų062.5 Ų62.50%033%0.332CS..EExtended strand (participates in β ladder)trans-81.3115.8172.7-179.30000107.9D341 V344 L390 T392 W393 K394 Y396 I418D341-V420 VanDerWaalsContact C-CG1 3.47Å; D341-V420 WeakPolarHBondContact O-CG1 3.39Å; V344-V420 HydrophobicContact CG2-CG2 4.07Å; L390-V420 HydrophobicContact CB-CG2 4.24Å; L390-V420 HydrophobicContact CD1-CG2 4.18Å; T392-V420 CarbonylContact C-O 3.55Å; W393-V420 WeakPolarHBondContact CA-O 3.38Å; W393-V420 PolarHBondContact N-O 3.01Å; K394-V420 PolarHBondContact N-O 2.93Å; K394-V420 PolarHBondContact O-N 3.18Å; Y396-V420 HydrophobicContact CD2-CB 4.48Å; Y396-V420 HydrophobicContact CD2-CG2 3.7Å; Y396-V420 HydrophobicContact CE2-CB 4.49Å; Y396-V420 HydrophobicContact CE2-CG2 4.07Å; I418-V420 PolarHBondContact O-N 2.94Å
421K55.6Low77.8Confident97 Ų9757 Ų5742%0.42232%0.315SS..  trans-114.2148.2-176.7-61.9-176.2-179.4179.40111.3D341 W393 L419D341-K421 VanDerWaalsContact CA-O 3.25Å; D341-K421 WeakPolarHBondContact CA-O 3.2Å; D341-K421 WeakPolarHBondContact CB-O 3.35Å; W393-K421 HydrophobicContact CE3-CG 4.38Å; W393-K421 HydrophobicContact CZ3-CD 4.33Å; W393-K421 HydrophobicContact CZ3-CG 4.18Å; L419-K421 HydrophobicContact CD2-CD 4.3Å; L419-K421 HydrophobicContact CD2-CG 4.07Å; L419-K421 HydrophobicContact CG-CG 3.85Å
422S48.1Very low77.2Confident60 Ų6054 Ų5442%0.4231%0.314SS..  trans-88.1152.9174.8-172.20000111.5
423A50.3Low77Confident55 Ų5554.7 Ų54.746%0.45532%0.316SS..  cis-142.1162.6-8.900000107.3N425A423-N425 PolarHBondContact O-N 3Å
424I55.4Low76.6Confident58 Ų5849.4 Ų49.430%0.29729%0.291SS..PPolyproline II helixtrans-65.5125.2169.4-57.2173.4000108.5A506 A507I424-A506 HydrophobicContact CD1-CB 4.33Å; I424-A507 HydrophobicContact CB-CB 4.11Å; I424-A507 HydrophobicContact CG2-CB 3.73Å; I424-A507 WeakPolarHBondContact O-CB 3.04Å
425N66.9Low76.1Confident110 Ų11044.6 Ų44.659%0.58827%0.269SS*.PPolyproline II helixtrans-94.2157.8173.7-69.9-53.4000110.5A423 G454 N505A423-N425 PolarHBondContact O-N 3Å; N425-G454 PolarHBondContact N-O 3.35Å; N425-G454 WeakPolarHBondContact O-CA 3.32Å; N425-N505 PolarHBondContact O-ND2 2.82Å
426V73.6Confident75.2Confident68 Ų6846 Ų4641%0.41228%0.275SS..PPolyproline II helixtrans-63.2148.8171.8-63.50000110.8A507V426-A507 HydrophobicContact CG1-CB 4.32Å
427P86.3Confident74.8Confident4 Ų443.2 Ų43.23%0.02626%0.264CS..PPolyproline II helixtrans-62.7156.8-178.5-2235.2000112.9P450 V458 A503 N505 G510P427-P450 HydrophobicContact CB-CB 4.49Å; P427-P450 HydrophobicContact CB-CG 4.17Å; P427-V458 HydrophobicContact CG-CG2 4.33Å; P427-A503 HydrophobicContact CB-CB 3.8Å; P427-A503 HydrophobicContact CG-CB 4.16Å; P427-N505 HydrophobicContact CG-CB 3.82Å; P427-G510 WeakPolarHBondContact O-CA 3.36Å
428S83.4Confident74.3Confident30 Ų3041.5 Ų41.521%0.2125%0.253CS..PPolyproline II helixtrans-67.5165.8167.568.70000110.8P450 S451 S452S428-P450 WeakPolarHBondContact O-CB 3.47Å; S428-P450 WeakPolarHBondContact OG-CB 3.46Å; S428-S451 PolarHBondContact OG-N 3.19Å; S428-S451 PolarHBondContact OG-OG 3.49Å; S428-S452 PolarHBondContact N-O 3.22Å; S428-S452 PolarHBondContact OG-N 3.35Å; S428-S452 PolarHBondContact OG-O 3.14Å
429P88.4Confident74Confident53 Ų5342.7 Ų42.734%0.34426%0.261SS..PPolyproline II helixtrans-59.8138.4174.6-26.135.2000113.1K511 P512P429-K511 WeakPolarHBondContact CA-O 3.38Å; P429-K511 HydrophobicContact CG-CB 3.88Å; P429-P512 WeakPolarHBondContact CB-O 3.36Å
430P89.7Confident73.8Confident3 Ų344.4 Ų44.42%0.01927%0.268CS..PPolyproline II helixtrans-60.3162.5161.2-24.637.5000112R448 Y461 V501 A503 S513P430-R448 WeakPolarHBondContact CB-O 3.39Å; P430-Y461 HydrophobicContact CG-CD1 4.08Å; P430-Y461 HydrophobicContact CG-CE1 4.1Å; P430-V501 HydrophobicContact CB-CB 4.23Å; P430-V501 HydrophobicContact CB-CG1 4.11Å; P430-V501 HydrophobicContact CG-CB 4.34Å; P430-V501 HydrophobicContact CG-CG1 3.93Å; P430-A503 HydrophobicContact CG-CB 3.82Å; P430-S513 WeakPolarHBondContact O-CB 3.4Å
431S87.4Confident74Confident57 Ų5746.7 Ų46.740%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-139.8168.8-17865.20000112.3R448S431-R448 PolarHBondContact N-O 3.06Å; S431-R448 WeakPolarHBondContact O-CA 3.45Å; S431-R448 WeakPolarHBondContact O-CB 3.49Å; S431-R448 PolarHBondContact O-N 2.85Å
432G78.6Confident75.3Confident32 Ų3243.7 Ų43.733%0.3327%0.271SS..EExtended strand (participates in β ladder)trans64.351.8171.300000114.9A434 L617G432-A434 PolarHBondContact O-N 3.22Å; G432-L617 WeakPolarHBondContact O-CD1 3.41Å
433I86.6Confident77.1Confident24 Ų2440.9 Ų40.912%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-68.6125174.7-58.3171.6000109.6L445 G446 W447 F499 V501 S513I433-L445 HydrophobicContact CG2-CD1 4.41Å; I433-G446 CarbonylContact C-O 3.55Å; I433-G446 WeakPolarHBondContact CA-O 3.01Å; I433-W447 HydrophobicContact CG1-CB 4.24Å; I433-F499 WeakPolarHBondContact CD1-O 2.96Å; I433-F499 HydrophobicContact CG2-CB 4.48Å; I433-V501 HydrophobicContact CD1-CB 4.4Å; I433-V501 HydrophobicContact CD1-CG2 3.7Å; I433-V501 HydrophobicContact CG1-CG2 3.88Å; I433-S513 VanDerWaalsContact CD1-OG 3.26Å; I433-S513 WeakPolarHBondContact CD1-OG 3.43Å
434A78.6Confident78.7Confident20 Ų2039.5 Ų39.517%0.16524%0.237CC..EExtended strand (participates in β ladder)trans-128.1149.1177.200000112.4G432 L445 G446 L617G432-A434 PolarHBondContact O-N 3.22Å; A434-L445 CarbonylContact O-C 3.53Å; A434-L445 WeakPolarHBondContact O-CA 3.33Å; A434-G446 PolarHBondContact N-O 3.05Å; A434-G446 PolarHBondContact O-N 3.22Å; A434-L617 HydrophobicContact CB-CD1 4.49Å; A434-L617 HydrophobicContact CB-CD2 3.69Å; A434-L617 HydrophobicContact CB-CG 4.01Å
435L79.3Confident80.2Confident13 Ų1336.7 Ų36.77%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-85.6107.5174.2-177.666.6000110.4L437 C438 M443 L445 F519L435-L437 VanDerWaalsContact CD1-O 3.24Å; L435-L437 WeakPolarHBondContact CD1-O 3.46Å; L435-C438 HydrophobicContact CD1-CB 4.43Å; L435-C438 HydrophobicContact CD2-CB 3.93Å; L435-C438 HydrophobicContact CG-CB 4.47Å; L435-M443 HydrophobicContact CD1-CB 3.69Å; L435-M443 HydrophobicContact CD1-CG 3.72Å; L435-M443 HydrophobicContact CD1-SD 3.94Å; L435-L445 HydrophobicContact CB-CD1 4.32Å; L435-L445 HydrophobicContact CD1-CD1 3.83Å; L435-F519 HydrophobicContact CB-CD1 3.78Å; L435-F519 HydrophobicContact CB-CD2 4.12Å; L435-F519 HydrophobicContact CB-CE1 3.74Å; L435-F519 HydrophobicContact CB-CE2 4.1Å; L435-F519 HydrophobicContact CB-CG 3.98Å; L435-F519 HydrophobicContact CB-CZ 3.92Å; L435-F519 HydrophobicContact CD1-CD2 4.48Å; L435-F519 HydrophobicContact CD1-CG 4.49Å; L435-F519 HydrophobicContact CD2-CB 3.92Å; L435-F519 HydrophobicContact CD2-CD1 4.01Å; L435-F519 HydrophobicContact CD2-CG 3.98Å; L435-F519 HydrophobicContact CG-CD1 4.45Å; L435-F519 HydrophobicContact CG-CG 4.37Å
436L70.1Confident80.9Confident36 Ų3631.8 Ų31.819%0.18820%0.198CC..EExtended strand (participates in β ladder)trans-83.6-36.4-178.6-46.6-178.1000112.3V444 Q485 C531L436-V444 WeakPolarHBondContact CA-O 3.46Å; L436-V444 HydrophobicContact CB-CB 4.39Å; L436-V444 HydrophobicContact CB-CG1 4.35Å; L436-V444 WeakPolarHBondContact CB-O 3.35Å; L436-V444 HydrophobicContact CD1-CG1 4.16Å; L436-V444 PolarHBondContact N-O 3.45Å; L436-Q485 HydrophobicContact CD1-CB 4.11Å; L436-C531 WeakPolarHBondContact CD2-SG 3.49Å
437L71.9Confident81.7Confident46 Ų4629 Ų2924%0.24118%0.18CC..EExtended strand (participates in β ladder)trans-147.4143.9178.9-171.784.7000109.7L435 T439 M443 V444 Y554L435-L437 VanDerWaalsContact CD1-O 3.24Å; L435-L437 WeakPolarHBondContact CD1-O 3.46Å; L437-T439 HydrophobicContact CD2-CG2 4.09Å; L437-T439 HydrophobicContact CG-CG2 4.49Å; L437-M443 CarbonylContact O-C 3.51Å; L437-M443 VanDerWaalsContact O-CA 3.25Å; L437-M443 WeakPolarHBondContact O-CA 3.49Å; L437-V444 HydrophobicContact CB-CB 3.83Å; L437-V444 HydrophobicContact CB-CG2 3.83Å; L437-V444 HydrophobicContact CD2-CG2 3.93Å; L437-V444 PolarHBondContact N-O 3.37Å; L437-V444 PolarHBondContact O-N 2.94Å; L437-Y554 HydrophobicContact CD1-CD1 3.59Å; L437-Y554 HydrophobicContact CD1-CE1 3.9Å; L437-Y554 HydrophobicContact CD1-CG 4.02Å
438C73.9Confident81.5Confident37 Ų3731.7 Ų31.725%0.2519%0.19CC..EExtended strand (participates in β ladder)trans-135.2132.2167.8-172.90000110L435 E442 M443 L520L435-C438 HydrophobicContact CD1-CB 4.43Å; L435-C438 HydrophobicContact CD2-CB 3.93Å; L435-C438 HydrophobicContact CG-CB 4.47Å; C438-E442 CarbonylContact C-O 3.6Å; C438-E442 WeakPolarHBondContact CA-O 3.32Å; C438-M443 HydrophobicContact CB-CG 4.3Å; C438-L520 PolarHBondContact SG-O 2.93Å; C438-L520 VanDerWaalsContact SG-O 3.41Å
439T73.3Confident81.4Confident41 Ų4132.6 Ų32.625%0.25220%0.199SC..  trans-118.1-174.4170.874.10000109.4L437 S441 E442 C521 E522L437-T439 HydrophobicContact CD2-CG2 4.09Å; L437-T439 HydrophobicContact CG-CG2 4.49Å; T439-S441 PolarHBondContact O-N 3.24Å; T439-S441 PolarHBondContact OG1-N 3.41Å; T439-E442 PolarHBondContact N-O 3.15Å; T439-E442 WeakPolarHBondContact OG1-CB 3.43Å; T439-E442 PolarHBondContact OG1-N 2.79Å; T439-E442 PolarHBondContact OG1-O 3.35Å; T439-C521 PolarHBondContact O-SG 2.64Å; T439-E522 CarbonylContact C-O 3.48Å
440E76.9Confident81.2Confident88 Ų8830.8 Ų30.841%0.41119%0.188SC..SBendtrans-67.9-17.6177.665.2-177.5-179.800113.8T493 C521 E522E440-T493 HydrophobicContact CB-CG2 4.09Å; E440-T493 WeakPolarHBondContact O-CA 3.45Å; E440-T493 WeakPolarHBondContact O-CB 3.29Å; E440-T493 PolarHBondContact O-N 2.82Å; E440-T493 PolarHBondContact O-OG1 2.85Å; E440-C521 PolarHBondContact O-SG 3.05Å; E440-E522 WeakPolarHBondContact CA-O 3.41Å; E440-E522 PolarHBondContact N-O 2.98Å
441S80Confident80.6Confident49 Ų4936.4 Ų36.434%0.34323%0.227SC..SBendtrans-138.44-178.559.80000114.6T439 S489 D490 L491T439-S441 PolarHBondContact O-N 3.24Å; T439-S441 PolarHBondContact OG1-N 3.41Å; S441-S489 CarbonylContact O-C 3.52Å; S441-D490 PolarHBondContact O-N 2.87Å; S441-D490 VanDerWaalsContact O-N 3.09Å; S441-L491 WeakPolarHBondContact CA-O 3.22Å; S441-L491 WeakPolarHBondContact O-CB 3.23Å; S441-L491 PolarHBondContact O-N 2.92Å
442E83.1Confident80Confident34 Ų3436.7 Ų36.716%0.15923%0.229CC..  trans-146.9151.7-173-45.7-178.2121.500112.7C438 T439 R487 V488 S489C438-E442 CarbonylContact C-O 3.6Å; C438-E442 WeakPolarHBondContact CA-O 3.32Å; T439-E442 PolarHBondContact N-O 3.15Å; T439-E442 WeakPolarHBondContact OG1-CB 3.43Å; T439-E442 PolarHBondContact OG1-N 2.79Å; T439-E442 PolarHBondContact OG1-O 3.35Å; E442-R487 VanDerWaalsContact CD-NE 3.31Å; E442-R487 IonicContact OE1-CZ 3.78Å; E442-R487 VanDerWaalsContact OE1-CZ 3.23Å; E442-R487 IonicContact OE1-NE 3.92Å; E442-R487 PolarHBondContact OE1-NE 3.42Å; E442-R487 IonicContact OE1-NH2 2.99Å; E442-R487 PolarHBondContact OE1-NH2 3.35Å; E442-R487 IonicContact OE2-CZ 3.3Å; E442-R487 IonicContact OE2-NE 2.74Å; E442-R487 PolarHBondContact OE2-NE 3.36Å; E442-R487 VanDerWaalsContact OE2-NE 3.16Å; E442-R487 IonicContact OE2-NH2 2.75Å; E442-R487 PolarHBondContact OE2-NH2 3.42Å; E442-V488 CarbonylContact C-O 3.57Å; E442-V488 WeakPolarHBondContact CA-O 3.43Å; E442-V488 WeakPolarHBondContact CB-O 3.13Å; E442-S489 PolarHBondContact OE1-OG 2.94Å
443M85.6Confident79.8Confident0 Ų038.8 Ų38.80%023%0.233CC..EExtended strand (participates in β ladder)trans-133.7143.7171.9-71.9178.2179.400109.9L435 L437 C438 L445 R487 V488 L491 Y497 F499 F519 L520 C521L435-M443 HydrophobicContact CD1-CB 3.69Å; L435-M443 HydrophobicContact CD1-CG 3.72Å; L435-M443 HydrophobicContact CD1-SD 3.94Å; L437-M443 CarbonylContact O-C 3.51Å; L437-M443 VanDerWaalsContact O-CA 3.25Å; L437-M443 WeakPolarHBondContact O-CA 3.49Å; C438-M443 HydrophobicContact CB-CG 4.3Å; M443-L445 HydrophobicContact CB-CD2 3.74Å; M443-R487 CarbonylContact O-C 3.46Å; M443-R487 WeakPolarHBondContact O-CA 3.36Å; M443-V488 PolarHBondContact N-O 3.1Å; M443-V488 PolarHBondContact O-N 2.79Å; M443-L491 HydrophobicContact CB-CD1 3.71Å; M443-L491 HydrophobicContact CE-CD1 4.44Å; M443-L491 HydrophobicContact CG-CD1 3.47Å; M443-L491 VanDerWaalsContact CG-CD1 3.47Å; M443-L491 HydrophobicContact SD-CD1 3.79Å; M443-Y497 HydrophobicContact CE-CD2 4.41Å; M443-F499 HydrophobicContact SD-CE2 3.87Å; M443-F499 HydrophobicContact SD-CZ 3.99Å; M443-F519 HydrophobicContact CE-CB 3.95Å; M443-F519 HydrophobicContact SD-CB 3.97Å; M443-L520 WeakPolarHBondContact CE-O 3.44Å; M443-C521 VanDerWaalsContact CE-CA 3.47Å; M443-C521 HydrophobicContact CE-CB 3.79Å; M443-C521 VanDerWaalsContact CE-N 3.35Å
444V83.6Confident78.7Confident26 Ų2638.3 Ų38.316%0.15823%0.234CC..EExtended strand (participates in β ladder)trans-111.7123.7169.6-1740000108L436 L437 R487L436-V444 WeakPolarHBondContact CA-O 3.46Å; L436-V444 HydrophobicContact CB-CB 4.39Å; L436-V444 HydrophobicContact CB-CG1 4.35Å; L436-V444 WeakPolarHBondContact CB-O 3.35Å; L436-V444 HydrophobicContact CD1-CG1 4.16Å; L436-V444 PolarHBondContact N-O 3.45Å; L437-V444 HydrophobicContact CB-CB 3.83Å; L437-V444 HydrophobicContact CB-CG2 3.83Å; L437-V444 HydrophobicContact CD2-CG2 3.93Å; L437-V444 PolarHBondContact N-O 3.37Å; L437-V444 PolarHBondContact O-N 2.94Å; V444-R487 HydrophobicContact CG2-CB 4.07Å; V444-R487 HydrophobicContact CG2-CG 4.07Å
445L87.3Confident77.5Confident0 Ų040.4 Ų40.40%026%0.257CS..EExtended strand (participates in β ladder)trans-111.9142.1-176.5-65.4-58.9000109.2I433 A434 L435 M443 W447 Q485 L486 V488 F499 F519I433-L445 HydrophobicContact CG2-CD1 4.41Å; A434-L445 CarbonylContact O-C 3.53Å; A434-L445 WeakPolarHBondContact O-CA 3.33Å; L435-L445 HydrophobicContact CB-CD1 4.32Å; L435-L445 HydrophobicContact CD1-CD1 3.83Å; M443-L445 HydrophobicContact CB-CD2 3.74Å; L445-W447 HydrophobicContact CB-CZ3 4.39Å; L445-Q485 CarbonylContact O-C 3.59Å; L445-Q485 WeakPolarHBondContact O-CA 3.38Å; L445-Q485 VanDerWaalsContact O-CB 3.31Å; L445-Q485 WeakPolarHBondContact O-CB 3.25Å; L445-L486 PolarHBondContact N-O 2.95Å; L445-L486 PolarHBondContact O-N 3.39Å; L445-V488 HydrophobicContact CD2-CG2 3.64Å; L445-F499 HydrophobicContact CD1-CD2 3.89Å; L445-F499 HydrophobicContact CD1-CE2 4.1Å; L445-F499 HydrophobicContact CD1-CG 4.42Å; L445-F499 HydrophobicContact CD2-CD1 4.47Å; L445-F499 HydrophobicContact CD2-CD2 4.41Å; L445-F499 HydrophobicContact CD2-CE1 4.24Å; L445-F499 HydrophobicContact CD2-CE2 4.18Å; L445-F499 HydrophobicContact CD2-CZ 4.08Å; L445-F499 HydrophobicContact CG-CD1 4.44Å; L445-F499 HydrophobicContact CG-CD2 4.04Å; L445-F499 HydrophobicContact CG-CE2 4.28Å; L445-F499 HydrophobicContact CG-CG 4.12Å; L445-F519 HydrophobicContact CD1-CD2 3.85Å; L445-F519 HydrophobicContact CD1-CE2 3.66Å
446G81Confident76.4Confident6 Ų640.2 Ų40.26%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-125.4156.1172.500000111.5I433 A434 K484I433-G446 CarbonylContact C-O 3.55Å; I433-G446 WeakPolarHBondContact CA-O 3.01Å; A434-G446 PolarHBondContact N-O 3.05Å; A434-G446 PolarHBondContact O-N 3.22Å; G446-K484 WeakPolarHBondContact CA-O 3.29Å
447W90.3Very high76.4Confident11 Ų1143.2 Ų43.24%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-150.2167.7-178.653.984000113.1I433 L445 Y461 L463 K484 L486 V501I433-W447 HydrophobicContact CG1-CB 4.24Å; L445-W447 HydrophobicContact CB-CZ3 4.39Å; W447-Y461 AromaticContact CE2-CG 3.96Å; W447-Y461 HydrophobicContact CZ2-CD2 4.28Å; W447-Y461 AromaticContact CZ2-CG 3.89Å; W447-Y461 HydrophobicContact CZ2-CG 3.89Å; W447-Y461 AromaticContact NE1-CD1 3.31Å; W447-Y461 VanDerWaalsContact NE1-CD1 3.31Å; W447-Y461 AromaticContact NE1-CD2 3.85Å; W447-Y461 AromaticContact NE1-CE1 3.62Å; W447-Y461 AromaticContact NE1-CG 3.44Å; W447-L463 HydrophobicContact CZ3-CD1 4.14Å; W447-K484 PolarHBondContact N-O 3.48Å; W447-L486 HydrophobicContact CH2-CB 3.64Å; W447-L486 HydrophobicContact CZ3-CB 4.03Å; W447-V501 HydrophobicContact CB-CG2 4.37Å; W447-V501 HydrophobicContact CD2-CB 4.31Å; W447-V501 HydrophobicContact CD2-CG1 3.81Å; W447-V501 HydrophobicContact CD2-CG2 3.61Å; W447-V501 HydrophobicContact CE3-CG1 4.4Å; W447-V501 HydrophobicContact CE3-CG2 3.52Å; W447-V501 HydrophobicContact CG-CB 4.44Å; W447-V501 HydrophobicContact CG-CG1 4.07Å; W447-V501 HydrophobicContact CG-CG2 3.99Å; W447-V501 HydrophobicContact CZ2-CG1 4.02Å; W447-V501 HydrophobicContact CZ3-CG2 4.01Å
448R83Confident76.6Confident59 Ų5943.2 Ų43.222%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-87.2148.6172.5-59.7-172.5-173.7150.47.4111.4P430 S431 L617 P618 E620P430-R448 WeakPolarHBondContact CB-O 3.39Å; S431-R448 PolarHBondContact N-O 3.06Å; S431-R448 WeakPolarHBondContact O-CA 3.45Å; S431-R448 WeakPolarHBondContact O-CB 3.49Å; S431-R448 PolarHBondContact O-N 2.85Å; R448-L617 HydrophobicContact CG-CD1 4.16Å; R448-P618 PolarHBondContact NH2-O 3.47Å; R448-E620 IonicContact CZ-OE1 3.99Å; R448-E620 IonicContact NE-OE1 3.53Å; R448-E620 IonicContact NH1-OE1 2.65Å; R448-E620 PolarHBondContact NH1-OE1 3.46Å
449A80.4Confident76.9Confident49 Ų4949.7 Ų49.741%0.40530%0.303SS..PPolyproline II helixtrans-64.2154.6174.600000111.2K484A449-K484 HydrophobicContact CB-CD 4.39Å
450P84.1Confident77.4Confident16 Ų1647.8 Ų47.810%0.10429%0.292CS..PPolyproline II helixtrans-65.2142.9177.629.6-37.8000111.8P427 S428 S452 V458 A503P427-P450 HydrophobicContact CB-CB 4.49Å; P427-P450 HydrophobicContact CB-CG 4.17Å; S428-P450 WeakPolarHBondContact O-CB 3.47Å; S428-P450 WeakPolarHBondContact OG-CB 3.46Å; P450-S452 PolarHBondContact O-N 2.83Å; P450-V458 HydrophobicContact CG-CG2 4.08Å; P450-A503 HydrophobicContact CB-CB 4.44Å; P450-A503 HydrophobicContact CG-CB 3.84Å
451S77.9Confident78.2Confident121 Ų12144.4 Ų44.485%0.84628%0.275SS*.SBendtrans-63.3-23.3179.856.40000113.9S428S428-S451 PolarHBondContact OG-N 3.19Å; S428-S451 PolarHBondContact OG-OG 3.49Å
452S73.8Confident78.8Confident63 Ų6345 Ų4544%0.44127%0.271SS..  trans-134.8130168.6-175.60000110.7S428 P450 G454S428-S452 PolarHBondContact N-O 3.22Å; S428-S452 PolarHBondContact OG-N 3.35Å; S428-S452 PolarHBondContact OG-O 3.14Å; P450-S452 PolarHBondContact O-N 2.83Å; S452-G454 PolarHBondContact O-N 3.32Å; S452-G454 PolarHBondContact OG-N 3.01Å
453N75.1Confident79.4Confident76 Ų7643.4 Ų43.441%0.40626%0.263SS..  trans-81.85.3174.367.66.4000113.4G455 G456 V458 N505N453-G455 PolarHBondContact O-N 3.4Å; N453-G455 PolarHBondContact OD1-N 3.11Å; N453-G456 WeakPolarHBondContact CB-O 3.33Å; N453-G456 PolarHBondContact O-N 3.32Å; N453-V458 HydrophobicContact CB-CG2 3.95Å; N453-N505 PolarHBondContact O-ND2 2.74Å
454G63.5Low79.8Confident14 Ų1444 Ų4414%0.14427%0.266CS..THydrogen-bonded Turntrans68.714.3179.300000114.6N425 S452N425-G454 PolarHBondContact N-O 3.35Å; N425-G454 WeakPolarHBondContact O-CA 3.32Å; S452-G454 PolarHBondContact O-N 3.32Å; S452-G454 PolarHBondContact OG-N 3.01Å
455G53.2Low80.2Confident63 Ų6343.7 Ų43.765%0.64926%0.263SS*.THydrogen-bonded Turntrans87.77.2-179.900000114.7N453N453-G455 PolarHBondContact O-N 3.4Å; N453-G455 PolarHBondContact OD1-N 3.11Å
456G56.5Low80.4Confident10 Ų1045.7 Ų45.710%0.10327%0.272CS..SBendtrans-139.5147.3173.900000111.9N453 V458N453-G456 WeakPolarHBondContact CB-O 3.33Å; N453-G456 PolarHBondContact O-N 3.32Å; G456-V458 PolarHBondContact O-N 2.93Å
457S69.1Low80.7Confident99 Ų9947.2 Ų47.269%0.69228%0.277SS*.  trans-58.7131.7-177.1-55.20000112.2R459 N505S457-R459 PolarHBondContact O-N 3.37Å; S457-N505 WeakPolarHBondContact O-CB 3.4Å
458V77Confident80.2Confident45 Ų4552.7 Ų52.727%0.27330%0.301SS..  trans-65.6118.3175.1-179.30000108.4P427 P450 N453 G456 Y461 A503 A504P427-V458 HydrophobicContact CG-CG2 4.33Å; P450-V458 HydrophobicContact CG-CG2 4.08Å; N453-V458 HydrophobicContact CB-CG2 3.95Å; G456-V458 PolarHBondContact O-N 2.93Å; V458-Y461 HydrophobicContact CG1-CE1 4.23Å; V458-Y461 HydrophobicContact CG1-CE2 4.23Å; V458-A503 HydrophobicContact CG1-CB 4.15Å; V458-A504 CarbonylContact C-O 3.54Å; V458-A504 WeakPolarHBondContact CA-O 3.28Å
459R79.9Confident79.9Confident174 Ų17453.7 Ų53.766%0.65733%0.33SS*.  trans-86.4-19-177.4-67.7-175.9174.4-175-2112.9S457 A504S457-R459 PolarHBondContact O-N 3.37Å; R459-A504 PolarHBondContact N-O 2.75Å
460G83.8Confident79.8Confident1 Ų155.1 Ų55.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans160.1-170.3171.800000113A481 A504G460-A481 CarbonylContact C-O 3.51Å; G460-A481 WeakPolarHBondContact CA-O 3.29Å; G460-A504 PolarHBondContact O-N 2.98Å
461Y93.8Very high79.2Confident16 Ų1663.4 Ų63.46%0.06337%0.366CS..EExtended strand (participates in β ladder)trans-129.2143.7-167.9-59.7-89000113P430 W447 V458 N477 P480 A481 K484 V501 F502 A503P430-Y461 HydrophobicContact CG-CD1 4.08Å; P430-Y461 HydrophobicContact CG-CE1 4.1Å; W447-Y461 AromaticContact CE2-CG 3.96Å; W447-Y461 HydrophobicContact CZ2-CD2 4.28Å; W447-Y461 AromaticContact CZ2-CG 3.89Å; W447-Y461 HydrophobicContact CZ2-CG 3.89Å; W447-Y461 AromaticContact NE1-CD1 3.31Å; W447-Y461 VanDerWaalsContact NE1-CD1 3.31Å; W447-Y461 AromaticContact NE1-CD2 3.85Å; W447-Y461 AromaticContact NE1-CE1 3.62Å; W447-Y461 AromaticContact NE1-CG 3.44Å; V458-Y461 HydrophobicContact CG1-CE1 4.23Å; V458-Y461 HydrophobicContact CG1-CE2 4.23Å; Y461-N477 PolarHBondContact O-ND2 3.12Å; Y461-P480 CarbonylContact O-C 3.59Å; Y461-P480 VanDerWaalsContact O-CA 3.31Å; Y461-P480 WeakPolarHBondContact O-CA 3.43Å; Y461-A481 PolarHBondContact N-O 2.87Å; Y461-A481 PolarHBondContact O-N 3.49Å; Y461-K484 HydrophobicContact CE2-CG 4.18Å; Y461-V501 HydrophobicContact CD1-CG1 3.99Å; Y461-V501 HydrophobicContact CG-CG1 4.45Å; Y461-F502 CarbonylContact C-O 3.5Å; Y461-F502 WeakPolarHBondContact CA-O 3.4Å; Y461-A503 HydrophobicContact CD1-CB 4.02Å; Y461-A503 HydrophobicContact CE1-CB 3.88Å
462Y92.8Very high79Confident63 Ų6363.8 Ų63.825%0.24735%0.353CS..EExtended strand (participates in β ladder)trans-110.7143.7172.1-64-87.5000109.7N477 I478 P480 V501 F502 A504 V509Y462-N477 WeakPolarHBondContact CD1-O 3.5Å; Y462-I478 WeakPolarHBondContact CE1-O 3.14Å; Y462-P480 HydrophobicContact CD2-CB 4.33Å; Y462-P480 HydrophobicContact CE1-CB 4.21Å; Y462-P480 HydrophobicContact CE2-CB 3.79Å; Y462-P480 HydrophobicContact CE2-CG 4.41Å; Y462-P480 WeakPolarHBondContact OH-CD 3.38Å; Y462-V501 CarbonylContact O-C 3.48Å; Y462-V501 VanDerWaalsContact O-CA 3.27Å; Y462-V501 WeakPolarHBondContact O-CA 3.1Å; Y462-F502 PolarHBondContact N-O 2.86Å; Y462-F502 PolarHBondContact O-N 3.19Å; Y462-A504 HydrophobicContact CD2-CB 4.25Å; Y462-A504 HydrophobicContact CE2-CB 3.82Å; Y462-V509 HydrophobicContact CD2-CG1 4.07Å; Y462-V509 HydrophobicContact CD2-CG2 4.02Å; Y462-V509 HydrophobicContact CE2-CG2 3.68Å
463L95.3Very high79.7Confident0 Ų063.8 Ų63.80%034%0.343CS..EExtended strand (participates in β ladder)trans-123.7131.1-179.8-172.576.5000108.8W447 V476 N477 L486 V488 F499 R500 V501W447-L463 HydrophobicContact CZ3-CD1 4.14Å; L463-V476 HydrophobicContact CB-CB 4.17Å; L463-V476 HydrophobicContact CB-CG2 4.38Å; L463-V476 HydrophobicContact CD2-CB 4.22Å; L463-V476 HydrophobicContact CD2-CG1 4.27Å; L463-V476 HydrophobicContact CD2-CG2 4Å; L463-V476 HydrophobicContact CG-CB 4.37Å; L463-V476 HydrophobicContact CG-CG2 4.09Å; L463-V476 VanDerWaalsContact O-CB 3.27Å; L463-V476 WeakPolarHBondContact O-CB 3.49Å; L463-V476 PolarHBondContact O-N 2.83Å; L463-N477 WeakPolarHBondContact CB-OD1 3.48Å; L463-N477 PolarHBondContact N-OD1 3.5Å; L463-L486 HydrophobicContact CB-CD2 3.69Å; L463-L486 HydrophobicContact CD2-CB 4.39Å; L463-L486 HydrophobicContact CD2-CD2 3.85Å; L463-L486 HydrophobicContact CD2-CG 4.44Å; L463-L486 HydrophobicContact CG-CD2 4.41Å; L463-V488 HydrophobicContact CD2-CG2 3.61Å; L463-F499 HydrophobicContact CD1-CB 4.13Å; L463-F499 HydrophobicContact CD2-CD1 4.06Å; L463-F499 HydrophobicContact CG-CD1 4.33Å; L463-R500 WeakPolarHBondContact CA-O 3.44Å; L463-V501 HydrophobicContact CD1-CB 4.47Å; L463-V501 HydrophobicContact CD1-CG2 3.4Å
464D93.9Very high80.2Confident12 Ų1267.2 Ų67.26%0.06435%0.35CS..EExtended strand (participates in β ladder)trans-106.4148165.5-73.4-12.5000109.9W473 R474 E475 F499 R500 F502D464-W473 HydrophobicContact CB-CB 4.16Å; D464-W473 HydrophobicContact CB-CD2 4.44Å; D464-W473 HydrophobicContact CB-CE3 3.83Å; D464-R474 CarbonylContact C-O 3.53Å; D464-R474 WeakPolarHBondContact CA-O 3.5Å; D464-E475 WeakPolarHBondContact OD1-CA 3.31Å; D464-E475 WeakPolarHBondContact OD1-CG 3.12Å; D464-F499 VanDerWaalsContact O-CA 3.25Å; D464-F499 WeakPolarHBondContact O-CA 3.22Å; D464-R500 HydrophobicContact CB-CG 3.76Å; D464-R500 PolarHBondContact N-O 3.02Å; D464-R500 PolarHBondContact O-N 2.69Å; D464-R500 IonicContact OD2-CZ 3.23Å; D464-R500 VanDerWaalsContact OD2-CZ 3.23Å; D464-R500 IonicContact OD2-NE 2.88Å; D464-R500 PolarHBondContact OD2-NE 3.46Å; D464-R500 IonicContact OD2-NH2 2.73Å; D464-R500 PolarHBondContact OD2-NH2 3.44Å; D464-F502 HydrophobicContact CB-CE2 4.35Å; D464-F502 WeakPolarHBondContact OD2-CE2 3.4Å; D464-F502 WeakPolarHBondContact OD2-CZ 3.44Å
465Q93.1Very high81.3Confident20 Ų2073 Ų739%0.09337%0.374CS..EExtended strand (participates in β ladder)trans-116.8153.4170.769.9175.657.100111.4R474 V476 Q498 F499Q465-R474 HydrophobicContact CG-CB 4.13Å; Q465-R474 PolarHBondContact N-O 3.24Å; Q465-R474 PolarHBondContact O-N 3.01Å; Q465-V476 HydrophobicContact CB-CG2 3.65Å; Q465-V476 HydrophobicContact CG-CG2 3.78Å; Q465-Q498 CarbonylContact C-O 3.59Å; Q465-Q498 WeakPolarHBondContact CA-O 3.44Å; Q465-F499 HydrophobicContact CB-CD1 3.77Å; Q465-F499 HydrophobicContact CB-CE1 3.57Å
466K90.7Very high82.9Confident41 Ų4172 Ų7218%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-146.9124.8172.2-175.1-17671.6165.80109.8M470 W473 Y497 Q498K466-M470 WeakPolarHBondContact CD-O 3.49Å; K466-M470 HydrophobicContact CG-CB 4.29Å; K466-W473 HydrophobicContact CB-CD2 3.81Å; K466-W473 HydrophobicContact CB-CE3 3.5Å; K466-W473 HydrophobicContact CB-CG 4.43Å; K466-W473 HydrophobicContact CB-CH2 4.24Å; K466-W473 HydrophobicContact CB-CZ2 4.5Å; K466-W473 HydrophobicContact CB-CZ3 3.73Å; K466-W473 HydrophobicContact CD-CD2 4.14Å; K466-W473 HydrophobicContact CD-CG 4.46Å; K466-W473 HydrophobicContact CD-CZ2 4.24Å; K466-Y497 CarbonylContact O-C 3.59Å; K466-Y497 WeakPolarHBondContact O-CA 3.23Å; K466-Q498 PolarHBondContact N-O 2.96Å; K466-Q498 VanDerWaalsContact NZ-OE1 3.12Å; K466-Q498 PolarHBondContact O-N 2.87Å
467E88.3Confident84.5Confident38 Ų3872.6 Ų72.618%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-70.8135.8172.7-165.3-178.5146.900109.6G469 M470 K492 H495 F496 Y497E467-G469 PolarHBondContact O-N 2.75Å; E467-G469 VanDerWaalsContact O-N 3.15Å; E467-M470 HydrophobicContact CB-CG 3.89Å; E467-M470 WeakPolarHBondContact O-CB 3.48Å; E467-M470 PolarHBondContact O-N 2.97Å; E467-K492 IonicContact OE2-NZ 3.23Å; E467-H495 HydrophobicContact CG-CB 4.49Å; E467-H495 IonicContact OE1-CE1 3.4Å; E467-H495 PolarHBondContact OE1-CE1 3.3Å; E467-H495 IonicContact OE1-CG 3.76Å; E467-H495 IonicContact OE1-ND1 2.66Å; E467-H495 PolarHBondContact OE1-ND1 2.79Å; E467-F496 CarbonylContact C-O 3.5Å; E467-F496 WeakPolarHBondContact CA-O 3.49Å; E467-Y497 HydrophobicContact CB-CD1 4.09Å; E467-Y497 HydrophobicContact CB-CE1 3.83Å; E467-Y497 HydrophobicContact CG-CD1 4.35Å; E467-Y497 HydrophobicContact CG-CE1 3.88Å
468K79.9Confident84.6Confident127 Ų12774.9 Ų74.955%0.55236%0.359SS*.THydrogen-bonded Turntrans-60.6117.6-176.5-170.4178.7-177.8176.50109.9F496 A518K468-F496 HydrophobicContact CB-CB 3.56Å; K468-F496 WeakPolarHBondContact CB-O 3.49Å; K468-F496 HydrophobicContact CD-CB 3.67Å; K468-F496 HydrophobicContact CD-CD2 4.35Å; K468-F496 HydrophobicContact CD-CG 3.97Å; K468-F496 HydrophobicContact CG-CB 4.27Å; K468-F496 PolarHBondContact N-O 2.84Å; K468-A518 HydrophobicContact CD-CB 3.99Å
469G74.9Confident84.9Confident79 Ų7979.4 Ų79.481%0.81438%0.375SS*.THydrogen-bonded Turntrans106.3-10.6-175.100000114.4E467E467-G469 PolarHBondContact O-N 2.75Å; E467-G469 VanDerWaalsContact O-N 3.15Å
470M78.3Confident85.1Confident79 Ų7973.4 Ų73.439%0.38936%0.358SS..  trans-84.7146.7170.4-62.7-67.5-152.100111.4K466 E467K466-M470 WeakPolarHBondContact CD-O 3.49Å; K466-M470 HydrophobicContact CG-CB 4.29Å; E467-M470 HydrophobicContact CB-CG 3.89Å; E467-M470 WeakPolarHBondContact O-CB 3.48Å; E467-M470 PolarHBondContact O-N 2.97Å
471E73.1Confident85Confident191 Ų19174.1 Ų74.189%0.89336%0.364SS*.SBendtrans-85.4-25.5179.5-68.8-169.7159.400113.7
472F72.6Confident84.3Confident129 Ų12982.2 Ų82.257%0.56640%0.4SS*.SBendtrans-110.1141.6-173.857.7-89.3000112.5
473W89.6Confident83.6Confident63 Ų6385 Ų8524%0.23942%0.415CS..  trans-79.5145.9170.5-66.788.4000109.9D464 K466 Q498 R500 A515D464-W473 HydrophobicContact CB-CB 4.16Å; D464-W473 HydrophobicContact CB-CD2 4.44Å; D464-W473 HydrophobicContact CB-CE3 3.83Å; K466-W473 HydrophobicContact CB-CD2 3.81Å; K466-W473 HydrophobicContact CB-CE3 3.5Å; K466-W473 HydrophobicContact CB-CG 4.43Å; K466-W473 HydrophobicContact CB-CH2 4.24Å; K466-W473 HydrophobicContact CB-CZ2 4.5Å; K466-W473 HydrophobicContact CB-CZ3 3.73Å; K466-W473 HydrophobicContact CD-CD2 4.14Å; K466-W473 HydrophobicContact CD-CG 4.46Å; K466-W473 HydrophobicContact CD-CZ2 4.24Å; W473-Q498 HydrophobicContact CH2-CB 3.97Å; W473-Q498 HydrophobicContact CZ3-CB 4.31Å; W473-Q498 WeakPolarHBondContact CZ3-O 3.49Å; W473-R500 HydrophobicContact CD2-CG 4.23Å; W473-R500 HydrophobicContact CE3-CG 3.85Å; W473-R500 HydrophobicContact CH2-CB 4.24Å; W473-R500 HydrophobicContact CH2-CG 4.15Å; W473-R500 HydrophobicContact CZ2-CG 4.5Å; W473-R500 HydrophobicContact CZ3-CB 4.21Å; W473-R500 HydrophobicContact CZ3-CG 3.81Å; W473-A515 HydrophobicContact CH2-CB 3.64Å; W473-A515 HydrophobicContact CZ2-CB 3.85Å
474R85.9Confident83.2Confident147 Ų14789.5 Ų89.556%0.55543%0.434SS*.EExtended strand (participates in β ladder)trans-117.2130.5174.5-174.9-171.1-63171.40.2108.7D464 Q465 V476D464-R474 CarbonylContact C-O 3.53Å; D464-R474 WeakPolarHBondContact CA-O 3.5Å; Q465-R474 HydrophobicContact CG-CB 4.13Å; Q465-R474 PolarHBondContact N-O 3.24Å; Q465-R474 PolarHBondContact O-N 3.01Å; R474-V476 PolarHBondContact O-N 3.03Å
475E85.8Confident82.8Confident137 Ų13790.9 Ų90.964%0.6444%0.44SS*.EExtended strand (participates in β ladder)trans-63.7132.5173.7-64.9175.1175.300110.2D464D464-E475 WeakPolarHBondContact OD1-CA 3.31Å; D464-E475 WeakPolarHBondContact OD1-CG 3.12Å
476V87.4Confident82.4Confident42 Ų4291.6 Ų91.626%0.25545%0.445SS..SBendtrans-87.4-43.5175.8178.50000110.4L463 Q465 R474 L486 V488L463-V476 HydrophobicContact CB-CB 4.17Å; L463-V476 HydrophobicContact CB-CG2 4.38Å; L463-V476 HydrophobicContact CD2-CB 4.22Å; L463-V476 HydrophobicContact CD2-CG1 4.27Å; L463-V476 HydrophobicContact CD2-CG2 4Å; L463-V476 HydrophobicContact CG-CB 4.37Å; L463-V476 HydrophobicContact CG-CG2 4.09Å; L463-V476 VanDerWaalsContact O-CB 3.27Å; L463-V476 WeakPolarHBondContact O-CB 3.49Å; L463-V476 PolarHBondContact O-N 2.83Å; Q465-V476 HydrophobicContact CB-CG2 3.65Å; Q465-V476 HydrophobicContact CG-CG2 3.78Å; R474-V476 PolarHBondContact O-N 3.03Å; V476-L486 HydrophobicContact CG1-CD2 4.05Å; V476-V488 HydrophobicContact CG1-CB 4.36Å; V476-V488 HydrophobicContact CG1-CG1 4Å; V476-V488 HydrophobicContact CG1-CG2 3.97Å; V476-V488 HydrophobicContact CG2-CG1 4.29Å
477N88.7Confident82.3Confident21 Ų2196.5 Ų96.511%0.11246%0.462CS..  trans-128.8131.1-177.363.4-55.8000112.2Y461 Y462 L463 K479 L486Y461-N477 PolarHBondContact O-ND2 3.12Å; Y462-N477 WeakPolarHBondContact CD1-O 3.5Å; L463-N477 WeakPolarHBondContact CB-OD1 3.48Å; L463-N477 PolarHBondContact N-OD1 3.5Å; N477-K479 PolarHBondContact ND2-O 3.32Å; N477-L486 HydrophobicContact CB-CD2 3.93Å; N477-L486 WeakPolarHBondContact OD1-CD2 3.2Å
478I72.3Confident82.3Confident148 Ų14894.8 Ų94.876%0.75945%0.454SS*.SBendtrans-86.3-26.7178.4-57170.4000111.4Y462Y462-I478 WeakPolarHBondContact CE1-O 3.14Å
479K83.1Confident82.6Confident140 Ų14091 Ų9161%0.60944%0.444SS*.SBendtrans-104.9140.6173.2-67.7-175.7178.7-178.10109.3N477 A481 E1041N477-K479 PolarHBondContact ND2-O 3.32Å; K479-A481 PolarHBondContact O-N 2.89Å; K479-E1041 IonicContact NZ-OE1 3.85Å; K479-E1041 PolarHBondContact NZ-OE1 3.25Å; K479-E1041 IonicContact NZ-OE2 3.49Å
480P83.9Confident83Confident48 Ų4894.5 Ų94.531%0.31244%0.444SS..  trans-69.6131.3-174.127.3-31.4000111.3Y461 Y462 K482Y461-P480 CarbonylContact O-C 3.59Å; Y461-P480 VanDerWaalsContact O-CA 3.31Å; Y461-P480 WeakPolarHBondContact O-CA 3.43Å; Y462-P480 HydrophobicContact CD2-CB 4.33Å; Y462-P480 HydrophobicContact CE1-CB 4.21Å; Y462-P480 HydrophobicContact CE2-CB 3.79Å; Y462-P480 HydrophobicContact CE2-CG 4.41Å; Y462-P480 WeakPolarHBondContact OH-CD 3.38Å; P480-K482 PolarHBondContact O-N 3.12Å
481A81.4Confident83.4Confident16 Ų1691.1 Ų91.113%0.13243%0.427CS..BIsolated β-bridgetrans-67.6128172.700000109.4G460 Y461 K479 L486G460-A481 CarbonylContact C-O 3.51Å; G460-A481 WeakPolarHBondContact CA-O 3.29Å; Y461-A481 PolarHBondContact N-O 2.87Å; Y461-A481 PolarHBondContact O-N 3.49Å; K479-A481 PolarHBondContact O-N 2.89Å; A481-L486 HydrophobicContact CB-CD1 4.16Å
482K78.9Confident83.9Confident185 Ų18587.3 Ų87.380%0.80441%0.408SS*.SBendtrans-78.2-25.6-179.8-66-175.9179.9179.60112.6P480P480-K482 PolarHBondContact O-N 3.12Å
483E79.1Confident84.4Confident123 Ų12384.4 Ų84.458%0.57540%0.401SS*.SBendtrans-89.9160.1179.3-62176.5-161.400110.9Q485E483-Q485 HydrophobicContact CB-CG 4.03Å; E483-Q485 PolarHBondContact O-N 2.82Å; E483-Q485 PolarHBondContact OE2-NE2 3.09Å
484K85.9Confident83.9Confident93 Ų9383.9 Ų83.940%0.40442%0.415SS..SBendtrans-80.628.5177.7-62.1178-68.7-179.40112.5G446 W447 A449 Y461 D534G446-K484 WeakPolarHBondContact CA-O 3.29Å; W447-K484 PolarHBondContact N-O 3.48Å; A449-K484 HydrophobicContact CB-CD 4.39Å; Y461-K484 HydrophobicContact CE2-CG 4.18Å; K484-D534 IonicContact NZ-OD1 2.98Å; K484-D534 PolarHBondContact NZ-OD1 2.96Å
485Q84.8Confident83.9Confident41 Ų4180.2 Ų80.219%0.19240%0.404CS..EExtended strand (participates in β ladder)trans-155.1154.6-176.962-178.13.200110.8L436 L445 E483L436-Q485 HydrophobicContact CD1-CB 4.11Å; L445-Q485 CarbonylContact O-C 3.59Å; L445-Q485 WeakPolarHBondContact O-CA 3.38Å; L445-Q485 VanDerWaalsContact O-CB 3.31Å; L445-Q485 WeakPolarHBondContact O-CB 3.25Å; E483-Q485 HydrophobicContact CB-CG 4.03Å; E483-Q485 PolarHBondContact O-N 2.82Å; E483-Q485 PolarHBondContact OE2-NE2 3.09Å
486L86.4Confident84Confident35 Ų3577.5 Ų77.518%0.18339%0.39CS..EExtended strand (participates in β ladder)trans-152.1138.5177.4-176.666.8000111.5L445 W447 L463 V476 N477 A481L445-L486 PolarHBondContact N-O 2.95Å; L445-L486 PolarHBondContact O-N 3.39Å; W447-L486 HydrophobicContact CH2-CB 3.64Å; W447-L486 HydrophobicContact CZ3-CB 4.03Å; L463-L486 HydrophobicContact CB-CD2 3.69Å; L463-L486 HydrophobicContact CD2-CB 4.39Å; L463-L486 HydrophobicContact CD2-CD2 3.85Å; L463-L486 HydrophobicContact CD2-CG 4.44Å; L463-L486 HydrophobicContact CG-CD2 4.41Å; V476-L486 HydrophobicContact CG1-CD2 4.05Å; N477-L486 HydrophobicContact CB-CD2 3.93Å; N477-L486 WeakPolarHBondContact OD1-CD2 3.2Å; A481-L486 HydrophobicContact CB-CD1 4.16Å
487R87.2Confident84.2Confident145 Ų14575.8 Ų75.855%0.54738%0.379SS..EExtended strand (participates in β ladder)trans-85.6133.1170.9-178.8173.8175.7177.1-4.9110.3E442 M443 V444E442-R487 VanDerWaalsContact CD-NE 3.31Å; E442-R487 IonicContact OE1-CZ 3.78Å; E442-R487 VanDerWaalsContact OE1-CZ 3.23Å; E442-R487 IonicContact OE1-NE 3.92Å; E442-R487 PolarHBondContact OE1-NE 3.42Å; E442-R487 IonicContact OE1-NH2 2.99Å; E442-R487 PolarHBondContact OE1-NH2 3.35Å; E442-R487 IonicContact OE2-CZ 3.3Å; E442-R487 IonicContact OE2-NE 2.74Å; E442-R487 PolarHBondContact OE2-NE 3.36Å; E442-R487 VanDerWaalsContact OE2-NE 3.16Å; E442-R487 IonicContact OE2-NH2 2.75Å; E442-R487 PolarHBondContact OE2-NH2 3.42Å; M443-R487 CarbonylContact O-C 3.46Å; M443-R487 WeakPolarHBondContact O-CA 3.36Å; V444-R487 HydrophobicContact CG2-CB 4.07Å; V444-R487 HydrophobicContact CG2-CG 4.07Å
488V88.3Confident84.5Confident1 Ų176.9 Ų76.91%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-115122.6177.3-169.70000107.1E442 M443 L445 L463 V476 L491 F499E442-V488 CarbonylContact C-O 3.57Å; E442-V488 WeakPolarHBondContact CA-O 3.43Å; E442-V488 WeakPolarHBondContact CB-O 3.13Å; M443-V488 PolarHBondContact N-O 3.1Å; M443-V488 PolarHBondContact O-N 2.79Å; L445-V488 HydrophobicContact CD2-CG2 3.64Å; L463-V488 HydrophobicContact CD2-CG2 3.61Å; V476-V488 HydrophobicContact CG1-CB 4.36Å; V476-V488 HydrophobicContact CG1-CG1 4Å; V476-V488 HydrophobicContact CG1-CG2 3.97Å; V476-V488 HydrophobicContact CG2-CG1 4.29Å; V488-L491 HydrophobicContact CB-CD1 4.44Å; V488-L491 HydrophobicContact CG1-CD1 4.32Å; V488-L491 HydrophobicContact CG1-CD2 3.91Å; V488-L491 HydrophobicContact CG1-CG 4.26Å; V488-F499 HydrophobicContact CB-CE1 4.38Å; V488-F499 HydrophobicContact CG1-CE1 4.13Å; V488-F499 HydrophobicContact CG2-CE1 3.89Å
489S86Confident85.6Confident47 Ų4769.8 Ų69.833%0.32935%0.347SS..  trans-113.2175.7-179.3-61.30000110.9S441 E442 L491S441-S489 CarbonylContact O-C 3.52Å; E442-S489 PolarHBondContact OE1-OG 2.94Å; S489-L491 VanDerWaalsContact C-N 3.3Å; S489-L491 PolarHBondContact O-N 2.89Å
490D83.6Confident86.2Confident153 Ų15366 Ų6682%0.81833%0.329SS*.SBendtrans6231.9-179.5-53.6-43.2000114.5S441S441-D490 PolarHBondContact O-N 2.87Å; S441-D490 VanDerWaalsContact O-N 3.09Å
491L86.8Confident86.7Confident9 Ų963.8 Ų63.85%0.04731%0.314CS..PPolyproline II helixtrans-81.3151.8173-57.6178.9000110.8S441 M443 V488 S489 Y497S441-L491 WeakPolarHBondContact CA-O 3.22Å; S441-L491 WeakPolarHBondContact O-CB 3.23Å; S441-L491 PolarHBondContact O-N 2.92Å; M443-L491 HydrophobicContact CB-CD1 3.71Å; M443-L491 HydrophobicContact CE-CD1 4.44Å; M443-L491 HydrophobicContact CG-CD1 3.47Å; M443-L491 VanDerWaalsContact CG-CD1 3.47Å; M443-L491 HydrophobicContact SD-CD1 3.79Å; V488-L491 HydrophobicContact CB-CD1 4.44Å; V488-L491 HydrophobicContact CG1-CD1 4.32Å; V488-L491 HydrophobicContact CG1-CD2 3.91Å; V488-L491 HydrophobicContact CG1-CG 4.26Å; S489-L491 VanDerWaalsContact C-N 3.3Å; S489-L491 PolarHBondContact O-N 2.89Å; L491-Y497 HydrophobicContact CB-CD2 4.49Å; L491-Y497 HydrophobicContact CB-CE2 3.89Å; L491-Y497 HydrophobicContact CD1-CD2 4.45Å; L491-Y497 HydrophobicContact CD2-CD1 4Å; L491-Y497 HydrophobicContact CD2-CD2 4.11Å; L491-Y497 HydrophobicContact CD2-CE1 3.82Å; L491-Y497 HydrophobicContact CD2-CE2 3.93Å; L491-Y497 HydrophobicContact CD2-CG 4.14Å; L491-Y497 HydrophobicContact CG-CE2 4.37Å
492K84.2Confident87.4Confident111 Ų11164.4 Ų64.448%0.48331%0.314SS..PPolyproline II helixtrans-92123.4178.7-63.5175.1-175.21660110.3E467 G494 H495 Y497 C521E467-K492 IonicContact OE2-NZ 3.23Å; K492-G494 PolarHBondContact O-N 2.79Å; K492-H495 HydrophobicContact CB-CB 4.1Å; K492-H495 VanDerWaalsContact CB-CD2 3.42Å; K492-H495 WeakPolarHBondContact CB-CD2 3.26Å; K492-H495 WeakPolarHBondContact O-CB 3.35Å; K492-H495 PolarHBondContact O-N 2.86Å; K492-H495 VanDerWaalsContact O-N 3.11Å; K492-Y497 PolarHBondContact N-OH 3.02Å; K492-C521 VanDerWaalsContact O-CB 3.29Å; K492-C521 WeakPolarHBondContact O-CB 3.08Å
493T83.6Confident87.9Confident68 Ų6855.6 Ų55.642%0.41728%0.276SS..THydrogen-bonded Turntrans-56132.9173-33.30000110.7E440 H495 C521 K523E440-T493 HydrophobicContact CB-CG2 4.09Å; E440-T493 WeakPolarHBondContact O-CA 3.45Å; E440-T493 WeakPolarHBondContact O-CB 3.29Å; E440-T493 PolarHBondContact O-N 2.82Å; E440-T493 PolarHBondContact O-OG1 2.85Å; T493-H495 PolarHBondContact O-CD2 2.94Å; T493-C521 CarbonylContact C-O 3.6Å; T493-K523 HydrophobicContact CG2-CB 4.1Å
494G79.5Confident88.1Confident52 Ų5250.2 Ų50.254%0.53625%0.252SS..THydrogen-bonded Turntrans86.2-2.1-177.500000115K492 L520 C521K492-G494 PolarHBondContact O-N 2.79Å; G494-L520 WeakPolarHBondContact O-CD1 3.41Å; G494-C521 PolarHBondContact N-O 3.16Å
495H85.6Confident87.9Confident69 Ų6946.2 Ų46.232%0.31924%0.235SC..  trans-98.8151.9-179.6-69.2-118.5000112.2E467 K492 T493 Y497 C521E467-H495 HydrophobicContact CG-CB 4.49Å; E467-H495 IonicContact OE1-CE1 3.4Å; E467-H495 PolarHBondContact OE1-CE1 3.3Å; E467-H495 IonicContact OE1-CG 3.76Å; E467-H495 IonicContact OE1-ND1 2.66Å; E467-H495 PolarHBondContact OE1-ND1 2.79Å; K492-H495 HydrophobicContact CB-CB 4.1Å; K492-H495 VanDerWaalsContact CB-CD2 3.42Å; K492-H495 WeakPolarHBondContact CB-CD2 3.26Å; K492-H495 WeakPolarHBondContact O-CB 3.35Å; K492-H495 PolarHBondContact O-N 2.86Å; K492-H495 VanDerWaalsContact O-N 3.11Å; T493-H495 PolarHBondContact O-CD2 2.94Å; H495-Y497 HydrophobicContact CB-CE2 3.75Å; H495-C521 PolarHBondContact O-N 3.03Å
496F88.3Confident87.2Confident81 Ų8146.7 Ų46.736%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-97.8134.3177.6-73.2-89.8000111E467 K468 A518 F519 L520E467-F496 CarbonylContact C-O 3.5Å; E467-F496 WeakPolarHBondContact CA-O 3.49Å; K468-F496 HydrophobicContact CB-CB 3.56Å; K468-F496 WeakPolarHBondContact CB-O 3.49Å; K468-F496 HydrophobicContact CD-CB 3.67Å; K468-F496 HydrophobicContact CD-CD2 4.35Å; K468-F496 HydrophobicContact CD-CG 3.97Å; K468-F496 HydrophobicContact CG-CB 4.27Å; K468-F496 PolarHBondContact N-O 2.84Å; F496-A518 HydrophobicContact CB-CB 4.22Å; F496-A518 HydrophobicContact CD1-CB 4.22Å; F496-F519 CarbonylContact C-O 3.48Å; F496-F519 VanDerWaalsContact CA-O 3.25Å; F496-F519 WeakPolarHBondContact CA-O 3.46Å; F496-L520 HydrophobicContact CD1-CB 4.01Å; F496-L520 HydrophobicContact CD1-CD1 4.36Å; F496-L520 HydrophobicContact CD2-CD1 4.03Å; F496-L520 HydrophobicContact CE1-CB 3.73Å; F496-L520 HydrophobicContact CE1-CD1 4.15Å; F496-L520 HydrophobicContact CE1-CG 4.37Å; F496-L520 HydrophobicContact CE2-CD1 3.8Å; F496-L520 HydrophobicContact CG-CD1 4.3Å; F496-L520 HydrophobicContact CZ-CB 4.19Å; F496-L520 HydrophobicContact CZ-CD1 3.86Å; F496-L520 HydrophobicContact CZ-CD2 4.29Å; F496-L520 HydrophobicContact CZ-CG 4.34Å
497Y91.4Very high86.2Confident6 Ų647.2 Ų47.22%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-125.9138.5179.9-66.2-84.5000111.7M443 K466 E467 L491 K492 H495 A518 F519 C521M443-Y497 HydrophobicContact CE-CD2 4.41Å; K466-Y497 CarbonylContact O-C 3.59Å; K466-Y497 WeakPolarHBondContact O-CA 3.23Å; E467-Y497 HydrophobicContact CB-CD1 4.09Å; E467-Y497 HydrophobicContact CB-CE1 3.83Å; E467-Y497 HydrophobicContact CG-CD1 4.35Å; E467-Y497 HydrophobicContact CG-CE1 3.88Å; L491-Y497 HydrophobicContact CB-CD2 4.49Å; L491-Y497 HydrophobicContact CB-CE2 3.89Å; L491-Y497 HydrophobicContact CD1-CD2 4.45Å; L491-Y497 HydrophobicContact CD2-CD1 4Å; L491-Y497 HydrophobicContact CD2-CD2 4.11Å; L491-Y497 HydrophobicContact CD2-CE1 3.82Å; L491-Y497 HydrophobicContact CD2-CE2 3.93Å; L491-Y497 HydrophobicContact CD2-CG 4.14Å; L491-Y497 HydrophobicContact CG-CE2 4.37Å; K492-Y497 PolarHBondContact N-OH 3.02Å; H495-Y497 HydrophobicContact CB-CE2 3.75Å; Y497-A518 CarbonylContact O-C 3.46Å; Y497-A518 WeakPolarHBondContact O-CA 3.21Å; Y497-F519 PolarHBondContact N-O 3.22Å; Y497-F519 PolarHBondContact O-N 2.99Å; Y497-C521 HydrophobicContact CD2-CB 4.49Å; Y497-C521 HydrophobicContact CE2-CB 4.3Å
498Q93.9Very high85.3Confident43 Ų4341.6 Ų41.620%0.20124%0.243CC..EExtended strand (participates in β ladder)trans-108.7149.8168.9-61.2-171.3-74.500109.8Q465 K466 W473 S516 A518Q465-Q498 CarbonylContact C-O 3.59Å; Q465-Q498 WeakPolarHBondContact CA-O 3.44Å; K466-Q498 PolarHBondContact N-O 2.96Å; K466-Q498 VanDerWaalsContact NZ-OE1 3.12Å; K466-Q498 PolarHBondContact O-N 2.87Å; W473-Q498 HydrophobicContact CH2-CB 3.97Å; W473-Q498 HydrophobicContact CZ3-CB 4.31Å; W473-Q498 WeakPolarHBondContact CZ3-O 3.49Å; Q498-S516 PolarHBondContact NE2-O 3.42Å; Q498-A518 HydrophobicContact CG-CB 3.93Å
499F94.8Very high85Confident0 Ų045 Ų450%026%0.264CS..EExtended strand (participates in β ladder)trans-130.7152-178-59.7-84.4000111.7I433 M443 L445 L463 D464 Q465 V488 A515 S516 F519I433-F499 WeakPolarHBondContact CD1-O 2.96Å; I433-F499 HydrophobicContact CG2-CB 4.48Å; M443-F499 HydrophobicContact SD-CE2 3.87Å; M443-F499 HydrophobicContact SD-CZ 3.99Å; L445-F499 HydrophobicContact CD1-CD2 3.89Å; L445-F499 HydrophobicContact CD1-CE2 4.1Å; L445-F499 HydrophobicContact CD1-CG 4.42Å; L445-F499 HydrophobicContact CD2-CD1 4.47Å; L445-F499 HydrophobicContact CD2-CD2 4.41Å; L445-F499 HydrophobicContact CD2-CE1 4.24Å; L445-F499 HydrophobicContact CD2-CE2 4.18Å; L445-F499 HydrophobicContact CD2-CZ 4.08Å; L445-F499 HydrophobicContact CG-CD1 4.44Å; L445-F499 HydrophobicContact CG-CD2 4.04Å; L445-F499 HydrophobicContact CG-CE2 4.28Å; L445-F499 HydrophobicContact CG-CG 4.12Å; L463-F499 HydrophobicContact CD1-CB 4.13Å; L463-F499 HydrophobicContact CD2-CD1 4.06Å; L463-F499 HydrophobicContact CG-CD1 4.33Å; D464-F499 VanDerWaalsContact O-CA 3.25Å; D464-F499 WeakPolarHBondContact O-CA 3.22Å; Q465-F499 HydrophobicContact CB-CD1 3.77Å; Q465-F499 HydrophobicContact CB-CE1 3.57Å; V488-F499 HydrophobicContact CB-CE1 4.38Å; V488-F499 HydrophobicContact CG1-CE1 4.13Å; V488-F499 HydrophobicContact CG2-CE1 3.89Å; F499-A515 CarbonylContact O-C 3.58Å; F499-A515 WeakPolarHBondContact O-CA 3.15Å; F499-S516 PolarHBondContact N-OG 3.41Å; F499-S516 PolarHBondContact O-N 2.58Å; F499-F519 AromaticContact CD2-CD2 3.8Å; F499-F519 HydrophobicContact CD2-CD2 3.8Å; F499-F519 HydrophobicContact CD2-CE2 4.19Å; F499-F519 AromaticContact CE2-CD2 3.92Å; F499-F519 HydrophobicContact CE2-CD2 3.92Å
500R95.7Very high85.1Confident61 Ų6143.2 Ų43.223%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-142145.1169.264.2-178.8-172.6179.10.2110L463 D464 W473 F502 P512 S513L463-R500 WeakPolarHBondContact CA-O 3.44Å; D464-R500 HydrophobicContact CB-CG 3.76Å; D464-R500 PolarHBondContact N-O 3.02Å; D464-R500 PolarHBondContact O-N 2.69Å; D464-R500 IonicContact OD2-CZ 3.23Å; D464-R500 VanDerWaalsContact OD2-CZ 3.23Å; D464-R500 IonicContact OD2-NE 2.88Å; D464-R500 PolarHBondContact OD2-NE 3.46Å; D464-R500 IonicContact OD2-NH2 2.73Å; D464-R500 PolarHBondContact OD2-NH2 3.44Å; W473-R500 HydrophobicContact CD2-CG 4.23Å; W473-R500 HydrophobicContact CE3-CG 3.85Å; W473-R500 HydrophobicContact CH2-CB 4.24Å; W473-R500 HydrophobicContact CH2-CG 4.15Å; W473-R500 HydrophobicContact CZ2-CG 4.5Å; W473-R500 HydrophobicContact CZ3-CB 4.21Å; W473-R500 HydrophobicContact CZ3-CG 3.81Å; R500-F502 HydrophobicContact CG-CE2 4.2Å; R500-P512 HydrophobicContact CB-CB 4.43Å; R500-P512 HydrophobicContact CG-CB 4.28Å; R500-S513 WeakPolarHBondContact CA-OG 3.28Å
501V95.8Very high85.4Confident0 Ų043.3 Ų43.30%025%0.246CC..EExtended strand (participates in β ladder)trans-117.4143.5-172.8-176.10000110.4P430 I433 W447 Y461 Y462 L463 P512 S513P430-V501 HydrophobicContact CB-CB 4.23Å; P430-V501 HydrophobicContact CB-CG1 4.11Å; P430-V501 HydrophobicContact CG-CB 4.34Å; P430-V501 HydrophobicContact CG-CG1 3.93Å; I433-V501 HydrophobicContact CD1-CB 4.4Å; I433-V501 HydrophobicContact CD1-CG2 3.7Å; I433-V501 HydrophobicContact CG1-CG2 3.88Å; W447-V501 HydrophobicContact CB-CG2 4.37Å; W447-V501 HydrophobicContact CD2-CB 4.31Å; W447-V501 HydrophobicContact CD2-CG1 3.81Å; W447-V501 HydrophobicContact CD2-CG2 3.61Å; W447-V501 HydrophobicContact CE3-CG1 4.4Å; W447-V501 HydrophobicContact CE3-CG2 3.52Å; W447-V501 HydrophobicContact CG-CB 4.44Å; W447-V501 HydrophobicContact CG-CG1 4.07Å; W447-V501 HydrophobicContact CG-CG2 3.99Å; W447-V501 HydrophobicContact CZ2-CG1 4.02Å; W447-V501 HydrophobicContact CZ3-CG2 4.01Å; Y461-V501 HydrophobicContact CD1-CG1 3.99Å; Y461-V501 HydrophobicContact CG-CG1 4.45Å; Y462-V501 CarbonylContact O-C 3.48Å; Y462-V501 VanDerWaalsContact O-CA 3.27Å; Y462-V501 WeakPolarHBondContact O-CA 3.1Å; L463-V501 HydrophobicContact CD1-CB 4.47Å; L463-V501 HydrophobicContact CD1-CG2 3.4Å; V501-P512 CarbonylContact O-C 3.56Å; V501-P512 WeakPolarHBondContact O-CA 3.22Å; V501-S513 PolarHBondContact N-OG 3.33Å; V501-S513 PolarHBondContact O-N 2.77Å
502F95.1Very high85.6Confident30 Ų3045.1 Ų45.113%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-118.6144.5172.9-49.7-113.7000109.4Y461 Y462 D464 R500 V509 G510 P512Y461-F502 CarbonylContact C-O 3.5Å; Y461-F502 WeakPolarHBondContact CA-O 3.4Å; Y462-F502 PolarHBondContact N-O 2.86Å; Y462-F502 PolarHBondContact O-N 3.19Å; D464-F502 HydrophobicContact CB-CE2 4.35Å; D464-F502 WeakPolarHBondContact OD2-CE2 3.4Å; D464-F502 WeakPolarHBondContact OD2-CZ 3.44Å; R500-F502 HydrophobicContact CG-CE2 4.2Å; F502-V509 HydrophobicContact CB-CG1 3.55Å; F502-V509 HydrophobicContact CD1-CG1 4.11Å; F502-V509 HydrophobicContact CG-CG1 4.14Å; F502-G510 WeakPolarHBondContact CD1-O 3.38Å; F502-P512 HydrophobicContact CD1-CB 3.76Å; F502-P512 HydrophobicContact CD1-CG 4.21Å; F502-P512 HydrophobicContact CD2-CB 4.39Å; F502-P512 HydrophobicContact CE1-CB 3.4Å; F502-P512 VanDerWaalsContact CE1-CD 3.47Å; F502-P512 HydrophobicContact CE1-CG 3.59Å; F502-P512 HydrophobicContact CE2-CB 4.05Å; F502-P512 HydrophobicContact CG-CB 4.26Å; F502-P512 HydrophobicContact CZ-CB 3.55Å; F502-P512 HydrophobicContact CZ-CG 3.99Å
