A0A087YN94_POEFO Loading...

Cadherin 7

Cadherins are calcium-dependent cell adhesion proteins.

AlphaFold DB , UniProt , Accession A0A087YN94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 720 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
1Q74.4Confident79.9Confident157 Ų15785.5 Ų85.573%0.73448%0.48SS*.  0129.80-169.116921.400108.8T32 G33 D34Q1-T32 PolarHBondContact NE2-O 3.17Å; Q1-G33 WeakPolarHBondContact CA-O 3.31Å; Q1-D34 WeakPolarHBondContact CB-OD1 3.21Å; Q1-D34 VanDerWaalsContact CD-OD1 3.3Å; Q1-D34 WeakPolarHBondContact CG-OD1 3.47Å
2L81.2Confident80.2Confident49 Ų4987.4 Ų87.426%0.25748%0.48SS..  trans-107.8131.5170.4-71.2170.3000107.9G33 I35 A53 F70L2-G33 PolarHBondContact N-O 2.88Å; L2-G33 WeakPolarHBondContact O-CA 3.4Å; L2-I35 HydrophobicContact CD1-CD1 3.87Å; L2-I35 HydrophobicContact CG-CD1 4.34Å; L2-A53 HydrophobicContact CD1-CB 3.27Å; L2-F70 HydrophobicContact CD1-CD1 4.11Å; L2-F70 HydrophobicContact CD1-CE1 3.58Å; L2-F70 HydrophobicContact CD1-CZ 4.05Å
3H84.1Confident80.6Confident127 Ų12781.4 Ų81.459%0.58845%0.447SS*.  trans-136.6135-177.2-173.861.5000109.5D7 Y15H3-D7 IonicContact CE1-OD2 3.88Å; H3-Y15 PolarHBondContact ND1-OH 3.25Å
4S82.8Confident81.2Confident8 Ų878.5 Ų78.56%0.05643%0.428CS..  trans-93.9136.7174.7172.30000109.3V6 D7 Y15 E65S4-V6 PolarHBondContact O-N 2.61Å; S4-V6 WeakPolarHBondContact OG-CB 3.27Å; S4-V6 PolarHBondContact OG-N 2.76Å; S4-D7 WeakPolarHBondContact O-CB 3.39Å; S4-D7 PolarHBondContact O-N 3.43Å; S4-D7 VanDerWaalsContact O-N 3.09Å; S4-Y15 PolarHBondContact N-OH 3.01Å; S4-Y15 VanDerWaalsContact N-OH 3.11Å; S4-E65 WeakPolarHBondContact OG-CG 3.3Å
5D82.8Confident81.8Confident138 Ų13873.8 Ų73.874%0.73840%0.401SS*.THydrogen-bonded Turntrans-67.6-14.117361-26000113.5D7D5-D7 VanDerWaalsContact C-N 3.35Å
6V81.5Confident82.3Confident67 Ų6772.7 Ų72.741%0.40640%0.398SS..THydrogen-bonded Turntrans-77.5-22.3171.5-175.50000111.8S4 K8 V64 E65S4-V6 PolarHBondContact O-N 2.61Å; S4-V6 WeakPolarHBondContact OG-CB 3.27Å; S4-V6 PolarHBondContact OG-N 2.76Å; V6-K8 PolarHBondContact O-N 3.16Å; V6-V64 HydrophobicContact CG1-CB 4.42Å; V6-E65 WeakPolarHBondContact CG2-OE1 3.44Å
7D80.9Confident82.8Confident15 Ų1569.1 Ų69.18%0.0838%0.378CS..  trans-81.6102.2179-176.19.7000111.2H3 S4 D5 G9 V13 Y15H3-D7 IonicContact CE1-OD2 3.88Å; S4-D7 WeakPolarHBondContact O-CB 3.39Å; S4-D7 PolarHBondContact O-N 3.43Å; S4-D7 VanDerWaalsContact O-N 3.09Å; D5-D7 VanDerWaalsContact C-N 3.35Å; D7-G9 PolarHBondContact O-N 3.34Å; D7-G9 PolarHBondContact OD1-N 3.35Å; D7-V13 HydrophobicContact CB-CB 3.96Å; D7-V13 HydrophobicContact CB-CG1 4.31Å; D7-V13 HydrophobicContact CB-CG2 3.93Å; D7-Y15 VanDerWaalsContact CB-OH 3.26Å; D7-Y15 WeakPolarHBondContact CB-OH 3.3Å; D7-Y15 WeakPolarHBondContact OD2-CE2 3.16Å; D7-Y15 PolarHBondContact OD2-OH 2.76Å
8K80.5Confident83.2Confident182 Ų18267.7 Ų67.779%0.79137%0.374SS*.  trans-84.99179.3-63.8-178.2-179.2177.40113.3V6 D10V6-K8 PolarHBondContact O-N 3.16Å; K8-D10 PolarHBondContact O-N 2.7Å
9G73.8Confident83.5Confident68 Ų6866.7 Ų66.770%0.70138%0.381SS*.SBendtrans71.916.7-174.700000113.6D7 G11D7-G9 PolarHBondContact O-N 3.34Å; D7-G9 PolarHBondContact OD1-N 3.35Å; G9-G11 VanDerWaalsContact C-N 3.26Å
10D79.6Confident83.5Confident80 Ų8068.8 Ų68.843%0.42839%0.387SS..SBendtrans-87.57177.469.4-13.1000113K8 K12K8-D10 PolarHBondContact O-N 2.7Å; D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 PolarHBondContact O-N 3.47Å; D10-K12 PolarHBondContact OD1-N 3.47Å; D10-K12 VanDerWaalsContact OD2-CD 3.25Å; D10-K12 WeakPolarHBondContact OD2-CD 3.44Å; D10-K12 WeakPolarHBondContact OD2-CE 3.42Å; D10-K12 IonicContact OD2-NZ 2.72Å; D10-K12 PolarHBondContact OD2-NZ 3.08Å
11G77.8Confident83.4Confident49 Ų4966.4 Ų66.451%0.50538%0.378SS..SBendtrans71.520.7175.800000114.1G9 R58G9-G11 VanDerWaalsContact C-N 3.26Å; G11-R58 WeakPolarHBondContact O-CD 3.37Å
12K83Confident83.9Confident109 Ų10959.5 Ų59.547%0.47435%0.348SS..  trans-89.7-23.9177.4-69.6-175.7-172.8136.60114.3D10 R58D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 PolarHBondContact O-N 3.47Å; D10-K12 PolarHBondContact OD1-N 3.47Å; D10-K12 VanDerWaalsContact OD2-CD 3.25Å; D10-K12 WeakPolarHBondContact OD2-CD 3.44Å; D10-K12 WeakPolarHBondContact OD2-CE 3.42Å; D10-K12 IonicContact OD2-NZ 2.72Å; D10-K12 PolarHBondContact OD2-NZ 3.08Å; K12-R58 WeakPolarHBondContact O-CB 3.49Å; K12-R58 PolarHBondContact O-N 2.8Å
13V85.9Confident83.9Confident9 Ų962.9 Ų62.96%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-94.5143178.3-179.30000109.1D7 A55 R58 V64D7-V13 HydrophobicContact CB-CB 3.96Å; D7-V13 HydrophobicContact CB-CG1 4.31Å; D7-V13 HydrophobicContact CB-CG2 3.93Å; V13-A55 HydrophobicContact CG1-CB 3.74Å; V13-R58 PolarHBondContact O-NE 2.86Å; V13-V64 HydrophobicContact CG1-CG2 4.27Å; V13-V64 HydrophobicContact CG2-CG2 4.41Å
14K88.4Confident84Confident41 Ų4159.6 Ų59.618%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-124.5141.7162.760.7173.2163.4158.10111E30 I56 R58 N61K14-E30 VanDerWaalsContact CA-O 3.25Å; K14-E30 WeakPolarHBondContact CA-O 3.15Å; K14-E30 HydrophobicContact CB-CB 4.26Å; K14-I56 HydrophobicContact CD-CD1 3.99Å; K14-I56 HydrophobicContact CD-CG1 4.02Å; K14-I56 HydrophobicContact CG-CD1 3.95Å; K14-I56 HydrophobicContact CG-CG1 3.4Å; K14-I56 PolarHBondContact N-O 3Å; K14-I56 PolarHBondContact O-N 3.41Å; K14-R58 HydrophobicContact CB-CG 3.72Å; K14-R58 HydrophobicContact CD-CG 4.02Å; K14-R58 HydrophobicContact CG-CG 3.72Å; K14-N61 WeakPolarHBondContact CE-OD1 3.43Å; K14-N61 PolarHBondContact NZ-OD1 2.86Å
15Y89.9Confident84.3Confident8 Ų860.8 Ų60.83%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-93.2130.9177.2-59.6-83.7000110.1H3 S4 D7 I28 E30 A55H3-Y15 PolarHBondContact ND1-OH 3.25Å; S4-Y15 PolarHBondContact N-OH 3.01Å; S4-Y15 VanDerWaalsContact N-OH 3.11Å; D7-Y15 VanDerWaalsContact CB-OH 3.26Å; D7-Y15 WeakPolarHBondContact CB-OH 3.3Å; D7-Y15 WeakPolarHBondContact OD2-CE2 3.16Å; D7-Y15 PolarHBondContact OD2-OH 2.76Å; Y15-I28 WeakPolarHBondContact O-CG2 3.09Å; Y15-E30 PolarHBondContact N-O 2.86Å; Y15-A55 HydrophobicContact CD1-CB 4.2Å; Y15-A55 HydrophobicContact CE1-CB 4.12Å
16V89.9Confident84.7Confident56 Ų5654.6 Ų54.634%0.33933%0.334SS..EExtended strand (participates in β ladder)trans-122.9139177.6-175.10000109.5A53 Q54 I56V16-A53 WeakPolarHBondContact O-CA 3.02Å; V16-Q54 PolarHBondContact N-O 3.08Å; V16-Q54 PolarHBondContact O-N 3.11Å; V16-I56 HydrophobicContact CG2-CD1 3.49Å; V16-I56 VanDerWaalsContact CG2-CD1 3.49Å; V16-I56 HydrophobicContact CG2-CG1 3.96Å
17L91.8Very high85.2Confident12 Ų1253.7 Ų53.76%0.06333%0.329CS..EExtended strand (participates in β ladder)trans-111.5135.6179.2-170.868.9000110A22 F26 I28 L51 A53 F70L17-A22 HydrophobicContact CD2-CB 4.43Å; L17-A22 HydrophobicContact CG-CB 4.12Å; L17-F26 HydrophobicContact CD2-CB 3.84Å; L17-I28 HydrophobicContact CB-CB 3.98Å; L17-I28 HydrophobicContact CB-CG2 3.56Å; L17-L51 HydrophobicContact CD1-CB 4.06Å; L17-L51 HydrophobicContact CD1-CD1 4.34Å; L17-L51 HydrophobicContact CD1-CD2 4.47Å; L17-L51 HydrophobicContact CD2-CD1 4.26Å; L17-L51 HydrophobicContact CD2-CD2 4.48Å; L17-L51 HydrophobicContact CG-CD2 4.36Å; L17-A53 HydrophobicContact CD1-CB 4.3Å; L17-F70 HydrophobicContact CD1-CE1 4.12Å; L17-F70 HydrophobicContact CD1-CZ 3.73Å
18S89.3Confident85.7Confident43 Ų4354 Ų5430%0.30133%0.33SS..EExtended strand (participates in β ladder)trans-140.8163.2178.459.30000110Q52S18-Q52 PolarHBondContact N-O 2.64Å; S18-Q52 PolarHBondContact O-N 3.42Å; S18-Q52 VanDerWaalsContact O-O 3.14Å; S18-Q52 PolarHBondContact OG-O 3.23Å; S18-Q52 VanDerWaalsContact OG-O 3.09Å
19G87.9Confident86.1Confident50 Ų5048.2 Ų48.252%0.51531%0.308SS..EExtended strand (participates in β ladder)trans113.6-162-177.100000113.2G21 A22G19-G21 PolarHBondContact O-N 3.07Å; G19-A22 PolarHBondContact O-N 2.96Å
20E84Confident86.8Confident108 Ų10849.8 Ų49.851%0.50530%0.297SS..THydrogen-bonded Turntrans-72.5118-173.3-66.5-177.4170.700111.7A22 T50 L51E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 3.07Å; E20-T50 PolarHBondContact N-O 3.15Å; E20-L51 WeakPolarHBondContact O-CD2 3.28Å
21G81.8Confident87.1Confident19 Ų1950.7 Ų50.720%0.19630%0.302CS..THydrogen-bonded Turntrans78.83.2-17900000114.8G19 S24 I25 F26G19-G21 PolarHBondContact O-N 3.07Å; G21-S24 PolarHBondContact O-N 3.22Å; G21-S24 PolarHBondContact O-OG 2.54Å; G21-I25 PolarHBondContact O-N 3.19Å; G21-F26 PolarHBondContact O-N 3.07Å
22A85.3Confident87.4Confident12 Ų1250.9 Ų50.910%0.09929%0.293CS..BIsolated β-bridgetrans-61.8137.9172.100000110.3L17 G19 E20 S24 L51L17-A22 HydrophobicContact CD2-CB 4.43Å; L17-A22 HydrophobicContact CG-CB 4.12Å; G19-A22 PolarHBondContact O-N 2.96Å; E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 3.07Å; A22-S24 PolarHBondContact O-N 3.44Å; A22-L51 HydrophobicContact CB-CD2 3.97Å
23T80.8Confident87.5Confident120 Ų12045.7 Ų45.774%0.73627%0.27SS*.THydrogen-bonded Turntrans66.6-18.4-174.771.10000116.6F26T23-F26 PolarHBondContact N-O 2.65Å
24S85.8Confident87.7Confident57 Ų5747.6 Ų47.640%0.39928%0.28SS..THydrogen-bonded Turntrans-105-32.5-178.661.50000114.1G21 A22 T38 K39G21-S24 PolarHBondContact O-N 3.22Å; G21-S24 PolarHBondContact O-OG 2.54Å; A22-S24 PolarHBondContact O-N 3.44Å; S24-T38 PolarHBondContact O-OG1 2.95Å; S24-K39 VanDerWaalsContact O-CE 3.25Å; S24-K39 WeakPolarHBondContact O-CE 3.45Å
25I88.7Confident87.7Confident33 Ų3348 Ų4817%0.16928%0.284CS..THydrogen-bonded Turntrans-123.9-41179.9-58.2175.3000110.2G21 A37 T38 L41 Y49G21-I25 PolarHBondContact O-N 3.19Å; I25-A37 CarbonylContact O-C 3.57Å; I25-A37 WeakPolarHBondContact O-CA 3.35Å; I25-T38 PolarHBondContact O-N 3.35Å; I25-T38 PolarHBondContact O-OG1 2.84Å; I25-L41 HydrophobicContact CG2-CD2 3.39Å; I25-Y49 HydrophobicContact CD1-CE1 3.83Å
26F91.6Very high87.7Confident8 Ų852.3 Ų52.34%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-117.9134.6177.8-58.5-79.9000110.8L17 G21 T23 I35 H36 A37 L41 Y49 L51 V72L17-F26 HydrophobicContact CD2-CB 3.84Å; G21-F26 PolarHBondContact O-N 3.07Å; T23-F26 PolarHBondContact N-O 2.65Å; F26-I35 HydrophobicContact CB-CG2 4.26Å; F26-I35 HydrophobicContact CD1-CG2 4.33Å; F26-H36 WeakPolarHBondContact CA-O 3.38Å; F26-A37 HydrophobicContact CD1-CB 4.29Å; F26-A37 HydrophobicContact CE1-CB 4.22Å; F26-L41 HydrophobicContact CE1-CD1 3.98Å; F26-L41 HydrophobicContact CE1-CD2 4.13Å; F26-L41 HydrophobicContact CE2-CD2 4.36Å; F26-L41 HydrophobicContact CZ-CD1 3.95Å; F26-L41 HydrophobicContact CZ-CD2 3.67Å; F26-L41 HydrophobicContact CZ-CG 4.49Å; F26-Y49 AromaticContact CE2-CD1 3.91Å; F26-Y49 HydrophobicContact CE2-CD1 3.91Å; F26-Y49 AromaticContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CE1 4.29Å; F26-Y49 HydrophobicContact CE2-CE2 4.02Å; F26-Y49 AromaticContact CE2-CG 3.55Å; F26-Y49 HydrophobicContact CE2-CG 3.55Å; F26-Y49 AromaticContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CE2 4.14Å; F26-Y49 HydrophobicContact CZ-CG 4.21Å; F26-L51 HydrophobicContact CB-CD1 4.04Å; F26-L51 HydrophobicContact CD2-CD1 3.84Å; F26-L51 HydrophobicContact CG-CD1 3.93Å; F26-V72 HydrophobicContact CE1-CG1 4.08Å; F26-V72 HydrophobicContact CZ-CB 4.46Å; F26-V72 HydrophobicContact CZ-CG1 3.99Å