503A90.3Very high86.1Confident0 Ų040.3 Ų40.30%024%0.238CC..EExtended strand (participates in β ladder)trans-103.3141.2170.200000110.4P427 P430 P450 V458 Y461 G510P427-A503 HydrophobicContact CB-CB 3.8Å; P427-A503 HydrophobicContact CG-CB 4.16Å; P430-A503 HydrophobicContact CG-CB 3.82Å; P450-A503 HydrophobicContact CB-CB 4.44Å; P450-A503 HydrophobicContact CG-CB 3.84Å; V458-A503 HydrophobicContact CG1-CB 4.15Å; Y461-A503 HydrophobicContact CD1-CB 4.02Å; Y461-A503 HydrophobicContact CE1-CB 3.88Å; A503-G510 PolarHBondContact O-N 3.11Å
504A83.6Confident86.4Confident9 Ų944.2 Ų44.27%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-123.7137.8179.500000111.5V458 R459 G460 Y462 G508 V509V458-A504 CarbonylContact C-O 3.54Å; V458-A504 WeakPolarHBondContact CA-O 3.28Å; R459-A504 PolarHBondContact N-O 2.75Å; G460-A504 PolarHBondContact O-N 2.98Å; Y462-A504 HydrophobicContact CD2-CB 4.25Å; Y462-A504 HydrophobicContact CE2-CB 3.82Å; A504-G508 WeakPolarHBondContact CA-O 3.31Å; A504-V509 HydrophobicContact CB-CB 4.47Å; A504-V509 HydrophobicContact CB-CG2 4Å
505N81.3Confident86.9Confident9 Ų944.1 Ų44.15%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-126.8-167.3170.971.17.6000110.3N425 P427 N453 S457 A507 G508N425-N505 PolarHBondContact O-ND2 2.82Å; P427-N505 HydrophobicContact CG-CB 3.82Å; N453-N505 PolarHBondContact O-ND2 2.74Å; S457-N505 WeakPolarHBondContact O-CB 3.4Å; N505-A507 PolarHBondContact O-N 2.65Å; N505-A507 WeakPolarHBondContact OD1-CA 3.37Å; N505-A507 WeakPolarHBondContact OD1-CB 3.47Å; N505-A507 PolarHBondContact OD1-N 3.11Å; N505-G508 PolarHBondContact N-O 3.15Å; N505-G508 PolarHBondContact O-N 2.96Å; N505-G508 VanDerWaalsContact O-N 3.1Å; N505-G508 PolarHBondContact OD1-N 3.23Å
506A70.8Confident87Confident52 Ų5241.2 Ų41.243%0.4324%0.238SC..THydrogen-bonded Turntrans-61.4-22.1178.800000114.3I424I424-A506 HydrophobicContact CD1-CB 4.33Å
507A63.5Low86.9Confident45 Ų4544.6 Ų44.637%0.37226%0.255SS..THydrogen-bonded Turntrans-86.2-10176.700000113.7I424 V426 N505I424-A507 HydrophobicContact CB-CB 4.11Å; I424-A507 HydrophobicContact CG2-CB 3.73Å; I424-A507 WeakPolarHBondContact O-CB 3.04Å; V426-A507 HydrophobicContact CG1-CB 4.32Å; N505-A507 PolarHBondContact O-N 2.65Å; N505-A507 WeakPolarHBondContact OD1-CA 3.37Å; N505-A507 WeakPolarHBondContact OD1-CB 3.47Å; N505-A507 PolarHBondContact OD1-N 3.11Å
508G68.6Low86.6Confident28 Ų2845.7 Ų45.729%0.28927%0.265SS..EExtended strand (participates in β ladder)trans124.2-167.5177.600000113.6A504 N505A504-G508 WeakPolarHBondContact CA-O 3.31Å; N505-G508 PolarHBondContact N-O 3.15Å; N505-G508 PolarHBondContact O-N 2.96Å; N505-G508 VanDerWaalsContact O-N 3.1Å; N505-G508 PolarHBondContact OD1-N 3.23Å
509V83.1Confident86.2Confident72 Ų7244.3 Ų44.344%0.43626%0.259SS..EExtended strand (participates in β ladder)trans-86.1128-178.3-1710000109.8Y462 F502 A504Y462-V509 HydrophobicContact CD2-CG1 4.07Å; Y462-V509 HydrophobicContact CD2-CG2 4.02Å; Y462-V509 HydrophobicContact CE2-CG2 3.68Å; F502-V509 HydrophobicContact CB-CG1 3.55Å; F502-V509 HydrophobicContact CD1-CG1 4.11Å; F502-V509 HydrophobicContact CG-CG1 4.14Å; A504-V509 HydrophobicContact CB-CB 4.47Å; A504-V509 HydrophobicContact CB-CG2 4Å
510G86.9Confident85.7Confident9 Ų946.9 Ų46.99%0.09327%0.272CS..  trans-72-177.4175.400000113.2P427 F502 A503P427-G510 WeakPolarHBondContact O-CA 3.36Å; F502-G510 WeakPolarHBondContact CD1-O 3.38Å; A503-G510 PolarHBondContact O-N 3.11Å
511K90Very high85Confident156 Ų15644 Ų4468%0.67826%0.261SS*.PPolyproline II helixtrans-70.5150.9175.1-72.3-178.6-177.5-179.80111P429P429-K511 WeakPolarHBondContact CA-O 3.38Å; P429-K511 HydrophobicContact CG-CB 3.88Å
512P91.4Very high83.9Confident47 Ų4749.1 Ų49.131%0.30529%0.285SS..PPolyproline II helixtrans-66.4151.6175.522.2-26.1000111.5P429 R500 V501 F502P429-P512 WeakPolarHBondContact CB-O 3.36Å; R500-P512 HydrophobicContact CB-CB 4.43Å; R500-P512 HydrophobicContact CG-CB 4.28Å; V501-P512 CarbonylContact O-C 3.56Å; V501-P512 WeakPolarHBondContact O-CA 3.22Å; F502-P512 HydrophobicContact CD1-CB 3.76Å; F502-P512 HydrophobicContact CD1-CG 4.21Å; F502-P512 HydrophobicContact CD2-CB 4.39Å; F502-P512 HydrophobicContact CE1-CB 3.4Å; F502-P512 VanDerWaalsContact CE1-CD 3.47Å; F502-P512 HydrophobicContact CE1-CG 3.59Å; F502-P512 HydrophobicContact CE2-CB 4.05Å; F502-P512 HydrophobicContact CG-CB 4.26Å; F502-P512 HydrophobicContact CZ-CB 3.55Å; F502-P512 HydrophobicContact CZ-CG 3.99Å
513S95.1Very high81.7Confident9 Ų955.5 Ų55.56%0.06331%0.313CS..PPolyproline II helixtrans-59.4166.3163.972.80000111.4P430 I433 R500 V501P430-S513 WeakPolarHBondContact O-CB 3.4Å; I433-S513 VanDerWaalsContact CD1-OG 3.26Å; I433-S513 WeakPolarHBondContact CD1-OG 3.43Å; R500-S513 WeakPolarHBondContact CA-OG 3.28Å; V501-S513 PolarHBondContact N-OG 3.33Å; V501-S513 PolarHBondContact O-N 2.77Å
514D90Very high79.4Confident151 Ų15163.4 Ų63.481%0.80734%0.343SS*.PPolyproline II helixtrans-56.9148.6160.1-66.2-41.1000110
515A89.2Confident77.8Confident49 Ų4969 Ų6941%0.40538%0.376SS..PPolyproline II helixtrans-64.7136.6176.100000109.8W473 F499W473-A515 HydrophobicContact CH2-CB 3.64Å; W473-A515 HydrophobicContact CZ2-CB 3.85Å; F499-A515 CarbonylContact O-C 3.58Å; F499-A515 WeakPolarHBondContact O-CA 3.15Å
516S89.3Confident76.2Confident9 Ų974.9 Ų74.96%0.06341%0.405CS..PPolyproline II helixtrans-58.3162.217075.40000110.8Q498 F499Q498-S516 PolarHBondContact NE2-O 3.42Å; F499-S516 PolarHBondContact N-OG 3.41Å; F499-S516 PolarHBondContact O-N 2.58Å
517E84.8Confident75.6Confident151 Ų15173.4 Ų73.471%0.70639%0.391SS*.PPolyproline II helixtrans-57.3160.4159.466.5-178.5164.100110.7F519E517-F519 HydrophobicContact CG-CD1 3.96Å; E517-F519 HydrophobicContact CG-CE1 3.39Å; E517-F519 HydrophobicContact CG-CZ 3.85Å; E517-F519 PolarHBondContact O-N 2.94Å; E517-F519 WeakPolarHBondContact OE1-CE1 3.49Å
518A85.8Confident75.8Confident29 Ų2975.9 Ų75.924%0.2440%0.395CS..  trans-81.4109.2-178.500000109.8K468 F496 Y497 Q498K468-A518 HydrophobicContact CD-CB 3.99Å; F496-A518 HydrophobicContact CB-CB 4.22Å; F496-A518 HydrophobicContact CD1-CB 4.22Å; Y497-A518 CarbonylContact O-C 3.46Å; Y497-A518 WeakPolarHBondContact O-CA 3.21Å; Q498-A518 HydrophobicContact CG-CB 3.93Å
519F85.3Confident76.1Confident14 Ų1474.8 Ų74.86%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-84.4135.8178.1-58-55.7000111.1L435 M443 L445 F496 Y497 F499 E517L435-F519 HydrophobicContact CB-CD1 3.78Å; L435-F519 HydrophobicContact CB-CD2 4.12Å; L435-F519 HydrophobicContact CB-CE1 3.74Å; L435-F519 HydrophobicContact CB-CE2 4.1Å; L435-F519 HydrophobicContact CB-CG 3.98Å; L435-F519 HydrophobicContact CB-CZ 3.92Å; L435-F519 HydrophobicContact CD1-CD2 4.48Å; L435-F519 HydrophobicContact CD1-CG 4.49Å; L435-F519 HydrophobicContact CD2-CB 3.92Å; L435-F519 HydrophobicContact CD2-CD1 4.01Å; L435-F519 HydrophobicContact CD2-CG 3.98Å; L435-F519 HydrophobicContact CG-CD1 4.45Å; L435-F519 HydrophobicContact CG-CG 4.37Å; M443-F519 HydrophobicContact CE-CB 3.95Å; M443-F519 HydrophobicContact SD-CB 3.97Å; L445-F519 HydrophobicContact CD1-CD2 3.85Å; L445-F519 HydrophobicContact CD1-CE2 3.66Å; F496-F519 CarbonylContact C-O 3.48Å; F496-F519 VanDerWaalsContact CA-O 3.25Å; F496-F519 WeakPolarHBondContact CA-O 3.46Å; Y497-F519 PolarHBondContact N-O 3.22Å; Y497-F519 PolarHBondContact O-N 2.99Å; F499-F519 AromaticContact CD2-CD2 3.8Å; F499-F519 HydrophobicContact CD2-CD2 3.8Å; F499-F519 HydrophobicContact CD2-CE2 4.19Å; F499-F519 AromaticContact CE2-CD2 3.92Å; F499-F519 HydrophobicContact CE2-CD2 3.92Å; E517-F519 HydrophobicContact CG-CD1 3.96Å; E517-F519 HydrophobicContact CG-CE1 3.39Å; E517-F519 HydrophobicContact CG-CZ 3.85Å; E517-F519 PolarHBondContact O-N 2.94Å; E517-F519 WeakPolarHBondContact OE1-CE1 3.49Å
520L84.2Confident75.6Confident54 Ų5471.8 Ų71.828%0.28337%0.366SS..EExtended strand (participates in β ladder)trans-86.3131.1176.5-179.360.4000110.8C438 M443 G494 F496 E522C438-L520 PolarHBondContact SG-O 2.93Å; C438-L520 VanDerWaalsContact SG-O 3.41Å; M443-L520 WeakPolarHBondContact CE-O 3.44Å; G494-L520 WeakPolarHBondContact O-CD1 3.41Å; F496-L520 HydrophobicContact CD1-CB 4.01Å; F496-L520 HydrophobicContact CD1-CD1 4.36Å; F496-L520 HydrophobicContact CD2-CD1 4.03Å; F496-L520 HydrophobicContact CE1-CB 3.73Å; F496-L520 HydrophobicContact CE1-CD1 4.15Å; F496-L520 HydrophobicContact CE1-CG 4.37Å; F496-L520 HydrophobicContact CE2-CD1 3.8Å; F496-L520 HydrophobicContact CG-CD1 4.3Å; F496-L520 HydrophobicContact CZ-CB 4.19Å; F496-L520 HydrophobicContact CZ-CD1 3.86Å; F496-L520 HydrophobicContact CZ-CD2 4.29Å; F496-L520 HydrophobicContact CZ-CG 4.34Å; L520-E522 HydrophobicContact CB-CG 4.24Å; L520-E522 HydrophobicContact CD2-CG 3.76Å; L520-E522 HydrophobicContact CG-CG 3.74Å; L520-E522 PolarHBondContact O-N 3.32Å
521C82Confident75.2Confident0 Ų072 Ų720%037%0.366CS..  trans-80.497.7172.2-1610000109.6T439 E440 M443 K492 T493 G494 H495 Y497T439-C521 PolarHBondContact O-SG 2.64Å; E440-C521 PolarHBondContact O-SG 3.05Å; M443-C521 VanDerWaalsContact CE-CA 3.47Å; M443-C521 HydrophobicContact CE-CB 3.79Å; M443-C521 VanDerWaalsContact CE-N 3.35Å; K492-C521 VanDerWaalsContact O-CB 3.29Å; K492-C521 WeakPolarHBondContact O-CB 3.08Å; T493-C521 CarbonylContact C-O 3.6Å; G494-C521 PolarHBondContact N-O 3.16Å; H495-C521 PolarHBondContact O-N 3.03Å; Y497-C521 HydrophobicContact CD2-CB 4.49Å; Y497-C521 HydrophobicContact CE2-CB 4.3Å
522E71.4Confident74.8Confident108 Ų10864.7 Ų64.751%0.50534%0.335SS..PPolyproline II helixtrans-91.5158.4-171.2-68.5-178.1168.800114.1T439 E440 L520T439-E522 CarbonylContact C-O 3.48Å; E440-E522 WeakPolarHBondContact CA-O 3.41Å; E440-E522 PolarHBondContact N-O 2.98Å; L520-E522 HydrophobicContact CB-CG 4.24Å; L520-E522 HydrophobicContact CD2-CG 3.76Å; L520-E522 HydrophobicContact CG-CG 3.74Å; L520-E522 PolarHBondContact O-N 3.32Å
523K49.3Very low74.2Confident165 Ų16567.1 Ų67.172%0.71734%0.338SS*.PPolyproline II helixtrans-82.1136.9177-168.6177.8-178.6179.30110.5T493 T525T493-K523 HydrophobicContact CG2-CB 4.1Å; K523-T525 PolarHBondContact O-N 3.23Å
524W41.7Very low73.3Confident166 Ų16670.7 Ų70.763%0.62936%0.357SS*.PPolyproline II helixtrans-56122.2-170.1-167.4-3.3000114.2
525T49.6Very low72.9Confident125 Ų12564.9 Ų64.977%0.76733%0.326SS*.  trans-128.6155.3156.535.70000110K523K523-T525 PolarHBondContact O-N 3.23Å
526M47.6Very low72.5Confident133 Ų13366 Ų6666%0.65532%0.322SS*.  trans-32.9121.5-167.4-72.5-67.1-70.500113.8E528M526-E528 PolarHBondContact O-N 3.06Å
527P58.5Low72.2Confident22 Ų2267.7 Ų67.714%0.14333%0.331CS..  trans-85.2115.1-164.831.9-32000112.3Y554 Q557P527-Y554 HydrophobicContact CB-CE1 3.92Å; P527-Y554 HydrophobicContact CG-CE1 4.36Å; P527-Y554 WeakPolarHBondContact CG-OH 3.29Å; P527-Q557 HydrophobicContact CG-CG 4.2Å
528E68Low71.7Confident97 Ų9766.4 Ų66.445%0.45332%0.319SS..PPolyproline II helixtrans-55.4162.3161.7-65.1173.2171.100111M526 A610M526-E528 PolarHBondContact O-N 3.06Å; E528-A610 HydrophobicContact CG-CB 4.49Å
529P75.8Confident71.1Confident4 Ų470.8 Ų70.83%0.02634%0.335CS..PPolyproline II helixtrans-61.4150.6176.9-14.728.4000111.2V560 A606 N608 G613P529-V560 HydrophobicContact CB-CG2 4.05Å; P529-V560 HydrophobicContact CG-CG2 4.39Å; P529-A606 HydrophobicContact CB-CB 3.73Å; P529-A606 HydrophobicContact CG-CB 4.23Å; P529-N608 WeakPolarHBondContact CD-ND2 3.25Å; P529-N608 WeakPolarHBondContact CD-OD1 2.96Å; P529-N608 HydrophobicContact CG-CB 3.61Å; P529-N608 WeakPolarHBondContact CG-ND2 3.39Å; P529-G613 WeakPolarHBondContact O-CA 3.1Å
530G72.7Confident70.5Confident9 Ų972.3 Ų72.39%0.09335%0.345CS..PPolyproline II helixtrans-60.5169.9165.900000111.7P552 Y554G530-P552 VanDerWaalsContact O-CB 3.22Å; G530-P552 WeakPolarHBondContact O-CB 3.31Å; G530-P552 WeakPolarHBondContact O-CG 3.49Å; G530-Y554 PolarHBondContact N-O 3.27Å
531C77.3Confident69.9Low14 Ų1474.7 Ų74.710%0.09535%0.351CS..PPolyproline II helixtrans-77.5139.8177.457.80000111.9L436 R614L436-C531 WeakPolarHBondContact CD2-SG 3.49Å; C531-R614 VanDerWaalsContact CA-O 3.3Å; C531-R614 WeakPolarHBondContact CA-O 3.38Å; C531-R614 HydrophobicContact CB-CB 4.43Å; C531-R614 WeakPolarHBondContact CB-O 3.45Å
532P83Confident69.6Low2 Ų277.4 Ų77.41%0.01337%0.365CS..PPolyproline II helixtrans-56.5150.6163.9-24.334.9000111.8W549 A550 P552 Y563 V604 A606 S616P532-W549 HydrophobicContact CB-CG 4.36Å; P532-A550 WeakPolarHBondContact CA-O 3.45Å; P532-A550 WeakPolarHBondContact CB-O 3.2Å; P532-P552 HydrophobicContact CG-CG 4.22Å; P532-Y563 HydrophobicContact CG-CD1 3.82Å; P532-Y563 HydrophobicContact CG-CE1 3.91Å; P532-V604 HydrophobicContact CB-CB 4.49Å; P532-V604 HydrophobicContact CB-CG1 4.48Å; P532-V604 WeakPolarHBondContact CD-O 3.18Å; P532-V604 HydrophobicContact CG-CB 4.44Å; P532-V604 HydrophobicContact CG-CG1 4.14Å; P532-A606 HydrophobicContact CG-CB 4Å; P532-S616 WeakPolarHBondContact O-CB 3.49Å
533Y78.1Confident70Confident98 Ų9876 Ų7638%0.38436%0.361SS..EExtended strand (participates in β ladder)trans-131.8171.7-177.566.6-87.2000112.4L535 A550 S551 L553Y533-L535 PolarHBondContact O-N 2.79Å; Y533-A550 HydrophobicContact CD1-CB 4.03Å; Y533-A550 HydrophobicContact CD2-CB 3.8Å; Y533-A550 HydrophobicContact CE1-CB 3.76Å; Y533-A550 HydrophobicContact CE2-CB 3.48Å; Y533-A550 VanDerWaalsContact CE2-CB 3.48Å; Y533-A550 HydrophobicContact CG-CB 4.04Å; Y533-A550 VanDerWaalsContact CZ-CB 3.45Å; Y533-A550 PolarHBondContact N-O 3.18Å; Y533-A550 VanDerWaalsContact N-O 3.16Å; Y533-A550 PolarHBondContact O-N 2.52Å; Y533-S551 WeakPolarHBondContact CD1-O 3.4Å; Y533-S551 WeakPolarHBondContact CE1-O 3.29Å; Y533-L553 HydrophobicContact CD1-CG 4.43Å; Y533-L553 HydrophobicContact CE1-CD1 4.34Å; Y533-L553 HydrophobicContact CE1-CD2 3.88Å; Y533-L553 HydrophobicContact CE1-CG 3.68Å
534D75.4Confident71.5Confident84 Ų8468.4 Ų68.445%0.44933%0.328SS..EExtended strand (participates in β ladder)trans54.746.1179.5-132.836.6000114.1K484 E536K484-D534 IonicContact NZ-OD1 2.98Å; K484-D534 PolarHBondContact NZ-OD1 2.96Å; D534-E536 PolarHBondContact O-N 3.16Å
535L82.6Confident73.7Confident30 Ų3060.5 Ų60.516%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-68.2112.3177.4-179.263.1000111Y533 L547 R548 W549 F602 V604Y533-L535 PolarHBondContact O-N 2.79Å; L535-L547 HydrophobicContact CD1-CB 4.24Å; L535-L547 HydrophobicContact CD1-CD2 4.29Å; L535-R548 CarbonylContact C-O 3.57Å; L535-R548 WeakPolarHBondContact CA-O 3.4Å; L535-W549 HydrophobicContact CD1-CB 4.13Å; L535-W549 HydrophobicContact CD1-CE3 4.05Å; L535-F602 HydrophobicContact CD2-CB 4.45Å; L535-F602 WeakPolarHBondContact CD2-O 3.43Å; L535-V604 HydrophobicContact CD1-CG2 3.86Å; L535-V604 HydrophobicContact CD2-CG2 4.32Å
536E81Confident75.2Confident71 Ų7155.2 Ų55.233%0.33227%0.266SS..EExtended strand (participates in β ladder)trans-108.6147.5177.5-63.6-168.7170.700112.4D534 R538 L547 R548D534-E536 PolarHBondContact O-N 3.16Å; E536-R538 IonicContact OE1-NH2 2.76Å; E536-R538 IonicContact OE2-CZ 2.83Å; E536-R538 VanDerWaalsContact OE2-CZ 3.3Å; E536-R538 IonicContact OE2-NE 2.72Å; E536-R538 PolarHBondContact OE2-NE 2.95Å; E536-R538 IonicContact OE2-NH2 2.69Å; E536-R538 PolarHBondContact OE2-NH2 3.24Å; E536-L547 WeakPolarHBondContact O-CA 3.42Å; E536-R548 PolarHBondContact N-O 3.42Å; E536-R548 PolarHBondContact O-N 2.93Å
537L82.6Confident77.1Confident46 Ų4648.9 Ų48.924%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-105.7125.7171.7-69.1151.2000109L545 L547 F602 V622L537-L545 HydrophobicContact CD2-CD1 3.7Å; L537-L545 HydrophobicContact CD2-CD2 3.91Å; L537-L545 HydrophobicContact CD2-CG 4.39Å; L537-L547 HydrophobicContact CD2-CD2 3.42Å; L537-L547 VanDerWaalsContact CD2-CD2 3.42Å; L537-L547 HydrophobicContact CG-CD2 4.21Å; L537-F602 HydrophobicContact CD2-CD2 3.75Å; L537-F602 HydrophobicContact CD2-CE2 4.02Å; L537-V622 HydrophobicContact CD1-CB 4.14Å; L537-V622 HydrophobicContact CD1-CG1 4.19Å; L537-V622 HydrophobicContact CD2-CG1 4.12Å
538R74.6Confident78.1Confident123 Ų12354.5 Ų54.546%0.46425%0.253SS..EExtended strand (participates in β ladder)trans-130.4161.2179.3-61.7-66.7-176160.8-1.5110.2E536 V540 V546E536-R538 IonicContact OE1-NH2 2.76Å; E536-R538 IonicContact OE2-CZ 2.83Å; E536-R538 VanDerWaalsContact OE2-CZ 3.3Å; E536-R538 IonicContact OE2-NE 2.72Å; E536-R538 PolarHBondContact OE2-NE 2.95Å; E536-R538 IonicContact OE2-NH2 2.69Å; E536-R538 PolarHBondContact OE2-NH2 3.24Å; R538-V540 VanDerWaalsContact C-N 3.32Å; R538-V540 PolarHBondContact O-N 3.07Å; R538-V546 HydrophobicContact CB-CB 4.41Å; R538-V546 PolarHBondContact N-O 2.87Å; R538-V546 PolarHBondContact O-N 3.06Å
539E71.8Confident79.1Confident121 Ų12150.6 Ų50.657%0.56523%0.234SC*.SBendtrans51.844.6172.7-59.4176.2-156.800114.2R541 V546E539-R541 PolarHBondContact O-N 2.95Å; E539-R541 VanDerWaalsContact O-N 3.09Å; E539-V546 HydrophobicContact CB-CB 4.48Å; E539-V546 HydrophobicContact CB-CG2 4.07Å; E539-V546 HydrophobicContact CG-CG2 4.46Å
540V74.1Confident79.2Confident46 Ų4651.6 Ų51.628%0.27924%0.243SC..  trans-69.9107.3-179.2-174.60000109.6R538 L545 V622 V624R538-V540 VanDerWaalsContact C-N 3.32Å; R538-V540 PolarHBondContact O-N 3.07Å; V540-L545 HydrophobicContact CB-CB 4.5Å; V540-L545 HydrophobicContact CG2-CB 4.19Å; V540-V622 HydrophobicContact CG1-CG2 3.81Å; V540-V622 HydrophobicContact CG2-CG2 4.09Å; V540-V624 HydrophobicContact CG1-CG2 4.47Å
541R71.1Confident79.5Confident105 Ų10553.4 Ų53.440%0.39625%0.254SS..  trans-102.4-178.7172.3-59.3-172.8-175.5-146.9-2.3109.7E539 D543 S544 V624 E632E539-R541 PolarHBondContact O-N 2.95Å; E539-R541 VanDerWaalsContact O-N 3.09Å; R541-D543 VanDerWaalsContact C-N 3.28Å; R541-D543 PolarHBondContact O-N 3.42Å; R541-S544 WeakPolarHBondContact CA-O 3.38Å; R541-S544 PolarHBondContact N-O 2.99Å; R541-V624 WeakPolarHBondContact O-CG1 3.39Å; R541-E632 IonicContact CZ-OE1 3.85Å; R541-E632 IonicContact NH2-OE1 2.71Å; R541-E632 PolarHBondContact NH2-OE1 2.85Å
542D75.1Confident79.5Confident57 Ų5752.9 Ų52.931%0.30525%0.251SS..SBendtrans-77.1-11.5-17966-27.1000114.7T596 V624 Q625 T626D542-T596 HydrophobicContact CB-CG2 4.23Å; D542-T596 PolarHBondContact O-N 3.09Å; D542-T596 PolarHBondContact O-OG1 3.47Å; D542-V624 WeakPolarHBondContact O-CG1 3.48Å; D542-Q625 WeakPolarHBondContact CB-O 3.33Å; D542-T626 HydrophobicContact CB-CG2 4.45Å
543D80.3Confident78.6Confident79 Ų7958 Ų5842%0.42228%0.277SS..SBendtrans-133.1-5.217977.4-16.3000114.4R541 T592 G593 L594R541-D543 VanDerWaalsContact C-N 3.28Å; R541-D543 PolarHBondContact O-N 3.42Å; D543-T592 CarbonylContact O-C 3.5Å; D543-G593 PolarHBondContact O-N 2.74Å; D543-L594 WeakPolarHBondContact CA-O 3.23Å; D543-L594 PolarHBondContact O-N 2.84Å
544S79.9Confident77.9Confident4 Ų457.3 Ų57.33%0.02828%0.275CS..EExtended strand (participates in β ladder)trans-159.6160-169.454.80000113.5R541 V591R541-S544 WeakPolarHBondContact CA-O 3.38Å; R541-S544 PolarHBondContact N-O 2.99Å; S544-V591 CarbonylContact C-O 3.55Å; S544-V591 WeakPolarHBondContact CA-O 3.45Å; S544-V591 WeakPolarHBondContact CB-O 3.48Å
545L88.3Confident77.3Confident1 Ų157.4 Ų57.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-155.6167171.761.680.2000111L537 V540 L547 K590 V591 L594 F602 V622L537-L545 HydrophobicContact CD2-CD1 3.7Å; L537-L545 HydrophobicContact CD2-CD2 3.91Å; L537-L545 HydrophobicContact CD2-CG 4.39Å; V540-L545 HydrophobicContact CB-CB 4.5Å; V540-L545 HydrophobicContact CG2-CB 4.19Å; L545-L547 HydrophobicContact CD1-CD2 3.79Å; L545-L547 HydrophobicContact CD1-CG 3.82Å; L545-K590 CarbonylContact O-C 3.6Å; L545-K590 WeakPolarHBondContact O-CA 3.12Å; L545-V591 HydrophobicContact CD1-CB 4.06Å; L545-V591 HydrophobicContact CD1-CG2 3.93Å; L545-V591 HydrophobicContact CG-CB 4.29Å; L545-V591 PolarHBondContact N-O 3.08Å; L545-V591 PolarHBondContact O-N 3.3Å; L545-L594 HydrophobicContact CB-CD1 4.49Å; L545-L594 HydrophobicContact CD2-CD1 3.54Å; L545-L594 HydrophobicContact CG-CD1 3.69Å; L545-F602 HydrophobicContact CD1-CE2 4.19Å; L545-F602 HydrophobicContact CD1-CZ 4.18Å; L545-F602 HydrophobicContact CD2-CE2 3.63Å; L545-F602 HydrophobicContact CD2-CZ 3.81Å; L545-F602 HydrophobicContact CG-CE2 4.45Å; L545-F602 HydrophobicContact CG-CZ 4.34Å; L545-V622 HydrophobicContact CD2-CG1 3.83Å
546V81.8Confident76.4Confident13 Ų1357 Ų578%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-113.6125.5177.3179.90000110.2R538 E539 R548 K590R538-V546 HydrophobicContact CB-CB 4.41Å; R538-V546 PolarHBondContact N-O 2.87Å; R538-V546 PolarHBondContact O-N 3.06Å; E539-V546 HydrophobicContact CB-CB 4.48Å; E539-V546 HydrophobicContact CB-CG2 4.07Å; E539-V546 HydrophobicContact CG-CG2 4.46Å; V546-R548 HydrophobicContact CG1-CG 4.27Å; V546-K590 HydrophobicContact CG2-CB 4.19Å; V546-K590 HydrophobicContact CG2-CD 4.48Å; V546-K590 HydrophobicContact CG2-CG 4.09Å
547L86.4Confident75.4Confident0 Ų059.5 Ų59.50%029%0.287CS..EExtended strand (participates in β ladder)trans-91.9138.4170.8-61.9172000109.4L535 E536 L537 L545 W549 L565 H588 F589 V591 F602L535-L547 HydrophobicContact CD1-CB 4.24Å; L535-L547 HydrophobicContact CD1-CD2 4.29Å; E536-L547 WeakPolarHBondContact O-CA 3.42Å; L537-L547 HydrophobicContact CD2-CD2 3.42Å; L537-L547 VanDerWaalsContact CD2-CD2 3.42Å; L537-L547 HydrophobicContact CG-CD2 4.21Å; L545-L547 HydrophobicContact CD1-CD2 3.79Å; L545-L547 HydrophobicContact CD1-CG 3.82Å; L547-W549 HydrophobicContact CB-CE3 4.24Å; L547-W549 HydrophobicContact CB-CZ3 3.94Å; L547-L565 HydrophobicContact CD1-CD2 3.52Å; L547-H588 CarbonylContact O-C 3.53Å; L547-H588 WeakPolarHBondContact O-CA 3.23Å; L547-H588 VanDerWaalsContact O-CB 3.29Å; L547-H588 WeakPolarHBondContact O-CB 3.2Å; L547-F589 PolarHBondContact N-O 3.31Å; L547-F589 PolarHBondContact O-N 3.25Å; L547-V591 HydrophobicContact CD1-CG2 3.64Å; L547-V591 HydrophobicContact CG-CG2 4.04Å; L547-F602 HydrophobicContact CD1-CB 3.92Å; L547-F602 HydrophobicContact CD1-CD1 3.74Å; L547-F602 HydrophobicContact CD1-CE1 4.49Å; L547-F602 HydrophobicContact CD1-CG 3.9Å; L547-F602 HydrophobicContact CD2-CB 3.73Å; L547-F602 HydrophobicContact CD2-CD1 4.3Å; L547-F602 HydrophobicContact CD2-CD2 3.93Å; L547-F602 HydrophobicContact CD2-CG 3.71Å; L547-F602 HydrophobicContact CG-CG 4.4Å
548R81.2Confident74.5Confident141 Ų14159 Ų5953%0.53229%0.287SS..EExtended strand (participates in β ladder)trans-133.6141.2170.6-57.9-173.682.3178.86.5109.7L535 E536 V546 T587 H588L535-R548 CarbonylContact C-O 3.57Å; L535-R548 WeakPolarHBondContact CA-O 3.4Å; E536-R548 PolarHBondContact N-O 3.42Å; E536-R548 PolarHBondContact O-N 2.93Å; V546-R548 HydrophobicContact CG1-CG 4.27Å; R548-T587 WeakPolarHBondContact CA-O 3.41Å; R548-H588 HydrophobicContact CB-CB 4.47Å; R548-H588 HydrophobicContact CG-CB 3.89Å
549W88.7Confident74.4Confident14 Ų1457.3 Ų57.35%0.05329%0.292CS..EExtended strand (participates in β ladder)trans-145.3169.3178.458.591.1000111.6P532 L535 L547 Y563 L565 E586 T587 F589 V604P532-W549 HydrophobicContact CB-CG 4.36Å; L535-W549 HydrophobicContact CD1-CB 4.13Å; L535-W549 HydrophobicContact CD1-CE3 4.05Å; L547-W549 HydrophobicContact CB-CE3 4.24Å; L547-W549 HydrophobicContact CB-CZ3 3.94Å; W549-Y563 AromaticContact CE2-CG 3.83Å; W549-Y563 HydrophobicContact CZ2-CD1 4.48Å; W549-Y563 AromaticContact CZ2-CD2 3.9Å; W549-Y563 HydrophobicContact CZ2-CD2 3.9Å; W549-Y563 AromaticContact CZ2-CG 3.75Å; W549-Y563 HydrophobicContact CZ2-CG 3.75Å; W549-Y563 AromaticContact NE1-CD1 3.29Å; W549-Y563 VanDerWaalsContact NE1-CD1 3.29Å; W549-Y563 AromaticContact NE1-CD2 3.61Å; W549-Y563 AromaticContact NE1-CE1 3.52Å; W549-Y563 AromaticContact NE1-CE2 3.85Å; W549-Y563 AromaticContact NE1-CG 3.35Å; W549-Y563 AromaticContact NE1-CZ 3.82Å; W549-L565 HydrophobicContact CH2-CD1 3.99Å; W549-L565 HydrophobicContact CH2-CD2 3.77Å; W549-L565 HydrophobicContact CH2-CG 4.19Å; W549-L565 HydrophobicContact CZ3-CD2 3.72Å; W549-E586 WeakPolarHBondContact CZ2-O 3.39Å; W549-T587 PolarHBondContact N-O 3.33Å; W549-T587 VanDerWaalsContact O-CB 3.31Å; W549-T587 WeakPolarHBondContact O-CB 3.16Å; W549-F589 HydrophobicContact CH2-CB 3.87Å; W549-F589 HydrophobicContact CZ3-CB 3.98Å; W549-V604 HydrophobicContact CD2-CB 4.38Å; W549-V604 HydrophobicContact CD2-CG1 3.98Å; W549-V604 HydrophobicContact CD2-CG2 4.02Å; W549-V604 HydrophobicContact CE3-CG1 4.48Å; W549-V604 HydrophobicContact CE3-CG2 3.84Å; W549-V604 HydrophobicContact CG-CG1 4.37Å; W549-V604 HydrophobicContact CH2-CG1 4.49Å; W549-V604 HydrophobicContact CZ2-CG1 3.97Å; W549-V604 HydrophobicContact CZ3-CG2 4.19Å
550A78.4Confident74.9Confident25 Ų2552.9 Ų52.921%0.20727%0.274CS..EExtended strand (participates in β ladder)trans-97.2145.2169.100000110.8P532 Y533P532-A550 WeakPolarHBondContact CA-O 3.45Å; P532-A550 WeakPolarHBondContact CB-O 3.2Å; Y533-A550 HydrophobicContact CD1-CB 4.03Å; Y533-A550 HydrophobicContact CD2-CB 3.8Å; Y533-A550 HydrophobicContact CE1-CB 3.76Å; Y533-A550 HydrophobicContact CE2-CB 3.48Å; Y533-A550 VanDerWaalsContact CE2-CB 3.48Å; Y533-A550 HydrophobicContact CG-CB 4.04Å; Y533-A550 VanDerWaalsContact CZ-CB 3.45Å; Y533-A550 PolarHBondContact N-O 3.18Å; Y533-A550 VanDerWaalsContact N-O 3.16Å; Y533-A550 PolarHBondContact O-N 2.52Å
551S78.8Confident75.2Confident47 Ų4754 Ų5433%0.32928%0.284SS..PPolyproline II helixtrans-63.1151.9175.357.40000111.3Y533 Y563Y533-S551 WeakPolarHBondContact CD1-O 3.4Å; Y533-S551 WeakPolarHBondContact CE1-O 3.29Å; S551-Y563 WeakPolarHBondContact CA-OH 3.47Å; S551-Y563 WeakPolarHBondContact CB-OH 3.27Å
552P76Confident75.9Confident4 Ų449.1 Ų49.13%0.02627%0.266CS..PPolyproline II helixtrans-57.9140.5175.5-19.928.2000111.7G530 P532 Y554 V560 A606G530-P552 VanDerWaalsContact O-CB 3.22Å; G530-P552 WeakPolarHBondContact O-CB 3.31Å; G530-P552 WeakPolarHBondContact O-CG 3.49Å; P532-P552 HydrophobicContact CG-CG 4.22Å; P552-Y554 PolarHBondContact O-N 3.43Å; P552-V560 HydrophobicContact CG-CG2 4.36Å; P552-A606 HydrophobicContact CG-CB 3.34Å
553L63.8Low76.7Confident109 Ų10947 Ų4757%0.57125%0.254SS*.SBendtrans-69.7-16.4174.6-65173.5000113.3Y533Y533-L553 HydrophobicContact CD1-CG 4.43Å; Y533-L553 HydrophobicContact CE1-CD1 4.34Å; Y533-L553 HydrophobicContact CE1-CD2 3.88Å; Y533-L553 HydrophobicContact CE1-CG 3.68Å
554Y64.6Low77.2Confident83 Ų8344.7 Ų44.733%0.32524%0.241SC..  trans-126.8109.1178-180-102000108.6L437 P527 G530 P552 G556L437-Y554 HydrophobicContact CD1-CD1 3.59Å; L437-Y554 HydrophobicContact CD1-CE1 3.9Å; L437-Y554 HydrophobicContact CD1-CG 4.02Å; P527-Y554 HydrophobicContact CB-CE1 3.92Å; P527-Y554 HydrophobicContact CG-CE1 4.36Å; P527-Y554 WeakPolarHBondContact CG-OH 3.29Å; G530-Y554 PolarHBondContact N-O 3.27Å; P552-Y554 PolarHBondContact O-N 3.43Å; Y554-G556 VanDerWaalsContact C-N 3.32Å; Y554-G556 VanDerWaalsContact CE1-CA 3.48Å
555E62.4Low77.8Confident86 Ų8644.5 Ų44.540%0.40224%0.239SC..  trans-84.8-6.3-178-59.1-167.7161.200113V560 N608E555-V560 HydrophobicContact CB-CG2 4.06Å; E555-V560 HydrophobicContact CG-CG2 3.96Å; E555-N608 PolarHBondContact O-ND2 2.85Å
556G63.9Low78Confident22 Ų2245.8 Ų45.823%0.22725%0.246CC..THydrogen-bonded Turntrans86-156.5-171.700000112.5Y554 S558Y554-G556 VanDerWaalsContact C-N 3.32Å; Y554-G556 VanDerWaalsContact CE1-CA 3.48Å; G556-S558 VanDerWaalsContact C-N 3.31Å
557Q60Low78.4Confident123 Ų12346.8 Ų46.858%0.57525%0.25SC*.THydrogen-bonded Turntrans-882.1173.5-66.2-174.517.800113.2P527P527-Q557 HydrophobicContact CG-CG 4.2Å
558S63.3Low78.5Confident35 Ų3546.9 Ų46.925%0.24525%0.25CS..SBendtrans-142.5138.3177.9-67.50000108.8G556 N608G556-S558 VanDerWaalsContact C-N 3.31Å; S558-N608 WeakPolarHBondContact O-CB 3.38Å; S558-N608 PolarHBondContact O-ND2 2.76Å
559P73.3Confident78.5Confident88 Ų8845.3 Ų45.357%0.57125%0.249SC*.  trans-60152.3-175.725.4-34.2000111.4S561 N608P559-S561 PolarHBondContact O-N 2.89Å; P559-S561 VanDerWaalsContact O-N 3.16Å; P559-N608 WeakPolarHBondContact O-CB 3.37Å
560V81.8Confident77.5Confident29 Ų2945.8 Ų45.818%0.17626%0.258CS..  trans-62.5117.6175.2175.40000108.7P529 P552 E555 G562 Y563 A606 V607P529-V560 HydrophobicContact CB-CG2 4.05Å; P529-V560 HydrophobicContact CG-CG2 4.39Å; P552-V560 HydrophobicContact CG-CG2 4.36Å; E555-V560 HydrophobicContact CB-CG2 4.06Å; E555-V560 HydrophobicContact CG-CG2 3.96Å; V560-G562 WeakPolarHBondContact CG1-O 3.39Å; V560-Y563 HydrophobicContact CG1-CE1 4.06Å; V560-Y563 HydrophobicContact CG1-CE2 4.37Å; V560-A606 HydrophobicContact CG1-CB 3.98Å; V560-A606 HydrophobicContact CG2-CB 4.14Å; V560-V607 CarbonylContact C-O 3.51Å; V560-V607 VanDerWaalsContact CA-O 3.31Å; V560-V607 WeakPolarHBondContact CA-O 3.17Å; V560-V607 WeakPolarHBondContact CG1-O 3.27Å
561S79.6Confident76.6Confident70 Ų7050.6 Ų50.649%0.4928%0.28SS..  trans-85.7-13.2178.459.10000113P559 V607P559-S561 PolarHBondContact O-N 2.89Å; P559-S561 VanDerWaalsContact O-N 3.16Å; S561-V607 PolarHBondContact N-O 3.47Å; S561-V607 PolarHBondContact OG-O 3.19Å; S561-V607 VanDerWaalsContact OG-O 3.12Å
562G85.6Confident75.7Confident2 Ų253.4 Ų53.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans162.9-168.8170.700000113.3V560 V584 V607V560-G562 WeakPolarHBondContact CG1-O 3.39Å; G562-V584 CarbonylContact C-O 3.59Å; G562-V584 WeakPolarHBondContact CA-O 3.36Å; G562-V607 PolarHBondContact N-O 3.29Å; G562-V607 PolarHBondContact O-N 3.32Å
563Y92.1Very high74.9Confident13 Ų1355.1 Ų55.15%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-127.1131-173.9-60.1-79.6000111.7P532 W549 S551 V560 P583 V584 E586 T587 V604 S605 A606P532-Y563 HydrophobicContact CG-CD1 3.82Å; P532-Y563 HydrophobicContact CG-CE1 3.91Å; W549-Y563 AromaticContact CE2-CG 3.83Å; W549-Y563 HydrophobicContact CZ2-CD1 4.48Å; W549-Y563 AromaticContact CZ2-CD2 3.9Å; W549-Y563 HydrophobicContact CZ2-CD2 3.9Å; W549-Y563 AromaticContact CZ2-CG 3.75Å; W549-Y563 HydrophobicContact CZ2-CG 3.75Å; W549-Y563 AromaticContact NE1-CD1 3.29Å; W549-Y563 VanDerWaalsContact NE1-CD1 3.29Å; W549-Y563 AromaticContact NE1-CD2 3.61Å; W549-Y563 AromaticContact NE1-CE1 3.52Å; W549-Y563 AromaticContact NE1-CE2 3.85Å; W549-Y563 AromaticContact NE1-CG 3.35Å; W549-Y563 AromaticContact NE1-CZ 3.82Å; S551-Y563 WeakPolarHBondContact CA-OH 3.47Å; S551-Y563 WeakPolarHBondContact CB-OH 3.27Å; V560-Y563 HydrophobicContact CG1-CE1 4.06Å; V560-Y563 HydrophobicContact CG1-CE2 4.37Å; Y563-P583 CarbonylContact O-C 3.58Å; Y563-P583 VanDerWaalsContact O-CA 3.31Å; Y563-P583 WeakPolarHBondContact O-CA 3.22Å; Y563-V584 VanDerWaalsContact CD2-O 3.3Å; Y563-V584 WeakPolarHBondContact CD2-O 3.3Å; Y563-V584 PolarHBondContact N-O 2.73Å; Y563-V584 PolarHBondContact O-N 2.96Å; Y563-E586 WeakPolarHBondContact CD2-O 3.25Å; Y563-T587 HydrophobicContact CE2-CG2 3.89Å; Y563-V604 HydrophobicContact CD1-CG1 4.08Å; Y563-V604 HydrophobicContact CG-CG1 4.28Å; Y563-S605 CarbonylContact C-O 3.58Å; Y563-S605 VanDerWaalsContact CA-O 3.28Å; Y563-S605 WeakPolarHBondContact CA-O 3.29Å; Y563-A606 HydrophobicContact CD1-CB 4.04Å; Y563-A606 HydrophobicContact CE1-CB 3.9Å
564M90.9Very high74.9Confident29 Ų2957.6 Ų57.614%0.14331%0.314CS..EExtended strand (participates in β ladder)trans-97.6127.6173.2-69.7-67.3-7100109.5I578 T580 P583 V604 S605 V607 V612M564-I578 HydrophobicContact CE-CD1 4.34Å; M564-I578 HydrophobicContact CE-CG2 3.59Å; M564-T580 WeakPolarHBondContact CE-O 3.19Å; M564-P583 HydrophobicContact CG-CB 4.49Å; M564-P583 HydrophobicContact CG-CG 4.23Å; M564-P583 HydrophobicContact SD-CB 4.25Å; M564-P583 HydrophobicContact SD-CG 3.82Å; M564-V604 WeakPolarHBondContact O-CA 3.33Å; M564-S605 PolarHBondContact N-O 2.85Å; M564-S605 PolarHBondContact O-N 3.35Å; M564-V607 HydrophobicContact CB-CG2 4.33Å; M564-V607 HydrophobicContact CG-CG2 3.5Å; M564-V612 HydrophobicContact CG-CG2 4.42Å
565L92.9Very high75.5Confident0 Ų059.8 Ų59.80%033%0.332CS..EExtended strand (participates in β ladder)trans-104.7138.3-179.5-66.396.5000111L547 W549 I578 L579 T580 V584 F589 V604L547-L565 HydrophobicContact CD1-CD2 3.52Å; W549-L565 HydrophobicContact CH2-CD1 3.99Å; W549-L565 HydrophobicContact CH2-CD2 3.77Å; W549-L565 HydrophobicContact CH2-CG 4.19Å; W549-L565 HydrophobicContact CZ3-CD2 3.72Å; L565-I578 WeakPolarHBondContact O-CA 3.18Å; L565-L579 HydrophobicContact CB-CB 4.16Å; L565-L579 HydrophobicContact CB-CD1 4.18Å; L565-L579 PolarHBondContact O-N 3.25Å; L565-T580 HydrophobicContact CB-CG2 4.26Å; L565-T580 HydrophobicContact CD1-CG2 3.74Å; L565-T580 PolarHBondContact N-OG1 2.99Å; L565-V584 HydrophobicContact CD1-CB 4.25Å; L565-V584 HydrophobicContact CD1-CG2 3.71Å; L565-F589 HydrophobicContact CD1-CB 4.26Å; L565-F589 HydrophobicContact CD1-CD2 4.46Å; L565-F589 HydrophobicContact CD1-CG 4.18Å; L565-F589 HydrophobicContact CD2-CB 3.57Å; L565-F589 HydrophobicContact CD2-CD1 3.81Å; L565-F589 HydrophobicContact CD2-CG 3.86Å; L565-V604 HydrophobicContact CD2-CG2 4.16Å; L565-V604 HydrophobicContact CG-CG1 4.42Å; L565-V604 HydrophobicContact CG-CG2 4.16Å
566E92.5Very high76.6Confident29 Ų2958 Ų5814%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-128.6146.7177.8-65.7172.4104.800110.6W576 T577 I578 F602 R603E566-W576 HydrophobicContact CB-CB 4.26Å; E566-W576 HydrophobicContact CB-CE3 3.97Å; E566-T577 CarbonylContact C-O 3.48Å; E566-T577 VanDerWaalsContact CA-O 3.28Å; E566-T577 WeakPolarHBondContact CA-O 3.38Å; E566-I578 HydrophobicContact CG-CG1 4.07Å; E566-F602 CarbonylContact O-C 3.58Å; E566-F602 WeakPolarHBondContact O-CA 3.49Å; E566-R603 HydrophobicContact CB-CG 3.91Å; E566-R603 VanDerWaalsContact CD-NH2 3.29Å; E566-R603 PolarHBondContact N-O 3.33Å; E566-R603 PolarHBondContact O-N 3.41Å; E566-R603 IonicContact OE1-CZ 3.37Å; E566-R603 IonicContact OE1-NE 2.74Å; E566-R603 IonicContact OE1-NH2 3.68Å; E566-R603 PolarHBondContact OE1-NH2 2.81Å; E566-R603 IonicContact OE2-CZ 3.87Å; E566-R603 VanDerWaalsContact OE2-CZ 3.26Å; E566-R603 IonicContact OE2-NE 2.88Å; E566-R603 PolarHBondContact OE2-NE 3.39Å; E566-R603 IonicContact OE2-NH2 3.79Å; E566-R603 PolarHBondContact OE2-NH2 3.45Å
567M90.8Very high77.6Confident34 Ų3461.3 Ų61.317%0.16734%0.337CS..EExtended strand (participates in β ladder)trans-129.6142.8178.4-178.5-178.770.800110.9T577 L579 L594 Y600 C601 F602M567-T577 PolarHBondContact N-O 3.02Å; M567-T577 PolarHBondContact O-N 2.78Å; M567-L579 HydrophobicContact CB-CD1 3.85Å; M567-L579 HydrophobicContact CB-CD2 3.81Å; M567-L579 HydrophobicContact CB-CG 3.78Å; M567-L579 HydrophobicContact CE-CD2 3.98Å; M567-L579 HydrophobicContact SD-CD2 4.12Å; M567-L594 HydrophobicContact CE-CD2 4.45Å; M567-L594 HydrophobicContact SD-CD2 3.64Å; M567-Y600 HydrophobicContact CE-CD1 3.97Å; M567-Y600 HydrophobicContact CE-CE1 3.95Å; M567-Y600 HydrophobicContact CG-CD1 3.91Å; M567-Y600 HydrophobicContact SD-CD1 3.37Å; M567-Y600 WeakPolarHBondContact SD-CD1 3.42Å; M567-Y600 HydrophobicContact SD-CE1 3.87Å; M567-Y600 HydrophobicContact SD-CG 4.04Å; M567-C601 CarbonylContact C-O 3.58Å; M567-C601 VanDerWaalsContact CA-O 3.29Å; M567-C601 WeakPolarHBondContact CA-O 3.39Å; M567-F602 HydrophobicContact CB-CD1 3.88Å; M567-F602 HydrophobicContact CB-CE1 3.85Å; M567-F602 HydrophobicContact CG-CD1 3.89Å; M567-F602 HydrophobicContact CG-CE1 3.47Å; M567-F602 VanDerWaalsContact CG-CE1 3.47Å; M567-F602 HydrophobicContact CG-CZ 4.01Å; M567-F602 HydrophobicContact SD-CD1 4.42Å; M567-F602 HydrophobicContact SD-CE1 3.46Å; M567-F602 WeakPolarHBondContact SD-CE1 3.44Å; M567-F602 HydrophobicContact SD-CZ 3.81Å
568S87.4Confident78.9Confident1 Ų160.3 Ų60.31%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-123.7139.1172.5-177.80000108.9S573 N575 Y600 C601S568-S573 PolarHBondContact OG-N 3.46Å; S568-S573 PolarHBondContact OG-O 2.96Å; S568-S573 PolarHBondContact OG-OG 3.04Å; S568-N575 PolarHBondContact OG-O 2.98Å; S568-Y600 CarbonylContact O-C 3.51Å; S568-Y600 WeakPolarHBondContact O-CA 3.26Å; S568-C601 PolarHBondContact N-O 3.36Å; S568-C601 PolarHBondContact O-N 3.24Å
569Q80.8Confident79.8Confident109 Ų10961.2 Ų61.251%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-92.2123.1177.3-165.6176.613.200109.3H598 Y600Q569-H598 PolarHBondContact NE2-CD2 3.4Å; Q569-Y600 HydrophobicContact CB-CD1 4.44Å; Q569-Y600 HydrophobicContact CB-CE1 4.42Å; Q569-Y600 HydrophobicContact CG-CD1 4.34Å; Q569-Y600 HydrophobicContact CG-CE1 4.03Å
570G68.6Low80.1Confident24 Ų2457.5 Ų57.525%0.24731%0.312CS..SBendtrans107.3-173.3-176.900000114.6Q572 T599G570-Q572 PolarHBondContact O-N 3.41Å; G570-T599 PolarHBondContact N-O 3.02Å
571N58.5Low79.7Confident125 Ų12561.2 Ų61.267%0.66835%0.346SS*.SBendtrans-79.346.5-173.6-69.1-14.7000113.6
572Q60.8Low79.8Confident107 Ų10765.9 Ų65.950%0.536%0.358SS..SBendtrans81.984.7-169.8-52.1169.4-0.300113.5G570G570-Q572 PolarHBondContact O-N 3.41Å
573S59.3Low79.8Confident40 Ų4068.5 Ų68.528%0.2837%0.374SS..  trans-92.6146.9163.787.60000110.2S568 N575S568-S573 PolarHBondContact OG-N 3.46Å; S568-S573 PolarHBondContact OG-O 2.96Å; S568-S573 PolarHBondContact OG-OG 3.04Å; S573-N575 PolarHBondContact O-N 2.98Å; S573-N575 PolarHBondContact OG-N 2.98Å; S573-N575 PolarHBondContact OG-O 2.97Å
574D62.8Low79.5Confident160 Ų16069.1 Ų69.186%0.85638%0.379SS*.SBendtrans-64.2-6173.5-72.9-29.6000113.4W576D574-W576 PolarHBondContact O-N 2.76Å
575N77.3Confident78.9Confident130 Ų13072.5 Ų72.570%0.69541%0.406SS*.  trans-90.892.6178.7-68.2-28.3000110.6S568 S573S568-N575 PolarHBondContact OG-O 2.98Å; S573-N575 PolarHBondContact O-N 2.98Å; S573-N575 PolarHBondContact OG-N 2.98Å; S573-N575 PolarHBondContact OG-O 2.97Å
576W86.1Confident78.3Confident47 Ų4777.4 Ų77.418%0.17843%0.429CS..  trans-92.9131.8175.5-66.688.8000111.1E566 D574 C601 R603 P618E566-W576 HydrophobicContact CB-CB 4.26Å; E566-W576 HydrophobicContact CB-CE3 3.97Å; D574-W576 PolarHBondContact O-N 2.76Å; W576-C601 HydrophobicContact CH2-CB 3.9Å; W576-C601 HydrophobicContact CZ3-CB 4.39Å; W576-C601 WeakPolarHBondContact CZ3-O 3.32Å; W576-R603 VanDerWaalsContact CD1-CZ 3.45Å; W576-R603 VanDerWaalsContact CD1-NH1 3.35Å; W576-R603 HydrophobicContact CD2-CG 4.2Å; W576-R603 HydrophobicContact CE3-CG 3.73Å; W576-R603 HydrophobicContact CH2-CB 4.25Å; W576-R603 HydrophobicContact CH2-CG 4.13Å; W576-R603 HydrophobicContact CZ3-CB 4.1Å; W576-R603 HydrophobicContact CZ3-CG 3.7Å; W576-P618 HydrophobicContact CH2-CB 3.86Å; W576-P618 HydrophobicContact CH2-CG 4.01Å; W576-P618 HydrophobicContact CZ2-CB 4.14Å; W576-P618 HydrophobicContact CZ2-CG 3.83Å
577T85Confident78Confident93 Ų9379 Ų7957%0.57144%0.441SS*.EExtended strand (participates in β ladder)trans-109.7128.4176.8-52.20000109.2E566 M567 L579E566-T577 CarbonylContact C-O 3.48Å; E566-T577 VanDerWaalsContact CA-O 3.28Å; E566-T577 WeakPolarHBondContact CA-O 3.38Å; M567-T577 PolarHBondContact N-O 3.02Å; M567-T577 PolarHBondContact O-N 2.78Å; T577-L579 PolarHBondContact O-N 3Å
578I86.4Confident77.7Confident101 Ų10181 Ų8152%0.51845%0.45SS..EExtended strand (participates in β ladder)trans-68.5123.2176.5-62.6171.8000109.3M564 L565 E566 T580M564-I578 HydrophobicContact CE-CD1 4.34Å; M564-I578 HydrophobicContact CE-CG2 3.59Å; L565-I578 WeakPolarHBondContact O-CA 3.18Å; E566-I578 HydrophobicContact CG-CG1 4.07Å; I578-T580 WeakPolarHBondContact CG2-O 3.36Å
579L83.3Confident77.6Confident54 Ų5483.6 Ų83.628%0.28346%0.461SS..  trans-81.4-30.5178.6-72.5174.4000112.6L565 M567 T577 V591 F602L565-L579 HydrophobicContact CB-CB 4.16Å; L565-L579 HydrophobicContact CB-CD1 4.18Å; L565-L579 PolarHBondContact O-N 3.25Å; M567-L579 HydrophobicContact CB-CD1 3.85Å; M567-L579 HydrophobicContact CB-CD2 3.81Å; M567-L579 HydrophobicContact CB-CG 3.78Å; M567-L579 HydrophobicContact CE-CD2 3.98Å; M567-L579 HydrophobicContact SD-CD2 4.12Å; T577-L579 PolarHBondContact O-N 3Å; L579-V591 HydrophobicContact CD1-CG1 4.32Å; L579-V591 HydrophobicContact CD1-CG2 3.96Å; L579-V591 HydrophobicContact CD2-CG1 4.39Å; L579-F602 HydrophobicContact CD1-CD1 3.87Å; L579-F602 HydrophobicContact CD1-CE1 3.99Å
580T79.9Confident77.9Confident10 Ų1083.3 Ų83.36%0.06146%0.458CS..  trans-117.6121.5-170.954.50000111.4M564 L565 I578 K582 V584 F589M564-T580 WeakPolarHBondContact CE-O 3.19Å; L565-T580 HydrophobicContact CB-CG2 4.26Å; L565-T580 HydrophobicContact CD1-CG2 3.74Å; L565-T580 PolarHBondContact N-OG1 2.99Å; I578-T580 WeakPolarHBondContact CG2-O 3.36Å; T580-K582 WeakPolarHBondContact CB-O 3.34Å; T580-K582 PolarHBondContact O-N 2.81Å; T580-V584 HydrophobicContact CG2-CG2 3.68Å; T580-F589 HydrophobicContact CG2-CD2 4.31Å; T580-F589 HydrophobicContact CG2-CE1 4.09Å; T580-F589 HydrophobicContact CG2-CE2 3.71Å; T580-F589 HydrophobicContact CG2-CZ 3.58Å
581A72.9Confident78.7Confident108 Ų10882.3 Ų82.389%0.89345%0.447SS*.SBendtrans-68.7-19.9178.400000113.7
582K81.2Confident79.9Confident168 Ų16881 Ų8173%0.7344%0.444SS*.SBendtrans-133.9151.6174.4-69-176.3173.3-179.80109.6T580 V584T580-K582 WeakPolarHBondContact CB-O 3.34Å; T580-K582 PolarHBondContact O-N 2.81Å; K582-V584 PolarHBondContact O-N 3.12Å
583P86.1Confident80.8Confident56 Ų5679.1 Ų79.136%0.36445%0.453SS..  trans-58.5134173.8-21.332.1000111.2Y563 M564 V607Y563-P583 CarbonylContact O-C 3.58Å; Y563-P583 VanDerWaalsContact O-CA 3.31Å; Y563-P583 WeakPolarHBondContact O-CA 3.22Å; M564-P583 HydrophobicContact CG-CB 4.49Å; M564-P583 HydrophobicContact CG-CG 4.23Å; M564-P583 HydrophobicContact SD-CB 4.25Å; M564-P583 HydrophobicContact SD-CG 3.82Å; P583-V607 HydrophobicContact CB-CB 4.4Å; P583-V607 HydrophobicContact CB-CG2 4.17Å; P583-V607 HydrophobicContact CG-CB 4.26Å; P583-V607 HydrophobicContact CG-CG1 4.3Å; P583-V607 HydrophobicContact CG-CG2 4.03Å
584V86.2Confident82Confident26 Ų2677.8 Ų77.816%0.15844%0.442CS..BIsolated β-bridgetrans-85.3133.4176.8-174.50000108.7G562 Y563 L565 T580 K582 E586 F589G562-V584 CarbonylContact C-O 3.59Å; G562-V584 WeakPolarHBondContact CA-O 3.36Å; Y563-V584 VanDerWaalsContact CD2-O 3.3Å; Y563-V584 WeakPolarHBondContact CD2-O 3.3Å; Y563-V584 PolarHBondContact N-O 2.73Å; Y563-V584 PolarHBondContact O-N 2.96Å; L565-V584 HydrophobicContact CD1-CB 4.25Å; L565-V584 HydrophobicContact CD1-CG2 3.71Å; T580-V584 HydrophobicContact CG2-CG2 3.68Å; K582-V584 PolarHBondContact O-N 3.12Å; V584-E586 HydrophobicContact CG1-CB 4.28Å; V584-F589 HydrophobicContact CG1-CD2 4.28Å; V584-F589 HydrophobicContact CG2-CD2 3.84Å; V584-F589 HydrophobicContact CG2-CE2 4.05Å
585S78.1Confident82.9Confident100 Ų10075.4 Ų75.470%0.69943%0.426SS*.SBendtrans-77.9-25.3-179.149.30000113.5
586E80.1Confident83Confident104 Ų10472.2 Ų72.249%0.48641%0.411SS..SBendtrans-82.6154.9-178-62175.1-17800111.9W549 Y563 V584 H588W549-E586 WeakPolarHBondContact CZ2-O 3.39Å; Y563-E586 WeakPolarHBondContact CD2-O 3.25Å; V584-E586 HydrophobicContact CG1-CB 4.28Å; E586-H588 PolarHBondContact O-N 3.37Å; E586-H588 IonicContact OE2-CE1 3.95Å; E586-H588 PolarHBondContact OE2-CE1 2.87Å; E586-H588 IonicContact OE2-ND1 2.64Å; E586-H588 IonicContact OE2-NE2 2.65Å; E586-H588 PolarHBondContact OE2-NE2 3.31Å
587T87.4Confident82.5Confident62 Ų6272.3 Ų72.338%0.3843%0.427SS..SBendtrans-90.324.1175.256.40000113.4R548 W549 Y563R548-T587 WeakPolarHBondContact CA-O 3.41Å; W549-T587 PolarHBondContact N-O 3.33Å; W549-T587 VanDerWaalsContact O-CB 3.31Å; W549-T587 WeakPolarHBondContact O-CB 3.16Å; Y563-T587 HydrophobicContact CE2-CG2 3.89Å
588H83.1Confident82.3Confident77 Ų7771.3 Ų71.336%0.35642%0.416SS..EExtended strand (participates in β ladder)trans-147156.9171.770.8-66.8000110.6L547 R548 E586L547-H588 CarbonylContact O-C 3.53Å; L547-H588 WeakPolarHBondContact O-CA 3.23Å; L547-H588 VanDerWaalsContact O-CB 3.29Å; L547-H588 WeakPolarHBondContact O-CB 3.2Å; R548-H588 HydrophobicContact CB-CB 4.47Å; R548-H588 HydrophobicContact CG-CB 3.89Å; E586-H588 PolarHBondContact O-N 3.37Å; E586-H588 IonicContact OE2-CE1 3.95Å; E586-H588 PolarHBondContact OE2-CE1 2.87Å; E586-H588 IonicContact OE2-ND1 2.64Å; E586-H588 IonicContact OE2-NE2 2.65Å; E586-H588 PolarHBondContact OE2-NE2 3.31Å
589F85.6Confident82.3Confident55 Ų5568 Ų6824%0.24140%0.4CS..EExtended strand (participates in β ladder)trans-155.6130.2179.3-173.8-100.3000112L547 W549 L565 T580 V584 V591L547-F589 PolarHBondContact N-O 3.31Å; L547-F589 PolarHBondContact O-N 3.25Å; W549-F589 HydrophobicContact CH2-CB 3.87Å; W549-F589 HydrophobicContact CZ3-CB 3.98Å; L565-F589 HydrophobicContact CD1-CB 4.26Å; L565-F589 HydrophobicContact CD1-CD2 4.46Å; L565-F589 HydrophobicContact CD1-CG 4.18Å; L565-F589 HydrophobicContact CD2-CB 3.57Å; L565-F589 HydrophobicContact CD2-CD1 3.81Å; L565-F589 HydrophobicContact CD2-CG 3.86Å; T580-F589 HydrophobicContact CG2-CD2 4.31Å; T580-F589 HydrophobicContact CG2-CE1 4.09Å; T580-F589 HydrophobicContact CG2-CE2 3.71Å; T580-F589 HydrophobicContact CG2-CZ 3.58Å; V584-F589 HydrophobicContact CG1-CD2 4.28Å; V584-F589 HydrophobicContact CG2-CD2 3.84Å; V584-F589 HydrophobicContact CG2-CE2 4.05Å; F589-V591 HydrophobicContact CD1-CG2 3.94Å; F589-V591 HydrophobicContact CE1-CG2 4.25Å
590K86.6Confident82.5Confident102 Ų10266 Ų6644%0.44339%0.389SS..EExtended strand (participates in β ladder)trans-86.2114173.3-173.1173.1-179.2167.90110.5L545 V546 T592L545-K590 CarbonylContact O-C 3.6Å; L545-K590 WeakPolarHBondContact O-CA 3.12Å; V546-K590 HydrophobicContact CG2-CB 4.19Å; V546-K590 HydrophobicContact CG2-CD 4.48Å; V546-K590 HydrophobicContact CG2-CG 4.09Å; K590-T592 HydrophobicContact CD-CG2 4.32Å; K590-T592 HydrophobicContact CG-CG2 4.06Å
591V86Confident82.8Confident4 Ų465.5 Ų65.52%0.02439%0.386CS..EExtended strand (participates in β ladder)trans-83.6127.4171.8-172.80000108.3S544 L545 L547 L579 F589 L594 F602S544-V591 CarbonylContact C-O 3.55Å; S544-V591 WeakPolarHBondContact CA-O 3.45Å; S544-V591 WeakPolarHBondContact CB-O 3.48Å; L545-V591 HydrophobicContact CD1-CB 4.06Å; L545-V591 HydrophobicContact CD1-CG2 3.93Å; L545-V591 HydrophobicContact CG-CB 4.29Å; L545-V591 PolarHBondContact N-O 3.08Å; L545-V591 PolarHBondContact O-N 3.3Å; L547-V591 HydrophobicContact CD1-CG2 3.64Å; L547-V591 HydrophobicContact CG-CG2 4.04Å; L579-V591 HydrophobicContact CD1-CG1 4.32Å; L579-V591 HydrophobicContact CD1-CG2 3.96Å; L579-V591 HydrophobicContact CD2-CG1 4.39Å; F589-V591 HydrophobicContact CD1-CG2 3.94Å; F589-V591 HydrophobicContact CE1-CG2 4.25Å; V591-L594 HydrophobicContact CG1-CD1 4.17Å; V591-L594 HydrophobicContact CG1-CD2 3.77Å; V591-L594 HydrophobicContact CG1-CG 4.03Å; V591-F602 HydrophobicContact CB-CE1 4.35Å; V591-F602 HydrophobicContact CG1-CE1 3.98Å; V591-F602 HydrophobicContact CG1-CZ 4.41Å; V591-F602 HydrophobicContact CG2-CD1 4.28Å; V591-F602 HydrophobicContact CG2-CE1 3.85Å
592T83.1Confident83.7Confident98 Ų9860.3 Ų60.360%0.60134%0.343SS*.EExtended strand (participates in β ladder)trans-124.8160.4178.857.70000110.7D543 K590D543-T592 CarbonylContact O-C 3.5Å; K590-T592 HydrophobicContact CD-CG2 4.32Å; K590-T592 HydrophobicContact CG-CG2 4.06Å
593G79.3Confident84.2Confident67 Ų6755.2 Ų55.269%0.69132%0.319SS*.  trans79.322.8-179.900000114.1D543D543-G593 PolarHBondContact O-N 2.74Å
594L85.4Confident84.5Confident11 Ų1152.5 Ų52.56%0.05830%0.302CS..PPolyproline II helixtrans-71.7148.9172-59.9178.4000110.1D543 L545 M567 V591 Y600 F602 V624D543-L594 WeakPolarHBondContact CA-O 3.23Å; D543-L594 PolarHBondContact O-N 2.84Å; L545-L594 HydrophobicContact CB-CD1 4.49Å; L545-L594 HydrophobicContact CD2-CD1 3.54Å; L545-L594 HydrophobicContact CG-CD1 3.69Å; M567-L594 HydrophobicContact CE-CD2 4.45Å; M567-L594 HydrophobicContact SD-CD2 3.64Å; V591-L594 HydrophobicContact CG1-CD1 4.17Å; V591-L594 HydrophobicContact CG1-CD2 3.77Å; V591-L594 HydrophobicContact CG1-CG 4.03Å; L594-Y600 HydrophobicContact CB-CE2 4Å; L594-Y600 HydrophobicContact CD2-CD1 4.22Å; L594-Y600 HydrophobicContact CD2-CD2 4.06Å; L594-Y600 HydrophobicContact CD2-CE1 4.09Å; L594-Y600 HydrophobicContact CD2-CE2 3.94Å; L594-Y600 HydrophobicContact CD2-CG 4.19Å; L594-Y600 HydrophobicContact CG-CE2 4.46Å; L594-F602 HydrophobicContact CD1-CZ 4.34Å; L594-F602 HydrophobicContact CD2-CZ 4.38Å; L594-V624 HydrophobicContact CB-CG1 4.2Å; L594-V624 HydrophobicContact CB-CG2 4.14Å; L594-V624 HydrophobicContact CD1-CG2 3.79Å
595Q81.1Confident84.6Confident111 Ų11151.6 Ų51.652%0.51930%0.297SS..PPolyproline II helixtrans-95.1124.7179.2-65.9-176.4-12.900110.2G597 H598 Y600Q595-G597 PolarHBondContact O-N 2.91Å; Q595-H598 HydrophobicContact CB-CB 4.38Å; Q595-H598 VanDerWaalsContact CB-ND1 3.32Å; Q595-H598 WeakPolarHBondContact CB-ND1 3.04Å; Q595-H598 WeakPolarHBondContact O-CB 3.44Å; Q595-H598 PolarHBondContact O-N 2.79Å; Q595-H598 VanDerWaalsContact O-N 3.09Å; Q595-H598 PolarHBondContact OE1-CE1 2.96Å; Q595-H598 VanDerWaalsContact OE1-CE1 3.31Å; Q595-Y600 PolarHBondContact N-OH 2.96Å
596T79.6Confident85.1Confident62 Ų6246.8 Ų46.838%0.3826%0.263SS..THydrogen-bonded Turntrans-52.4138.9171.1-42.50000111D542 H598 V624 T626D542-T596 HydrophobicContact CB-CG2 4.23Å; D542-T596 PolarHBondContact O-N 3.09Å; D542-T596 PolarHBondContact O-OG1 3.47Å; T596-H598 VanDerWaalsContact C-N 3.3Å; T596-H598 PolarHBondContact O-N 2.86Å; T596-H598 PolarHBondContact O-ND1 3.49Å; T596-V624 CarbonylContact C-O 3.56Å; T596-V624 WeakPolarHBondContact CA-O 3.42Å; T596-T626 VanDerWaalsContact CG2-OG1 3.28Å; T596-T626 WeakPolarHBondContact CG2-OG1 3.5Å
597G76.1Confident85.5Confident49 Ų4942.6 Ų42.651%0.50525%0.245SC..THydrogen-bonded Turntrans82.2-10.1-174.800000115.4Q595 V624Q595-G597 PolarHBondContact O-N 2.91Å; G597-V624 WeakPolarHBondContact CA-O 3.44Å; G597-V624 PolarHBondContact N-O 2.88Å
598H80.8Confident85.3Confident73 Ų7340 Ų4034%0.33823%0.228SC..  trans-96.4147.4-176.7-66.380.6000112.7Q569 Q595 T596 Y600 T623 V624Q569-H598 PolarHBondContact NE2-CD2 3.4Å; Q595-H598 HydrophobicContact CB-CB 4.38Å; Q595-H598 VanDerWaalsContact CB-ND1 3.32Å; Q595-H598 WeakPolarHBondContact CB-ND1 3.04Å; Q595-H598 WeakPolarHBondContact O-CB 3.44Å; Q595-H598 PolarHBondContact O-N 2.79Å; Q595-H598 VanDerWaalsContact O-N 3.09Å; Q595-H598 PolarHBondContact OE1-CE1 2.96Å; Q595-H598 VanDerWaalsContact OE1-CE1 3.31Å; T596-H598 VanDerWaalsContact C-N 3.3Å; T596-H598 PolarHBondContact O-N 2.86Å; T596-H598 PolarHBondContact O-ND1 3.49Å; H598-Y600 HydrophobicContact CB-CE2 3.68Å; H598-T623 WeakPolarHBondContact O-CA 3.33Å; H598-V624 PolarHBondContact O-N 3.29Å
599T85.4Confident85Confident32 Ų3242.5 Ų42.520%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-96.6135.9177.4-46.70000110.8G570 P621 V622 T623G570-T599 PolarHBondContact N-O 3.02Å; T599-P621 HydrophobicContact CG2-CB 3.6Å; T599-V622 CarbonylContact C-O 3.54Å; T599-V622 VanDerWaalsContact CA-O 3.23Å; T599-V622 WeakPolarHBondContact CA-O 3.28Å; T599-T623 PolarHBondContact OG1-OG1 3.5Å
600Y87.7Confident84.2Confident10 Ų1042.3 Ų42.34%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-130.7149.7-179.3-60.7-83.2000111.4M567 S568 Q569 L594 Q595 H598 F602 P621 V622 V624M567-Y600 HydrophobicContact CE-CD1 3.97Å; M567-Y600 HydrophobicContact CE-CE1 3.95Å; M567-Y600 HydrophobicContact CG-CD1 3.91Å; M567-Y600 HydrophobicContact SD-CD1 3.37Å; M567-Y600 WeakPolarHBondContact SD-CD1 3.42Å; M567-Y600 HydrophobicContact SD-CE1 3.87Å; M567-Y600 HydrophobicContact SD-CG 4.04Å; S568-Y600 CarbonylContact O-C 3.51Å; S568-Y600 WeakPolarHBondContact O-CA 3.26Å; Q569-Y600 HydrophobicContact CB-CD1 4.44Å; Q569-Y600 HydrophobicContact CB-CE1 4.42Å; Q569-Y600 HydrophobicContact CG-CD1 4.34Å; Q569-Y600 HydrophobicContact CG-CE1 4.03Å; L594-Y600 HydrophobicContact CB-CE2 4Å; L594-Y600 HydrophobicContact CD2-CD1 4.22Å; L594-Y600 HydrophobicContact CD2-CD2 4.06Å; L594-Y600 HydrophobicContact CD2-CE1 4.09Å; L594-Y600 HydrophobicContact CD2-CE2 3.94Å; L594-Y600 HydrophobicContact CD2-CG 4.19Å; L594-Y600 HydrophobicContact CG-CE2 4.46Å; Q595-Y600 PolarHBondContact N-OH 2.96Å; H598-Y600 HydrophobicContact CB-CE2 3.68Å; Y600-F602 HydrophobicContact CG-CZ 4.43Å; Y600-P621 WeakPolarHBondContact O-CA 3.33Å; Y600-V622 PolarHBondContact N-O 3.01Å; Y600-V622 WeakPolarHBondContact O-CG1 3.41Å; Y600-V622 PolarHBondContact O-N 3.02Å; Y600-V624 HydrophobicContact CD2-CG2 4Å; Y600-V624 HydrophobicContact CE2-CG2 4.25Å
601C87.4Confident83.7Confident0 Ų038.5 Ų38.50%024%0.243CC..EExtended strand (participates in β ladder)trans-122.6148.1166.1-69.80000109.5M567 S568 W576M567-C601 CarbonylContact C-O 3.58Å; M567-C601 VanDerWaalsContact CA-O 3.29Å; M567-C601 WeakPolarHBondContact CA-O 3.39Å; S568-C601 PolarHBondContact N-O 3.36Å; S568-C601 PolarHBondContact O-N 3.24Å; W576-C601 HydrophobicContact CH2-CB 3.9Å; W576-C601 HydrophobicContact CZ3-CB 4.39Å; W576-C601 WeakPolarHBondContact CZ3-O 3.32Å
602F91.6Very high83.6Confident0 Ų041.7 Ų41.70%026%0.262CS..EExtended strand (participates in β ladder)trans-126.7149.2-177.7-59-87000111.2L535 L537 L545 L547 E566 M567 L579 V591 L594 Y600 P618 S619 V622L535-F602 HydrophobicContact CD2-CB 4.45Å; L535-F602 WeakPolarHBondContact CD2-O 3.43Å; L537-F602 HydrophobicContact CD2-CD2 3.75Å; L537-F602 HydrophobicContact CD2-CE2 4.02Å; L545-F602 HydrophobicContact CD1-CE2 4.19Å; L545-F602 HydrophobicContact CD1-CZ 4.18Å; L545-F602 HydrophobicContact CD2-CE2 3.63Å; L545-F602 HydrophobicContact CD2-CZ 3.81Å; L545-F602 HydrophobicContact CG-CE2 4.45Å; L545-F602 HydrophobicContact CG-CZ 4.34Å; L547-F602 HydrophobicContact CD1-CB 3.92Å; L547-F602 HydrophobicContact CD1-CD1 3.74Å; L547-F602 HydrophobicContact CD1-CE1 4.49Å; L547-F602 HydrophobicContact CD1-CG 3.9Å; L547-F602 HydrophobicContact CD2-CB 3.73Å; L547-F602 HydrophobicContact CD2-CD1 4.3Å; L547-F602 HydrophobicContact CD2-CD2 3.93Å; L547-F602 HydrophobicContact CD2-CG 3.71Å; L547-F602 HydrophobicContact CG-CG 4.4Å; E566-F602 CarbonylContact O-C 3.58Å; E566-F602 WeakPolarHBondContact O-CA 3.49Å; M567-F602 HydrophobicContact CB-CD1 3.88Å; M567-F602 HydrophobicContact CB-CE1 3.85Å; M567-F602 HydrophobicContact CG-CD1 3.89Å; M567-F602 HydrophobicContact CG-CE1 3.47Å; M567-F602 VanDerWaalsContact CG-CE1 3.47Å; M567-F602 HydrophobicContact CG-CZ 4.01Å; M567-F602 HydrophobicContact SD-CD1 4.42Å; M567-F602 HydrophobicContact SD-CE1 3.46Å; M567-F602 WeakPolarHBondContact SD-CE1 3.44Å; M567-F602 HydrophobicContact SD-CZ 3.81Å; L579-F602 HydrophobicContact CD1-CD1 3.87Å; L579-F602 HydrophobicContact CD1-CE1 3.99Å; V591-F602 HydrophobicContact CB-CE1 4.35Å; V591-F602 HydrophobicContact CG1-CE1 3.98Å; V591-F602 HydrophobicContact CG1-CZ 4.41Å; V591-F602 HydrophobicContact CG2-CD1 4.28Å; V591-F602 HydrophobicContact CG2-CE1 3.85Å; L594-F602 HydrophobicContact CD1-CZ 4.34Å; L594-F602 HydrophobicContact CD2-CZ 4.38Å; Y600-F602 HydrophobicContact CG-CZ 4.43Å; F602-P618 CarbonylContact O-C 3.56Å; F602-P618 VanDerWaalsContact O-CA 3.29Å; F602-P618 WeakPolarHBondContact O-CA 3.48Å; F602-S619 PolarHBondContact N-OG 2.97Å; F602-S619 PolarHBondContact O-N 3.19Å; F602-V622 HydrophobicContact CD2-CG1 4.38Å; F602-V622 HydrophobicContact CE2-CG1 3.74Å
603R91.7Very high83.4Confident60 Ų6037.2 Ų37.223%0.22624%0.236CC..EExtended strand (participates in β ladder)trans-145.3158.1168.669.7-175.4-169.3-173.8-2.7110.2E566 W576 A615E566-R603 HydrophobicContact CB-CG 3.91Å; E566-R603 VanDerWaalsContact CD-NH2 3.29Å; E566-R603 PolarHBondContact N-O 3.33Å; E566-R603 PolarHBondContact O-N 3.41Å; E566-R603 IonicContact OE1-CZ 3.37Å; E566-R603 IonicContact OE1-NE 2.74Å; E566-R603 IonicContact OE1-NH2 3.68Å; E566-R603 PolarHBondContact OE1-NH2 2.81Å; E566-R603 IonicContact OE2-CZ 3.87Å; E566-R603 VanDerWaalsContact OE2-CZ 3.26Å; E566-R603 IonicContact OE2-NE 2.88Å; E566-R603 PolarHBondContact OE2-NE 3.39Å; E566-R603 IonicContact OE2-NH2 3.79Å; E566-R603 PolarHBondContact OE2-NH2 3.45Å; W576-R603 VanDerWaalsContact CD1-CZ 3.45Å; W576-R603 VanDerWaalsContact CD1-NH1 3.35Å; W576-R603 HydrophobicContact CD2-CG 4.2Å; W576-R603 HydrophobicContact CE3-CG 3.73Å; W576-R603 HydrophobicContact CH2-CB 4.25Å; W576-R603 HydrophobicContact CH2-CG 4.13Å; W576-R603 HydrophobicContact CZ3-CB 4.1Å; W576-R603 HydrophobicContact CZ3-CG 3.7Å; R603-A615 HydrophobicContact CB-CB 4.4Å; R603-A615 HydrophobicContact CG-CB 4.03Å
604V91.5Very high83.5Confident0 Ų039.8 Ų39.80%022%0.224CC..EExtended strand (participates in β ladder)trans-131.8133-174.2-173.40000110.6P532 L535 W549 Y563 M564 L565 A615 S616P532-V604 HydrophobicContact CB-CB 4.49Å; P532-V604 HydrophobicContact CB-CG1 4.48Å; P532-V604 WeakPolarHBondContact CD-O 3.18Å; P532-V604 HydrophobicContact CG-CB 4.44Å; P532-V604 HydrophobicContact CG-CG1 4.14Å; L535-V604 HydrophobicContact CD1-CG2 3.86Å; L535-V604 HydrophobicContact CD2-CG2 4.32Å; W549-V604 HydrophobicContact CD2-CB 4.38Å; W549-V604 HydrophobicContact CD2-CG1 3.98Å; W549-V604 HydrophobicContact CD2-CG2 4.02Å; W549-V604 HydrophobicContact CE3-CG1 4.48Å; W549-V604 HydrophobicContact CE3-CG2 3.84Å; W549-V604 HydrophobicContact CG-CG1 4.37Å; W549-V604 HydrophobicContact CH2-CG1 4.49Å; W549-V604 HydrophobicContact CZ2-CG1 3.97Å; W549-V604 HydrophobicContact CZ3-CG2 4.19Å; Y563-V604 HydrophobicContact CD1-CG1 4.08Å; Y563-V604 HydrophobicContact CG-CG1 4.28Å; M564-V604 WeakPolarHBondContact O-CA 3.33Å; L565-V604 HydrophobicContact CD2-CG2 4.16Å; L565-V604 HydrophobicContact CG-CG1 4.42Å; L565-V604 HydrophobicContact CG-CG2 4.16Å; V604-A615 CarbonylContact O-C 3.44Å; V604-S616 PolarHBondContact N-OG 2.76Å; V604-S616 WeakPolarHBondContact O-CB 3.2Å; V604-S616 PolarHBondContact O-N 3.49Å
605S89.6Confident83.4Confident6 Ų640.8 Ų40.84%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-114.7135.9175.8-570000110.2Y563 M564 V612 G613 A615Y563-S605 CarbonylContact C-O 3.58Å; Y563-S605 VanDerWaalsContact CA-O 3.28Å; Y563-S605 WeakPolarHBondContact CA-O 3.29Å; M564-S605 PolarHBondContact N-O 2.85Å; M564-S605 PolarHBondContact O-N 3.35Å; S605-V612 VanDerWaalsContact CB-CG1 3.48Å; S605-G613 WeakPolarHBondContact CB-O 3.37Å; S605-A615 WeakPolarHBondContact OG-CA 3.37Å; S605-A615 VanDerWaalsContact OG-CB 3.27Å; S605-A615 WeakPolarHBondContact OG-CB 3.49Å; S605-A615 PolarHBondContact OG-N 3.04Å
606A88Confident83.6Confident0 Ų035.8 Ų35.80%021%0.212CC..EExtended strand (participates in β ladder)trans-80.9149.7171.800000110.6P529 P532 P552 V560 Y563 G613P529-A606 HydrophobicContact CB-CB 3.73Å; P529-A606 HydrophobicContact CG-CB 4.23Å; P532-A606 HydrophobicContact CG-CB 4Å; P552-A606 HydrophobicContact CG-CB 3.34Å; V560-A606 HydrophobicContact CG1-CB 3.98Å; V560-A606 HydrophobicContact CG2-CB 4.14Å; Y563-A606 HydrophobicContact CD1-CB 4.04Å; Y563-A606 HydrophobicContact CE1-CB 3.9Å; A606-G613 PolarHBondContact O-N 2.73Å
607V87.9Confident83.6Confident16 Ų1635.5 Ų35.510%0.09721%0.208CC..EExtended strand (participates in β ladder)trans-123.8134.7-179.4-171.50000108.7V560 S561 G562 M564 P583 G611 V612V560-V607 CarbonylContact C-O 3.51Å; V560-V607 VanDerWaalsContact CA-O 3.31Å; V560-V607 WeakPolarHBondContact CA-O 3.17Å; V560-V607 WeakPolarHBondContact CG1-O 3.27Å; S561-V607 PolarHBondContact N-O 3.47Å; S561-V607 PolarHBondContact OG-O 3.19Å; S561-V607 VanDerWaalsContact OG-O 3.12Å; G562-V607 PolarHBondContact N-O 3.29Å; G562-V607 PolarHBondContact O-N 3.32Å; M564-V607 HydrophobicContact CB-CG2 4.33Å; M564-V607 HydrophobicContact CG-CG2 3.5Å; P583-V607 HydrophobicContact CB-CB 4.4Å; P583-V607 HydrophobicContact CB-CG2 4.17Å; P583-V607 HydrophobicContact CG-CB 4.26Å; P583-V607 HydrophobicContact CG-CG1 4.3Å; P583-V607 HydrophobicContact CG-CG2 4.03Å; V607-G611 WeakPolarHBondContact CA-O 3.04Å; V607-V612 HydrophobicContact CG1-CG2 4.27Å; V607-V612 HydrophobicContact CG2-CB 4.34Å; V607-V612 HydrophobicContact CG2-CG1 4.24Å; V607-V612 HydrophobicContact CG2-CG2 3.89Å
608N83.9Confident84Confident7 Ų734.8 Ų34.84%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-131.1-170.1165.670.310000110P529 E555 S558 P559 A610 G611P529-N608 WeakPolarHBondContact CD-ND2 3.25Å; P529-N608 WeakPolarHBondContact CD-OD1 2.96Å; P529-N608 HydrophobicContact CG-CB 3.61Å; P529-N608 WeakPolarHBondContact CG-ND2 3.39Å; E555-N608 PolarHBondContact O-ND2 2.85Å; S558-N608 WeakPolarHBondContact O-CB 3.38Å; S558-N608 PolarHBondContact O-ND2 2.76Å; P559-N608 WeakPolarHBondContact O-CB 3.37Å; N608-A610 PolarHBondContact O-N 3.17Å; N608-A610 WeakPolarHBondContact OD1-CA 3.45Å; N608-A610 VanDerWaalsContact OD1-CB 3.26Å; N608-A610 WeakPolarHBondContact OD1-CB 3.32Å; N608-A610 PolarHBondContact OD1-N 3.04Å; N608-G611 PolarHBondContact N-O 3.35Å; N608-G611 PolarHBondContact O-N 2.78Å; N608-G611 VanDerWaalsContact O-N 3.1Å; N608-G611 PolarHBondContact OD1-N 2.9Å
609N75.8Confident84.2Confident130 Ų13031.5 Ų31.570%0.69518%0.179SC*.THydrogen-bonded Turntrans-61.3-21.2179-66.5-17000114.4
610A70Confident83.9Confident50 Ų5035.2 Ų35.241%0.41319%0.194SC..THydrogen-bonded Turntrans-82-26.2176.400000112.4E528 N608E528-A610 HydrophobicContact CG-CB 4.49Å; N608-A610 PolarHBondContact O-N 3.17Å; N608-A610 WeakPolarHBondContact OD1-CA 3.45Å; N608-A610 VanDerWaalsContact OD1-CB 3.26Å; N608-A610 WeakPolarHBondContact OD1-CB 3.32Å; N608-A610 PolarHBondContact OD1-N 3.04Å
611G76.8Confident83.6Confident23 Ų2337 Ų3724%0.23721%0.207CC..EExtended strand (participates in β ladder)trans147.1-166.817900000113.6V607 N608V607-G611 WeakPolarHBondContact CA-O 3.04Å; N608-G611 PolarHBondContact N-O 3.35Å; N608-G611 PolarHBondContact O-N 2.78Å; N608-G611 VanDerWaalsContact O-N 3.1Å; N608-G611 PolarHBondContact OD1-N 2.9Å
612V82.9Confident83.3Confident71 Ų7138 Ų3843%0.4321%0.213SC..EExtended strand (participates in β ladder)trans-83.6114.6173.7-176.40000107.8M564 S605 V607M564-V612 HydrophobicContact CG-CG2 4.42Å; S605-V612 VanDerWaalsContact CB-CG1 3.48Å; V607-V612 HydrophobicContact CG1-CG2 4.27Å; V607-V612 HydrophobicContact CG2-CB 4.34Å; V607-V612 HydrophobicContact CG2-CG1 4.24Å; V607-V612 HydrophobicContact CG2-CG2 3.89Å
613G79Confident82.9Confident4 Ų440.8 Ų40.84%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-70179.3174.700000113P529 S605 A606P529-G613 WeakPolarHBondContact O-CA 3.1Å; S605-G613 WeakPolarHBondContact CB-O 3.37Å; A606-G613 PolarHBondContact O-N 2.73Å
614R80.8Confident82.2Confident120 Ų12038 Ų3845%0.45322%0.22SC..EExtended strand (participates in β ladder)trans-62.7142.4-178.3-69-175177.5-173.4-0.4111.7C531C531-R614 VanDerWaalsContact CA-O 3.3Å; C531-R614 WeakPolarHBondContact CA-O 3.38Å; C531-R614 HydrophobicContact CB-CB 4.43Å; C531-R614 WeakPolarHBondContact CB-O 3.45Å
615A83.6Confident81Confident32 Ų3244 Ų4426%0.26425%0.248SC..EExtended strand (participates in β ladder)trans-67.4149.7176.100000111.5R603 V604 S605R603-A615 HydrophobicContact CB-CB 4.4Å; R603-A615 HydrophobicContact CG-CB 4.03Å; V604-A615 CarbonylContact O-C 3.44Å; S605-A615 WeakPolarHBondContact OG-CA 3.37Å; S605-A615 VanDerWaalsContact OG-CB 3.27Å; S605-A615 WeakPolarHBondContact OG-CB 3.49Å; S605-A615 PolarHBondContact OG-N 3.04Å
616S85.6Confident79Confident7 Ų748.3 Ų48.35%0.04927%0.274CS..PPolyproline II helixtrans-57.6164.8168.373.70000110.8P532 V604P532-S616 WeakPolarHBondContact O-CB 3.49Å; V604-S616 PolarHBondContact N-OG 2.76Å; V604-S616 WeakPolarHBondContact O-CB 3.2Å; V604-S616 PolarHBondContact O-N 3.49Å
617L79.8Confident77Confident56 Ų5654.7 Ų54.729%0.29330%0.304SS..PPolyproline II helixtrans-52.8136.9160.8-75.5172.1000109.3G432 A434 R448G432-L617 WeakPolarHBondContact O-CD1 3.41Å; A434-L617 HydrophobicContact CB-CD1 4.49Å; A434-L617 HydrophobicContact CB-CD2 3.69Å; A434-L617 HydrophobicContact CB-CG 4.01Å; R448-L617 HydrophobicContact CG-CD1 4.16Å
618P84.4Confident74.7Confident33 Ų3358.3 Ų58.321%0.21433%0.328CS..PPolyproline II helixtrans-53146.8170.4-30.537.8000111.9R448 W576 F602R448-P618 PolarHBondContact NH2-O 3.47Å; W576-P618 HydrophobicContact CH2-CB 3.86Å; W576-P618 HydrophobicContact CH2-CG 4.01Å; W576-P618 HydrophobicContact CZ2-CB 4.14Å; W576-P618 HydrophobicContact CZ2-CG 3.83Å; F602-P618 CarbonylContact O-C 3.56Å; F602-P618 VanDerWaalsContact O-CA 3.29Å; F602-P618 WeakPolarHBondContact O-CA 3.48Å
619S85.3Confident72.9Confident5 Ų560.8 Ų60.84%0.03536%0.355CS..PPolyproline II helixtrans-61.9162.2168.376.10000110.3F602F602-S619 PolarHBondContact N-OG 2.97Å; F602-S619 PolarHBondContact O-N 3.19Å
620E78Confident71.4Confident109 Ų10956.9 Ų56.951%0.50934%0.336SS..PPolyproline II helixtrans-60.8147163.7-64-58.4149.700109.8R448 V622R448-E620 IonicContact CZ-OE1 3.99Å; R448-E620 IonicContact NE-OE1 3.53Å; R448-E620 IonicContact NH1-OE1 2.65Å; R448-E620 PolarHBondContact NH1-OE1 3.46Å; E620-V622 PolarHBondContact O-N 3.17Å
621P81.8Confident70.7Confident49 Ų4958.8 Ų58.832%0.31834%0.335SS..PPolyproline II helixtrans-60.3126.7176.2-1929.7000111.1T599 Y600T599-P621 HydrophobicContact CG2-CB 3.6Å; Y600-P621 WeakPolarHBondContact O-CA 3.33Å
622V82.3Confident70.1Confident19 Ų1964 Ų6412%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-115.1125.3179.760.20000110.5L537 V540 L545 T599 Y600 F602 E620L537-V622 HydrophobicContact CD1-CB 4.14Å; L537-V622 HydrophobicContact CD1-CG1 4.19Å; L537-V622 HydrophobicContact CD2-CG1 4.12Å; V540-V622 HydrophobicContact CG1-CG2 3.81Å; V540-V622 HydrophobicContact CG2-CG2 4.09Å; L545-V622 HydrophobicContact CD2-CG1 3.83Å; T599-V622 CarbonylContact C-O 3.54Å; T599-V622 VanDerWaalsContact CA-O 3.23Å; T599-V622 WeakPolarHBondContact CA-O 3.28Å; Y600-V622 PolarHBondContact N-O 3.01Å; Y600-V622 WeakPolarHBondContact O-CG1 3.41Å; Y600-V622 PolarHBondContact O-N 3.02Å; F602-V622 HydrophobicContact CD2-CG1 4.38Å; F602-V622 HydrophobicContact CE2-CG1 3.74Å; E620-V622 PolarHBondContact O-N 3.17Å
623T83.4Confident69.8Low60 Ų6061.1 Ų61.137%0.36834%0.335SS..EExtended strand (participates in β ladder)trans-97.3119.4173.9-550000109.4H598 T599 Q625H598-T623 WeakPolarHBondContact O-CA 3.33Å; T599-T623 PolarHBondContact OG1-OG1 3.5Å; T623-Q625 HydrophobicContact CG2-CG 4.13Å
624V76.6Confident69.6Low0 Ų068.1 Ų68.10%036%0.364CS..  trans-83.4122.5-176.4167.30000108.7V540 R541 D542 L594 T596 G597 H598 Y600V540-V624 HydrophobicContact CG1-CG2 4.47Å; R541-V624 WeakPolarHBondContact O-CG1 3.39Å; D542-V624 WeakPolarHBondContact O-CG1 3.48Å; L594-V624 HydrophobicContact CB-CG1 4.2Å; L594-V624 HydrophobicContact CB-CG2 4.14Å; L594-V624 HydrophobicContact CD1-CG2 3.79Å; T596-V624 CarbonylContact C-O 3.56Å; T596-V624 WeakPolarHBondContact CA-O 3.42Å; G597-V624 WeakPolarHBondContact CA-O 3.44Å; G597-V624 PolarHBondContact N-O 2.88Å; H598-V624 PolarHBondContact O-N 3.29Å; Y600-V624 HydrophobicContact CD2-CG2 4Å; Y600-V624 HydrophobicContact CE2-CG2 4.25Å
625Q64.9Low69.6Low126 Ų12664.1 Ų64.159%0.58935%0.351SS*.  trans-138.6153.7-176.9-65.5-171.1-000112D542 T623 Q627D542-Q625 WeakPolarHBondContact CB-O 3.33Å; T623-Q625 HydrophobicContact CG2-CG 4.13Å; Q625-Q627 PolarHBondContact O-N 3.49Å; Q625-Q627 VanDerWaalsContact O-N 3.12Å
626T47.7Very low69.3Low98 Ų9863.2 Ų63.260%0.60135%0.346SS*.  trans-63107.2174.9-30.90000110.2D542 T596D542-T626 HydrophobicContact CB-CG2 4.45Å; T596-T626 VanDerWaalsContact CG2-OG1 3.28Å; T596-T626 WeakPolarHBondContact CG2-OG1 3.5Å
627Q47.4Very low68.9Low134 Ų13464.7 Ų64.763%0.62635%0.354SS*.  trans-81.9135.7167.8-81.8-175.1-10.100109.8Q625 G629Q625-Q627 PolarHBondContact O-N 3.49Å; Q625-Q627 VanDerWaalsContact O-N 3.12Å; Q627-G629 PolarHBondContact O-N 2.92Å
628P39Very low68.5Low92 Ų9264 Ų6460%0.59735%0.351SS*.  trans-59.8134169.4-17.629.6000110.4T630 L707P628-T630 PolarHBondContact O-N 2.95Å; P628-L707 HydrophobicContact CB-CD2 4.25Å
629G45.9Very low67.6Low58 Ų5870.1 Ų70.160%0.59838%0.382SS*.  trans-59.8101.8-163.600000116.5Q627Q627-G629 PolarHBondContact O-N 2.92Å
630T44.9Very low66.6Low49 Ų4975.6 Ų75.630%0.30141%0.41SS..PPolyproline II helixtrans-85.3133.3158.351.40000109.7P628 L707P628-T630 PolarHBondContact O-N 2.95Å; T630-L707 HydrophobicContact CG2-CB 3.87Å; T630-L707 HydrophobicContact CG2-CD2 3.89Å; T630-L707 HydrophobicContact CG2-CG 4.47Å
631K54.6Low65.9Low90 Ų9070.4 Ų70.439%0.39139%0.386SS..PPolyproline II helixtrans-88.7143.3168.3-72.81791691710109.5Y647 E648 V650K631-Y647 WeakPolarHBondContact O-CD2 3.45Å; K631-Y647 WeakPolarHBondContact O-CE2 3.4Å; K631-E648 WeakPolarHBondContact CB-O 3.15Å; K631-E648 HydrophobicContact CD-CB 4.04Å; K631-E648 HydrophobicContact CD-CG 4.37Å; K631-E648 WeakPolarHBondContact CD-O 3.19Å; K631-E648 VanDerWaalsContact NZ-CD 3.25Å; K631-E648 IonicContact NZ-OE1 3.84Å; K631-E648 IonicContact NZ-OE2 3.39Å; K631-E648 PolarHBondContact NZ-OE2 2.9Å; K631-V650 HydrophobicContact CD-CG2 4.48Å; K631-V650 HydrophobicContact CG-CG2 4.3Å
632E64.1Low65.5Low133 Ų13370.8 Ų70.862%0.62138%0.383SS*.PPolyproline II helixtrans-63.1147.2177-69.1166.2-164.100112.2R541 K634R541-E632 IonicContact CZ-OE1 3.85Å; R541-E632 IonicContact NH2-OE1 2.71Å; R541-E632 PolarHBondContact NH2-OE1 2.85Å; E632-K634 PolarHBondContact O-N 2.88Å
633I75.9Confident65.4Low10 Ų1070 Ų705%0.05138%0.378CS..PPolyproline II helixtrans-67127.2171.9-65.4161.4000108.8L645 G646 Y647 W660 V699 S709 Y711I633-L645 HydrophobicContact CG2-CB 3.97Å; I633-L645 HydrophobicContact CG2-CD2 3.77Å; I633-L645 HydrophobicContact CG2-CG 4.41Å; I633-G646 WeakPolarHBondContact CA-O 3.49Å; I633-Y647 HydrophobicContact CG1-CD2 4.04Å; I633-W660 HydrophobicContact CB-CH2 4.46Å; I633-W660 HydrophobicContact CD1-CH2 4.01Å; I633-W660 HydrophobicContact CD1-CZ3 3.7Å; I633-W660 HydrophobicContact CG1-CH2 3.86Å; I633-W660 HydrophobicContact CG1-CZ3 4.09Å; I633-W660 HydrophobicContact CG2-CH2 3.78Å; I633-W660 HydrophobicContact CG2-CZ3 4.12Å; I633-V699 HydrophobicContact CD1-CB 4.47Å; I633-V699 HydrophobicContact CD1-CG1 3.85Å; I633-V699 HydrophobicContact CG1-CG1 3.86Å; I633-S709 WeakPolarHBondContact CD1-O 3.21Å; I633-Y711 HydrophobicContact CG2-CG 4.4Å
634K76.4Confident65.3Low150 Ų15069.1 Ų69.165%0.65237%0.369SS*.EExtended strand (participates in β ladder)trans-99.2141.7176.6-65.1-176.6178.7178.30111E632 L645 G646E632-K634 PolarHBondContact O-N 2.88Å; K634-L645 CarbonylContact O-C 3.58Å; K634-L645 WeakPolarHBondContact O-CA 3.31Å; K634-G646 PolarHBondContact N-O 3.45Å; K634-G646 PolarHBondContact O-N 3.46Å
635I80Confident65.5Low36 Ų3669.1 Ų69.119%0.18537%0.369CS..EExtended strand (participates in β ladder)trans-112.5143.8175.3-161.5171.7000111F644 L645 Y711 F713 D717 L721I635-F644 WeakPolarHBondContact CA-O 3.32Å; I635-F644 WeakPolarHBondContact CG1-O 3.17Å; I635-L645 HydrophobicContact CB-CD2 3.84Å; I635-L645 HydrophobicContact CD1-CD2 3.86Å; I635-L645 HydrophobicContact CG1-CD2 3.73Å; I635-L645 HydrophobicContact CG1-CG 4.47Å; I635-Y711 HydrophobicContact CB-CE1 4.4Å; I635-Y711 HydrophobicContact CD1-CE1 3.95Å; I635-Y711 HydrophobicContact CG2-CE1 4.43Å; I635-Y711 HydrophobicContact CG2-CE2 4.5Å; I635-F713 HydrophobicContact CD1-CD2 3.49Å; I635-F713 VanDerWaalsContact CD1-CD2 3.49Å; I635-F713 HydrophobicContact CD1-CE2 3.56Å; I635-F713 HydrophobicContact CD1-CG 4.37Å; I635-F713 HydrophobicContact CD1-CZ 4.46Å; I635-D717 HydrophobicContact CD1-CB 4.39Å; I635-L721 HydrophobicContact CD1-CD1 3.32Å; I635-L721 HydrophobicContact CG1-CD1 3.52Å; I635-L721 HydrophobicContact CG2-CD1 4.38Å
636G78.3Confident66.1Low14 Ų1463.6 Ų63.614%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-168.3-178.7-179.100000114.8I643 F644G636-I643 CarbonylContact O-C 3.55Å; G636-I643 WeakPolarHBondContact O-CA 3.4Å; G636-F644 PolarHBondContact N-O 2.8Å; G636-F644 PolarHBondContact O-N 2.76Å
637V76.7Confident67.4Low37 Ų3759.2 Ų59.222%0.22432%0.319CS..EExtended strand (participates in β ladder)trans-113.7129.9171.3-1770000107.8F642 I643 L721 L724 V728V637-F642 CarbonylContact C-O 3.59Å; V637-F642 VanDerWaalsContact CA-O 3.27Å; V637-F642 WeakPolarHBondContact CA-O 3.48Å; V637-I643 HydrophobicContact CG2-CG1 4.09Å; V637-L721 HydrophobicContact CG2-CB 4.34Å; V637-L721 HydrophobicContact CG2-CD2 3.78Å; V637-L724 HydrophobicContact CG2-CB 3.71Å; V637-V728 HydrophobicContact CG1-CG2 4.2Å
638D71.6Confident68.6Low42 Ų4256.3 Ų56.323%0.22531%0.305CS..  trans-79.8175.1176.46918.1000112.5D640 G641 F642 F644D638-D640 PolarHBondContact O-N 3.4Å; D638-D640 VanDerWaalsContact O-N 3.12Å; D638-D640 PolarHBondContact OD1-N 3.21Å; D638-D640 VanDerWaalsContact OD1-N 3.13Å; D638-G641 PolarHBondContact O-N 2.79Å; D638-G641 PolarHBondContact OD1-N 2.88Å; D638-G641 VanDerWaalsContact OD1-N 3.09Å; D638-F642 PolarHBondContact N-O 3.11Å; D638-F642 PolarHBondContact OD1-N 3.26Å; D638-F644 HydrophobicContact CB-CD1 4.08Å; D638-F644 HydrophobicContact CB-CE1 4.2Å
639D65.9Low69.6Low161 Ų16152.2 Ų52.286%0.86128%0.279SS*.THydrogen-bonded Turntrans-62.3-20-176-64.6-31.2000113.4
640D63.5Low70Confident120 Ų12054 Ų5464%0.64228%0.278SS*.THydrogen-bonded Turntrans-962.6177.9-66.1-44.4000112.4D638 F642D638-D640 PolarHBondContact O-N 3.4Å; D638-D640 VanDerWaalsContact O-N 3.12Å; D638-D640 PolarHBondContact OD1-N 3.21Å; D638-D640 VanDerWaalsContact OD1-N 3.13Å; D640-F642 HydrophobicContact CB-CD2 3.73Å; D640-F642 HydrophobicContact CB-CE2 3.75Å
641G63.1Low70.5Confident0 Ų060 Ų600%030%0.302CS..SBendtrans81.318.4177.500000113.9D638 S725 R729D638-G641 PolarHBondContact O-N 2.79Å; D638-G641 PolarHBondContact OD1-N 2.88Å; D638-G641 VanDerWaalsContact OD1-N 3.09Å; G641-S725 VanDerWaalsContact O-CB 3.31Å; G641-S725 WeakPolarHBondContact O-CB 3.46Å; G641-S725 PolarHBondContact O-OG 3.47Å; G641-R729 PolarHBondContact O-NE 2.94Å; G641-R729 PolarHBondContact O-NH2 3.01Å
642F73.1Confident70.3Confident58 Ų5857.5 Ų57.525%0.25429%0.293SS..  trans-89.2145.1171.2-59.6-80.9000111.4V637 D638 D640 T685 K687V637-F642 CarbonylContact C-O 3.59Å; V637-F642 VanDerWaalsContact CA-O 3.27Å; V637-F642 WeakPolarHBondContact CA-O 3.48Å; D638-F642 PolarHBondContact N-O 3.11Å; D638-F642 PolarHBondContact OD1-N 3.26Å; D640-F642 HydrophobicContact CB-CD2 3.73Å; D640-F642 HydrophobicContact CB-CE2 3.75Å; F642-T685 HydrophobicContact CB-CG2 3.54Å; F642-T685 HydrophobicContact CG-CG2 4.31Å; F642-K687 HydrophobicContact CD1-CG 4.44Å; F642-K687 HydrophobicContact CE1-CG 3.99Å
643I79.9Confident70.1Confident1 Ų156.7 Ų56.71%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-87.4138.1-179.9-65.8165.1000108.6G636 V637 T685 F686 P689 L721 K722G636-I643 CarbonylContact O-C 3.55Å; G636-I643 WeakPolarHBondContact O-CA 3.4Å; V637-I643 HydrophobicContact CG2-CG1 4.09Å; I643-T685 CarbonylContact O-C 3.39Å; I643-T685 WeakPolarHBondContact O-CA 3.22Å; I643-F686 HydrophobicContact CG2-CD2 4.19Å; I643-F686 WeakPolarHBondContact O-CD2 3.04Å; I643-F686 PolarHBondContact O-N 3.13Å; I643-P689 HydrophobicContact CB-CG 4.21Å; I643-P689 HydrophobicContact CD1-CG 3.34Å; I643-P689 HydrophobicContact CG1-CG 4.25Å; I643-L721 HydrophobicContact CD1-CB 3.63Å; I643-L721 HydrophobicContact CG1-CB 3.9Å; I643-L721 HydrophobicContact CG2-CB 4.29Å; I643-L721 HydrophobicContact CG2-CD1 3.92Å; I643-K722 HydrophobicContact CD1-CG 4.48Å
644F82Confident69.2Low43 Ų4362.6 Ų62.619%0.18932%0.324CS..EExtended strand (participates in β ladder)trans-139.8156.3-179.872.3-92.9000114I635 G636 D638 V683 L684 T685I635-F644 WeakPolarHBondContact CA-O 3.32Å; I635-F644 WeakPolarHBondContact CG1-O 3.17Å; G636-F644 PolarHBondContact N-O 2.8Å; G636-F644 PolarHBondContact O-N 2.76Å; D638-F644 HydrophobicContact CB-CD1 4.08Å; D638-F644 HydrophobicContact CB-CE1 4.2Å; F644-V683 HydrophobicContact CB-CG1 3.8Å; F644-V683 HydrophobicContact CD2-CG1 3.7Å; F644-V683 HydrophobicContact CG-CG1 3.96Å; F644-L684 CarbonylContact C-O 3.57Å; F644-L684 WeakPolarHBondContact CA-O 3Å; F644-T685 HydrophobicContact CB-CG2 4.48Å
645L81.4Confident68.4Low0 Ų062.8 Ų62.80%033%0.332CS..EExtended strand (participates in β ladder)trans-111123.1165.6-69.1165.3000109.1I633 K634 I635 W660 V683 L684 F686 Y697 Y711I633-L645 HydrophobicContact CG2-CB 3.97Å; I633-L645 HydrophobicContact CG2-CD2 3.77Å; I633-L645 HydrophobicContact CG2-CG 4.41Å; K634-L645 CarbonylContact O-C 3.58Å; K634-L645 WeakPolarHBondContact O-CA 3.31Å; I635-L645 HydrophobicContact CB-CD2 3.84Å; I635-L645 HydrophobicContact CD1-CD2 3.86Å; I635-L645 HydrophobicContact CG1-CD2 3.73Å; I635-L645 HydrophobicContact CG1-CG 4.47Å; L645-W660 HydrophobicContact CB-CH2 3.93Å; L645-W660 HydrophobicContact CB-CZ3 4.1Å; L645-W660 HydrophobicContact CD1-CZ3 4.46Å; L645-V683 CarbonylContact O-C 3.49Å; L645-V683 WeakPolarHBondContact O-CA 3Å; L645-L684 HydrophobicContact CB-CB 4.36Å; L645-L684 HydrophobicContact CD1-CD2 4.39Å; L645-L684 PolarHBondContact N-O 3.39Å; L645-L684 PolarHBondContact O-N 3.42Å; L645-F686 HydrophobicContact CD1-CE2 3.79Å; L645-F686 HydrophobicContact CD1-CZ 3.72Å; L645-F686 HydrophobicContact CG-CE2 3.89Å; L645-F686 HydrophobicContact CG-CZ 4.35Å; L645-Y697 HydrophobicContact CD1-CD1 3.72Å; L645-Y697 HydrophobicContact CD1-CD2 3.91Å; L645-Y697 HydrophobicContact CD1-CE1 4.25Å; L645-Y697 HydrophobicContact CD1-CE2 4.45Å; L645-Y697 HydrophobicContact CD1-CG 3.54Å; L645-Y711 HydrophobicContact CD2-CD1 3.78Å; L645-Y711 HydrophobicContact CD2-CE1 4.3Å; L645-Y711 HydrophobicContact CD2-CG 4.29Å
646G77Confident67.7Low10 Ų1062 Ų6210%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-118.6131.8-17700000112.8I633 K634I633-G646 WeakPolarHBondContact CA-O 3.49Å; K634-G646 PolarHBondContact N-O 3.45Å; K634-G646 PolarHBondContact O-N 3.46Å
647Y75.7Confident67.2Low6 Ų667.9 Ų67.92%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-120.9141.9175.2-177.9-102.4000110.6K631 I633 A649 F658 R681 S682 V699K631-Y647 WeakPolarHBondContact O-CD2 3.45Å; K631-Y647 WeakPolarHBondContact O-CE2 3.4Å; I633-Y647 HydrophobicContact CG1-CD2 4.04Å; Y647-A649 HydrophobicContact CE1-CB 4.19Å; Y647-F658 AromaticContact CD1-CD1 3.83Å; Y647-F658 HydrophobicContact CD1-CD1 3.83Å; Y647-F658 AromaticContact CD1-CE1 3.52Å; Y647-F658 HydrophobicContact CD1-CE1 3.52Å; Y647-F658 HydrophobicContact CD1-CZ 4.5Å; Y647-F658 HydrophobicContact CE1-CD1 4.05Å; Y647-F658 AromaticContact CE1-CE1 3.6Å; Y647-F658 HydrophobicContact CE1-CE1 3.6Å; Y647-R681 CarbonylContact O-C 3.57Å; Y647-R681 VanDerWaalsContact O-CA 3.24Å; Y647-R681 WeakPolarHBondContact O-CA 3.19Å; Y647-R681 WeakPolarHBondContact O-CG 2.99Å; Y647-S682 PolarHBondContact N-O 2.78Å; Y647-S682 PolarHBondContact O-N 3.26Å; Y647-V699 HydrophobicContact CD1-CG1 3.94Å; Y647-V699 HydrophobicContact CD1-CG2 4.18Å; Y647-V699 HydrophobicContact CD2-CG1 3.37Å; Y647-V699 HydrophobicContact CE1-CG1 4.28Å; Y647-V699 HydrophobicContact CE2-CG1 3.73Å; Y647-V699 HydrophobicContact CG-CB 4.47Å; Y647-V699 HydrophobicContact CG-CG1 3.47Å; Y647-V699 VanDerWaalsContact CG-CG1 3.47Å; Y647-V699 HydrophobicContact CG-CG2 4.28Å
648E71.1Confident67.1Low73 Ų7367.2 Ų67.234%0.34135%0.348SS..EExtended strand (participates in β ladder)trans-133.2118-179.9-169.9-175.8-164.500110.2K631 N680 R681K631-E648 WeakPolarHBondContact CB-O 3.15Å; K631-E648 HydrophobicContact CD-CB 4.04Å; K631-E648 HydrophobicContact CD-CG 4.37Å; K631-E648 WeakPolarHBondContact CD-O 3.19Å; K631-E648 VanDerWaalsContact NZ-CD 3.25Å; K631-E648 IonicContact NZ-OE1 3.84Å; K631-E648 IonicContact NZ-OE2 3.39Å; K631-E648 PolarHBondContact NZ-OE2 2.9Å; E648-N680 CarbonylContact C-O 3.53Å; E648-N680 VanDerWaalsContact CA-O 3.31Å; E648-N680 WeakPolarHBondContact CA-O 3.45Å; E648-R681 HydrophobicContact CG-CB 4.44Å
649A60.7Low67.1Low5 Ų568.3 Ų68.34%0.04135%0.353CS..  trans-88.6147.1177.700000111.5Y647 M652 F658 N680 M701Y647-A649 HydrophobicContact CE1-CB 4.19Å; A649-M652 HydrophobicContact CB-CE 4.2Å; A649-M652 HydrophobicContact CB-CG 3.98Å; A649-M652 HydrophobicContact CB-SD 4.16Å; A649-F658 HydrophobicContact CB-CE1 3.93Å; A649-F658 HydrophobicContact CB-CZ 3.92Å; A649-N680 PolarHBondContact N-O 2.82Å; A649-M701 HydrophobicContact CB-SD 4.23Å
650V53.4Low67.7Low95 Ų9561 Ų6158%0.57631%0.314SS*.SBendtrans-86.8-33.2-175.8-178.10000112.3K631K631-V650 HydrophobicContact CD-CG2 4.48Å; K631-V650 HydrophobicContact CG-CG2 4.3Å
651E55.8Low68.1Low175 Ų17555.6 Ų55.682%0.81829%0.287SS*.  trans-145.5139.2175.4-70.5-176161.400110.4
652M51.7Low68.6Low39 Ų3957.4 Ų57.419%0.19229%0.294CS..  trans-138.7149.1177.4-62.9-164.3112.700110.9A649 F658 M701A649-M652 HydrophobicContact CB-CE 4.2Å; A649-M652 HydrophobicContact CB-CG 3.98Å; A649-M652 HydrophobicContact CB-SD 4.16Å; M652-F658 HydrophobicContact CE-CD1 3.96Å; M652-F658 HydrophobicContact CE-CD2 3.96Å; M652-F658 HydrophobicContact CE-CE1 3.31Å; M652-F658 HydrophobicContact CE-CE2 3.39Å; M652-F658 HydrophobicContact CE-CG 4.27Å; M652-F658 HydrophobicContact CE-CZ 3.05Å; M652-F658 HydrophobicContact SD-CE1 4.17Å; M652-F658 HydrophobicContact SD-CE2 3.53Å; M652-F658 VanDerWaalsContact SD-CE2 3.53Å; M652-F658 HydrophobicContact SD-CZ 3.32Å; M652-F658 WeakPolarHBondContact SD-CZ 3.21Å; M652-M701 HydrophobicContact CE-CE 3.48Å; M652-M701 VanDerWaalsContact CE-CE 3.48Å; M652-M701 HydrophobicContact CE-CG 3.82Å; M652-M701 HydrophobicContact CE-SD 3.74Å; M652-M701 HydrophobicContact CG-CE 4.05Å
653N58.9Low68.2Low115 Ų11558.7 Ų58.762%0.61530%0.304SS*.  trans-76.7158.8163.6-62.1-47000109D655 S656 D703N653-D655 PolarHBondContact O-N 3.11Å; N653-S656 PolarHBondContact N-OG 2.85Å; N653-S656 PolarHBondContact O-N 3.25Å; N653-S656 PolarHBondContact O-OG 3.42Å; N653-D703 PolarHBondContact ND2-OD2 2.92Å; N653-D703 VanDerWaalsContact ND2-OD2 3.12Å
654D57.8Low66.8Low134 Ų13467.6 Ų67.672%0.71734%0.339SS*.THydrogen-bonded Turntrans-64.7-12.2-176.2-76.4-29.1000113.9K679D654-K679 WeakPolarHBondContact OD1-CE 3.49Å; D654-K679 IonicContact OD1-NZ 2.7Å; D654-K679 PolarHBondContact OD1-NZ 2.92Å
655D59.5Low65.1Low154 Ų15470.2 Ų70.282%0.82436%0.358SS*.THydrogen-bonded Turntrans-112.87.2-178.1-61.4-40.1000114.5N653N653-D655 PolarHBondContact O-N 3.11Å
656S64.2Low63.4Low21 Ų2177.6 Ų77.615%0.14739%0.393CS..  trans-74.4132.9-178-47.30000112.1N653 D703N653-S656 PolarHBondContact N-OG 2.85Å; N653-S656 PolarHBondContact O-N 3.25Å; N653-S656 PolarHBondContact O-OG 3.42Å; S656-D703 WeakPolarHBondContact CB-OD1 3.43Å; S656-D703 PolarHBondContact OG-OD1 3.07Å; S656-D703 PolarHBondContact OG-OD2 3.09Å
657E68.4Low62.1Low136 Ų13680.8 Ų80.864%0.63641%0.412SS*.  trans-113.2145.1176.6-66.3-172.8162.100111.5M701 S702E657-M701 CarbonylContact O-C 3.59Å; E657-M701 WeakPolarHBondContact O-CA 3.29Å; E657-S702 PolarHBondContact N-OG 3.08Å; E657-S702 PolarHBondContact O-N 3.44Å; E657-S702 PolarHBondContact O-OG 3.39Å
658F73.9Confident61.3Low23 Ų2382.2 Ų82.210%0.10142%0.42CS..EExtended strand (participates in β ladder)trans-93.9130.1174.3-62.5-87.3000111.2Y647 A649 M652 T677 V699 M701Y647-F658 AromaticContact CD1-CD1 3.83Å; Y647-F658 HydrophobicContact CD1-CD1 3.83Å; Y647-F658 AromaticContact CD1-CE1 3.52Å; Y647-F658 HydrophobicContact CD1-CE1 3.52Å; Y647-F658 HydrophobicContact CD1-CZ 4.5Å; Y647-F658 HydrophobicContact CE1-CD1 4.05Å; Y647-F658 AromaticContact CE1-CE1 3.6Å; Y647-F658 HydrophobicContact CE1-CE1 3.6Å; A649-F658 HydrophobicContact CB-CE1 3.93Å; A649-F658 HydrophobicContact CB-CZ 3.92Å; M652-F658 HydrophobicContact CE-CD1 3.96Å; M652-F658 HydrophobicContact CE-CD2 3.96Å; M652-F658 HydrophobicContact CE-CE1 3.31Å; M652-F658 HydrophobicContact CE-CE2 3.39Å; M652-F658 HydrophobicContact CE-CG 4.27Å; M652-F658 HydrophobicContact CE-CZ 3.05Å; M652-F658 HydrophobicContact SD-CE1 4.17Å; M652-F658 HydrophobicContact SD-CE2 3.53Å; M652-F658 VanDerWaalsContact SD-CE2 3.53Å; M652-F658 HydrophobicContact SD-CZ 3.32Å; M652-F658 WeakPolarHBondContact SD-CZ 3.21Å; F658-T677 HydrophobicContact CD2-CG2 3.43Å; F658-T677 VanDerWaalsContact CD2-CG2 3.43Å; F658-T677 HydrophobicContact CE2-CG2 3.85Å; F658-V699 HydrophobicContact CB-CG2 4.36Å; F658-V699 HydrophobicContact CD1-CG2 4.26Å; F658-M701 HydrophobicContact CD1-CG 4.24Å; F658-M701 HydrophobicContact CE1-CG 4.28Å
659I73.3Confident60.2Low65 Ų6585.5 Ų85.533%0.33344%0.439SS..EExtended strand (participates in β ladder)trans-116.4111.6-179.1-54.4176.7000108P667 V699 E700I659-P667 HydrophobicContact CG2-CB 3.95Å; I659-P667 HydrophobicContact CG2-CG 4.23Å; I659-V699 WeakPolarHBondContact O-CA 3.37Å; I659-E700 PolarHBondContact N-O 3.17Å; I659-E700 PolarHBondContact O-N 2.83Å
660W78.1Confident59.6Low8 Ų887.5 Ų87.53%0.0345%0.453CS..EExtended strand (participates in β ladder)trans-90.7124.3174-76.191.2000110.7I633 L645 P667 I668 S682 L684 T698 V699I633-W660 HydrophobicContact CB-CH2 4.46Å; I633-W660 HydrophobicContact CD1-CH2 4.01Å; I633-W660 HydrophobicContact CD1-CZ3 3.7Å; I633-W660 HydrophobicContact CG1-CH2 3.86Å; I633-W660 HydrophobicContact CG1-CZ3 4.09Å; I633-W660 HydrophobicContact CG2-CH2 3.78Å; I633-W660 HydrophobicContact CG2-CZ3 4.12Å; L645-W660 HydrophobicContact CB-CH2 3.93Å; L645-W660 HydrophobicContact CB-CZ3 4.1Å; L645-W660 HydrophobicContact CD1-CZ3 4.46Å; W660-P667 CarbonylContact O-C 3.56Å; W660-P667 WeakPolarHBondContact O-CA 3.46Å; W660-I668 HydrophobicContact CB-CD1 4.09Å; W660-I668 HydrophobicContact CB-CG1 4.46Å; W660-I668 WeakPolarHBondContact O-CG1 2.79Å; W660-I668 PolarHBondContact O-N 3.42Å; W660-S682 PolarHBondContact NE1-OG 2.78Å; W660-L684 HydrophobicContact CD2-CB 4.26Å; W660-L684 HydrophobicContact CD2-CD2 4.46Å; W660-L684 HydrophobicContact CE3-CD2 4.33Å; W660-T698 CarbonylContact C-O 3.56Å; W660-T698 VanDerWaalsContact CA-O 3.27Å; W660-T698 WeakPolarHBondContact CA-O 3.35Å; W660-V699 HydrophobicContact CD2-CB 3.87Å; W660-V699 HydrophobicContact CD2-CG2 3.89Å; W660-V699 HydrophobicContact CE3-CB 3.88Å; W660-V699 HydrophobicContact CE3-CG2 4.42Å; W660-V699 HydrophobicContact CG-CB 4.5Å; W660-V699 HydrophobicContact CG-CG2 4.21Å; W660-V699 HydrophobicContact CH2-CB 4.15Å; W660-V699 HydrophobicContact CH2-CG1 4.39Å; W660-V699 HydrophobicContact CZ2-CB 4.13Å; W660-V699 HydrophobicContact CZ2-CG2 4.06Å; W660-V699 HydrophobicContact CZ3-CB 4.03Å
661G70.6Confident59.1Low7 Ų790.2 Ų90.27%0.07246%0.459CS..EExtended strand (participates in β ladder)trans-117.6159.917500000112.7Y697 T698G661-Y697 CarbonylContact O-C 3.56Å; G661-Y697 WeakPolarHBondContact O-CA 3.31Å; G661-T698 PolarHBondContact N-O 3.28Å; G661-T698 PolarHBondContact O-N 2.91Å; G661-T698 PolarHBondContact O-OG1 2.79Å
662K74.3Confident58.7Low38 Ų3887.1 Ų87.117%0.16544%0.44CS..EExtended strand (participates in β ladder)trans-127.5135.2176.3-175.1-179.6178.51730111Y664 T665 I668 E692 D693 L694 L696 Y697K662-Y664 PolarHBondContact O-N 2.89Å; K662-Y664 VanDerWaalsContact O-N 3.14Å; K662-T665 PolarHBondContact N-O 2.82Å; K662-T665 PolarHBondContact O-N 3.28Å; K662-T665 PolarHBondContact O-OG1 3.12Å; K662-I668 HydrophobicContact CB-CD1 4.22Å; K662-I668 HydrophobicContact CB-CG1 4.29Å; K662-E692 PolarHBondContact NZ-O 2.97Å; K662-D693 VanDerWaalsContact NZ-CA 3.25Å; K662-D693 PolarHBondContact NZ-O 3.44Å; K662-L694 WeakPolarHBondContact CE-O 3.23Å; K662-L694 PolarHBondContact NZ-O 3.41Å; K662-L696 CarbonylContact C-O 3.53Å; K662-L696 VanDerWaalsContact CA-O 3.31Å; K662-L696 WeakPolarHBondContact CA-O 3.33Å; K662-Y697 HydrophobicContact CB-CE1 4.44Å; K662-Y697 HydrophobicContact CD-CE1 4.19Å; K662-Y697 HydrophobicContact CD-CE2 4.36Å; K662-Y697 HydrophobicContact CG-CE1 4.35Å; K662-Y697 HydrophobicContact CG-CE2 4.44Å; K662-Y697 PolarHBondContact NZ-OH 3.46Å
663N65.3Low58.9Low84 Ų8486.1 Ų86.145%0.44944%0.436SS..THydrogen-bonded Turntrans47.340.9177.9-65.7-31.9000113.3T665 G695 L696N663-T665 PolarHBondContact O-N 2.92Å; N663-G695 WeakPolarHBondContact OD1-CA 3.41Å; N663-L696 PolarHBondContact N-O 3.48Å; N663-L696 PolarHBondContact OD1-N 2.77Å
664Y49Very low58.7Low188 Ų18886.9 Ų86.974%0.73743%0.434SS*.THydrogen-bonded Turntrans61.824.8-177.4-47.1-84000114.8K662 L696K662-Y664 PolarHBondContact O-N 2.89Å; K662-Y664 VanDerWaalsContact O-N 3.14Å; Y664-L696 HydrophobicContact CD2-CD2 4.44Å; Y664-L696 HydrophobicContact CE1-CD2 3.88Å; Y664-L696 HydrophobicContact CE2-CD2 3.6Å; Y664-L696 WeakPolarHBondContact OH-CD2 3.45Å
665T46.4Very low58.8Low98 Ų9883 Ų8360%0.60142%0.421SS*.BIsolated β-bridgetrans-113.3154.8171.255.90000112.2K662 N663K662-T665 PolarHBondContact N-O 2.82Å; K662-T665 PolarHBondContact O-N 3.28Å; K662-T665 PolarHBondContact O-OG1 3.12Å; N663-T665 PolarHBondContact O-N 2.92Å
666E46.8Very low59.1Low155 Ų15580.5 Ų80.572%0.72440%0.404SS*.SBendtrans-46.9165.6-174.7-94.8-176.4-15300116.3
667P49.3Very low59.1Low78 Ų7883.3 Ų83.351%0.50642%0.42SS..  trans-52.8142.8-159.811.4-27.8000116.9I659 W660 D669I659-P667 HydrophobicContact CG2-CB 3.95Å; I659-P667 HydrophobicContact CG2-CG 4.23Å; W660-P667 CarbonylContact O-C 3.56Å; W660-P667 WeakPolarHBondContact O-CA 3.46Å; P667-D669 PolarHBondContact O-N 2.72Å
668I58.3Low59Low36 Ų3680.7 Ų80.719%0.18541%0.414CS..  trans-69.989.5177.6-56.8171.7000109.4W660 K662 T673 L684 Y697W660-I668 HydrophobicContact CB-CD1 4.09Å; W660-I668 HydrophobicContact CB-CG1 4.46Å; W660-I668 WeakPolarHBondContact O-CG1 2.79Å; W660-I668 PolarHBondContact O-N 3.42Å; K662-I668 HydrophobicContact CB-CD1 4.22Å; K662-I668 HydrophobicContact CB-CG1 4.29Å; I668-T673 HydrophobicContact CG2-CG2 4.13Å; I668-T673 VanDerWaalsContact CG2-OG1 3.25Å; I668-T673 WeakPolarHBondContact CG2-OG1 3.46Å; I668-L684 HydrophobicContact CD1-CD2 3.52Å; I668-L684 HydrophobicContact CG2-CD1 4.15Å; I668-Y697 HydrophobicContact CD1-CD1 3.48Å; I668-Y697 VanDerWaalsContact CD1-CD1 3.48Å; I668-Y697 HydrophobicContact CD1-CE1 3.49Å; I668-Y697 VanDerWaalsContact CD1-CE1 3.49Å
669D48.4Very low58.4Low142 Ų14286.5 Ų86.576%0.75944%0.439SS*.  trans-110.386.8163.1-170.513.5000109P667P667-D669 PolarHBondContact O-N 2.72Å
670S48Very low58.1Low47 Ų4787 Ų8733%0.32944%0.442SS..  trans-123.1145.2174.2100.40000110.1R672 T673S670-R672 PolarHBondContact O-N 3.3Å; S670-R672 PolarHBondContact OG-N 2.97Å; S670-T673 PolarHBondContact O-N 3.31Å; S670-T673 VanDerWaalsContact O-N 3.15Å; S670-T673 VanDerWaalsContact O-O 3.05Å; S670-T673 PolarHBondContact O-OG1 3.26Å; S670-T673 PolarHBondContact OG-N 3.26Å; S670-T673 PolarHBondContact OG-OG1 2.94Å
671Q42.3Very low57.9Low151 Ų15192.4 Ų92.471%0.70646%0.463SS*.THydrogen-bonded Turntrans-62.7-8.2176.5-65.4-169.518.800114.6
672R48.5Very low58.3Low111 Ų11192.1 Ų92.142%0.41946%0.459SS..THydrogen-bonded Turntrans-103.7-6.8-177.8-63-179.667.8172.90.1113.2S670 K687 D688S670-R672 PolarHBondContact O-N 3.3Å; S670-R672 PolarHBondContact OG-N 2.97Å; R672-K687 PolarHBondContact O-N 3.2Å; R672-D688 PolarHBondContact NH2-O 3.32Å
673T55.3Low58.4Low17 Ų1790.9 Ų90.910%0.10446%0.455CS..EExtended strand (participates in β ladder)trans-126120.4-177.949.10000109.9I668 S670 T685 F686I668-T673 HydrophobicContact CG2-CG2 4.13Å; I668-T673 VanDerWaalsContact CG2-OG1 3.25Å; I668-T673 WeakPolarHBondContact CG2-OG1 3.46Å; S670-T673 PolarHBondContact O-N 3.31Å; S670-T673 VanDerWaalsContact O-N 3.15Å; S670-T673 VanDerWaalsContact O-O 3.05Å; S670-T673 PolarHBondContact O-OG1 3.26Å; S670-T673 PolarHBondContact OG-N 3.26Å; S670-T673 PolarHBondContact OG-OG1 2.94Å; T673-T685 VanDerWaalsContact CA-O 3.23Å; T673-T685 WeakPolarHBondContact CA-O 3.47Å; T673-F686 HydrophobicContact CG2-CD1 3.76Å; T673-F686 HydrophobicContact CG2-CE1 3.95Å
674K55.7Low59.1Low132 Ų13286.9 Ų86.957%0.57443%0.433SS*.EExtended strand (participates in β ladder)trans-107.1116.6175.6-167-175.4179.1-160.10108.7E676 T685K674-E676 HydrophobicContact CD-CG 4.15Å; K674-E676 VanDerWaalsContact CE-OE1 3.29Å; K674-E676 WeakPolarHBondContact CE-OE1 3.37Å; K674-E676 HydrophobicContact CG-CG 4.23Å; K674-E676 IonicContact NZ-OE1 2.78Å; K674-E676 PolarHBondContact NZ-OE1 3.32Å; K674-T685 PolarHBondContact N-O 2.78Å; K674-T685 VanDerWaalsContact N-O 3.11Å; K674-T685 PolarHBondContact O-N 3.05Å
675A60Low60.4Low52 Ų5279.1 Ų79.143%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-86.3111.5169.900000109.1V683 L684A675-V683 CarbonylContact C-O 3.47Å; A675-V683 VanDerWaalsContact CA-O 3.22Å; A675-V683 WeakPolarHBondContact CA-O 3.46Å; A675-L684 HydrophobicContact CB-CD1 4.18Å
676E65.2Low62Low102 Ų10274.5 Ų74.548%0.47738%0.377SS..EExtended strand (participates in β ladder)trans-100.3114.9172.4-65.5-169.1170.400109.5K674 S682 V683K674-E676 HydrophobicContact CD-CG 4.15Å; K674-E676 VanDerWaalsContact CE-OE1 3.29Å; K674-E676 WeakPolarHBondContact CE-OE1 3.37Å; K674-E676 HydrophobicContact CG-CG 4.23Å; K674-E676 IonicContact NZ-OE1 2.78Å; K674-E676 PolarHBondContact NZ-OE1 3.32Å; E676-S682 CarbonylContact O-C 3.46Å; E676-S682 WeakPolarHBondContact O-CA 3.45Å; E676-V683 PolarHBondContact N-O 2.98Å; E676-V683 PolarHBondContact O-N 2.72Å
677T64.7Low62.6Low79 Ų7973.5 Ų73.549%0.48537%0.37SS..EExtended strand (participates in β ladder)trans-112.9134.1-176.7-62.60000110.6F658 R681 S682F658-T677 HydrophobicContact CD2-CG2 3.43Å; F658-T677 VanDerWaalsContact CD2-CG2 3.43Å; F658-T677 HydrophobicContact CE2-CG2 3.85Å; T677-R681 CarbonylContact C-O 3.59Å; T677-R681 WeakPolarHBondContact CA-O 3.46Å; T677-S682 PolarHBondContact OG1-OG 3.38Å
678T64.9Low63.3Low82 Ų8274.1 Ų74.150%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-119.3174.3169.760.30000108.7N680 R681T678-N680 PolarHBondContact O-N 2.73Å; T678-R681 PolarHBondContact N-O 3.36Å; T678-R681 PolarHBondContact O-N 2.68Å; T678-R681 WeakPolarHBondContact OG1-CB 3.36Å; T678-R681 PolarHBondContact OG1-N 3.12Å; T678-R681 PolarHBondContact OG1-O 3.33Å; T678-R681 VanDerWaalsContact OG1-O 3.1Å
679K61.9Low63.8Low145 Ų14573 Ų7363%0.6336%0.364SS*.THydrogen-bonded Turntrans-52.8-23.8-173.8-172.7170.1-174.7168.20114.8D654D654-K679 WeakPolarHBondContact OD1-CE 3.49Å; D654-K679 IonicContact OD1-NZ 2.7Å; D654-K679 PolarHBondContact OD1-NZ 2.92Å
680N67.8Low65Low74 Ų7467.5 Ų67.540%0.39634%0.338SS..THydrogen-bonded Turntrans-139.38.2-178.168.1-26.9000114E648 A649 T678E648-N680 CarbonylContact C-O 3.53Å; E648-N680 VanDerWaalsContact CA-O 3.31Å; E648-N680 WeakPolarHBondContact CA-O 3.45Å; A649-N680 PolarHBondContact N-O 2.82Å; T678-N680 PolarHBondContact O-N 2.73Å
681R74.1Confident66.2Low123 Ų12372.8 Ų72.846%0.46436%0.357SS..EExtended strand (participates in β ladder)trans-145.9137.4-176.2169-175167.8-173.8-3.7110.9Y647 E648 T677 T678 V683Y647-R681 CarbonylContact O-C 3.57Å; Y647-R681 VanDerWaalsContact O-CA 3.24Å; Y647-R681 WeakPolarHBondContact O-CA 3.19Å; Y647-R681 WeakPolarHBondContact O-CG 2.99Å; E648-R681 HydrophobicContact CG-CB 4.44Å; T677-R681 CarbonylContact C-O 3.59Å; T677-R681 WeakPolarHBondContact CA-O 3.46Å; T678-R681 PolarHBondContact N-O 3.36Å; T678-R681 PolarHBondContact O-N 2.68Å; T678-R681 WeakPolarHBondContact OG1-CB 3.36Å; T678-R681 PolarHBondContact OG1-N 3.12Å; T678-R681 PolarHBondContact OG1-O 3.33Å; T678-R681 VanDerWaalsContact OG1-O 3.1Å; R681-V683 HydrophobicContact CG-CG2 4.04Å
682S77.8Confident67.5Low0 Ų073.1 Ų73.10%036%0.358CS..EExtended strand (participates in β ladder)trans-125.8134.9171.9-170.30000110.6Y647 W660 E676 T677Y647-S682 PolarHBondContact N-O 2.78Å; Y647-S682 PolarHBondContact O-N 3.26Å; W660-S682 PolarHBondContact NE1-OG 2.78Å; E676-S682 CarbonylContact O-C 3.46Å; E676-S682 WeakPolarHBondContact O-CA 3.45Å; T677-S682 PolarHBondContact OG1-OG 3.38Å
683V77.1Confident68.7Low12 Ų1268.8 Ų68.87%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-128.6122.8-176.9-177.20000109.9F644 L645 A675 E676 R681F644-V683 HydrophobicContact CB-CG1 3.8Å; F644-V683 HydrophobicContact CD2-CG1 3.7Å; F644-V683 HydrophobicContact CG-CG1 3.96Å; L645-V683 CarbonylContact O-C 3.49Å; L645-V683 WeakPolarHBondContact O-CA 3Å; A675-V683 CarbonylContact C-O 3.47Å; A675-V683 VanDerWaalsContact CA-O 3.22Å; A675-V683 WeakPolarHBondContact CA-O 3.46Å; E676-V683 PolarHBondContact N-O 2.98Å; E676-V683 PolarHBondContact O-N 2.72Å; R681-V683 HydrophobicContact CG-CG2 4.04Å
684L80.3Confident69.6Low0 Ų070 Ų700%035%0.349CS..EExtended strand (participates in β ladder)trans-100.8108.8174.7-173.374.1000110.1F644 L645 W660 I668 A675 F686 Y697F644-L684 CarbonylContact C-O 3.57Å; F644-L684 WeakPolarHBondContact CA-O 3Å; L645-L684 HydrophobicContact CB-CB 4.36Å; L645-L684 HydrophobicContact CD1-CD2 4.39Å; L645-L684 PolarHBondContact N-O 3.39Å; L645-L684 PolarHBondContact O-N 3.42Å; W660-L684 HydrophobicContact CD2-CB 4.26Å; W660-L684 HydrophobicContact CD2-CD2 4.46Å; W660-L684 HydrophobicContact CE3-CD2 4.33Å; I668-L684 HydrophobicContact CD1-CD2 3.52Å; I668-L684 HydrophobicContact CG2-CD1 4.15Å; A675-L684 HydrophobicContact CB-CD1 4.18Å; L684-F686 HydrophobicContact CD2-CE1 4.48Å; L684-F686 HydrophobicContact CD2-CZ 4.01Å; L684-Y697 HydrophobicContact CD2-CD1 3.82Å; L684-Y697 HydrophobicContact CD2-CE1 3.86Å
685T76.1Confident70.4Confident25 Ų2564.4 Ų64.415%0.15333%0.329CS..EExtended strand (participates in β ladder)trans-100.9134.1-178.4-55.30000112F642 I643 F644 T673 K674F642-T685 HydrophobicContact CB-CG2 3.54Å; F642-T685 HydrophobicContact CG-CG2 4.31Å; I643-T685 CarbonylContact O-C 3.39Å; I643-T685 WeakPolarHBondContact O-CA 3.22Å; F644-T685 HydrophobicContact CB-CG2 4.48Å; T673-T685 VanDerWaalsContact CA-O 3.23Å; T673-T685 WeakPolarHBondContact CA-O 3.47Å; K674-T685 PolarHBondContact N-O 2.78Å; K674-T685 VanDerWaalsContact N-O 3.11Å; K674-T685 PolarHBondContact O-N 3.05Å
686F78.9Confident71.1Confident2 Ų263 Ų631%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-99.3127.3179.5-57.9-89.1000112.2I643 L645 T673 L684 P689 D693 Y697I643-F686 HydrophobicContact CG2-CD2 4.19Å; I643-F686 WeakPolarHBondContact O-CD2 3.04Å; I643-F686 PolarHBondContact O-N 3.13Å; L645-F686 HydrophobicContact CD1-CE2 3.79Å; L645-F686 HydrophobicContact CD1-CZ 3.72Å; L645-F686 HydrophobicContact CG-CE2 3.89Å; L645-F686 HydrophobicContact CG-CZ 4.35Å; T673-F686 HydrophobicContact CG2-CD1 3.76Å; T673-F686 HydrophobicContact CG2-CE1 3.95Å; L684-F686 HydrophobicContact CD2-CE1 4.48Å; L684-F686 HydrophobicContact CD2-CZ 4.01Å; F686-P689 HydrophobicContact CB-CB 4Å; F686-P689 HydrophobicContact CB-CG 4.23Å; F686-P689 HydrophobicContact CG-CB 4.45Å; F686-D693 HydrophobicContact CD1-CB 4.4Å; F686-D693 HydrophobicContact CE1-CB 4.41Å; F686-Y697 AromaticContact CE1-CE1 3.97Å; F686-Y697 HydrophobicContact CE1-CE1 3.97Å; F686-Y697 AromaticContact CE1-CZ 3.85Å; F686-Y697 WeakPolarHBondContact CE1-OH 3.16Å; F686-Y697 HydrophobicContact CZ-CD1 4.47Å; F686-Y697 AromaticContact CZ-CE1 3.74Å; F686-Y697 HydrophobicContact CZ-CE1 3.74Å; F686-Y697 HydrophobicContact CZ-CE2 4.44Å; F686-Y697 AromaticContact CZ-CZ 3.75Å