27T91.8Very high87.7Confident49 Ų4952.3 Ų52.330%0.30131%0.31SS..EExtended strand (participates in β ladder)trans-125.2143.5174.5510000109.4I35 H36 T38T27-I35 CarbonylContact O-C 3.52Å; T27-I35 WeakPolarHBondContact O-CA 3.27Å; T27-H36 PolarHBondContact N-O 3.35Å; T27-H36 PolarHBondContact O-N 2.77Å; T27-H36 PolarHBondContact OG1-O 2.91Å; T27-T38 HydrophobicContact CG2-CG2 3.54Å; T27-T38 WeakPolarHBondContact OG1-CG2 3.36Å
28I91.2Very high87.5Confident22 Ų2255.4 Ų55.411%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-105.3134.9173-167.4160.9000109.1Y15 L17 E30 D34 I35Y15-I28 WeakPolarHBondContact O-CG2 3.09Å; L17-I28 HydrophobicContact CB-CB 3.98Å; L17-I28 HydrophobicContact CB-CG2 3.56Å; I28-E30 PolarHBondContact O-N 3Å; I28-D34 CarbonylContact C-O 3.5Å; I28-D34 VanDerWaalsContact CA-O 3.3Å; I28-D34 WeakPolarHBondContact CA-O 3.29Å; I28-I35 HydrophobicContact CB-CG1 4.32Å; I28-I35 HydrophobicContact CD1-CG1 4Å; I28-I35 HydrophobicContact CG1-CG1 4.05Å
29D89.9Confident87.5Confident59 Ų5959.6 Ų59.632%0.31634%0.342SS..  trans-68.2118.1168.8-172.9-54.7000108.4N31 T32 G33 D34D29-N31 PolarHBondContact O-N 2.8Å; D29-N31 VanDerWaalsContact O-N 3.13Å; D29-N31 WeakPolarHBondContact OD1-CA 3.47Å; D29-N31 WeakPolarHBondContact OD1-CB 3.08Å; D29-N31 PolarHBondContact OD1-N 2.91Å; D29-T32 WeakPolarHBondContact CB-OG1 3.38Å; D29-T32 PolarHBondContact OD1-N 3.45Å; D29-G33 WeakPolarHBondContact O-CA 3.39Å; D29-G33 PolarHBondContact O-N 2.95Å; D29-D34 PolarHBondContact N-O 2.6Å
30E88.1Confident87.5Confident101 Ų10169 Ų6947%0.47236%0.362SS..THydrogen-bonded Turntrans-64.5-16.4-175.9-62.4-171.1168.100113.4K14 Y15 I28 R58K14-E30 VanDerWaalsContact CA-O 3.25Å; K14-E30 WeakPolarHBondContact CA-O 3.15Å; K14-E30 HydrophobicContact CB-CB 4.26Å; Y15-E30 PolarHBondContact N-O 2.86Å; I28-E30 PolarHBondContact O-N 3Å; E30-R58 PolarHBondContact O-NH2 2.98Å; E30-R58 VanDerWaalsContact O-NH2 3.07Å
31N85.4Confident87.8Confident100 Ų10066.9 Ų66.954%0.53535%0.354SS..THydrogen-bonded Turntrans-102.5-39.6179.7-49.5-64.7000112.6D29 R58D29-N31 PolarHBondContact O-N 2.8Å; D29-N31 VanDerWaalsContact O-N 3.13Å; D29-N31 WeakPolarHBondContact OD1-CA 3.47Å; D29-N31 WeakPolarHBondContact OD1-CB 3.08Å; D29-N31 PolarHBondContact OD1-N 2.91Å; N31-R58 PolarHBondContact OD1-NH2 2.91Å
32T85.1Confident88.2Confident52 Ų5269.8 Ų69.832%0.31937%0.365SS..THydrogen-bonded Turntrans-99.5-18.6-174.4740000113.9Q1 D29 D34Q1-T32 PolarHBondContact NE2-O 3.17Å; D29-T32 WeakPolarHBondContact CB-OG1 3.38Å; D29-T32 PolarHBondContact OD1-N 3.45Å; T32-D34 WeakPolarHBondContact CB-OD2 3.42Å; T32-D34 PolarHBondContact O-N 2.81Å; T32-D34 WeakPolarHBondContact OG1-CB 2.98Å; T32-D34 VanDerWaalsContact OG1-CG 3.31Å; T32-D34 PolarHBondContact OG1-N 3.49Å; T32-D34 PolarHBondContact OG1-OD2 2.86Å
33G85.3Confident88.5Confident0 Ų071.1 Ų71.10%037%0.368CS..  trans71.215.3-173.700000113.8Q1 L2 D29Q1-G33 WeakPolarHBondContact CA-O 3.31Å; L2-G33 PolarHBondContact N-O 2.88Å; L2-G33 WeakPolarHBondContact O-CA 3.4Å; D29-G33 WeakPolarHBondContact O-CA 3.39Å; D29-G33 PolarHBondContact O-N 2.95Å
34D89.1Confident88.9Confident49 Ų4968.2 Ų68.226%0.26235%0.345SS..  trans-76.4133.7173.8-70.3-43000111.2Q1 I28 D29 T32Q1-D34 WeakPolarHBondContact CB-OD1 3.21Å; Q1-D34 VanDerWaalsContact CD-OD1 3.3Å; Q1-D34 WeakPolarHBondContact CG-OD1 3.47Å; I28-D34 CarbonylContact C-O 3.5Å; I28-D34 VanDerWaalsContact CA-O 3.3Å; I28-D34 WeakPolarHBondContact CA-O 3.29Å; D29-D34 PolarHBondContact N-O 2.6Å; T32-D34 WeakPolarHBondContact CB-OD2 3.42Å; T32-D34 PolarHBondContact O-N 2.81Å; T32-D34 WeakPolarHBondContact OG1-CB 2.98Å; T32-D34 VanDerWaalsContact OG1-CG 3.31Å; T32-D34 PolarHBondContact OG1-N 3.49Å; T32-D34 PolarHBondContact OG1-OD2 2.86Å
35I89.4Confident89.1Confident49 Ų4969.2 Ų69.225%0.25136%0.357SS..EExtended strand (participates in β ladder)trans-99.9123.1178.3-60.4165.2000107.8L2 F26 T27 I28 F70L2-I35 HydrophobicContact CD1-CD1 3.87Å; L2-I35 HydrophobicContact CG-CD1 4.34Å; F26-I35 HydrophobicContact CB-CG2 4.26Å; F26-I35 HydrophobicContact CD1-CG2 4.33Å; T27-I35 CarbonylContact O-C 3.52Å; T27-I35 WeakPolarHBondContact O-CA 3.27Å; I28-I35 HydrophobicContact CB-CG1 4.32Å; I28-I35 HydrophobicContact CD1-CG1 4Å; I28-I35 HydrophobicContact CG1-CG1 4.05Å; I35-F70 HydrophobicContact CD1-CE1 4.33Å; I35-F70 HydrophobicContact CD1-CE2 3.76Å; I35-F70 HydrophobicContact CD1-CZ 3.41Å; I35-F70 VanDerWaalsContact CD1-CZ 3.41Å
36H89.2Confident89.1Confident100 Ų10071 Ų7146%0.46337%0.365SS..EExtended strand (participates in β ladder)trans-113.6137.6177.6-61-76000110.1F26 T27F26-H36 WeakPolarHBondContact CA-O 3.38Å; T27-H36 PolarHBondContact N-O 3.35Å; T27-H36 PolarHBondContact O-N 2.77Å; T27-H36 PolarHBondContact OG1-O 2.91Å
37A90.1Very high89Confident55 Ų5571.8 Ų71.846%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-80.5124.8165.700000109I25 F26 L41I25-A37 CarbonylContact O-C 3.57Å; I25-A37 WeakPolarHBondContact O-CA 3.35Å; F26-A37 HydrophobicContact CD1-CB 4.29Å; F26-A37 HydrophobicContact CE1-CB 4.22Å; A37-L41 HydrophobicContact CB-CD1 4.41Å; A37-L41 HydrophobicContact CB-CG 4.49Å
38T87.9Confident89Confident78 Ų7875.1 Ų75.148%0.47938%0.38SS..SBendtrans-90.3-13.1179.556.10000112.8S24 I25 T27S24-T38 PolarHBondContact O-OG1 2.95Å; I25-T38 PolarHBondContact O-N 3.35Å; I25-T38 PolarHBondContact O-OG1 2.84Å; T27-T38 HydrophobicContact CG2-CG2 3.54Å; T27-T38 WeakPolarHBondContact OG1-CG2 3.36Å
39K88.3Confident89Confident130 Ų13074.7 Ų74.757%0.56538%0.377SS*.SBendtrans-128.3161.5177.9-65-177-178.6175.90110.5S24S24-K39 VanDerWaalsContact O-CE 3.25Å; S24-K39 WeakPolarHBondContact O-CE 3.45Å
40R88.5Confident89.1Confident247 Ų24774.2 Ų74.293%0.93238%0.377SS*.  trans-64.1134.8166.1-67.1-173.5177.3-167.8-1.5108.6
41L90.8Very high89.3Confident64 Ų6469.4 Ų69.434%0.33536%0.355SS..  trans-92.7138.5176.6-56.8176.4000108.2I25 F26 A37 Y49 V74I25-L41 HydrophobicContact CG2-CD2 3.39Å; F26-L41 HydrophobicContact CE1-CD1 3.98Å; F26-L41 HydrophobicContact CE1-CD2 4.13Å; F26-L41 HydrophobicContact CE2-CD2 4.36Å; F26-L41 HydrophobicContact CZ-CD1 3.95Å; F26-L41 HydrophobicContact CZ-CD2 3.67Å; F26-L41 HydrophobicContact CZ-CG 4.49Å; A37-L41 HydrophobicContact CB-CD1 4.41Å; A37-L41 HydrophobicContact CB-CG 4.49Å; L41-Y49 HydrophobicContact CD2-CE2 4.48Å; L41-V74 HydrophobicContact CB-CG1 4.15Å; L41-V74 HydrophobicContact CB-CG2 4.5Å; L41-V74 HydrophobicContact CD1-CG2 4.31Å
42D90Very high89.6Confident80 Ų8067.3 Ų67.343%0.42834%0.341SS..  trans-125115.6178.2172.2-12.5000105.9E44 A45 Q46D42-E44 WeakPolarHBondContact OD1-CB 3.43Å; D42-E44 PolarHBondContact OD1-N 3.01Å; D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact OD1-N 3.14Å; D42-A45 VanDerWaalsContact OD1-N 3.07Å; D42-Q46 PolarHBondContact O-N 2.82Å; D42-Q46 VanDerWaalsContact O-N 3.1Å
43R90.8Very high89.8Confident41 Ų4165.2 Ų65.216%0.15533%0.33CS..THydrogen-bonded Turntrans-74-37.3-172.7-172.9-149.466.2100.95.7110.2A45 Q46 A47 V74 D76 A111 D112 D113R43-A45 PolarHBondContact O-N 2.76Å; R43-Q46 CarbonylContact O-C 3.59Å; R43-Q46 VanDerWaalsContact O-C 3.23Å; R43-Q46 PolarHBondContact O-N 3.4Å; R43-Q46 VanDerWaalsContact O-N 3.15Å; R43-A47 HydrophobicContact CG-CB 3.84Å; R43-A47 PolarHBondContact O-N 2.59Å; R43-V74 HydrophobicContact CB-CB 4.38Å; R43-V74 HydrophobicContact CB-CG1 3.95Å; R43-V74 HydrophobicContact CG-CB 4.3Å; R43-V74 HydrophobicContact CG-CG1 4.36Å; R43-D76 WeakPolarHBondContact CD-OD1 3.06Å; R43-D76 IonicContact CZ-OD1 2.86Å; R43-D76 IonicContact NE-OD1 3.66Å; R43-D76 PolarHBondContact NE-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.74Å; R43-A111 PolarHBondContact NH2-O 2.73Å; R43-D112 VanDerWaalsContact NH2-C 3.35Å; R43-D113 IonicContact NH1-OD2 3.88Å
44E91.1Very high90.1Very high58 Ų5866.7 Ų66.727%0.27134%0.337SS..THydrogen-bonded Turntrans-63.3-31.9179.7-67.755.8-118.100110.2D42 N80 A111D42-E44 WeakPolarHBondContact OD1-CB 3.43Å; D42-E44 PolarHBondContact OD1-N 3.01Å; E44-N80 WeakPolarHBondContact CG-ND2 3.09Å; E44-A111 HydrophobicContact CG-CB 4.08Å
45A89.3Confident90.1Very high78 Ų7864.7 Ų64.765%0.64533%0.327SS*.THydrogen-bonded Turntrans-74.7-49169.200000112.9D42 R43D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact OD1-N 3.14Å; D42-A45 VanDerWaalsContact OD1-N 3.07Å; R43-A45 PolarHBondContact O-N 2.76Å
46Q89.3Confident90.1Very high72 Ų7263.4 Ų63.434%0.33632%0.32SS..  trans-156.8111.7177.2-176.8165.37.200113D42 R43 Y48 Y49D42-Q46 PolarHBondContact O-N 2.82Å; D42-Q46 VanDerWaalsContact O-N 3.1Å; R43-Q46 CarbonylContact O-C 3.59Å; R43-Q46 VanDerWaalsContact O-C 3.23Å; R43-Q46 PolarHBondContact O-N 3.4Å; R43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-Y48 WeakPolarHBondContact CG-O 3.41Å; Q46-Y48 PolarHBondContact NE2-O 2.7Å; Q46-Y48 VanDerWaalsContact NE2-O 3.12Å; Q46-Y49 HydrophobicContact CB-CE1 4.3Å; Q46-Y49 HydrophobicContact CB-CE2 4.4Å; Q46-Y49 HydrophobicContact CG-CD1 4.31Å; Q46-Y49 HydrophobicContact CG-CE1 3.82Å; Q46-Y49 HydrophobicContact CG-CE2 4.17Å
47A88.5Confident90Very high23 Ų2360.4 Ų60.419%0.1931%0.308CS..SBendtrans-81-23.9-174.300000115.4R43 V74R43-A47 HydrophobicContact CG-CB 3.84Å; R43-A47 PolarHBondContact O-N 2.59Å; A47-V74 PolarHBondContact O-N 3.17Å
48Y91.3Very high89.7Confident119 Ų11961.8 Ų61.847%0.46730%0.301SS..EExtended strand (participates in β ladder)trans-135.8135.6-175.5-59.8-84.5000110.9Q46 V71 K73Q46-Y48 WeakPolarHBondContact CG-O 3.41Å; Q46-Y48 PolarHBondContact NE2-O 2.7Å; Q46-Y48 VanDerWaalsContact NE2-O 3.12Å; Y48-V71 HydrophobicContact CD1-CG1 3.87Å; Y48-V71 HydrophobicContact CG-CG1 4.48Å; Y48-K73 HydrophobicContact CD1-CB 4.22Å; Y48-K73 HydrophobicContact CD1-CG 4.17Å; Y48-K73 HydrophobicContact CE1-CB 4.1Å; Y48-K73 HydrophobicContact CE1-CD 3.86Å; Y48-K73 HydrophobicContact CE1-CG 3.64Å
49Y91.8Very high89.5Confident13 Ų1364.8 Ų64.85%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-122.3122.8171.8-63-89.1000109.5I25 F26 L41 Q46 V71 V72 V74I25-Y49 HydrophobicContact CD1-CE1 3.83Å; F26-Y49 AromaticContact CE2-CD1 3.91Å; F26-Y49 HydrophobicContact CE2-CD1 3.91Å; F26-Y49 AromaticContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CE1 4.29Å; F26-Y49 HydrophobicContact CE2-CE2 4.02Å; F26-Y49 AromaticContact CE2-CG 3.55Å; F26-Y49 HydrophobicContact CE2-CG 3.55Å; F26-Y49 AromaticContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CE2 4.14Å; F26-Y49 HydrophobicContact CZ-CG 4.21Å; L41-Y49 HydrophobicContact CD2-CE2 4.48Å; Q46-Y49 HydrophobicContact CB-CE1 4.3Å; Q46-Y49 HydrophobicContact CB-CE2 4.4Å; Q46-Y49 HydrophobicContact CG-CD1 4.31Å; Q46-Y49 HydrophobicContact CG-CE1 3.82Å; Q46-Y49 HydrophobicContact CG-CE2 4.17Å; Y49-V71 CarbonylContact O-C 3.58Å; Y49-V71 WeakPolarHBondContact O-CA 3.44Å; Y49-V72 PolarHBondContact N-O 2.7Å; Y49-V72 PolarHBondContact O-N 3.1Å; Y49-V74 HydrophobicContact CD2-CG2 4.06Å; Y49-V74 HydrophobicContact CE2-CG2 3.82Å