687K59.9Low71.7Confident133 Ų13358.4 Ų58.458%0.57829%0.292SS*.SBendtrans-94.6103.5172.3-160.9172.9-176.2179.70110.1F642 R672F642-K687 HydrophobicContact CD1-CG 4.44Å; F642-K687 HydrophobicContact CE1-CG 3.99Å; R672-K687 PolarHBondContact O-N 3.2Å
688D64.5Low72.1Confident92 Ų9255.3 Ų55.349%0.49227%0.274SS..SBendtrans56.173.2-176.4-59.7-31.7000113.4R672 R729R672-D688 PolarHBondContact NH2-O 3.32Å; D688-R729 IonicContact OD1-NH1 3.89Å; D688-R729 PolarHBondContact OD1-NH1 3.34Å
689P68.6Low72.6Confident11 Ų1151.4 Ų51.47%0.07125%0.25CC..  trans-67.5153.2-174.625.9-32000113I643 F686 D693 L718 K722I643-P689 HydrophobicContact CB-CG 4.21Å; I643-P689 HydrophobicContact CD1-CG 3.34Å; I643-P689 HydrophobicContact CG1-CG 4.25Å; F686-P689 HydrophobicContact CB-CB 4Å; F686-P689 HydrophobicContact CB-CG 4.23Å; F686-P689 HydrophobicContact CG-CB 4.45Å; P689-D693 VanDerWaalsContact CA-OD2 3.3Å; P689-D693 WeakPolarHBondContact CA-OD2 3.32Å; P689-D693 HydrophobicContact CB-CB 4.4Å; P689-L718 HydrophobicContact CB-CD1 3.64Å; P689-L718 HydrophobicContact CG-CD1 3.8Å; P689-K722 WeakPolarHBondContact O-CE 3.29Å; P689-K722 PolarHBondContact O-NZ 3.5Å
690S72.8Confident73.2Confident28 Ų2847.9 Ų47.920%0.19624%0.236CC..  trans-138176.6-172.765.20000111.1E692 D693 L718S690-E692 PolarHBondContact O-N 2.71Å; S690-E692 PolarHBondContact OG-N 2.97Å; S690-D693 PolarHBondContact N-OD2 3.34Å; S690-D693 WeakPolarHBondContact O-CB 3.48Å; S690-D693 PolarHBondContact O-N 2.91Å; S690-D693 PolarHBondContact OG-OD2 2.58Å; S690-L718 VanDerWaalsContact C-CD2 3.5Å; S690-L718 WeakPolarHBondContact O-CD2 3.28Å
691E74.4Confident73.3Confident158 Ų15845 Ų4574%0.73822%0.219SC*.G310 helixtrans-61-23.8175.7-66.7-171.3172.200112.6D693 L694E691-D693 PolarHBondContact O-N 3.32Å; E691-L694 HydrophobicContact CB-CD1 4.3Å; E691-L694 HydrophobicContact CG-CD1 4.47Å; E691-L694 WeakPolarHBondContact O-CB 3.49Å; E691-L694 VanDerWaalsContact O-CG 3.31Å; E691-L694 WeakPolarHBondContact O-CG 3.4Å; E691-L694 PolarHBondContact O-N 2.96Å
692E68.5Low72.9Confident157 Ų15741.5 Ų41.573%0.73421%0.214SC*.G310 helixtrans-66.3-20.5173.9-59.3-176.5167.600112.6K662 S690K662-E692 PolarHBondContact NZ-O 2.97Å; S690-E692 PolarHBondContact O-N 2.71Å; S690-E692 PolarHBondContact OG-N 2.97Å
693D74.6Confident71.9Confident21 Ų2144.4 Ų44.411%0.11223%0.23CC..G310 helixtrans-85.7-9.1179.7-60.2-65.4000112.3K662 F686 P689 S690 E691 Y697 F713K662-D693 VanDerWaalsContact NZ-CA 3.25Å; K662-D693 PolarHBondContact NZ-O 3.44Å; F686-D693 HydrophobicContact CD1-CB 4.4Å; F686-D693 HydrophobicContact CE1-CB 4.41Å; P689-D693 VanDerWaalsContact CA-OD2 3.3Å; P689-D693 WeakPolarHBondContact CA-OD2 3.32Å; P689-D693 HydrophobicContact CB-CB 4.4Å; S690-D693 PolarHBondContact N-OD2 3.34Å; S690-D693 WeakPolarHBondContact O-CB 3.48Å; S690-D693 PolarHBondContact O-N 2.91Å; S690-D693 PolarHBondContact OG-OD2 2.58Å; E691-D693 PolarHBondContact O-N 3.32Å; D693-Y697 VanDerWaalsContact O-CE2 3.23Å; D693-Y697 WeakPolarHBondContact O-CE2 3.32Å; D693-Y697 PolarHBondContact O-OH 2.82Å; D693-F713 HydrophobicContact CB-CD1 4.5Å; D693-F713 HydrophobicContact CB-CE1 4.23Å; D693-F713 WeakPolarHBondContact O-CD1 3.5Å
694L74.5Confident70.8Confident42 Ų4245.3 Ų45.322%0.2224%0.236CC..  trans-66.8151.2176.3-57.1-179.8000112.2K662 E691 F713 T714 A715 L718K662-L694 WeakPolarHBondContact CE-O 3.23Å; K662-L694 PolarHBondContact NZ-O 3.41Å; E691-L694 HydrophobicContact CB-CD1 4.3Å; E691-L694 HydrophobicContact CG-CD1 4.47Å; E691-L694 WeakPolarHBondContact O-CB 3.49Å; E691-L694 VanDerWaalsContact O-CG 3.31Å; E691-L694 WeakPolarHBondContact O-CG 3.4Å; E691-L694 PolarHBondContact O-N 2.96Å; L694-F713 WeakPolarHBondContact CA-O 3.43Å; L694-F713 HydrophobicContact CD2-CD1 4.45Å; L694-F713 WeakPolarHBondContact CD2-O 3.36Å; L694-T714 VanDerWaalsContact CD2-O 3.28Å; L694-T714 WeakPolarHBondContact CD2-O 3.38Å; L694-A715 HydrophobicContact CD1-CB 3.9Å; L694-L718 HydrophobicContact CD2-CB 3.95Å; L694-L718 HydrophobicContact CD2-CD2 4.02Å; L694-L718 HydrophobicContact CG-CD2 4.46Å
695G72.9Confident69.5Low14 Ų1448.9 Ų48.914%0.14426%0.26CS..EExtended strand (participates in β ladder)trans133.9-178.4176.900000113.9N663 Y697 F713N663-G695 WeakPolarHBondContact OD1-CA 3.41Å; G695-Y697 VanDerWaalsContact O-CD2 3.3Å; G695-Y697 WeakPolarHBondContact O-CD2 3.46Å; G695-Y697 PolarHBondContact O-N 2.91Å; G695-F713 PolarHBondContact N-O 3.49Å; G695-F713 PolarHBondContact O-N 3.05Å
696L72.8Confident68.1Low24 Ų2455.6 Ų55.613%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-80.7115.4-178.2-173.367.9000110.8K662 N663 Y664 T698 E712K662-L696 CarbonylContact C-O 3.53Å; K662-L696 VanDerWaalsContact CA-O 3.31Å; K662-L696 WeakPolarHBondContact CA-O 3.33Å; N663-L696 PolarHBondContact N-O 3.48Å; N663-L696 PolarHBondContact OD1-N 2.77Å; Y664-L696 HydrophobicContact CD2-CD2 4.44Å; Y664-L696 HydrophobicContact CE1-CD2 3.88Å; Y664-L696 HydrophobicContact CE2-CD2 3.6Å; Y664-L696 WeakPolarHBondContact OH-CD2 3.45Å; L696-T698 HydrophobicContact CG-CG2 4.48Å; L696-E712 HydrophobicContact CD1-CB 4.14Å
697Y77.6Confident67Low4 Ų457.5 Ų57.52%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-91.8139.9170.2-70.6-99.8000109.3L645 G661 K662 I668 L684 F686 D693 G695 S710 Y711 F713L645-Y697 HydrophobicContact CD1-CD1 3.72Å; L645-Y697 HydrophobicContact CD1-CD2 3.91Å; L645-Y697 HydrophobicContact CD1-CE1 4.25Å; L645-Y697 HydrophobicContact CD1-CE2 4.45Å; L645-Y697 HydrophobicContact CD1-CG 3.54Å; G661-Y697 CarbonylContact O-C 3.56Å; G661-Y697 WeakPolarHBondContact O-CA 3.31Å; K662-Y697 HydrophobicContact CB-CE1 4.44Å; K662-Y697 HydrophobicContact CD-CE1 4.19Å; K662-Y697 HydrophobicContact CD-CE2 4.36Å; K662-Y697 HydrophobicContact CG-CE1 4.35Å; K662-Y697 HydrophobicContact CG-CE2 4.44Å; K662-Y697 PolarHBondContact NZ-OH 3.46Å; I668-Y697 HydrophobicContact CD1-CD1 3.48Å; I668-Y697 VanDerWaalsContact CD1-CD1 3.48Å; I668-Y697 HydrophobicContact CD1-CE1 3.49Å; I668-Y697 VanDerWaalsContact CD1-CE1 3.49Å; L684-Y697 HydrophobicContact CD2-CD1 3.82Å; L684-Y697 HydrophobicContact CD2-CE1 3.86Å; F686-Y697 AromaticContact CE1-CE1 3.97Å; F686-Y697 HydrophobicContact CE1-CE1 3.97Å; F686-Y697 AromaticContact CE1-CZ 3.85Å; F686-Y697 WeakPolarHBondContact CE1-OH 3.16Å; F686-Y697 HydrophobicContact CZ-CD1 4.47Å; F686-Y697 AromaticContact CZ-CE1 3.74Å; F686-Y697 HydrophobicContact CZ-CE1 3.74Å; F686-Y697 HydrophobicContact CZ-CE2 4.44Å; F686-Y697 AromaticContact CZ-CZ 3.75Å; D693-Y697 VanDerWaalsContact O-CE2 3.23Å; D693-Y697 WeakPolarHBondContact O-CE2 3.32Å; D693-Y697 PolarHBondContact O-OH 2.82Å; G695-Y697 VanDerWaalsContact O-CD2 3.3Å; G695-Y697 WeakPolarHBondContact O-CD2 3.46Å; G695-Y697 PolarHBondContact O-N 2.91Å; Y697-S710 CarbonylContact O-C 3.47Å; Y697-S710 WeakPolarHBondContact O-CA 3.37Å; Y697-Y711 PolarHBondContact N-O 3.24Å; Y697-Y711 PolarHBondContact O-N 3.06Å; Y697-F713 HydrophobicContact CD2-CB 3.84Å; Y697-F713 HydrophobicContact CE2-CB 3.7Å; Y697-F713 HydrophobicContact CE2-CD1 4.13Å; Y697-F713 HydrophobicContact CE2-CG 4.42Å
698T73.3Confident67Low15 Ų1553.9 Ų53.99%0.09229%0.291CS..EExtended strand (participates in β ladder)trans-128.1143.6178.345.10000108.3W660 G661 L696 S709W660-T698 CarbonylContact C-O 3.56Å; W660-T698 VanDerWaalsContact CA-O 3.27Å; W660-T698 WeakPolarHBondContact CA-O 3.35Å; G661-T698 PolarHBondContact N-O 3.28Å; G661-T698 PolarHBondContact O-N 2.91Å; G661-T698 PolarHBondContact O-OG1 2.79Å; L696-T698 HydrophobicContact CG-CG2 4.48Å; T698-S709 CarbonylContact C-O 3.19Å; T698-S709 VanDerWaalsContact CA-O 3.28Å; T698-S709 WeakPolarHBondContact CA-O 3.32Å
699V77.1Confident67.4Low0 Ų050.1 Ų50.10%027%0.272CS..EExtended strand (participates in β ladder)trans-128.2128.7170.566.70000108.4I633 Y647 F658 I659 W660 S708 S709I633-V699 HydrophobicContact CD1-CB 4.47Å; I633-V699 HydrophobicContact CD1-CG1 3.85Å; I633-V699 HydrophobicContact CG1-CG1 3.86Å; Y647-V699 HydrophobicContact CD1-CG1 3.94Å; Y647-V699 HydrophobicContact CD1-CG2 4.18Å; Y647-V699 HydrophobicContact CD2-CG1 3.37Å; Y647-V699 HydrophobicContact CE1-CG1 4.28Å; Y647-V699 HydrophobicContact CE2-CG1 3.73Å; Y647-V699 HydrophobicContact CG-CB 4.47Å; Y647-V699 HydrophobicContact CG-CG1 3.47Å; Y647-V699 VanDerWaalsContact CG-CG1 3.47Å; Y647-V699 HydrophobicContact CG-CG2 4.28Å; F658-V699 HydrophobicContact CB-CG2 4.36Å; F658-V699 HydrophobicContact CD1-CG2 4.26Å; I659-V699 WeakPolarHBondContact O-CA 3.37Å; W660-V699 HydrophobicContact CD2-CB 3.87Å; W660-V699 HydrophobicContact CD2-CG2 3.89Å; W660-V699 HydrophobicContact CE3-CB 3.88Å; W660-V699 HydrophobicContact CE3-CG2 4.42Å; W660-V699 HydrophobicContact CG-CB 4.5Å; W660-V699 HydrophobicContact CG-CG2 4.21Å; W660-V699 HydrophobicContact CH2-CB 4.15Å; W660-V699 HydrophobicContact CH2-CG1 4.39Å; W660-V699 HydrophobicContact CZ2-CB 4.13Å; W660-V699 HydrophobicContact CZ2-CG2 4.06Å; W660-V699 HydrophobicContact CZ3-CB 4.03Å; V699-S708 VanDerWaalsContact O-CA 3.32Å; V699-S708 WeakPolarHBondContact O-CA 3.26Å; V699-S709 PolarHBondContact N-O 2.87Å; V699-S709 PolarHBondContact O-N 3.04Å
700E74.6Confident67.6Low71 Ų7153.3 Ų53.333%0.33229%0.294SS..EExtended strand (participates in β ladder)trans-127.7150.6-178.2-46.1-163.615600109.9I659I659-E700 PolarHBondContact N-O 3.17Å; I659-E700 PolarHBondContact O-N 2.83Å
701M69.4Low67.9Low12 Ų1254.7 Ų54.76%0.05930%0.295CS..EExtended strand (participates in β ladder)trans-93.8132.5172.3-69.6175.350.300109.6A649 M652 E657 F658 D703 S704A649-M701 HydrophobicContact CB-SD 4.23Å; M652-M701 HydrophobicContact CE-CE 3.48Å; M652-M701 VanDerWaalsContact CE-CE 3.48Å; M652-M701 HydrophobicContact CE-CG 3.82Å; M652-M701 HydrophobicContact CE-SD 3.74Å; M652-M701 HydrophobicContact CG-CE 4.05Å; E657-M701 CarbonylContact O-C 3.59Å; E657-M701 WeakPolarHBondContact O-CA 3.29Å; F658-M701 HydrophobicContact CD1-CG 4.24Å; F658-M701 HydrophobicContact CE1-CG 4.28Å; M701-D703 PolarHBondContact O-N 2.94Å; M701-S704 CarbonylContact O-C 3.53Å; M701-S704 PolarHBondContact O-N 2.98Å
702S64.8Low68.2Low51 Ų5153.4 Ų53.436%0.35729%0.29SS..THydrogen-bonded Turntrans-59.9-30-17462.90000114.1E657E657-S702 PolarHBondContact N-OG 3.08Å; E657-S702 PolarHBondContact O-N 3.44Å; E657-S702 PolarHBondContact O-OG 3.39Å
703D58.1Low68.7Low61 Ų6146 Ų4633%0.32626%0.255SS..THydrogen-bonded Turntrans-96.2-5.2178.860-24000113.7N653 S656 M701N653-D703 PolarHBondContact ND2-OD2 2.92Å; N653-D703 VanDerWaalsContact ND2-OD2 3.12Å; S656-D703 WeakPolarHBondContact CB-OD1 3.43Å; S656-D703 PolarHBondContact OG-OD1 3.07Å; S656-D703 PolarHBondContact OG-OD2 3.09Å; M701-D703 PolarHBondContact O-N 2.94Å
704S52.9Low68.8Low30 Ų3047.3 Ų47.321%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-150.172.4175.9-750000112.3M701 Q706 L707M701-S704 CarbonylContact O-C 3.53Å; M701-S704 PolarHBondContact O-N 2.98Å; S704-Q706 PolarHBondContact O-N 2.75Å; S704-L707 PolarHBondContact O-N 2.87Å
705P53.5Low68.3Low75 Ų7548.2 Ų48.249%0.48728%0.277SS..EExtended strand (participates in β ladder)trans-60.4-22.2-177.2-20.731.4000113.9L707P705-L707 PolarHBondContact O-N 2.79Å
706Q46.6Very low68Low167 Ų16755.1 Ų55.178%0.7831%0.306SS*.EExtended strand (participates in β ladder)trans-69.2-10.3174.559.2-138.7-9.500114.7S704S704-Q706 PolarHBondContact O-N 2.75Å
707L55.4Low67.8Low42 Ų4254.6 Ų54.622%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-101.748.5175.5-66.3171.4000111.3P628 T630 S704 P705P628-L707 HydrophobicContact CB-CD2 4.25Å; T630-L707 HydrophobicContact CG2-CB 3.87Å; T630-L707 HydrophobicContact CG2-CD2 3.89Å; T630-L707 HydrophobicContact CG2-CG 4.47Å; S704-L707 PolarHBondContact O-N 2.87Å; P705-L707 PolarHBondContact O-N 2.79Å
708S61Low67.8Low57 Ų5754.8 Ų54.840%0.39930%0.304SS..EExtended strand (participates in β ladder)trans-82.9145.6178.664.30000112.3V699V699-S708 VanDerWaalsContact O-CA 3.32Å; V699-S708 WeakPolarHBondContact O-CA 3.26Å
709S71Confident67.3Low13 Ų1357 Ų579%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-123.6145170.4-69.40000109.6I633 T698 V699I633-S709 WeakPolarHBondContact CD1-O 3.21Å; T698-S709 CarbonylContact C-O 3.19Å; T698-S709 VanDerWaalsContact CA-O 3.28Å; T698-S709 WeakPolarHBondContact CA-O 3.32Å; V699-S709 PolarHBondContact N-O 2.87Å; V699-S709 PolarHBondContact O-N 3.04Å
710S74.6Confident67.5Low77 Ų7762.7 Ų62.754%0.53835%0.345SS..EExtended strand (participates in β ladder)trans-129.4143.7-17766.10000112.4Y697Y697-S710 CarbonylContact O-C 3.47Å; Y697-S710 WeakPolarHBondContact O-CA 3.37Å
711Y79Confident67.5Low57 Ų5759.5 Ų59.522%0.22433%0.331CS..EExtended strand (participates in β ladder)trans-135.8127.5173.1-176-86.4000110I633 I635 L645 Y697 F713 D717I633-Y711 HydrophobicContact CG2-CG 4.4Å; I635-Y711 HydrophobicContact CB-CE1 4.4Å; I635-Y711 HydrophobicContact CD1-CE1 3.95Å; I635-Y711 HydrophobicContact CG2-CE1 4.43Å; I635-Y711 HydrophobicContact CG2-CE2 4.5Å; L645-Y711 HydrophobicContact CD2-CD1 3.78Å; L645-Y711 HydrophobicContact CD2-CE1 4.3Å; L645-Y711 HydrophobicContact CD2-CG 4.29Å; Y697-Y711 PolarHBondContact N-O 3.24Å; Y697-Y711 PolarHBondContact O-N 3.06Å; Y711-F713 PolarHBondContact O-N 3.19Å; Y711-D717 VanDerWaalsContact OH-CG 3.28Å; Y711-D717 PolarHBondContact OH-OD1 3.03Å; Y711-D717 PolarHBondContact OH-OD2 3.05Å
712E80.9Confident67.5Low132 Ų13263.4 Ų63.462%0.61735%0.347SS*.EExtended strand (participates in β ladder)trans-86.6110.3176.3-170.2172.4-171.500109.7L696 T714L696-E712 HydrophobicContact CD1-CB 4.14Å; E712-T714 HydrophobicContact CG-CG2 4.26Å; E712-T714 PolarHBondContact O-N 2.78Å
713F77.1Confident67.2Low2 Ų266.4 Ų66.41%0.00936%0.356CS..EExtended strand (participates in β ladder)trans-81.8107.2176.3-173.4-150000109.6I635 D693 L694 G695 Y697 Y711 D717 L718 L721I635-F713 HydrophobicContact CD1-CD2 3.49Å; I635-F713 VanDerWaalsContact CD1-CD2 3.49Å; I635-F713 HydrophobicContact CD1-CE2 3.56Å; I635-F713 HydrophobicContact CD1-CG 4.37Å; I635-F713 HydrophobicContact CD1-CZ 4.46Å; D693-F713 HydrophobicContact CB-CD1 4.5Å; D693-F713 HydrophobicContact CB-CE1 4.23Å; D693-F713 WeakPolarHBondContact O-CD1 3.5Å; L694-F713 WeakPolarHBondContact CA-O 3.43Å; L694-F713 HydrophobicContact CD2-CD1 4.45Å; L694-F713 WeakPolarHBondContact CD2-O 3.36Å; G695-F713 PolarHBondContact N-O 3.49Å; G695-F713 PolarHBondContact O-N 3.05Å; Y697-F713 HydrophobicContact CD2-CB 3.84Å; Y697-F713 HydrophobicContact CE2-CB 3.7Å; Y697-F713 HydrophobicContact CE2-CD1 4.13Å; Y697-F713 HydrophobicContact CE2-CG 4.42Å; Y711-F713 PolarHBondContact O-N 3.19Å; F713-D717 HydrophobicContact CD2-CB 3.6Å; F713-D717 HydrophobicContact CE2-CB 3.6Å; F713-L718 HydrophobicContact CE1-CD1 4.29Å; F713-L718 HydrophobicContact CE2-CB 4.22Å; F713-L718 HydrophobicContact CZ-CB 4.01Å; F713-L718 HydrophobicContact CZ-CD1 3.83Å; F713-L721 HydrophobicContact CE2-CD1 4.15Å
714T77.3Confident67.3Low48 Ų4866.9 Ų66.929%0.29436%0.358SS..  trans-95.4163.2-17266.30000113L694 E712 E716 D717 L718L694-T714 VanDerWaalsContact CD2-O 3.28Å; L694-T714 WeakPolarHBondContact CD2-O 3.38Å; E712-T714 HydrophobicContact CG-CG2 4.26Å; E712-T714 PolarHBondContact O-N 2.78Å; T714-E716 PolarHBondContact O-N 3.09Å; T714-D717 PolarHBondContact N-OD2 3.21Å; T714-D717 PolarHBondContact O-N 2.86Å; T714-D717 VanDerWaalsContact OG1-CG 3.31Å; T714-D717 PolarHBondContact OG1-N 2.77Å; T714-D717 VanDerWaalsContact OG1-N 3.16Å; T714-D717 PolarHBondContact OG1-OD2 3.02Å; T714-L718 PolarHBondContact O-N 3.36Å
715A64Low68Low61 Ų6166.1 Ų66.150%0.50435%0.353SS..Hα-helixtrans-60.7-31.417400000112.4L694 L718 A719L694-A715 HydrophobicContact CD1-CB 3.9Å; A715-L718 PolarHBondContact O-N 3Å; A715-A719 WeakPolarHBondContact O-CB 3.28Å; A715-A719 PolarHBondContact O-N 3.29Å
716E66.8Low68.2Low158 Ų15867.9 Ų67.974%0.73835%0.349SS*.Hα-helixtrans-68-43.2175.4-171.4174.2-17900111.6T714 L718 A719 R720T714-E716 PolarHBondContact O-N 3.09Å; E716-L718 PolarHBondContact O-N 3Å; E716-A719 PolarHBondContact O-N 3.41Å; E716-R720 WeakPolarHBondContact O-CB 3.23Å; E716-R720 PolarHBondContact O-N 3.35Å
717D68.3Low68.3Low13 Ų1362.7 Ų62.77%0.0733%0.325CS..Hα-helixtrans-61.7-43.4172.8-70.1-47.2000111.5I635 Y711 F713 T714 R720 L721I635-D717 HydrophobicContact CD1-CB 4.39Å; Y711-D717 VanDerWaalsContact OH-CG 3.28Å; Y711-D717 PolarHBondContact OH-OD1 3.03Å; Y711-D717 PolarHBondContact OH-OD2 3.05Å; F713-D717 HydrophobicContact CD2-CB 3.6Å; F713-D717 HydrophobicContact CE2-CB 3.6Å; T714-D717 PolarHBondContact N-OD2 3.21Å; T714-D717 PolarHBondContact O-N 2.86Å; T714-D717 VanDerWaalsContact OG1-CG 3.31Å; T714-D717 PolarHBondContact OG1-N 2.77Å; T714-D717 VanDerWaalsContact OG1-N 3.16Å; T714-D717 PolarHBondContact OG1-OD2 3.02Å; D717-R720 PolarHBondContact O-N 3.46Å; D717-R720 IonicContact OD1-CZ 3.2Å; D717-R720 IonicContact OD1-NH1 2.74Å; D717-R720 IonicContact OD1-NH2 3.44Å; D717-R720 PolarHBondContact OD1-NH2 2.83Å; D717-L721 HydrophobicContact CB-CD1 4.38Å; D717-L721 WeakPolarHBondContact O-CB 3.45Å; D717-L721 WeakPolarHBondContact O-CD1 3.35Å; D717-L721 WeakPolarHBondContact O-CG 3.46Å; D717-L721 PolarHBondContact O-N 3.02Å
718L77.3Confident68.2Low9 Ų963.9 Ų63.95%0.04733%0.334CS..Hα-helixtrans-62.3-43.4178.3-179.663.9000111.8P689 S690 L694 F713 T714 A715 E716 K722P689-L718 HydrophobicContact CB-CD1 3.64Å; P689-L718 HydrophobicContact CG-CD1 3.8Å; S690-L718 VanDerWaalsContact C-CD2 3.5Å; S690-L718 WeakPolarHBondContact O-CD2 3.28Å; L694-L718 HydrophobicContact CD2-CB 3.95Å; L694-L718 HydrophobicContact CD2-CD2 4.02Å; L694-L718 HydrophobicContact CG-CD2 4.46Å; F713-L718 HydrophobicContact CE1-CD1 4.29Å; F713-L718 HydrophobicContact CE2-CB 4.22Å; F713-L718 HydrophobicContact CZ-CB 4.01Å; F713-L718 HydrophobicContact CZ-CD1 3.83Å; T714-L718 PolarHBondContact O-N 3.36Å; A715-L718 PolarHBondContact O-N 3Å; E716-L718 PolarHBondContact O-N 3Å; L718-K722 HydrophobicContact CD1-CD 4.18Å; L718-K722 HydrophobicContact CD1-CG 4.24Å; L718-K722 HydrophobicContact CG-CD 4.22Å; L718-K722 VanDerWaalsContact O-CB 3.23Å; L718-K722 WeakPolarHBondContact O-CB 3.3Å; L718-K722 VanDerWaalsContact O-CG 3.25Å; L718-K722 WeakPolarHBondContact O-CG 3.06Å; L718-K722 PolarHBondContact O-N 3.17Å
719A64.8Low67.6Low60 Ų6065.8 Ų65.850%0.49633%0.333SS..Hα-helixtrans-64.2-51.1177.200000111.4A715 E716 L721 K722 E723A715-A719 WeakPolarHBondContact O-CB 3.28Å; A715-A719 PolarHBondContact O-N 3.29Å; E716-A719 PolarHBondContact O-N 3.41Å; A719-L721 VanDerWaalsContact C-N 3.35Å; A719-L721 PolarHBondContact O-N 3.44Å; A719-K722 PolarHBondContact O-N 2.79Å; A719-E723 PolarHBondContact O-N 2.82Å; A719-E723 VanDerWaalsContact O-N 3.08Å
720R80.7Confident66Low121 Ų12168.2 Ų68.246%0.45735%0.345SS..Hα-helixtrans-58-45.1178.4-175.7-175.868.1-156.1-9.7112E716 D717 E723 L724E716-R720 WeakPolarHBondContact O-CB 3.23Å; E716-R720 PolarHBondContact O-N 3.35Å; D717-R720 PolarHBondContact O-N 3.46Å; D717-R720 IonicContact OD1-CZ 3.2Å; D717-R720 IonicContact OD1-NH1 2.74Å; D717-R720 IonicContact OD1-NH2 3.44Å; D717-R720 PolarHBondContact OD1-NH2 2.83Å; R720-E723 PolarHBondContact O-N 3.03Å; R720-L724 HydrophobicContact CG-CD1 4.2Å; R720-L724 WeakPolarHBondContact O-CG 3.46Å; R720-L724 PolarHBondContact O-N 2.85Å
721L73.6Confident64.3Low4 Ų467.7 Ų67.72%0.02134%0.339CS..Hα-helixtrans-79-28.6-175.6-67.4166.4000112.7I635 V637 I643 F713 D717 A719 E723 L724 S725I635-L721 HydrophobicContact CD1-CD1 3.32Å; I635-L721 HydrophobicContact CG1-CD1 3.52Å; I635-L721 HydrophobicContact CG2-CD1 4.38Å; V637-L721 HydrophobicContact CG2-CB 4.34Å; V637-L721 HydrophobicContact CG2-CD2 3.78Å; I643-L721 HydrophobicContact CD1-CB 3.63Å; I643-L721 HydrophobicContact CG1-CB 3.9Å; I643-L721 HydrophobicContact CG2-CB 4.29Å; I643-L721 HydrophobicContact CG2-CD1 3.92Å; F713-L721 HydrophobicContact CE2-CD1 4.15Å; D717-L721 HydrophobicContact CB-CD1 4.38Å; D717-L721 WeakPolarHBondContact O-CB 3.45Å; D717-L721 WeakPolarHBondContact O-CD1 3.35Å; D717-L721 WeakPolarHBondContact O-CG 3.46Å; D717-L721 PolarHBondContact O-N 3.02Å; A719-L721 VanDerWaalsContact C-N 3.35Å; A719-L721 PolarHBondContact O-N 3.44Å; L721-E723 VanDerWaalsContact C-N 3.32Å; L721-L724 HydrophobicContact CD2-CD1 3.98Å; L721-L724 PolarHBondContact O-N 2.86Å; L721-S725 WeakPolarHBondContact O-CB 3.41Å; L721-S725 PolarHBondContact O-N 2.81Å
722K69.6Low62.1Low93 Ų9371.2 Ų71.240%0.40436%0.361SS..Hα-helixtrans-65-38.9168.7-85.1-179.6171.3175.40111.6I643 P689 L718 A719 S725 W726I643-K722 HydrophobicContact CD1-CG 4.48Å; P689-K722 WeakPolarHBondContact O-CE 3.29Å; P689-K722 PolarHBondContact O-NZ 3.5Å; L718-K722 HydrophobicContact CD1-CD 4.18Å; L718-K722 HydrophobicContact CD1-CG 4.24Å; L718-K722 HydrophobicContact CG-CD 4.22Å; L718-K722 VanDerWaalsContact O-CB 3.23Å; L718-K722 WeakPolarHBondContact O-CB 3.3Å; L718-K722 VanDerWaalsContact O-CG 3.25Å; L718-K722 WeakPolarHBondContact O-CG 3.06Å; L718-K722 PolarHBondContact O-N 3.17Å; A719-K722 PolarHBondContact O-N 2.79Å; K722-S725 PolarHBondContact O-N 3.12Å; K722-W726 WeakPolarHBondContact O-CB 3.32Å; K722-W726 PolarHBondContact O-N 3.21Å
723E59.4Low59.8Low115 Ų11570.7 Ų70.754%0.53736%0.361SS..Hα-helixtrans-63.5-48.5174-165.7-179.417300110.7A719 R720 L721 S725 W726 Q727A719-E723 PolarHBondContact O-N 2.82Å; A719-E723 VanDerWaalsContact O-N 3.08Å; R720-E723 PolarHBondContact O-N 3.03Å; L721-E723 VanDerWaalsContact C-N 3.32Å; E723-S725 PolarHBondContact O-N 3.41Å; E723-W726 PolarHBondContact O-N 2.87Å; E723-Q727 WeakPolarHBondContact O-CB 3.44Å; E723-Q727 WeakPolarHBondContact O-CG 3.48Å; E723-Q727 PolarHBondContact O-N 2.89Å
724L60.8Low57.5Low71 Ų7173 Ų7337%0.37238%0.381SS..Hα-helixtrans-60.3-43.8174.5-75.5159.8000112.6V637 R720 L721 Q727 V728V637-L724 HydrophobicContact CG2-CB 3.71Å; R720-L724 HydrophobicContact CG-CD1 4.2Å; R720-L724 WeakPolarHBondContact O-CG 3.46Å; R720-L724 PolarHBondContact O-N 2.85Å; L721-L724 HydrophobicContact CD2-CD1 3.98Å; L721-L724 PolarHBondContact O-N 2.86Å; L724-Q727 WeakPolarHBondContact O-CB 3.45Å; L724-Q727 PolarHBondContact O-N 2.88Å; L724-V728 WeakPolarHBondContact O-CG2 3.29Å; L724-V728 PolarHBondContact O-N 2.8Å
725S66.1Low55.4Low14 Ų1477.2 Ų77.210%0.09840%0.401CS..Hα-helixtrans-61.3-44175.6169.70000111.6G641 L721 K722 E723 V728 R729G641-S725 VanDerWaalsContact O-CB 3.31Å; G641-S725 WeakPolarHBondContact O-CB 3.46Å; G641-S725 PolarHBondContact O-OG 3.47Å; L721-S725 WeakPolarHBondContact O-CB 3.41Å; L721-S725 PolarHBondContact O-N 2.81Å; K722-S725 PolarHBondContact O-N 3.12Å; E723-S725 PolarHBondContact O-N 3.41Å; S725-V728 PolarHBondContact O-N 3.4Å; S725-R729 WeakPolarHBondContact O-CB 3.4Å; S725-R729 VanDerWaalsContact O-CG 3.32Å; S725-R729 WeakPolarHBondContact O-CG 3.42Å; S725-R729 PolarHBondContact O-N 3.36Å
726W58Low53.7Low111 Ų11183.3 Ų83.342%0.4242%0.416SS..Hα-helixtrans-66-38.2175.5-17893.1000111.6K722 E723 R729 N730 I733K722-W726 WeakPolarHBondContact O-CB 3.32Å; K722-W726 PolarHBondContact O-N 3.21Å; E723-W726 PolarHBondContact O-N 2.87Å; W726-R729 CarbonylContact O-C 3.6Å; W726-R729 PolarHBondContact O-N 3.47Å; W726-N730 HydrophobicContact CD2-CB 4.19Å; W726-N730 HydrophobicContact CH2-CB 4.45Å; W726-N730 HydrophobicContact CZ2-CB 4.07Å; W726-N730 PolarHBondContact NE1-ND2 2.97Å; W726-N730 WeakPolarHBondContact O-CA 3.3Å; W726-N730 VanDerWaalsContact O-CB 3.29Å; W726-N730 WeakPolarHBondContact O-CB 3.25Å; W726-N730 PolarHBondContact O-N 3.01Å; W726-N730 PolarHBondContact O-ND2 3.28Å; W726-I733 HydrophobicContact CH2-CB 3.71Å; W726-I733 HydrophobicContact CH2-CG2 3.71Å; W726-I733 HydrophobicContact CZ2-CB 4.33Å; W726-I733 HydrophobicContact CZ2-CD1 4.31Å; W726-I733 HydrophobicContact CZ2-CG2 4.34Å
727Q48.9Very low52.4Low58 Ų5878.6 Ų78.627%0.27140%0.401SS..Hα-helixtrans-64.5-41.3175.4-73.8169.21.400112E723 L724 A734E723-Q727 WeakPolarHBondContact O-CB 3.44Å; E723-Q727 WeakPolarHBondContact O-CG 3.48Å; E723-Q727 PolarHBondContact O-N 2.89Å; L724-Q727 WeakPolarHBondContact O-CB 3.45Å; L724-Q727 PolarHBondContact O-N 2.88Å; Q727-A734 HydrophobicContact CG-CB 4.37Å
728V53.1Low50.7Low67 Ų6782.3 Ų82.341%0.40642%0.424SS..Hα-helixtrans-65.6-39.4173.9173.40000111.1V637 L724 S725V637-V728 HydrophobicContact CG1-CG2 4.2Å; L724-V728 WeakPolarHBondContact O-CG2 3.29Å; L724-V728 PolarHBondContact O-N 2.8Å; S725-V728 PolarHBondContact O-N 3.4Å
729R47.6Very low48.7Very low98 Ų9888.9 Ų88.937%0.3745%0.448SS..Hα-helixtrans-82.2-23.6-179.6-68.7179.1-179.1178.57114.7G641 D688 S725 W726G641-R729 PolarHBondContact O-NE 2.94Å; G641-R729 PolarHBondContact O-NH2 3.01Å; D688-R729 IonicContact OD1-NH1 3.89Å; D688-R729 PolarHBondContact OD1-NH1 3.34Å; S725-R729 WeakPolarHBondContact O-CB 3.4Å; S725-R729 VanDerWaalsContact O-CG 3.32Å; S725-R729 WeakPolarHBondContact O-CG 3.42Å; S725-R729 PolarHBondContact O-N 3.36Å; W726-R729 CarbonylContact O-C 3.6Å; W726-R729 PolarHBondContact O-N 3.47Å
730N39.2Very low47.3Very low64 Ų6490.5 Ų90.534%0.34245%0.446SS..  trans-128.660.1-177.6-59.1-81.5000112.1W726 L732 I733W726-N730 HydrophobicContact CD2-CB 4.19Å; W726-N730 HydrophobicContact CH2-CB 4.45Å; W726-N730 HydrophobicContact CZ2-CB 4.07Å; W726-N730 PolarHBondContact NE1-ND2 2.97Å; W726-N730 WeakPolarHBondContact O-CA 3.3Å; W726-N730 VanDerWaalsContact O-CB 3.29Å; W726-N730 WeakPolarHBondContact O-CB 3.25Å; W726-N730 PolarHBondContact O-N 3.01Å; W726-N730 PolarHBondContact O-ND2 3.28Å; N730-L732 PolarHBondContact O-N 3.02Å; N730-I733 PolarHBondContact O-N 2.8Å
731P37.8Very low45.2Very low65 Ų6588.6 Ų88.642%0.42245%0.447SS..THydrogen-bonded Turntrans-67.7-2.6-169.927.1-35.8000115.2
732L33Very low43.4Very low131 Ų13192.3 Ų92.369%0.68646%0.464SS*.THydrogen-bonded Turntrans-96.1-11.2-175.9-67.6171.5000114.7N730N730-L732 PolarHBondContact O-N 3.02Å
733I32Very low41.8Very low122 Ų12290.5 Ų90.563%0.62646%0.461SS*.THydrogen-bonded Turntrans-107.1-14.2-172.9-57.6174.8000112.4W726 N730 L735W726-I733 HydrophobicContact CH2-CB 3.71Å; W726-I733 HydrophobicContact CH2-CG2 3.71Å; W726-I733 HydrophobicContact CZ2-CB 4.33Å; W726-I733 HydrophobicContact CZ2-CD1 4.31Å; W726-I733 HydrophobicContact CZ2-CG2 4.34Å; N730-I733 PolarHBondContact O-N 2.8Å; I733-L735 PolarHBondContact O-N 3.11Å
734A28.8Very low40.7Very low51 Ų5187.5 Ų87.542%0.42145%0.453SS..  trans-98.585-179.100000112.1Q727Q727-A734 HydrophobicContact CG-CB 4.37Å
735L32.9Very low39.3Very low135 Ų13594 Ų9471%0.70748%0.481SS*.  trans-110.986.6170.3-76.9164.6000110.2I733I733-L735 PolarHBondContact O-N 3.11Å
736K29.9Very low37.7Very low189 Ų189102.6 Ų102.682%0.82252%0.517SS*.  trans-98.2130.8152-79.6-178.9177.9176.70106.6
737S38.3Very low36.5Very low60 Ų6098.2 Ų98.242%0.4251%0.506SS..EExtended strand (participates in β ladder)trans-135.2129.4-179-44.90000110.2
738T32.1Very low35.8Very low91 Ų9197.1 Ų97.156%0.55851%0.51SS*.EExtended strand (participates in β ladder)trans-120.8132176.640.40000110Q754T738-Q754 PolarHBondContact O-N 2.85Å; T738-Q754 VanDerWaalsContact O-N 3.11Å
739W37Very low35Very low146 Ų14696.4 Ų96.455%0.55351%0.506SS*.EExtended strand (participates in β ladder)trans-83.6144.8177.1-70.393.8000110.4L753W739-L753 HydrophobicContact CD2-CB 4.41Å; W739-L753 HydrophobicContact CD2-CD1 3.6Å; W739-L753 HydrophobicContact CE3-CB 3.94Å; W739-L753 HydrophobicContact CE3-CD1 4.01Å; W739-L753 HydrophobicContact CG-CD1 3.97Å; W739-L753 HydrophobicContact CH2-CB 4.05Å; W739-L753 HydrophobicContact CH2-CD1 4.26Å; W739-L753 HydrophobicContact CH2-CD2 4.47Å; W739-L753 HydrophobicContact CZ2-CB 4.5Å; W739-L753 HydrophobicContact CZ2-CD1 3.87Å; W739-L753 HydrophobicContact CZ2-CD2 4.42Å; W739-L753 HydrophobicContact CZ3-CB 3.75Å; W739-L753 HydrophobicContact CZ3-CD1 4.33Å
740Q34.5Very low34.4Very low95 Ų9597 Ų9744%0.44451%0.508SS..EExtended strand (participates in β ladder)trans-129.9143.9173.3-66.3-66.6-57.300110.3W752Q740-W752 PolarHBondContact N-O 2.98Å; Q740-W752 PolarHBondContact O-N 2.96Å; Q740-W752 VanDerWaalsContact O-O 3.13Å
741V36.6Very low34.3Very low81 Ų8197.7 Ų97.749%0.49151%0.511SS..EExtended strand (participates in β ladder)trans-120.6125.2178.8-164.40000108.4V749 L751V741-V749 HydrophobicContact CG1-CG1 3.7Å; V741-L751 HydrophobicContact CB-CD2 3.96Å; V741-L751 HydrophobicContact CG1-CD2 3.74Å; V741-L751 HydrophobicContact CG1-CG 4.38Å; V741-L751 HydrophobicContact CG2-CD2 3.4Å; V741-L751 VanDerWaalsContact CG2-CD2 3.4Å
742E36.4Very low34.4Very low82 Ų8298.4 Ų98.438%0.38351%0.506SS..EExtended strand (participates in β ladder)trans-121.6124.5175.4-172.9-176.2-139.200109.6R750 W752E742-R750 HydrophobicContact CB-CB 4.47Å; E742-R750 PolarHBondContact N-O 2.84Å; E742-R750 WeakPolarHBondContact O-CA 3.38Å; E742-R750 WeakPolarHBondContact O-CB 3.38Å; E742-R750 PolarHBondContact O-N 2.92Å; E742-R750 IonicContact OE2-CZ 3.72Å; E742-R750 IonicContact OE2-NH1 3.45Å; E742-R750 PolarHBondContact OE2-NH1 2.81Å; E742-W752 HydrophobicContact CB-CH2 4.2Å; E742-W752 WeakPolarHBondContact OE2-CH2 3.42Å; E742-W752 WeakPolarHBondContact OE2-CZ3 3.33Å
743V34.9Very low34.6Very low55 Ų5595.4 Ų95.433%0.33349%0.49SS..EExtended strand (participates in β ladder)trans-100.9118.3172.8-170.40000107.8G748 V749V743-G748 WeakPolarHBondContact CA-O 3.41Å; V743-V749 HydrophobicContact CG1-CG2 4.29Å; V743-V749 HydrophobicContact CG2-CG1 4.48Å; V743-V749 HydrophobicContact CG2-CG2 4.06Å
744S36.2Very low34.8Very low52 Ų5295 Ų9536%0.36449%0.485SS..  trans-73.4154.8178.365.90000111.9K746 G747 G748S744-K746 PolarHBondContact O-N 3.42Å; S744-G747 PolarHBondContact O-N 3.16Å; S744-G748 PolarHBondContact N-O 3.34Å; S744-G748 WeakPolarHBondContact OG-CA 3.25Å; S744-G748 PolarHBondContact OG-N 3.18Å; S744-G748 PolarHBondContact OG-O 3.03Å; S744-G748 VanDerWaalsContact OG-O 3.07Å
745E31.5Very low35.2Very low206 Ų20693.7 Ų93.796%0.96347%0.472SS*.THydrogen-bonded Turntrans-60-6179.6-64.7-176.5162.400114.9
746K33.3Very low35.3Very low196 Ų19695.8 Ų95.885%0.85248%0.478SS*.THydrogen-bonded Turntrans-107.119.8172.9-64.1-171.8177.9-176.30113.4S744 G748S744-K746 PolarHBondContact O-N 3.42Å; K746-G748 VanDerWaalsContact C-N 3.34Å; K746-G748 PolarHBondContact O-N 2.75Å
747G32.7Very low35.5Very low19 Ų1989.7 Ų89.720%0.19646%0.46CS..SBendtrans78.78176.600000115.5S744S744-G747 PolarHBondContact O-N 3.16Å
748G33.8Very low35.2Very low34 Ų3490.6 Ų90.635%0.35146%0.459SS..  trans-83.4121.3175.800000111.9V743 S744 K746V743-G748 WeakPolarHBondContact CA-O 3.41Å; S744-G748 PolarHBondContact N-O 3.34Å; S744-G748 WeakPolarHBondContact OG-CA 3.25Å; S744-G748 PolarHBondContact OG-N 3.18Å; S744-G748 PolarHBondContact OG-O 3.03Å; S744-G748 VanDerWaalsContact OG-O 3.07Å; K746-G748 VanDerWaalsContact C-N 3.34Å; K746-G748 PolarHBondContact O-N 2.75Å
749V36.2Very low35.2Very low52 Ų5288.8 Ų88.832%0.31545%0.45SS..EExtended strand (participates in β ladder)trans-84.4124.9171.8-1760000109.8V741 V743 L831V741-V749 HydrophobicContact CG1-CG1 3.7Å; V743-V749 HydrophobicContact CG1-CG2 4.29Å; V743-V749 HydrophobicContact CG2-CG1 4.48Å; V743-V749 HydrophobicContact CG2-CG2 4.06Å; V749-L831 HydrophobicContact CG2-CD1 4.44Å; V749-L831 HydrophobicContact CG2-CD2 3.73Å
750R36.1Very low34.8Very low110 Ų11090.3 Ų90.342%0.41547%0.47SS..EExtended strand (participates in β ladder)trans-114.8120.4178-171.3-173.6-75160.4-12.5108.4E742 W752E742-R750 HydrophobicContact CB-CB 4.47Å; E742-R750 PolarHBondContact N-O 2.84Å; E742-R750 WeakPolarHBondContact O-CA 3.38Å; E742-R750 WeakPolarHBondContact O-CB 3.38Å; E742-R750 PolarHBondContact O-N 2.92Å; E742-R750 IonicContact OE2-CZ 3.72Å; E742-R750 IonicContact OE2-NH1 3.45Å; E742-R750 PolarHBondContact OE2-NH1 2.81Å; R750-W752 HydrophobicContact CG-CE3 3.9Å; R750-W752 HydrophobicContact CG-CZ3 4.19Å
751L36.3Very low34.5Very low80 Ų8090.6 Ų90.642%0.41948%0.482SS..EExtended strand (participates in β ladder)trans-103.4128.6172.5-73.3162.4000108.2V741V741-L751 HydrophobicContact CB-CD2 3.96Å; V741-L751 HydrophobicContact CG1-CD2 3.74Å; V741-L751 HydrophobicContact CG1-CG 4.38Å; V741-L751 HydrophobicContact CG2-CD2 3.4Å; V741-L751 VanDerWaalsContact CG2-CD2 3.4Å
752W40Very low34.2Very low79 Ų7991.1 Ų91.130%0.29950%0.495SS..EExtended strand (participates in β ladder)trans-136.1149.9167.963.257.5000111.6Q740 E742 R750Q740-W752 PolarHBondContact N-O 2.98Å; Q740-W752 PolarHBondContact O-N 2.96Å; Q740-W752 VanDerWaalsContact O-O 3.13Å; E742-W752 HydrophobicContact CB-CH2 4.2Å; E742-W752 WeakPolarHBondContact OE2-CH2 3.42Å; E742-W752 WeakPolarHBondContact OE2-CZ3 3.33Å; R750-W752 HydrophobicContact CG-CE3 3.9Å; R750-W752 HydrophobicContact CG-CZ3 4.19Å
753L36Very low34Very low68 Ų6893 Ų9336%0.35650%0.504SS..EExtended strand (participates in β ladder)trans-92.6121.1172.4-175.866.9000107.6W739 T755W739-L753 HydrophobicContact CD2-CB 4.41Å; W739-L753 HydrophobicContact CD2-CD1 3.6Å; W739-L753 HydrophobicContact CE3-CB 3.94Å; W739-L753 HydrophobicContact CE3-CD1 4.01Å; W739-L753 HydrophobicContact CG-CD1 3.97Å; W739-L753 HydrophobicContact CH2-CB 4.05Å; W739-L753 HydrophobicContact CH2-CD1 4.26Å; W739-L753 HydrophobicContact CH2-CD2 4.47Å; W739-L753 HydrophobicContact CZ2-CB 4.5Å; W739-L753 HydrophobicContact CZ2-CD1 3.87Å; W739-L753 HydrophobicContact CZ2-CD2 4.42Å; W739-L753 HydrophobicContact CZ3-CB 3.75Å; W739-L753 HydrophobicContact CZ3-CD1 4.33Å; L753-T755 HydrophobicContact CD2-CG2 3.56Å; L753-T755 HydrophobicContact CG-CG2 3.66Å
754Q37Very low34Very low113 Ų11395.3 Ų95.353%0.52851%0.513SS..EExtended strand (participates in β ladder)trans-89.8110169.4-168165.8-7.500107.5T738T738-Q754 PolarHBondContact O-N 2.85Å; T738-Q754 VanDerWaalsContact O-N 3.11Å
755T37.4Very low33.8Very low25 Ų2597.7 Ų97.715%0.15352%0.515CS..EExtended strand (participates in β ladder)trans-109.6139.3168.277.50000107.6L753 S757L753-T755 HydrophobicContact CD2-CG2 3.56Å; L753-T755 HydrophobicContact CG-CG2 3.66Å; T755-S757 PolarHBondContact O-N 2.76Å; T755-S757 PolarHBondContact OG1-O 3.31Å
756E34.5Very low34Very low178 Ų17892.5 Ų92.583%0.83249%0.493SS*.SBendtrans-76.4-7.9-179.7-70.7-176.315900112.9
757S33.6Very low33.9Very low62 Ų6287.7 Ų87.743%0.43448%0.48SS..  trans-157.3130.7169.4177.70000110T755T755-S757 PolarHBondContact O-N 2.76Å; T755-S757 PolarHBondContact OG1-O 3.31Å
758L33.1Very low34Very low78 Ų7890 Ų9041%0.40849%0.485SS..  trans-103.4113.1160.7-79.5165.7000106.7N816L758-N816 HydrophobicContact CD1-CB 4.3Å
759S33Very low33.7Very low53 Ų5394.7 Ų94.737%0.37150%0.501SS..  trans-74.2148.6151.463.40000108.3S761S759-S761 PolarHBondContact O-N 2.74Å
760N27.6Very low33.5Very low179 Ų179100.3 Ų100.396%0.95753%0.53SS*.SBendtrans-63.627.9-171.4-80.4-21.5000116.2
761S29.1Very low33.2Very low101 Ų101104.9 Ų104.971%0.70655%0.547SS*.  trans-151.563.5-174.466.40000115.5S759S759-S761 PolarHBondContact O-N 2.74Å
762A29.6Very low33Very low91 Ų91106.7 Ų106.775%0.75255%0.553SS**  trans-129134.2166.600000111.4
763E31.9Very low32.9Very low122 Ų122106.5 Ų106.557%0.5756%0.557SS**  trans-119139.3-175.4-155.3177.3-149.200111.7S776 R778E763-S776 VanDerWaalsContact OE2-O 3.1Å; E763-R778 PolarHBondContact OE2-N 3.33Å
764L34.5Very low32.5Very low103 Ų103108 Ų10854%0.53957%0.573SS.*  trans-101.2145.2-175.4-95.5143.6000112T775L764-T775 PolarHBondContact O-OG1 3.28Å
765R32.8Very low32.3Very low103 Ų103105.5 Ų105.539%0.38957%0.566SS.*  trans-130.9143.1168.5-71-169.3-177.1-164.5-0.5112.4E772R765-E772 IonicContact CZ-OE1 2.7Å; R765-E772 IonicContact NH1-OE1 3.88Å; R765-E772 PolarHBondContact NH1-OE1 2.94Å
766L35.1Very low31.7Very low97 Ų97108.4 Ų108.451%0.50859%0.587SS.*  trans-124.8131.9178.9-89.4148.9000109.6L820L766-L820 HydrophobicContact CD1-CD1 4.18Å
767V32Very low31.3Very low95 Ų95104.1 Ų104.158%0.57658%0.575SS**EExtended strand (participates in β ladder)trans-130.3136.2176.7-178.40000109.1
768F33.5Very low30.9Very low68 Ų68111.3 Ų111.330%0.29859%0.593SS.*EExtended strand (participates in β ladder)trans-141.9131.7178.1-175.1-105.6000109.9D770 R771 F794F768-D770 PolarHBondContact O-N 3.18Å; F768-R771 PolarHBondContact O-N 2.98Å; F768-F794 HydrophobicContact CD2-CE1 4.07Å; F768-F794 HydrophobicContact CD2-CZ 4.07Å; F768-F794 HydrophobicContact CE1-CE1 4.49Å; F768-F794 AromaticContact CE2-CD1 3.53Å; F768-F794 HydrophobicContact CE2-CD1 3.53Å; F768-F794 AromaticContact CE2-CE1 3.17Å; F768-F794 HydrophobicContact CE2-CE1 3.17Å; F768-F794 HydrophobicContact CE2-CE2 4.32Å; F768-F794 HydrophobicContact CE2-CG 4.25Å; F768-F794 AromaticContact CE2-CZ 3.61Å; F768-F794 HydrophobicContact CE2-CZ 3.61Å; F768-F794 AromaticContact CZ-CD1 3.84Å; F768-F794 HydrophobicContact CZ-CD1 3.84Å; F768-F794 AromaticContact CZ-CE1 3.43Å; F768-F794 HydrophobicContact CZ-CE1 3.43Å; F768-F794 VanDerWaalsContact CZ-CE1 3.43Å; F768-F794 HydrophobicContact CZ-CZ 4.22Å
769N28.7Very low30.6Very low132 Ų132119.3 Ų119.371%0.70662%0.617SS**THydrogen-bonded Turntrans44.755.1-179-73.5-6.9000114.6R771N769-R771 PolarHBondContact O-N 3.42Å
770D31.9Very low30.2Very low169 Ų169126.6 Ų126.690%0.90464%0.642SS**THydrogen-bonded Turntrans55.718.1176.1-65.9-29.3000116.1F768F768-D770 PolarHBondContact O-N 3.18Å
771R29.4Very low30.3Very low206 Ų206124.5 Ų124.578%0.77764%0.636SS**EExtended strand (participates in β ladder)trans-117.1123.3169.9-70.7-171.9176.2-177.11.3111.1F768 N769F768-R771 PolarHBondContact O-N 2.98Å; N769-R771 PolarHBondContact O-N 3.42Å
772E32.5Very low30.2Very low118 Ų118126 Ų12655%0.55164%0.636SS**EExtended strand (participates in β ladder)trans-74.9121.3177-167173.4-162.100109.5R765 S774R765-E772 IonicContact CZ-OE1 2.7Å; R765-E772 IonicContact NH1-OE1 3.88Å; R765-E772 PolarHBondContact NH1-OE1 2.94Å; E772-S774 PolarHBondContact O-N 2.88Å; E772-S774 VanDerWaalsContact O-N 3.17Å
773I36.8Very low30.2Very low75 Ų75128.6 Ų128.639%0.38563%0.631SS.*  trans-8197168.1-56.8176.1000105.8T775I773-T775 PolarHBondContact O-N 3Å
774S28.3Very low30.1Very low99 Ų99128.8 Ų128.869%0.69264%0.636SS**  trans-52.6121.1-170.1173.40000114E772E772-S774 PolarHBondContact O-N 2.88Å; E772-S774 VanDerWaalsContact O-N 3.17Å
775T32.5Very low30Very low62 Ų62131.9 Ų131.938%0.3865%0.645SS.*  trans-128.1136.215454.70000108.9L764 I773L764-T775 PolarHBondContact O-OG1 3.28Å; I773-T775 PolarHBondContact O-N 3Å
776S24.7Very low30Very low86 Ų86129 Ų12960%0.60164%0.643SS**  trans-66170.8-173.8-53.30000112.7E763E763-S776 VanDerWaalsContact OE2-O 3.1Å
777P26.2Very low29.9Very low88 Ų88130.8 Ų130.857%0.57165%0.646SS**  trans-105.4139.2-144.137-32000116.5
778R25.1Very low30Very low213 Ų213128.2 Ų128.280%0.80464%0.639SS**  -179.7107.5110-91.3160.5-175.2-162.93115.4E763E763-R778 PolarHBondContact OE2-N 3.33Å
779R27.3Very low30.1Very low245 Ų245130.8 Ų130.893%0.92566%0.656SS**  trans65.4155.1150.3-57-179.6178.1-175.6-1.1120
780K24.9Very low30.5Very low206 Ų206128 Ų12890%0.89664%0.643SS**  -155.5130.7-69.8-123.6-168.7-175.6-173.20106.2
781V28.5Very low30.7Very low135 Ų135125.1 Ų125.182%0.81862%0.624SS**  trans-142.8153.4173.9-175.70000110.9
782N28Very low31.1Very low133 Ų133121.2 Ų121.271%0.71162%0.618SS**  trans-81.1144.6-164.1-159.612.1000115.5D784N782-D784 PolarHBondContact ND2-OD2 2.99Å
783F29.8Very low31.6Very low146 Ų146120.5 Ų120.564%0.6462%0.617SS**  trans-108.43.3-158.6-98-91.3000116.9K785 A786F783-K785 VanDerWaalsContact C-N 3.33Å; F783-K785 PolarHBondContact O-N 2.88Å; F783-K785 VanDerWaalsContact O-N 3.08Å; F783-A786 PolarHBondContact O-N 2.88Å
784D28.7Very low31.8Very low126 Ų126120 Ų12067%0.67461%0.612SS**THydrogen-bonded Turntrans-68-17.1-159.8-67.9-43.1000116.9N782N782-D784 PolarHBondContact ND2-OD2 2.99Å
785K33.1Very low32.4Very low168 Ų168121 Ų12173%0.7361%0.61SS**THydrogen-bonded Turntrans-91.7-13.1-178.7-80.4-172175-171.70115.9F783F783-K785 VanDerWaalsContact C-N 3.33Å; F783-K785 PolarHBondContact O-N 2.88Å; F783-K785 VanDerWaalsContact O-N 3.08Å
786A33.5Very low32.8Very low43 Ų43125.2 Ų125.236%0.35563%0.625SS.*THydrogen-bonded Turntrans-88.6-15179.800000113.5F783 G788 V790F783-A786 PolarHBondContact O-N 2.88Å; A786-G788 PolarHBondContact O-N 2.85Å; A786-V790 WeakPolarHBondContact O-CB 3.33Å; A786-V790 VanDerWaalsContact O-CG2 3.27Å; A786-V790 WeakPolarHBondContact O-CG2 3.39Å; A786-V790 PolarHBondContact O-N 3.46Å
787K32.3Very low33.5Very low133 Ų133123 Ų12358%0.57861%0.606SS**Hα-helixtrans-61.5-44.9-173.8-170.7173.6176.1-177.40112.7E791K787-E791 WeakPolarHBondContact CE-OE1 3.49Å; K787-E791 HydrophobicContact CG-CG 4.38Å; K787-E791 VanDerWaalsContact CG-OE1 3.27Å; K787-E791 WeakPolarHBondContact CG-OE1 3.48Å; K787-E791 VanDerWaalsContact O-CB 3.28Å; K787-E791 WeakPolarHBondContact O-CB 3.44Å; K787-E791 WeakPolarHBondContact O-CG 3.48Å; K787-E791 PolarHBondContact O-N 3.4Å
788G34Very low34.2Very low41 Ų41122.7 Ų122.742%0.42361%0.606SS.*Hα-helixtrans-70.8-34.6-175.300000115.6A786 I792A786-G788 PolarHBondContact O-N 2.85Å; G788-I792 WeakPolarHBondContact O-CD1 3.42Å; G788-I792 WeakPolarHBondContact O-CG1 3.12Å; G788-I792 PolarHBondContact O-N 3.39Å
789L35.1Very low34.9Very low123 Ų123120.8 Ų120.864%0.64461%0.606SS**Hα-helixtrans-80.2-32.2179.5-90.7159000112.6L793L789-L793 PolarHBondContact O-N 2.8Å
790V37Very low35.7Very low74 Ų74117.2 Ų117.245%0.44860%0.6SS.*Hα-helixtrans-76.4-36.7176.3176.40000110.5A786 I792 L793 F794A786-V790 WeakPolarHBondContact O-CB 3.33Å; A786-V790 VanDerWaalsContact O-CG2 3.27Å; A786-V790 WeakPolarHBondContact O-CG2 3.39Å; A786-V790 PolarHBondContact O-N 3.46Å; V790-I792 PolarHBondContact O-N 2.86Å; V790-L793 PolarHBondContact O-N 3.01Å; V790-F794 HydrophobicContact CG1-CD2 3.61Å; V790-F794 HydrophobicContact CG1-CE2 3.91Å; V790-F794 WeakPolarHBondContact O-CB 3.44Å; V790-F794 WeakPolarHBondContact O-CD2 3.36Å; V790-F794 PolarHBondContact O-N 3.07Å
791E36.8Very low36.4Very low107 Ų107111.4 Ų111.450%0.558%0.579SS.*Hα-helixtrans-61.3-41.8174.8-79.8172.6173.400112K787 L793 F794 D795K787-E791 WeakPolarHBondContact CE-OE1 3.49Å; K787-E791 HydrophobicContact CG-CG 4.38Å; K787-E791 VanDerWaalsContact CG-OE1 3.27Å; K787-E791 WeakPolarHBondContact CG-OE1 3.48Å; K787-E791 VanDerWaalsContact O-CB 3.28Å; K787-E791 WeakPolarHBondContact O-CB 3.44Å; K787-E791 WeakPolarHBondContact O-CG 3.48Å; K787-E791 PolarHBondContact O-N 3.4Å; E791-L793 PolarHBondContact O-N 2.93Å; E791-F794 PolarHBondContact O-N 3.27Å; E791-D795 VanDerWaalsContact O-CB 3.23Å; E791-D795 WeakPolarHBondContact O-CB 3.43Å; E791-D795 PolarHBondContact O-N 3.07Å
792I38.8Very low36.8Very low125 Ų125114.7 Ų114.764%0.64159%0.585SS**Hα-helixtrans-67.8-36.5179-64.7167.1000112.5G788 V790G788-I792 WeakPolarHBondContact O-CD1 3.42Å; G788-I792 WeakPolarHBondContact O-CG1 3.12Å; G788-I792 PolarHBondContact O-N 3.39Å; V790-I792 PolarHBondContact O-N 2.86Å
793L41.6Very low37.4Very low102 Ų102109.8 Ų109.853%0.53457%0.566SS.*Hα-helixtrans-71.5-33.8176.2-85.9160.4000112.2L789 V790 E791 L797L789-L793 PolarHBondContact O-N 2.8Å; V790-L793 PolarHBondContact O-N 3.01Å; E791-L793 PolarHBondContact O-N 2.93Å; L793-L797 WeakPolarHBondContact O-CD1 3.41Å
794F42.3Very low37.7Very low66 Ų66107.6 Ų107.629%0.28957%0.569SS.*Hα-helixtrans-87.9-25.7-179.3-89.6-82.2000114.3F768 V790 E791 Q796 L797 S798F768-F794 HydrophobicContact CD2-CE1 4.07Å; F768-F794 HydrophobicContact CD2-CZ 4.07Å; F768-F794 HydrophobicContact CE1-CE1 4.49Å; F768-F794 AromaticContact CE2-CD1 3.53Å; F768-F794 HydrophobicContact CE2-CD1 3.53Å; F768-F794 AromaticContact CE2-CE1 3.17Å; F768-F794 HydrophobicContact CE2-CE1 3.17Å; F768-F794 HydrophobicContact CE2-CE2 4.32Å; F768-F794 HydrophobicContact CE2-CG 4.25Å; F768-F794 AromaticContact CE2-CZ 3.61Å; F768-F794 HydrophobicContact CE2-CZ 3.61Å; F768-F794 AromaticContact CZ-CD1 3.84Å; F768-F794 HydrophobicContact CZ-CD1 3.84Å; F768-F794 AromaticContact CZ-CE1 3.43Å; F768-F794 HydrophobicContact CZ-CE1 3.43Å; F768-F794 VanDerWaalsContact CZ-CE1 3.43Å; F768-F794 HydrophobicContact CZ-CZ 4.22Å; V790-F794 HydrophobicContact CG1-CD2 3.61Å; V790-F794 HydrophobicContact CG1-CE2 3.91Å; V790-F794 WeakPolarHBondContact O-CB 3.44Å; V790-F794 WeakPolarHBondContact O-CD2 3.36Å; V790-F794 PolarHBondContact O-N 3.07Å; E791-F794 PolarHBondContact O-N 3.27Å; F794-Q796 PolarHBondContact O-N 2.81Å; F794-L797 PolarHBondContact O-N 3.09Å; F794-L797 VanDerWaalsContact O-N 3.12Å; F794-S798 WeakPolarHBondContact O-CB 3.46Å; F794-S798 PolarHBondContact O-N 3.43Å
795D40.6Very low38.5Very low119 Ų119103.7 Ų103.764%0.63655%0.545SS*.Hα-helixtrans-69.7-22.4179.8-153.139.6000112.6E791 S798E791-D795 VanDerWaalsContact O-CB 3.23Å; E791-D795 WeakPolarHBondContact O-CB 3.43Å; E791-D795 PolarHBondContact O-N 3.07Å; D795-S798 PolarHBondContact O-OG 3.34Å
796Q41.3Very low38.5Very low150 Ų15099.9 Ų99.970%0.70154%0.536SS*.THydrogen-bonded Turntrans-85-24.7169.7-68.1-160.4-3600113.6F794F794-Q796 PolarHBondContact O-N 2.81Å
797L39.5Very low38.7Very low41 Ų4199.6 Ų99.622%0.21553%0.534CS..THydrogen-bonded Turntrans-85.3-24.2176.8-81.6160.7000112.7L793 F794 Q799 E800 F827 I830L793-L797 WeakPolarHBondContact O-CD1 3.41Å; F794-L797 PolarHBondContact O-N 3.09Å; F794-L797 VanDerWaalsContact O-N 3.12Å; L797-Q799 PolarHBondContact O-N 2.79Å; L797-E800 PolarHBondContact O-N 2.84Å; L797-F827 HydrophobicContact CD1-CE2 3.8Å; L797-I830 HydrophobicContact CD2-CD1 4.1Å; L797-I830 HydrophobicContact CD2-CG2 4.06Å
798S39.8Very low38.7Very low81 Ų8198.2 Ų98.257%0.56653%0.53SS*.THydrogen-bonded Turntrans-66.7-15.4179.475.30000113.8F794 D795F794-S798 WeakPolarHBondContact O-CB 3.46Å; F794-S798 PolarHBondContact O-N 3.43Å; D795-S798 PolarHBondContact O-OG 3.34Å
799Q41Very low38.6Very low173 Ų173100.9 Ų100.981%0.80853%0.534SS*.THydrogen-bonded Turntrans-82-13.3176.2-66.5-165.6-0.700113.7L797L797-Q799 PolarHBondContact O-N 2.79Å
800E42.8Very low38.6Very low169 Ų169102.9 Ų102.979%0.7953%0.532SS*.THydrogen-bonded Turntrans-126.9-12.4-170.6-68.4-161.2162.800117.8L797L797-E800 PolarHBondContact O-N 2.84Å
801D40.6Very low38.6Very low84 Ų84106.1 Ų106.145%0.44955%0.547SS..  trans-164.9130.3170.8-125.7-19.8000114.9G803 K826D801-G803 PolarHBondContact O-N 3.33Å; D801-K826 IonicContact OD2-NZ 3.62Å; D801-K826 PolarHBondContact OD2-NZ 2.91Å
802E37.3Very low38.4Very low204 Ų204102.2 Ų102.295%0.95354%0.536SS*.  trans-85.388.9168.1-75.4-173.1164.600110
803G40.3Very low38.1Very low31 Ų31109 Ų10932%0.3255%0.553SS.*  trans-140.8152.2-177.800000115.1D801 Y805D801-G803 PolarHBondContact O-N 3.33Å; G803-Y805 WeakPolarHBondContact O-CE2 3.46Å
804S36.2Very low37.6Very low100 Ų100106.6 Ų106.670%0.69955%0.548SS*.  trans-99.9123.8174.5175.70000110.4
805Y45.2Very low37.1Very low44 Ų44113.3 Ų113.317%0.17358%0.577CS.*  trans-109.7144.1-175.4-56.5-77.4000112.1G803 D824G803-Y805 WeakPolarHBondContact O-CE2 3.46Å; Y805-D824 HydrophobicContact CD1-CB 3.95Å; Y805-D824 WeakPolarHBondContact CD1-OD2 3.49Å
806T33.7Very low36.7Very low87 Ų87112.3 Ų112.353%0.53457%0.572SS.*  trans-108.8136.2-179-1.90000112V823T806-V823 PolarHBondContact O-N 3.37Å
807A37.4Very low36.2Very low37 Ų37110 Ų11031%0.30656%0.561SS.*EExtended strand (participates in β ladder)trans-123.5145.5175.200000111.3L820 V821 F822A807-L820 HydrophobicContact CB-CD2 3.78Å; A807-L820 HydrophobicContact CB-CG 4.31Å; A807-V821 CarbonylContact C-O 3.39Å; A807-V821 WeakPolarHBondContact CA-O 3.37Å; A807-F822 HydrophobicContact CB-CD1 3.85Å; A807-F822 HydrophobicContact CB-CE1 4.07Å; A807-F822 HydrophobicContact CB-CG 4.37Å
808Q32.6Very low36Very low105 Ų105111 Ų11149%0.49157%0.571SS.*EExtended strand (participates in β ladder)trans-114.3136.7176.2-74.7178.8-1.700110.5V821 V823Q808-V821 PolarHBondContact N-O 2.95Å; Q808-V821 PolarHBondContact O-N 2.98Å; Q808-V823 HydrophobicContact CB-CG2 4.13Å; Q808-V823 HydrophobicContact CG-CG2 3.71Å
809L31.9Very low35.7Very low97 Ų97109.2 Ų109.251%0.50856%0.557SS.*EExtended strand (participates in β ladder)trans-83.1128.1170.5-141.687.9000108.9C818 T819 L820L809-C818 HydrophobicContact CD2-CB 4.01Å; L809-C818 HydrophobicContact CG-CB 4.33Å; L809-T819 WeakPolarHBondContact CA-O 3.42Å; L809-L820 HydrophobicContact CD1-CD1 3.77Å; L809-L820 HydrophobicContact CD1-CG 4.48Å
810R35.2Very low35.5Very low164 Ų164103.5 Ų103.562%0.61953%0.531SS*.EExtended strand (participates in β ladder)trans-119.2133.6170.5-72.9-170.6-178.1-171.21110.6T819R810-T819 PolarHBondContact N-O 2.85Å; R810-T819 PolarHBondContact O-N 3.18Å
811D35.4Very low35.4Very low143 Ų14397.3 Ų97.377%0.76551%0.505SS*.EExtended strand (participates in β ladder)trans-74.8125177.9-139.1-5.8000109.9
812G33.8Very low35.5Very low25 Ų2596.7 Ų96.726%0.25850%0.498SS..  trans-80.1153-179.600000112.1A814 Q817G812-A814 PolarHBondContact O-N 2.95Å; G812-A814 VanDerWaalsContact O-N 3.12Å; G812-Q817 PolarHBondContact N-O 2.85Å
813R32.2Very low35.8Very low267 Ų26790.5 Ų90.5100%1.00847%0.474SS*.SBendtrans-71-1.3-178.5-70.1-175.2-175.41771.3114.9
814A31Very low36.2Very low51 Ų5191.8 Ų91.842%0.42147%0.474SS..SBendtrans-113135.9174.200000109.6G812 N816 Q817G812-A814 PolarHBondContact O-N 2.95Å; G812-A814 VanDerWaalsContact O-N 3.12Å; A814-N816 PolarHBondContact O-N 2.62Å; A814-Q817 PolarHBondContact O-N 2.7Å
815K30.8Very low36.8Very low207 Ų20793.4 Ų93.490%0.947%0.47SS*.THydrogen-bonded Turntrans-53.4129.9177.1-78.6-178.2174.3-179.20109.4
816N33.3Very low36.9Very low98 Ų9896.6 Ų96.652%0.52449%0.485SS..THydrogen-bonded Turntrans8230.2179.7-51-15.2000117.1L758 A814L758-N816 HydrophobicContact CD1-CB 4.3Å; A814-N816 PolarHBondContact O-N 2.62Å
817Q31.2Very low37.6Very low103 Ų10393.5 Ų93.548%0.48146%0.464SS..  trans-125.9119.6171.7-71.1-172.7-11.800113.5G812 A814G812-Q817 PolarHBondContact N-O 2.85Å; A814-Q817 PolarHBondContact O-N 2.7Å
818C33.7Very low38.1Very low62 Ų6298 Ų9842%0.41947%0.473SS..EExtended strand (participates in β ladder)trans-112.2127.1167.3-79.40000110.3L809L809-C818 HydrophobicContact CD2-CB 4.01Å; L809-C818 HydrophobicContact CG-CB 4.33Å
819T35.2Very low39Very low43 Ų4397.8 Ų97.826%0.26447%0.472SS..EExtended strand (participates in β ladder)trans-105124.9180-50.40000110.5L809 R810 V821L809-T819 WeakPolarHBondContact CA-O 3.42Å; R810-T819 PolarHBondContact N-O 2.85Å; R810-T819 PolarHBondContact O-N 3.18Å; T819-V821 HydrophobicContact CG2-CG2 3.9Å
820L36.2Very low39.7Very low52 Ų5296.5 Ų96.527%0.27247%0.465SS..EExtended strand (participates in β ladder)trans-86.5121171.1-145115.9000109.3L766 A807 L809 F822L766-L820 HydrophobicContact CD1-CD1 4.18Å; A807-L820 HydrophobicContact CB-CD2 3.78Å; A807-L820 HydrophobicContact CB-CG 4.31Å; L809-L820 HydrophobicContact CD1-CD1 3.77Å; L809-L820 HydrophobicContact CD1-CG 4.48Å; L820-F822 HydrophobicContact CD2-CE1 4.32Å; L820-F822 HydrophobicContact CD2-CE2 4.03Å; L820-F822 HydrophobicContact CD2-CZ 3.82Å
821V40.1Very low40.2Very low39 Ų3990.7 Ų90.724%0.23645%0.446CS..EExtended strand (participates in β ladder)trans-120.8110-177.5-179.40000109.2A807 Q808 T819 V823A807-V821 CarbonylContact C-O 3.39Å; A807-V821 WeakPolarHBondContact CA-O 3.37Å; Q808-V821 PolarHBondContact N-O 2.95Å; Q808-V821 PolarHBondContact O-N 2.98Å; T819-V821 HydrophobicContact CG2-CG2 3.9Å; V821-V823 PolarHBondContact O-N 2.81Å
822F44.1Very low40.6Very low71 Ų7186.7 Ų86.731%0.31143%0.433SS..EExtended strand (participates in β ladder)trans-66.6125.8171.6-65.9-83.2000109.3A807 L820 F827 R828A807-F822 HydrophobicContact CB-CD1 3.85Å; A807-F822 HydrophobicContact CB-CE1 4.07Å; A807-F822 HydrophobicContact CB-CG 4.37Å; L820-F822 HydrophobicContact CD2-CE1 4.32Å; L820-F822 HydrophobicContact CD2-CE2 4.03Å; L820-F822 HydrophobicContact CD2-CZ 3.82Å; F822-F827 HydrophobicContact CB-CD1 3.97Å; F822-F827 HydrophobicContact CB-CE1 4.41Å; F822-F827 HydrophobicContact CD1-CD1 4.31Å; F822-F827 HydrophobicContact CD1-CE1 4.16Å; F822-F827 HydrophobicContact CD2-CD1 4.19Å; F822-F827 AromaticContact CD2-CE1 3.78Å; F822-F827 HydrophobicContact CD2-CE1 3.78Å; F822-F827 HydrophobicContact CE1-CE1 4.4Å; F822-F827 HydrophobicContact CE2-CE1 4.05Å; F822-F827 AromaticContact CG-CD1 3.9Å; F822-F827 HydrophobicContact CG-CD1 3.9Å; F822-F827 AromaticContact CG-CE1 3.85Å; F822-F827 HydrophobicContact CG-CE1 3.85Å; F822-F827 HydrophobicContact CZ-CE1 4.35Å; F822-R828 VanDerWaalsContact O-CZ 3.26Å; F822-R828 PolarHBondContact O-NE 2.8Å; F822-R828 PolarHBondContact O-NH2 3.17Å
823V43.2Very low41Very low75 Ų7593.5 Ų93.546%0.45546%0.458SS..  trans-85.5-20-173-165.50000111.1T806 Q808 V821T806-V823 PolarHBondContact O-N 3.37Å; Q808-V823 HydrophobicContact CB-CG2 4.13Å; Q808-V823 HydrophobicContact CG-CG2 3.71Å; V821-V823 PolarHBondContact O-N 2.81Å
824D47.6Very low41.5Very low57 Ų5782.5 Ų82.531%0.30543%0.425SS..  trans-75.3126.5-176.6-154.6-45.2000112.3Y805 K826 F827Y805-D824 HydrophobicContact CD1-CB 3.95Å; Y805-D824 WeakPolarHBondContact CD1-OD2 3.49Å; D824-K826 PolarHBondContact OD1-N 2.82Å; D824-K826 VanDerWaalsContact OD1-N 3.11Å; D824-F827 HydrophobicContact CB-CB 4.42Å
825Q48.3Very low41.7Very low134 Ų13487 Ų8763%0.62644%0.441SS*.Hα-helixtrans-69-35-177.3-176.6175.8-18.300111.8F827 R828 E829Q825-F827 PolarHBondContact O-N 2.89Å; Q825-R828 PolarHBondContact O-N 3.04Å; Q825-E829 WeakPolarHBondContact CG-OE1 3.47Å; Q825-E829 PolarHBondContact NE2-OE1 3.44Å; Q825-E829 PolarHBondContact O-N 2.72Å
826K48.7Very low42.3Very low111 Ų11182.5 Ų82.548%0.48342%0.419SS..Hα-helixtrans-67.1-38.8-176.2-151.4-179.3-177.6-169.20111.5D801 D824 R828 E829 I830D801-K826 IonicContact OD2-NZ 3.62Å; D801-K826 PolarHBondContact OD2-NZ 2.91Å; D824-K826 PolarHBondContact OD1-N 2.82Å; D824-K826 VanDerWaalsContact OD1-N 3.11Å; K826-R828 PolarHBondContact O-N 3.35Å; K826-E829 PolarHBondContact O-N 3.37Å; K826-I830 WeakPolarHBondContact O-CG1 3.45Å; K826-I830 PolarHBondContact O-N 2.87Å
827F47.6Very low42.7Very low23 Ų2382.8 Ų82.810%0.10142%0.42CS..Hα-helixtrans-66.4-34.9177.3-169.6-100.1000113L797 F822 D824 Q825 L831L797-F827 HydrophobicContact CD1-CE2 3.8Å; F822-F827 HydrophobicContact CB-CD1 3.97Å; F822-F827 HydrophobicContact CB-CE1 4.41Å; F822-F827 HydrophobicContact CD1-CD1 4.31Å; F822-F827 HydrophobicContact CD1-CE1 4.16Å; F822-F827 HydrophobicContact CD2-CD1 4.19Å; F822-F827 AromaticContact CD2-CE1 3.78Å; F822-F827 HydrophobicContact CD2-CE1 3.78Å; F822-F827 HydrophobicContact CE1-CE1 4.4Å; F822-F827 HydrophobicContact CE2-CE1 4.05Å; F822-F827 AromaticContact CG-CD1 3.9Å; F822-F827 HydrophobicContact CG-CD1 3.9Å; F822-F827 AromaticContact CG-CE1 3.85Å; F822-F827 HydrophobicContact CG-CE1 3.85Å; F822-F827 HydrophobicContact CZ-CE1 4.35Å; D824-F827 HydrophobicContact CB-CB 4.42Å; Q825-F827 PolarHBondContact O-N 2.89Å; F827-L831 HydrophobicContact CD1-CD1 3.92Å; F827-L831 HydrophobicContact CE1-CD1 3.5Å; F827-L831 HydrophobicContact CZ-CD1 4.14Å; F827-L831 PolarHBondContact O-N 3.45Å
828R48.8Very low42.9Very low131 Ų13188 Ų8849%0.49444%0.436SS..Hα-helixtrans-71.2-33.9176.9-67.3-179.5-178.3-157.74.7112.6F822 Q825 K826 A832F822-R828 VanDerWaalsContact O-CZ 3.26Å; F822-R828 PolarHBondContact O-NE 2.8Å; F822-R828 PolarHBondContact O-NH2 3.17Å; Q825-R828 PolarHBondContact O-N 3.04Å; K826-R828 PolarHBondContact O-N 3.35Å; R828-A832 WeakPolarHBondContact O-CB 3.45Å; R828-A832 PolarHBondContact O-N 2.85Å; R828-A832 VanDerWaalsContact O-N 3.12Å
829E50Low43.2Very low101 Ų10194.3 Ų94.347%0.47245%0.451SS..Hα-helixtrans-71.3-36.9178.5-72.1171.9-172.500111.7Q825 K826 A832 Q833Q825-E829 WeakPolarHBondContact CG-OE1 3.47Å; Q825-E829 PolarHBondContact NE2-OE1 3.44Å; Q825-E829 PolarHBondContact O-N 2.72Å; K826-E829 PolarHBondContact O-N 3.37Å; E829-A832 PolarHBondContact O-N 2.89Å; E829-Q833 WeakPolarHBondContact O-CG 3.36Å; E829-Q833 PolarHBondContact O-N 3.48Å
830I48.4Very low43.7Very low70 Ų7094.9 Ų94.936%0.35945%0.452SS..Hα-helixtrans-66.1-45.2175.1-64.2166.1000111.4L797 K826 A832 Q833L797-I830 HydrophobicContact CD2-CD1 4.1Å; L797-I830 HydrophobicContact CD2-CG2 4.06Å; K826-I830 WeakPolarHBondContact O-CG1 3.45Å; K826-I830 PolarHBondContact O-N 2.87Å; I830-A832 VanDerWaalsContact C-N 3.3Å; I830-A832 PolarHBondContact O-N 3.2Å; I830-Q833 PolarHBondContact O-N 3.11Å
831L43.7Very low44Very low41 Ų4195.8 Ų95.822%0.21546%0.457CS..Hα-helixtrans-65-31.7176.2-84.3168.3000113.2V749 F827 Q833 A834V749-L831 HydrophobicContact CG2-CD1 4.44Å; V749-L831 HydrophobicContact CG2-CD2 3.73Å; F827-L831 HydrophobicContact CD1-CD1 3.92Å; F827-L831 HydrophobicContact CE1-CD1 3.5Å; F827-L831 HydrophobicContact CZ-CD1 4.14Å; F827-L831 PolarHBondContact O-N 3.45Å; L831-Q833 VanDerWaalsContact C-N 3.3Å; L831-Q833 PolarHBondContact O-N 3.19Å; L831-A834 PolarHBondContact O-N 3.04Å
832A44.5Very low44.2Very low59 Ų5999.3 Ų99.349%0.48847%0.471SS..Hα-helixtrans-72.8-20.517800000113.7R828 E829 I830R828-A832 WeakPolarHBondContact O-CB 3.45Å; R828-A832 PolarHBondContact O-N 2.85Å; R828-A832 VanDerWaalsContact O-N 3.12Å; E829-A832 PolarHBondContact O-N 2.89Å; I830-A832 VanDerWaalsContact C-N 3.3Å; I830-A832 PolarHBondContact O-N 3.2Å
833Q42Very low44.4Very low168 Ų168104.9 Ų104.979%0.78549%0.489SS*.Hα-helixtrans-84.9-17.9174.4-69.2179.19.700112.8E829 I830 L831 D835E829-Q833 WeakPolarHBondContact O-CG 3.36Å; E829-Q833 PolarHBondContact O-N 3.48Å; I830-Q833 PolarHBondContact O-N 3.11Å; L831-Q833 VanDerWaalsContact C-N 3.3Å; L831-Q833 PolarHBondContact O-N 3.19Å; Q833-D835 PolarHBondContact O-N 2.92Å
834A43Very low44.6Very low37 Ų37107.7 Ų107.731%0.30650%0.496SS..SBendtrans-8886.1178.300000109.5L831 W836L831-A834 PolarHBondContact O-N 3.04Å; A834-W836 PolarHBondContact O-N 2.75Å
835D35.5Very low44.6Very low145 Ų145107.9 Ų107.978%0.77550%0.499SS*.  trans-76.179.2-175.6-144.28000110.8Q833Q833-D835 PolarHBondContact O-N 2.92Å
836W43.5Very low45Very low112 Ų112102.1 Ų102.142%0.42448%0.475SS..  trans-101103.4-179.7-61.288.3000111.4A834 K844A834-W836 PolarHBondContact O-N 2.75Å; W836-K844 HydrophobicContact CZ3-CD 3.83Å
837N40.4Very low46Very low104 Ų10496.9 Ų96.956%0.55645%0.453SS*.  trans-82.2152.8170.1-82.2-32.7000111.8R839 D840 I841N837-R839 PolarHBondContact O-N 3.23Å; N837-D840 WeakPolarHBondContact O-CB 3.33Å; N837-D840 PolarHBondContact O-N 3.29Å; N837-I841 PolarHBondContact O-N 3.26Å
838R37.1Very low46.9Very low212 Ų212101.2 Ų101.280%0.847%0.469SS*.Hα-helixtrans-52.5-28.6-179.9-160.4176.9-174.1-179.22.5113.9Q842R838-Q842 PolarHBondContact O-N 3.36Å
839R39.8Very low47.5Very low195 Ų19596 Ų9674%0.73645%0.45SS*.Hα-helixtrans-73.5-30.6175-71.3-177.7-175.9166.42.1113.2N837 R843N837-R839 PolarHBondContact O-N 3.23Å; R839-R843 VanDerWaalsContact O-CB 3.29Å; R839-R843 WeakPolarHBondContact O-CB 3.45Å; R839-R843 VanDerWaalsContact O-CG 3.22Å; R839-R843 WeakPolarHBondContact O-CG 3.3Å; R839-R843 PolarHBondContact O-N 3.48Å
840D44.7Very low47.8Very low56 Ų5695.9 Ų95.930%0.29945%0.449SS..Hα-helixtrans-79.8-30.1-180-62.5-47.1000111.8N837 K844N837-D840 WeakPolarHBondContact O-CB 3.33Å; N837-D840 PolarHBondContact O-N 3.29Å; D840-K844 WeakPolarHBondContact O-CB 3.3Å; D840-K844 WeakPolarHBondContact O-CG 3.36Å; D840-K844 PolarHBondContact O-N 3.29Å
841I43.2Very low48.4Very low71 Ų7197.9 Ų97.936%0.36446%0.457SS..Hα-helixtrans-68.1-50.3170.3-62170.9000110N837 R843 K844 T845N837-I841 PolarHBondContact O-N 3.26Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 3.46Å; I841-K844 PolarHBondContact O-N 2.9Å; I841-T845 HydrophobicContact CG2-CG2 4.44Å; I841-T845 PolarHBondContact O-N 2.87Å; I841-T845 PolarHBondContact O-OG1 2.74Å
842Q44.7Very low49.2Very low113 Ų113102.3 Ų102.353%0.52848%0.475SS..Hα-helixtrans-62.1-31.8175.8-77.8-178.7-23.900113.6R838 K844 R922R838-Q842 PolarHBondContact O-N 3.36Å; Q842-K844 VanDerWaalsContact C-N 3.3Å; Q842-R922 PolarHBondContact O-NH1 2.93Å
843R47.2Very low50.4Low187 Ų18799.9 Ų99.971%0.70645%0.454SS*.Hα-helixtrans-69.2-25.5174.1-85.8175.5172.3-177-4.1113.4R839 I841 R922R839-R843 VanDerWaalsContact O-CB 3.29Å; R839-R843 WeakPolarHBondContact O-CB 3.45Å; R839-R843 VanDerWaalsContact O-CG 3.22Å; R839-R843 WeakPolarHBondContact O-CG 3.3Å; R839-R843 PolarHBondContact O-N 3.48Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 3.46Å; R843-R922 WeakPolarHBondContact O-CD 3.39Å
844K48.1Very low52Low135 Ų13595.2 Ų95.259%0.58744%0.437SS*.Hα-helixtrans-104.8-19-175.5-73.1179.5176.8-176.50114.1W836 D840 I841 Q842W836-K844 HydrophobicContact CZ3-CD 3.83Å; D840-K844 WeakPolarHBondContact O-CB 3.3Å; D840-K844 WeakPolarHBondContact O-CG 3.36Å; D840-K844 PolarHBondContact O-N 3.29Å; I841-K844 PolarHBondContact O-N 2.9Å; Q842-K844 VanDerWaalsContact C-N 3.3Å
845T48.2Very low53.9Low61 Ų6196.2 Ų96.237%0.37443%0.433SS..  trans-81.8132172.943.20000111.1I841 N871 R922I841-T845 HydrophobicContact CG2-CG2 4.44Å; I841-T845 PolarHBondContact O-N 2.87Å; I841-T845 PolarHBondContact O-OG1 2.74Å; T845-N871 PolarHBondContact O-ND2 2.98Å; T845-N871 PolarHBondContact OG1-ND2 2.92Å; T845-R922 PolarHBondContact O-NH1 3.18Å
846G56.9Low55.9Low12 Ų1291.4 Ų91.412%0.12441%0.411CS..  trans-73.7179.7170.700000113.8N871G846-N871 PolarHBondContact O-ND2 2.57Å
847P69.1Low57.1Low2 Ų287.6 Ų87.61%0.01340%0.4CS..  trans-67.8144.2176.230.4-36.8000110T870 T872 T876 V918 D920 D925P847-T870 WeakPolarHBondContact CA-O 3.15Å; P847-T872 HydrophobicContact CB-CG2 4.2Å; P847-T876 HydrophobicContact CB-CG2 4.04Å; P847-T876 HydrophobicContact CG-CG2 3.99Å; P847-V918 HydrophobicContact CB-CG1 4.21Å; P847-V918 HydrophobicContact CB-CG2 3.63Å; P847-V918 HydrophobicContact CG-CG1 4.34Å; P847-V918 HydrophobicContact CG-CG2 3.67Å; P847-D920 WeakPolarHBondContact CD-OD1 3.34Å; P847-D920 WeakPolarHBondContact CD-OD2 3.48Å; P847-D920 HydrophobicContact CG-CB 4.22Å; P847-D925 WeakPolarHBondContact O-CB 3.19Å
848Y65.1Low58.2Low113 Ų11384.7 Ų84.744%0.44338%0.384SS..EExtended strand (participates in β ladder)trans-147.2154.2-179.765.3-89.1000112.4T870 N871 D925Y848-T870 WeakPolarHBondContact CE2-OG1 3.29Å; Y848-T870 VanDerWaalsContact CZ-OG1 3.31Å; Y848-T870 PolarHBondContact N-O 3.42Å; Y848-T870 PolarHBondContact O-N 2.81Å; Y848-N871 HydrophobicContact CD1-CB 4.26Å; Y848-N871 HydrophobicContact CE1-CB 3.96Å; Y848-D925 VanDerWaalsContact CA-OD2 3.23Å; Y848-D925 WeakPolarHBondContact CA-OD2 3.28Å; Y848-D925 VanDerWaalsContact CB-OD2 3.28Å; Y848-D925 WeakPolarHBondContact CB-OD2 3.47Å
849F61.8Low58.9Low21 Ų2184.2 Ų84.29%0.09239%0.388CS..EExtended strand (participates in β ladder)trans-74.8126.7177.7-67.6-83.1000110.5E851 C867 V869 I899 A916 V918 D925F849-E851 VanDerWaalsContact C-N 3.32Å; F849-E851 WeakPolarHBondContact CB-O 3.31Å; F849-C867 HydrophobicContact CD1-CB 4.1Å; F849-C867 HydrophobicContact CE1-CB 4.45Å; F849-V869 HydrophobicContact CD1-CG2 3.68Å; F849-V869 HydrophobicContact CE1-CG2 3.68Å; F849-I899 HydrophobicContact CE1-CG2 4.13Å; F849-A916 HydrophobicContact CE1-CB 3.95Å; F849-A916 HydrophobicContact CZ-CB 3.66Å; F849-A916 WeakPolarHBondContact CZ-O 3.43Å; F849-V918 HydrophobicContact CD2-CG1 4.12Å; F849-V918 HydrophobicContact CE2-CB 4.36Å; F849-V918 HydrophobicContact CE2-CG1 3.71Å; F849-V918 HydrophobicContact CZ-CB 4.28Å; F849-V918 HydrophobicContact CZ-CG1 4.06Å; F849-D925 HydrophobicContact CD2-CB 4.23Å; F849-D925 WeakPolarHBondContact CD2-OD2 3.42Å; F849-D925 WeakPolarHBondContact CE2-O 3.46Å; F849-D925 PolarHBondContact N-OD2 2.98Å
850Q56.3Low59.4Low99 Ų9981.1 Ų81.146%0.46339%0.386SS..SBendtrans-74.4-29.4177.1-170.2173.2-800111.2K868 T870Q850-K868 HydrophobicContact CB-CB 4.35Å; Q850-K868 HydrophobicContact CB-CG 4.42Å; Q850-K868 WeakPolarHBondContact CB-O 3.47Å; Q850-K868 PolarHBondContact N-O 3.43Å; Q850-K868 VanDerWaalsContact OE1-CD 3.24Å; Q850-K868 VanDerWaalsContact OE1-CE 3.23Å; Q850-T870 HydrophobicContact CB-CG2 4.21Å
851E61.7Low59.9Low113 Ų11379.9 Ų79.953%0.52838%0.381SS..SBendtrans-138.2176.9-177.7-61-171.2179.100111.1F849 C867F849-E851 VanDerWaalsContact C-N 3.32Å; F849-E851 WeakPolarHBondContact CB-O 3.31Å; E851-C867 PolarHBondContact O-SG 2.87Å
852F60.4Low61.2Low134 Ų13479.1 Ų79.159%0.58838%0.376SS*.  trans-80.2160.9169.1-67.6-72.6000110.5C867F852-C867 PolarHBondContact O-SG 3.18Å
853L70.5Confident62.8Low7 Ų773.8 Ų73.84%0.03735%0.351CS..  trans-60.3136170.4-78.7167.7000110.3I865 C867 W880 A916 S927 L929L853-I865 HydrophobicContact CD2-CG2 4.07Å; L853-C867 HydrophobicContact CD2-CB 3.82Å; L853-C867 HydrophobicContact CG-CB 4.36Å; L853-W880 HydrophobicContact CD1-CH2 4.45Å; L853-W880 HydrophobicContact CD1-CZ3 3.99Å; L853-W880 HydrophobicContact CD2-CH2 3.17Å; L853-W880 HydrophobicContact CD2-CZ2 4.1Å; L853-W880 HydrophobicContact CD2-CZ3 3.54Å; L853-W880 HydrophobicContact CG-CH2 4.45Å; L853-W880 HydrophobicContact CG-CZ3 4.45Å; L853-A916 HydrophobicContact CD1-CB 3.96Å; L853-A916 HydrophobicContact CD2-CB 4.16Å; L853-A916 HydrophobicContact CG-CB 4.44Å; L853-S927 WeakPolarHBondContact CD1-O 3.23Å; L853-S927 PolarHBondContact N-OG 3.23Å; L853-L929 HydrophobicContact CB-CB 3.66Å; L853-L929 HydrophobicContact CD1-CB 4.24Å
854T75.8Confident64.4Low71 Ų7166 Ų6644%0.43632%0.323SS..EExtended strand (participates in β ladder)trans-126.4154.5177.356.80000109.8I865 Q866T854-I865 CarbonylContact O-C 3.57Å; T854-I865 VanDerWaalsContact O-CA 3.29Å; T854-I865 WeakPolarHBondContact O-CA 3.25Å; T854-Q866 PolarHBondContact N-O 3.48Å; T854-Q866 PolarHBondContact O-N 3.45Å; T854-Q866 PolarHBondContact OG1-O 3.25Å
855W82.9Confident66.1Low58 Ų5859.6 Ų59.622%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-117.8149.917570-97.4000111.6V857 L863 I864 I865 L929 L931 E935 L939W855-V857 HydrophobicContact CZ3-CG2 4.36Å; W855-L863 HydrophobicContact CB-CD1 3.89Å; W855-L863 HydrophobicContact CE3-CD1 4.11Å; W855-I864 CarbonylContact C-O 3.58Å; W855-I864 VanDerWaalsContact CA-O 3.25Å; W855-I864 WeakPolarHBondContact CA-O 3.22Å; W855-I865 HydrophobicContact CB-CG1 4.19Å; W855-L929 HydrophobicContact CB-CD2 4.06Å; W855-L931 HydrophobicContact CD2-CD1 4.09Å; W855-L931 HydrophobicContact CG-CD1 3.86Å; W855-E935 HydrophobicContact CZ2-CB 4.26Å; W855-E935 PolarHBondContact NE1-OE2 3.21Å; W855-L939 HydrophobicContact CE3-CD1 3.94Å; W855-L939 HydrophobicContact CH2-CB 4.02Å; W855-L939 HydrophobicContact CH2-CD1 4.46Å; W855-L939 HydrophobicContact CZ3-CB 4.08Å; W855-L939 HydrophobicContact CZ3-CD1 3.77Å; W855-L939 HydrophobicContact CZ3-CG 4.33Å
856S76.3Confident67.9Low44 Ų4459.9 Ų59.931%0.30829%0.292SS..EExtended strand (participates in β ladder)trans-151.9166.5174.7590000110.4I864S856-I864 PolarHBondContact N-O 3Å; S856-I864 PolarHBondContact O-N 2.91Å
857V68.6Low68.7Low32 Ų3259.6 Ų59.619%0.19429%0.289CS..EExtended strand (participates in β ladder)trans-113.3126173.2-178.70000107.9W855 E862 L939 L943W855-V857 HydrophobicContact CZ3-CG2 4.36Å; V857-E862 WeakPolarHBondContact CA-O 3.28Å; V857-L939 HydrophobicContact CG2-CD1 3.93Å; V857-L939 HydrophobicContact CG2-CG 4.12Å; V857-L943 HydrophobicContact CG1-CD2 3.9Å
858N63.1Low69.1Low43 Ų4363.8 Ų63.823%0.2331%0.307CS..  trans-82.1177179.372.89.3000111.9D860 C861 E862 I864N858-D860 PolarHBondContact O-N 2.78Å; N858-D860 VanDerWaalsContact O-N 3.17Å; N858-D860 WeakPolarHBondContact OD1-CA 3.21Å; N858-D860 PolarHBondContact OD1-N 2.84Å; N858-C861 PolarHBondContact O-N 2.83Å; N858-C861 PolarHBondContact OD1-N 2.75Å; N858-E862 PolarHBondContact N-O 2.79Å; N858-E862 PolarHBondContact ND2-OE2 2.82Å; N858-E862 VanDerWaalsContact ND2-OE2 3.09Å; N858-E862 WeakPolarHBondContact OD1-CB 3.43Å; N858-E862 PolarHBondContact OD1-N 3.01Å; N858-I864 HydrophobicContact CB-CG1 4.06Å
859K52.1Low69.4Low202 Ų20258.6 Ų58.688%0.87829%0.287SS*.THydrogen-bonded Turntrans-64-18.1-179.7-66.8-179.2-179.6175.50113.7C861K859-C861 VanDerWaalsContact C-N 3.32Å
860D51.1Low69.9Low130 Ų13059.1 Ų59.170%0.69529%0.292SS*.THydrogen-bonded Turntrans-94.911.2178.1-56.8-52.4000112.1N858 E862N858-D860 PolarHBondContact O-N 2.78Å; N858-D860 VanDerWaalsContact O-N 3.17Å; N858-D860 WeakPolarHBondContact OD1-CA 3.21Å; N858-D860 PolarHBondContact OD1-N 2.84Å; D860-E862 VanDerWaalsContact C-N 3.26Å; D860-E862 HydrophobicContact CB-CG 4.27Å; D860-E862 PolarHBondContact O-N 2.89Å
861C55.5Low70.6Confident29 Ų2956.5 Ų56.520%0.19628%0.281CS..SBendtrans61.625.7-178.4-60.90000114.6N858 K859 L943N858-C861 PolarHBondContact O-N 2.83Å; N858-C861 PolarHBondContact OD1-N 2.75Å; K859-C861 VanDerWaalsContact C-N 3.32Å; C861-L943 HydrophobicContact CB-CD2 3.67Å
862E70.6Confident71Confident56 Ų5653.5 Ų53.526%0.26227%0.271SS..  trans-87.6140.3172.4-46.7-174.1138.800110.9V857 N858 D860 I864 S902 I903 S904V857-E862 WeakPolarHBondContact CA-O 3.28Å; N858-E862 PolarHBondContact N-O 2.79Å; N858-E862 PolarHBondContact ND2-OE2 2.82Å; N858-E862 VanDerWaalsContact ND2-OE2 3.09Å; N858-E862 WeakPolarHBondContact OD1-CB 3.43Å; N858-E862 PolarHBondContact OD1-N 3.01Å; D860-E862 VanDerWaalsContact C-N 3.26Å; D860-E862 HydrophobicContact CB-CG 4.27Å; D860-E862 PolarHBondContact O-N 2.89Å; E862-I864 HydrophobicContact CB-CD1 4.2Å; E862-I864 PolarHBondContact O-N 2.88Å; E862-S902 PolarHBondContact OE2-OG 3.35Å; E862-I903 WeakPolarHBondContact CA-O 3.34Å; E862-S904 WeakPolarHBondContact OE1-CB 3.44Å
863L76.9Confident71.8Confident1 Ų149.7 Ų49.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-77.9117.6170.116859.7000109.1W855 I865 I903 V906 L931 L939W855-L863 HydrophobicContact CB-CD1 3.89Å; W855-L863 HydrophobicContact CE3-CD1 4.11Å; L863-I865 HydrophobicContact CD1-CG1 4.27Å; L863-I865 HydrophobicContact CG-CG1 4.27Å; L863-I903 HydrophobicContact CB-CB 4.3Å; L863-I903 HydrophobicContact CD2-CD1 4.21Å; L863-I903 PolarHBondContact N-O 3.18Å; L863-I903 PolarHBondContact O-N 3.29Å; L863-V906 HydrophobicContact CB-CG2 3.66Å; L863-L931 HydrophobicContact CD2-CD2 4.06Å; L863-L939 HydrophobicContact CB-CD1 4.48Å; L863-L939 HydrophobicContact CD1-CD1 3.72Å; L863-L939 HydrophobicContact CD2-CD1 4.3Å; L863-L939 HydrophobicContact CG-CD1 4.38Å
864I81.9Confident71.9Confident23 Ų2359.9 Ų59.912%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-106.4118.1177.4-52.7-56.6000109.1W855 S856 N858 E862 Q866 S902W855-I864 CarbonylContact C-O 3.58Å; W855-I864 VanDerWaalsContact CA-O 3.25Å; W855-I864 WeakPolarHBondContact CA-O 3.22Å; S856-I864 PolarHBondContact N-O 3Å; S856-I864 PolarHBondContact O-N 2.91Å; N858-I864 HydrophobicContact CB-CG1 4.06Å; E862-I864 HydrophobicContact CB-CD1 4.2Å; E862-I864 PolarHBondContact O-N 2.88Å; I864-Q866 HydrophobicContact CG2-CB 4.41Å; I864-Q866 HydrophobicContact CG2-CG 4.4Å; I864-S902 VanDerWaalsContact CD1-OG 3.23Å; I864-S902 WeakPolarHBondContact CD1-OG 3.41Å
865I84.1Confident72Confident0 Ų060.3 Ų60.30%030%0.3CS..EExtended strand (participates in β ladder)trans-107.3122.8170.9-55.7175.6000108.3L853 T854 W855 L863 W880 S900 L901 Y914 L929L853-I865 HydrophobicContact CD2-CG2 4.07Å; T854-I865 CarbonylContact O-C 3.57Å; T854-I865 VanDerWaalsContact O-CA 3.29Å; T854-I865 WeakPolarHBondContact O-CA 3.25Å; W855-I865 HydrophobicContact CB-CG1 4.19Å; L863-I865 HydrophobicContact CD1-CG1 4.27Å; L863-I865 HydrophobicContact CG-CG1 4.27Å; I865-W880 HydrophobicContact CB-CH2 4.35Å; I865-W880 HydrophobicContact CB-CZ3 4.39Å; I865-W880 HydrophobicContact CG2-CH2 3.83Å; I865-W880 HydrophobicContact CG2-CZ3 3.75Å; I865-S900 CarbonylContact O-C 3.33Å; I865-S900 VanDerWaalsContact O-CA 3.31Å; I865-S900 WeakPolarHBondContact O-CA 3.42Å; I865-L901 HydrophobicContact CB-CB 4.42Å; I865-L901 PolarHBondContact N-O 2.82Å; I865-L901 PolarHBondContact O-N 2.99Å; I865-Y914 HydrophobicContact CD1-CD1 3.49Å; I865-Y914 VanDerWaalsContact CD1-CD1 3.49Å; I865-Y914 HydrophobicContact CD1-CD2 3.7Å; I865-Y914 HydrophobicContact CD1-CE1 3.6Å; I865-Y914 HydrophobicContact CD1-CE2 3.83Å; I865-Y914 HydrophobicContact CD1-CG 3.52Å; I865-L929 HydrophobicContact CD1-CD2 4.38Å; I865-L929 HydrophobicContact CG1-CD2 4.39Å; I865-L929 HydrophobicContact CG2-CD2 3.73Å
866Q84.8Confident71.9Confident67 Ų6758.5 Ų58.531%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-147.7160.2-172.864.4-178.1-7.800114.6T854 I864 I898 I899T854-Q866 PolarHBondContact N-O 3.48Å; T854-Q866 PolarHBondContact O-N 3.45Å; T854-Q866 PolarHBondContact OG1-O 3.25Å; I864-Q866 HydrophobicContact CG2-CB 4.41Å; I864-Q866 HydrophobicContact CG2-CG 4.4Å; Q866-I898 HydrophobicContact CB-CG2 4.17Å; Q866-I899 CarbonylContact C-O 3.56Å; Q866-I899 WeakPolarHBondContact CA-O 3.32Å; Q866-I899 WeakPolarHBondContact CB-O 3.46Å
867C74.6Confident72Confident7 Ų758.7 Ų58.75%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-155.9157.9172.5-166.60000112.1F849 E851 F852 L853 I898 I899F849-C867 HydrophobicContact CD1-CB 4.1Å; F849-C867 HydrophobicContact CE1-CB 4.45Å; E851-C867 PolarHBondContact O-SG 2.87Å; F852-C867 PolarHBondContact O-SG 3.18Å; L853-C867 HydrophobicContact CD2-CB 3.82Å; L853-C867 HydrophobicContact CG-CB 4.36Å; C867-I898 WeakPolarHBondContact O-CA 3.24Å; C867-I899 HydrophobicContact CB-CG2 4.39Å; C867-I899 PolarHBondContact N-O 3.39Å; C867-I899 PolarHBondContact O-N 2.82Å
868K76.6Confident72.8Confident90 Ų9058.8 Ų58.839%0.39130%0.295SS..EExtended strand (participates in β ladder)trans-93.4131.9174.3-172.3169.1179.4177.60111.5Q850Q850-K868 HydrophobicContact CB-CB 4.35Å; Q850-K868 HydrophobicContact CB-CG 4.42Å; Q850-K868 WeakPolarHBondContact CB-O 3.47Å; Q850-K868 PolarHBondContact N-O 3.43Å; Q850-K868 VanDerWaalsContact OE1-CD 3.24Å; Q850-K868 VanDerWaalsContact OE1-CE 3.23Å
869V72.3Confident73.6Confident4 Ų460.9 Ų60.92%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-118.3140.2-179.9-172.70000109.6F849 T872 F878 G897 I899 V918F849-V869 HydrophobicContact CD1-CG2 3.68Å; F849-V869 HydrophobicContact CE1-CG2 3.68Å; V869-T872 HydrophobicContact CB-CG2 4.35Å; V869-T872 HydrophobicContact CG1-CG2 3.68Å; V869-F878 HydrophobicContact CB-CE1 4.4Å; V869-F878 HydrophobicContact CG1-CE1 4.19Å; V869-F878 HydrophobicContact CG2-CE1 4.32Å; V869-G897 PolarHBondContact N-O 3.33Å; V869-I899 HydrophobicContact CG2-CB 4.47Å; V869-I899 HydrophobicContact CG2-CG2 3.87Å; V869-V918 HydrophobicContact CG1-CB 4.3Å; V869-V918 HydrophobicContact CG1-CG1 4.03Å; V869-V918 HydrophobicContact CG1-CG2 4Å
870T72.2Confident75.2Confident32 Ų3251.2 Ų51.220%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-128.4167.5-178.4610000111.8P847 Y848 Q850 T872P847-T870 WeakPolarHBondContact CA-O 3.15Å; Y848-T870 WeakPolarHBondContact CE2-OG1 3.29Å; Y848-T870 VanDerWaalsContact CZ-OG1 3.31Å; Y848-T870 PolarHBondContact N-O 3.42Å; Y848-T870 PolarHBondContact O-N 2.81Å; Q850-T870 HydrophobicContact CB-CG2 4.21Å; T870-T872 PolarHBondContact O-N 2.98Å
871N70.2Confident76.6Confident43 Ų4347.1 Ų47.123%0.2324%0.236CC..SBendtrans61.329.7-179.1-165.432.4000113.9T845 G846 Y848 R922T845-N871 PolarHBondContact O-ND2 2.98Å; T845-N871 PolarHBondContact OG1-ND2 2.92Å; G846-N871 PolarHBondContact O-ND2 2.57Å; Y848-N871 HydrophobicContact CD1-CB 4.26Å; Y848-N871 HydrophobicContact CE1-CB 3.96Å; N871-R922 PolarHBondContact O-NH2 3.02Å; N871-R922 PolarHBondContact OD1-NH1 2.67Å
872T71.8Confident77.9Confident51 Ų5147.8 Ų47.831%0.31324%0.235SC..  trans-77.3154.4176.661.10000111.3P847 V869 T870 T876 F878 Y892P847-T872 HydrophobicContact CB-CG2 4.2Å; V869-T872 HydrophobicContact CB-CG2 4.35Å; V869-T872 HydrophobicContact CG1-CG2 3.68Å; T870-T872 PolarHBondContact O-N 2.98Å; T872-T876 WeakPolarHBondContact CA-OG1 3.35Å; T872-T876 HydrophobicContact CG2-CG2 4.04Å; T872-F878 HydrophobicContact CG2-CZ 4.07Å; T872-Y892 PolarHBondContact OG1-OH 3.23Å
873N75.8Confident78.4Confident54 Ų5449.7 Ų49.729%0.28925%0.247SC..  trans-137.6-173.9178.7666.9000109.9D875 T876 D920 R922N873-D875 VanDerWaalsContact C-N 3.28Å; N873-D875 PolarHBondContact ND2-OD1 2.74Å; N873-D875 PolarHBondContact O-N 2.89Å; N873-D875 PolarHBondContact OD1-N 2.8Å; N873-D875 PolarHBondContact OD1-OD1 3.21Å; N873-T876 PolarHBondContact N-OG1 2.75Å; N873-T876 WeakPolarHBondContact O-CB 3.41Å; N873-T876 PolarHBondContact O-N 3.3Å; N873-T876 PolarHBondContact O-OG1 3.5Å; N873-T876 PolarHBondContact OD1-N 2.98Å; N873-T876 PolarHBondContact OD1-OG1 3.15Å; N873-D920 PolarHBondContact ND2-OD2 3.24Å; N873-D920 PolarHBondContact OD1-OD2 3.15Å; N873-R922 VanDerWaalsContact CG-NH2 3.34Å; N873-R922 PolarHBondContact ND2-NE 3.4Å; N873-R922 PolarHBondContact ND2-NH2 2.87Å; N873-R922 VanDerWaalsContact ND2-NH2 3.12Å
874K73Confident78.2Confident220 Ų22052.6 Ų52.696%0.95728%0.277SS*.THydrogen-bonded Turntrans-69.3-23.2-176.1-69-173177.4-176.40113.8
875D77.9Confident77.9Confident81 Ų8158 Ų5843%0.43331%0.305SS..THydrogen-bonded Turntrans-96.34.4177.953.6-58.1000113.6N873 S877 S921N873-D875 VanDerWaalsContact C-N 3.28Å; N873-D875 PolarHBondContact ND2-OD1 2.74Å; N873-D875 PolarHBondContact O-N 2.89Å; N873-D875 PolarHBondContact OD1-N 2.8Å; N873-D875 PolarHBondContact OD1-OD1 3.21Å; D875-S877 PolarHBondContact O-N 3.19Å; D875-S921 WeakPolarHBondContact OD2-CB 3.23Å; D875-S921 PolarHBondContact OD2-N 2.72Å; D875-S921 PolarHBondContact OD2-OG 3.47Å
876T80.7Confident77.9Confident20 Ų2062.6 Ų62.612%0.12333%0.327CS..  trans-68.2122.9177.4-58.80000111P847 T872 N873 F878 V918P847-T876 HydrophobicContact CB-CG2 4.04Å; P847-T876 HydrophobicContact CG-CG2 3.99Å; T872-T876 WeakPolarHBondContact CA-OG1 3.35Å; T872-T876 HydrophobicContact CG2-CG2 4.04Å; N873-T876 PolarHBondContact N-OG1 2.75Å; N873-T876 WeakPolarHBondContact O-CB 3.41Å; N873-T876 PolarHBondContact O-N 3.3Å; N873-T876 PolarHBondContact O-OG1 3.5Å; N873-T876 PolarHBondContact OD1-N 2.98Å; N873-T876 PolarHBondContact OD1-OG1 3.15Å; T876-F878 HydrophobicContact CG2-CE1 4.01Å; T876-F878 HydrophobicContact CG2-CE2 3.85Å; T876-F878 HydrophobicContact CG2-CZ 3.55Å; T876-V918 HydrophobicContact CG2-CG2 3.33Å
877S79Confident77.8Confident48 Ų4861.4 Ų61.434%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-104.1148.5176.282.90000111.2D875 V918 S919D875-S877 PolarHBondContact O-N 3.19Å; S877-V918 WeakPolarHBondContact O-CA 3.38Å; S877-S919 PolarHBondContact N-O 2.92Å; S877-S919 PolarHBondContact O-N 3.31Å; S877-S919 PolarHBondContact OG-O 3.41Å; S877-S919 PolarHBondContact OG-OG 3.09Å
878F84.5Confident77.3Confident34 Ų3470.1 Ų70.115%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-129.2133.4-179.3-58.8-83.6000109.7V869 T872 T876 L890 Y892 I899 V917 V918V869-F878 HydrophobicContact CB-CE1 4.4Å; V869-F878 HydrophobicContact CG1-CE1 4.19Å; V869-F878 HydrophobicContact CG2-CE1 4.32Å; T872-F878 HydrophobicContact CG2-CZ 4.07Å; T876-F878 HydrophobicContact CG2-CE1 4.01Å; T876-F878 HydrophobicContact CG2-CE2 3.85Å; T876-F878 HydrophobicContact CG2-CZ 3.55Å; F878-L890 VanDerWaalsContact O-CD1 3.3Å; F878-L890 WeakPolarHBondContact O-CD1 3.48Å; F878-Y892 HydrophobicContact CD2-CD1 4.04Å; F878-Y892 HydrophobicContact CD2-CE1 4.38Å; F878-Y892 HydrophobicContact CD2-CG 4.12Å; F878-Y892 HydrophobicContact CE1-CD2 4.24Å; F878-Y892 HydrophobicContact CE1-CE2 4.04Å; F878-Y892 AromaticContact CE2-CD1 3.44Å; F878-Y892 HydrophobicContact CE2-CD1 3.44Å; F878-Y892 VanDerWaalsContact CE2-CD1 3.44Å; F878-Y892 HydrophobicContact CE2-CD2 4.05Å; F878-Y892 AromaticContact CE2-CE1 3.36Å; F878-Y892 HydrophobicContact CE2-CE1 3.36Å; F878-Y892 HydrophobicContact CE2-CE2 4.03Å; F878-Y892 AromaticContact CE2-CG 3.79Å; F878-Y892 HydrophobicContact CE2-CG 3.79Å; F878-Y892 AromaticContact CE2-CZ 3.71Å; F878-Y892 AromaticContact CZ-CD1 3.97Å; F878-Y892 HydrophobicContact CZ-CD1 3.97Å; F878-Y892 AromaticContact CZ-CD2 3.87Å; F878-Y892 HydrophobicContact CZ-CD2 3.87Å; F878-Y892 AromaticContact CZ-CE1 3.57Å; F878-Y892 HydrophobicContact CZ-CE1 3.57Å; F878-Y892 AromaticContact CZ-CE2 3.52Å; F878-Y892 HydrophobicContact CZ-CE2 3.52Å; F878-Y892 HydrophobicContact CZ-CG 4.11Å; F878-Y892 AromaticContact CZ-CZ 3.37Å; F878-I899 HydrophobicContact CB-CD1 3.68Å; F878-I899 HydrophobicContact CD1-CD1 3.68Å; F878-I899 HydrophobicContact CG-CD1 3.96Å; F878-V917 WeakPolarHBondContact CA-O 3.44Å; F878-V918 HydrophobicContact CD1-CB 3.97Å; F878-V918 HydrophobicContact CD1-CG2 3.61Å; F878-V918 HydrophobicContact CE1-CB 4.09Å; F878-V918 HydrophobicContact CE1-CG2 3.38Å; F878-V918 HydrophobicContact CZ-CG2 4.14Å
879K81.1Confident76.4Confident86 Ų8672.9 Ų72.937%0.37438%0.378SS..EExtended strand (participates in β ladder)trans-134.2141.2177.5-64-178.6176.3-175.70110.3F881 E886 A916 V917K879-F881 HydrophobicContact CB-CE2 3.75Å; K879-F881 HydrophobicContact CB-CZ 4.17Å; K879-F881 HydrophobicContact CD-CZ 4.3Å; K879-E886 WeakPolarHBondContact CD-OE1 3.46Å; K879-A916 CarbonylContact O-C 3.5Å; K879-A916 WeakPolarHBondContact O-CA 3.28Å; K879-V917 HydrophobicContact CB-CB 4.36Å; K879-V917 PolarHBondContact N-O 2.88Å; K879-V917 PolarHBondContact O-N 2.83Å
880W85.1Confident76Confident0 Ų075.7 Ų75.70%039%0.393CS..EExtended strand (participates in β ladder)trans-115.7147.9171.2-73.277.6000110.9L853 I865 E886 I887 L890 I899 L901 R915 A916L853-W880 HydrophobicContact CD1-CH2 4.45Å; L853-W880 HydrophobicContact CD1-CZ3 3.99Å; L853-W880 HydrophobicContact CD2-CH2 3.17Å; L853-W880 HydrophobicContact CD2-CZ2 4.1Å; L853-W880 HydrophobicContact CD2-CZ3 3.54Å; L853-W880 HydrophobicContact CG-CH2 4.45Å; L853-W880 HydrophobicContact CG-CZ3 4.45Å; I865-W880 HydrophobicContact CB-CH2 4.35Å; I865-W880 HydrophobicContact CB-CZ3 4.39Å; I865-W880 HydrophobicContact CG2-CH2 3.83Å; I865-W880 HydrophobicContact CG2-CZ3 3.75Å; W880-E886 CarbonylContact O-C 3.56Å; W880-E886 VanDerWaalsContact O-CA 3.29Å; W880-E886 WeakPolarHBondContact O-CA 3.29Å; W880-I887 HydrophobicContact CB-CB 4.14Å; W880-I887 HydrophobicContact CB-CD1 4.22Å; W880-I887 HydrophobicContact CB-CG1 4.43Å; W880-I887 PolarHBondContact O-N 2.72Å; W880-L890 HydrophobicContact CB-CD2 3.84Å; W880-L890 HydrophobicContact CG-CD2 3.72Å; W880-I899 HydrophobicContact CZ2-CB 4.49Å; W880-I899 HydrophobicContact CZ2-CD1 4.13Å; W880-I899 HydrophobicContact CZ2-CG1 3.92Å; W880-I899 HydrophobicContact CZ2-CG2 4.1Å; W880-I899 VanDerWaalsContact NE1-CG1 3.31Å; W880-L901 HydrophobicContact CD2-CB 4.3Å; W880-L901 HydrophobicContact CE3-CB 4.36Å; W880-L901 HydrophobicContact CE3-CD2 4.19Å; W880-L901 HydrophobicContact CH2-CB 4.17Å; W880-L901 HydrophobicContact CZ2-CB 4.19Å; W880-L901 HydrophobicContact CZ3-CB 4.3Å; W880-R915 CarbonylContact C-O 3.55Å; W880-R915 VanDerWaalsContact CA-O 3.3Å; W880-R915 WeakPolarHBondContact CA-O 3.25Å; W880-A916 HydrophobicContact CD2-CB 3.96Å; W880-A916 HydrophobicContact CE3-CB 3.94Å; W880-A916 HydrophobicContact CH2-CB 4.17Å; W880-A916 HydrophobicContact CZ2-CB 4.12Å; W880-A916 HydrophobicContact CZ3-CB 4.04Å
881F79.3Confident75.4Confident44 Ų4477 Ų7719%0.19340%0.403CS..EExtended strand (participates in β ladder)trans-131.3139.6175-55.6-98.5000109.3K879 L885 E886 Y914 R915 V917K879-F881 HydrophobicContact CB-CE2 3.75Å; K879-F881 HydrophobicContact CB-CZ 4.17Å; K879-F881 HydrophobicContact CD-CZ 4.3Å; F881-L885 CarbonylContact C-O 3.56Å; F881-L885 WeakPolarHBondContact CA-O 3.45Å; F881-E886 HydrophobicContact CD1-CB 4Å; F881-E886 HydrophobicContact CE1-CB 3.81Å; F881-E886 HydrophobicContact CE1-CG 4.17Å; F881-E886 HydrophobicContact CZ-CG 4.44Å; F881-Y914 CarbonylContact O-C 3.45Å; F881-Y914 WeakPolarHBondContact O-CA 3.28Å; F881-R915 HydrophobicContact CB-CB 4.23Å; F881-R915 PolarHBondContact N-O 2.85Å; F881-R915 PolarHBondContact O-N 2.79Å; F881-V917 HydrophobicContact CD2-CG2 4.06Å; F881-V917 HydrophobicContact CE2-CB 4.32Å; F881-V917 HydrophobicContact CE2-CG2 3.64Å
882K84.7Confident75.3Confident43 Ų4377.6 Ų77.619%0.18740%0.403CS..EExtended strand (participates in β ladder)trans-118120.4165.4-179.7-177178.2-164.10108.2G884 L885 I887 K909 E910 S913 Y914K882-G884 PolarHBondContact O-N 2.81Å; K882-G884 VanDerWaalsContact O-N 3.07Å; K882-L885 PolarHBondContact N-O 3.17Å; K882-L885 WeakPolarHBondContact O-CB 3.38Å; K882-L885 PolarHBondContact O-N 3.39Å; K882-I887 HydrophobicContact CB-CD1 4Å; K882-I887 HydrophobicContact CB-CG1 4.39Å; K882-K909 VanDerWaalsContact CE-O 3.28Å; K882-K909 WeakPolarHBondContact CE-O 3.48Å; K882-K909 PolarHBondContact NZ-O 3.47Å; K882-E910 IonicContact NZ-OE1 3.09Å; K882-E910 PolarHBondContact NZ-OE1 2.97Å; K882-S913 CarbonylContact C-O 3.5Å; K882-S913 WeakPolarHBondContact CA-O 3.41Å; K882-Y914 HydrophobicContact CB-CD1 4.36Å; K882-Y914 HydrophobicContact CB-CE1 4.24Å; K882-Y914 HydrophobicContact CD-CE1 3.95Å; K882-Y914 WeakPolarHBondContact CE-OH 3.32Å; K882-Y914 HydrophobicContact CG-CD1 4.45Å; K882-Y914 HydrophobicContact CG-CE1 4.03Å
883D80.3Confident75Confident95 Ų9578.3 Ų78.351%0.50841%0.405SS..THydrogen-bonded Turntrans50.834.9-176.9-54.6-47.7000113.1G912 S913D883-G912 WeakPolarHBondContact OD1-CA 3.48Å; D883-S913 PolarHBondContact N-O 3.31Å; D883-S913 PolarHBondContact OD1-N 3.08Å
884G72.9Confident74.1Confident62 Ų6283.6 Ų83.664%0.63943%0.428SS*.THydrogen-bonded Turntrans84.9-2.2-178.700000115.9K882K882-G884 PolarHBondContact O-N 2.81Å; K882-G884 VanDerWaalsContact O-N 3.07Å
885L74.6Confident73.4Confident136 Ų13679.4 Ų79.471%0.71242%0.421SS*.EExtended strand (participates in β ladder)trans-94.9127.8175.4-64.4173.4000111.4F881 K882F881-L885 CarbonylContact C-O 3.56Å; F881-L885 WeakPolarHBondContact CA-O 3.45Å; K882-L885 PolarHBondContact N-O 3.17Å; K882-L885 WeakPolarHBondContact O-CB 3.38Å; K882-L885 PolarHBondContact O-N 3.39Å
886E84.1Confident72.8Confident98 Ų9878.6 Ų78.646%0.45842%0.419SS..EExtended strand (participates in β ladder)trans-69.4128.8-178.3-170.6175.5-165.200112.1K879 W880 F881K879-E886 WeakPolarHBondContact CD-OE1 3.46Å; W880-E886 CarbonylContact O-C 3.56Å; W880-E886 VanDerWaalsContact O-CA 3.29Å; W880-E886 WeakPolarHBondContact O-CA 3.29Å; F881-E886 HydrophobicContact CD1-CB 4Å; F881-E886 HydrophobicContact CE1-CB 3.81Å; F881-E886 HydrophobicContact CE1-CG 4.17Å; F881-E886 HydrophobicContact CZ-CG 4.44Å
887I82.8Confident72.5Confident42 Ų4278.1 Ų78.122%0.21542%0.418CS..EExtended strand (participates in β ladder)trans-94126.6175.4-51176000108.3W880 K882 L901W880-I887 HydrophobicContact CB-CB 4.14Å; W880-I887 HydrophobicContact CB-CD1 4.22Å; W880-I887 HydrophobicContact CB-CG1 4.43Å; W880-I887 PolarHBondContact O-N 2.72Å; K882-I887 HydrophobicContact CB-CD1 4Å; K882-I887 HydrophobicContact CB-CG1 4.39Å; I887-L901 HydrophobicContact CD1-CD1 4.15Å; I887-L901 HydrophobicContact CD1-CD2 3.64Å; I887-L901 HydrophobicContact CG2-CD1 4.11Å
888K64.1Low72.4Confident190 Ų19078.4 Ų78.483%0.82642%0.415SS*.  trans-95.6-10-171-66.3-174.3176.9-178.70115.3
889D58.5Low72.2Confident147 Ų14776.8 Ų76.879%0.78641%0.408SS*.  trans-110.3100.8-174-142.4-1.5000109.2
890L63.6Low72.2Confident64 Ų6474 Ų7434%0.33540%0.399SS..  trans-126.2134.6-165.3-55.9-178.5000111.5F878 W880F878-L890 VanDerWaalsContact O-CD1 3.3Å; F878-L890 WeakPolarHBondContact O-CD1 3.48Å; W880-L890 HydrophobicContact CB-CD2 3.84Å; W880-L890 HydrophobicContact CG-CD2 3.72Å
891S59.2Low72.1Confident58 Ų5874.5 Ų74.541%0.40640%0.401SS..EExtended strand (participates in β ladder)trans-103.8120.216850.40000110.5S900S891-S900 PolarHBondContact O-N 3.12Å; S891-S900 VanDerWaalsContact O-N 3.09Å; S891-S900 PolarHBondContact OG-O 2.84Å; S891-S900 PolarHBondContact OG-OG 3.32Å
892Y68.6Low72.1Confident57 Ų5774.9 Ų74.922%0.22441%0.41CS..EExtended strand (participates in β ladder)trans-124.2121.6171.4172.4-121.7000109.6T872 F878 Q894 I898 I899T872-Y892 PolarHBondContact OG1-OH 3.23Å; F878-Y892 HydrophobicContact CD2-CD1 4.04Å; F878-Y892 HydrophobicContact CD2-CE1 4.38Å; F878-Y892 HydrophobicContact CD2-CG 4.12Å; F878-Y892 HydrophobicContact CE1-CD2 4.24Å; F878-Y892 HydrophobicContact CE1-CE2 4.04Å; F878-Y892 AromaticContact CE2-CD1 3.44Å; F878-Y892 HydrophobicContact CE2-CD1 3.44Å; F878-Y892 VanDerWaalsContact CE2-CD1 3.44Å; F878-Y892 HydrophobicContact CE2-CD2 4.05Å; F878-Y892 AromaticContact CE2-CE1 3.36Å; F878-Y892 HydrophobicContact CE2-CE1 3.36Å; F878-Y892 HydrophobicContact CE2-CE2 4.03Å; F878-Y892 AromaticContact CE2-CG 3.79Å; F878-Y892 HydrophobicContact CE2-CG 3.79Å; F878-Y892 AromaticContact CE2-CZ 3.71Å; F878-Y892 AromaticContact CZ-CD1 3.97Å; F878-Y892 HydrophobicContact CZ-CD1 3.97Å; F878-Y892 AromaticContact CZ-CD2 3.87Å; F878-Y892 HydrophobicContact CZ-CD2 3.87Å; F878-Y892 AromaticContact CZ-CE1 3.57Å; F878-Y892 HydrophobicContact CZ-CE1 3.57Å; F878-Y892 AromaticContact CZ-CE2 3.52Å; F878-Y892 HydrophobicContact CZ-CE2 3.52Å; F878-Y892 HydrophobicContact CZ-CG 4.11Å; F878-Y892 AromaticContact CZ-CZ 3.37Å; Y892-Q894 HydrophobicContact CD1-CG 3.66Å; Y892-Q894 HydrophobicContact CE1-CB 4.21Å; Y892-Q894 HydrophobicContact CE1-CG 3.31Å; Y892-Q894 PolarHBondContact O-N 2.8Å; Y892-I898 WeakPolarHBondContact CD2-O 3.11Å; Y892-I899 HydrophobicContact CD2-CB 4.31Å
893D66.2Low71.7Confident66 Ų6674.2 Ų74.235%0.35341%0.408SS..EExtended strand (participates in β ladder)trans-91.4102.6173.4179.70.9000109.7T895 T896 G897 I898D893-T895 PolarHBondContact O-N 3.44Å; D893-T895 WeakPolarHBondContact OD1-CA 3.46Å; D893-T895 VanDerWaalsContact OD1-CB 3.26Å; D893-T895 WeakPolarHBondContact OD1-CB 2.97Å; D893-T895 PolarHBondContact OD1-N 2.65Å; D893-T895 PolarHBondContact OD1-OG1 2.81Å; D893-T895 VanDerWaalsContact OD1-OG1 3.11Å; D893-T896 WeakPolarHBondContact CB-OG1 3.3Å; D893-T896 PolarHBondContact O-N 3.05Å; D893-T896 PolarHBondContact OD1-N 2.83Å; D893-T896 WeakPolarHBondContact OD2-CB 3.23Å; D893-T896 WeakPolarHBondContact OD2-CG2 3.2Å; D893-T896 PolarHBondContact OD2-OG1 2.83Å; D893-G897 WeakPolarHBondContact O-CA 3.17Å; D893-G897 PolarHBondContact O-N 3.41Å; D893-I898 PolarHBondContact N-O 2.94Å; D893-I898 PolarHBondContact O-N 3.11Å
894Q55.9Low70.6Confident164 Ų16473.7 Ų73.777%0.76641%0.412SS*.THydrogen-bonded Turntrans-60.9-21.6177.8-80.7-175.7-2.200113.8Y892Y892-Q894 HydrophobicContact CD1-CG 3.66Å; Y892-Q894 HydrophobicContact CE1-CB 4.21Å; Y892-Q894 HydrophobicContact CE1-CG 3.31Å; Y892-Q894 PolarHBondContact O-N 2.8Å
895T58.7Low69.9Low133 Ų13378.2 Ų78.282%0.81642%0.416SS*.THydrogen-bonded Turntrans-83.4-41.7-175.5-35.60000111D893D893-T895 PolarHBondContact O-N 3.44Å; D893-T895 WeakPolarHBondContact OD1-CA 3.46Å; D893-T895 VanDerWaalsContact OD1-CB 3.26Å; D893-T895 WeakPolarHBondContact OD1-CB 2.97Å; D893-T895 PolarHBondContact OD1-N 2.65Å; D893-T895 PolarHBondContact OD1-OG1 2.81Å; D893-T895 VanDerWaalsContact OD1-OG1 3.11Å
896T65.6Low69.2Low64 Ų6473.4 Ų73.439%0.39339%0.393SS..THydrogen-bonded Turntrans-94.5-16.5-178.3600000113D893 I898D893-T896 WeakPolarHBondContact CB-OG1 3.3Å; D893-T896 PolarHBondContact O-N 3.05Å; D893-T896 PolarHBondContact OD1-N 2.83Å; D893-T896 WeakPolarHBondContact OD2-CB 3.23Å; D893-T896 WeakPolarHBondContact OD2-CG2 3.2Å; D893-T896 PolarHBondContact OD2-OG1 2.83Å; T896-I898 VanDerWaalsContact C-N 3.25Å
897G73.1Confident68Low9 Ų971.8 Ų71.89%0.09339%0.389CS..THydrogen-bonded Turntrans72.918.6-174.700000112.7V869 D893V869-G897 PolarHBondContact N-O 3.33Å; D893-G897 WeakPolarHBondContact O-CA 3.17Å; D893-G897 PolarHBondContact O-N 3.41Å
898I78.5Confident66.8Low54 Ų5477.2 Ų77.228%0.27741%0.411SS..EExtended strand (participates in β ladder)trans-93.4128.1-178.3-61.4174.4000109.4Q866 C867 Y892 D893 T896Q866-I898 HydrophobicContact CB-CG2 4.17Å; C867-I898 WeakPolarHBondContact O-CA 3.24Å; Y892-I898 WeakPolarHBondContact CD2-O 3.11Å; D893-I898 PolarHBondContact N-O 2.94Å; D893-I898 PolarHBondContact O-N 3.11Å; T896-I898 VanDerWaalsContact C-N 3.25Å
899I79.8Confident66.7Low1 Ų176.1 Ų76.11%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-100.1130.3166.9-167.1-179.3000108.8F849 Q866 C867 V869 F878 W880 Y892F849-I899 HydrophobicContact CE1-CG2 4.13Å; Q866-I899 CarbonylContact C-O 3.56Å; Q866-I899 WeakPolarHBondContact CA-O 3.32Å; Q866-I899 WeakPolarHBondContact CB-O 3.46Å; C867-I899 HydrophobicContact CB-CG2 4.39Å; C867-I899 PolarHBondContact N-O 3.39Å; C867-I899 PolarHBondContact O-N 2.82Å; V869-I899 HydrophobicContact CG2-CB 4.47Å; V869-I899 HydrophobicContact CG2-CG2 3.87Å; F878-I899 HydrophobicContact CB-CD1 3.68Å; F878-I899 HydrophobicContact CD1-CD1 3.68Å; F878-I899 HydrophobicContact CG-CD1 3.96Å; W880-I899 HydrophobicContact CZ2-CB 4.49Å; W880-I899 HydrophobicContact CZ2-CD1 4.13Å; W880-I899 HydrophobicContact CZ2-CG1 3.92Å; W880-I899 HydrophobicContact CZ2-CG2 4.1Å; W880-I899 VanDerWaalsContact NE1-CG1 3.31Å; Y892-I899 HydrophobicContact CD2-CB 4.31Å
900S81.6Confident67.4Low26 Ų2670.2 Ų70.218%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-136.1151.9-177.757.50000112.6I865 S891I865-S900 CarbonylContact O-C 3.33Å; I865-S900 VanDerWaalsContact O-CA 3.31Å; I865-S900 WeakPolarHBondContact O-CA 3.42Å; S891-S900 PolarHBondContact O-N 3.12Å; S891-S900 VanDerWaalsContact O-N 3.09Å; S891-S900 PolarHBondContact OG-O 2.84Å; S891-S900 PolarHBondContact OG-OG 3.32Å
901L82.3Confident67.7Low11 Ų1168.1 Ų68.16%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-126.5114.9171.8176.468.4000107.4I865 W880 I887 I903 Y914I865-L901 HydrophobicContact CB-CB 4.42Å; I865-L901 PolarHBondContact N-O 2.82Å; I865-L901 PolarHBondContact O-N 2.99Å; W880-L901 HydrophobicContact CD2-CB 4.3Å; W880-L901 HydrophobicContact CE3-CB 4.36Å; W880-L901 HydrophobicContact CE3-CD2 4.19Å; W880-L901 HydrophobicContact CH2-CB 4.17Å; W880-L901 HydrophobicContact CZ2-CB 4.19Å; W880-L901 HydrophobicContact CZ3-CB 4.3Å; I887-L901 HydrophobicContact CD1-CD1 4.15Å; I887-L901 HydrophobicContact CD1-CD2 3.64Å; I887-L901 HydrophobicContact CG2-CD1 4.11Å; L901-I903 HydrophobicContact CD2-CD1 4.38Å; L901-I903 HydrophobicContact CG-CG1 4.34Å; L901-Y914 HydrophobicContact CD2-CD1 3.75Å; L901-Y914 HydrophobicContact CD2-CE1 3.76Å
902S79.9Confident68.4Low53 Ų5366.2 Ų66.237%0.37136%0.356SS..EExtended strand (participates in β ladder)trans-98.3135.8173.3-176.90000110.8E862 I864E862-S902 PolarHBondContact OE2-OG 3.35Å; I864-S902 VanDerWaalsContact CD1-OG 3.23Å; I864-S902 WeakPolarHBondContact CD1-OG 3.41Å
903I75.5Confident68.9Low29 Ų2965.1 Ų65.115%0.14936%0.356CS..EExtended strand (participates in β ladder)trans-125.3104.9177.2-53175.7000108.4E862 L863 L901 E910 Y914E862-I903 WeakPolarHBondContact CA-O 3.34Å; L863-I903 HydrophobicContact CB-CB 4.3Å; L863-I903 HydrophobicContact CD2-CD1 4.21Å; L863-I903 PolarHBondContact N-O 3.18Å; L863-I903 PolarHBondContact O-N 3.29Å; L901-I903 HydrophobicContact CD2-CD1 4.38Å; L901-I903 HydrophobicContact CG-CG1 4.34Å; I903-E910 HydrophobicContact CD1-CG 4.33Å; I903-E910 HydrophobicContact CG2-CG 3.9Å; I903-Y914 HydrophobicContact CD1-CE1 3.95Å; I903-Y914 WeakPolarHBondContact CD1-OH 3.27Å
904S56.7Low69.6Low83 Ų8362 Ų6258%0.5834%0.339SS*.SBendtrans-82.1-14.7-176.757.80000114.6E862E862-S904 WeakPolarHBondContact OE1-CB 3.44Å
905Q59.3Low70.7Confident157 Ų15759.8 Ų59.873%0.73432%0.324SS*.SBendtrans-121.883.3178.2-64.8-176.5700110.2T907Q905-T907 PolarHBondContact O-N 3.38Å
906V58.9Low71.7Confident36 Ų3653.4 Ų53.422%0.21829%0.285CS..  trans-83.4118.3-177.9-168.50000110.8L863 E910 Y936 L939L863-V906 HydrophobicContact CB-CG2 3.66Å; V906-E910 HydrophobicContact CG1-CB 4.28Å; V906-E910 HydrophobicContact CG1-CG 4.45Å; V906-Y936 HydrophobicContact CG1-CE2 4.24Å; V906-L939 HydrophobicContact CG1-CD2 3.74Å
907T59.3Low72.3Confident63 Ų6350.9 Ų50.939%0.38727%0.27SS..  trans-128.6174.9176.178.80000110.2Q905 K909 E910 Y936Q905-T907 PolarHBondContact O-N 3.38Å; T907-K909 PolarHBondContact O-N 3.48Å; T907-K909 WeakPolarHBondContact OG1-CB 3.2Å; T907-K909 PolarHBondContact OG1-N 3.46Å; T907-E910 VanDerWaalsContact C-OE2 3.24Å; T907-E910 WeakPolarHBondContact CA-OE2 3.39Å; T907-E910 VanDerWaalsContact CB-OE2 3.24Å; T907-E910 WeakPolarHBondContact CB-OE2 3.48Å; T907-E910 PolarHBondContact N-OE2 3.4Å; T907-E910 WeakPolarHBondContact O-CB 3.37Å; T907-E910 PolarHBondContact O-N 3.29Å; T907-E910 PolarHBondContact OG1-OE2 3.46Å; T907-Y936 VanDerWaalsContact O-CE2 3.25Å; T907-Y936 WeakPolarHBondContact O-CE2 3.23Å
908K58.6Low72.5Confident157 Ų15750.5 Ų50.568%0.68327%0.265SS*.G310 helixtrans-59-15.9174.2-82.9-167.2174.3-163.60113.6E910 Y936K908-E910 PolarHBondContact O-N 3.49Å; K908-Y936 WeakPolarHBondContact CA-OH 3.44Å; K908-Y936 HydrophobicContact CB-CE1 4.49Å; K908-Y936 HydrophobicContact CG-CE1 3.57Å; K908-Y936 PolarHBondContact N-OH 2.64Å
909K61.4Low72.5Confident166 Ų16649 Ų4972%0.72226%0.259SS*.G310 helixtrans-73.9-12.3177-61.8-178.6177.7178.80112.3K882 T907K882-K909 VanDerWaalsContact CE-O 3.28Å; K882-K909 WeakPolarHBondContact CE-O 3.48Å; K882-K909 PolarHBondContact NZ-O 3.47Å; T907-K909 PolarHBondContact O-N 3.48Å; T907-K909 WeakPolarHBondContact OG1-CB 3.2Å; T907-K909 PolarHBondContact OG1-N 3.46Å
910E72.4Confident72.5Confident24 Ų2450 Ų5011%0.11227%0.265CS..G310 helixtrans-85.2-10.7-179.5-76.251.2-107.900113.1K882 I903 V906 T907 K908 Y914K882-E910 IonicContact NZ-OE1 3.09Å; K882-E910 PolarHBondContact NZ-OE1 2.97Å; I903-E910 HydrophobicContact CD1-CG 4.33Å; I903-E910 HydrophobicContact CG2-CG 3.9Å; V906-E910 HydrophobicContact CG1-CB 4.28Å; V906-E910 HydrophobicContact CG1-CG 4.45Å; T907-E910 VanDerWaalsContact C-OE2 3.24Å; T907-E910 WeakPolarHBondContact CA-OE2 3.39Å; T907-E910 VanDerWaalsContact CB-OE2 3.24Å; T907-E910 WeakPolarHBondContact CB-OE2 3.48Å; T907-E910 PolarHBondContact N-OE2 3.4Å; T907-E910 WeakPolarHBondContact O-CB 3.37Å; T907-E910 PolarHBondContact O-N 3.29Å; T907-E910 PolarHBondContact OG1-OE2 3.46Å; K908-E910 PolarHBondContact O-N 3.49Å; E910-Y914 VanDerWaalsContact O-CE2 3.31Å; E910-Y914 WeakPolarHBondContact O-CE2 3.44Å; E910-Y914 PolarHBondContact O-OH 2.95Å
911A70.9Confident71.9Confident20 Ų2053.6 Ų53.617%0.16529%0.29CS..  trans-65134.9164.600000109.7