50T92.3Very high89.3Confident50 Ų5062.4 Ų62.431%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-93.4114.7174.3-54.50000109.1E20 E69E20-T50 PolarHBondContact N-O 3.15Å; T50-E69 HydrophobicContact CG2-CG 3.8Å; T50-E69 WeakPolarHBondContact CG2-OE1 3.38Å
51L91.6Very high89Confident0 Ų055.1 Ų55.10%029%0.288CS..EExtended strand (participates in β ladder)trans-120.8148.8-176.1-70.6173000110.7L17 E20 A22 F26 E69 F70 V72L17-L51 HydrophobicContact CD1-CB 4.06Å; L17-L51 HydrophobicContact CD1-CD1 4.34Å; L17-L51 HydrophobicContact CD1-CD2 4.47Å; L17-L51 HydrophobicContact CD2-CD1 4.26Å; L17-L51 HydrophobicContact CD2-CD2 4.48Å; L17-L51 HydrophobicContact CG-CD2 4.36Å; E20-L51 WeakPolarHBondContact O-CD2 3.28Å; A22-L51 HydrophobicContact CB-CD2 3.97Å; F26-L51 HydrophobicContact CB-CD1 4.04Å; F26-L51 HydrophobicContact CD2-CD1 3.84Å; F26-L51 HydrophobicContact CG-CD1 3.93Å; L51-E69 WeakPolarHBondContact O-CA 3.27Å; L51-F70 HydrophobicContact CB-CD2 4.4Å; L51-F70 HydrophobicContact CB-CE1 4.02Å; L51-F70 HydrophobicContact CB-CE2 3.8Å; L51-F70 HydrophobicContact CB-CZ 3.58Å; L51-F70 HydrophobicContact CD1-CE2 4.04Å; L51-F70 HydrophobicContact CD1-CZ 4.17Å; L51-F70 PolarHBondContact N-O 3.11Å; L51-F70 PolarHBondContact O-N 2.99Å; L51-F70 VanDerWaalsContact O-O 3.08Å; L51-V72 HydrophobicContact CD1-CG2 3.86Å
52Q91.9Very high88.7Confident55 Ų5557.4 Ų57.426%0.25730%0.3SS..EExtended strand (participates in β ladder)trans-123.6122.8176.6-64.9-176.61.800109.5S18 S68 E69S18-Q52 PolarHBondContact N-O 2.64Å; S18-Q52 PolarHBondContact O-N 3.42Å; S18-Q52 VanDerWaalsContact O-O 3.14Å; S18-Q52 PolarHBondContact OG-O 3.23Å; S18-Q52 VanDerWaalsContact OG-O 3.09Å; Q52-S68 VanDerWaalsContact CA-O 3.31Å; Q52-S68 WeakPolarHBondContact CA-O 3.35Å; Q52-E69 HydrophobicContact CG-CB 4.1Å; Q52-E69 HydrophobicContact CG-CG 4.16Å; Q52-E69 PolarHBondContact NE2-OE1 3.5Å
53A90.3Very high88.5Confident9 Ų957 Ų577%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-107.6147174.500000111L2 V16 L17 S68 F70L2-A53 HydrophobicContact CD1-CB 3.27Å; V16-A53 WeakPolarHBondContact O-CA 3.02Å; L17-A53 HydrophobicContact CD1-CB 4.3Å; A53-S68 PolarHBondContact N-O 3.42Å; A53-S68 PolarHBondContact O-N 3.12Å; A53-F70 HydrophobicContact CB-CE1 3.81Å
54Q90.4Very high88.4Confident31 Ų3157.4 Ų57.415%0.14531%0.309CS..EExtended strand (participates in β ladder)trans-142.1134.1177-168161.138.500110.3V16 I56 P63 E65 R67V16-Q54 PolarHBondContact N-O 3.08Å; V16-Q54 PolarHBondContact O-N 3.11Å; Q54-I56 HydrophobicContact CG-CG2 4.02Å; Q54-P63 HydrophobicContact CG-CB 4.28Å; Q54-P63 VanDerWaalsContact NE2-CB 3.29Å; Q54-E65 PolarHBondContact NE2-O 2.97Å; Q54-E65 VanDerWaalsContact NE2-O 3.08Å; Q54-R67 HydrophobicContact CB-CG 4.22Å; Q54-R67 HydrophobicContact CG-CG 4.26Å
55A90.4Very high88.2Confident7 Ų757.8 Ų57.86%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-85.1127.8167.600000108.8V13 Y15 V64 E65V13-A55 HydrophobicContact CG1-CB 3.74Å; Y15-A55 HydrophobicContact CD1-CB 4.2Å; Y15-A55 HydrophobicContact CE1-CB 4.12Å; A55-V64 HydrophobicContact CB-CG2 3.64Å; A55-V64 VanDerWaalsContact O-CG2 3.26Å; A55-V64 WeakPolarHBondContact O-CG2 3.17Å; A55-V64 PolarHBondContact O-N 2.9Å; A55-E65 HydrophobicContact CB-CB 4.33Å; A55-E65 HydrophobicContact CB-CG 4.45Å
56I89.1Confident88.1Confident21 Ų2158.8 Ų58.811%0.10831%0.311CS..EExtended strand (participates in β ladder)trans-127.6148.3178.667.6177000110.2K14 V16 Q54 L62K14-I56 HydrophobicContact CD-CD1 3.99Å; K14-I56 HydrophobicContact CD-CG1 4.02Å; K14-I56 HydrophobicContact CG-CD1 3.95Å; K14-I56 HydrophobicContact CG-CG1 3.4Å; K14-I56 PolarHBondContact N-O 3Å; K14-I56 PolarHBondContact O-N 3.41Å; V16-I56 HydrophobicContact CG2-CD1 3.49Å; V16-I56 VanDerWaalsContact CG2-CD1 3.49Å; V16-I56 HydrophobicContact CG2-CG1 3.96Å; Q54-I56 HydrophobicContact CG-CG2 4.02Å; I56-L62 WeakPolarHBondContact CA-O 3.49Å
57D87.2Confident88.1Confident38 Ų3862.9 Ų62.920%0.20332%0.323CS..EExtended strand (participates in β ladder)trans-73.4131.7175.7177.9-63.8000110I59 T60 N61 L62 V64D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 WeakPolarHBondContact OD1-CA 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.3Å; D57-I59 PolarHBondContact OD1-N 3.03Å; D57-T60 WeakPolarHBondContact CB-OG1 3.42Å; D57-T60 PolarHBondContact OD1-N 2.85Å; D57-T60 PolarHBondContact OD1-OG1 2.79Å; D57-N61 WeakPolarHBondContact O-CA 3.14Å; D57-N61 PolarHBondContact O-N 3.05Å; D57-L62 PolarHBondContact N-O 2.89Å; D57-V64 HydrophobicContact CB-CG1 3.78Å
58R83.8Confident88.1Confident83 Ų8364.8 Ų64.831%0.31334%0.335SS..THydrogen-bonded Turntrans-67.6-27.2-175.9-79.8171-179.7-103.3-8.1114.1G11 K12 V13 K14 E30 N31G11-R58 WeakPolarHBondContact O-CD 3.37Å; K12-R58 WeakPolarHBondContact O-CB 3.49Å; K12-R58 PolarHBondContact O-N 2.8Å; V13-R58 PolarHBondContact O-NE 2.86Å; K14-R58 HydrophobicContact CB-CG 3.72Å; K14-R58 HydrophobicContact CD-CG 4.02Å; K14-R58 HydrophobicContact CG-CG 3.72Å; E30-R58 PolarHBondContact O-NH2 2.98Å; E30-R58 VanDerWaalsContact O-NH2 3.07Å; N31-R58 PolarHBondContact OD1-NH2 2.91Å
59I82.2Confident88.1Confident142 Ų14264.9 Ų64.973%0.72834%0.34SS*.THydrogen-bonded Turntrans-86.6-46.3-177.3-58.3176.9000109.8D57D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 WeakPolarHBondContact OD1-CA 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.3Å; D57-I59 PolarHBondContact OD1-N 3.03Å
60T83.9Confident87.9Confident79 Ų7966.4 Ų66.449%0.48535%0.347SS..THydrogen-bonded Turntrans-92.5-15.9-17563.50000113.6D57 L62D57-T60 WeakPolarHBondContact CB-OG1 3.42Å; D57-T60 PolarHBondContact OD1-N 2.85Å; D57-T60 PolarHBondContact OD1-OG1 2.79Å; T60-L62 PolarHBondContact O-N 2.9Å; T60-L62 VanDerWaalsContact O-N 3.1Å; T60-L62 PolarHBondContact OG1-N 2.92Å
61N82.4Confident87.9Confident94 Ų9468 Ų6850%0.50336%0.356SS..  trans53.518.5-170-75-53.4000113.9K14 D57K14-N61 WeakPolarHBondContact CE-OD1 3.43Å; K14-N61 PolarHBondContact NZ-OD1 2.86Å; D57-N61 WeakPolarHBondContact O-CA 3.14Å; D57-N61 PolarHBondContact O-N 3.05Å
62L85.8Confident87.8Confident112 Ų11269.8 Ų69.859%0.58637%0.367SS*.  trans-90.6146176.2-67.6173.4000110.2I56 D57 T60 V64I56-L62 WeakPolarHBondContact CA-O 3.49Å; D57-L62 PolarHBondContact N-O 2.89Å; T60-L62 PolarHBondContact O-N 2.9Å; T60-L62 VanDerWaalsContact O-N 3.1Å; T60-L62 PolarHBondContact OG1-N 2.92Å; L62-V64 PolarHBondContact O-N 3.18Å
63P86.1Confident87.7Confident73 Ų7373.2 Ų73.247%0.47438%0.381SS..BIsolated β-bridgetrans-58.2130.1172.6-24.935.4000112.7Q54Q54-P63 HydrophobicContact CG-CB 4.28Å; Q54-P63 VanDerWaalsContact NE2-CB 3.29Å
64V87.8Confident87.7Confident48 Ų4873.6 Ų73.629%0.29138%0.382SS..SBendtrans-93.3-21.4169.8-65.40000111.7V6 V13 A55 D57 L62V6-V64 HydrophobicContact CG1-CB 4.42Å; V13-V64 HydrophobicContact CG1-CG2 4.27Å; V13-V64 HydrophobicContact CG2-CG2 4.41Å; A55-V64 HydrophobicContact CB-CG2 3.64Å; A55-V64 VanDerWaalsContact O-CG2 3.26Å; A55-V64 WeakPolarHBondContact O-CG2 3.17Å; A55-V64 PolarHBondContact O-N 2.9Å; D57-V64 HydrophobicContact CB-CG1 3.78Å; L62-V64 PolarHBondContact O-N 3.18Å
65E87Confident87.6Confident66 Ų6678.5 Ų78.531%0.30841%0.406SS..SBendtrans-132.7155176.9-73.3-62.4151.100111.2S4 V6 Q54 A55S4-E65 WeakPolarHBondContact OG-CG 3.3Å; V6-E65 WeakPolarHBondContact CG2-OE1 3.44Å; Q54-E65 PolarHBondContact NE2-O 2.97Å; Q54-E65 VanDerWaalsContact NE2-O 3.08Å; A55-E65 HydrophobicContact CB-CB 4.33Å; A55-E65 HydrophobicContact CB-CG 4.45Å
66P86.9Confident87.4Confident99 Ų9978.6 Ų78.664%0.64341%0.405SS*.PPolyproline II helixtrans-64.6160.217030-31.5000110.5S68P66-S68 PolarHBondContact O-N 3.43Å
67R89Confident87.4Confident158 Ų15883 Ų8360%0.59643%0.427SS*.PPolyproline II helixtrans-65.8132.2177.1-66.2-174.3178.4171.50.7110Q54Q54-R67 HydrophobicContact CB-CG 4.22Å; Q54-R67 HydrophobicContact CG-CG 4.26Å
68S88.7Confident87.4Confident63 Ų6382.7 Ų82.744%0.44143%0.426SS..EExtended strand (participates in β ladder)trans-102.3119.4172.1-173.70000109Q52 A53 P66Q52-S68 VanDerWaalsContact CA-O 3.31Å; Q52-S68 WeakPolarHBondContact CA-O 3.35Å; A53-S68 PolarHBondContact N-O 3.42Å; A53-S68 PolarHBondContact O-N 3.12Å; P66-S68 PolarHBondContact O-N 3.43Å
69E91.2Very high87.6Confident121 Ų12182.8 Ų82.857%0.56543%0.433SS*.EExtended strand (participates in β ladder)trans-93132.7175.2-176166.6-111.600110.2T50 L51 Q52T50-E69 HydrophobicContact CG2-CG 3.8Å; T50-E69 WeakPolarHBondContact CG2-OE1 3.38Å; L51-E69 WeakPolarHBondContact O-CA 3.27Å; Q52-E69 HydrophobicContact CG-CB 4.1Å; Q52-E69 HydrophobicContact CG-CG 4.16Å; Q52-E69 PolarHBondContact NE2-OE1 3.5Å
70F88.7Confident88.1Confident46 Ų4678 Ų7820%0.20241%0.409CS..EExtended strand (participates in β ladder)trans-143.4153.1176.262.7-83.4000110.2L2 L17 I35 L51 A53 V72L2-F70 HydrophobicContact CD1-CD1 4.11Å; L2-F70 HydrophobicContact CD1-CE1 3.58Å; L2-F70 HydrophobicContact CD1-CZ 4.05Å; L17-F70 HydrophobicContact CD1-CE1 4.12Å; L17-F70 HydrophobicContact CD1-CZ 3.73Å; I35-F70 HydrophobicContact CD1-CE1 4.33Å; I35-F70 HydrophobicContact CD1-CE2 3.76Å; I35-F70 HydrophobicContact CD1-CZ 3.41Å; I35-F70 VanDerWaalsContact CD1-CZ 3.41Å; L51-F70 HydrophobicContact CB-CD2 4.4Å; L51-F70 HydrophobicContact CB-CE1 4.02Å; L51-F70 HydrophobicContact CB-CE2 3.8Å; L51-F70 HydrophobicContact CB-CZ 3.58Å; L51-F70 HydrophobicContact CD1-CE2 4.04Å; L51-F70 HydrophobicContact CD1-CZ 4.17Å; L51-F70 PolarHBondContact N-O 3.11Å; L51-F70 PolarHBondContact O-N 2.99Å; L51-F70 VanDerWaalsContact O-O 3.08Å; A53-F70 HydrophobicContact CB-CE1 3.81Å; F70-V72 HydrophobicContact CD2-CG2 4.1Å; F70-V72 HydrophobicContact CE2-CG2 3.8Å
71V90.9Very high88.4Confident83 Ų8378.8 Ų78.850%0.50341%0.407SS..EExtended strand (participates in β ladder)trans-107.1123.4178.4-179.70000108.7Y48 Y49 K73Y48-V71 HydrophobicContact CD1-CG1 3.87Å; Y48-V71 HydrophobicContact CG-CG1 4.48Å; Y49-V71 CarbonylContact O-C 3.58Å; Y49-V71 WeakPolarHBondContact O-CA 3.44Å; V71-K73 PolarHBondContact O-N 3.39Å
72V89.9Confident89Confident37 Ų3774.4 Ų74.422%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-83.6110.4167-178.70000107.3F26 Y49 L51 F70F26-V72 HydrophobicContact CE1-CG1 4.08Å; F26-V72 HydrophobicContact CZ-CB 4.46Å; F26-V72 HydrophobicContact CZ-CG1 3.99Å; Y49-V72 PolarHBondContact N-O 2.7Å; Y49-V72 PolarHBondContact O-N 3.1Å; L51-V72 HydrophobicContact CD1-CG2 3.86Å; F70-V72 HydrophobicContact CD2-CG2 4.1Å; F70-V72 HydrophobicContact CE2-CG2 3.8Å
73K89.3Confident89.3Confident127 Ų12774.6 Ų74.655%0.55238%0.379SS*.EExtended strand (participates in β ladder)trans-89115.2172-178.5174.5-175.6176.70109.1Y48 V71Y48-K73 HydrophobicContact CD1-CB 4.22Å; Y48-K73 HydrophobicContact CD1-CG 4.17Å; Y48-K73 HydrophobicContact CE1-CB 4.1Å; Y48-K73 HydrophobicContact CE1-CD 3.86Å; Y48-K73 HydrophobicContact CE1-CG 3.64Å; V71-K73 PolarHBondContact O-N 3.39Å