912G74Confident71.4Confident18 Ų1856.4 Ų56.419%0.18630%0.3CS..EExtended strand (participates in β ladder)trans156.2-178.7-175.300000114.5D883 L931D883-G912 WeakPolarHBondContact OD1-CA 3.48Å; G912-L931 PolarHBondContact N-O 2.91Å; G912-L931 PolarHBondContact O-N 2.73Å
913S78.7Confident70.3Confident33 Ų3355.3 Ų55.323%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-92.4116.3178.8-173.80000110.5K882 D883K882-S913 CarbonylContact C-O 3.5Å; K882-S913 WeakPolarHBondContact CA-O 3.41Å; D883-S913 PolarHBondContact N-O 3.31Å; D883-S913 PolarHBondContact OD1-N 3.08Å
914Y80.8Confident69.6Low0 Ų060.2 Ų60.20%032%0.319CS..EExtended strand (participates in β ladder)trans-99.5129.1174.3-69.7-94.8000109.7I865 F881 K882 L901 I903 E910 T928 L929 L931I865-Y914 HydrophobicContact CD1-CD1 3.49Å; I865-Y914 VanDerWaalsContact CD1-CD1 3.49Å; I865-Y914 HydrophobicContact CD1-CD2 3.7Å; I865-Y914 HydrophobicContact CD1-CE1 3.6Å; I865-Y914 HydrophobicContact CD1-CE2 3.83Å; I865-Y914 HydrophobicContact CD1-CG 3.52Å; F881-Y914 CarbonylContact O-C 3.45Å; F881-Y914 WeakPolarHBondContact O-CA 3.28Å; K882-Y914 HydrophobicContact CB-CD1 4.36Å; K882-Y914 HydrophobicContact CB-CE1 4.24Å; K882-Y914 HydrophobicContact CD-CE1 3.95Å; K882-Y914 WeakPolarHBondContact CE-OH 3.32Å; K882-Y914 HydrophobicContact CG-CD1 4.45Å; K882-Y914 HydrophobicContact CG-CE1 4.03Å; L901-Y914 HydrophobicContact CD2-CD1 3.75Å; L901-Y914 HydrophobicContact CD2-CE1 3.76Å; I903-Y914 HydrophobicContact CD1-CE1 3.95Å; I903-Y914 WeakPolarHBondContact CD1-OH 3.27Å; E910-Y914 VanDerWaalsContact O-CE2 3.31Å; E910-Y914 WeakPolarHBondContact O-CE2 3.44Å; E910-Y914 PolarHBondContact O-OH 2.95Å; Y914-T928 CarbonylContact O-C 3.43Å; Y914-T928 VanDerWaalsContact O-CA 3.3Å; Y914-T928 WeakPolarHBondContact O-CA 3.42Å; Y914-T928 WeakPolarHBondContact O-CG2 3.41Å; Y914-L929 PolarHBondContact N-O 3.12Å; Y914-L929 PolarHBondContact O-N 2.77Å; Y914-L931 HydrophobicContact CD2-CB 4.45Å; Y914-L931 HydrophobicContact CE2-CB 4.33Å
915R78.1Confident69.9Low118 Ų11858.7 Ų58.745%0.44531%0.305SS..EExtended strand (participates in β ladder)trans-127.8128.9178.5177.9-171.5-62-177.42.9109.9W880 F881 V917 V926 S927W880-R915 CarbonylContact C-O 3.55Å; W880-R915 VanDerWaalsContact CA-O 3.3Å; W880-R915 WeakPolarHBondContact CA-O 3.25Å; F881-R915 HydrophobicContact CB-CB 4.23Å; F881-R915 PolarHBondContact N-O 2.85Å; F881-R915 PolarHBondContact O-N 2.79Å; R915-V917 HydrophobicContact CG-CG2 4.23Å; R915-V926 HydrophobicContact CG-CG1 3.55Å; R915-S927 CarbonylContact C-O 3.46Å; R915-S927 WeakPolarHBondContact CA-O 3.14Å
916A80.3Confident70.1Confident0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-106.8135.7169.200000109.2F849 L853 K879 W880 V926 S927F849-A916 HydrophobicContact CE1-CB 3.95Å; F849-A916 HydrophobicContact CZ-CB 3.66Å; F849-A916 WeakPolarHBondContact CZ-O 3.43Å; L853-A916 HydrophobicContact CD1-CB 3.96Å; L853-A916 HydrophobicContact CD2-CB 4.16Å; L853-A916 HydrophobicContact CG-CB 4.44Å; K879-A916 CarbonylContact O-C 3.5Å; K879-A916 WeakPolarHBondContact O-CA 3.28Å; W880-A916 HydrophobicContact CD2-CB 3.96Å; W880-A916 HydrophobicContact CE3-CB 3.94Å; W880-A916 HydrophobicContact CH2-CB 4.17Å; W880-A916 HydrophobicContact CZ2-CB 4.12Å; W880-A916 HydrophobicContact CZ3-CB 4.04Å; A916-V926 WeakPolarHBondContact O-CA 3.49Å; A916-S927 PolarHBondContact N-O 2.82Å; A916-S927 PolarHBondContact O-N 2.9Å
917V77.6Confident70.6Confident11 Ų1152.7 Ų52.77%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-121.2129.8176.5-178.90000107.7F878 K879 F881 R915 E924 V926F878-V917 WeakPolarHBondContact CA-O 3.44Å; K879-V917 HydrophobicContact CB-CB 4.36Å; K879-V917 PolarHBondContact N-O 2.88Å; K879-V917 PolarHBondContact O-N 2.83Å; F881-V917 HydrophobicContact CD2-CG2 4.06Å; F881-V917 HydrophobicContact CE2-CB 4.32Å; F881-V917 HydrophobicContact CE2-CG2 3.64Å; R915-V917 HydrophobicContact CG-CG2 4.23Å; V917-E924 VanDerWaalsContact CG1-CD 3.45Å; V917-E924 HydrophobicContact CG1-CG 3.62Å; V917-E924 WeakPolarHBondContact CG1-OE2 3.17Å; V917-V926 HydrophobicContact CG1-CG2 4.24Å; V917-V926 HydrophobicContact CG2-CG1 4.19Å; V917-V926 HydrophobicContact CG2-CG2 4.07Å
918V78.8Confident71Confident0 Ų052.6 Ų52.60%028%0.278CS..EExtended strand (participates in β ladder)trans-117.9130.9170.164.50000109.1P847 F849 V869 T876 S877 F878 E924 D925P847-V918 HydrophobicContact CB-CG1 4.21Å; P847-V918 HydrophobicContact CB-CG2 3.63Å; P847-V918 HydrophobicContact CG-CG1 4.34Å; P847-V918 HydrophobicContact CG-CG2 3.67Å; F849-V918 HydrophobicContact CD2-CG1 4.12Å; F849-V918 HydrophobicContact CE2-CB 4.36Å; F849-V918 HydrophobicContact CE2-CG1 3.71Å; F849-V918 HydrophobicContact CZ-CB 4.28Å; F849-V918 HydrophobicContact CZ-CG1 4.06Å; V869-V918 HydrophobicContact CG1-CB 4.3Å; V869-V918 HydrophobicContact CG1-CG1 4.03Å; V869-V918 HydrophobicContact CG1-CG2 4Å; T876-V918 HydrophobicContact CG2-CG2 3.33Å; S877-V918 WeakPolarHBondContact O-CA 3.38Å; F878-V918 HydrophobicContact CD1-CB 3.97Å; F878-V918 HydrophobicContact CD1-CG2 3.61Å; F878-V918 HydrophobicContact CE1-CB 4.09Å; F878-V918 HydrophobicContact CE1-CG2 3.38Å; F878-V918 HydrophobicContact CZ-CG2 4.14Å; V918-E924 CarbonylContact O-C 3.53Å; V918-E924 WeakPolarHBondContact O-CA 3.32Å; V918-D925 HydrophobicContact CG1-CB 4.01Å; V918-D925 PolarHBondContact N-O 3.07Å; V918-D925 PolarHBondContact O-N 2.92Å
919S77.9Confident72Confident22 Ų2246.2 Ų46.215%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-147.8148.1-179.758.10000113.2S877 G923S877-S919 PolarHBondContact N-O 2.92Å; S877-S919 PolarHBondContact O-N 3.31Å; S877-S919 PolarHBondContact OG-O 3.41Å; S877-S919 PolarHBondContact OG-OG 3.09Å; S919-G923 WeakPolarHBondContact CA-O 3.25Å
920D79.4Confident72.6Confident24 Ų2444.2 Ų44.213%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-142.7-169.7169.476.5-5000110.7P847 N873 R922 G923P847-D920 WeakPolarHBondContact CD-OD1 3.34Å; P847-D920 WeakPolarHBondContact CD-OD2 3.48Å; P847-D920 HydrophobicContact CG-CB 4.22Å; N873-D920 PolarHBondContact ND2-OD2 3.24Å; N873-D920 PolarHBondContact OD1-OD2 3.15Å; D920-R922 PolarHBondContact O-N 2.81Å; D920-R922 VanDerWaalsContact O-N 3.16Å; D920-R922 VanDerWaalsContact OD1-CA 3.3Å; D920-R922 WeakPolarHBondContact OD1-CA 3.5Å; D920-R922 VanDerWaalsContact OD1-CB 3.28Å; D920-R922 WeakPolarHBondContact OD1-CB 3.26Å; D920-R922 PolarHBondContact OD1-N 2.92Å; D920-R922 IonicContact OD1-NE 2.7Å; D920-R922 IonicContact OD2-CZ 2.9Å; D920-R922 IonicContact OD2-NE 3.91Å; D920-R922 PolarHBondContact OD2-NE 2.69Å; D920-R922 IonicContact OD2-NH2 3.55Å; D920-R922 PolarHBondContact OD2-NH2 3.26Å; D920-G923 PolarHBondContact N-O 3.02Å; D920-G923 PolarHBondContact O-N 3.02Å; D920-G923 PolarHBondContact OD1-N 3.46Å
921S69.1Low72.5Confident101 Ų10143.3 Ų43.371%0.70624%0.241SC*.THydrogen-bonded Turntrans-63.9-12.8177.454.40000115.4D875D875-S921 WeakPolarHBondContact OD2-CB 3.23Å; D875-S921 PolarHBondContact OD2-N 2.72Å; D875-S921 PolarHBondContact OD2-OG 3.47Å
922R72Confident72.3Confident70 Ų7046.4 Ų46.426%0.26425%0.254SS..THydrogen-bonded Turntrans-103.3-19.6-177.3-59171.4-70.7162.21.5112.7Q842 R843 T845 N871 N873 D920Q842-R922 PolarHBondContact O-NH1 2.93Å; R843-R922 WeakPolarHBondContact O-CD 3.39Å; T845-R922 PolarHBondContact O-NH1 3.18Å; N871-R922 PolarHBondContact O-NH2 3.02Å; N871-R922 PolarHBondContact OD1-NH1 2.67Å; N873-R922 VanDerWaalsContact CG-NH2 3.34Å; N873-R922 PolarHBondContact ND2-NE 3.4Å; N873-R922 PolarHBondContact ND2-NH2 2.87Å; N873-R922 VanDerWaalsContact ND2-NH2 3.12Å; D920-R922 PolarHBondContact O-N 2.81Å; D920-R922 VanDerWaalsContact O-N 3.16Å; D920-R922 VanDerWaalsContact OD1-CA 3.3Å; D920-R922 WeakPolarHBondContact OD1-CA 3.5Å; D920-R922 VanDerWaalsContact OD1-CB 3.28Å; D920-R922 WeakPolarHBondContact OD1-CB 3.26Å; D920-R922 PolarHBondContact OD1-N 2.92Å; D920-R922 IonicContact OD1-NE 2.7Å; D920-R922 IonicContact OD2-CZ 2.9Å; D920-R922 IonicContact OD2-NE 3.91Å; D920-R922 PolarHBondContact OD2-NE 2.69Å; D920-R922 IonicContact OD2-NH2 3.55Å; D920-R922 PolarHBondContact OD2-NH2 3.26Å
923G56.8Low71.5Confident29 Ų2951.3 Ų51.330%0.29928%0.276SS..EExtended strand (participates in β ladder)trans165.7173.2175.600000114.5S919 D920S919-G923 WeakPolarHBondContact CA-O 3.25Å; D920-G923 PolarHBondContact N-O 3.02Å; D920-G923 PolarHBondContact O-N 3.02Å; D920-G923 PolarHBondContact OD1-N 3.46Å
924E61.5Low70.3Confident132 Ų13254.4 Ų54.462%0.61729%0.29SS*.EExtended strand (participates in β ladder)trans-124.5141.3176.6177170.610200109.8V917 V918 V926V917-E924 VanDerWaalsContact CG1-CD 3.45Å; V917-E924 HydrophobicContact CG1-CG 3.62Å; V917-E924 WeakPolarHBondContact CG1-OE2 3.17Å; V918-E924 CarbonylContact O-C 3.53Å; V918-E924 WeakPolarHBondContact O-CA 3.32Å; E924-V926 HydrophobicContact CG-CG2 4.44Å
925D61.3Low69Low52 Ų5257.3 Ų57.328%0.27830%0.303SS..EExtended strand (participates in β ladder)trans-132.1153.5171.7-168.623.2000110.5P847 Y848 F849 V918P847-D925 WeakPolarHBondContact O-CB 3.19Å; Y848-D925 VanDerWaalsContact CA-OD2 3.23Å; Y848-D925 WeakPolarHBondContact CA-OD2 3.28Å; Y848-D925 VanDerWaalsContact CB-OD2 3.28Å; Y848-D925 WeakPolarHBondContact CB-OD2 3.47Å; F849-D925 HydrophobicContact CD2-CB 4.23Å; F849-D925 WeakPolarHBondContact CD2-OD2 3.42Å; F849-D925 WeakPolarHBondContact CE2-O 3.46Å; F849-D925 PolarHBondContact N-OD2 2.98Å; V918-D925 HydrophobicContact CG1-CB 4.01Å; V918-D925 PolarHBondContact N-O 3.07Å; V918-D925 PolarHBondContact O-N 2.92Å
926V64.6Low68.1Low62 Ų6252.2 Ų52.238%0.37628%0.284SS..EExtended strand (participates in β ladder)trans-136.8130.6-171-175.40000110.8R915 A916 V917 E924R915-V926 HydrophobicContact CG-CG1 3.55Å; A916-V926 WeakPolarHBondContact O-CA 3.49Å; V917-V926 HydrophobicContact CG1-CG2 4.24Å; V917-V926 HydrophobicContact CG2-CG1 4.19Å; V917-V926 HydrophobicContact CG2-CG2 4.07Å; E924-V926 HydrophobicContact CG-CG2 4.44Å
927S70Confident67.1Low5 Ų556.8 Ų56.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-120.8140172-167.80000110L853 R915 A916L853-S927 WeakPolarHBondContact CD1-O 3.23Å; L853-S927 PolarHBondContact N-OG 3.23Å; R915-S927 CarbonylContact C-O 3.46Å; R915-S927 WeakPolarHBondContact CA-O 3.14Å; A916-S927 PolarHBondContact N-O 2.82Å; A916-S927 PolarHBondContact O-N 2.9Å
928T66.6Low66.3Low61 Ų6162.1 Ų62.137%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-130.4139-177.9-52.50000110.1Y914Y914-T928 CarbonylContact O-C 3.43Å; Y914-T928 VanDerWaalsContact O-CA 3.3Å; Y914-T928 WeakPolarHBondContact O-CA 3.42Å; Y914-T928 WeakPolarHBondContact O-CG2 3.41Å
929L79.4Confident65.4Low23 Ų2362.1 Ų62.112%0.1233%0.331CS..EExtended strand (participates in β ladder)trans-123.1129.3172.6172.568.3000108.6L853 W855 I865 Y914L853-L929 HydrophobicContact CB-CB 3.66Å; L853-L929 HydrophobicContact CD1-CB 4.24Å; W855-L929 HydrophobicContact CB-CD2 4.06Å; I865-L929 HydrophobicContact CD1-CD2 4.38Å; I865-L929 HydrophobicContact CG1-CD2 4.39Å; I865-L929 HydrophobicContact CG2-CD2 3.73Å; Y914-L929 PolarHBondContact N-O 3.12Å; Y914-L929 PolarHBondContact O-N 2.77Å
930E74.9Confident64.5Low124 Ų12464 Ų6458%0.57934%0.339SS*.EExtended strand (participates in β ladder)trans-101.2113169.4-67.7-166.8169.500109.2L932E930-L932 HydrophobicContact CB-CD2 4.37Å; E930-L932 PolarHBondContact O-N 3.33Å
931L69.4Low63.5Low5 Ų567.8 Ų67.83%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-87.793.9173.4-164.275.1000108.5W855 L863 G912 Y914W855-L931 HydrophobicContact CD2-CD1 4.09Å; W855-L931 HydrophobicContact CG-CD1 3.86Å; L863-L931 HydrophobicContact CD2-CD2 4.06Å; G912-L931 PolarHBondContact N-O 2.91Å; G912-L931 PolarHBondContact O-N 2.73Å; Y914-L931 HydrophobicContact CD2-CB 4.45Å; Y914-L931 HydrophobicContact CE2-CB 4.33Å
932L66.1Low62.9Low85 Ų8567.2 Ų67.245%0.44534%0.342SS..  trans-75151.9-176.6-60.6173.4000111.6E930 N934 E935 Y936E930-L932 HydrophobicContact CB-CD2 4.37Å; E930-L932 PolarHBondContact O-N 3.33Å; L932-N934 WeakPolarHBondContact CB-OD1 3.41Å; L932-N934 PolarHBondContact O-N 2.83Å; L932-N934 VanDerWaalsContact O-N 3.09Å; L932-E935 WeakPolarHBondContact O-CA 3.45Å; L932-E935 PolarHBondContact O-N 2.98Å; L932-Y936 PolarHBondContact O-N 2.89Å
933D57Low62Low120 Ų12065 Ų6564%0.64234%0.335SS*.Hα-helixtrans-54.8-32.5-178.3-79.6-24.8000113.7Y936 D937D933-Y936 WeakPolarHBondContact O-CB 3.44Å; D933-Y936 PolarHBondContact O-N 2.83Å; D933-D937 PolarHBondContact O-N 2.87Å
934N54.8Low61.7Low99 Ų9966.7 Ų66.753%0.52934%0.342SS..Hα-helixtrans-75.5-27.9176.763.7-18.5000113.7L932 K938L932-N934 WeakPolarHBondContact CB-OD1 3.41Å; L932-N934 PolarHBondContact O-N 2.83Å; L932-N934 VanDerWaalsContact O-N 3.09Å; N934-K938 PolarHBondContact O-N 2.92Å
935E53.1Low61.2Low60 Ų6065.9 Ų65.928%0.2834%0.339SS..Hα-helixtrans-77.7-32.3170.1-63.4-159162.700110.8W855 L932 K938 L939W855-E935 HydrophobicContact CZ2-CB 4.26Å; W855-E935 PolarHBondContact NE1-OE2 3.21Å; L932-E935 WeakPolarHBondContact O-CA 3.45Å; L932-E935 PolarHBondContact O-N 2.98Å; E935-K938 WeakPolarHBondContact O-CB 3.28Å; E935-K938 PolarHBondContact O-N 2.9Å; E935-L939 WeakPolarHBondContact O-CB 3.46Å; E935-L939 PolarHBondContact O-N 2.79Å
936Y59.7Low60.6Low12 Ų1268.1 Ų68.15%0.04735%0.347CS..Hα-helixtrans-63.5-40.4169.4178-92000112.1V906 T907 K908 L932 D933 K938 L939 L940V906-Y936 HydrophobicContact CG1-CE2 4.24Å; T907-Y936 VanDerWaalsContact O-CE2 3.25Å; T907-Y936 WeakPolarHBondContact O-CE2 3.23Å; K908-Y936 WeakPolarHBondContact CA-OH 3.44Å; K908-Y936 HydrophobicContact CB-CE1 4.49Å; K908-Y936 HydrophobicContact CG-CE1 3.57Å; K908-Y936 PolarHBondContact N-OH 2.64Å; L932-Y936 PolarHBondContact O-N 2.89Å; D933-Y936 WeakPolarHBondContact O-CB 3.44Å; D933-Y936 PolarHBondContact O-N 2.83Å; Y936-K938 VanDerWaalsContact C-N 3.33Å; Y936-K938 PolarHBondContact O-N 3.24Å; Y936-L939 HydrophobicContact CD2-CD2 4.37Å; Y936-L939 HydrophobicContact CE2-CD2 4.42Å; Y936-L939 CarbonylContact O-C 3.51Å; Y936-L939 WeakPolarHBondContact O-CB 2.9Å; Y936-L939 PolarHBondContact O-N 3.44Å; Y936-L940 HydrophobicContact CD1-CD1 3.95Å; Y936-L940 HydrophobicContact CD1-CG 4.22Å; Y936-L940 HydrophobicContact CE1-CD1 3.24Å; Y936-L940 HydrophobicContact CE1-CD2 4.39Å; Y936-L940 HydrophobicContact CE1-CG 3.66Å; Y936-L940 PolarHBondContact O-N 3.38Å
937D59.2Low59.6Low95 Ų9565.9 Ų65.951%0.50833%0.334SS..Hα-helixtrans-64.6-36.1173.6-75.6-27.2000112.1D933 L940 Q941D933-D937 PolarHBondContact O-N 2.87Å; D937-L940 PolarHBondContact O-N 2.99Å; D937-Q941 VanDerWaalsContact O-CB 3.28Å; D937-Q941 WeakPolarHBondContact O-CB 3.5Å; D937-Q941 PolarHBondContact O-N 3.23Å
938K60Low58.2Low123 Ų12369.2 Ų69.254%0.53536%0.362SS..Hα-helixtrans-66.5-37.5171.1-73.4178.4-178.8178.30112.3N934 E935 Y936 Q941 Q942N934-K938 PolarHBondContact O-N 2.92Å; E935-K938 WeakPolarHBondContact O-CB 3.28Å; E935-K938 PolarHBondContact O-N 2.9Å; Y936-K938 VanDerWaalsContact C-N 3.33Å; Y936-K938 PolarHBondContact O-N 3.24Å; K938-Q941 PolarHBondContact O-N 3.47Å; K938-Q942 WeakPolarHBondContact O-CB 3.48Å; K938-Q942 WeakPolarHBondContact O-CG 3.32Å; K938-Q942 PolarHBondContact O-N 2.93Å
939L60.2Low57.1Low0 Ų073.9 Ų73.90%038%0.384CS..Hα-helixtrans-65.7-42.1174.2175.2142.3000111.1W855 V857 L863 V906 E935 Y936 Q941 Q942 L943W855-L939 HydrophobicContact CE3-CD1 3.94Å; W855-L939 HydrophobicContact CH2-CB 4.02Å; W855-L939 HydrophobicContact CH2-CD1 4.46Å; W855-L939 HydrophobicContact CZ3-CB 4.08Å; W855-L939 HydrophobicContact CZ3-CD1 3.77Å; W855-L939 HydrophobicContact CZ3-CG 4.33Å; V857-L939 HydrophobicContact CG2-CD1 3.93Å; V857-L939 HydrophobicContact CG2-CG 4.12Å; L863-L939 HydrophobicContact CB-CD1 4.48Å; L863-L939 HydrophobicContact CD1-CD1 3.72Å; L863-L939 HydrophobicContact CD2-CD1 4.3Å; L863-L939 HydrophobicContact CG-CD1 4.38Å; V906-L939 HydrophobicContact CG1-CD2 3.74Å; E935-L939 WeakPolarHBondContact O-CB 3.46Å; E935-L939 PolarHBondContact O-N 2.79Å; Y936-L939 HydrophobicContact CD2-CD2 4.37Å; Y936-L939 HydrophobicContact CE2-CD2 4.42Å; Y936-L939 CarbonylContact O-C 3.51Å; Y936-L939 WeakPolarHBondContact O-CB 2.9Å; Y936-L939 PolarHBondContact O-N 3.44Å; L939-Q941 VanDerWaalsContact C-N 3.34Å; L939-Q942 PolarHBondContact O-N 3.22Å; L939-L943 HydrophobicContact CD2-CD1 3.62Å; L939-L943 HydrophobicContact CG-CD1 4.24Å; L939-L943 WeakPolarHBondContact O-CB 3.27Å; L939-L943 WeakPolarHBondContact O-CG 3.09Å; L939-L943 PolarHBondContact O-N 3.22Å
940L58.3Low55.5Low63 Ų6373.5 Ų73.533%0.3338%0.383SS..Hα-helixtrans-65.9-35.7171.9-77.5-177.2000112.4Y936 D937 S944Y936-L940 HydrophobicContact CD1-CD1 3.95Å; Y936-L940 HydrophobicContact CD1-CG 4.22Å; Y936-L940 HydrophobicContact CE1-CD1 3.24Å; Y936-L940 HydrophobicContact CE1-CD2 4.39Å; Y936-L940 HydrophobicContact CE1-CG 3.66Å; Y936-L940 PolarHBondContact O-N 3.38Å; D937-L940 PolarHBondContact O-N 2.99Å; L940-S944 VanDerWaalsContact O-CB 3.23Å; L940-S944 WeakPolarHBondContact O-CB 3.39Å; L940-S944 PolarHBondContact O-N 3.03Å; L940-S944 PolarHBondContact O-OG 2.98Å
941Q59.8Low54.3Low102 Ų10269.3 Ų69.348%0.47737%0.37SS..Hα-helixtrans-65.4-49.4174.5-177.3176.7100110.6D937 K938 L939 L943 S944 E945D937-Q941 VanDerWaalsContact O-CB 3.28Å; D937-Q941 WeakPolarHBondContact O-CB 3.5Å; D937-Q941 PolarHBondContact O-N 3.23Å; K938-Q941 PolarHBondContact O-N 3.47Å; L939-Q941 VanDerWaalsContact C-N 3.34Å; Q941-L943 VanDerWaalsContact C-N 3.34Å; Q941-L943 PolarHBondContact O-N 3.27Å; Q941-S944 WeakPolarHBondContact CA-OG 3.4Å; Q941-S944 CarbonylContact O-C 3.58Å; Q941-S944 PolarHBondContact O-N 2.87Å; Q941-S944 VanDerWaalsContact O-N 3.09Å; Q941-S944 PolarHBondContact O-OG 2.55Å; Q941-E945 HydrophobicContact CG-CG 4.31Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.42Å; Q941-E945 PolarHBondContact NE2-OE1 2.76Å; Q941-E945 WeakPolarHBondContact O-CB 3.33Å; Q941-E945 WeakPolarHBondContact O-CG 3.48Å; Q941-E945 PolarHBondContact O-N 3.37Å
942Q56.5Low53.5Low90 Ų9069.7 Ų69.742%0.42138%0.375SS..Hα-helixtrans-60.3-41.4175.6-77.9-179.7-16.600112.3K938 L939 Q946K938-Q942 WeakPolarHBondContact O-CB 3.48Å; K938-Q942 WeakPolarHBondContact O-CG 3.32Å; K938-Q942 PolarHBondContact O-N 2.93Å; L939-Q942 PolarHBondContact O-N 3.22Å; Q942-Q946 WeakPolarHBondContact O-CB 3.37Å; Q942-Q946 WeakPolarHBondContact O-CG 3.04Å; Q942-Q946 PolarHBondContact O-N 3.31Å; Q942-Q946 VanDerWaalsContact O-N 3.07Å
943L53.3Low53.1Low24 Ų2470.4 Ų70.413%0.12638%0.384CS..Hα-helixtrans-60.3-52170.7-73.6166.6000109.5V857 C861 L939 Q941 E945 Q946 C947V857-L943 HydrophobicContact CG1-CD2 3.9Å; C861-L943 HydrophobicContact CB-CD2 3.67Å; L939-L943 HydrophobicContact CD2-CD1 3.62Å; L939-L943 HydrophobicContact CG-CD1 4.24Å; L939-L943 WeakPolarHBondContact O-CB 3.27Å; L939-L943 WeakPolarHBondContact O-CG 3.09Å; L939-L943 PolarHBondContact O-N 3.22Å; Q941-L943 VanDerWaalsContact C-N 3.34Å; Q941-L943 PolarHBondContact O-N 3.27Å; L943-E945 PolarHBondContact O-N 2.94Å; L943-Q946 PolarHBondContact O-N 3.39Å; L943-C947 VanDerWaalsContact O-CB 3.25Å; L943-C947 WeakPolarHBondContact O-CB 3.05Å; L943-C947 PolarHBondContact O-N 2.96Å; L943-C947 PolarHBondContact O-SG 3.28Å
944S49.4Very low53.4Low63 Ų6365.7 Ų65.744%0.44136%0.359SS..Hα-helixtrans-61.8-37-178.1750000114.5L940 Q941 C947 A948L940-S944 VanDerWaalsContact O-CB 3.23Å; L940-S944 WeakPolarHBondContact O-CB 3.39Å; L940-S944 PolarHBondContact O-N 3.03Å; L940-S944 PolarHBondContact O-OG 2.98Å; Q941-S944 WeakPolarHBondContact CA-OG 3.4Å; Q941-S944 CarbonylContact O-C 3.58Å; Q941-S944 PolarHBondContact O-N 2.87Å; Q941-S944 VanDerWaalsContact O-N 3.09Å; Q941-S944 PolarHBondContact O-OG 2.55Å; S944-C947 WeakPolarHBondContact O-CA 3.33Å; S944-C947 WeakPolarHBondContact O-CB 3.32Å; S944-C947 PolarHBondContact O-N 3.4Å; S944-A948 WeakPolarHBondContact O-CB 3.44Å; S944-A948 PolarHBondContact O-N 2.85Å
945E50.8Low54.3Low116 Ų11667.4 Ų67.454%0.54236%0.358SS..Hα-helixtrans-71.9-38.7178.5-74.3172.4-176.100111.4Q941 L943 C947Q941-E945 HydrophobicContact CG-CG 4.31Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.42Å; Q941-E945 PolarHBondContact NE2-OE1 2.76Å; Q941-E945 WeakPolarHBondContact O-CB 3.33Å; Q941-E945 WeakPolarHBondContact O-CG 3.48Å; Q941-E945 PolarHBondContact O-N 3.37Å; L943-E945 PolarHBondContact O-N 2.94Å; E945-C947 PolarHBondContact O-N 3.31Å
946Q48.8Very low55.7Low99 Ų9966.3 Ų66.346%0.46335%0.354SS..Hα-helixtrans-66.1-24.9167.4-71.1-174.80.900111.6Q942 L943 Y971Q942-Q946 WeakPolarHBondContact O-CB 3.37Å; Q942-Q946 WeakPolarHBondContact O-CG 3.04Å; Q942-Q946 PolarHBondContact O-N 3.31Å; Q942-Q946 VanDerWaalsContact O-N 3.07Å; L943-Q946 PolarHBondContact O-N 3.39Å; Q946-Y971 WeakPolarHBondContact O-CE2 3.49Å; Q946-Y971 PolarHBondContact O-OH 3.43Å
947C44.8Very low57Low15 Ų1569.8 Ų69.810%0.10137%0.371CS..Hα-helixtrans-89.1-31.8-172.2-67.70000116.7L943 S944 E945 L949 S950 Y971L943-C947 VanDerWaalsContact O-CB 3.25Å; L943-C947 WeakPolarHBondContact O-CB 3.05Å; L943-C947 PolarHBondContact O-N 2.96Å; L943-C947 PolarHBondContact O-SG 3.28Å; S944-C947 WeakPolarHBondContact O-CA 3.33Å; S944-C947 WeakPolarHBondContact O-CB 3.32Å; S944-C947 PolarHBondContact O-N 3.4Å; E945-C947 PolarHBondContact O-N 3.31Å; C947-L949 PolarHBondContact O-N 3.37Å; C947-S950 PolarHBondContact O-OG 3.35Å; C947-Y971 HydrophobicContact CB-CD1 4.05Å; C947-Y971 HydrophobicContact CB-CD2 3.49Å; C947-Y971 VanDerWaalsContact CB-CD2 3.49Å; C947-Y971 HydrophobicContact CB-CE1 4.49Å; C947-Y971 HydrophobicContact CB-CE2 4.05Å; C947-Y971 HydrophobicContact CB-CG 3.48Å; C947-Y971 VanDerWaalsContact CB-CG 3.48Å; C947-Y971 VanDerWaalsContact O-CD2 3.22Å; C947-Y971 WeakPolarHBondContact O-CD2 3.27Å; C947-Y971 WeakPolarHBondContact O-CE2 3.3Å; C947-Y971 WeakPolarHBondContact SG-CB 3.35Å; C947-Y971 WeakPolarHBondContact SG-CD1 3.29Å
948A40.3Very low58.3Low75 Ų7566.2 Ų66.262%0.6235%0.353SS*.THydrogen-bonded Turntrans-67.9-3.5-164.400000116.4S944S944-A948 WeakPolarHBondContact O-CB 3.44Å; S944-A948 PolarHBondContact O-N 2.85Å
949L44.1Very low59.4Low159 Ų15961.6 Ų61.683%0.83234%0.335SS*.THydrogen-bonded Turntrans-108.714.8-173.7-82.8163.4000116.2C947C947-L949 PolarHBondContact O-N 3.37Å
950S45.3Very low60.4Low14 Ų1463.3 Ų63.310%0.09835%0.349CS..  trans-134.333.6-158.675.40000119.4C947 G952 R970 Y971C947-S950 PolarHBondContact O-OG 3.35Å; S950-G952 PolarHBondContact O-N 3.36Å; S950-R970 PolarHBondContact O-N 3.4Å; S950-R970 WeakPolarHBondContact OG-CB 3.11Å; S950-Y971 WeakPolarHBondContact OG-CD2 2.98Å; S950-Y971 WeakPolarHBondContact OG-CE2 3.49Å
951A49.8Very low61.4Low36 Ų3665.9 Ų65.930%0.29836%0.359SS..BIsolated β-bridgetrans-68.5112.5156.800000108.2S967 S968A951-S967 WeakPolarHBondContact CB-OG 3.37Å; A951-S968 WeakPolarHBondContact CA-O 3.42Å
952G52.7Low62.6Low13 Ų1361 Ų6113%0.13434%0.337CS..PPolyproline II helixtrans-62.9167.2175.200000112S950 S967 S968S950-G952 PolarHBondContact O-N 3.36Å; G952-S967 PolarHBondContact O-OG 3.37Å; G952-S968 PolarHBondContact N-O 3.49Å
953P57.6Low63.9Low100 Ų10056.7 Ų56.765%0.64932%0.317SS*.PPolyproline II helixtrans-55.7145.2174.225.3-34.1000110.5R955P953-R955 PolarHBondContact O-N 2.87Å
954L63.1Low65.5Low22 Ų2258.3 Ų58.312%0.11532%0.322CS..PPolyproline II helixtrans-56.1131.8174.4-76.4-176.2000109.8I965 Y966 W980 Y1032L954-I965 HydrophobicContact CB-CG2 4.39Å; L954-I965 HydrophobicContact CD1-CG2 3.68Å; L954-I965 HydrophobicContact CD2-CG2 4.11Å; L954-I965 HydrophobicContact CG-CG2 4.29Å; L954-Y966 WeakPolarHBondContact CA-O 3.4Å; L954-Y966 VanDerWaalsContact CD2-C 3.49Å; L954-Y966 WeakPolarHBondContact CD2-O 3.49Å; L954-W980 HydrophobicContact CD1-CZ3 4.12Å; L954-W980 HydrophobicContact CD2-CH2 3.7Å; L954-W980 HydrophobicContact CD2-CZ3 4.08Å; L954-Y1032 HydrophobicContact CB-CD1 4.44Å; L954-Y1032 HydrophobicContact CB-CG 4.43Å; L954-Y1032 HydrophobicContact CD1-CD1 4.22Å; L954-Y1032 HydrophobicContact CD1-CD2 3.56Å; L954-Y1032 HydrophobicContact CD1-CE2 4.41Å; L954-Y1032 HydrophobicContact CD1-CG 3.43Å; L954-Y1032 VanDerWaalsContact CD1-CG 3.43Å; L954-Y1032 HydrophobicContact CD2-CD2 4.24Å; L954-Y1032 HydrophobicContact CD2-CE2 4.3Å; L954-Y1032 HydrophobicContact CD2-CG 4.44Å; L954-Y1032 HydrophobicContact CG-CD1 3.75Å; L954-Y1032 HydrophobicContact CG-CD2 3.69Å; L954-Y1032 HydrophobicContact CG-CE1 4.22Å; L954-Y1032 HydrophobicContact CG-CE2 4.14Å; L954-Y1032 HydrophobicContact CG-CG 3.45Å; L954-Y1032 VanDerWaalsContact CG-CG 3.45Å
955R73.8Confident67.2Low135 Ų13555.3 Ų55.351%0.50930%0.302SS..EExtended strand (participates in β ladder)trans-111144.6173.9-65.3179.8-177.6-169.9-0.3108.1P953 Y966P953-R955 PolarHBondContact O-N 2.87Å; R955-Y966 HydrophobicContact CB-CD1 4.2Å; R955-Y966 HydrophobicContact CB-CD2 4.48Å; R955-Y966 HydrophobicContact CB-CE1 3.58Å; R955-Y966 HydrophobicContact CB-CE2 3.92Å; R955-Y966 VanDerWaalsContact CB-CZ 3.44Å; R955-Y966 WeakPolarHBondContact CD-OH 3.3Å; R955-Y966 HydrophobicContact CG-CE2 4.45Å; R955-Y966 PolarHBondContact N-O 3.35Å; R955-Y966 WeakPolarHBondContact O-CD1 3.38Å; R955-Y966 PolarHBondContact O-N 3.24Å
956I82.5Confident68.5Low37 Ų3751 Ų5119%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-99.8128.7167.3-57.8172.4000107.4F963 K964 I965 L1034 F1039 A1042I956-F963 HydrophobicContact CG2-CB 3.98Å; I956-F963 HydrophobicContact CG2-CD1 4.23Å; I956-F963 HydrophobicContact CG2-CG 4.05Å; I956-K964 WeakPolarHBondContact CA-O 3.49Å; I956-I965 HydrophobicContact CG1-CG1 4.37Å; I956-L1034 HydrophobicContact CD1-CD1 4.01Å; I956-L1034 HydrophobicContact CD1-CD2 3.47Å; I956-L1034 VanDerWaalsContact CD1-CD2 3.47Å; I956-L1034 HydrophobicContact CD1-CG 4.32Å; I956-L1034 HydrophobicContact CG1-CD1 4.16Å; I956-L1034 HydrophobicContact CG1-CD2 3.68Å; I956-F1039 HydrophobicContact CD1-CD2 4.32Å; I956-A1042 HydrophobicContact CB-CB 4.02Å; I956-A1042 HydrophobicContact CD1-CB 4.04Å; I956-A1042 HydrophobicContact CG2-CB 3.53Å
957E85.9Confident69.6Low85 Ų8546.3 Ų46.340%0.39726%0.259SS..EExtended strand (participates in β ladder)trans-112.1116165.7173.6177.317900108K964 Y966E957-K964 HydrophobicContact CB-CB 4.3Å; E957-K964 PolarHBondContact N-O 2.78Å; E957-K964 PolarHBondContact O-N 3.28Å; E957-Y966 HydrophobicContact CB-CD1 4.2Å; E957-Y966 HydrophobicContact CB-CE1 3.7Å
958S86.3Confident70.4Confident20 Ų2047 Ų4714%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-78.9133.7176.6-61.20000109.8A1042 L1049S958-A1042 WeakPolarHBondContact OG-CA 3.43Å; S958-A1042 PolarHBondContact OG-O 2.6Å; S958-L1049 WeakPolarHBondContact O-CD1 3.24Å
959T84.1Confident71.2Confident26 Ų2644.3 Ų44.316%0.1624%0.239CC..  trans-118.7171.9172.373.80000109.3E961 G962 K964 E1005 H1046T959-E961 PolarHBondContact O-N 3.42Å; T959-E961 PolarHBondContact OG1-N 3.29Å; T959-G962 PolarHBondContact N-O 2.9Å; T959-G962 PolarHBondContact OG1-N 3.11Å; T959-G962 PolarHBondContact OG1-O 2.93Å; T959-K964 HydrophobicContact CG2-CD 4.3Å; T959-K964 HydrophobicContact CG2-CG 4.38Å; T959-E1005 PolarHBondContact OG1-OE1 2.94Å; T959-H1046 PolarHBondContact O-ND1 3.45Å
960A80.9Confident71.4Confident35 Ų3545.6 Ų45.629%0.28923%0.233SC..SBendtrans-66.5-22.7172.500000113.1H1046 A1053A960-H1046 PolarHBondContact O-CE1 3.46Å; A960-A1053 HydrophobicContact CB-CB 3.48Å; A960-A1053 VanDerWaalsContact CB-CB 3.48Å
961E80Confident71.6Confident117 Ų11747.9 Ų47.955%0.54724%0.24SC..SBendtrans-94.1-25.8-178.1-63-167.8176.500113.3T959 K994 L1007 N1008T959-E961 PolarHBondContact O-N 3.42Å; T959-E961 PolarHBondContact OG1-N 3.29Å; E961-K994 IonicContact OE2-NZ 3.01Å; E961-L1007 HydrophobicContact CB-CD2 4.36Å; E961-N1008 PolarHBondContact O-N 2.73Å
962G84.5Confident71.3Confident0 Ų054 Ų540%026%0.256CS..EExtended strand (participates in β ladder)trans174.5-151.3-17800000115.2T959 I1006 H1046T959-G962 PolarHBondContact N-O 2.9Å; T959-G962 PolarHBondContact OG1-N 3.11Å; T959-G962 PolarHBondContact OG1-O 2.93Å; G962-I1006 CarbonylContact C-O 3.54Å; G962-I1006 WeakPolarHBondContact CA-O 3.05Å; G962-H1046 PolarHBondContact N-CE1 3.12Å
963F84.9Confident71.1Confident0 Ų056.5 Ų56.50%027%0.266CS..EExtended strand (participates in β ladder)trans-111.5131.4173.6-62.1-25.5000110.8I956 E1005 I1006 P1009 F1039 A1042 L1043 H1046I956-F963 HydrophobicContact CG2-CB 3.98Å; I956-F963 HydrophobicContact CG2-CD1 4.23Å; I956-F963 HydrophobicContact CG2-CG 4.05Å; F963-E1005 CarbonylContact O-C 3.54Å; F963-E1005 WeakPolarHBondContact O-CA 3.25Å; F963-I1006 PolarHBondContact N-O 2.77Å; F963-I1006 PolarHBondContact O-N 3.32Å; F963-P1009 HydrophobicContact CB-CG 4.47Å; F963-P1009 HydrophobicContact CD1-CB 4.38Å; F963-P1009 HydrophobicContact CD1-CG 3.59Å; F963-P1009 HydrophobicContact CD2-CB 3.26Å; F963-P1009 HydrophobicContact CD2-CG 3.43Å; F963-P1009 VanDerWaalsContact CD2-CG 3.43Å; F963-P1009 HydrophobicContact CE1-CB 4.28Å; F963-P1009 HydrophobicContact CE1-CG 3.45Å; F963-P1009 VanDerWaalsContact CE1-CG 3.45Å; F963-P1009 HydrophobicContact CE2-CB 3.16Å; F963-P1009 HydrophobicContact CE2-CG 3.32Å; F963-P1009 HydrophobicContact CG-CB 3.9Å; F963-P1009 HydrophobicContact CG-CG 3.55Å; F963-P1009 HydrophobicContact CZ-CB 3.68Å; F963-P1009 HydrophobicContact CZ-CG 3.29Å; F963-F1039 HydrophobicContact CD2-CE2 4.13Å; F963-F1039 HydrophobicContact CD2-CZ 4.44Å; F963-F1039 HydrophobicContact CE2-CD2 4.34Å; F963-F1039 HydrophobicContact CE2-CE1 4.3Å; F963-F1039 AromaticContact CE2-CE2 3.71Å; F963-F1039 HydrophobicContact CE2-CE2 3.71Å; F963-F1039 AromaticContact CE2-CZ 3.68Å; F963-F1039 HydrophobicContact CE2-CZ 3.68Å; F963-A1042 HydrophobicContact CE1-CB 4.17Å; F963-A1042 WeakPolarHBondContact CE1-O 3.31Å; F963-A1042 HydrophobicContact CZ-CB 4.37Å; F963-L1043 HydrophobicContact CE1-CD1 4.47Å; F963-L1043 HydrophobicContact CE2-CD1 4.43Å; F963-L1043 VanDerWaalsContact CZ-CA 3.46Å; F963-L1043 HydrophobicContact CZ-CB 3.83Å; F963-L1043 HydrophobicContact CZ-CD1 3.65Å; F963-L1043 HydrophobicContact CZ-CG 4.36Å; F963-H1046 HydrophobicContact CD1-CB 4.07Å; F963-H1046 HydrophobicContact CE1-CB 3.48Å; F963-H1046 VanDerWaalsContact CE1-CB 3.48Å
964K85.3Confident70.5Confident57 Ų5756.3 Ų56.325%0.24827%0.267CS..EExtended strand (participates in β ladder)trans-94.4109.1162.1-71-177.8-178.1175.80108.9I956 E957 T959 E1005I956-K964 WeakPolarHBondContact CA-O 3.49Å; E957-K964 HydrophobicContact CB-CB 4.3Å; E957-K964 PolarHBondContact N-O 2.78Å; E957-K964 PolarHBondContact O-N 3.28Å; T959-K964 HydrophobicContact CG2-CD 4.3Å; T959-K964 HydrophobicContact CG2-CG 4.38Å; K964-E1005 WeakPolarHBondContact CE-OE1 3.44Å; K964-E1005 VanDerWaalsContact CE-OE2 3.26Å; K964-E1005 WeakPolarHBondContact CE-OE2 3.32Å; K964-E1005 HydrophobicContact CG-CB 3.91Å; K964-E1005 HydrophobicContact CG-CG 3.76Å
965I85.1Confident70.2Confident0 Ų057.2 Ų57.20%027%0.27CS..EExtended strand (participates in β ladder)trans-88114.1168.7-58.5179000106.3L954 I956 W980 W1003 I1004 I1006 Y1017 L1034L954-I965 HydrophobicContact CB-CG2 4.39Å; L954-I965 HydrophobicContact CD1-CG2 3.68Å; L954-I965 HydrophobicContact CD2-CG2 4.11Å; L954-I965 HydrophobicContact CG-CG2 4.29Å; I956-I965 HydrophobicContact CG1-CG1 4.37Å; I965-W980 HydrophobicContact CG2-CH2 4.29Å; I965-W980 HydrophobicContact CG2-CZ3 4.08Å; I965-W1003 CarbonylContact O-C 3.59Å; I965-W1003 WeakPolarHBondContact O-CA 3.11Å; I965-W1003 WeakPolarHBondContact O-CB 3.42Å; I965-I1004 HydrophobicContact CB-CG2 4.07Å; I965-I1004 PolarHBondContact N-O 3.17Å; I965-I1004 PolarHBondContact O-N 2.9Å; I965-I1006 HydrophobicContact CD1-CD1 3.61Å; I965-I1006 HydrophobicContact CD1-CG1 4.44Å; I965-I1006 HydrophobicContact CG1-CD1 4.5Å; I965-Y1017 HydrophobicContact CD1-CD1 4.21Å; I965-Y1017 HydrophobicContact CD1-CD2 4.18Å; I965-Y1017 HydrophobicContact CD1-CE1 3.73Å; I965-Y1017 HydrophobicContact CD1-CE2 3.69Å; I965-Y1017 HydrophobicContact CD1-CG 4.41Å; I965-Y1017 VanDerWaalsContact CD1-CZ 3.42Å; I965-L1034 HydrophobicContact CD1-CD1 3.91Å; I965-L1034 HydrophobicContact CG1-CD1 4.33Å; I965-L1034 HydrophobicContact CG2-CD1 4.1Å
966Y79.4Confident69.2Low26 Ų2656.8 Ų56.810%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-134.1149.6-175.172.5-86.7000112.9L954 R955 E957 K1001 V1002 W1003L954-Y966 WeakPolarHBondContact CA-O 3.4Å; L954-Y966 VanDerWaalsContact CD2-C 3.49Å; L954-Y966 WeakPolarHBondContact CD2-O 3.49Å; R955-Y966 HydrophobicContact CB-CD1 4.2Å; R955-Y966 HydrophobicContact CB-CD2 4.48Å; R955-Y966 HydrophobicContact CB-CE1 3.58Å; R955-Y966 HydrophobicContact CB-CE2 3.92Å; R955-Y966 VanDerWaalsContact CB-CZ 3.44Å; R955-Y966 WeakPolarHBondContact CD-OH 3.3Å; R955-Y966 HydrophobicContact CG-CE2 4.45Å; R955-Y966 PolarHBondContact N-O 3.35Å; R955-Y966 WeakPolarHBondContact O-CD1 3.38Å; R955-Y966 PolarHBondContact O-N 3.24Å; E957-Y966 HydrophobicContact CB-CD1 4.2Å; E957-Y966 HydrophobicContact CB-CE1 3.7Å; Y966-K1001 HydrophobicContact CD2-CD 3.82Å; Y966-K1001 HydrophobicContact CD2-CG 4.25Å; Y966-K1001 HydrophobicContact CE2-CD 4.08Å; Y966-K1001 HydrophobicContact CG-CD 4.47Å; Y966-V1002 WeakPolarHBondContact CA-O 3.49Å; Y966-W1003 VanDerWaalsContact CB-CB 3.43Å
967S71.3Confident68.6Low0 Ų061.5 Ų61.50%030%0.296CS..EExtended strand (participates in β ladder)trans-105.5127166.4-175.60000108.7A951 G952 K1001 V1002A951-S967 WeakPolarHBondContact CB-OG 3.37Å; G952-S967 PolarHBondContact O-OG 3.37Å; S967-K1001 WeakPolarHBondContact O-CA 3.48Å; S967-V1002 PolarHBondContact N-O 2.92Å; S967-V1002 PolarHBondContact O-N 3.11Å; S967-V1002 VanDerWaalsContact O-N 3.17Å
968S61.6Low68.3Low31 Ų3159 Ų5922%0.21729%0.287CS..EExtended strand (participates in β ladder)trans-75128.6167.2-71.80000109.4A951 G952A951-S968 WeakPolarHBondContact CA-O 3.42Å; G952-S968 PolarHBondContact N-O 3.49Å
969L57.5Low68.2Low18 Ų1858.5 Ų58.59%0.09428%0.283CS..BIsolated β-bridgetrans-93.6127.5169.3-55.6173.2000107.1Y971 F975 Q1000 V1002 M1021L969-Y971 PolarHBondContact O-N 2.79Å; L969-F975 HydrophobicContact CD1-CD2 4.44Å; L969-F975 HydrophobicContact CD1-CE2 3.79Å; L969-F975 HydrophobicContact CD2-CE2 4.02Å; L969-F975 HydrophobicContact CD2-CZ 4.46Å; L969-Q1000 PolarHBondContact N-O 2.83Å; L969-V1002 HydrophobicContact CD1-CG2 4.01Å; L969-M1021 HydrophobicContact CD2-SD 4.47Å
970R48.4Very low68.5Low186 Ų18657.2 Ų57.270%0.70228%0.275SS*.SBendtrans-76.7-6.9174.7-59.7-174.1-166.1165.3-3.5113.2S950S950-R970 PolarHBondContact O-N 3.4Å; S950-R970 WeakPolarHBondContact OG-CB 3.11Å
971Y48.2Very low68.8Low61 Ų6158.3 Ų58.324%0.23927%0.272CS..SBendtrans-142.4157.2-171.8-53.8-79.1000113.6Q946 C947 S950 L969 I973Q946-Y971 WeakPolarHBondContact O-CE2 3.49Å; Q946-Y971 PolarHBondContact O-OH 3.43Å; C947-Y971 HydrophobicContact CB-CD1 4.05Å; C947-Y971 HydrophobicContact CB-CD2 3.49Å; C947-Y971 VanDerWaalsContact CB-CD2 3.49Å; C947-Y971 HydrophobicContact CB-CE1 4.49Å; C947-Y971 HydrophobicContact CB-CE2 4.05Å; C947-Y971 HydrophobicContact CB-CG 3.48Å; C947-Y971 VanDerWaalsContact CB-CG 3.48Å; C947-Y971 VanDerWaalsContact O-CD2 3.22Å; C947-Y971 WeakPolarHBondContact O-CD2 3.27Å; C947-Y971 WeakPolarHBondContact O-CE2 3.3Å; C947-Y971 WeakPolarHBondContact SG-CB 3.35Å; C947-Y971 WeakPolarHBondContact SG-CD1 3.29Å; S950-Y971 WeakPolarHBondContact OG-CD2 2.98Å; S950-Y971 WeakPolarHBondContact OG-CE2 3.49Å; L969-Y971 PolarHBondContact O-N 2.79Å; Y971-I973 PolarHBondContact O-N 2.65Å
972Y44.5Very low69.2Low166 Ų16653.9 Ų53.965%0.65125%0.252SS*.  trans-76.998179-163-82.7000110.3M999Y972-M999 HydrophobicContact CD2-CB 3.87Å; Y972-M999 HydrophobicContact CD2-CG 4.15Å; Y972-M999 HydrophobicContact CD2-SD 4.43Å; Y972-M999 HydrophobicContact CE2-CB 3.63Å; Y972-M999 HydrophobicContact CE2-CE 4.12Å; Y972-M999 HydrophobicContact CE2-CG 3.38Å; Y972-M999 HydrophobicContact CE2-SD 3.49Å; Y972-M999 WeakPolarHBondContact CE2-SD 3.39Å
973I48.6Very low69.1Low65 Ų6559.8 Ų59.833%0.33328%0.277SS..  trans-123118.1174.5-55.7174.4000108.3Y971 F975Y971-I973 PolarHBondContact O-N 2.65Å; I973-F975 HydrophobicContact CB-CD2 4.4Å; I973-F975 HydrophobicContact CB-CE1 4.3Å; I973-F975 HydrophobicContact CB-CE2 3.87Å; I973-F975 HydrophobicContact CB-CZ 3.81Å; I973-F975 HydrophobicContact CD1-CZ 4.01Å; I973-F975 HydrophobicContact CG2-CD1 3.85Å; I973-F975 HydrophobicContact CG2-CD2 4.22Å; I973-F975 HydrophobicContact CG2-CE1 3.56Å; I973-F975 HydrophobicContact CG2-CE2 3.95Å; I973-F975 HydrophobicContact CG2-CG 4.18Å; I973-F975 HydrophobicContact CG2-CZ 3.62Å; I973-F975 PolarHBondContact O-N 2.89Å; I973-F975 VanDerWaalsContact O-N 3.15Å
974S45.6Very low68.8Low96 Ų9663.1 Ų63.167%0.67131%0.311SS*.  trans-78.691167.157.40000108.9
975F55.4Low68.8Low40 Ų4068.3 Ų68.318%0.17533%0.329CS..  trans-68.3132.8167.8-59.1-74.7000109.2L969 I973 K977 T978 M1021 F1022 D1023L969-F975 HydrophobicContact CD1-CD2 4.44Å; L969-F975 HydrophobicContact CD1-CE2 3.79Å; L969-F975 HydrophobicContact CD2-CE2 4.02Å; L969-F975 HydrophobicContact CD2-CZ 4.46Å; I973-F975 HydrophobicContact CB-CD2 4.4Å; I973-F975 HydrophobicContact CB-CE1 4.3Å; I973-F975 HydrophobicContact CB-CE2 3.87Å; I973-F975 HydrophobicContact CB-CZ 3.81Å; I973-F975 HydrophobicContact CD1-CZ 4.01Å; I973-F975 HydrophobicContact CG2-CD1 3.85Å; I973-F975 HydrophobicContact CG2-CD2 4.22Å; I973-F975 HydrophobicContact CG2-CE1 3.56Å; I973-F975 HydrophobicContact CG2-CE2 3.95Å; I973-F975 HydrophobicContact CG2-CG 4.18Å; I973-F975 HydrophobicContact CG2-CZ 3.62Å; I973-F975 PolarHBondContact O-N 2.89Å; I973-F975 VanDerWaalsContact O-N 3.15Å; F975-K977 PolarHBondContact O-N 2.92Å; F975-T978 HydrophobicContact CB-CG2 4.17Å; F975-M1021 HydrophobicContact CD1-CB 3.88Å; F975-M1021 HydrophobicContact CE1-CB 3.99Å; F975-M1021 HydrophobicContact CE1-SD 4.44Å; F975-M1021 HydrophobicContact CE2-SD 4.12Å; F975-M1021 HydrophobicContact CG-CB 4.29Å; F975-M1021 HydrophobicContact CZ-CB 4.48Å; F975-M1021 HydrophobicContact CZ-SD 4.01Å; F975-F1022 CarbonylContact C-O 3.52Å; F975-D1023 HydrophobicContact CD1-CB 4.09Å; F975-D1023 HydrophobicContact CE1-CB 4.49Å
976L53.7Low68.9Low126 Ų12671.1 Ų71.166%0.6634%0.344SS*.SBendtrans-66.9-30.4176.1-66.6-172.5000111.7F1022L976-F1022 HydrophobicContact CB-CD1 4.08Å; L976-F1022 HydrophobicContact CB-CE1 4.44Å; L976-F1022 HydrophobicContact CD1-CE1 4.15Å; L976-F1022 PolarHBondContact N-O 2.86Å
977K68.6Low69.4Low136 Ų13670.1 Ų70.159%0.59134%0.34SS*.EExtended strand (participates in β ladder)trans-156.2141178.3-171176.3177.2-176.10112F975 F1022F975-K977 PolarHBondContact O-N 2.92Å; K977-F1022 HydrophobicContact CB-CB 4.3Å; K977-F1022 PolarHBondContact N-O 3.19Å; K977-F1022 PolarHBondContact O-N 3.33Å
978T80.1Confident70Confident33 Ų3371.6 Ų71.620%0.20235%0.348CS..EExtended strand (participates in β ladder)trans-122.2140.8169.858.50000109.8F975 V1002 E1020 M1021F975-T978 HydrophobicContact CB-CG2 4.17Å; T978-V1002 HydrophobicContact CG2-CG1 3.89Å; T978-V1002 HydrophobicContact CG2-CG2 4.11Å; T978-E1020 CarbonylContact C-O 3.44Å; T978-E1020 VanDerWaalsContact CA-O 3.3Å; T978-E1020 WeakPolarHBondContact CA-O 3.41Å; T978-M1021 HydrophobicContact CG2-CG 4.26Å
979S85.6Confident70.9Confident9 Ų978.9 Ų78.96%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-138.2133177.3-80.60000112.9D988 E1020S979-D988 WeakPolarHBondContact CA-OD2 3.47Å; S979-D988 WeakPolarHBondContact CB-OD2 3.37Å; S979-D988 PolarHBondContact OG-OD2 3.01Å; S979-E1020 PolarHBondContact N-O 3.3Å; S979-E1020 PolarHBondContact O-N 3Å
980W89.1Confident72.3Confident0 Ų081.5 Ų81.50%039%0.391CS..EExtended strand (participates in β ladder)trans-103.8140.8-179.6-69.486.4000111.7L954 I965 N986 I987 D988 V1002 W1003 I1004 I1018 L1019L954-W980 HydrophobicContact CD1-CZ3 4.12Å; L954-W980 HydrophobicContact CD2-CH2 3.7Å; L954-W980 HydrophobicContact CD2-CZ3 4.08Å; I965-W980 HydrophobicContact CG2-CH2 4.29Å; I965-W980 HydrophobicContact CG2-CZ3 4.08Å; W980-N986 WeakPolarHBondContact O-CA 3.45Å; W980-I987 HydrophobicContact CB-CD1 4.16Å; W980-I987 HydrophobicContact CB-CG1 3.79Å; W980-I987 WeakPolarHBondContact O-CG1 3.19Å; W980-I987 PolarHBondContact O-N 3.23Å; W980-D988 WeakPolarHBondContact CB-OD1 3.36Å; W980-D988 PolarHBondContact N-OD1 2.67Å; W980-D988 PolarHBondContact N-OD2 2.8Å; W980-V1002 HydrophobicContact CZ2-CG1 4.15Å; W980-W1003 PolarHBondContact NE1-O 2.94Å; W980-I1004 HydrophobicContact CB-CB 4.45Å; W980-I1004 HydrophobicContact CB-CD1 3.61Å; W980-I1004 HydrophobicContact CB-CG2 4.49Å; W980-I1004 HydrophobicContact CD2-CB 3.78Å; W980-I1004 HydrophobicContact CD2-CG2 3.49Å; W980-I1004 VanDerWaalsContact CD2-CG2 3.49Å; W980-I1004 HydrophobicContact CE3-CB 4.34Å; W980-I1004 HydrophobicContact CE3-CG2 3.53Å; W980-I1004 HydrophobicContact CG-CB 3.82Å; W980-I1004 HydrophobicContact CG-CD1 3.83Å; W980-I1004 HydrophobicContact CG-CG1 4.48Å; W980-I1004 HydrophobicContact CG-CG2 3.95Å; W980-I1004 HydrophobicContact CH2-CG2 4.25Å; W980-I1004 HydrophobicContact CZ2-CB 4.48Å; W980-I1004 HydrophobicContact CZ2-CG2 4.24Å; W980-I1004 HydrophobicContact CZ3-CG2 3.92Å; W980-I1018 CarbonylContact C-O 3.56Å; W980-I1018 WeakPolarHBondContact CA-O 3.45Å; W980-L1019 HydrophobicContact CD2-CB 4.49Å; W980-L1019 HydrophobicContact CD2-CD1 4.03Å; W980-L1019 HydrophobicContact CE3-CB 4.27Å; W980-L1019 HydrophobicContact CG-CD1 4.35Å; W980-L1019 HydrophobicContact CH2-CB 4.39Å; W980-L1019 HydrophobicContact CH2-CD2 4.25Å; W980-L1019 HydrophobicContact CZ2-CD1 4Å; W980-L1019 HydrophobicContact CZ2-CD2 4.07Å; W980-L1019 HydrophobicContact CZ2-CG 4.43Å; W980-L1019 HydrophobicContact CZ3-CB 4.23Å
981Y87.6Confident73.9Confident57 Ų5779.6 Ų79.622%0.22440%0.4CS..EExtended strand (participates in β ladder)trans-131.2144.9176.6-57.9-108.4000111.1R985 N986 Y1017 I1018 E1020Y981-R985 CarbonylContact C-O 3.43Å; Y981-R985 WeakPolarHBondContact CA-O 3.48Å; Y981-R985 WeakPolarHBondContact CB-O 3.44Å; Y981-N986 HydrophobicContact CD1-CB 3.88Å; Y981-N986 HydrophobicContact CE1-CB 3.61Å; Y981-Y1017 CarbonylContact O-C 3.41Å; Y981-Y1017 WeakPolarHBondContact O-CA 3.18Å; Y981-I1018 PolarHBondContact N-O 3.35Å; Y981-I1018 PolarHBondContact O-N 2.97Å; Y981-E1020 HydrophobicContact CD2-CG 3.95Å; Y981-E1020 HydrophobicContact CE2-CB 4.22Å; Y981-E1020 HydrophobicContact CE2-CG 3.59Å
982F87.9Confident75.7Confident25 Ų2581.9 Ų81.911%0.1141%0.408CS..EExtended strand (participates in β ladder)trans-136.3129.7173.2176.8-110.7000109.2G984 R985 I987 D1013 E1016 Y1017F982-G984 PolarHBondContact O-N 2.88Å; F982-G984 VanDerWaalsContact O-N 3.17Å; F982-R985 PolarHBondContact N-O 3.09Å; F982-R985 PolarHBondContact O-N 2.93Å; F982-I987 HydrophobicContact CB-CD1 4Å; F982-I987 HydrophobicContact CB-CG2 3.85Å; F982-D1013 WeakPolarHBondContact CE2-O 3.4Å; F982-D1013 WeakPolarHBondContact CZ-O 3.27Å; F982-E1016 VanDerWaalsContact CD2-O 3.29Å; F982-E1016 WeakPolarHBondContact CD2-O 3.28Å; F982-Y1017 HydrophobicContact CB-CD1 4.1Å; F982-Y1017 HydrophobicContact CB-CE1 4Å; F982-Y1017 AromaticContact CD2-CD1 3.93Å; F982-Y1017 HydrophobicContact CD2-CD1 3.93Å; F982-Y1017 HydrophobicContact CD2-CD2 4.07Å; F982-Y1017 AromaticContact CD2-CE1 3.61Å; F982-Y1017 HydrophobicContact CD2-CE1 3.61Å; F982-Y1017 AromaticContact CD2-CE2 3.77Å; F982-Y1017 HydrophobicContact CD2-CE2 3.77Å; F982-Y1017 HydrophobicContact CD2-CG 4.16Å; F982-Y1017 AromaticContact CD2-CZ 3.54Å; F982-Y1017 HydrophobicContact CE2-CD2 4.41Å; F982-Y1017 HydrophobicContact CE2-CE1 4.31Å; F982-Y1017 AromaticContact CE2-CE2 3.82Å; F982-Y1017 HydrophobicContact CE2-CE2 3.82Å; F982-Y1017 AromaticContact CE2-CZ 3.77Å; F982-Y1017 HydrophobicContact CG-CD1 4.41Å; F982-Y1017 HydrophobicContact CG-CE1 4.01Å
983K83.2Confident77.8Confident124 Ų12474.6 Ų74.654%0.53938%0.381SS..THydrogen-bonded Turntrans49.440.8-175.7-63.3175.3177.3162.60112.9R985 N1012K983-R985 VanDerWaalsContact C-N 3.3Å; K983-R985 PolarHBondContact O-N 2.68Å; K983-N1012 PolarHBondContact NZ-O 2.86Å; K983-N1012 VanDerWaalsContact NZ-O 3.11Å
984G77.7Confident79.6Confident69 Ų6976.2 Ų76.271%0.71139%0.386SS*.THydrogen-bonded Turntrans76.23178.600000116.2F982F982-G984 PolarHBondContact O-N 2.88Å; F982-G984 VanDerWaalsContact O-N 3.17Å
985R84.9Confident81.5Confident167 Ų16774.4 Ų74.463%0.6337%0.372SS*.EExtended strand (participates in β ladder)trans-106.8138.6177.6-71.9-178.1-92.4173.6-8.1110.7Y981 F982 K983 I987Y981-R985 CarbonylContact C-O 3.43Å; Y981-R985 WeakPolarHBondContact CA-O 3.48Å; Y981-R985 WeakPolarHBondContact CB-O 3.44Å; F982-R985 PolarHBondContact N-O 3.09Å; F982-R985 PolarHBondContact O-N 2.93Å; K983-R985 VanDerWaalsContact C-N 3.3Å; K983-R985 PolarHBondContact O-N 2.68Å; R985-I987 PolarHBondContact O-N 3.39Å
986N88.5Confident82.6Confident58 Ų5873.3 Ų73.331%0.3137%0.372SS..EExtended strand (participates in β ladder)trans-69.2126.4171.9-178.2-66.2000108.7W980 Y981 D988W980-N986 WeakPolarHBondContact O-CA 3.45Å; Y981-N986 HydrophobicContact CD1-CB 3.88Å; Y981-N986 HydrophobicContact CE1-CB 3.61Å; N986-D988 PolarHBondContact ND2-OD2 2.79Å; N986-D988 VanDerWaalsContact OD1-CB 3.32Å; N986-D988 WeakPolarHBondContact OD1-CB 3.3Å; N986-D988 PolarHBondContact OD1-N 3.15Å; N986-D988 PolarHBondContact OD1-OD2 3.15Å
987I89.3Confident83.6Confident5 Ų571.2 Ų71.23%0.02637%0.368CS..  trans-109.17.6-176.759.5167.6000112.7W980 F982 R985 Q989 E990 T993 I1004 Y1017W980-I987 HydrophobicContact CB-CD1 4.16Å; W980-I987 HydrophobicContact CB-CG1 3.79Å; W980-I987 WeakPolarHBondContact O-CG1 3.19Å; W980-I987 PolarHBondContact O-N 3.23Å; F982-I987 HydrophobicContact CB-CD1 4Å; F982-I987 HydrophobicContact CB-CG2 3.85Å; R985-I987 PolarHBondContact O-N 3.39Å; I987-Q989 PolarHBondContact O-N 2.76Å; I987-E990 HydrophobicContact CB-CG 4.5Å; I987-E990 PolarHBondContact O-N 3.01Å; I987-T993 HydrophobicContact CB-CG2 4.41Å; I987-T993 WeakPolarHBondContact O-CB 3.33Å; I987-T993 PolarHBondContact O-OG1 2.83Å; I987-I1004 HydrophobicContact CB-CD1 4.49Å; I987-I1004 HydrophobicContact CD1-CD1 3.56Å; I987-I1004 HydrophobicContact CD1-CG1 4.44Å; I987-I1004 HydrophobicContact CG1-CD1 3.61Å; I987-Y1017 HydrophobicContact CD1-CD1 4.14Å; I987-Y1017 HydrophobicContact CD1-CE1 4Å
988D83.9Confident83.4Confident31 Ų3167.5 Ų67.517%0.16636%0.359CS..THydrogen-bonded Turntrans-64.5-24.9-178.9-62.5-34.2000112.5S979 W980 N986 P995S979-D988 WeakPolarHBondContact CA-OD2 3.47Å; S979-D988 WeakPolarHBondContact CB-OD2 3.37Å; S979-D988 PolarHBondContact OG-OD2 3.01Å; W980-D988 WeakPolarHBondContact CB-OD1 3.36Å; W980-D988 PolarHBondContact N-OD1 2.67Å; W980-D988 PolarHBondContact N-OD2 2.8Å; N986-D988 PolarHBondContact ND2-OD2 2.79Å; N986-D988 VanDerWaalsContact OD1-CB 3.32Å; N986-D988 WeakPolarHBondContact OD1-CB 3.3Å; N986-D988 PolarHBondContact OD1-N 3.15Å; N986-D988 PolarHBondContact OD1-OD2 3.15Å; D988-P995 HydrophobicContact CB-CG 4.28Å
989Q80.9Confident82.1Confident185 Ų18571.7 Ų71.786%0.86438%0.378SS*.THydrogen-bonded Turntrans-108.35.9-173-60.9-172.5-2.400114I987I987-Q989 PolarHBondContact O-N 2.76Å
990E86.5Confident81.1Confident72 Ų7277.9 Ų77.934%0.33641%0.406SS..  trans-73.4146.3177.3-62.8-169-179.700111.4I987 R992 T993I987-E990 HydrophobicContact CB-CG 4.5Å; I987-E990 PolarHBondContact O-N 3.01Å; E990-R992 PolarHBondContact O-N 3.41Å; E990-T993 HydrophobicContact CB-CG2 4.27Å; E990-T993 WeakPolarHBondContact CB-OG1 3.31Å; E990-T993 PolarHBondContact N-OG1 3.34Å; E990-T993 PolarHBondContact O-N 3.14Å; E990-T993 VanDerWaalsContact O-N 3.11Å; E990-T993 PolarHBondContact O-OG1 3.43Å
991T81.4Confident80.3Confident147 Ų14781.4 Ų81.490%0.90242%0.421SS*.THydrogen-bonded Turntrans-65.2-21.8-179.451.50000113.4
992R86.8Confident79.9Confident108 Ų10878.8 Ų78.841%0.40841%0.411SS..THydrogen-bonded Turntrans-89.6-4.2177.791.8175.677.4-169.7-2.4113.6E990 I1006 L1007 D1013E990-R992 PolarHBondContact O-N 3.41Å; R992-I1006 HydrophobicContact CG-CG2 4.41Å; R992-L1007 WeakPolarHBondContact O-CB 2.96Å; R992-L1007 WeakPolarHBondContact O-CG 3.29Å; R992-L1007 PolarHBondContact O-N 2.79Å; R992-D1013 IonicContact NH1-OD1 2.83Å
993T88.6Confident79.8Confident13 Ų1380.3 Ų80.38%0.0842%0.416CS..EExtended strand (participates in β ladder)trans-118.3140.5-17249.80000111.3I987 E990 I1004 E1005 I1006I987-T993 HydrophobicContact CB-CG2 4.41Å; I987-T993 WeakPolarHBondContact O-CB 3.33Å; I987-T993 PolarHBondContact O-OG1 2.83Å; E990-T993 HydrophobicContact CB-CG2 4.27Å; E990-T993 WeakPolarHBondContact CB-OG1 3.31Å; E990-T993 PolarHBondContact N-OG1 3.34Å; E990-T993 PolarHBondContact O-N 3.14Å; E990-T993 VanDerWaalsContact O-N 3.11Å; E990-T993 PolarHBondContact O-OG1 3.43Å; T993-I1004 HydrophobicContact CG2-CD1 4.25Å; T993-I1004 HydrophobicContact CG2-CG1 4.4Å; T993-E1005 CarbonylContact C-O 3.57Å; T993-E1005 WeakPolarHBondContact CA-O 3.45Å; T993-I1006 HydrophobicContact CG2-CG1 4.47Å
994K86.1Confident80.1Confident99 Ų9974.4 Ų74.443%0.4339%0.391SS..EExtended strand (participates in β ladder)trans-126.598.4173.4-61.3174.5177.4164.80109.1E961 E1005 L1007E961-K994 IonicContact OE2-NZ 3.01Å; K994-E1005 HydrophobicContact CB-CB 4.21Å; K994-E1005 PolarHBondContact N-O 2.8Å; K994-E1005 PolarHBondContact O-N 3Å; K994-L1007 HydrophobicContact CD-CD1 4.46Å; K994-L1007 HydrophobicContact CD-CD2 4.43Å
995P86.2Confident80.7Confident58 Ų5872.1 Ų72.138%0.37736%0.361SS..EExtended strand (participates in β ladder)trans-67.3142.3170.928.4-32.8000109.8D988D988-P995 HydrophobicContact CB-CG 4.28Å
996G78.2Confident80.9Confident18 Ų1864.4 Ų64.419%0.18633%0.332CS..EExtended strand (participates in β ladder)trans-150.3157.6178.500000111.8W1003G996-W1003 PolarHBondContact N-O 2.9Å; G996-W1003 PolarHBondContact O-N 2.95Å
997S74.6Confident80.9Confident81 Ų8163.1 Ų63.157%0.56633%0.325SS*.EExtended strand (participates in β ladder)trans-144.8152.9176.956.50000110.6K1001 W1003S997-K1001 CarbonylContact C-O 3.23Å; S997-K1001 WeakPolarHBondContact CA-O 3.31Å; S997-W1003 VanDerWaalsContact C-CH2 3.42Å; S997-W1003 WeakPolarHBondContact O-CH2 3.3Å
998S64.3Low80.6Confident59 Ų5967.5 Ų67.541%0.41335%0.349SS..  trans-137.4176.6169.275.60000108.6Q1000 K1001 W1003S998-Q1000 PolarHBondContact O-N 3.04Å; S998-Q1000 PolarHBondContact OG-N 2.88Å; S998-K1001 PolarHBondContact N-O 2.84Å; S998-K1001 PolarHBondContact O-N 2.63Å; S998-K1001 PolarHBondContact OG-N 3.41Å; S998-W1003 VanDerWaalsContact N-CZ3 3.34Å
999M53.9Low80.7Confident121 Ų12166.5 Ų66.560%0.59634%0.344SS*.SBendtrans-59.1-17.1179.4-63.7169.5175.200114.1Y972Y972-M999 HydrophobicContact CD2-CB 3.87Å; Y972-M999 HydrophobicContact CD2-CG 4.15Å; Y972-M999 HydrophobicContact CD2-SD 4.43Å; Y972-M999 HydrophobicContact CE2-CB 3.63Å; Y972-M999 HydrophobicContact CE2-CE 4.12Å; Y972-M999 HydrophobicContact CE2-CG 3.38Å; Y972-M999 HydrophobicContact CE2-SD 3.49Å; Y972-M999 WeakPolarHBondContact CE2-SD 3.39Å
1000Q63.4Low80.9Confident139 Ų13960.4 Ų60.465%0.6532%0.319SS*.SBendtrans-132.4-3.1-175.5-67.1-176-17.200114.3L969 S998L969-Q1000 PolarHBondContact N-O 2.83Å; S998-Q1000 PolarHBondContact O-N 3.04Å; S998-Q1000 PolarHBondContact OG-N 2.88Å
1001K73.2Confident80.6Confident73 Ų7362.2 Ų62.232%0.31733%0.328SS..EExtended strand (participates in β ladder)trans-144142.3-179.1-64.9-176.4179.9-177.10110.7Y966 S967 S997 S998 W1003Y966-K1001 HydrophobicContact CD2-CD 3.82Å; Y966-K1001 HydrophobicContact CD2-CG 4.25Å; Y966-K1001 HydrophobicContact CE2-CD 4.08Å; Y966-K1001 HydrophobicContact CG-CD 4.47Å; S967-K1001 WeakPolarHBondContact O-CA 3.48Å; S997-K1001 CarbonylContact C-O 3.23Å; S997-K1001 WeakPolarHBondContact CA-O 3.31Å; S998-K1001 PolarHBondContact N-O 2.84Å; S998-K1001 PolarHBondContact O-N 2.63Å; S998-K1001 PolarHBondContact OG-N 3.41Å; K1001-W1003 HydrophobicContact CB-CE3 3.91Å; K1001-W1003 HydrophobicContact CB-CZ3 4.12Å
1002V77.8Confident80.7Confident3 Ų361.2 Ų61.22%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-118.2132.6163.2179.20000107Y966 S967 L969 T978 W980 L1019Y966-V1002 WeakPolarHBondContact CA-O 3.49Å; S967-V1002 PolarHBondContact N-O 2.92Å; S967-V1002 PolarHBondContact O-N 3.11Å; S967-V1002 VanDerWaalsContact O-N 3.17Å; L969-V1002 HydrophobicContact CD1-CG2 4.01Å; T978-V1002 HydrophobicContact CG2-CG1 3.89Å; T978-V1002 HydrophobicContact CG2-CG2 4.11Å; W980-V1002 HydrophobicContact CZ2-CG1 4.15Å; V1002-L1019 HydrophobicContact CB-CD2 4.44Å; V1002-L1019 HydrophobicContact CG1-CD1 4.04Å; V1002-L1019 HydrophobicContact CG1-CD2 4.28Å
1003W86.4Confident80.6Confident57 Ų5756.8 Ų56.822%0.21630%0.301CS..EExtended strand (participates in β ladder)trans-141.2161.1-176.368.789.9000113.1I965 Y966 W980 G996 S997 S998 K1001I965-W1003 CarbonylContact O-C 3.59Å; I965-W1003 WeakPolarHBondContact O-CA 3.11Å; I965-W1003 WeakPolarHBondContact O-CB 3.42Å; Y966-W1003 VanDerWaalsContact CB-CB 3.43Å; W980-W1003 PolarHBondContact NE1-O 2.94Å; G996-W1003 PolarHBondContact N-O 2.9Å; G996-W1003 PolarHBondContact O-N 2.95Å; S997-W1003 VanDerWaalsContact C-CH2 3.42Å; S997-W1003 WeakPolarHBondContact O-CH2 3.3Å; S998-W1003 VanDerWaalsContact N-CZ3 3.34Å; K1001-W1003 HydrophobicContact CB-CE3 3.91Å; K1001-W1003 HydrophobicContact CB-CZ3 4.12Å
1004I88.7Confident80.2Confident0 Ų059.5 Ų59.50%031%0.312CS..EExtended strand (participates in β ladder)trans-125.8126.8161.2-172.1148.5000108.9I965 W980 I987 T993I965-I1004 HydrophobicContact CB-CG2 4.07Å; I965-I1004 PolarHBondContact N-O 3.17Å; I965-I1004 PolarHBondContact O-N 2.9Å; W980-I1004 HydrophobicContact CB-CB 4.45Å; W980-I1004 HydrophobicContact CB-CD1 3.61Å; W980-I1004 HydrophobicContact CB-CG2 4.49Å; W980-I1004 HydrophobicContact CD2-CB 3.78Å; W980-I1004 HydrophobicContact CD2-CG2 3.49Å; W980-I1004 VanDerWaalsContact CD2-CG2 3.49Å; W980-I1004 HydrophobicContact CE3-CB 4.34Å; W980-I1004 HydrophobicContact CE3-CG2 3.53Å; W980-I1004 HydrophobicContact CG-CB 3.82Å; W980-I1004 HydrophobicContact CG-CD1 3.83Å; W980-I1004 HydrophobicContact CG-CG1 4.48Å; W980-I1004 HydrophobicContact CG-CG2 3.95Å; W980-I1004 HydrophobicContact CH2-CG2 4.25Å; W980-I1004 HydrophobicContact CZ2-CB 4.48Å; W980-I1004 HydrophobicContact CZ2-CG2 4.24Å; W980-I1004 HydrophobicContact CZ3-CG2 3.92Å; I987-I1004 HydrophobicContact CB-CD1 4.49Å; I987-I1004 HydrophobicContact CD1-CD1 3.56Å; I987-I1004 HydrophobicContact CD1-CG1 4.44Å; I987-I1004 HydrophobicContact CG1-CD1 3.61Å; T993-I1004 HydrophobicContact CG2-CD1 4.25Å; T993-I1004 HydrophobicContact CG2-CG1 4.4Å
1005E90.4Very high79.6Confident21 Ų2155.8 Ų55.810%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-94123.1174.9-171.5165.3-152.500110T959 F963 K964 T993 K994 L1007T959-E1005 PolarHBondContact OG1-OE1 2.94Å; F963-E1005 CarbonylContact O-C 3.54Å; F963-E1005 WeakPolarHBondContact O-CA 3.25Å; K964-E1005 WeakPolarHBondContact CE-OE1 3.44Å; K964-E1005 VanDerWaalsContact CE-OE2 3.26Å; K964-E1005 WeakPolarHBondContact CE-OE2 3.32Å; K964-E1005 HydrophobicContact CG-CB 3.91Å; K964-E1005 HydrophobicContact CG-CG 3.76Å; T993-E1005 CarbonylContact C-O 3.57Å; T993-E1005 WeakPolarHBondContact CA-O 3.45Å; K994-E1005 HydrophobicContact CB-CB 4.21Å; K994-E1005 PolarHBondContact N-O 2.8Å; K994-E1005 PolarHBondContact O-N 3Å; E1005-L1007 HydrophobicContact CG-CD2 4.31Å
1006I90.3Very high79.4Confident4 Ų457.4 Ų57.42%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-102115.5175.9-55.3179.1000108.3G962 F963 I965 R992 T993 P1009 Y1017G962-I1006 CarbonylContact C-O 3.54Å; G962-I1006 WeakPolarHBondContact CA-O 3.05Å; F963-I1006 PolarHBondContact N-O 2.77Å; F963-I1006 PolarHBondContact O-N 3.32Å; I965-I1006 HydrophobicContact CD1-CD1 3.61Å; I965-I1006 HydrophobicContact CD1-CG1 4.44Å; I965-I1006 HydrophobicContact CG1-CD1 4.5Å; R992-I1006 HydrophobicContact CG-CG2 4.41Å; T993-I1006 HydrophobicContact CG2-CG1 4.47Å; I1006-P1009 HydrophobicContact CG2-CB 4.23Å; I1006-Y1017 HydrophobicContact CD1-CE1 3.85Å; I1006-Y1017 WeakPolarHBondContact CD1-OH 3.38Å
1007L87.9Confident79.8Confident31 Ų3156.6 Ų56.616%0.16230%0.296CS..EExtended strand (participates in β ladder)trans-81.7137.7-179.9-54.2173.9000110.7E961 R992 K994 E1005E961-L1007 HydrophobicContact CB-CD2 4.36Å; R992-L1007 WeakPolarHBondContact O-CB 2.96Å; R992-L1007 WeakPolarHBondContact O-CG 3.29Å; R992-L1007 PolarHBondContact O-N 2.79Å; K994-L1007 HydrophobicContact CD-CD1 4.46Å; K994-L1007 HydrophobicContact CD-CD2 4.43Å; E1005-L1007 HydrophobicContact CG-CD2 4.31Å
1008N83.3Confident80.2Confident98 Ų9855.1 Ų55.152%0.52428%0.281SS..SBendtrans46.759.3-178-60.1-63.7000113.7E961 K1050E961-N1008 PolarHBondContact O-N 2.73Å; N1008-K1050 PolarHBondContact OD1-NZ 2.76Å; N1008-K1050 VanDerWaalsContact OD1-NZ 3.11Å
1009P86.1Confident81.2Confident9 Ų952.3 Ų52.36%0.05826%0.262CS..  trans-67.5151.9-174.829.8-36.6000112.8F963 I1006 L1043F963-P1009 HydrophobicContact CB-CG 4.47Å; F963-P1009 HydrophobicContact CD1-CB 4.38Å; F963-P1009 HydrophobicContact CD1-CG 3.59Å; F963-P1009 HydrophobicContact CD2-CB 3.26Å; F963-P1009 HydrophobicContact CD2-CG 3.43Å; F963-P1009 VanDerWaalsContact CD2-CG 3.43Å; F963-P1009 HydrophobicContact CE1-CB 4.28Å; F963-P1009 HydrophobicContact CE1-CG 3.45Å; F963-P1009 VanDerWaalsContact CE1-CG 3.45Å; F963-P1009 HydrophobicContact CE2-CB 3.16Å; F963-P1009 HydrophobicContact CE2-CG 3.32Å; F963-P1009 HydrophobicContact CG-CB 3.9Å; F963-P1009 HydrophobicContact CG-CG 3.55Å; F963-P1009 HydrophobicContact CZ-CB 3.68Å; F963-P1009 HydrophobicContact CZ-CG 3.29Å; I1006-P1009 HydrophobicContact CG2-CB 4.23Å; P1009-L1043 HydrophobicContact CG-CD1 4.49Å
1010T84.3Confident82.7Confident57 Ų5748 Ų4835%0.3524%0.24SC..  trans-134166.1-17766.60000111.3N1012 D1013 F1039T1010-N1012 PolarHBondContact O-N 2.73Å; T1010-N1012 PolarHBondContact OG1-N 2.99Å; T1010-D1013 PolarHBondContact N-OD2 3.13Å; T1010-D1013 WeakPolarHBondContact O-CB 3.37Å; T1010-D1013 PolarHBondContact O-N 2.69Å; T1010-D1013 PolarHBondContact OG1-OD2 3.37Å; T1010-F1039 WeakPolarHBondContact O-CE1 3.37Å; T1010-F1039 WeakPolarHBondContact O-CZ 3.07Å
1011E81.1Confident83.3Confident110 Ų11042 Ų4251%0.51421%0.212SC..G310 helixtrans-52.7-23.4173.6-72.1-66.5153.300114.2D1013 K1014 L1043E1011-D1013 VanDerWaalsContact C-N 3.3Å; E1011-D1013 PolarHBondContact O-N 2.83Å; E1011-K1014 VanDerWaalsContact O-CB 3.23Å; E1011-K1014 WeakPolarHBondContact O-CB 3.5Å; E1011-K1014 PolarHBondContact O-N 2.87Å; E1011-L1043 HydrophobicContact CG-CD2 4.33Å; E1011-L1043 WeakPolarHBondContact OE1-CD2 3.16Å
1012N82.8Confident83.1Confident126 Ų12640.2 Ų40.267%0.67420%0.204SC*.G310 helixtrans-75.5-18.4178.9-70.4-35000114.1K983 T1010 K1014K983-N1012 PolarHBondContact NZ-O 2.86Å; K983-N1012 VanDerWaalsContact NZ-O 3.11Å; T1010-N1012 PolarHBondContact O-N 2.73Å; T1010-N1012 PolarHBondContact OG1-N 2.99Å; N1012-K1014 PolarHBondContact O-N 2.69Å
1013D84.3Confident82.2Confident15 Ų1542.6 Ų42.68%0.0822%0.217CC..G310 helixtrans-82.2-0.1176.7-52.9-63.8000111.1F982 R992 T1010 E1011 Y1017 F1039F982-D1013 WeakPolarHBondContact CE2-O 3.4Å; F982-D1013 WeakPolarHBondContact CZ-O 3.27Å; R992-D1013 IonicContact NH1-OD1 2.83Å; T1010-D1013 PolarHBondContact N-OD2 3.13Å; T1010-D1013 WeakPolarHBondContact O-CB 3.37Å; T1010-D1013 PolarHBondContact O-N 2.69Å; T1010-D1013 PolarHBondContact OG1-OD2 3.37Å; E1011-D1013 VanDerWaalsContact C-N 3.3Å; E1011-D1013 PolarHBondContact O-N 2.83Å; D1013-Y1017 PolarHBondContact O-OH 3.27Å; D1013-F1039 HydrophobicContact CB-CE2 4.31Å; D1013-F1039 HydrophobicContact CB-CZ 3.99Å
1014K80.2Confident80.4Confident70 Ų7041.5 Ų41.530%0.30422%0.223SC..  trans-68.4134.2169.5-177.5-176.1166.7-173.10111.5E1011 N1012 T1036 F1039E1011-K1014 VanDerWaalsContact O-CB 3.23Å; E1011-K1014 WeakPolarHBondContact O-CB 3.5Å; E1011-K1014 PolarHBondContact O-N 2.87Å; N1012-K1014 PolarHBondContact O-N 2.69Å; K1014-T1036 WeakPolarHBondContact CE-OG1 3.2Å; K1014-T1036 PolarHBondContact NZ-OG1 3.3Å; K1014-F1039 HydrophobicContact CB-CD1 4.12Å; K1014-F1039 HydrophobicContact CB-CE1 4.21Å; K1014-F1039 HydrophobicContact CB-CG 4.31Å; K1014-F1039 HydrophobicContact CB-CZ 4.45Å; K1014-F1039 HydrophobicContact CG-CG 4.49Å
1015G75.1Confident78.5Confident21 Ų2150.7 Ų50.722%0.21626%0.263CS..SBendtrans148.9-158.8172.300000113.6Y1017G1015-Y1017 WeakPolarHBondContact O-CD2 3.47Å
1016E81.2Confident76.6Confident92 Ų9255 Ų5543%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-84129.7-176.8-65.4177.4165.500112.1F982 L1031 Y1032 E1033F982-E1016 VanDerWaalsContact CD2-O 3.29Å; F982-E1016 WeakPolarHBondContact CD2-O 3.28Å; E1016-L1031 HydrophobicContact CB-CD1 4.04Å; E1016-L1031 HydrophobicContact CG-CD1 4.39Å; E1016-Y1032 WeakPolarHBondContact CA-O 3.35Å; E1016-E1033 HydrophobicContact CG-CB 4.36Å; E1016-E1033 HydrophobicContact CG-CG 4.13Å
1017Y85.6Confident75.4Confident1 Ų158.1 Ų58.10%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-109.9138.9172.5-69.7-93.6000109.6I965 Y981 F982 I987 I1006 D1013 G1015 Y1032 L1034I965-Y1017 HydrophobicContact CD1-CD1 4.21Å; I965-Y1017 HydrophobicContact CD1-CD2 4.18Å; I965-Y1017 HydrophobicContact CD1-CE1 3.73Å; I965-Y1017 HydrophobicContact CD1-CE2 3.69Å; I965-Y1017 HydrophobicContact CD1-CG 4.41Å; I965-Y1017 VanDerWaalsContact CD1-CZ 3.42Å; Y981-Y1017 CarbonylContact O-C 3.41Å; Y981-Y1017 WeakPolarHBondContact O-CA 3.18Å; F982-Y1017 HydrophobicContact CB-CD1 4.1Å; F982-Y1017 HydrophobicContact CB-CE1 4Å; F982-Y1017 AromaticContact CD2-CD1 3.93Å; F982-Y1017 HydrophobicContact CD2-CD1 3.93Å; F982-Y1017 HydrophobicContact CD2-CD2 4.07Å; F982-Y1017 AromaticContact CD2-CE1 3.61Å; F982-Y1017 HydrophobicContact CD2-CE1 3.61Å; F982-Y1017 AromaticContact CD2-CE2 3.77Å; F982-Y1017 HydrophobicContact CD2-CE2 3.77Å; F982-Y1017 HydrophobicContact CD2-CG 4.16Å; F982-Y1017 AromaticContact CD2-CZ 3.54Å; F982-Y1017 HydrophobicContact CE2-CD2 4.41Å; F982-Y1017 HydrophobicContact CE2-CE1 4.31Å; F982-Y1017 AromaticContact CE2-CE2 3.82Å; F982-Y1017 HydrophobicContact CE2-CE2 3.82Å; F982-Y1017 AromaticContact CE2-CZ 3.77Å; F982-Y1017 HydrophobicContact CG-CD1 4.41Å; F982-Y1017 HydrophobicContact CG-CE1 4.01Å; I987-Y1017 HydrophobicContact CD1-CD1 4.14Å; I987-Y1017 HydrophobicContact CD1-CE1 4Å; I1006-Y1017 HydrophobicContact CD1-CE1 3.85Å; I1006-Y1017 WeakPolarHBondContact CD1-OH 3.38Å; D1013-Y1017 PolarHBondContact O-OH 3.27Å; G1015-Y1017 WeakPolarHBondContact O-CD2 3.47Å; Y1017-Y1032 PolarHBondContact N-O 2.84Å; Y1017-Y1032 PolarHBondContact O-N 2.98Å; Y1017-L1034 HydrophobicContact CD2-CD1 3.84Å; Y1017-L1034 HydrophobicContact CE2-CD1 3.94Å
1018I84.8Confident74.3Confident51 Ų5159.2 Ų59.226%0.26231%0.307SS..EExtended strand (participates in β ladder)trans-117.2125.6174-57169.3000108W980 Y981 E1020 R1030 L1031W980-I1018 CarbonylContact C-O 3.56Å; W980-I1018 WeakPolarHBondContact CA-O 3.45Å; Y981-I1018 PolarHBondContact N-O 3.35Å; Y981-I1018 PolarHBondContact O-N 2.97Å; I1018-E1020 HydrophobicContact CG2-CG 4.28Å; I1018-R1030 VanDerWaalsContact CA-O 3.32Å; I1018-R1030 WeakPolarHBondContact CA-O 3.19Å; I1018-L1031 HydrophobicContact CD1-CD1 4.09Å; I1018-L1031 HydrophobicContact CG1-CD1 3.6Å
1019L84.4Confident73.6Confident0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-102.8121.9169.417359.2000108.5W980 V1002 M1021 R1030 Y1032W980-L1019 HydrophobicContact CD2-CB 4.49Å; W980-L1019 HydrophobicContact CD2-CD1 4.03Å; W980-L1019 HydrophobicContact CE3-CB 4.27Å; W980-L1019 HydrophobicContact CG-CD1 4.35Å; W980-L1019 HydrophobicContact CH2-CB 4.39Å; W980-L1019 HydrophobicContact CH2-CD2 4.25Å; W980-L1019 HydrophobicContact CZ2-CD1 4Å; W980-L1019 HydrophobicContact CZ2-CD2 4.07Å; W980-L1019 HydrophobicContact CZ2-CG 4.43Å; W980-L1019 HydrophobicContact CZ3-CB 4.23Å; V1002-L1019 HydrophobicContact CB-CD2 4.44Å; V1002-L1019 HydrophobicContact CG1-CD1 4.04Å; V1002-L1019 HydrophobicContact CG1-CD2 4.28Å; L1019-M1021 HydrophobicContact CD1-CG 4.06Å; L1019-M1021 HydrophobicContact CD2-CE 4.44Å; L1019-M1021 HydrophobicContact CD2-CG 3.99Å; L1019-M1021 HydrophobicContact CD2-SD 3.76Å; L1019-M1021 HydrophobicContact CG-CG 3.76Å; L1019-M1021 HydrophobicContact CG-SD 4.18Å; L1019-R1030 PolarHBondContact N-O 2.86Å; L1019-R1030 PolarHBondContact O-N 3.25Å; L1019-Y1032 HydrophobicContact CB-CD2 4.5Å; L1019-Y1032 HydrophobicContact CB-CE2 4.02Å
1020E85.2Confident72.8Confident31 Ų3165.8 Ų65.815%0.14533%0.327CS..EExtended strand (participates in β ladder)trans-101.2125.6169.1-58-164.5168.400109.3T978 S979 Y981 I1018 T1027 H1028 K1029T978-E1020 CarbonylContact C-O 3.44Å; T978-E1020 VanDerWaalsContact CA-O 3.3Å; T978-E1020 WeakPolarHBondContact CA-O 3.41Å; S979-E1020 PolarHBondContact N-O 3.3Å; S979-E1020 PolarHBondContact O-N 3Å; Y981-E1020 HydrophobicContact CD2-CG 3.95Å; Y981-E1020 HydrophobicContact CE2-CB 4.22Å; Y981-E1020 HydrophobicContact CE2-CG 3.59Å; I1018-E1020 HydrophobicContact CG2-CG 4.28Å; E1020-T1027 HydrophobicContact CB-CG2 3.99Å; E1020-H1028 CarbonylContact C-O 3.46Å; E1020-H1028 WeakPolarHBondContact CA-O 3.46Å; E1020-K1029 HydrophobicContact CG-CD 4.13Å; E1020-K1029 HydrophobicContact CG-CG 3.93Å; E1020-K1029 WeakPolarHBondContact OE1-CD 3.22Å; E1020-K1029 WeakPolarHBondContact OE1-CE 3.34Å; E1020-K1029 IonicContact OE1-NZ 3.72Å; E1020-K1029 PolarHBondContact OE1-NZ 3.11Å; E1020-K1029 IonicContact OE2-NZ 3.02Å
1021M76Confident72Confident11 Ų1168 Ų685%0.05434%0.336CS..EExtended strand (participates in β ladder)trans-121.4122.7178.5-59.9176.3-68.300108.7L969 F975 T978 L1019 T1027 H1028L969-M1021 HydrophobicContact CD2-SD 4.47Å; F975-M1021 HydrophobicContact CD1-CB 3.88Å; F975-M1021 HydrophobicContact CE1-CB 3.99Å; F975-M1021 HydrophobicContact CE1-SD 4.44Å; F975-M1021 HydrophobicContact CE2-SD 4.12Å; F975-M1021 HydrophobicContact CG-CB 4.29Å; F975-M1021 HydrophobicContact CZ-CB 4.48Å; F975-M1021 HydrophobicContact CZ-SD 4.01Å; T978-M1021 HydrophobicContact CG2-CG 4.26Å; L1019-M1021 HydrophobicContact CD1-CG 4.06Å; L1019-M1021 HydrophobicContact CD2-CE 4.44Å; L1019-M1021 HydrophobicContact CD2-CG 3.99Å; L1019-M1021 HydrophobicContact CD2-SD 3.76Å; L1019-M1021 HydrophobicContact CG-CG 3.76Å; L1019-M1021 HydrophobicContact CG-SD 4.18Å; M1021-T1027 CarbonylContact O-C 3.59Å; M1021-T1027 WeakPolarHBondContact O-CA 3.32Å; M1021-H1028 PolarHBondContact N-O 2.88Å; M1021-H1028 PolarHBondContact O-N 2.96Å
1022F69.2Low71.4Confident37 Ų3764.2 Ų64.216%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-110.2115.4178.8-178.5-111.8000109.2F975 L976 K977 G1024 E1026 T1027F975-F1022 CarbonylContact C-O 3.52Å; L976-F1022 HydrophobicContact CB-CD1 4.08Å; L976-F1022 HydrophobicContact CB-CE1 4.44Å; L976-F1022 HydrophobicContact CD1-CE1 4.15Å; L976-F1022 PolarHBondContact N-O 2.86Å; K977-F1022 HydrophobicContact CB-CB 4.3Å; K977-F1022 PolarHBondContact N-O 3.19Å; K977-F1022 PolarHBondContact O-N 3.33Å; F1022-G1024 VanDerWaalsContact CE1-CA 3.47Å; F1022-G1024 VanDerWaalsContact CZ-CA 3.41Å; F1022-G1024 WeakPolarHBondContact CZ-O 3.33Å; F1022-E1026 WeakPolarHBondContact CA-O 3.38Å; F1022-E1026 VanDerWaalsContact CD2-O 3.23Å; F1022-E1026 WeakPolarHBondContact CD2-O 3.41Å; F1022-T1027 WeakPolarHBondContact CD2-OG1 3.48Å
1023D58.9Low70.6Confident53 Ų5365.6 Ų65.628%0.28332%0.32SS..  trans-89.6-4.9-177.773.2-15.3000113.3F975 K1025 E1026F975-D1023 HydrophobicContact CD1-CB 4.09Å; F975-D1023 HydrophobicContact CE1-CB 4.49Å; D1023-K1025 WeakPolarHBondContact OD1-CA 3.4Å; D1023-K1025 PolarHBondContact OD1-N 2.84Å; D1023-E1026 PolarHBondContact N-O 2.8Å; D1023-E1026 PolarHBondContact OD1-N 2.7Å
1024G48.1Very low69.7Low34 Ų3465.6 Ų65.635%0.35132%0.319SS..SBendtrans109.1-17.4-174.600000114.7F1022F1022-G1024 VanDerWaalsContact CE1-CA 3.47Å; F1022-G1024 VanDerWaalsContact CZ-CA 3.41Å; F1022-G1024 WeakPolarHBondContact CZ-O 3.33Å
1025K49.8Very low69.1Low193 Ų19365.3 Ų65.384%0.83933%0.326SS*.SBendtrans-114.5-46.9177.9-65.8-178-179.9179.30111.4D1023D1023-K1025 WeakPolarHBondContact OD1-CA 3.4Å; D1023-K1025 PolarHBondContact OD1-N 2.84Å
1026E49.9Very low68.9Low111 Ų11168.2 Ų68.252%0.51934%0.34SS..  trans-138.1157.5-176.660.9178.5162.300112.7F1022 D1023 H1028F1022-E1026 WeakPolarHBondContact CA-O 3.38Å; F1022-E1026 VanDerWaalsContact CD2-O 3.23Å; F1022-E1026 WeakPolarHBondContact CD2-O 3.41Å; D1023-E1026 PolarHBondContact N-O 2.8Å; D1023-E1026 PolarHBondContact OD1-N 2.7Å; E1026-H1028 IonicContact OE1-CE1 3.51Å; E1026-H1028 PolarHBondContact OE1-CE1 3.41Å; E1026-H1028 IonicContact OE1-ND1 3.63Å; E1026-H1028 IonicContact OE1-NE2 2.74Å; E1026-H1028 IonicContact OE2-CE1 2.65Å
1027T65.4Low68.7Low69 Ų6971.1 Ų71.142%0.42335%0.353SS..EExtended strand (participates in β ladder)trans-103.2107.5175.1-57.60000109E1020 M1021 F1022 K1029E1020-T1027 HydrophobicContact CB-CG2 3.99Å; M1021-T1027 CarbonylContact O-C 3.59Å; M1021-T1027 WeakPolarHBondContact O-CA 3.32Å; F1022-T1027 WeakPolarHBondContact CD2-OG1 3.48Å; T1027-K1029 HydrophobicContact CG2-CG 4.41Å
1028H65.3Low68Low55 Ų5572.8 Ų72.826%0.25537%0.368SS..EExtended strand (participates in β ladder)trans-80.9124.6172-53.8-82.8000109.7E1020 M1021 E1026E1020-H1028 CarbonylContact C-O 3.46Å; E1020-H1028 WeakPolarHBondContact CA-O 3.46Å; M1021-H1028 PolarHBondContact N-O 2.88Å; M1021-H1028 PolarHBondContact O-N 2.96Å; E1026-H1028 IonicContact OE1-CE1 3.51Å; E1026-H1028 PolarHBondContact OE1-CE1 3.41Å; E1026-H1028 IonicContact OE1-ND1 3.63Å; E1026-H1028 IonicContact OE1-NE2 2.74Å; E1026-H1028 IonicContact OE2-CE1 2.65Å
1029K68.4Low67.9Low125 Ų12570.4 Ų70.454%0.54336%0.355SS..EExtended strand (participates in β ladder)trans-106.2135.3172.6-51.5-164.4-177.5-158.30109.9E1020 T1027E1020-K1029 HydrophobicContact CG-CD 4.13Å; E1020-K1029 HydrophobicContact CG-CG 3.93Å; E1020-K1029 WeakPolarHBondContact OE1-CD 3.22Å; E1020-K1029 WeakPolarHBondContact OE1-CE 3.34Å; E1020-K1029 IonicContact OE1-NZ 3.72Å; E1020-K1029 PolarHBondContact OE1-NZ 3.11Å; E1020-K1029 IonicContact OE2-NZ 3.02Å; T1027-K1029 HydrophobicContact CG2-CG 4.41Å
1030R69.4Low67.6Low120 Ų12072.6 Ų72.645%0.45337%0.373SS..EExtended strand (participates in β ladder)trans-128.8121.6172.8-71.8-70.2-174.3-110.83.8109.5I1018 L1019 Y1032I1018-R1030 VanDerWaalsContact CA-O 3.32Å; I1018-R1030 WeakPolarHBondContact CA-O 3.19Å; L1019-R1030 PolarHBondContact N-O 2.86Å; L1019-R1030 PolarHBondContact O-N 3.25Å; R1030-Y1032 HydrophobicContact CB-CD2 4.11Å; R1030-Y1032 HydrophobicContact CB-CE1 4.33Å; R1030-Y1032 HydrophobicContact CB-CE2 3.33Å; R1030-Y1032 VanDerWaalsContact CB-CZ 3.46Å; R1030-Y1032 WeakPolarHBondContact CB-OH 3.36Å; R1030-Y1032 HydrophobicContact CG-CE2 4.41Å; R1030-Y1032 WeakPolarHBondContact O-CD2 3.49Å
1031L66.1Low67.5Low103 Ų10376.5 Ų76.554%0.53939%0.391SS..EExtended strand (participates in β ladder)trans-83131.3169.9-178.170000108.2E1016 I1018E1016-L1031 HydrophobicContact CB-CD1 4.04Å; E1016-L1031 HydrophobicContact CG-CD1 4.39Å; I1018-L1031 HydrophobicContact CD1-CD1 4.09Å; I1018-L1031 HydrophobicContact CG1-CD1 3.6Å
1032Y69.4Low67.8Low30 Ų3076.4 Ų76.412%0.11839%0.392CS..EExtended strand (participates in β ladder)trans-130.5119.2175.5-60.7-77.9000109.5L954 E1016 Y1017 L1019 R1030L954-Y1032 HydrophobicContact CB-CD1 4.44Å; L954-Y1032 HydrophobicContact CB-CG 4.43Å; L954-Y1032 HydrophobicContact CD1-CD1 4.22Å; L954-Y1032 HydrophobicContact CD1-CD2 3.56Å; L954-Y1032 HydrophobicContact CD1-CE2 4.41Å; L954-Y1032 HydrophobicContact CD1-CG 3.43Å; L954-Y1032 VanDerWaalsContact CD1-CG 3.43Å; L954-Y1032 HydrophobicContact CD2-CD2 4.24Å; L954-Y1032 HydrophobicContact CD2-CE2 4.3Å; L954-Y1032 HydrophobicContact CD2-CG 4.44Å; L954-Y1032 HydrophobicContact CG-CD1 3.75Å; L954-Y1032 HydrophobicContact CG-CD2 3.69Å; L954-Y1032 HydrophobicContact CG-CE1 4.22Å; L954-Y1032 HydrophobicContact CG-CE2 4.14Å; L954-Y1032 HydrophobicContact CG-CG 3.45Å; L954-Y1032 VanDerWaalsContact CG-CG 3.45Å; E1016-Y1032 WeakPolarHBondContact CA-O 3.35Å; Y1017-Y1032 PolarHBondContact N-O 2.84Å; Y1017-Y1032 PolarHBondContact O-N 2.98Å; L1019-Y1032 HydrophobicContact CB-CD2 4.5Å; L1019-Y1032 HydrophobicContact CB-CE2 4.02Å; R1030-Y1032 HydrophobicContact CB-CD2 4.11Å; R1030-Y1032 HydrophobicContact CB-CE1 4.33Å; R1030-Y1032 HydrophobicContact CB-CE2 3.33Å; R1030-Y1032 VanDerWaalsContact CB-CZ 3.46Å; R1030-Y1032 WeakPolarHBondContact CB-OH 3.36Å; R1030-Y1032 HydrophobicContact CG-CE2 4.41Å; R1030-Y1032 WeakPolarHBondContact O-CD2 3.49Å
1033E66.1Low68.5Low156 Ų15675.6 Ų75.673%0.72939%0.389SS*.EExtended strand (participates in β ladder)trans-95.7111.9172.3-165.9177.2-17600108.6E1016 S1035E1016-E1033 HydrophobicContact CG-CB 4.36Å; E1016-E1033 HydrophobicContact CG-CG 4.13Å; E1033-S1035 PolarHBondContact O-N 3.04Å
1034L65.1Low69.7Low15 Ų1578.7 Ų78.78%0.07941%0.405CS..  trans-77.9118.3173.8-95.2158000109I956 I965 Y1017I956-L1034 HydrophobicContact CD1-CD1 4.01Å; I956-L1034 HydrophobicContact CD1-CD2 3.47Å; I956-L1034 VanDerWaalsContact CD1-CD2 3.47Å; I956-L1034 HydrophobicContact CD1-CG 4.32Å; I956-L1034 HydrophobicContact CG1-CD1 4.16Å; I956-L1034 HydrophobicContact CG1-CD2 3.68Å; I965-L1034 HydrophobicContact CD1-CD1 3.91Å; I965-L1034 HydrophobicContact CG1-CD1 4.33Å; I965-L1034 HydrophobicContact CG2-CD1 4.1Å; Y1017-L1034 HydrophobicContact CD2-CD1 3.84Å; Y1017-L1034 HydrophobicContact CE2-CD1 3.94Å
1035S67.6Low71.5Confident64 Ų6480.6 Ų80.645%0.44841%0.405SS..  trans-57.8143.1179.975.10000111.1E1033 E1037 A1038 F1039E1033-S1035 PolarHBondContact O-N 3.04Å; S1035-E1037 PolarHBondContact O-N 2.69Å; S1035-A1038 PolarHBondContact O-N 2.89Å; S1035-A1038 WeakPolarHBondContact OG-CB 3.45Å; S1035-A1038 PolarHBondContact OG-N 3.22Å; S1035-F1039 PolarHBondContact O-N 2.78Å; S1035-F1039 VanDerWaalsContact O-N 3.14Å
1036T70.4Confident73.2Confident81 Ų8171.7 Ų71.750%0.49737%0.367SS..Hα-helixtrans-50.6-41.1176.9-60.90000112.5K1014 A1040K1014-T1036 WeakPolarHBondContact CE-OG1 3.2Å; K1014-T1036 PolarHBondContact NZ-OG1 3.3Å; T1036-A1040 PolarHBondContact O-N 3.49Å; T1036-A1040 VanDerWaalsContact O-N 3.15Å
1037E77.1Confident74.8Confident153 Ų15371.4 Ų71.472%0.71537%0.365SS*.Hα-helixtrans-70.7-45.5-176.7-65.5172.4-174.400111.5S1035 F1039 A1040 E1041S1035-E1037 PolarHBondContact O-N 2.69Å; E1037-F1039 VanDerWaalsContact C-N 3.29Å; E1037-F1039 PolarHBondContact O-N 3.29Å; E1037-A1040 PolarHBondContact O-N 3.49Å; E1037-E1041 WeakPolarHBondContact O-CG 3.24Å; E1037-E1041 PolarHBondContact O-N 2.76Å
1038A72.5Confident75.9Confident37 Ų3775.6 Ų75.631%0.30637%0.373SS..Hα-helixtrans-62.3-36.1178.100000112.5S1035 A1042S1035-A1038 PolarHBondContact O-N 2.89Å; S1035-A1038 WeakPolarHBondContact OG-CB 3.45Å; S1035-A1038 PolarHBondContact OG-N 3.22Å; A1038-A1042 WeakPolarHBondContact O-CB 3.33Å; A1038-A1042 PolarHBondContact O-N 3.35Å
1039F81.2Confident76.8Confident1 Ų175.3 Ų75.30%0.00437%0.373CS..Hα-helixtrans-68.4-42.8176.1-169.4-87.8000111.9I956 F963 T1010 D1013 K1014 S1035 E1037 A1042 L1043I956-F1039 HydrophobicContact CD1-CD2 4.32Å; F963-F1039 HydrophobicContact CD2-CE2 4.13Å; F963-F1039 HydrophobicContact CD2-CZ 4.44Å; F963-F1039 HydrophobicContact CE2-CD2 4.34Å; F963-F1039 HydrophobicContact CE2-CE1 4.3Å; F963-F1039 AromaticContact CE2-CE2 3.71Å; F963-F1039 HydrophobicContact CE2-CE2 3.71Å; F963-F1039 AromaticContact CE2-CZ 3.68Å; F963-F1039 HydrophobicContact CE2-CZ 3.68Å; T1010-F1039 WeakPolarHBondContact O-CE1 3.37Å; T1010-F1039 WeakPolarHBondContact O-CZ 3.07Å; D1013-F1039 HydrophobicContact CB-CE2 4.31Å; D1013-F1039 HydrophobicContact CB-CZ 3.99Å; K1014-F1039 HydrophobicContact CB-CD1 4.12Å; K1014-F1039 HydrophobicContact CB-CE1 4.21Å; K1014-F1039 HydrophobicContact CB-CG 4.31Å; K1014-F1039 HydrophobicContact CB-CZ 4.45Å; K1014-F1039 HydrophobicContact CG-CG 4.49Å; S1035-F1039 PolarHBondContact O-N 2.78Å; S1035-F1039 VanDerWaalsContact O-N 3.14Å; E1037-F1039 VanDerWaalsContact C-N 3.29Å; E1037-F1039 PolarHBondContact O-N 3.29Å; F1039-A1042 PolarHBondContact O-N 3.38Å; F1039-L1043 WeakPolarHBondContact O-CB 3.38Å; F1039-L1043 PolarHBondContact O-N 2.8Å
1040A79.3Confident77.5Confident45 Ų4573 Ų7337%0.37236%0.364SS..Hα-helixtrans-65-41.9177.600000112.3T1036 E1037 L1043 L1044T1036-A1040 PolarHBondContact O-N 3.49Å; T1036-A1040 VanDerWaalsContact O-N 3.15Å; E1037-A1040 PolarHBondContact O-N 3.49Å; A1040-L1043 PolarHBondContact O-N 2.71Å; A1040-L1044 PolarHBondContact O-N 2.61Å; A1040-L1044 VanDerWaalsContact O-N 3.1Å
1041E82.5Confident78.1Confident113 Ų11373.5 Ų73.553%0.52837%0.371SS..Hα-helixtrans-62.2-44.6174.8-72.5-172.2160.900111.4K479 E1037 L1043 L1044 E1045K479-E1041 IonicContact NZ-OE1 3.85Å; K479-E1041 PolarHBondContact NZ-OE1 3.25Å; K479-E1041 IonicContact NZ-OE2 3.49Å; E1037-E1041 WeakPolarHBondContact O-CG 3.24Å; E1037-E1041 PolarHBondContact O-N 2.76Å; E1041-L1043 VanDerWaalsContact C-N 3.34Å; E1041-L1043 PolarHBondContact O-N 2.89Å; E1041-L1044 PolarHBondContact O-N 3.31Å; E1041-E1045 PolarHBondContact O-N 3.46Å
1042A81.4Confident78.9Confident9 Ų973 Ų737%0.07437%0.368CS..Hα-helixtrans-63.7-38.3177.400000112.6I956 S958 F963 A1038 F1039 E1045 H1046I956-A1042 HydrophobicContact CB-CB 4.02Å; I956-A1042 HydrophobicContact CD1-CB 4.04Å; I956-A1042 HydrophobicContact CG2-CB 3.53Å; S958-A1042 WeakPolarHBondContact OG-CA 3.43Å; S958-A1042 PolarHBondContact OG-O 2.6Å; F963-A1042 HydrophobicContact CE1-CB 4.17Å; F963-A1042 WeakPolarHBondContact CE1-O 3.31Å; F963-A1042 HydrophobicContact CZ-CB 4.37Å; A1038-A1042 WeakPolarHBondContact O-CB 3.33Å; A1038-A1042 PolarHBondContact O-N 3.35Å; F1039-A1042 PolarHBondContact O-N 3.38Å; A1042-E1045 PolarHBondContact O-N 3.44Å; A1042-H1046 WeakPolarHBondContact O-CB 3.41Å; A1042-H1046 PolarHBondContact O-N 3.5Å
1043L84.8Confident79.6Confident20 Ų2073.7 Ų73.711%0.10538%0.38CS..Hα-helixtrans-63.8-42.2176.9-171.165.2000112.2F963 P1009 E1011 F1039 A1040 E1041 E1045 H1046 Q1047F963-L1043 HydrophobicContact CE1-CD1 4.47Å; F963-L1043 HydrophobicContact CE2-CD1 4.43Å; F963-L1043 VanDerWaalsContact CZ-CA 3.46Å; F963-L1043 HydrophobicContact CZ-CB 3.83Å; F963-L1043 HydrophobicContact CZ-CD1 3.65Å; F963-L1043 HydrophobicContact CZ-CG 4.36Å; P1009-L1043 HydrophobicContact CG-CD1 4.49Å; E1011-L1043 HydrophobicContact CG-CD2 4.33Å; E1011-L1043 WeakPolarHBondContact OE1-CD2 3.16Å; F1039-L1043 WeakPolarHBondContact O-CB 3.38Å; F1039-L1043 PolarHBondContact O-N 2.8Å; A1040-L1043 PolarHBondContact O-N 2.71Å; E1041-L1043 VanDerWaalsContact C-N 3.34Å; E1041-L1043 PolarHBondContact O-N 2.89Å; L1043-E1045 VanDerWaalsContact C-N 3.35Å; L1043-H1046 PolarHBondContact O-N 3.46Å; L1043-Q1047 WeakPolarHBondContact O-CG 3.28Å; L1043-Q1047 PolarHBondContact O-N 2.93Å
1044L84.6Confident80.4Confident118 Ų11869.4 Ų69.462%0.61836%0.362SS*.Hα-helixtrans-63.1-43174.9-169.966.4000111.4A1040 E1041 Q1047 R1048A1040-L1044 PolarHBondContact O-N 2.61Å; A1040-L1044 VanDerWaalsContact O-N 3.1Å; E1041-L1044 PolarHBondContact O-N 3.31Å; L1044-Q1047 WeakPolarHBondContact O-CB 3.22Å; L1044-Q1047 PolarHBondContact O-N 2.86Å; L1044-R1048 PolarHBondContact O-N 3.05Å
1045E84.4Confident81.2Confident74 Ų7469.8 Ų69.835%0.34637%0.367SS..Hα-helixtrans-69-37.9179.2-172.658.8-163.900112.3E1041 A1042 L1043 Q1047 R1048 L1049E1041-E1045 PolarHBondContact O-N 3.46Å; A1042-E1045 PolarHBondContact O-N 3.44Å; L1043-E1045 VanDerWaalsContact C-N 3.35Å; E1045-Q1047 PolarHBondContact O-N 3.19Å; E1045-R1048 WeakPolarHBondContact O-CB 3.33Å; E1045-R1048 PolarHBondContact O-N 2.8Å; E1045-L1049 HydrophobicContact CG-CD1 4.06Å; E1045-L1049 HydrophobicContact CG-CG 4.33Å; E1045-L1049 WeakPolarHBondContact O-CB 3.32Å; E1045-L1049 WeakPolarHBondContact O-CG 3.45Å; E1045-L1049 PolarHBondContact O-N 3.11Å
1046H85.9Confident81.9Confident7 Ų771.9 Ų71.93%0.03237%0.37CS..Hα-helixtrans-60.5-44.9171.5167.568.1000111.5T959 A960 G962 F963 A1042 L1043 R1048 L1049 K1050T959-H1046 PolarHBondContact O-ND1 3.45Å; A960-H1046 PolarHBondContact O-CE1 3.46Å; G962-H1046 PolarHBondContact N-CE1 3.12Å; F963-H1046 HydrophobicContact CD1-CB 4.07Å; F963-H1046 HydrophobicContact CE1-CB 3.48Å; F963-H1046 VanDerWaalsContact CE1-CB 3.48Å; A1042-H1046 WeakPolarHBondContact O-CB 3.41Å; A1042-H1046 PolarHBondContact O-N 3.5Å; L1043-H1046 PolarHBondContact O-N 3.46Å; H1046-R1048 VanDerWaalsContact C-N 3.27Å; H1046-R1048 PolarHBondContact O-N 2.92Å; H1046-L1049 PolarHBondContact O-N 3.26Å; H1046-K1050 WeakPolarHBondContact O-CB 3.38Å; H1046-K1050 PolarHBondContact O-N 3.31Å
1047Q83.9Confident82.6Confident104 Ų10475.7 Ų75.749%0.48638%0.379SS..Hα-helixtrans-58.2-42.7175.8-73.4175.4-3.500111.1L1043 L1044 E1045 Q1051L1043-Q1047 WeakPolarHBondContact O-CG 3.28Å; L1043-Q1047 PolarHBondContact O-N 2.93Å; L1044-Q1047 WeakPolarHBondContact O-CB 3.22Å; L1044-Q1047 PolarHBondContact O-N 2.86Å; E1045-Q1047 PolarHBondContact O-N 3.19Å; Q1047-Q1051 VanDerWaalsContact O-CG 3.29Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.16Å; Q1047-Q1051 PolarHBondContact O-N 3Å; Q1047-Q1051 VanDerWaalsContact O-N 3.12Å
1048R88.7Confident83Confident157 Ų15769.7 Ų69.759%0.59235%0.352SS*.Hα-helixtrans-63.9-51.3176-175.3-173177.2172.9-0.8112.5L1044 E1045 H1046 K1050 Q1051 L1052L1044-R1048 PolarHBondContact O-N 3.05Å; E1045-R1048 WeakPolarHBondContact O-CB 3.33Å; E1045-R1048 PolarHBondContact O-N 2.8Å; H1046-R1048 VanDerWaalsContact C-N 3.27Å; H1046-R1048 PolarHBondContact O-N 2.92Å; R1048-K1050 VanDerWaalsContact C-N 3.29Å; R1048-K1050 PolarHBondContact O-N 3.09Å; R1048-Q1051 WeakPolarHBondContact O-CB 3.41Å; R1048-Q1051 PolarHBondContact O-N 3.4Å; R1048-Q1051 VanDerWaalsContact O-N 3.11Å; R1048-L1052 HydrophobicContact CG-CD1 4.28Å; R1048-L1052 PolarHBondContact O-N 3.5Å
1049L84.1Confident83.8Confident49 Ų4971.4 Ų71.426%0.25735%0.351SS..Hα-helixtrans-63.9-35.7-179.1-70.2173.1000112.1S958 E1045 H1046 Q1051 L1052 A1053S958-L1049 WeakPolarHBondContact O-CD1 3.24Å; E1045-L1049 HydrophobicContact CG-CD1 4.06Å; E1045-L1049 HydrophobicContact CG-CG 4.33Å; E1045-L1049 WeakPolarHBondContact O-CB 3.32Å; E1045-L1049 WeakPolarHBondContact O-CG 3.45Å; E1045-L1049 PolarHBondContact O-N 3.11Å; H1046-L1049 PolarHBondContact O-N 3.26Å; L1049-Q1051 VanDerWaalsContact C-N 3.35Å; L1049-L1052 HydrophobicContact CD2-CD1 4.36Å; L1049-L1052 PolarHBondContact O-N 2.63Å; L1049-A1053 WeakPolarHBondContact O-CB 3.2Å; L1049-A1053 PolarHBondContact O-N 3.08Å
1050K83.8Confident84.2Confident78 Ų7871.3 Ų71.334%0.33935%0.351SS..Hα-helixtrans-62.3-42.3172.4-172.9170.6-175.41680111.4N1008 H1046 R1048 A1053 I1054N1008-K1050 PolarHBondContact OD1-NZ 2.76Å; N1008-K1050 VanDerWaalsContact OD1-NZ 3.11Å; H1046-K1050 WeakPolarHBondContact O-CB 3.38Å; H1046-K1050 PolarHBondContact O-N 3.31Å; R1048-K1050 VanDerWaalsContact C-N 3.29Å; R1048-K1050 PolarHBondContact O-N 3.09Å; K1050-A1053 PolarHBondContact O-N 3.46Å; K1050-I1054 HydrophobicContact CG-CD1 4.28Å; K1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; K1050-I1054 WeakPolarHBondContact O-CG1 3.42Å; K1050-I1054 PolarHBondContact O-N 2.78Å
1051Q81.6Confident84.7Confident129 Ų12972.4 Ų72.460%0.60335%0.347SS*.Hα-helixtrans-65.4-41.2174.3-69.4-64.5-22.300112.3Q1047 R1048 L1049 I1054 A1055Q1047-Q1051 VanDerWaalsContact O-CG 3.29Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.16Å; Q1047-Q1051 PolarHBondContact O-N 3Å; Q1047-Q1051 VanDerWaalsContact O-N 3.12Å; R1048-Q1051 WeakPolarHBondContact O-CB 3.41Å; R1048-Q1051 PolarHBondContact O-N 3.4Å; R1048-Q1051 VanDerWaalsContact O-N 3.11Å; L1049-Q1051 VanDerWaalsContact C-N 3.35Å; Q1051-I1054 PolarHBondContact O-N 2.8Å; Q1051-A1055 WeakPolarHBondContact O-CB 3.44Å; Q1051-A1055 PolarHBondContact O-N 2.79Å
1052L83.6Confident85Confident92 Ų9267.9 Ų67.948%0.48233%0.327SS..Hα-helixtrans-64.9-40.8176.4-71.3171.1000112.4R1048 L1049 I1054 A1055 E1056R1048-L1052 HydrophobicContact CG-CD1 4.28Å; R1048-L1052 PolarHBondContact O-N 3.5Å; L1049-L1052 HydrophobicContact CD2-CD1 4.36Å; L1049-L1052 PolarHBondContact O-N 2.63Å; L1052-I1054 VanDerWaalsContact C-N 3.33Å; L1052-I1054 PolarHBondContact O-N 2.94Å; L1052-A1055 PolarHBondContact O-N 2.85Å; L1052-E1056 WeakPolarHBondContact O-CB 3.44Å; L1052-E1056 PolarHBondContact O-N 2.91Å
1053A82.6Confident84.9Confident45 Ų4571.9 Ų71.937%0.37235%0.35SS..Hα-helixtrans-66.5-36.217600000112.1A960 L1049 K1050 K1057A960-A1053 HydrophobicContact CB-CB 3.48Å; A960-A1053 VanDerWaalsContact CB-CB 3.48Å; L1049-A1053 WeakPolarHBondContact O-CB 3.2Å; L1049-A1053 PolarHBondContact O-N 3.08Å; K1050-A1053 PolarHBondContact O-N 3.46Å; A1053-K1057 VanDerWaalsContact O-CB 3.29Å; A1053-K1057 WeakPolarHBondContact O-CB 3.18Å; A1053-K1057 PolarHBondContact O-N 2.8Å
1054I82.7Confident84.6Confident66 Ų6677.5 Ų77.534%0.33837%0.374SS..Hα-helixtrans-63.2-47171.4-69.6164.2000109.8K1050 Q1051 L1052 K1057 N1058K1050-I1054 HydrophobicContact CG-CD1 4.28Å; K1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; K1050-I1054 WeakPolarHBondContact O-CG1 3.42Å; K1050-I1054 PolarHBondContact O-N 2.78Å; Q1051-I1054 PolarHBondContact O-N 2.8Å; L1052-I1054 VanDerWaalsContact C-N 3.33Å; L1052-I1054 PolarHBondContact O-N 2.94Å; I1054-K1057 PolarHBondContact O-N 2.72Å; I1054-N1058 WeakPolarHBondContact O-CB 3.12Å; I1054-N1058 PolarHBondContact O-N 2.91Å; I1054-N1058 VanDerWaalsContact O-N 3.09Å; I1054-N1058 PolarHBondContact O-ND2 2.93Å
1055A81.6Confident83.8Confident23 Ų2374 Ų7419%0.1937%0.366CS..Hα-helixtrans-60.7-45.8177.400000112.3Q1051 L1052 K1057 N1058 R1059 Y1139Q1051-A1055 WeakPolarHBondContact O-CB 3.44Å; Q1051-A1055 PolarHBondContact O-N 2.79Å; L1052-A1055 PolarHBondContact O-N 2.85Å; A1055-K1057 PolarHBondContact O-N 2.83Å; A1055-N1058 CarbonylContact O-C 3.51Å; A1055-N1058 PolarHBondContact O-N 3.05Å; A1055-N1058 VanDerWaalsContact O-N 3.12Å; A1055-R1059 PolarHBondContact O-N 2.79Å; A1055-Y1139 HydrophobicContact CB-CD1 3.84Å; A1055-Y1139 HydrophobicContact CB-CG 4.41Å
1056E83.1Confident83.7Confident109 Ų10971.4 Ų71.451%0.50935%0.354SS..Hα-helixtrans-66.8-36.9179.8-175.859.6-159.400112.5L1052 N1058 R1059L1052-E1056 WeakPolarHBondContact O-CB 3.44Å; L1052-E1056 PolarHBondContact O-N 2.91Å; E1056-N1058 PolarHBondContact O-N 2.87Å; E1056-R1059 VanDerWaalsContact CD-CD 3.41Å; E1056-R1059 VanDerWaalsContact CD-NH1 3.33Å; E1056-R1059 WeakPolarHBondContact O-CG 3.48Å; E1056-R1059 WeakPolarHBondContact OE1-CD 3.15Å; E1056-R1059 IonicContact OE1-CZ 2.7Å; E1056-R1059 IonicContact OE1-NE 3.41Å; E1056-R1059 IonicContact OE1-NH1 2.69Å; E1056-R1059 PolarHBondContact OE1-NH1 2.78Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.22Å; E1056-R1059 IonicContact OE2-CZ 3.37Å; E1056-R1059 IonicContact OE2-NE 2.87Å; E1056-R1059 IonicContact OE2-NH1 3.25Å; E1056-R1059 PolarHBondContact OE2-NH1 3.06Å
1057K84.6Confident83.5Confident160 Ų16073 Ų7370%0.69637%0.366SS*.Hα-helixtrans-63.1-35.7172.9-177.3179.2177.6-177.10111.8A1053 I1054 A1055A1053-K1057 VanDerWaalsContact O-CB 3.29Å; A1053-K1057 WeakPolarHBondContact O-CB 3.18Å; A1053-K1057 PolarHBondContact O-N 2.8Å; I1054-K1057 PolarHBondContact O-N 2.72Å; A1055-K1057 PolarHBondContact O-N 2.83Å
1058N86.4Confident83.4Confident28 Ų2874.5 Ų74.515%0.1538%0.377CS..Hα-helixtrans-99.1-8.4-169.1-75.6-5.9000114.1I1054 A1055 E1056 D1087 N1137 Y1139I1054-N1058 WeakPolarHBondContact O-CB 3.12Å; I1054-N1058 PolarHBondContact O-N 2.91Å; I1054-N1058 VanDerWaalsContact O-N 3.09Å; I1054-N1058 PolarHBondContact O-ND2 2.93Å; A1055-N1058 CarbonylContact O-C 3.51Å; A1055-N1058 PolarHBondContact O-N 3.05Å; A1055-N1058 VanDerWaalsContact O-N 3.12Å; E1056-N1058 PolarHBondContact O-N 2.87Å; N1058-D1087 VanDerWaalsContact CB-O 3.23Å; N1058-D1087 WeakPolarHBondContact CB-O 3.33Å; N1058-D1087 PolarHBondContact O-N 2.76Å; N1058-N1137 PolarHBondContact O-ND2 3.24Å; N1058-Y1139 HydrophobicContact CB-CD2 3.52Å; N1058-Y1139 HydrophobicContact CB-CE2 3.77Å; N1058-Y1139 HydrophobicContact CB-CG 4.18Å
1059R88.9Confident83.4Confident72 Ų7268.5 Ų68.527%0.27236%0.358SS..SBendtrans-59.2148.8-179.273.1-173.6-102.5-173.9-6.6112.6A1055 E1056 K1061 G1086A1055-R1059 PolarHBondContact O-N 2.79Å; E1056-R1059 VanDerWaalsContact CD-CD 3.41Å; E1056-R1059 VanDerWaalsContact CD-NH1 3.33Å; E1056-R1059 WeakPolarHBondContact O-CG 3.48Å; E1056-R1059 WeakPolarHBondContact OE1-CD 3.15Å; E1056-R1059 IonicContact OE1-CZ 2.7Å; E1056-R1059 IonicContact OE1-NE 3.41Å; E1056-R1059 IonicContact OE1-NH1 2.69Å; E1056-R1059 PolarHBondContact OE1-NH1 2.78Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.22Å; E1056-R1059 IonicContact OE2-CZ 3.37Å; E1056-R1059 IonicContact OE2-NE 2.87Å; E1056-R1059 IonicContact OE2-NH1 3.25Å; E1056-R1059 PolarHBondContact OE2-NH1 3.06Å; R1059-K1061 PolarHBondContact O-N 2.69Å; R1059-G1086 WeakPolarHBondContact O-CA 3.49Å
1060A90.1Very high83.6Confident0 Ų066.1 Ų66.10%035%0.345CS..  trans-64.1128.5168.900000110.4D1085 P1090 V1135 R1136 N1137A1060-D1085 WeakPolarHBondContact CA-O 3.26Å; A1060-P1090 HydrophobicContact CB-CB 3.66Å; A1060-P1090 HydrophobicContact CB-CG 3.65Å; A1060-V1135 HydrophobicContact CB-CB 4.41Å; A1060-V1135 HydrophobicContact CB-CG2 4.23Å; A1060-R1136 VanDerWaalsContact CB-C 3.49Å; A1060-N1137 HydrophobicContact CB-CB 4.14Å; A1060-N1137 PolarHBondContact N-ND2 2.82Å; A1060-N1137 PolarHBondContact N-OD1 2.73Å; A1060-N1137 VanDerWaalsContact N-OD1 3.08Å
1061K90Very high83.8Confident68 Ų6862.4 Ų62.430%0.29633%0.329SS..EExtended strand (participates in β ladder)trans-148156.2179.164.6-174.1177.2-1670113.6R1059 V1063 I1084 D1085 E1142R1059-K1061 PolarHBondContact O-N 2.69Å; K1061-V1063 HydrophobicContact CG-CG2 4.41Å; K1061-I1084 CarbonylContact O-C 3.43Å; K1061-I1084 VanDerWaalsContact O-CA 3.31Å; K1061-I1084 WeakPolarHBondContact O-CA 3.44Å; K1061-D1085 VanDerWaalsContact CE-OD2 3.31Å; K1061-D1085 WeakPolarHBondContact CE-OD2 3.45Å; K1061-D1085 HydrophobicContact CG-CB 4.13Å; K1061-D1085 PolarHBondContact N-O 2.79Å; K1061-D1085 IonicContact NZ-OD2 2.81Å; K1061-D1085 PolarHBondContact O-N 3.13Å; K1061-E1142 WeakPolarHBondContact CA-OE2 3.47Å; K1061-E1142 VanDerWaalsContact CB-OE2 3.25Å; K1061-E1142 WeakPolarHBondContact CB-OE2 3.4Å
1062V87.6Confident84.3Confident17 Ų1756.3 Ų56.310%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-99.1108.3173.1-175.20000108.9C1082 F1083 I1084 I1133 V1135 E1142 V1144V1062-C1082 HydrophobicContact CG1-CB 4.36Å; V1062-F1083 CarbonylContact C-O 3.48Å; V1062-F1083 WeakPolarHBondContact CA-O 3.15Å; V1062-I1084 HydrophobicContact CG2-CG2 4.43Å; V1062-I1133 HydrophobicContact CG2-CG2 4.4Å; V1062-V1135 HydrophobicContact CG2-CG1 4.39Å; V1062-V1135 HydrophobicContact CG2-CG2 3.84Å; V1062-E1142 PolarHBondContact N-OE2 2.79Å; V1062-V1144 HydrophobicContact CB-CG2 3.79Å; V1062-V1144 HydrophobicContact CG1-CG2 4.04Å; V1062-V1144 HydrophobicContact CG2-CG2 3.83Å
1063V80.9Confident84.5Confident94 Ų9454.5 Ų54.557%0.5729%0.29SS*.EExtended strand (participates in β ladder)trans-80.7-30.2-172.2-175.70000111.9K1061 F1083 D1085K1061-V1063 HydrophobicContact CG-CG2 4.41Å; V1063-F1083 PolarHBondContact N-O 2.94Å; V1063-D1085 HydrophobicContact CG2-CB 3.38Å
1064K77.9Confident84.9Confident138 Ų13855.9 Ų55.960%0.629%0.289SS*.EExtended strand (participates in β ladder)trans-133.2106175.2-170.5178.8-177.3-179.70108.3F1083K1064-F1083 HydrophobicContact CB-CB 4.03Å; K1064-F1083 HydrophobicContact CB-CD2 3.86Å; K1064-F1083 HydrophobicContact CB-CG 4.31Å; K1064-F1083 HydrophobicContact CD-CD2 3.91Å; K1064-F1083 HydrophobicContact CD-CE2 4.09Å; K1064-F1083 HydrophobicContact CG-CD2 4.36Å
1065G67.7Low85Confident45 Ų4555.1 Ų55.146%0.46430%0.297SS..PPolyproline II helixtrans-74.1171.1-175.900000114
1066L81.6Confident85.4Confident18 Ų1858 Ų589%0.09431%0.306CS..PPolyproline II helixtrans-82.4155.8172.7-63166.4000109.8L1080 C1082 W1094 I1133 V1146L1066-L1080 HydrophobicContact CD2-CB 3.9Å; L1066-L1080 HydrophobicContact CD2-CD2 4.34Å; L1066-C1082 WeakPolarHBondContact CD2-SG 3.44Å; L1066-C1082 WeakPolarHBondContact CG-SG 3.45Å; L1066-W1094 HydrophobicContact CD1-CH2 3.75Å; L1066-W1094 HydrophobicContact CD1-CZ3 3.75Å; L1066-W1094 HydrophobicContact CD2-CH2 4.41Å; L1066-I1133 HydrophobicContact CD1-CG2 4.36Å; L1066-V1146 HydrophobicContact CB-CB 3.84Å; L1066-V1146 HydrophobicContact CB-CG1 4.16Å; L1066-V1146 HydrophobicContact CB-CG2 4.47Å; L1066-V1146 HydrophobicContact CD1-CB 4.11Å; L1066-V1146 HydrophobicContact CD1-CG1 3.51Å; L1066-V1146 HydrophobicContact CG-CG1 4.36Å
1067P81.4Confident85.8Confident41 Ų4156 Ų5627%0.26630%0.304SS..PPolyproline II helixtrans-61.2149.9168.2-16.930.1000110.9V1069 V1070 V1146 V1162 M1164P1067-V1069 VanDerWaalsContact C-N 3.31Å; P1067-V1069 PolarHBondContact O-N 3.15Å; P1067-V1070 HydrophobicContact CB-CG2 4.01Å; P1067-V1070 HydrophobicContact CG-CG2 3.94Å; P1067-V1146 WeakPolarHBondContact O-CB 3.42Å; P1067-V1146 WeakPolarHBondContact O-CG2 3.46Å; P1067-V1162 HydrophobicContact CB-CB 4.33Å; P1067-V1162 HydrophobicContact CB-CG2 3.85Å; P1067-V1162 HydrophobicContact CG-CB 4.47Å; P1067-V1162 HydrophobicContact CG-CG2 4.27Å; P1067-M1164 HydrophobicContact CG-CE 4.33Å
1068D83.6Confident86Confident136 Ų13648.6 Ų48.673%0.72727%0.272SS*.SBendtrans-61.4-40-179.9-62.7-26.3000112.5T1147D1068-T1147 PolarHBondContact O-N 3.3Å
1069V86.9Confident86.2Confident30 Ų3050.2 Ų50.218%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-136.6128.2178.8-170.40000110P1067 T1147 A1161 V1162P1067-V1069 VanDerWaalsContact C-N 3.31Å; P1067-V1069 PolarHBondContact O-N 3.15Å; V1069-T1147 WeakPolarHBondContact CA-O 3.5Å; V1069-A1161 HydrophobicContact CB-CB 4.23Å; V1069-A1161 HydrophobicContact CG1-CB 3.72Å; V1069-A1161 WeakPolarHBondContact O-CA 3.26Å; V1069-V1162 PolarHBondContact O-N 2.86Å
1070V89.4Confident86.2Confident0 Ų046.9 Ų46.90%027%0.272CS..EExtended strand (participates in β ladder)trans-116.5133.4175.91690000109.2P1067 L1078 L1080 V1146 T1147 L1148 S1149 V1162 M1164P1067-V1070 HydrophobicContact CB-CG2 4.01Å; P1067-V1070 HydrophobicContact CG-CG2 3.94Å; V1070-L1078 HydrophobicContact CG1-CD1 3.8Å; V1070-L1078 HydrophobicContact CG1-CD2 4.36Å; V1070-L1080 HydrophobicContact CG2-CD2 4.22Å; V1070-V1146 HydrophobicContact CB-CG2 4.18Å; V1070-V1146 HydrophobicContact CG2-CG2 3.73Å; V1070-T1147 PolarHBondContact N-O 2.97Å; V1070-L1148 HydrophobicContact CG1-CD1 4.21Å; V1070-S1149 PolarHBondContact O-N 2.82Å; V1070-V1162 WeakPolarHBondContact CA-O 3.46Å; V1070-M1164 HydrophobicContact CG1-CB 4.04Å; V1070-M1164 HydrophobicContact CG1-CG 3.37Å; V1070-M1164 HydrophobicContact CG2-CE 4.18Å
1071A88.6Confident86.2Confident0 Ų049.4 Ų49.40%029%0.288CS..EExtended strand (participates in β ladder)trans-113.6137.4174.900000111.4S1149 Y1151 P1157 A1161 V1162 E1163 M1164A1071-S1149 VanDerWaalsContact CA-O 3.25Å; A1071-S1149 WeakPolarHBondContact CA-O 3.49Å; A1071-Y1151 HydrophobicContact CB-CD1 4.26Å; A1071-Y1151 HydrophobicContact CB-CE1 4.33Å; A1071-P1157 HydrophobicContact CB-CB 4.09Å; A1071-A1161 HydrophobicContact CB-CB 3.59Å; A1071-V1162 PolarHBondContact N-O 2.75Å; A1071-E1163 WeakPolarHBondContact O-CA 3.34Å; A1071-M1164 PolarHBondContact O-N 3.08Å
1072I90.9Very high86.1Confident1 Ų146.1 Ų46.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-142146.4175.4-168.1164.5000111.4K1076 S1077 L1078 V1123 L1148 S1149 V1150 Y1151 M1164I1072-K1076 HydrophobicContact CD1-CB 3.84Å; I1072-K1076 HydrophobicContact CG1-CB 3.95Å; I1072-S1077 WeakPolarHBondContact CD1-O 3.35Å; I1072-L1078 HydrophobicContact CD1-CB 3.73Å; I1072-L1078 HydrophobicContact CD1-CD1 4.24Å; I1072-V1123 HydrophobicContact CD1-CG2 4.45Å; I1072-V1123 HydrophobicContact CG2-CB 4.17Å; I1072-V1123 HydrophobicContact CG2-CG1 3.78Å; I1072-V1123 HydrophobicContact CG2-CG2 4.2Å; I1072-L1148 HydrophobicContact CG2-CD1 3.84Å; I1072-S1149 PolarHBondContact N-O 2.59Å; I1072-V1150 HydrophobicContact CG2-CG2 4.36Å; I1072-V1150 WeakPolarHBondContact O-CA 3.27Å; I1072-Y1151 VanDerWaalsContact C-CE1 3.41Å; I1072-Y1151 WeakPolarHBondContact O-CD1 3.48Å; I1072-Y1151 PolarHBondContact O-N 2.99Å; I1072-Y1151 VanDerWaalsContact O-N 3.08Å; I1072-M1164 WeakPolarHBondContact CG1-O 3.49Å
1073M87.9Confident86.1Confident53 Ų5348.5 Ų48.526%0.26128%0.283SS..EExtended strand (participates in β ladder)trans-72.2135.7175-169.8179.3-66.100111G1075 K1076 Y1151 K1153M1073-G1075 PolarHBondContact O-N 3.36Å; M1073-K1076 HydrophobicContact CB-CD 4.37Å; M1073-K1076 PolarHBondContact O-N 2.93Å; M1073-Y1151 WeakPolarHBondContact CA-O 3.44Å; M1073-Y1151 HydrophobicContact CB-CE1 4.41Å; M1073-Y1151 HydrophobicContact CB-CE2 4.03Å; M1073-Y1151 HydrophobicContact CE-CE2 3.87Å; M1073-Y1151 HydrophobicContact CG-CE2 4.2Å; M1073-K1153 HydrophobicContact SD-CB 4.25Å; M1073-K1153 HydrophobicContact SD-CG 4.36Å
1074E90.8Very high86.6Confident74 Ų7444.3 Ų44.335%0.34626%0.257SS..THydrogen-bonded Turntrans-51.1133175.1-174.5167.6-139.400112T1125 V1150 Y1151 K1152E1074-T1125 PolarHBondContact OE1-N 2.84Å; E1074-V1150 HydrophobicContact CB-CG1 4.05Å; E1074-Y1151 PolarHBondContact N-O 3.12Å; E1074-K1152 WeakPolarHBondContact OE2-CE 3.37Å; E1074-K1152 WeakPolarHBondContact OE2-CG 3.37Å
1075G85.8Confident87.1Confident50 Ų5040.1 Ų40.152%0.51524%0.241SC..THydrogen-bonded Turntrans92.7-12.4-179.800000115.8M1073 V1123M1073-G1075 PolarHBondContact O-N 3.36Å; G1075-V1123 PolarHBondContact N-O 2.87Å
1076K89.6Confident88.1Confident85 Ų8538.8 Ų38.837%0.3723%0.227SC..SBendtrans-82.5161.5170.7-69.3-169.9169.2-164.10111.7I1072 M1073 V1123 G1165I1072-K1076 HydrophobicContact CD1-CB 3.84Å; I1072-K1076 HydrophobicContact CG1-CB 3.95Å; M1073-K1076 HydrophobicContact CB-CD 4.37Å; M1073-K1076 PolarHBondContact O-N 2.93Å; K1076-V1123 WeakPolarHBondContact O-CB 3.43Å; K1076-V1123 VanDerWaalsContact O-CG2 3.31Å; K1076-V1123 WeakPolarHBondContact O-CG2 3.48Å; K1076-V1123 PolarHBondContact O-N 2.89Å; K1076-G1165 PolarHBondContact NZ-OXT 3.4Å
1077S90.5Very high88.3Confident67 Ų6742.8 Ų42.847%0.46925%0.249SC..  trans-95.9139.1171.8-63.40000110.7I1072 V1120 K1122I1072-S1077 WeakPolarHBondContact CD1-O 3.35Å; S1077-V1120 CarbonylContact C-O 3.5Å; S1077-V1120 VanDerWaalsContact CA-O 3.28Å; S1077-V1120 WeakPolarHBondContact CA-O 3.25Å; S1077-V1120 WeakPolarHBondContact CB-O 3.33Å; S1077-K1122 PolarHBondContact OG-N 2.98Å