74V90.6Very high89.5Confident17 Ų1772.5 Ų72.510%0.10336%0.363CS..PPolyproline II helixtrans-74129.3172.7-172.70000108.1L41 R43 A47 Y49L41-V74 HydrophobicContact CB-CG1 4.15Å; L41-V74 HydrophobicContact CB-CG2 4.5Å; L41-V74 HydrophobicContact CD1-CG2 4.31Å; R43-V74 HydrophobicContact CB-CB 4.38Å; R43-V74 HydrophobicContact CB-CG1 3.95Å; R43-V74 HydrophobicContact CG-CB 4.3Å; R43-V74 HydrophobicContact CG-CG1 4.36Å; A47-V74 PolarHBondContact O-N 3.17Å; Y49-V74 HydrophobicContact CD2-CG2 4.06Å; Y49-V74 HydrophobicContact CE2-CG2 3.82Å
75Q87.9Confident89.3Confident135 Ų13576 Ų7663%0.63138%0.379SS*.PPolyproline II helixtrans-83.7136.9175.2-70.3-175.6-14.700109.6Y116Q75-Y116 PolarHBondContact OE1-OH 2.81Å
76D87.4Confident89.2Confident8 Ų878.5 Ų78.54%0.04340%0.395CS..PPolyproline II helixtrans-67.5142.3175.8-172.373.1000111.2R43 D113 Y116 S119R43-D76 WeakPolarHBondContact CD-OD1 3.06Å; R43-D76 IonicContact CZ-OD1 2.86Å; R43-D76 IonicContact NE-OD1 3.66Å; R43-D76 PolarHBondContact NE-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.74Å; D76-D113 HydrophobicContact CB-CB 3.83Å; D76-D113 PolarHBondContact OD1-N 2.93Å; D76-D113 PolarHBondContact OD2-N 2.76Å; D76-Y116 HydrophobicContact CB-CD1 3.93Å; D76-Y116 HydrophobicContact CB-CG 4.21Å; D76-Y116 WeakPolarHBondContact O-CD1 3.46Å; D76-Y116 WeakPolarHBondContact O-CE1 3.4Å; D76-S119 VanDerWaalsContact OD2-CB 3.26Å; D76-S119 WeakPolarHBondContact OD2-CB 3.37Å; D76-S119 PolarHBondContact OD2-OG 3.45Å
77I88.1Confident89Confident113 Ų11375.4 Ų75.458%0.57938%0.381SS*.  trans-127.1152.7166.861.1169.4000107.4D79I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 HydrophobicContact CD1-CB 4.18Å; I77-D79 HydrophobicContact CG1-CB 4.13Å; I77-D79 PolarHBondContact O-N 3.03Å
78N88Confident89.2Confident32 Ų3272.6 Ų72.617%0.17138%0.383CS..SBendtrans-81.776.4-178.1-167.696.7000111.2D112 S119 D165 M166N78-D112 VanDerWaalsContact CA-OD2 3.26Å; N78-D112 WeakPolarHBondContact CA-OD2 3.42Å; N78-S119 VanDerWaalsContact OD1-CA 3.26Å; N78-S119 WeakPolarHBondContact OD1-CA 3.25Å; N78-S119 WeakPolarHBondContact OD1-CB 3.4Å; N78-S119 PolarHBondContact OD1-O 2.96Å; N78-D165 PolarHBondContact ND2-OD2 2.8Å; N78-D165 PolarHBondContact OD1-OD2 2.86Å; N78-M166 HydrophobicContact CB-CE 3.35Å
79D88.9Confident89.4Confident86 Ų8670.5 Ų70.546%0.4637%0.365SS..  trans-113.5-1.3-177.170.1-21.9000114.3I77 D112I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 HydrophobicContact CD1-CB 4.18Å; I77-D79 HydrophobicContact CG1-CB 4.13Å; I77-D79 PolarHBondContact O-N 3.03Å; D79-D112 PolarHBondContact N-OD2 2.86Å
80N90.9Very high89.6Confident41 Ų4171.7 Ų71.722%0.21938%0.375CS..  trans-108.6137.8169.7-64.5-87.6000111.5E44 A111 D112E44-N80 WeakPolarHBondContact CG-ND2 3.09Å; N80-A111 HydrophobicContact CB-CB 4Å; N80-D112 VanDerWaalsContact CB-OD1 3.26Å; N80-D112 WeakPolarHBondContact CB-OD1 3.49Å; N80-D112 PolarHBondContact N-OD1 2.79Å; N80-D112 PolarHBondContact N-OD2 2.92Å; N80-D112 PolarHBondContact ND2-OD1 3.48Å
81E91.7Very high89.8Confident96 Ų9670 Ų7045%0.44937%0.37SS..  trans-90.9151.6173.368.4-176.1-179.300111.4K83 L173E81-K83 PolarHBondContact O-N 3.49Å; E81-L173 HydrophobicContact CB-CB 3.74Å; E81-L173 HydrophobicContact CB-CD1 4.31Å
82P93.4Very high90Very high1 Ų168.3 Ų68.31%0.00637%0.369CS..  trans-60.5132.6173.9-2533.7000112.1A108 D110 V122 A163 D165 G175P82-A108 HydrophobicContact CB-CB 4.19Å; P82-D110 VanDerWaalsContact CD-OD2 3.26Å; P82-D110 WeakPolarHBondContact CD-OD2 3.49Å; P82-D110 WeakPolarHBondContact CG-OD2 3.45Å; P82-V122 HydrophobicContact CB-CG1 4.23Å; P82-V122 HydrophobicContact CB-CG2 3.94Å; P82-V122 HydrophobicContact CG-CG1 4.32Å; P82-V122 HydrophobicContact CG-CG2 3.82Å; P82-A163 HydrophobicContact CB-CB 3.79Å; P82-D165 HydrophobicContact CG-CB 3.75Å; P82-G175 VanDerWaalsContact O-CA 3.3Å; P82-G175 WeakPolarHBondContact O-CA 3.38Å
83K92.2Very high90.2Very high116 Ų11666.8 Ų66.850%0.50436%0.36SS..EExtended strand (participates in β ladder)trans-119.9128.3179.6-70173.9-173.8168.10111.9E81 A108 T109E81-K83 PolarHBondContact O-N 3.49Å; K83-A108 CarbonylContact O-C 3.54Å; K83-A108 WeakPolarHBondContact O-CA 3.44Å; K83-T109 PolarHBondContact N-O 3.03Å; K83-T109 PolarHBondContact O-N 2.85Å
84F91.9Very high90.4Very high30 Ų3063.6 Ų63.613%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-77.5125.9171.5-67.6-87.9000109.8Y89 V106 A108 Y124 I161 A163 T177F84-Y89 HydrophobicContact CB-CE2 4.47Å; F84-Y89 HydrophobicContact CD1-CE2 4.13Å; F84-V106 HydrophobicContact CE1-CB 4.42Å; F84-A108 HydrophobicContact CD1-CB 3.84Å; F84-A108 HydrophobicContact CD2-CB 4.2Å; F84-A108 HydrophobicContact CE1-CB 3.89Å; F84-A108 HydrophobicContact CE2-CB 4.24Å; F84-A108 HydrophobicContact CG-CB 4.02Å; F84-A108 HydrophobicContact CZ-CB 4.1Å; F84-Y124 HydrophobicContact CE1-CD1 4.12Å; F84-Y124 AromaticContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CZ-CD1 4.18Å; F84-Y124 HydrophobicContact CZ-CE1 4.09Å; F84-I161 HydrophobicContact CE1-CG2 4.48Å; F84-I161 HydrophobicContact CZ-CG2 4.13Å; F84-A163 HydrophobicContact CE1-CB 4.3Å; F84-A163 HydrophobicContact CE2-CB 3.57Å; F84-A163 HydrophobicContact CZ-CB 3.43Å; F84-A163 VanDerWaalsContact CZ-CB 3.43Å; F84-T177 HydrophobicContact CB-CG2 4.36Å; F84-T177 HydrophobicContact CD1-CG2 3.54Å; F84-T177 HydrophobicContact CD2-CG2 3.73Å; F84-T177 HydrophobicContact CE1-CG2 3.57Å; F84-T177 HydrophobicContact CE2-CG2 3.76Å; F84-T177 HydrophobicContact CG-CG2 3.61Å; F84-T177 HydrophobicContact CZ-CG2 3.67Å
85L82.1Confident90.4Very high121 Ų12163 Ų6363%0.63435%0.348SS*.SBendtrans-81.7-35.7-175.2-63.3175.1000112.7T109L85-T109 HydrophobicContact CD1-CG2 3.84Å; L85-T109 HydrophobicContact CG-CG2 4.42Å
86D85.8Confident90.3Very high119 Ų11960.3 Ų60.364%0.63634%0.336SS*.SBendtrans-111.915.5-171.6-50.8-55.6000113.1Y89D86-Y89 HydrophobicContact CB-CE1 3.65Å
87G83.3Confident90.5Very high34 Ų3460.8 Ų60.835%0.35134%0.341SS..PPolyproline II helixtrans-81.7148.5179.500000113T177G87-T177 WeakPolarHBondContact CA-OG1 3.36Å
88P91.9Very high90.6Very high98 Ų9859.9 Ų59.964%0.63634%0.342SS*.SBendcis-76149.80.431.6-36000113.6S178P88-S178 WeakPolarHBondContact CB-OG 3.43Å
89Y93.1Very high90.8Very high19 Ų1963.6 Ų63.68%0.07536%0.361CS..EExtended strand (participates in β ladder)trans-99.2142.6-175.4-62.2-93.1000112.5F84 D86 V104 V106 A107 T177 S178 V179 T180F84-Y89 HydrophobicContact CB-CE2 4.47Å; F84-Y89 HydrophobicContact CD1-CE2 4.13Å; D86-Y89 HydrophobicContact CB-CE1 3.65Å; Y89-V104 HydrophobicContact CD1-CG2 4.4Å; Y89-V106 HydrophobicContact CD1-CG1 4.15Å; Y89-V106 HydrophobicContact CD2-CG1 3.83Å; Y89-V106 HydrophobicContact CE1-CG1 4.3Å; Y89-V106 HydrophobicContact CE2-CB 4.22Å; Y89-V106 HydrophobicContact CE2-CG1 4.01Å; Y89-V106 HydrophobicContact CG-CG1 3.93Å; Y89-A107 PolarHBondContact OH-O 3Å; Y89-T177 HydrophobicContact CD2-CG2 4.01Å; Y89-T177 HydrophobicContact CE2-CG2 3.89Å; Y89-S178 PolarHBondContact N-O 2.99Å; Y89-V179 HydrophobicContact CD2-CG2 4.25Å; Y89-V179 HydrophobicContact CG-CG2 4.49Å; Y89-V179 WeakPolarHBondContact O-CA 3.35Å; Y89-T180 PolarHBondContact O-N 3.45Å
90L94.8Very high90.9Very high147 Ų14761.6 Ų61.677%0.7736%0.361SS*.EExtended strand (participates in β ladder)trans-117131.1170.9-65172000109T180L90-T180 HydrophobicContact CD2-CG2 4.43Å
91A93.8Very high91Very high11 Ų1161.5 Ų61.59%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-138.5141.9179.900000111.2V103 V104 T180 V181 T182A91-V103 HydrophobicContact CB-CG1 3.69Å; A91-V104 HydrophobicContact CB-CB 3.82Å; A91-V104 HydrophobicContact CB-CG1 4.02Å; A91-V104 HydrophobicContact CB-CG2 4.46Å; A91-T180 PolarHBondContact N-O 3.12Å; A91-V181 CarbonylContact O-C 3.55Å; A91-V181 WeakPolarHBondContact O-CA 3.3Å; A91-T182 PolarHBondContact O-N 3.32Å; A91-T182 PolarHBondContact O-OG1 2.86Å
92G94.4Very high91.1Very high47 Ų4762.9 Ų62.949%0.48537%0.37SS..EExtended strand (participates in β ladder)trans-110.8136.2172.600000110.3T182G92-T182 VanDerWaalsContact CA-O 3.31Å; G92-T182 WeakPolarHBondContact CA-O 3.23Å
93V94.9Very high91.2Very high4 Ų463.7 Ų63.72%0.02437%0.374CS..EExtended strand (participates in β ladder)trans-140.2137.4172.467.90000109.8E95 T101 V103 I144 V181 T182 L183 T184V93-E95 PolarHBondContact O-N 3.42Å; V93-T101 HydrophobicContact CG2-CG2 4.24Å; V93-V103 HydrophobicContact CB-CG2 4.44Å; V93-V103 HydrophobicContact CG1-CG2 4.49Å; V93-V103 HydrophobicContact CG2-CG2 4.41Å; V93-I144 HydrophobicContact CG2-CD1 3.95Å; V93-V181 HydrophobicContact CG1-CG1 3.76Å; V93-T182 PolarHBondContact N-O 3.2Å; V93-T182 VanDerWaalsContact N-O 3.1Å; V93-L183 HydrophobicContact CG1-CD2 3.63Å; V93-L183 CarbonylContact O-C 3.59Å; V93-L183 VanDerWaalsContact O-CA 3.27Å; V93-L183 WeakPolarHBondContact O-CA 3.3Å; V93-T184 PolarHBondContact O-N 3.09Å
94P92.7Very high91.2Very high61 Ų6159.4 Ų59.440%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-57.9139.5173.4-23.433.7000111.3S97 T184 V186P94-S97 VanDerWaalsContact O-CB 3.24Å; P94-S97 WeakPolarHBondContact O-CB 3.34Å; P94-S97 PolarHBondContact O-OG 2.77Å; P94-T184 WeakPolarHBondContact CA-O 3.1Å; P94-T184 WeakPolarHBondContact CA-OG1 3.24Å; P94-V186 HydrophobicContact CB-CG2 3.94Å
95E91.8Very high91.2Very high3 Ų363.8 Ų63.81%0.01438%0.379CS..THydrogen-bonded Turntrans-60.9164.6166.774.1-170.2115.100111.6V93 S97 D150 R151 L183 T184 D185 V186V93-E95 PolarHBondContact O-N 3.42Å; E95-S97 PolarHBondContact O-N 3.01Å; E95-D150 WeakPolarHBondContact OE2-CA 3.45Å; E95-R151 HydrophobicContact CB-CB 4.4Å; E95-R151 WeakPolarHBondContact OE1-CB 3.22Å; E95-R151 VanDerWaalsContact OE2-CB 3.3Å; E95-R151 WeakPolarHBondContact OE2-CB 3.17Å; E95-R151 PolarHBondContact OE2-N 3.07Å; E95-L183 HydrophobicContact CB-CD1 4.2Å; E95-T184 PolarHBondContact N-O 2.96Å; E95-T184 VanDerWaalsContact N-O 3.1Å; E95-D185 WeakPolarHBondContact OE1-CA 3.3Å; E95-V186 HydrophobicContact CG-CB 3.77Å; E95-V186 HydrophobicContact CG-CG2 3.83Å; E95-V186 PolarHBondContact OE1-N 2.81Å
96M86.1Confident91.5Very high79 Ų7958 Ų5839%0.38935%0.349SS..THydrogen-bonded Turntrans52.913.3-173.8-55.9-174.777.500115.4M149 D188 F283M96-M149 PolarHBondContact N-O 3.2Å; M96-D188 HydrophobicContact SD-CB 3.97Å; M96-F283 HydrophobicContact CE-CE1 4.2Å; M96-F283 HydrophobicContact SD-CD1 4.21Å; M96-F283 HydrophobicContact SD-CE1 3.68Å
97S90.4Very high91.7Very high19 Ų1954.3 Ų54.313%0.13333%0.334CS..PPolyproline II helixtrans-57.4142.5179.2-80.70000111.6P94 E95P94-S97 VanDerWaalsContact O-CB 3.24Å; P94-S97 WeakPolarHBondContact O-CB 3.34Å; P94-S97 PolarHBondContact O-OG 2.77Å; E95-S97 PolarHBondContact O-N 3.01Å
98P91Very high92Very high94 Ų9453.2 Ų53.261%0.6132%0.322SS*.PPolyproline II helixtrans-65.2156.1-176.624.4-31.1000112G100 T101P98-G100 PolarHBondContact O-N 2.89Å; P98-T101 WeakPolarHBondContact CD-OG1 3.43Å; P98-T101 WeakPolarHBondContact CG-OG1 3.26Å; P98-T101 WeakPolarHBondContact O-CB 3.48Å; P98-T101 PolarHBondContact O-N 2.83Å; P98-T101 PolarHBondContact O-OG1 2.77Å
99L92.4Very high91.9Very high110 Ų11051.9 Ų51.958%0.57631%0.313SS*.THydrogen-bonded Turntrans-57.4138.1177.7-61.3179.3000111.1T101 I144 L146 P147L99-T101 VanDerWaalsContact C-N 3.31Å; L99-I144 HydrophobicContact CD2-CG2 4.34Å; L99-L146 VanDerWaalsContact CD2-C 3.49Å; L99-P147 HydrophobicContact CD2-CB 4.23Å