1078L90.1Very high88.6Confident3 Ų343.7 Ų43.72%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-106.4133.2178174.767.6000109.8V1070 I1072 L1080 T1119 V1120 V1123 L1148 M1164V1070-L1078 HydrophobicContact CG1-CD1 3.8Å; V1070-L1078 HydrophobicContact CG1-CD2 4.36Å; I1072-L1078 HydrophobicContact CD1-CB 3.73Å; I1072-L1078 HydrophobicContact CD1-CD1 4.24Å; L1078-L1080 HydrophobicContact CD1-CD2 4.12Å; L1078-L1080 HydrophobicContact CD2-CD1 4.18Å; L1078-L1080 HydrophobicContact CD2-CD2 4.09Å; L1078-L1080 HydrophobicContact CD2-CG 3.98Å; L1078-L1080 HydrophobicContact CG-CD2 4.19Å; L1078-L1080 HydrophobicContact CG-CG 4.09Å; L1078-T1119 CarbonylContact O-C 3.51Å; L1078-T1119 WeakPolarHBondContact O-CA 3.42Å; L1078-V1120 HydrophobicContact CB-CB 4.37Å; L1078-V1120 PolarHBondContact N-O 3.47Å; L1078-V1120 PolarHBondContact O-N 2.79Å; L1078-V1123 HydrophobicContact CB-CG2 3.89Å; L1078-L1148 HydrophobicContact CD2-CD1 3.5Å; L1078-L1148 HydrophobicContact CD2-CD2 3.75Å; L1078-L1148 HydrophobicContact CD2-CG 4.21Å; L1078-M1164 HydrophobicContact CD1-CB 3.7Å; L1078-M1164 HydrophobicContact CD1-CG 3.84Å
1079C89.8Confident88.8Confident63 Ų6341 Ų4143%0.42625%0.251SS..EExtended strand (participates in β ladder)trans-118.3118.1169.1-177.40000110.3I1118C1079-I1118 WeakPolarHBondContact CA-O 3.38Å
1080L90.1Very high89Confident2 Ų240.3 Ų40.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-102.3125.3174.3-62174.1000108.3L1066 V1070 L1078 W1094 S1117 I1118 V1146L1066-L1080 HydrophobicContact CD2-CB 3.9Å; L1066-L1080 HydrophobicContact CD2-CD2 4.34Å; V1070-L1080 HydrophobicContact CG2-CD2 4.22Å; L1078-L1080 HydrophobicContact CD1-CD2 4.12Å; L1078-L1080 HydrophobicContact CD2-CD1 4.18Å; L1078-L1080 HydrophobicContact CD2-CD2 4.09Å; L1078-L1080 HydrophobicContact CD2-CG 3.98Å; L1078-L1080 HydrophobicContact CG-CD2 4.19Å; L1078-L1080 HydrophobicContact CG-CG 4.09Å; L1080-W1094 HydrophobicContact CB-CH2 4.01Å; L1080-W1094 HydrophobicContact CB-CZ3 4.41Å; L1080-S1117 CarbonylContact O-C 3.54Å; L1080-S1117 WeakPolarHBondContact O-CA 3.18Å; L1080-S1117 WeakPolarHBondContact O-CB 3.29Å; L1080-I1118 HydrophobicContact CB-CG2 3.83Å; L1080-I1118 HydrophobicContact CD1-CG2 4.21Å; L1080-I1118 HydrophobicContact CG-CG2 4.46Å; L1080-I1118 PolarHBondContact N-O 2.92Å; L1080-I1118 PolarHBondContact O-N 3.35Å; L1080-V1146 HydrophobicContact CD1-CG1 3.8Å
1081T88.5Confident89Confident52 Ų5245 Ų4532%0.31927%0.269SS..EExtended strand (participates in β ladder)trans-123.6131.5-177.2-61.50000110.9F1083 R1115 T1116 S1117T1081-F1083 HydrophobicContact CG2-CE2 4.33Å; T1081-R1115 HydrophobicContact CG2-CG 3.83Å; T1081-T1116 WeakPolarHBondContact CA-O 3.49Å; T1081-S1117 WeakPolarHBondContact CB-OG 3.42Å; T1081-S1117 VanDerWaalsContact CG2-OG 3.27Å; T1081-S1117 WeakPolarHBondContact CG2-OG 3.41Å; T1081-S1117 WeakPolarHBondContact OG1-CB 3.32Å; T1081-S1117 PolarHBondContact OG1-OG 3.45Å
1082C87.6Confident89.1Confident0 Ų045.6 Ų45.60%027%0.272CS..EExtended strand (participates in β ladder)trans-120.6152.2177-62.40000111.2V1062 L1066 R1115 T1116 I1133V1062-C1082 HydrophobicContact CG1-CB 4.36Å; L1066-C1082 WeakPolarHBondContact CD2-SG 3.44Å; L1066-C1082 WeakPolarHBondContact CG-SG 3.45Å; C1082-R1115 WeakPolarHBondContact O-CA 3.15Å; C1082-T1116 HydrophobicContact CB-CG2 4.16Å; C1082-T1116 PolarHBondContact N-O 2.78Å; C1082-T1116 PolarHBondContact O-N 2.85Å; C1082-I1133 HydrophobicContact CB-CD1 3.63Å
1083F89.4Confident89Confident67 Ų6747.7 Ų47.729%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-111.3133.4171.4-67-98.4000109.5V1062 V1063 K1064 T1081 K1114 R1115V1062-F1083 CarbonylContact C-O 3.48Å; V1062-F1083 WeakPolarHBondContact CA-O 3.15Å; V1063-F1083 PolarHBondContact N-O 2.94Å; K1064-F1083 HydrophobicContact CB-CB 4.03Å; K1064-F1083 HydrophobicContact CB-CD2 3.86Å; K1064-F1083 HydrophobicContact CB-CG 4.31Å; K1064-F1083 HydrophobicContact CD-CD2 3.91Å; K1064-F1083 HydrophobicContact CD-CE2 4.09Å; K1064-F1083 HydrophobicContact CG-CD2 4.36Å; T1081-F1083 HydrophobicContact CG2-CE2 4.33Å; F1083-K1114 WeakPolarHBondContact CA-O 3.13Å; F1083-R1115 HydrophobicContact CD1-CB 4.46Å; F1083-R1115 HydrophobicContact CE1-CG 4.44Å; F1083-R1115 VanDerWaalsContact CE1-NE 3.31Å
1084I91Very high89.2Confident5 Ų545.3 Ų45.33%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-126.1151.9-17258.4162.9000110.3K1061 V1062 I1092 K1114 I1133 V1135K1061-I1084 CarbonylContact O-C 3.43Å; K1061-I1084 VanDerWaalsContact O-CA 3.31Å; K1061-I1084 WeakPolarHBondContact O-CA 3.44Å; V1062-I1084 HydrophobicContact CG2-CG2 4.43Å; I1084-I1092 HydrophobicContact CD1-CD1 3.22Å; I1084-I1092 HydrophobicContact CD1-CG1 3.63Å; I1084-K1114 PolarHBondContact N-O 2.83Å; I1084-K1114 WeakPolarHBondContact O-CA 3.36Å; I1084-I1133 HydrophobicContact CG2-CD1 4.25Å; I1084-V1135 HydrophobicContact CG2-CG1 3.8Å
1085D88.4Confident89Confident50 Ų5043.2 Ų43.227%0.26726%0.261SS..EExtended strand (participates in β ladder)trans-146.4158.3178.7-162.745.5000109.6A1060 K1061 V1063 P1090 K1114A1060-D1085 WeakPolarHBondContact CA-O 3.26Å; K1061-D1085 VanDerWaalsContact CE-OD2 3.31Å; K1061-D1085 WeakPolarHBondContact CE-OD2 3.45Å; K1061-D1085 HydrophobicContact CG-CB 4.13Å; K1061-D1085 PolarHBondContact N-O 2.79Å; K1061-D1085 IonicContact NZ-OD2 2.81Å; K1061-D1085 PolarHBondContact O-N 3.13Å; V1063-D1085 HydrophobicContact CG2-CB 3.38Å; D1085-P1090 WeakPolarHBondContact O-CG 3.34Å; D1085-K1114 IonicContact OD1-NZ 3.73Å; D1085-K1114 PolarHBondContact OD1-NZ 3Å
1086G88.8Confident89.1Confident17 Ų1743.2 Ų43.218%0.17525%0.245CC..  trans145.9149.7-174.900000111.7R1059 P1088R1059-G1086 WeakPolarHBondContact O-CA 3.49Å; G1086-P1088 CarbonylContact C-O 3.53Å
1087D85.5Confident88.5Confident103 Ų10343.6 Ų43.655%0.55125%0.251SS*.SBendtrans-140.9113-178.3-173.315.1000110.4N1058 Y1139N1058-D1087 VanDerWaalsContact CB-O 3.23Å; N1058-D1087 WeakPolarHBondContact CB-O 3.33Å; N1058-D1087 PolarHBondContact O-N 2.76Å; D1087-Y1139 WeakPolarHBondContact O-CD2 3.11Å; D1087-Y1139 VanDerWaalsContact O-CE2 3.29Å; D1087-Y1139 WeakPolarHBondContact O-CE2 3.24Å
1088P88.1Confident87.9Confident59 Ų5946.3 Ų46.338%0.38326%0.26SS..SBendcis-61.9157.74.2-23.534.1000113.8G1086 N1137G1086-P1088 CarbonylContact C-O 3.53Å; P1088-N1137 PolarHBondContact O-ND2 2.63Å
1089A87.7Confident87.5Confident79 Ų7955.7 Ų55.765%0.65330%0.295SS*.PPolyproline II helixtrans-49.1127.1-179.500000111.3
1090P90.1Very high87.4Confident16 Ų1657.6 Ų57.610%0.10430%0.298CS..PPolyproline II helixtrans-64.4143.9-176.4-25.135.3000114.2A1060 D1085 V1135 R1136A1060-P1090 HydrophobicContact CB-CB 3.66Å; A1060-P1090 HydrophobicContact CB-CG 3.65Å; D1085-P1090 WeakPolarHBondContact O-CG 3.34Å; P1090-V1135 HydrophobicContact CB-CB 4.29Å; P1090-R1136 CarbonylContact C-O 3.53Å; P1090-R1136 WeakPolarHBondContact CA-O 3.38Å
1091E89.9Confident87.3Confident99 Ų9958.2 Ų58.246%0.46330%0.301SS..EExtended strand (participates in β ladder)trans-72.4141.6159.7-64.3-178.7174.600109.6F1093 V1135 R1136E1091-F1093 HydrophobicContact CB-CE2 3.78Å; E1091-F1093 HydrophobicContact CB-CZ 4.25Å; E1091-V1135 CarbonylContact O-C 3.59Å; E1091-V1135 VanDerWaalsContact O-CA 3.26Å; E1091-V1135 WeakPolarHBondContact O-CA 3.05Å; E1091-R1136 HydrophobicContact CB-CG 4.06Å; E1091-R1136 PolarHBondContact N-O 3.1Å; E1091-R1136 PolarHBondContact O-N 2.59Å; E1091-R1136 IonicContact OE2-CZ 3.14Å; E1091-R1136 IonicContact OE2-NE 2.57Å; E1091-R1136 PolarHBondContact OE2-NE 2.86Å; E1091-R1136 IonicContact OE2-NH2 3.23Å; E1091-R1136 PolarHBondContact OE2-NH2 2.94Å
1092I90.4Very high87.1Confident13 Ų1360.5 Ų60.57%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-127129.3-171-50.8166.9000109.9I1084 K1111 T1116 I1133 V1135I1084-I1092 HydrophobicContact CD1-CD1 3.22Å; I1084-I1092 HydrophobicContact CD1-CG1 3.63Å; I1092-K1111 HydrophobicContact CB-CD 4.32Å; I1092-K1111 HydrophobicContact CD1-CB 4.41Å; I1092-K1111 HydrophobicContact CD1-CD 4.34Å; I1092-K1111 HydrophobicContact CD1-CG 4.28Å; I1092-K1111 PolarHBondContact O-NZ 2.87Å; I1092-T1116 HydrophobicContact CD1-CG2 4.41Å; I1092-T1116 HydrophobicContact CG2-CG2 3.75Å; I1092-I1133 HydrophobicContact CG2-CD1 4.3Å; I1092-I1133 HydrophobicContact CG2-CG1 4.36Å; I1092-V1135 HydrophobicContact CG1-CG1 4.38Å; I1092-V1135 HydrophobicContact CG2-CG1 4.41Å
1093F88.8Confident86.8Confident45 Ų4565.5 Ų65.520%0.19734%0.338CS..EExtended strand (participates in β ladder)trans-128.7131.8177.1-55.6-88.4000109.7E1091 E1100 I1133 F1134 R1136E1091-F1093 HydrophobicContact CB-CE2 3.78Å; E1091-F1093 HydrophobicContact CB-CZ 4.25Å; F1093-E1100 HydrophobicContact CD1-CG 4.49Å; F1093-E1100 WeakPolarHBondContact CD1-OE1 3.42Å; F1093-I1133 WeakPolarHBondContact O-CA 3.31Å; F1093-F1134 HydrophobicContact CB-CB 4.27Å; F1093-F1134 HydrophobicContact CB-CD1 4.29Å; F1093-F1134 AromaticContact CD2-CD1 3.67Å; F1093-F1134 HydrophobicContact CD2-CD1 3.67Å; F1093-F1134 HydrophobicContact CD2-CE1 4.24Å; F1093-F1134 HydrophobicContact CE2-CD1 4.43Å; F1093-F1134 HydrophobicContact CG-CD1 4.25Å; F1093-F1134 PolarHBondContact N-O 2.96Å; F1093-F1134 PolarHBondContact O-N 3.34Å; F1093-R1136 HydrophobicContact CE2-CG 4.22Å
1094W91.3Very high86.4Confident2 Ų268 Ų681%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-100133.5167.6-78.594.2000108.3L1066 L1080 E1100 I1101 I1109 T1116 I1118 S1132 I1133L1066-W1094 HydrophobicContact CD1-CH2 3.75Å; L1066-W1094 HydrophobicContact CD1-CZ3 3.75Å; L1066-W1094 HydrophobicContact CD2-CH2 4.41Å; L1080-W1094 HydrophobicContact CB-CH2 4.01Å; L1080-W1094 HydrophobicContact CB-CZ3 4.41Å; W1094-E1100 WeakPolarHBondContact O-CA 3.2Å; W1094-I1101 HydrophobicContact CB-CB 4.44Å; W1094-I1101 HydrophobicContact CB-CD1 4.28Å; W1094-I1101 PolarHBondContact O-N 2.92Å; W1094-I1109 HydrophobicContact CB-CD1 4.24Å; W1094-T1116 HydrophobicContact CZ2-CG2 4.17Å; W1094-T1116 PolarHBondContact NE1-OG1 2.82Å; W1094-T1116 VanDerWaalsContact NE1-OG1 3.11Å; W1094-I1118 HydrophobicContact CB-CD1 4.08Å; W1094-I1118 HydrophobicContact CD2-CB 3.79Å; W1094-I1118 HydrophobicContact CD2-CD1 4.41Å; W1094-I1118 HydrophobicContact CD2-CG2 3.62Å; W1094-I1118 HydrophobicContact CE3-CB 4.13Å; W1094-I1118 HydrophobicContact CE3-CG2 3.44Å; W1094-I1118 VanDerWaalsContact CE3-CG2 3.44Å; W1094-I1118 HydrophobicContact CG-CB 4.13Å; W1094-I1118 HydrophobicContact CG-CD1 4.25Å; W1094-I1118 HydrophobicContact CG-CG2 4.42Å; W1094-I1118 HydrophobicContact CH2-CB 4.48Å; W1094-I1118 HydrophobicContact CH2-CG2 3.56Å; W1094-I1118 HydrophobicContact CZ2-CB 4.2Å; W1094-I1118 HydrophobicContact CZ2-CG2 3.75Å; W1094-I1118 HydrophobicContact CZ3-CB 4.46Å; W1094-I1118 HydrophobicContact CZ3-CG2 3.41Å; W1094-I1118 VanDerWaalsContact CZ3-CG2 3.41Å; W1094-S1132 CarbonylContact C-O 3.59Å; W1094-S1132 WeakPolarHBondContact CA-O 3.48Å; W1094-I1133 HydrophobicContact CD2-CB 4.35Å; W1094-I1133 HydrophobicContact CE3-CB 4.18Å; W1094-I1133 HydrophobicContact CH2-CB 4.28Å; W1094-I1133 HydrophobicContact CZ2-CB 4.42Å; W1094-I1133 HydrophobicContact CZ2-CD1 4.22Å; W1094-I1133 HydrophobicContact CZ3-CB 4.15Å
1095L88.6Confident85.6Confident31 Ų3174.2 Ų74.216%0.16239%0.389CS..EExtended strand (participates in β ladder)trans-123.3147-174.9-57.1159.7000109.2R1099 E1100 Y1131 S1132 F1134L1095-R1099 CarbonylContact C-O 3.55Å; L1095-R1099 WeakPolarHBondContact CA-O 3.49Å; L1095-E1100 HydrophobicContact CD2-CB 4.29Å; L1095-Y1131 CarbonylContact O-C 3.51Å; L1095-Y1131 VanDerWaalsContact O-CA 3.32Å; L1095-Y1131 WeakPolarHBondContact O-CA 3.37Å; L1095-S1132 PolarHBondContact N-O 2.9Å; L1095-S1132 PolarHBondContact O-N 2.84Å; L1095-F1134 HydrophobicContact CD1-CB 3.8Å
1096R87.8Confident85.5Confident50 Ų5074.8 Ų74.819%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-129.3122.3168.2-173.5175.8-177.3-148.5-18.6108.8D1098 R1099 I1101 E1126 D1127 S1128 K1130 Y1131R1096-D1098 PolarHBondContact O-N 3.33Å; R1096-R1099 PolarHBondContact N-O 3.08Å; R1096-R1099 PolarHBondContact O-N 2.88Å; R1096-I1101 HydrophobicContact CB-CD1 3.74Å; R1096-I1101 HydrophobicContact CB-CG1 3.8Å; R1096-E1126 PolarHBondContact NH2-O 3.1Å; R1096-D1127 IonicContact NH1-OD1 3.16Å; R1096-D1127 PolarHBondContact NH1-OD1 3.32Å; R1096-D1127 PolarHBondContact NH2-O 3.2Å; R1096-S1128 PolarHBondContact NH2-O 2.77Å; R1096-K1130 WeakPolarHBondContact CA-O 3.11Å; R1096-Y1131 HydrophobicContact CB-CD1 4.38Å; R1096-Y1131 HydrophobicContact CB-CE1 4.32Å; R1096-Y1131 HydrophobicContact CG-CD1 4.42Å; R1096-Y1131 HydrophobicContact CG-CE1 4.12Å; R1096-Y1131 HydrophobicContact CG-CE2 4.43Å; R1096-Y1131 PolarHBondContact NE-OH 3.39Å
1097N76.6Confident85.5Confident93 Ų9375.2 Ų75.250%0.49739%0.387SS..THydrogen-bonded Turntrans46.849.1-173.3-56.6-34.4000111.5R1099 K1130N1097-R1099 PolarHBondContact O-N 3.47Å; N1097-K1130 PolarHBondContact N-O 2.81Å
1098D76.8Confident85.6Confident124 Ų12473 Ų7366%0.66338%0.377SS*.THydrogen-bonded Turntrans64.114.8179.7-49.2-45.6000116.2R1096R1096-D1098 PolarHBondContact O-N 3.33Å
1099R81.7Confident85.7Confident199 Ų19971.4 Ų71.475%0.75137%0.365SS*.EExtended strand (participates in β ladder)trans-113.4137.3174.1-63.4-174.9-179.4-171.50.3111.9L1095 R1096 N1097 I1101L1095-R1099 CarbonylContact C-O 3.55Å; L1095-R1099 WeakPolarHBondContact CA-O 3.49Å; R1096-R1099 PolarHBondContact N-O 3.08Å; R1096-R1099 PolarHBondContact O-N 2.88Å; N1097-R1099 PolarHBondContact O-N 3.47Å; R1099-I1101 PolarHBondContact O-N 3.46Å
1100E87.8Confident85.7Confident104 Ų10471 Ų7149%0.48635%0.354SS..EExtended strand (participates in β ladder)trans-61.4130178.9-169.7178.6-178.500112F1093 W1094 L1095F1093-E1100 HydrophobicContact CD1-CG 4.49Å; F1093-E1100 WeakPolarHBondContact CD1-OE1 3.42Å; W1094-E1100 WeakPolarHBondContact O-CA 3.2Å; L1095-E1100 HydrophobicContact CD2-CB 4.29Å
1101I88.2Confident85.5Confident14 Ų1475.9 Ų75.97%0.07237%0.374CS..PPolyproline II helixtrans-89.2123.1174.2-52.4172.4000107.6W1094 R1096 R1099 F1107 I1109 I1118 Y1131W1094-I1101 HydrophobicContact CB-CB 4.44Å; W1094-I1101 HydrophobicContact CB-CD1 4.28Å; W1094-I1101 PolarHBondContact O-N 2.92Å; R1096-I1101 HydrophobicContact CB-CD1 3.74Å; R1096-I1101 HydrophobicContact CB-CG1 3.8Å; R1099-I1101 PolarHBondContact O-N 3.46Å; I1101-F1107 HydrophobicContact CG2-CB 3.58Å; I1101-F1107 HydrophobicContact CG2-CD1 4.1Å; I1101-F1107 HydrophobicContact CG2-CD2 3.73Å; I1101-F1107 HydrophobicContact CG2-CE2 4.48Å; I1101-F1107 HydrophobicContact CG2-CG 3.52Å; I1101-I1109 HydrophobicContact CG2-CD1 4.46Å; I1101-I1109 WeakPolarHBondContact O-CD1 3.35Å; I1101-I1118 HydrophobicContact CB-CD1 4.39Å; I1101-I1118 HydrophobicContact CD1-CD1 3.49Å; I1101-I1118 VanDerWaalsContact CD1-CD1 3.49Å; I1101-I1118 HydrophobicContact CG2-CD1 4.04Å; I1101-Y1131 HydrophobicContact CD1-CD1 3.77Å; I1101-Y1131 HydrophobicContact CD1-CE1 3.89Å
1102L84.6Confident85Confident100 Ų10076.3 Ų76.352%0.52438%0.376SS..PPolyproline II helixtrans-92.7148174.3-59.5175.9000110Q1104L1102-Q1104 HydrophobicContact CB-CG 4.4Å; L1102-Q1104 PolarHBondContact O-N 2.96Å; L1102-Q1104 VanDerWaalsContact O-N 3.16Å
1103D80.4Confident84.2Confident106 Ų10681 Ų8157%0.56741%0.41SS*.SBendtrans-65.1111.1176.5-169.530.9000110.2T1108 I1109D1103-T1108 VanDerWaalsContact OD1-CA 3.28Å; D1103-T1108 WeakPolarHBondContact OD1-CA 3.23Å; D1103-I1109 PolarHBondContact OD1-N 2.98Å
1104Q81.1Confident83.9Confident120 Ų12084.7 Ų84.756%0.56143%0.426SS*.  trans-147.2175.5-171.6-67.5-173.31.300110.8L1102 Q1106 F1107L1102-Q1104 HydrophobicContact CB-CG 4.4Å; L1102-Q1104 PolarHBondContact O-N 2.96Å; L1102-Q1104 VanDerWaalsContact O-N 3.16Å; Q1104-Q1106 PolarHBondContact O-N 3.46Å; Q1104-Q1106 VanDerWaalsContact O-N 3.16Å; Q1104-F1107 PolarHBondContact N-O 3.46Å; Q1104-F1107 CarbonylContact O-C 3.51Å; Q1104-F1107 VanDerWaalsContact O-C 3.23Å; Q1104-F1107 PolarHBondContact O-N 3.32Å; Q1104-F1107 VanDerWaalsContact O-N 3.08Å
1105T76.1Confident83.8Confident135 Ų13589.6 Ų89.683%0.82845%0.445SS*.SBendtrans-56.8-34.2-178.647.30000113.7N1121T1105-N1121 PolarHBondContact O-ND2 2.85Å
1106Q84.4Confident83.9Confident62 Ų6288.2 Ų88.229%0.2944%0.437SS..SBendtrans-79.6-30.2177.6-171.16312.800113.3Q1104 N1121 D1127Q1104-Q1106 PolarHBondContact O-N 3.46Å; Q1104-Q1106 VanDerWaalsContact O-N 3.16Å; Q1106-N1121 PolarHBondContact NE2-O 3.3Å; Q1106-N1121 PolarHBondContact O-N 2.84Å; Q1106-N1121 PolarHBondContact OE1-O 2.81Å; Q1106-D1127 PolarHBondContact NE2-OD2 2.83Å
1107F89.2Confident84Confident26 Ų2686.6 Ų86.611%0.11443%0.434CS..EExtended strand (participates in β ladder)trans-131.5111.8-174.7-60.3-73.8000110.7I1101 Q1104 I1118 T1119 V1120 Y1131I1101-F1107 HydrophobicContact CG2-CB 3.58Å; I1101-F1107 HydrophobicContact CG2-CD1 4.1Å; I1101-F1107 HydrophobicContact CG2-CD2 3.73Å; I1101-F1107 HydrophobicContact CG2-CE2 4.48Å; I1101-F1107 HydrophobicContact CG2-CG 3.52Å; Q1104-F1107 PolarHBondContact N-O 3.46Å; Q1104-F1107 CarbonylContact O-C 3.51Å; Q1104-F1107 VanDerWaalsContact O-C 3.23Å; Q1104-F1107 PolarHBondContact O-N 3.32Å; Q1104-F1107 VanDerWaalsContact O-N 3.08Å; F1107-I1118 HydrophobicContact CB-CD1 4.45Å; F1107-I1118 HydrophobicContact CD1-CD1 4.14Å; F1107-T1119 CarbonylContact C-O 3.45Å; F1107-T1119 WeakPolarHBondContact CA-O 3.48Å; F1107-V1120 HydrophobicContact CD1-CB 4.4Å; F1107-V1120 HydrophobicContact CD1-CG1 4.21Å; F1107-V1120 HydrophobicContact CD1-CG2 3.95Å; F1107-V1120 HydrophobicContact CE1-CB 4.3Å; F1107-V1120 HydrophobicContact CE1-CG1 3.74Å; F1107-V1120 HydrophobicContact CE1-CG2 3.86Å; F1107-Y1131 HydrophobicContact CE1-CE1 4Å
1108T88.1Confident84.7Confident55 Ų5582.1 Ų82.134%0.33741%0.41SS..EExtended strand (participates in β ladder)trans-101.9121.5176.7-52.40000110.6D1103 I1118 T1119 N1121D1103-T1108 VanDerWaalsContact OD1-CA 3.28Å; D1103-T1108 WeakPolarHBondContact OD1-CA 3.23Å; T1108-I1118 CarbonylContact O-C 3.47Å; T1108-I1118 WeakPolarHBondContact O-CA 3.47Å; T1108-T1119 PolarHBondContact N-O 3.29Å; T1108-T1119 PolarHBondContact O-N 2.91Å; T1108-N1121 PolarHBondContact OG1-ND2 3.04Å
1109I90.4Very high85.5Confident26 Ų2677.9 Ų77.913%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-110.2124.1-177.8-58.4173.1000110.9W1094 I1101 D1103 K1111 S1117 I1118W1094-I1109 HydrophobicContact CB-CD1 4.24Å; I1101-I1109 HydrophobicContact CG2-CD1 4.46Å; I1101-I1109 WeakPolarHBondContact O-CD1 3.35Å; D1103-I1109 PolarHBondContact OD1-N 2.98Å; I1109-K1111 HydrophobicContact CG2-CG 4.14Å; I1109-S1117 WeakPolarHBondContact CA-O 3.38Å; I1109-I1118 HydrophobicContact CG1-CB 4.49Å; I1109-I1118 HydrophobicContact CG1-CD1 4.29Å; I1109-I1118 HydrophobicContact CG1-CG1 4.11Å
1110T88Confident85.9Confident70 Ų7068.4 Ų68.443%0.42935%0.352SS..EExtended strand (participates in β ladder)trans-108.9131.2173.4-50.30000109.9T1116 S1117T1110-T1116 CarbonylContact O-C 3.49Å; T1110-T1116 VanDerWaalsContact O-CA 3.22Å; T1110-T1116 WeakPolarHBondContact O-CA 3.43Å; T1110-T1116 PolarHBondContact O-OG1 3.23Å; T1110-S1117 PolarHBondContact N-O 3.08Å; T1110-S1117 PolarHBondContact O-N 2.92Å
1111K84.5Confident86Confident119 Ų11965.6 Ų65.652%0.51734%0.341SS..EExtended strand (participates in β ladder)trans-124119.2177.4-60.4-176.9-172.5-176.80110.1I1092 I1109I1092-K1111 HydrophobicContact CB-CD 4.32Å; I1092-K1111 HydrophobicContact CD1-CB 4.41Å; I1092-K1111 HydrophobicContact CD1-CD 4.34Å; I1092-K1111 HydrophobicContact CD1-CG 4.28Å; I1092-K1111 PolarHBondContact O-NZ 2.87Å; I1109-K1111 HydrophobicContact CG2-CG 4.14Å
1112E80.5Confident85.9Confident109 Ų10972.4 Ų72.451%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-118.8166.7172.2-63.2176.5-178.500109.4K1114 R1115E1112-K1114 PolarHBondContact O-N 3.27Å; E1112-R1115 CarbonylContact C-O 3.5Å; E1112-R1115 WeakPolarHBondContact CA-O 3.39Å; E1112-R1115 HydrophobicContact CB-CB 4.29Å; E1112-R1115 PolarHBondContact N-O 3.29Å; E1112-R1115 PolarHBondContact O-N 3.13Å
1113S73Confident86.2Confident111 Ų11167.6 Ų67.678%0.77635%0.345SS*.THydrogen-bonded Turntrans-57.5-25-171.656.90000115.8
1114K83.9Confident86.6Confident123 Ų12365 Ų6554%0.53533%0.333SS..THydrogen-bonded Turntrans-134.611.6177.7-65-160.8173.3-1440113.9F1083 I1084 D1085 E1112F1083-K1114 WeakPolarHBondContact CA-O 3.13Å; I1084-K1114 PolarHBondContact N-O 2.83Å; I1084-K1114 WeakPolarHBondContact O-CA 3.36Å; D1085-K1114 IonicContact OD1-NZ 3.73Å; D1085-K1114 PolarHBondContact OD1-NZ 3Å; E1112-K1114 PolarHBondContact O-N 3.27Å
1115R88.1Confident86.8Confident105 Ų10562.1 Ų62.140%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-148.5140-172.3-177.4-172.8-65.2-179.14.4110.4T1081 C1082 F1083 E1112T1081-R1115 HydrophobicContact CG2-CG 3.83Å; C1082-R1115 WeakPolarHBondContact O-CA 3.15Å; F1083-R1115 HydrophobicContact CD1-CB 4.46Å; F1083-R1115 HydrophobicContact CE1-CG 4.44Å; F1083-R1115 VanDerWaalsContact CE1-NE 3.31Å; E1112-R1115 CarbonylContact C-O 3.5Å; E1112-R1115 WeakPolarHBondContact CA-O 3.39Å; E1112-R1115 HydrophobicContact CB-CB 4.29Å; E1112-R1115 PolarHBondContact N-O 3.29Å; E1112-R1115 PolarHBondContact O-N 3.13Å
1116T90.3Very high87.2Confident1 Ų163.5 Ų63.51%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-137.2147.3167.6-176.90000110.5T1081 C1082 I1092 W1094 T1110 I1133T1081-T1116 WeakPolarHBondContact CA-O 3.49Å; C1082-T1116 HydrophobicContact CB-CG2 4.16Å; C1082-T1116 PolarHBondContact N-O 2.78Å; C1082-T1116 PolarHBondContact O-N 2.85Å; I1092-T1116 HydrophobicContact CD1-CG2 4.41Å; I1092-T1116 HydrophobicContact CG2-CG2 3.75Å; W1094-T1116 HydrophobicContact CZ2-CG2 4.17Å; W1094-T1116 PolarHBondContact NE1-OG1 2.82Å; W1094-T1116 VanDerWaalsContact NE1-OG1 3.11Å; T1110-T1116 CarbonylContact O-C 3.49Å; T1110-T1116 VanDerWaalsContact O-CA 3.22Å; T1110-T1116 WeakPolarHBondContact O-CA 3.43Å; T1110-T1116 PolarHBondContact O-OG1 3.23Å; T1116-I1133 HydrophobicContact CG2-CD1 3.32Å; T1116-I1133 HydrophobicContact CG2-CG1 4.49Å
1117S90.6Very high87.4Confident16 Ų1660.9 Ų60.911%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-134.9142.6176.5-54.10000110.4L1080 T1081 I1109 T1110L1080-S1117 CarbonylContact O-C 3.54Å; L1080-S1117 WeakPolarHBondContact O-CA 3.18Å; L1080-S1117 WeakPolarHBondContact O-CB 3.29Å; T1081-S1117 WeakPolarHBondContact CB-OG 3.42Å; T1081-S1117 VanDerWaalsContact CG2-OG 3.27Å; T1081-S1117 WeakPolarHBondContact CG2-OG 3.41Å; T1081-S1117 WeakPolarHBondContact OG1-CB 3.32Å; T1081-S1117 PolarHBondContact OG1-OG 3.45Å; I1109-S1117 WeakPolarHBondContact CA-O 3.38Å; T1110-S1117 PolarHBondContact N-O 3.08Å; T1110-S1117 PolarHBondContact O-N 2.92Å
1118I91.9Very high87.4Confident0 Ų062.3 Ų62.30%032%0.322CS..EExtended strand (participates in β ladder)trans-113.7130.4166-174.5168.7000109C1079 L1080 W1094 I1101 F1107 T1108 I1109C1079-I1118 WeakPolarHBondContact CA-O 3.38Å; L1080-I1118 HydrophobicContact CB-CG2 3.83Å; L1080-I1118 HydrophobicContact CD1-CG2 4.21Å; L1080-I1118 HydrophobicContact CG-CG2 4.46Å; L1080-I1118 PolarHBondContact N-O 2.92Å; L1080-I1118 PolarHBondContact O-N 3.35Å; W1094-I1118 HydrophobicContact CB-CD1 4.08Å; W1094-I1118 HydrophobicContact CD2-CB 3.79Å; W1094-I1118 HydrophobicContact CD2-CD1 4.41Å; W1094-I1118 HydrophobicContact CD2-CG2 3.62Å; W1094-I1118 HydrophobicContact CE3-CB 4.13Å; W1094-I1118 HydrophobicContact CE3-CG2 3.44Å; W1094-I1118 VanDerWaalsContact CE3-CG2 3.44Å; W1094-I1118 HydrophobicContact CG-CB 4.13Å; W1094-I1118 HydrophobicContact CG-CD1 4.25Å; W1094-I1118 HydrophobicContact CG-CG2 4.42Å; W1094-I1118 HydrophobicContact CH2-CB 4.48Å; W1094-I1118 HydrophobicContact CH2-CG2 3.56Å; W1094-I1118 HydrophobicContact CZ2-CB 4.2Å; W1094-I1118 HydrophobicContact CZ2-CG2 3.75Å; W1094-I1118 HydrophobicContact CZ3-CB 4.46Å; W1094-I1118 HydrophobicContact CZ3-CG2 3.41Å; W1094-I1118 VanDerWaalsContact CZ3-CG2 3.41Å; I1101-I1118 HydrophobicContact CB-CD1 4.39Å; I1101-I1118 HydrophobicContact CD1-CD1 3.49Å; I1101-I1118 VanDerWaalsContact CD1-CD1 3.49Å; I1101-I1118 HydrophobicContact CG2-CD1 4.04Å; F1107-I1118 HydrophobicContact CB-CD1 4.45Å; F1107-I1118 HydrophobicContact CD1-CD1 4.14Å; T1108-I1118 CarbonylContact O-C 3.47Å; T1108-I1118 WeakPolarHBondContact O-CA 3.47Å; I1109-I1118 HydrophobicContact CG1-CB 4.49Å; I1109-I1118 HydrophobicContact CG1-CD1 4.29Å; I1109-I1118 HydrophobicContact CG1-CG1 4.11Å
1119T91.8Very high87.3Confident34 Ų3460.7 Ų60.721%0.20932%0.316CS..EExtended strand (participates in β ladder)trans-109.6119.6173.9-54.50000109.5L1078 F1107 T1108L1078-T1119 CarbonylContact O-C 3.51Å; L1078-T1119 WeakPolarHBondContact O-CA 3.42Å; F1107-T1119 CarbonylContact C-O 3.45Å; F1107-T1119 WeakPolarHBondContact CA-O 3.48Å; T1108-T1119 PolarHBondContact N-O 3.29Å; T1108-T1119 PolarHBondContact O-N 2.91Å
1120V91.8Very high87.3Confident0 Ų063 Ų630%033%0.326CS..EExtended strand (participates in β ladder)trans-91113.3170.3-169.50000107.8S1077 L1078 F1107 V1123 D1127 Y1131S1077-V1120 CarbonylContact C-O 3.5Å; S1077-V1120 VanDerWaalsContact CA-O 3.28Å; S1077-V1120 WeakPolarHBondContact CA-O 3.25Å; S1077-V1120 WeakPolarHBondContact CB-O 3.33Å; L1078-V1120 HydrophobicContact CB-CB 4.37Å; L1078-V1120 PolarHBondContact N-O 3.47Å; L1078-V1120 PolarHBondContact O-N 2.79Å; F1107-V1120 HydrophobicContact CD1-CB 4.4Å; F1107-V1120 HydrophobicContact CD1-CG1 4.21Å; F1107-V1120 HydrophobicContact CD1-CG2 3.95Å; F1107-V1120 HydrophobicContact CE1-CB 4.3Å; F1107-V1120 HydrophobicContact CE1-CG1 3.74Å; F1107-V1120 HydrophobicContact CE1-CG2 3.86Å; V1120-V1123 HydrophobicContact CB-CG2 3.95Å; V1120-V1123 HydrophobicContact CG1-CG2 3.84Å; V1120-D1127 HydrophobicContact CG1-CB 4.32Å; V1120-Y1131 HydrophobicContact CG2-CE1 4.24Å
1121N88.5Confident87.5Confident45 Ų4559.7 Ų59.724%0.24131%0.305CS..SBendtrans-84.5126.1-174.3-67.2-42000110.7T1105 Q1106 T1108T1105-N1121 PolarHBondContact O-ND2 2.85Å; Q1106-N1121 PolarHBondContact NE2-O 3.3Å; Q1106-N1121 PolarHBondContact O-N 2.84Å; Q1106-N1121 PolarHBondContact OE1-O 2.81Å; T1108-N1121 PolarHBondContact OG1-ND2 3.04Å
1122K87.6Confident87.7Confident157 Ų15754 Ų5468%0.68328%0.28SS*.SBendtrans48.667.5179.5-63.9-179.1178177.70112.8S1077 T1124S1077-K1122 PolarHBondContact OG-N 2.98Å; K1122-T1124 PolarHBondContact O-N 3.17Å
1123V90.1Very high88.2Confident0 Ų048.9 Ų48.90%026%0.256CS..  trans-54.9130.1-176.2-179.80000111.5I1072 G1075 K1076 L1078 V1120 D1127 L1148 V1150I1072-V1123 HydrophobicContact CD1-CG2 4.45Å; I1072-V1123 HydrophobicContact CG2-CB 4.17Å; I1072-V1123 HydrophobicContact CG2-CG1 3.78Å; I1072-V1123 HydrophobicContact CG2-CG2 4.2Å; G1075-V1123 PolarHBondContact N-O 2.87Å; K1076-V1123 WeakPolarHBondContact O-CB 3.43Å; K1076-V1123 VanDerWaalsContact O-CG2 3.31Å; K1076-V1123 WeakPolarHBondContact O-CG2 3.48Å; K1076-V1123 PolarHBondContact O-N 2.89Å; L1078-V1123 HydrophobicContact CB-CG2 3.89Å; V1120-V1123 HydrophobicContact CB-CG2 3.95Å; V1120-V1123 HydrophobicContact CG1-CG2 3.84Å; V1123-D1127 HydrophobicContact CG1-CB 4.01Å; V1123-L1148 HydrophobicContact CG1-CD2 4.33Å; V1123-V1150 HydrophobicContact CG1-CB 4.34Å; V1123-V1150 HydrophobicContact CG1-CG1 3.97Å; V1123-V1150 HydrophobicContact CG1-CG2 3.38Å
1124T89.4Confident89Confident52 Ų5246.1 Ų46.132%0.31923%0.23SC..  trans-109.6166.117465.40000111.1K1122 E1126 D1127K1122-T1124 PolarHBondContact O-N 3.17Å; T1124-E1126 PolarHBondContact O-N 3.2Å; T1124-E1126 PolarHBondContact OG1-N 3.02Å; T1124-D1127 PolarHBondContact N-OD2 3.31Å; T1124-D1127 WeakPolarHBondContact O-CB 3.48Å; T1124-D1127 PolarHBondContact O-N 2.81Å; T1124-D1127 PolarHBondContact OG1-OD2 2.74Å
1125T84.3Confident89.3Confident59 Ų5940.2 Ų40.236%0.36221%0.205SC..G310 helixtrans-57.7-27.4172.848.80000113.5E1074 D1127 S1128E1074-T1125 PolarHBondContact OE1-N 2.84Å; T1125-D1127 PolarHBondContact O-N 3Å; T1125-S1128 WeakPolarHBondContact O-CB 3.33Å; T1125-S1128 PolarHBondContact O-N 2.75Å; T1125-S1128 PolarHBondContact O-OG 3.29Å
1126E85.5Confident89.4Confident163 Ų16340.6 Ų40.676%0.76221%0.206SC*.G310 helixtrans-70.4-15.5174.5-64.6-176.1-176.800113.3R1096 T1124 S1128R1096-E1126 PolarHBondContact NH2-O 3.1Å; T1124-E1126 PolarHBondContact O-N 3.2Å; T1124-E1126 PolarHBondContact OG1-N 3.02Å; E1126-S1128 VanDerWaalsContact C-N 3.34Å
1127D88.1Confident89.4Confident8 Ų841.9 Ų41.94%0.04321%0.213CC..G310 helixtrans-84.1-7176.9-66.3-56.2000113.3R1096 Q1106 V1120 V1123 T1124 T1125 Y1131R1096-D1127 IonicContact NH1-OD1 3.16Å; R1096-D1127 PolarHBondContact NH1-OD1 3.32Å; R1096-D1127 PolarHBondContact NH2-O 3.2Å; Q1106-D1127 PolarHBondContact NE2-OD2 2.83Å; V1120-D1127 HydrophobicContact CG1-CB 4.32Å; V1123-D1127 HydrophobicContact CG1-CB 4.01Å; T1124-D1127 PolarHBondContact N-OD2 3.31Å; T1124-D1127 WeakPolarHBondContact O-CB 3.48Å; T1124-D1127 PolarHBondContact O-N 2.81Å; T1124-D1127 PolarHBondContact OG1-OD2 2.74Å; T1125-D1127 PolarHBondContact O-N 3Å; D1127-Y1131 WeakPolarHBondContact O-CE2 3.34Å; D1127-Y1131 PolarHBondContact O-OH 2.74Å
1128S88.3Confident89.1Confident55 Ų5547.8 Ų47.839%0.38524%0.239SC..  trans-60.5156.2174.9620000112.8R1096 T1125 E1126 L1148R1096-S1128 PolarHBondContact NH2-O 2.77Å; T1125-S1128 WeakPolarHBondContact O-CB 3.33Å; T1125-S1128 PolarHBondContact O-N 2.75Å; T1125-S1128 PolarHBondContact O-OG 3.29Å; E1126-S1128 VanDerWaalsContact C-N 3.34Å; S1128-L1148 WeakPolarHBondContact CA-O 3.5Å; S1128-L1148 WeakPolarHBondContact CB-O 3.39Å
1129G87.1Confident88.7Confident22 Ų2252.2 Ų52.223%0.22726%0.256CS..EExtended strand (participates in β ladder)trans126.2-166.6176.800000114L1148G1129-L1148 PolarHBondContact N-O 2.71Å; G1129-L1148 PolarHBondContact O-N 2.69Å
1130K89.8Confident88.4Confident75 Ų7551.9 Ų51.933%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-87.3123.8-172.8-172-174.7-179.9-1680110.6R1096 N1097 D1145R1096-K1130 WeakPolarHBondContact CA-O 3.11Å; N1097-K1130 PolarHBondContact N-O 2.81Å; K1130-D1145 VanDerWaalsContact CE-CB 3.47Å; K1130-D1145 WeakPolarHBondContact CE-OD1 3.45Å; K1130-D1145 WeakPolarHBondContact CE-OD2 3.14Å; K1130-D1145 IonicContact NZ-OD1 3.05Å; K1130-D1145 PolarHBondContact NZ-OD1 3.42Å; K1130-D1145 IonicContact NZ-OD2 3.04Å; K1130-D1145 PolarHBondContact NZ-OD2 2.86Å
1131Y91.9Very high88.3Confident0 Ų055 Ų550%028%0.281CS..EExtended strand (participates in β ladder)trans-108.7137.4168.8-69.6-103.1000108.8L1095 R1096 I1101 F1107 V1120 D1127 D1145 V1146 L1148L1095-Y1131 CarbonylContact O-C 3.51Å; L1095-Y1131 VanDerWaalsContact O-CA 3.32Å; L1095-Y1131 WeakPolarHBondContact O-CA 3.37Å; R1096-Y1131 HydrophobicContact CB-CD1 4.38Å; R1096-Y1131 HydrophobicContact CB-CE1 4.32Å; R1096-Y1131 HydrophobicContact CG-CD1 4.42Å; R1096-Y1131 HydrophobicContact CG-CE1 4.12Å; R1096-Y1131 HydrophobicContact CG-CE2 4.43Å; R1096-Y1131 PolarHBondContact NE-OH 3.39Å; I1101-Y1131 HydrophobicContact CD1-CD1 3.77Å; I1101-Y1131 HydrophobicContact CD1-CE1 3.89Å; F1107-Y1131 HydrophobicContact CE1-CE1 4Å; V1120-Y1131 HydrophobicContact CG2-CE1 4.24Å; D1127-Y1131 WeakPolarHBondContact O-CE2 3.34Å; D1127-Y1131 PolarHBondContact O-OH 2.74Å; Y1131-D1145 CarbonylContact O-C 3.51Å; Y1131-D1145 WeakPolarHBondContact O-CA 3.45Å; Y1131-V1146 PolarHBondContact N-O 2.71Å; Y1131-V1146 PolarHBondContact O-N 2.86Å; Y1131-L1148 HydrophobicContact CD2-CB 3.9Å; Y1131-L1148 HydrophobicContact CE2-CB 3.75Å; Y1131-L1148 HydrophobicContact CE2-CD2 3.72Å; Y1131-L1148 HydrophobicContact CE2-CG 4.37Å
1132S90.2Very high88.3Confident0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-128.8140.7179-49.30000110.3W1094 L1095 V1144 D1145W1094-S1132 CarbonylContact C-O 3.59Å; W1094-S1132 WeakPolarHBondContact CA-O 3.48Å; L1095-S1132 PolarHBondContact N-O 2.9Å; L1095-S1132 PolarHBondContact O-N 2.84Å; S1132-V1144 CarbonylContact C-O 3.39Å; S1132-V1144 VanDerWaalsContact CA-O 3.23Å; S1132-V1144 WeakPolarHBondContact CA-O 3.39Å; S1132-D1145 WeakPolarHBondContact CB-OD1 3.33Å; S1132-D1145 PolarHBondContact OG-OD1 2.64Å
1133I90.7Very high88.4Confident0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-101.7122.3164.6179.7177.6000107.8V1062 L1066 C1082 I1084 I1092 F1093 W1094 T1116 V1135 T1143 V1144V1062-I1133 HydrophobicContact CG2-CG2 4.4Å; L1066-I1133 HydrophobicContact CD1-CG2 4.36Å; C1082-I1133 HydrophobicContact CB-CD1 3.63Å; I1084-I1133 HydrophobicContact CG2-CD1 4.25Å; I1092-I1133 HydrophobicContact CG2-CD1 4.3Å; I1092-I1133 HydrophobicContact CG2-CG1 4.36Å; F1093-I1133 WeakPolarHBondContact O-CA 3.31Å; W1094-I1133 HydrophobicContact CD2-CB 4.35Å; W1094-I1133 HydrophobicContact CE3-CB 4.18Å; W1094-I1133 HydrophobicContact CH2-CB 4.28Å; W1094-I1133 HydrophobicContact CZ2-CB 4.42Å; W1094-I1133 HydrophobicContact CZ2-CD1 4.22Å; W1094-I1133 HydrophobicContact CZ3-CB 4.15Å; T1116-I1133 HydrophobicContact CG2-CD1 3.32Å; T1116-I1133 HydrophobicContact CG2-CG1 4.49Å; I1133-V1135 HydrophobicContact CD1-CG1 4.13Å; I1133-V1135 HydrophobicContact CG1-CG1 4.08Å; I1133-T1143 CarbonylContact O-C 3.57Å; I1133-T1143 VanDerWaalsContact O-CA 3.24Å; I1133-T1143 WeakPolarHBondContact O-CA 3.28Å; I1133-V1144 HydrophobicContact CG2-CB 3.73Å; I1133-V1144 PolarHBondContact N-O 2.81Å; I1133-V1144 PolarHBondContact O-N 3.01Å
1134F90.3Very high88.4Confident53 Ų5353 Ų5323%0.23228%0.28CS..EExtended strand (participates in β ladder)trans-110.2121.3173.8174.8-118.5000109.4F1093 L1095 R1136 E1142 T1143F1093-F1134 HydrophobicContact CB-CB 4.27Å; F1093-F1134 HydrophobicContact CB-CD1 4.29Å; F1093-F1134 AromaticContact CD2-CD1 3.67Å; F1093-F1134 HydrophobicContact CD2-CD1 3.67Å; F1093-F1134 HydrophobicContact CD2-CE1 4.24Å; F1093-F1134 HydrophobicContact CE2-CD1 4.43Å; F1093-F1134 HydrophobicContact CG-CD1 4.25Å; F1093-F1134 PolarHBondContact N-O 2.96Å; F1093-F1134 PolarHBondContact O-N 3.34Å; L1095-F1134 HydrophobicContact CD1-CB 3.8Å; F1134-R1136 HydrophobicContact CE1-CB 4.36Å; F1134-R1136 HydrophobicContact CE1-CG 4.29Å; F1134-R1136 HydrophobicContact CZ-CB 4.15Å; F1134-E1142 WeakPolarHBondContact CA-O 3.31Å; F1134-T1143 VanDerWaalsContact CD2-OG1 3.25Å; F1134-T1143 WeakPolarHBondContact CD2-OG1 3.37Å
1135V90.2Very high88.4Confident0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-117.5141.1176.4-62.90000110.2A1060 V1062 I1084 P1090 E1091 I1092 I1133 S1141 E1142A1060-V1135 HydrophobicContact CB-CB 4.41Å; A1060-V1135 HydrophobicContact CB-CG2 4.23Å; V1062-V1135 HydrophobicContact CG2-CG1 4.39Å; V1062-V1135 HydrophobicContact CG2-CG2 3.84Å; I1084-V1135 HydrophobicContact CG2-CG1 3.8Å; P1090-V1135 HydrophobicContact CB-CB 4.29Å; E1091-V1135 CarbonylContact O-C 3.59Å; E1091-V1135 VanDerWaalsContact O-CA 3.26Å; E1091-V1135 WeakPolarHBondContact O-CA 3.05Å; I1092-V1135 HydrophobicContact CG1-CG1 4.38Å; I1092-V1135 HydrophobicContact CG2-CG1 4.41Å; I1133-V1135 HydrophobicContact CD1-CG1 4.13Å; I1133-V1135 HydrophobicContact CG1-CG1 4.08Å; V1135-S1141 CarbonylContact O-C 3.54Å; V1135-S1141 WeakPolarHBondContact O-CA 3.49Å; V1135-S1141 VanDerWaalsContact O-CB 3.27Å; V1135-S1141 WeakPolarHBondContact O-CB 3.45Å; V1135-E1142 HydrophobicContact CG2-CB 3.97Å; V1135-E1142 PolarHBondContact N-O 2.94Å; V1135-E1142 PolarHBondContact O-N 3.42Å
1136R89.9Confident88.7Confident112 Ų11250.9 Ų50.942%0.42326%0.264SS..EExtended strand (participates in β ladder)trans-147.6151177.369.2175.9-168.9159.74.2112.9A1060 P1090 E1091 F1093 F1134 G1140A1060-R1136 VanDerWaalsContact CB-C 3.49Å; P1090-R1136 CarbonylContact C-O 3.53Å; P1090-R1136 WeakPolarHBondContact CA-O 3.38Å; E1091-R1136 HydrophobicContact CB-CG 4.06Å; E1091-R1136 PolarHBondContact N-O 3.1Å; E1091-R1136 PolarHBondContact O-N 2.59Å; E1091-R1136 IonicContact OE2-CZ 3.14Å; E1091-R1136 IonicContact OE2-NE 2.57Å; E1091-R1136 PolarHBondContact OE2-NE 2.86Å; E1091-R1136 IonicContact OE2-NH2 3.23Å; E1091-R1136 PolarHBondContact OE2-NH2 2.94Å; F1093-R1136 HydrophobicContact CE2-CG 4.22Å; F1134-R1136 HydrophobicContact CE1-CB 4.36Å; F1134-R1136 HydrophobicContact CE1-CG 4.29Å; F1134-R1136 HydrophobicContact CZ-CB 4.15Å; R1136-G1140 CarbonylContact C-O 3.48Å; R1136-G1140 WeakPolarHBondContact CA-O 3.44Å
1137N88.8Confident89Confident28 Ų2846.2 Ų46.215%0.1525%0.247CC..EExtended strand (participates in β ladder)trans-142.7-174.2162.170.54.5000109.3N1058 A1060 P1088 Y1139 G1140N1058-N1137 PolarHBondContact O-ND2 3.24Å; A1060-N1137 HydrophobicContact CB-CB 4.14Å; A1060-N1137 PolarHBondContact N-ND2 2.82Å; A1060-N1137 PolarHBondContact N-OD1 2.73Å; A1060-N1137 VanDerWaalsContact N-OD1 3.08Å; P1088-N1137 PolarHBondContact O-ND2 2.63Å; N1137-Y1139 PolarHBondContact O-N 2.94Å; N1137-Y1139 VanDerWaalsContact O-N 3.12Å; N1137-Y1139 PolarHBondContact OD1-N 3.1Å; N1137-G1140 PolarHBondContact N-O 2.99Å; N1137-G1140 PolarHBondContact O-N 3.3Å; N1137-G1140 VanDerWaalsContact O-O 3.11Å; N1137-G1140 PolarHBondContact OD1-N 3.14Å; N1137-G1140 VanDerWaalsContact OD1-N 3.15Å; N1137-G1140 PolarHBondContact OD1-O 2.86Å
1138Q84.6Confident89.1Confident141 Ų14146 Ų4666%0.65925%0.246SC*.THydrogen-bonded Turntrans-63.1-16-179.168-175.54.500114.6
1139Y84.8Confident89.1Confident93 Ų9345.1 Ų45.137%0.36524%0.24SC..THydrogen-bonded Turntrans-103.2-9.4-177.8-61.4-63.6000113.5A1055 N1058 D1087 N1137A1055-Y1139 HydrophobicContact CB-CD1 3.84Å; A1055-Y1139 HydrophobicContact CB-CG 4.41Å; N1058-Y1139 HydrophobicContact CB-CD2 3.52Å; N1058-Y1139 HydrophobicContact CB-CE2 3.77Å; N1058-Y1139 HydrophobicContact CB-CG 4.18Å; D1087-Y1139 WeakPolarHBondContact O-CD2 3.11Å; D1087-Y1139 VanDerWaalsContact O-CE2 3.29Å; D1087-Y1139 WeakPolarHBondContact O-CE2 3.24Å; N1137-Y1139 PolarHBondContact O-N 2.94Å; N1137-Y1139 VanDerWaalsContact O-N 3.12Å; N1137-Y1139 PolarHBondContact OD1-N 3.1Å
1140G84.9Confident89.2Confident26 Ų2645 Ų4527%0.26824%0.235SC..EExtended strand (participates in β ladder)trans164.9178.8176.700000114R1136 N1137R1136-G1140 CarbonylContact C-O 3.48Å; R1136-G1140 WeakPolarHBondContact CA-O 3.44Å; N1137-G1140 PolarHBondContact N-O 2.99Å; N1137-G1140 PolarHBondContact O-N 3.3Å; N1137-G1140 VanDerWaalsContact O-O 3.11Å; N1137-G1140 PolarHBondContact OD1-N 3.14Å; N1137-G1140 VanDerWaalsContact OD1-N 3.15Å; N1137-G1140 PolarHBondContact OD1-O 2.86Å
1141S88.4Confident89Confident66 Ų6642.4 Ų42.446%0.46222%0.223SC..EExtended strand (participates in β ladder)trans-144.2155.8177.362.20000111.9V1135V1135-S1141 CarbonylContact O-C 3.54Å; V1135-S1141 WeakPolarHBondContact O-CA 3.49Å; V1135-S1141 VanDerWaalsContact O-CB 3.27Å; V1135-S1141 WeakPolarHBondContact O-CB 3.45Å
1142E90.1Very high88.6Confident58 Ų5847.5 Ų47.527%0.27125%0.245SC..EExtended strand (participates in β ladder)trans-142.9143.5177.7-174.4168.1-157.900110.7K1061 V1062 F1134 V1135 V1144K1061-E1142 WeakPolarHBondContact CA-OE2 3.47Å; K1061-E1142 VanDerWaalsContact CB-OE2 3.25Å; K1061-E1142 WeakPolarHBondContact CB-OE2 3.4Å; V1062-E1142 PolarHBondContact N-OE2 2.79Å; F1134-E1142 WeakPolarHBondContact CA-O 3.31Å; V1135-E1142 HydrophobicContact CG2-CB 3.97Å; V1135-E1142 PolarHBondContact N-O 2.94Å; V1135-E1142 PolarHBondContact O-N 3.42Å; E1142-V1144 HydrophobicContact CG-CG2 4.46Å
1143T89.4Confident87.9Confident73 Ų7356.6 Ų56.645%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-122.2129.3174.3-51.10000109.4I1133 F1134I1133-T1143 CarbonylContact O-C 3.57Å; I1133-T1143 VanDerWaalsContact O-CA 3.24Å; I1133-T1143 WeakPolarHBondContact O-CA 3.28Å; F1134-T1143 VanDerWaalsContact CD2-OG1 3.25Å; F1134-T1143 WeakPolarHBondContact CD2-OG1 3.37Å
1144V89.4Confident87Confident28 Ų2860.2 Ų60.217%0.1732%0.322CS..EExtended strand (participates in β ladder)trans-120.4133.5173.1177.30000109.4V1062 S1132 I1133 E1142V1062-V1144 HydrophobicContact CB-CG2 3.79Å; V1062-V1144 HydrophobicContact CG1-CG2 4.04Å; V1062-V1144 HydrophobicContact CG2-CG2 3.83Å; S1132-V1144 CarbonylContact C-O 3.39Å; S1132-V1144 VanDerWaalsContact CA-O 3.23Å; S1132-V1144 WeakPolarHBondContact CA-O 3.39Å; I1133-V1144 HydrophobicContact CG2-CB 3.73Å; I1133-V1144 PolarHBondContact N-O 2.81Å; I1133-V1144 PolarHBondContact O-N 3.01Å; E1142-V1144 HydrophobicContact CG-CG2 4.46Å
1145D90.4Very high86.4Confident65 Ų6562.4 Ų62.435%0.34834%0.336SS..EExtended strand (participates in β ladder)trans-108.6147.1-174.1-61.6-35.4000111.7K1130 Y1131 S1132K1130-D1145 VanDerWaalsContact CE-CB 3.47Å; K1130-D1145 WeakPolarHBondContact CE-OD1 3.45Å; K1130-D1145 WeakPolarHBondContact CE-OD2 3.14Å; K1130-D1145 IonicContact NZ-OD1 3.05Å; K1130-D1145 PolarHBondContact NZ-OD1 3.42Å; K1130-D1145 IonicContact NZ-OD2 3.04Å; K1130-D1145 PolarHBondContact NZ-OD2 2.86Å; Y1131-D1145 CarbonylContact O-C 3.51Å; Y1131-D1145 WeakPolarHBondContact O-CA 3.45Å; S1132-D1145 WeakPolarHBondContact CB-OD1 3.33Å; S1132-D1145 PolarHBondContact OG-OD1 2.64Å
1146V90.1Very high85.5Confident2 Ų271.7 Ų71.71%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-139138.6167.7560000109.9L1066 P1067 V1070 L1080 Y1131L1066-V1146 HydrophobicContact CB-CB 3.84Å; L1066-V1146 HydrophobicContact CB-CG1 4.16Å; L1066-V1146 HydrophobicContact CB-CG2 4.47Å; L1066-V1146 HydrophobicContact CD1-CB 4.11Å; L1066-V1146 HydrophobicContact CD1-CG1 3.51Å; L1066-V1146 HydrophobicContact CG-CG1 4.36Å; P1067-V1146 WeakPolarHBondContact O-CB 3.42Å; P1067-V1146 WeakPolarHBondContact O-CG2 3.46Å; V1070-V1146 HydrophobicContact CB-CG2 4.18Å; V1070-V1146 HydrophobicContact CG2-CG2 3.73Å; L1080-V1146 HydrophobicContact CD1-CG1 3.8Å; Y1131-V1146 PolarHBondContact N-O 2.71Å; Y1131-V1146 PolarHBondContact O-N 2.86Å
1147T91.1Very high84.8Confident66 Ų6668.5 Ų68.541%0.40537%0.37SS..EExtended strand (participates in β ladder)trans-95.7119.7174.3-54.80000110.1D1068 V1069 V1070D1068-T1147 PolarHBondContact O-N 3.3Å; V1069-T1147 WeakPolarHBondContact CA-O 3.5Å; V1070-T1147 PolarHBondContact N-O 2.97Å
1148L90.9Very high84.2Confident4 Ų469.3 Ų69.32%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-89.9120.3172.9179.155.7000110.8V1070 I1072 L1078 V1123 S1128 G1129 Y1131 V1150V1070-L1148 HydrophobicContact CG1-CD1 4.21Å; I1072-L1148 HydrophobicContact CG2-CD1 3.84Å; L1078-L1148 HydrophobicContact CD2-CD1 3.5Å; L1078-L1148 HydrophobicContact CD2-CD2 3.75Å; L1078-L1148 HydrophobicContact CD2-CG 4.21Å; V1123-L1148 HydrophobicContact CG1-CD2 4.33Å; S1128-L1148 WeakPolarHBondContact CA-O 3.5Å; S1128-L1148 WeakPolarHBondContact CB-O 3.39Å; G1129-L1148 PolarHBondContact N-O 2.71Å; G1129-L1148 PolarHBondContact O-N 2.69Å; Y1131-L1148 HydrophobicContact CD2-CB 3.9Å; Y1131-L1148 HydrophobicContact CE2-CB 3.75Å; Y1131-L1148 HydrophobicContact CE2-CD2 3.72Å; Y1131-L1148 HydrophobicContact CE2-CG 4.37Å; L1148-V1150 HydrophobicContact CD2-CG2 4.45Å; L1148-V1150 HydrophobicContact CG-CG2 4.15Å
1149S88.3Confident83.6Confident36 Ų3668.1 Ų68.125%0.25239%0.392SS..EExtended strand (participates in β ladder)trans-108128.9170.9-175.40000110.4V1070 A1071 I1072V1070-S1149 PolarHBondContact O-N 2.82Å; A1071-S1149 VanDerWaalsContact CA-O 3.25Å; A1071-S1149 WeakPolarHBondContact CA-O 3.49Å; I1072-S1149 PolarHBondContact N-O 2.59Å
1150V89.1Confident83.1Confident20 Ų2069.7 Ų69.712%0.12141%0.406CS..EExtended strand (participates in β ladder)trans-112.6127.7-179.9-173.50000108.9I1072 E1074 V1123 L1148I1072-V1150 HydrophobicContact CG2-CG2 4.36Å; I1072-V1150 WeakPolarHBondContact O-CA 3.27Å; E1074-V1150 HydrophobicContact CB-CG1 4.05Å; V1123-V1150 HydrophobicContact CG1-CB 4.34Å; V1123-V1150 HydrophobicContact CG1-CG1 3.97Å; V1123-V1150 HydrophobicContact CG1-CG2 3.38Å; L1148-V1150 HydrophobicContact CD2-CG2 4.45Å; L1148-V1150 HydrophobicContact CG-CG2 4.15Å
1151Y85.2Confident82.8Confident19 Ų1969.4 Ų69.48%0.07540%0.401CS..EExtended strand (participates in β ladder)trans-121.4152.9-178.771-89.6000111.4A1071 I1072 M1073 E1074 D1155 P1157 E1163A1071-Y1151 HydrophobicContact CB-CD1 4.26Å; A1071-Y1151 HydrophobicContact CB-CE1 4.33Å; I1072-Y1151 VanDerWaalsContact C-CE1 3.41Å; I1072-Y1151 WeakPolarHBondContact O-CD1 3.48Å; I1072-Y1151 PolarHBondContact O-N 2.99Å; I1072-Y1151 VanDerWaalsContact O-N 3.08Å; M1073-Y1151 WeakPolarHBondContact CA-O 3.44Å; M1073-Y1151 HydrophobicContact CB-CE1 4.41Å; M1073-Y1151 HydrophobicContact CB-CE2 4.03Å; M1073-Y1151 HydrophobicContact CE-CE2 3.87Å; M1073-Y1151 HydrophobicContact CG-CE2 4.2Å; E1074-Y1151 PolarHBondContact N-O 3.12Å; Y1151-D1155 HydrophobicContact CD2-CB 4.45Å; Y1151-P1157 HydrophobicContact CD1-CB 4.25Å; Y1151-P1157 HydrophobicContact CE1-CB 4.09Å; Y1151-E1163 HydrophobicContact CE1-CG 4.5Å; Y1151-E1163 PolarHBondContact OH-OE1 3.06Å
1152K84.2Confident82.4Confident108 Ų10869.7 Ų69.747%0.4740%0.4SS..  trans-90.5158.8-177.1-63.5-171.9174.6177.20111.3E1074 G1154 D1155E1074-K1152 WeakPolarHBondContact OE2-CE 3.37Å; E1074-K1152 WeakPolarHBondContact OE2-CG 3.37Å; K1152-G1154 PolarHBondContact O-N 2.91Å; K1152-D1155 PolarHBondContact O-N 2.79Å
1153K75.9Confident81.9Confident190 Ų19072.1 Ų72.183%0.82641%0.412SS*.THydrogen-bonded Turntrans-60.2108.3178.3-172.1177.9-177.71790110.5M1073M1073-K1153 HydrophobicContact SD-CB 4.25Å; M1073-K1153 HydrophobicContact SD-CG 4.36Å
1154G70.8Confident81Confident77 Ų7771.4 Ų71.479%0.79440%0.404SS*.THydrogen-bonded Turntrans120-18.6-177.300000114K1152K1152-G1154 PolarHBondContact O-N 2.91Å
1155D77.8Confident79.2Confident98 Ų9875 Ų7552%0.52445%0.447SS..SBendtrans-84.7151.2175.3-62.3-29.8000111Y1151 K1152Y1151-D1155 HydrophobicContact CD2-CB 4.45Å; K1152-D1155 PolarHBondContact O-N 2.79Å
1156K71.7Confident78.7Confident196 Ų19675.5 Ų75.585%0.85245%0.452SS*.PPolyproline II helixtrans-83.7139.5172.7-69.8-174.7179.5-178.90110.1
1157P75.1Confident78.1Confident44 Ų4479.4 Ų79.429%0.28648%0.475SS..PPolyproline II helixtrans-63.6154.9172.427.5-33.7000110.8A1071 Y1151A1071-P1157 HydrophobicContact CB-CB 4.09Å; Y1151-P1157 HydrophobicContact CD1-CB 4.25Å; Y1151-P1157 HydrophobicContact CE1-CB 4.09Å
1158P75.8Confident77.4Confident45 Ų4580.1 Ų80.129%0.29248%0.479SS..PPolyproline II helixtrans-56.4138.2174.1-18.929000111.4N1160 A1161P1158-N1160 PolarHBondContact O-N 3.35Å; P1158-A1161 HydrophobicContact CB-CB 3.96Å; P1158-A1161 HydrophobicContact CG-CB 4.12Å; P1158-A1161 PolarHBondContact O-N 2.79Å; P1158-A1161 VanDerWaalsContact O-N 3.08Å
1159A71.4Confident76.6Confident117 Ų11784.6 Ų84.697%0.96751%0.506SS*.THydrogen-bonded Turntrans-62.4-19-173.100000114.7
1160N75.3Confident75.8Confident126 Ų12687.6 Ų87.667%0.67452%0.521SS*.THydrogen-bonded Turntrans-108.38.7-178.861.2-28.6000113.5P1158P1158-N1160 PolarHBondContact O-N 3.35Å
1161A77.8Confident74.9Confident19 Ų1992.1 Ų92.116%0.15755%0.548CS..SBendtrans-100.9140.9-178.200000112.2V1069 A1071 P1158 E1163V1069-A1161 HydrophobicContact CB-CB 4.23Å; V1069-A1161 HydrophobicContact CG1-CB 3.72Å; V1069-A1161 WeakPolarHBondContact O-CA 3.26Å; A1071-A1161 HydrophobicContact CB-CB 3.59Å; P1158-A1161 HydrophobicContact CB-CB 3.96Å; P1158-A1161 HydrophobicContact CG-CB 4.12Å; P1158-A1161 PolarHBondContact O-N 2.79Å; P1158-A1161 VanDerWaalsContact O-N 3.08Å; A1161-E1163 PolarHBondContact O-N 3.29Å
1162V81.6Confident74.2Confident73 Ų7397.4 Ų97.444%0.44258%0.582SS.*EExtended strand (participates in β ladder)trans-76.3112.4168.2-178.80000108P1067 V1069 V1070 A1071 M1164P1067-V1162 HydrophobicContact CB-CB 4.33Å; P1067-V1162 HydrophobicContact CB-CG2 3.85Å; P1067-V1162 HydrophobicContact CG-CB 4.47Å; P1067-V1162 HydrophobicContact CG-CG2 4.27Å; V1069-V1162 PolarHBondContact O-N 2.86Å; V1070-V1162 WeakPolarHBondContact CA-O 3.46Å; A1071-V1162 PolarHBondContact N-O 2.75Å; V1162-M1164 HydrophobicContact CG1-CE 4.42Å; V1162-M1164 HydrophobicContact CG1-SD 4.42Å; V1162-M1164 PolarHBondContact O-N 2.92Å
1163E79.3Confident73.4Confident109 Ų10996.5 Ų96.551%0.50959%0.591SS.*EExtended strand (participates in β ladder)trans-73.4116177.3-169174.8-17200110.1A1071 Y1151 A1161A1071-E1163 WeakPolarHBondContact O-CA 3.34Å; Y1151-E1163 HydrophobicContact CE1-CG 4.5Å; Y1151-E1163 PolarHBondContact OH-OE1 3.06Å; A1161-E1163 PolarHBondContact O-N 3.29Å
1164M70.1Confident73.2Confident57 Ų5788.8 Ų88.828%0.28157%0.571SS.*  trans-98.8126.4176.8-66.2-70.3-15800108.4P1067 V1070 A1071 I1072 L1078 V1162P1067-M1164 HydrophobicContact CG-CE 4.33Å; V1070-M1164 HydrophobicContact CG1-CB 4.04Å; V1070-M1164 HydrophobicContact CG1-CG 3.37Å; V1070-M1164 HydrophobicContact CG2-CE 4.18Å; A1071-M1164 PolarHBondContact O-N 3.08Å; I1072-M1164 WeakPolarHBondContact CG1-O 3.49Å; L1078-M1164 HydrophobicContact CD1-CB 3.7Å; L1078-M1164 HydrophobicContact CD1-CG 3.84Å; V1162-M1164 HydrophobicContact CG1-CE 4.42Å; V1162-M1164 HydrophobicContact CG1-SD 4.42Å; V1162-M1164 PolarHBondContact O-N 2.92Å
1165G52.1Low73.5Confident104 Ų10489.8 Ų89.8100%1.07255%0.551SS**  trans-135.70-16500000114.6K1076K1076-G1165 PolarHBondContact NZ-OXT 3.4Å

Retrieved 1,165 of 1,165 residues in 1658.1 ms (Link to these results)

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