100G90.9Very high91.8Very high43 Ų4352.2 Ų52.244%0.44332%0.315SS..THydrogen-bonded Turntrans83-1-179.300000115.3P98 M102 I144P98-G100 PolarHBondContact O-N 2.89Å; G100-M102 PolarHBondContact O-N 2.82Å; G100-I144 PolarHBondContact N-O 2.82Å
101T93.2Very high91.6Very high40 Ų4047.8 Ų47.825%0.24530%0.3CS..  trans-55.6129.9171.5-580000109.8V93 P98 L99 K143 I144V93-T101 HydrophobicContact CG2-CG2 4.24Å; P98-T101 WeakPolarHBondContact CD-OG1 3.43Å; P98-T101 WeakPolarHBondContact CG-OG1 3.26Å; P98-T101 WeakPolarHBondContact O-CB 3.48Å; P98-T101 PolarHBondContact O-N 2.83Å; P98-T101 PolarHBondContact O-OG1 2.77Å; L99-T101 VanDerWaalsContact C-N 3.31Å; T101-K143 WeakPolarHBondContact O-CA 3.3Å; T101-I144 PolarHBondContact O-N 2.88Å
102M93.8Very high91.5Very high124 Ų12447.5 Ų47.561%0.61130%0.297SS*.EExtended strand (participates in β ladder)trans-71.8129.5175.2174171.787.300110.5G100 V141G100-M102 PolarHBondContact O-N 2.82Å; M102-V141 HydrophobicContact CB-CG1 4.03Å; M102-V141 HydrophobicContact CG-CG1 3.47Å; M102-V141 VanDerWaalsContact CG-CG1 3.47Å; M102-V141 HydrophobicContact SD-CG1 3.78Å
103V93.8Very high91Very high18 Ų1846.6 Ų46.611%0.10928%0.281CS..EExtended strand (participates in β ladder)trans-97.8-56.6177.7-179.80000110.5A91 V93 F133 L142 I144 V181A91-V103 HydrophobicContact CB-CG1 3.69Å; V93-V103 HydrophobicContact CB-CG2 4.44Å; V93-V103 HydrophobicContact CG1-CG2 4.49Å; V93-V103 HydrophobicContact CG2-CG2 4.41Å; V103-F133 HydrophobicContact CG2-CD1 4.19Å; V103-F133 HydrophobicContact CG2-CE1 4.15Å; V103-L142 HydrophobicContact CB-CB 4.48Å; V103-L142 HydrophobicContact CB-CD2 4.18Å; V103-L142 HydrophobicContact CB-CG 4.42Å; V103-L142 HydrophobicContact CG1-CD2 4.15Å; V103-L142 PolarHBondContact N-O 3.24Å; V103-I144 HydrophobicContact CG2-CG1 4.07Å; V103-V181 HydrophobicContact CG1-CG1 3.9Å; V103-V181 HydrophobicContact CG1-CG2 3.97Å
104V92.8Very high90.3Very high26 Ų2649.6 Ų49.616%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-160.6157.6-179.463.80000110.6Y89 A91 V106 L142 V179Y89-V104 HydrophobicContact CD1-CG2 4.4Å; A91-V104 HydrophobicContact CB-CB 3.82Å; A91-V104 HydrophobicContact CB-CG1 4.02Å; A91-V104 HydrophobicContact CB-CG2 4.46Å; V104-V106 HydrophobicContact CG1-CG1 4.01Å; V104-L142 HydrophobicContact CG1-CB 4.11Å; V104-L142 HydrophobicContact CG1-CD2 4.01Å; V104-L142 WeakPolarHBondContact O-CB 3.43Å; V104-L142 PolarHBondContact O-N 3.21Å; V104-V179 HydrophobicContact CG1-CG1 3.85Å
105Q91.4Very high89.6Confident122 Ų12252.2 Ų52.257%0.5732%0.316SS*.EExtended strand (participates in β ladder)trans-105.3130.6173.1-171.8177.91.500110.1V140Q105-V140 WeakPolarHBondContact CA-O 3.31Å; Q105-V140 HydrophobicContact CG-CB 4.42Å; Q105-V140 HydrophobicContact CG-CG1 4.49Å
106V89.7Confident88.7Confident0 Ų056.9 Ų56.90%033%0.334CS..  trans-127.683.6-168.1-70.50000113F84 Y89 V104 Y124 V135 V140 I161 V179F84-V106 HydrophobicContact CE1-CB 4.42Å; Y89-V106 HydrophobicContact CD1-CG1 4.15Å; Y89-V106 HydrophobicContact CD2-CG1 3.83Å; Y89-V106 HydrophobicContact CE1-CG1 4.3Å; Y89-V106 HydrophobicContact CE2-CB 4.22Å; Y89-V106 HydrophobicContact CE2-CG1 4.01Å; Y89-V106 HydrophobicContact CG-CG1 3.93Å; V104-V106 HydrophobicContact CG1-CG1 4.01Å; V106-Y124 WeakPolarHBondContact O-CE1 3.15Å; V106-V135 HydrophobicContact CG2-CG2 4.45Å; V106-V140 HydrophobicContact CG2-CG1 4.39Å; V106-V140 PolarHBondContact N-O 3.3Å; V106-V140 WeakPolarHBondContact O-CG1 3.17Å; V106-I161 HydrophobicContact CB-CD1 4.36Å; V106-I161 HydrophobicContact CG1-CD1 4.16Å; V106-I161 HydrophobicContact CG2-CD1 3.72Å; V106-I161 HydrophobicContact CG2-CG2 4.34Å; V106-V179 HydrophobicContact CG1-CG2 3.94Å
107A89.3Confident87.9Confident41 Ų4155.6 Ų55.634%0.33934%0.341SS..  trans-89132.5-173.500000113.8Y89 V140Y89-A107 PolarHBondContact OH-O 3Å; A107-V140 HydrophobicContact CB-CG1 4.17Å
108A90.3Very high87.2Confident11 Ų1157.3 Ų57.39%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-110.9145164.800000110.2P82 K83 F84 Y124 A163P82-A108 HydrophobicContact CB-CB 4.19Å; K83-A108 CarbonylContact O-C 3.54Å; K83-A108 WeakPolarHBondContact O-CA 3.44Å; F84-A108 HydrophobicContact CD1-CB 3.84Å; F84-A108 HydrophobicContact CD2-CB 4.2Å; F84-A108 HydrophobicContact CE1-CB 3.89Å; F84-A108 HydrophobicContact CE2-CB 4.24Å; F84-A108 HydrophobicContact CG-CB 4.02Å; F84-A108 HydrophobicContact CZ-CB 4.1Å; A108-Y124 HydrophobicContact CB-CE1 3.92Å; A108-Y124 PolarHBondContact N-OH 3.25Å; A108-Y124 PolarHBondContact O-OH 2.99Å; A108-Y124 VanDerWaalsContact O-OH 3.07Å; A108-A163 HydrophobicContact CB-CB 3.51Å
109T89.8Confident86.6Confident71 Ų7153 Ų5344%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-116.3138.9175.754.40000109.9K83 L85K83-T109 PolarHBondContact N-O 3.03Å; K83-T109 PolarHBondContact O-N 2.85Å; L85-T109 HydrophobicContact CD1-CG2 3.84Å; L85-T109 HydrophobicContact CG-CG2 4.42Å
110D90.8Very high86Confident25 Ų2548.7 Ų48.713%0.13430%0.301CS..  trans-113.3141174.6-161.7-59.6000108.9P82 D112 A120 V122P82-D110 VanDerWaalsContact CD-OD2 3.26Å; P82-D110 WeakPolarHBondContact CD-OD2 3.49Å; P82-D110 WeakPolarHBondContact CG-OD2 3.45Å; D110-D112 WeakPolarHBondContact OD1-CB 3.46Å; D110-D112 PolarHBondContact OD1-N 2.91Å; D110-A120 HydrophobicContact CB-CB 3.89Å; D110-V122 HydrophobicContact CB-CG2 4.02Å
111A91Very high85.8Confident54 Ų5453 Ų5345%0.44630%0.304SS..  trans-85.6-17.3-174.800000113.2R43 E44 N80R43-A111 PolarHBondContact NH2-O 2.73Å; E44-A111 HydrophobicContact CG-CB 4.08Å; N80-A111 HydrophobicContact CB-CB 4Å
112D90.2Very high85.6Confident5 Ų552.5 Ų52.53%0.02730%0.301CS..SBendtrans-69.1173.7-176-64.5-15.6000112.1R43 N78 D79 N80 D110 P114 A120R43-D112 VanDerWaalsContact NH2-C 3.35Å; N78-D112 VanDerWaalsContact CA-OD2 3.26Å; N78-D112 WeakPolarHBondContact CA-OD2 3.42Å; D79-D112 PolarHBondContact N-OD2 2.86Å; N80-D112 VanDerWaalsContact CB-OD1 3.26Å; N80-D112 WeakPolarHBondContact CB-OD1 3.49Å; N80-D112 PolarHBondContact N-OD1 2.79Å; N80-D112 PolarHBondContact N-OD2 2.92Å; N80-D112 PolarHBondContact ND2-OD1 3.48Å; D110-D112 WeakPolarHBondContact OD1-CB 3.46Å; D110-D112 PolarHBondContact OD1-N 2.91Å; D112-P114 WeakPolarHBondContact O-CD 3.31Å; D112-A120 HydrophobicContact CB-CB 4.11Å; D112-A120 WeakPolarHBondContact O-CB 3.38Å
113D85.4Confident85.4Confident29 Ų2948.6 Ų48.616%0.15528%0.283CS..  trans-79120.2178-164.8-34000111.9R43 D76 T115 Y116R43-D113 IonicContact NH1-OD2 3.88Å; D76-D113 HydrophobicContact CB-CB 3.83Å; D76-D113 PolarHBondContact OD1-N 2.93Å; D76-D113 PolarHBondContact OD2-N 2.76Å; D113-T115 PolarHBondContact O-N 3.46Å; D113-T115 WeakPolarHBondContact OD1-CB 3.48Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.87Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å; D113-Y116 PolarHBondContact O-N 2.99Å
114P78.6Confident85.3Confident67 Ų6748.4 Ų48.444%0.43528%0.281SS..THydrogen-bonded Turntrans-72.3-9.8179.829.7-36.3000114D112 A120 R121D112-P114 WeakPolarHBondContact O-CD 3.31Å; P114-A120 HydrophobicContact CB-CB 4.1Å; P114-R121 PolarHBondContact O-NE 3.18Å
115T77.9Confident85.2Confident115 Ų11549.3 Ų49.371%0.70629%0.288SS*.THydrogen-bonded Turntrans-95.9-21.2-178.669.70000113.2D113D113-T115 PolarHBondContact O-N 3.46Å; D113-T115 WeakPolarHBondContact OD1-CB 3.48Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.87Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å
116Y73Confident85.3Confident101 Ų10145.9 Ų45.940%0.39627%0.273SS..SBendtrans-102.4121.2-179.5-159-99000109.3Q75 D76 D113 N118 S119Q75-Y116 PolarHBondContact OE1-OH 2.81Å; D76-Y116 HydrophobicContact CB-CD1 3.93Å; D76-Y116 HydrophobicContact CB-CG 4.21Å; D76-Y116 WeakPolarHBondContact O-CD1 3.46Å; D76-Y116 WeakPolarHBondContact O-CE1 3.4Å; D113-Y116 PolarHBondContact O-N 2.99Å; Y116-N118 PolarHBondContact O-N 2.94Å; Y116-S119 PolarHBondContact O-N 3.48Å; Y116-S119 VanDerWaalsContact O-N 3.08Å; Y116-S119 PolarHBondContact O-OG 2.9Å; Y116-S119 VanDerWaalsContact O-OG 3.08Å
117G69.6Low85.5Confident52 Ų5250 Ų5054%0.53630%0.295SS..THydrogen-bonded Turntrans63.7-0174.800000117.4
118N77.1Confident85.6Confident56 Ų5654.3 Ų54.330%0.29931%0.307SS..THydrogen-bonded Turntrans61.822.3-163.8-51.6-69.2000114Y116 A120 R121 M166 V167Y116-N118 PolarHBondContact O-N 2.94Å; N118-A120 PolarHBondContact O-N 2.73Å; N118-R121 HydrophobicContact CB-CB 4.15Å; N118-R121 HydrophobicContact CB-CG 4.2Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.23Å; N118-R121 VanDerWaalsContact OD1-CD 3.32Å; N118-R121 WeakPolarHBondContact OD1-CD 3.41Å; N118-R121 PolarHBondContact OD1-NE 3.27Å; N118-R121 PolarHBondContact OD1-NH1 2.8Å; N118-M166 WeakPolarHBondContact O-CA 3.45Å; N118-M166 PolarHBondContact O-N 2.78Å; N118-V167 HydrophobicContact CB-CG2 3.79Å
119S77.4Confident85.5Confident4 Ų455.3 Ų55.33%0.02832%0.319CS..THydrogen-bonded Turntrans-50.1-58.6-175.4-48.40000110.6D76 N78 Y116 R121 D165 M166D76-S119 VanDerWaalsContact OD2-CB 3.26Å; D76-S119 WeakPolarHBondContact OD2-CB 3.37Å; D76-S119 PolarHBondContact OD2-OG 3.45Å; N78-S119 VanDerWaalsContact OD1-CA 3.26Å; N78-S119 WeakPolarHBondContact OD1-CA 3.25Å; N78-S119 WeakPolarHBondContact OD1-CB 3.4Å; N78-S119 PolarHBondContact OD1-O 2.96Å; Y116-S119 PolarHBondContact O-N 3.48Å; Y116-S119 VanDerWaalsContact O-N 3.08Å; Y116-S119 PolarHBondContact O-OG 2.9Å; Y116-S119 VanDerWaalsContact O-OG 3.08Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.38Å; S119-R121 VanDerWaalsContact O-N 3.09Å; S119-D165 VanDerWaalsContact O-CB 3.3Å; S119-D165 WeakPolarHBondContact O-CB 3.43Å; S119-M166 PolarHBondContact O-N 2.85Å
120A80.6Confident85.3Confident18 Ų1856.4 Ų56.415%0.14932%0.319CS..THydrogen-bonded Turntrans-80.712.9179.900000116.7D110 D112 P114 N118 V122D110-A120 HydrophobicContact CB-CB 3.89Å; D112-A120 HydrophobicContact CB-CB 4.11Å; D112-A120 WeakPolarHBondContact O-CB 3.38Å; P114-A120 HydrophobicContact CB-CB 4.1Å; N118-A120 PolarHBondContact O-N 2.73Å; A120-V122 PolarHBondContact O-N 2.78Å
121R86.1Confident85.2Confident134 Ų13459.1 Ų59.151%0.50634%0.338SS..  trans-90.1100.1178.7-66.3-168.6-177.3-169.6-7.6111.2P114 N118 S119 D165 M166 V167P114-R121 PolarHBondContact O-NE 3.18Å; N118-R121 HydrophobicContact CB-CB 4.15Å; N118-R121 HydrophobicContact CB-CG 4.2Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.23Å; N118-R121 VanDerWaalsContact OD1-CD 3.32Å; N118-R121 WeakPolarHBondContact OD1-CD 3.41Å; N118-R121 PolarHBondContact OD1-NE 3.27Å; N118-R121 PolarHBondContact OD1-NH1 2.8Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.38Å; S119-R121 VanDerWaalsContact O-N 3.09Å; R121-D165 CarbonylContact O-C 3.57Å; R121-M166 PolarHBondContact O-N 2.86Å; R121-V167 HydrophobicContact CB-CG2 4.05Å; R121-V167 PolarHBondContact O-N 2.93Å
122V88.6Confident85.2Confident30 Ų3059.7 Ų59.718%0.18233%0.329CS..  trans-83.3138.2-176.7-174.20000112.3P82 D110 A120 Y124 A163 K164P82-V122 HydrophobicContact CB-CG1 4.23Å; P82-V122 HydrophobicContact CB-CG2 3.94Å; P82-V122 HydrophobicContact CG-CG1 4.32Å; P82-V122 HydrophobicContact CG-CG2 3.82Å; D110-V122 HydrophobicContact CB-CG2 4.02Å; A120-V122 PolarHBondContact O-N 2.78Å; V122-Y124 HydrophobicContact CB-CE2 4.4Å; V122-Y124 HydrophobicContact CG1-CD2 4.46Å; V122-Y124 HydrophobicContact CG1-CE1 4.29Å; V122-Y124 HydrophobicContact CG1-CE2 3.94Å; V122-A163 HydrophobicContact CG1-CB 3.51Å; V122-K164 CarbonylContact C-O 3.29Å; V122-K164 WeakPolarHBondContact CA-O 3.21Å
123V90.2Very high85.4Confident41 Ų4160 Ų6025%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-119.2136.2168.3167.20000109.3P137 K164 V167V123-P137 HydrophobicContact CG1-CB 4.1Å; V123-K164 PolarHBondContact N-O 2.78Å; V123-K164 PolarHBondContact O-N 3.47Å; V123-V167 HydrophobicContact CG2-CB 4.43Å; V123-V167 HydrophobicContact CG2-CG1 3.87Å
124Y91.6Very high85.7Confident14 Ų1461 Ų616%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-99141.1-177.9-59.5-96.1000111.4F84 V106 A108 V122 V140 I161 Q162 A163F84-Y124 HydrophobicContact CE1-CD1 4.12Å; F84-Y124 AromaticContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CZ-CD1 4.18Å; F84-Y124 HydrophobicContact CZ-CE1 4.09Å; V106-Y124 WeakPolarHBondContact O-CE1 3.15Å; A108-Y124 HydrophobicContact CB-CE1 3.92Å; A108-Y124 PolarHBondContact N-OH 3.25Å; A108-Y124 PolarHBondContact O-OH 2.99Å; A108-Y124 VanDerWaalsContact O-OH 3.07Å; V122-Y124 HydrophobicContact CB-CE2 4.4Å; V122-Y124 HydrophobicContact CG1-CD2 4.46Å; V122-Y124 HydrophobicContact CG1-CE1 4.29Å; V122-Y124 HydrophobicContact CG1-CE2 3.94Å; Y124-V140 HydrophobicContact CD1-CG1 4.47Å; Y124-V140 HydrophobicContact CD2-CG1 4.4Å; Y124-V140 HydrophobicContact CD2-CG2 4.07Å; Y124-V140 HydrophobicContact CE1-CG1 4Å; Y124-V140 HydrophobicContact CE2-CB 4.31Å; Y124-V140 HydrophobicContact CE2-CG1 3.98Å; Y124-V140 HydrophobicContact CE2-CG2 3.53Å; Y124-I161 HydrophobicContact CD1-CG2 4.34Å; Y124-Q162 CarbonylContact C-O 3.45Å; Y124-Q162 WeakPolarHBondContact CA-O 3.31Å; Y124-A163 HydrophobicContact CD1-CB 4.11Å; Y124-A163 HydrophobicContact CE1-CB 3.91Å
125S91.6Very high86.4Confident45 Ų4558.6 Ų58.632%0.31532%0.324SS..EExtended strand (participates in β ladder)trans-146.4155.1173.6640000111.3I161 Q162S125-I161 WeakPolarHBondContact O-CA 3.38Å; S125-Q162 PolarHBondContact N-O 3.05Å; S125-Q162 PolarHBondContact O-N 2.87Å
126I93.6Very high86.9Confident50 Ų5056.7 Ų56.726%0.25631%0.307SS..EExtended strand (participates in β ladder)trans-94.2116.3172.1-60.3167.1000107H128 F133 V135 L142I126-H128 WeakPolarHBondContact CG2-O 3.45Å; I126-F133 HydrophobicContact CD1-CB 4.19Å; I126-F133 WeakPolarHBondContact CD1-O 3.48Å; I126-V135 HydrophobicContact CD1-CB 4.37Å; I126-V135 HydrophobicContact CD1-CG1 4.41Å; I126-V135 HydrophobicContact CG1-CB 4.18Å; I126-V135 HydrophobicContact CG1-CG1 3.85Å; I126-L142 HydrophobicContact CD1-CD1 3.83Å; I126-L142 HydrophobicContact CG1-CD1 4.47Å
127I92.8Very high87.4Confident88 Ų8854.9 Ų54.945%0.45131%0.307SS..EExtended strand (participates in β ladder)trans-97.3-21.3-178.556.5165.9000112.7V160 Q162 T176I127-V160 HydrophobicContact CD1-CG1 3.81Å; I127-V160 HydrophobicContact CG1-CB 4.03Å; I127-V160 HydrophobicContact CG1-CG1 3.82Å; I127-V160 WeakPolarHBondContact CG1-O 3.27Å; I127-V160 PolarHBondContact N-O 2.97Å; I127-Q162 HydrophobicContact CD1-CB 4.16Å; I127-Q162 HydrophobicContact CG1-CB 4.22Å; I127-Q162 HydrophobicContact CG2-CB 3.66Å; I127-Q162 HydrophobicContact CG2-CG 4.44Å; I127-T176 HydrophobicContact CD1-CG2 3.82Å
128H92.5Very high87.6Confident130 Ų13061.3 Ų61.360%0.60232%0.321SS*.EExtended strand (participates in β ladder)trans-147132.5174.9-175.9-87.7000109.6I126 L159 V160I126-H128 WeakPolarHBondContact CG2-O 3.45Å; H128-L159 CarbonylContact O-C 3.55Å; H128-L159 WeakPolarHBondContact O-CA 3.33Å; H128-V160 HydrophobicContact CB-CB 3.96Å; H128-V160 HydrophobicContact CB-CG2 3.95Å; H128-V160 PolarHBondContact O-N 2.85Å
129G87.1Confident87.5Confident33 Ų3361.5 Ų61.534%0.3432%0.324SS..SBendtrans156.7178.6-176.800000112.5
130Q85Confident87.7Confident94 Ų9462.2 Ų62.244%0.43933%0.328SS..  trans-89.7153.6173.7-65.4-63.8-4100110.5Y132 Y157Q130-Y132 HydrophobicContact CB-CD2 3.84Å; Q130-Y132 HydrophobicContact CB-CE2 4.49Å; Q130-Y132 PolarHBondContact O-N 2.95Å; Q130-Y157 HydrophobicContact CB-CD1 4.07Å; Q130-Y157 HydrophobicContact CB-CE1 4.37Å; Q130-Y157 HydrophobicContact CG-CD1 3.91Å; Q130-Y157 HydrophobicContact CG-CE1 4.19Å
131P88.5Confident88.2Confident82 Ų8262.2 Ų62.253%0.53233%0.326SS..THydrogen-bonded Turntrans-720.6-174.731.4-37.3000114.2F133 L146P131-F133 PolarHBondContact O-N 3.35Å; P131-L146 HydrophobicContact CB-CD1 3.74Å; P131-L146 HydrophobicContact CG-CD1 3.83Å; P131-L146 WeakPolarHBondContact O-CD1 3.45Å; P131-L146 WeakPolarHBondContact O-CG 3.47Å
132Y92Very high88.5Confident66 Ų6655.9 Ų55.926%0.25930%0.302SS..THydrogen-bonded Turntrans-65.9-16.5176.9-66.3-75.5000114.1Q130 A145 L146 P147 M149 Y157Q130-Y132 HydrophobicContact CB-CD2 3.84Å; Q130-Y132 HydrophobicContact CB-CE2 4.49Å; Q130-Y132 PolarHBondContact O-N 2.95Å; Y132-A145 PolarHBondContact O-N 2.85Å; Y132-L146 HydrophobicContact CD1-CB 3.76Å; Y132-L146 HydrophobicContact CE1-CB 4.28Å; Y132-L146 PolarHBondContact O-N 2.91Å; Y132-P147 WeakPolarHBondContact CE1-O 3.13Å; Y132-M149 HydrophobicContact CD1-CG 3.51Å; Y132-M149 HydrophobicContact CD1-SD 4.39Å; Y132-M149 HydrophobicContact CE1-CG 4.11Å; Y132-M149 HydrophobicContact CG-CG 3.86Å; Y132-M149 HydrophobicContact CG-SD 4.31Å; Y132-Y157 AromaticContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CE2-CE1 4.27Å
133F93.6Very high88.7Confident10 Ų1057.2 Ų57.24%0.04431%0.306CS..EExtended strand (participates in β ladder)trans-120.8147.2-177.1-54.2-85.3000111.7V103 I126 P131 L142 K143 M149 Y157 L159 V181V103-F133 HydrophobicContact CG2-CD1 4.19Å; V103-F133 HydrophobicContact CG2-CE1 4.15Å; I126-F133 HydrophobicContact CD1-CB 4.19Å; I126-F133 WeakPolarHBondContact CD1-O 3.48Å; P131-F133 PolarHBondContact O-N 3.35Å; F133-L142 HydrophobicContact CB-CD1 4.1Å; F133-L142 HydrophobicContact CB-CG 4.46Å; F133-L142 HydrophobicContact CD1-CD2 4.38Å; F133-K143 WeakPolarHBondContact CA-O 3.46Å; F133-M149 HydrophobicContact CE1-CE 3.86Å; F133-M149 HydrophobicContact CE1-SD 4.31Å; F133-M149 HydrophobicContact CE2-CE 3.8Å; F133-M149 HydrophobicContact CZ-CE 3.22Å; F133-M149 HydrophobicContact CZ-SD 4.17Å; F133-Y157 HydrophobicContact CE2-CD1 4.13Å; F133-Y157 HydrophobicContact CE2-CD2 4.28Å; F133-Y157 AromaticContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CZ-CD2 4.28Å; F133-Y157 HydrophobicContact CZ-CG 4.18Å; F133-L159 HydrophobicContact CB-CD1 3.78Å; F133-L159 HydrophobicContact CD1-CD1 4.24Å; F133-L159 HydrophobicContact CD2-CD1 3.66Å; F133-L159 HydrophobicContact CD2-CD2 3.72Å; F133-L159 HydrophobicContact CD2-CG 4.19Å; F133-L159 HydrophobicContact CE2-CD1 4.24Å; F133-L159 HydrophobicContact CE2-CD2 4.29Å; F133-L159 HydrophobicContact CG-CD1 3.62Å; F133-L159 HydrophobicContact CG-CD2 4.41Å; F133-V181 HydrophobicContact CE1-CB 4.22Å; F133-V181 HydrophobicContact CE1-CG1 3.84Å; F133-V181 HydrophobicContact CE1-CG2 4.03Å; F133-V181 HydrophobicContact CZ-CB 3.88Å; F133-V181 HydrophobicContact CZ-CG1 3.77Å; F133-V181 HydrophobicContact CZ-CG2 4.01Å
134S92.8Very high88.9Confident50 Ų5055.5 Ų55.535%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-130.8142.2170.761.60000109.5L142 K143S134-L142 CarbonylContact O-C 3.51Å; S134-L142 WeakPolarHBondContact O-CA 3.33Å; S134-K143 PolarHBondContact N-O 2.81Å; S134-K143 PolarHBondContact O-N 3.08Å
135V92.3Very high89Confident18 Ų1856.8 Ų56.811%0.10931%0.308CS..EExtended strand (participates in β ladder)trans-104.7128.8171.366.60000108.4V106 I126 P137 L142V106-V135 HydrophobicContact CG2-CG2 4.45Å; I126-V135 HydrophobicContact CD1-CB 4.37Å; I126-V135 HydrophobicContact CD1-CG1 4.41Å; I126-V135 HydrophobicContact CG1-CB 4.18Å; I126-V135 HydrophobicContact CG1-CG1 3.85Å; V135-P137 WeakPolarHBondContact O-CD 3.47Å; V135-L142 HydrophobicContact CB-CD1 4.14Å
136E88.2Confident89Confident74 Ų7458 Ų5835%0.34631%0.311SS..  trans-77.3119.1176.6-177167.1-163.100109.6K138 T139 V140 V141 K143E136-K138 PolarHBondContact O-N 3.1Å; E136-T139 WeakPolarHBondContact CB-OG1 3.49Å; E136-T139 VanDerWaalsContact CD-CG2 3.45Å; E136-T139 HydrophobicContact CG-CG2 4.03Å; E136-T139 WeakPolarHBondContact CG-OG1 3.17Å; E136-T139 PolarHBondContact OE2-OG1 2.75Å; E136-V140 PolarHBondContact O-N 2.81Å; E136-V141 PolarHBondContact N-O 2.9Å; E136-K143 IonicContact OE2-NZ 2.64Å; E136-K143 PolarHBondContact OE2-NZ 3.37Å
137P83.5Confident88.7Confident63 Ų6358.7 Ų58.741%0.40932%0.319SS..THydrogen-bonded Turntrans-57.5-21.7-167.8-32.638.7000116.6V123 V135V123-P137 HydrophobicContact CG1-CB 4.1Å; V135-P137 WeakPolarHBondContact O-CD 3.47Å
138K75.4Confident88.3Confident188 Ų18860.6 Ų60.682%0.81733%0.33SS*.THydrogen-bonded Turntrans-117.2-33.9-173.2-64.2-176.6-179.5179.70114.2E136E136-K138 PolarHBondContact O-N 3.1Å
139T73.5Confident88.2Confident59 Ų5954.8 Ų54.836%0.36230%0.303SS..THydrogen-bonded Turntrans-90.5-9.3-176.465.30000111.8E136 V141E136-T139 WeakPolarHBondContact CB-OG1 3.49Å; E136-T139 VanDerWaalsContact CD-CG2 3.45Å; E136-T139 HydrophobicContact CG-CG2 4.03Å; E136-T139 WeakPolarHBondContact CG-OG1 3.17Å; E136-T139 PolarHBondContact OE2-OG1 2.75Å; T139-V141 WeakPolarHBondContact O-CG2 3.46Å; T139-V141 PolarHBondContact O-N 3.49Å
140V82.3Confident88.5Confident19 Ų1955.7 Ų55.712%0.11530%0.3CS..  trans68.915.6171.1-162.50000112.1Q105 V106 A107 Y124 E136Q105-V140 WeakPolarHBondContact CA-O 3.31Å; Q105-V140 HydrophobicContact CG-CB 4.42Å; Q105-V140 HydrophobicContact CG-CG1 4.49Å; V106-V140 HydrophobicContact CG2-CG1 4.39Å; V106-V140 PolarHBondContact N-O 3.3Å; V106-V140 WeakPolarHBondContact O-CG1 3.17Å; A107-V140 HydrophobicContact CB-CG1 4.17Å; Y124-V140 HydrophobicContact CD1-CG1 4.47Å; Y124-V140 HydrophobicContact CD2-CG1 4.4Å; Y124-V140 HydrophobicContact CD2-CG2 4.07Å; Y124-V140 HydrophobicContact CE1-CG1 4Å; Y124-V140 HydrophobicContact CE2-CB 4.31Å; Y124-V140 HydrophobicContact CE2-CG1 3.98Å; Y124-V140 HydrophobicContact CE2-CG2 3.53Å; E136-V140 PolarHBondContact O-N 2.81Å
141V90.8Very high89Confident19 Ų1952.9 Ų52.912%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-97.4125.3-178.5-175.40000110.2M102 E136 T139 K143M102-V141 HydrophobicContact CB-CG1 4.03Å; M102-V141 HydrophobicContact CG-CG1 3.47Å; M102-V141 VanDerWaalsContact CG-CG1 3.47Å; M102-V141 HydrophobicContact SD-CG1 3.78Å; E136-V141 PolarHBondContact N-O 2.9Å; T139-V141 WeakPolarHBondContact O-CG2 3.46Å; T139-V141 PolarHBondContact O-N 3.49Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å
142L92.5Very high89.2Confident0 Ų051.5 Ų51.50%027%0.272CS..EExtended strand (participates in β ladder)trans-81.8127.8166.8-170.175.4000109.3V103 V104 I126 F133 S134 V135 L159 I161 V179 V181V103-L142 HydrophobicContact CB-CB 4.48Å; V103-L142 HydrophobicContact CB-CD2 4.18Å; V103-L142 HydrophobicContact CB-CG 4.42Å; V103-L142 HydrophobicContact CG1-CD2 4.15Å; V103-L142 PolarHBondContact N-O 3.24Å; V104-L142 HydrophobicContact CG1-CB 4.11Å; V104-L142 HydrophobicContact CG1-CD2 4.01Å; V104-L142 WeakPolarHBondContact O-CB 3.43Å; V104-L142 PolarHBondContact O-N 3.21Å; I126-L142 HydrophobicContact CD1-CD1 3.83Å; I126-L142 HydrophobicContact CG1-CD1 4.47Å; F133-L142 HydrophobicContact CB-CD1 4.1Å; F133-L142 HydrophobicContact CB-CG 4.46Å; F133-L142 HydrophobicContact CD1-CD2 4.38Å; S134-L142 CarbonylContact O-C 3.51Å; S134-L142 WeakPolarHBondContact O-CA 3.33Å; V135-L142 HydrophobicContact CB-CD1 4.14Å; L142-L159 HydrophobicContact CD1-CD1 4.16Å; L142-L159 HydrophobicContact CD2-CD1 3.66Å; L142-L159 HydrophobicContact CG-CD1 4.5Å; L142-I161 HydrophobicContact CD1-CD1 4.23Å; L142-V179 HydrophobicContact CD2-CG1 4.25Å; L142-V181 HydrophobicContact CD2-CG2 4.29Å
143K93.5Very high89.3Confident59 Ų5953.8 Ų53.826%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-130.9157-177.6-59.1-179.7-169.4167.20112T101 F133 S134 E136 V141 A145T101-K143 WeakPolarHBondContact O-CA 3.3Å; F133-K143 WeakPolarHBondContact CA-O 3.46Å; S134-K143 PolarHBondContact N-O 2.81Å; S134-K143 PolarHBondContact O-N 3.08Å; E136-K143 IonicContact OE2-NZ 2.64Å; E136-K143 PolarHBondContact OE2-NZ 3.37Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å; K143-A145 PolarHBondContact O-N 2.81Å
144I94.3Very high89.3Confident5 Ų557.8 Ų57.83%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-69128.1170.8-59-177.3000110.2V93 L99 G100 T101 V103 L146 M149V93-I144 HydrophobicContact CG2-CD1 3.95Å; L99-I144 HydrophobicContact CD2-CG2 4.34Å; G100-I144 PolarHBondContact N-O 2.82Å; T101-I144 PolarHBondContact O-N 2.88Å; V103-I144 HydrophobicContact CG2-CG1 4.07Å; I144-L146 VanDerWaalsContact CG2-O 3.25Å; I144-L146 WeakPolarHBondContact CG2-O 3.41Å; I144-M149 HydrophobicContact CG2-SD 4.41Å
145A92.7Very high89.3Confident40 Ų4059.8 Ų59.833%0.33132%0.317SS..  trans-110.3-27.3-176.900000113.7Y132 K143Y132-A145 PolarHBondContact O-N 2.85Å; K143-A145 PolarHBondContact O-N 2.81Å
146L91.3Very high89.5Confident72 Ų7263.2 Ų63.238%0.37733%0.332SS..SBendtrans-128.5148.1177.5-64.2175.5000111L99 P131 Y132 I144L99-L146 VanDerWaalsContact CD2-C 3.49Å; P131-L146 HydrophobicContact CB-CD1 3.74Å; P131-L146 HydrophobicContact CG-CD1 3.83Å; P131-L146 WeakPolarHBondContact O-CD1 3.45Å; P131-L146 WeakPolarHBondContact O-CG 3.47Å; Y132-L146 HydrophobicContact CD1-CB 3.76Å; Y132-L146 HydrophobicContact CE1-CB 4.28Å; Y132-L146 PolarHBondContact O-N 2.91Å; I144-L146 VanDerWaalsContact CG2-O 3.25Å; I144-L146 WeakPolarHBondContact CG2-O 3.41Å
147P87.8Confident89.8Confident63 Ų6360.2 Ų60.241%0.40932%0.318SS..SBendtrans-80.9-178.7179.136.2-35.3000111.3L99 Y132 M149L99-P147 HydrophobicContact CD2-CB 4.23Å; Y132-P147 WeakPolarHBondContact CE1-O 3.13Å; P147-M149 PolarHBondContact O-N 3.48Å
148N84.4Confident90.3Very high129 Ų12960.8 Ų60.869%0.6932%0.319SS*.  trans62.739.3172.1-47.6-21.9000113.5
149M91.6Very high91.2Very high7 Ų751.8 Ų51.83%0.03428%0.281CS..  trans-75126.4159.6-65.9-178.375.100107.5M96 Y132 F133 I144 P147 Y157 L183M96-M149 PolarHBondContact N-O 3.2Å; Y132-M149 HydrophobicContact CD1-CG 3.51Å; Y132-M149 HydrophobicContact CD1-SD 4.39Å; Y132-M149 HydrophobicContact CE1-CG 4.11Å; Y132-M149 HydrophobicContact CG-CG 3.86Å; Y132-M149 HydrophobicContact CG-SD 4.31Å; F133-M149 HydrophobicContact CE1-CE 3.86Å; F133-M149 HydrophobicContact CE1-SD 4.31Å; F133-M149 HydrophobicContact CE2-CE 3.8Å; F133-M149 HydrophobicContact CZ-CE 3.22Å; F133-M149 HydrophobicContact CZ-SD 4.17Å; I144-M149 HydrophobicContact CG2-SD 4.41Å; P147-M149 PolarHBondContact O-N 3.48Å; M149-Y157 HydrophobicContact CE-CD2 3.85Å; M149-Y157 HydrophobicContact CE-CE2 3.68Å; M149-Y157 HydrophobicContact CE-CG 4.5Å; M149-L183 HydrophobicContact CB-CD1 4.01Å; M149-L183 HydrophobicContact CB-CD2 4.47Å; M149-L183 HydrophobicContact CE-CD1 4.28Å; M149-L183 HydrophobicContact CE-CD2 3.6Å; M149-L183 HydrophobicContact CE-CG 4.29Å
150D92.3Very high92.2Very high53 Ų5350.9 Ų50.928%0.28328%0.275SS..  trans-134.1125.2-172.3157.6-5.4000106.8E95 E152 T153 K154E95-D150 WeakPolarHBondContact OE2-CA 3.45Å; D150-E152 WeakPolarHBondContact OD1-CA 3.26Å; D150-E152 WeakPolarHBondContact OD1-CB 3.49Å; D150-E152 PolarHBondContact OD1-N 3.25Å; D150-T153 PolarHBondContact OD1-N 3.33Å; D150-T153 PolarHBondContact OD2-OG1 3.34Å; D150-K154 PolarHBondContact O-N 3.32Å
151R95.2Very high92.8Very high34 Ų3450 Ų5013%0.12827%0.269CS..THydrogen-bonded Turntrans-75.5-38.1-175.6-172.8-143.565.279.3-2.7111E95 T153 K154 D155 L183 D185 A220E95-R151 HydrophobicContact CB-CB 4.4Å; E95-R151 WeakPolarHBondContact OE1-CB 3.22Å; E95-R151 VanDerWaalsContact OE2-CB 3.3Å; E95-R151 WeakPolarHBondContact OE2-CB 3.17Å; E95-R151 PolarHBondContact OE2-N 3.07Å; R151-T153 PolarHBondContact O-N 3.37Å; R151-K154 CarbonylContact O-C 3.58Å; R151-K154 PolarHBondContact O-N 3.29Å; R151-D155 HydrophobicContact CG-CB 3.82Å; R151-D155 PolarHBondContact O-N 2.98Å; R151-L183 HydrophobicContact CB-CB 4.03Å; R151-L183 HydrophobicContact CB-CD1 4.4Å; R151-L183 HydrophobicContact CG-CB 4.06Å; R151-D185 WeakPolarHBondContact CD-OD1 3.04Å; R151-D185 IonicContact CZ-OD1 3.49Å; R151-D185 IonicContact NE-OD1 3.1Å; R151-D185 PolarHBondContact NE-OD1 3.05Å; R151-D185 IonicContact NH2-OD1 2.64Å; R151-A220 PolarHBondContact NH2-O 3.26Å
152E94.4Very high92.9Very high53 Ų5351 Ų5125%0.24827%0.272CS..THydrogen-bonded Turntrans-60.1-32.8176-68.458.4-12100111.1D150 A220D150-E152 WeakPolarHBondContact OD1-CA 3.26Å; D150-E152 WeakPolarHBondContact OD1-CB 3.49Å; D150-E152 PolarHBondContact OD1-N 3.25Å; E152-A220 HydrophobicContact CG-CB 3.77Å
153T93.3Very high92.9Very high114 Ų11451 Ų5170%0.69927%0.272SS*.THydrogen-bonded Turntrans-79.5-49.9171.7-64.90000112D150 R151D150-T153 PolarHBondContact OD1-N 3.33Å; D150-T153 PolarHBondContact OD2-OG1 3.34Å; R151-T153 PolarHBondContact O-N 3.37Å
154K92.8Very high92.8Very high94 Ų9450.6 Ų50.641%0.40927%0.271SS..  trans-158.8113.4-179.4-176.1170.6-179.6170.10112.4D150 R151 Q156 Y157 L183D150-K154 PolarHBondContact O-N 3.32Å; R151-K154 CarbonylContact O-C 3.58Å; R151-K154 PolarHBondContact O-N 3.29Å; K154-Q156 WeakPolarHBondContact CE-O 3.48Å; K154-Y157 HydrophobicContact CD-CD1 4.49Å; K154-Y157 HydrophobicContact CD-CE1 3.94Å; K154-Y157 HydrophobicContact CG-CE1 4.41Å; K154-Y157 HydrophobicContact CG-CE2 4.32Å; K154-Y157 WeakPolarHBondContact O-CE2 3.32Å; K154-Y157 PolarHBondContact O-OH 3.25Å; K154-L183 WeakPolarHBondContact O-CD1 3.42Å
155D94.4Very high92.6Very high92 Ų9250.3 Ų50.349%0.49227%0.27SS..  trans-83.7-19.4-174.265.3-10.1000115.4R151 T182 L183R151-D155 HydrophobicContact CG-CB 3.82Å; R151-D155 PolarHBondContact O-N 2.98Å; D155-T182 CarbonylContact O-C 3.26Å; D155-T182 WeakPolarHBondContact O-CA 3.26Å; D155-L183 PolarHBondContact O-N 3.38Å
156Q94.9Very high92.3Very high90 Ų9050.6 Ų50.642%0.42126%0.264SS..EExtended strand (participates in β ladder)trans-136.3136.1-174.1-167.9176.972.400114K154 T180 V181 T182K154-Q156 WeakPolarHBondContact CE-O 3.48Å; Q156-T180 VanDerWaalsContact CD-CG2 3.45Å; Q156-T180 HydrophobicContact CG-CG2 3.59Å; Q156-V181 WeakPolarHBondContact CA-O 3.43Å; Q156-T182 HydrophobicContact CG-CG2 4.26Å
157Y94.4Very high91.9Very high12 Ų1250.5 Ų50.55%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-126.4128.4177.2-61.6-95.7000110.5Q130 Y132 F133 M149 K154 T180 V181 L183Q130-Y157 HydrophobicContact CB-CD1 4.07Å; Q130-Y157 HydrophobicContact CB-CE1 4.37Å; Q130-Y157 HydrophobicContact CG-CD1 3.91Å; Q130-Y157 HydrophobicContact CG-CE1 4.19Å; Y132-Y157 AromaticContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CE2-CE1 4.27Å; F133-Y157 HydrophobicContact CE2-CD1 4.13Å; F133-Y157 HydrophobicContact CE2-CD2 4.28Å; F133-Y157 AromaticContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CZ-CD2 4.28Å; F133-Y157 HydrophobicContact CZ-CG 4.18Å; M149-Y157 HydrophobicContact CE-CD2 3.85Å; M149-Y157 HydrophobicContact CE-CE2 3.68Å; M149-Y157 HydrophobicContact CE-CG 4.5Å; K154-Y157 HydrophobicContact CD-CD1 4.49Å; K154-Y157 HydrophobicContact CD-CE1 3.94Å; K154-Y157 HydrophobicContact CG-CE1 4.41Å; K154-Y157 HydrophobicContact CG-CE2 4.32Å; K154-Y157 WeakPolarHBondContact O-CE2 3.32Å; K154-Y157 PolarHBondContact O-OH 3.25Å; Y157-T180 WeakPolarHBondContact O-CA 3.19Å; Y157-V181 PolarHBondContact N-O 3.05Å; Y157-V181 PolarHBondContact O-N 2.77Å; Y157-L183 HydrophobicContact CD2-CG 4.48Å; Y157-L183 HydrophobicContact CE2-CD1 3.87Å; Y157-L183 HydrophobicContact CE2-CG 4.08Å
158V94.9Very high91.6Very high74 Ų7449 Ų4945%0.44826%0.262SS..EExtended strand (participates in β ladder)trans-106.7122.2175.2-1770000109.1T180V158-T180 HydrophobicContact CG2-CG2 4.33Å
159L94.4Very high91.5Very high0 Ų048.6 Ų48.60%026%0.256CS..EExtended strand (participates in β ladder)trans-114.2142.5179.8-51.6172.4000109.3H128 F133 L142 S178 V179 V181H128-L159 CarbonylContact O-C 3.55Å; H128-L159 WeakPolarHBondContact O-CA 3.33Å; F133-L159 HydrophobicContact CB-CD1 3.78Å; F133-L159 HydrophobicContact CD1-CD1 4.24Å; F133-L159 HydrophobicContact CD2-CD1 3.66Å; F133-L159 HydrophobicContact CD2-CD2 3.72Å; F133-L159 HydrophobicContact CD2-CG 4.19Å; F133-L159 HydrophobicContact CE2-CD1 4.24Å; F133-L159 HydrophobicContact CE2-CD2 4.29Å; F133-L159 HydrophobicContact CG-CD1 3.62Å; F133-L159 HydrophobicContact CG-CD2 4.41Å; L142-L159 HydrophobicContact CD1-CD1 4.16Å; L142-L159 HydrophobicContact CD2-CD1 3.66Å; L142-L159 HydrophobicContact CG-CD1 4.5Å; L159-S178 CarbonylContact O-C 3.58Å; L159-S178 VanDerWaalsContact O-CA 3.31Å; L159-S178 WeakPolarHBondContact O-CA 3.26Å; L159-V179 HydrophobicContact CB-CB 4.41Å; L159-V179 PolarHBondContact N-O 2.87Å; L159-V179 PolarHBondContact O-N 2.79Å; L159-V181 HydrophobicContact CD1-CG2 4.11Å
160V94.7Very high90.9Very high39 Ų3957.8 Ų57.824%0.23630%0.302CS..EExtended strand (participates in β ladder)trans-110.2115.6169.3-1740000108I127 H128 T176 T177I127-V160 HydrophobicContact CD1-CG1 3.81Å; I127-V160 HydrophobicContact CG1-CB 4.03Å; I127-V160 HydrophobicContact CG1-CG1 3.82Å; I127-V160 WeakPolarHBondContact CG1-O 3.27Å; I127-V160 PolarHBondContact N-O 2.97Å; H128-V160 HydrophobicContact CB-CB 3.96Å; H128-V160 HydrophobicContact CB-CG2 3.95Å; H128-V160 PolarHBondContact O-N 2.85Å; V160-T176 HydrophobicContact CG1-CG2 4.5Å; V160-T177 WeakPolarHBondContact CA-O 3.35Å
161I93.5Very high90.2Very high0 Ų058.3 Ų58.30%032%0.32CS..EExtended strand (participates in β ladder)trans-100129.3-179.9-57-173.9000108.1F84 V106 Y124 S125 L142 T176 T177 V179F84-I161 HydrophobicContact CE1-CG2 4.48Å; F84-I161 HydrophobicContact CZ-CG2 4.13Å; V106-I161 HydrophobicContact CB-CD1 4.36Å; V106-I161 HydrophobicContact CG1-CD1 4.16Å; V106-I161 HydrophobicContact CG2-CD1 3.72Å; V106-I161 HydrophobicContact CG2-CG2 4.34Å; Y124-I161 HydrophobicContact CD1-CG2 4.34Å; S125-I161 WeakPolarHBondContact O-CA 3.38Å; L142-I161 HydrophobicContact CD1-CD1 4.23Å; I161-T176 CarbonylContact O-C 3.23Å; I161-T176 VanDerWaalsContact O-CA 3.27Å; I161-T176 WeakPolarHBondContact O-CA 3.44Å; I161-T177 HydrophobicContact CB-CG2 4.19Å; I161-T177 PolarHBondContact N-O 2.99Å; I161-T177 PolarHBondContact O-N 3.49Å; I161-V179 HydrophobicContact CD1-CB 4.38Å; I161-V179 HydrophobicContact CD1-CG2 3.36Å; I161-V179 HydrophobicContact CG1-CG2 3.92Å
162Q93.1Very high89.8Confident40 Ų4057.5 Ų57.519%0.18732%0.321CS..EExtended strand (participates in β ladder)trans-104.1129.5173.7-175.2177.163.200109.5Y124 S125 I127 S174 G175 T176Y124-Q162 CarbonylContact C-O 3.45Å; Y124-Q162 WeakPolarHBondContact CA-O 3.31Å; S125-Q162 PolarHBondContact N-O 3.05Å; S125-Q162 PolarHBondContact O-N 2.87Å; I127-Q162 HydrophobicContact CD1-CB 4.16Å; I127-Q162 HydrophobicContact CG1-CB 4.22Å; I127-Q162 HydrophobicContact CG2-CB 3.66Å; I127-Q162 HydrophobicContact CG2-CG 4.44Å; Q162-S174 PolarHBondContact NE2-OG 3.11Å; Q162-G175 WeakPolarHBondContact CA-O 3.39Å; Q162-T176 HydrophobicContact CB-CG2 4.21Å; Q162-T176 HydrophobicContact CG-CG2 4.19Å
163A93.1Very high89.6Confident0 Ų058 Ų580%033%0.326CS..EExtended strand (participates in β ladder)trans-100.1118.3164.700000107.4P82 F84 A108 V122 Y124 S174 G175P82-A163 HydrophobicContact CB-CB 3.79Å; F84-A163 HydrophobicContact CE1-CB 4.3Å; F84-A163 HydrophobicContact CE2-CB 3.57Å; F84-A163 HydrophobicContact CZ-CB 3.43Å; F84-A163 VanDerWaalsContact CZ-CB 3.43Å; A108-A163 HydrophobicContact CB-CB 3.51Å; V122-A163 HydrophobicContact CG1-CB 3.51Å; Y124-A163 HydrophobicContact CD1-CB 4.11Å; Y124-A163 HydrophobicContact CE1-CB 3.91Å; A163-S174 CarbonylContact O-C 3.54Å; A163-S174 WeakPolarHBondContact O-CA 3.37Å; A163-G175 PolarHBondContact N-O 3.25Å; A163-G175 PolarHBondContact O-N 3.13Å
164K91.6Very high89.6Confident51 Ų5154.7 Ų54.722%0.22231%0.307CS..EExtended strand (participates in β ladder)trans-120.5127.8-179.7-169.4175.4175.3-161.40110.5V122 V123 G168 Q169 L173V122-K164 CarbonylContact C-O 3.29Å; V122-K164 WeakPolarHBondContact CA-O 3.21Å; V123-K164 PolarHBondContact N-O 2.78Å; V123-K164 PolarHBondContact O-N 3.47Å; K164-G168 PolarHBondContact NZ-O 3.16Å; K164-Q169 VanDerWaalsContact CE-O 3.23Å; K164-Q169 WeakPolarHBondContact CE-O 3.46Å; K164-Q169 PolarHBondContact NZ-O 3.3Å; K164-L173 WeakPolarHBondContact CA-O 3.48Å
165D90.1Very high89.6Confident0 Ų050.7 Ų50.70%029%0.292CS..SBendtrans-73.4-174.6-179.476.513.6000111.6N78 P82 S119 R121 V167 G168 G172 L173N78-D165 PolarHBondContact ND2-OD2 2.8Å; N78-D165 PolarHBondContact OD1-OD2 2.86Å; P82-D165 HydrophobicContact CG-CB 3.75Å; S119-D165 VanDerWaalsContact O-CB 3.3Å; S119-D165 WeakPolarHBondContact O-CB 3.43Å; R121-D165 CarbonylContact O-C 3.57Å; D165-V167 PolarHBondContact O-N 2.86Å; D165-G168 PolarHBondContact O-N 3.36Å; D165-G172 WeakPolarHBondContact OD1-CA 3.45Å; D165-L173 PolarHBondContact N-O 3.45Å; D165-L173 PolarHBondContact OD1-N 2.82Å; D165-L173 WeakPolarHBondContact OD2-CA 3.06Å; D165-L173 WeakPolarHBondContact OD2-CB 3.4Å; D165-L173 PolarHBondContact OD2-N 2.8Å
166M85.7Confident89.6Confident45 Ų4550.2 Ų50.222%0.22229%0.293CS..G310 helixtrans51.732.7179.5-67.6-16415800114.2N78 N118 S119 R121 G168 Q169N78-M166 HydrophobicContact CB-CE 3.35Å; N118-M166 WeakPolarHBondContact O-CA 3.45Å; N118-M166 PolarHBondContact O-N 2.78Å; S119-M166 PolarHBondContact O-N 2.85Å; R121-M166 PolarHBondContact O-N 2.86Å; M166-G168 PolarHBondContact O-N 3.17Å; M166-G168 VanDerWaalsContact O-N 3.14Å; M166-Q169 HydrophobicContact CB-CB 4.43Å; M166-Q169 WeakPolarHBondContact O-CB 3.09Å; M166-Q169 VanDerWaalsContact O-CG 3.27Å; M166-Q169 WeakPolarHBondContact O-CG 3.3Å; M166-Q169 PolarHBondContact O-N 3.24Å; M166-Q169 VanDerWaalsContact O-N 3.13Å
167V83.9Confident89.5Confident71 Ų7146.6 Ų46.643%0.4328%0.277SS..G310 helixtrans55.829.3-175.7-157.60000112.3N118 R121 V123 D165N118-V167 HydrophobicContact CB-CG2 3.79Å; R121-V167 HydrophobicContact CB-CG2 4.05Å; R121-V167 PolarHBondContact O-N 2.93Å; V123-V167 HydrophobicContact CG2-CB 4.43Å; V123-V167 HydrophobicContact CG2-CG1 3.87Å; D165-V167 PolarHBondContact O-N 2.86Å
168G80.2Confident89.5Confident30 Ų3048.2 Ų48.231%0.30929%0.29SS..G310 helixtrans79.88.4179.200000115.7K164 D165 M166K164-G168 PolarHBondContact NZ-O 3.16Å; D165-G168 PolarHBondContact O-N 3.36Å; M166-G168 PolarHBondContact O-N 3.17Å; M166-G168 VanDerWaalsContact O-N 3.14Å
169Q83.8Confident89.5Confident122 Ų12244.7 Ų44.757%0.5727%0.269SS*.  trans-66166.4-176.9-69.6-176.74.700113.9K164 M166 G171 G172K164-Q169 VanDerWaalsContact CE-O 3.23Å; K164-Q169 WeakPolarHBondContact CE-O 3.46Å; K164-Q169 PolarHBondContact NZ-O 3.3Å; M166-Q169 HydrophobicContact CB-CB 4.43Å; M166-Q169 WeakPolarHBondContact O-CB 3.09Å; M166-Q169 VanDerWaalsContact O-CG 3.27Å; M166-Q169 WeakPolarHBondContact O-CG 3.3Å; M166-Q169 PolarHBondContact O-N 3.24Å; M166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-G171 PolarHBondContact O-N 3.34Å; Q169-G172 PolarHBondContact O-N 2.83Å
170M77.3Confident89.6Confident200 Ų20045.9 Ų45.999%0.98528%0.276SS*.THydrogen-bonded Turntrans-72.4117.1177-165.9173.3-169.200109.2
171G78.5Confident89.7Confident64 Ų6444 Ų4466%0.6627%0.265SS*.THydrogen-bonded Turntrans116.9-14.4-17300000114.4Q169Q169-G171 PolarHBondContact O-N 3.34Å
172G85.9Confident89.8Confident16 Ų1646.8 Ų46.817%0.16528%0.282CS..  trans-76148.7176.800000114.8D165 Q169D165-G172 WeakPolarHBondContact OD1-CA 3.45Å; Q169-G172 PolarHBondContact O-N 2.83Å
173L91.1Very high89.9Confident64 Ų6445.5 Ų45.534%0.33528%0.276SS..  trans-83.4159.2175.8-53.3172.9000110.8E81 K164 D165E81-L173 HydrophobicContact CB-CB 3.74Å; E81-L173 HydrophobicContact CB-CD1 4.31Å; K164-L173 WeakPolarHBondContact CA-O 3.48Å; D165-L173 PolarHBondContact N-O 3.45Å; D165-L173 PolarHBondContact OD1-N 2.82Å; D165-L173 WeakPolarHBondContact OD2-CA 3.06Å; D165-L173 WeakPolarHBondContact OD2-CB 3.4Å; D165-L173 PolarHBondContact OD2-N 2.8Å
174S92.9Very high89.9Confident45 Ų4548.6 Ų48.632%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-143.7128.4-174.469.90000113.2Q162 A163Q162-S174 PolarHBondContact NE2-OG 3.11Å; A163-S174 CarbonylContact O-C 3.54Å; A163-S174 WeakPolarHBondContact O-CA 3.37Å
175G92.8Very high90Very high9 Ų947.5 Ų47.59%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-96.8153.4164.700000111.6P82 Q162 A163P82-G175 VanDerWaalsContact O-CA 3.3Å; P82-G175 WeakPolarHBondContact O-CA 3.38Å; Q162-G175 WeakPolarHBondContact CA-O 3.39Å; A163-G175 PolarHBondContact N-O 3.25Å; A163-G175 PolarHBondContact O-N 3.13Å
176T94.1Very high89.9Confident83 Ų8348.5 Ų48.551%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-129.2146176.558.10000111.6I127 V160 I161 Q162I127-T176 HydrophobicContact CD1-CG2 3.82Å; V160-T176 HydrophobicContact CG1-CG2 4.5Å; I161-T176 CarbonylContact O-C 3.23Å; I161-T176 VanDerWaalsContact O-CA 3.27Å; I161-T176 WeakPolarHBondContact O-CA 3.44Å; Q162-T176 HydrophobicContact CB-CG2 4.21Å; Q162-T176 HydrophobicContact CG-CG2 4.19Å
177T94.4Very high90.1Very high14 Ų1446.5 Ų46.59%0.08629%0.288CS..EExtended strand (participates in β ladder)trans-136.8154.5171.7-169.70000110.5F84 G87 Y89 V160 I161F84-T177 HydrophobicContact CB-CG2 4.36Å; F84-T177 HydrophobicContact CD1-CG2 3.54Å; F84-T177 HydrophobicContact CD2-CG2 3.73Å; F84-T177 HydrophobicContact CE1-CG2 3.57Å; F84-T177 HydrophobicContact CE2-CG2 3.76Å; F84-T177 HydrophobicContact CG-CG2 3.61Å; F84-T177 HydrophobicContact CZ-CG2 3.67Å; G87-T177 WeakPolarHBondContact CA-OG1 3.36Å; Y89-T177 HydrophobicContact CD2-CG2 4.01Å; Y89-T177 HydrophobicContact CE2-CG2 3.89Å; V160-T177 WeakPolarHBondContact CA-O 3.35Å; I161-T177 HydrophobicContact CB-CG2 4.19Å; I161-T177 PolarHBondContact N-O 2.99Å; I161-T177 PolarHBondContact O-N 3.49Å
178S94.6Very high90.2Very high46 Ų4644.4 Ų44.432%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-96.2139.1172.759.80000111.2P88 Y89 L159P88-S178 WeakPolarHBondContact CB-OG 3.43Å; Y89-S178 PolarHBondContact N-O 2.99Å; L159-S178 CarbonylContact O-C 3.58Å; L159-S178 VanDerWaalsContact O-CA 3.31Å; L159-S178 WeakPolarHBondContact O-CA 3.26Å
179V94.6Very high90.6Very high0 Ų045.2 Ų45.20%027%0.272CS..EExtended strand (participates in β ladder)trans-118.9119.2169.7-173.90000108.3Y89 V104 V106 L142 L159 I161 V181Y89-V179 HydrophobicContact CD2-CG2 4.25Å; Y89-V179 HydrophobicContact CG-CG2 4.49Å; Y89-V179 WeakPolarHBondContact O-CA 3.35Å; V104-V179 HydrophobicContact CG1-CG1 3.85Å; V106-V179 HydrophobicContact CG1-CG2 3.94Å; L142-V179 HydrophobicContact CD2-CG1 4.25Å; L159-V179 HydrophobicContact CB-CB 4.41Å; L159-V179 PolarHBondContact N-O 2.87Å; L159-V179 PolarHBondContact O-N 2.79Å; I161-V179 HydrophobicContact CD1-CB 4.38Å; I161-V179 HydrophobicContact CD1-CG2 3.36Å; I161-V179 HydrophobicContact CG1-CG2 3.92Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å
180T96.1Very high90.9Very high25 Ų2540.6 Ų40.615%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-100114.5172.9-59.30000108.6Y89 L90 A91 Q156 Y157 V158Y89-T180 PolarHBondContact O-N 3.45Å; L90-T180 HydrophobicContact CD2-CG2 4.43Å; A91-T180 PolarHBondContact N-O 3.12Å; Q156-T180 VanDerWaalsContact CD-CG2 3.45Å; Q156-T180 HydrophobicContact CG-CG2 3.59Å; Y157-T180 WeakPolarHBondContact O-CA 3.19Å; V158-T180 HydrophobicContact CG2-CG2 4.33Å
181V95.5Very high91.7Very high0 Ų031.1 Ų31.10%021%0.205CC..EExtended strand (participates in β ladder)trans-100120.5178.1-173.60000108.7A91 V93 V103 F133 L142 Q156 Y157 L159 V179A91-V181 CarbonylContact O-C 3.55Å; A91-V181 WeakPolarHBondContact O-CA 3.3Å; V93-V181 HydrophobicContact CG1-CG1 3.76Å; V103-V181 HydrophobicContact CG1-CG1 3.9Å; V103-V181 HydrophobicContact CG1-CG2 3.97Å; F133-V181 HydrophobicContact CE1-CB 4.22Å; F133-V181 HydrophobicContact CE1-CG1 3.84Å; F133-V181 HydrophobicContact CE1-CG2 4.03Å; F133-V181 HydrophobicContact CZ-CB 3.88Å; F133-V181 HydrophobicContact CZ-CG1 3.77Å; F133-V181 HydrophobicContact CZ-CG2 4.01Å; L142-V181 HydrophobicContact CD2-CG2 4.29Å; Q156-V181 WeakPolarHBondContact CA-O 3.43Å; Y157-V181 PolarHBondContact N-O 3.05Å; Y157-V181 PolarHBondContact O-N 2.77Å; L159-V181 HydrophobicContact CD1-CG2 4.11Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å
182T96.1Very high92.4Very high58 Ų5833 Ų3336%0.35619%0.193SC..EExtended strand (participates in β ladder)trans-101.8128.7172.152.70000109.6A91 G92 V93 D155 Q156A91-T182 PolarHBondContact O-N 3.32Å; A91-T182 PolarHBondContact O-OG1 2.86Å; G92-T182 VanDerWaalsContact CA-O 3.31Å; G92-T182 WeakPolarHBondContact CA-O 3.23Å; V93-T182 PolarHBondContact N-O 3.2Å; V93-T182 VanDerWaalsContact N-O 3.1Å; D155-T182 CarbonylContact O-C 3.26Å; D155-T182 WeakPolarHBondContact O-CA 3.26Å; Q156-T182 HydrophobicContact CG-CG2 4.26Å
183L95.6Very high92.9Very high12 Ų1233.1 Ų33.16%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-73.6129.2171.1-66.3-172.4000109.7V93 E95 M149 R151 K154 D155 Y157V93-L183 HydrophobicContact CG1-CD2 3.63Å; V93-L183 CarbonylContact O-C 3.59Å; V93-L183 VanDerWaalsContact O-CA 3.27Å; V93-L183 WeakPolarHBondContact O-CA 3.3Å; E95-L183 HydrophobicContact CB-CD1 4.2Å; M149-L183 HydrophobicContact CB-CD1 4.01Å; M149-L183 HydrophobicContact CB-CD2 4.47Å; M149-L183 HydrophobicContact CE-CD1 4.28Å; M149-L183 HydrophobicContact CE-CD2 3.6Å; M149-L183 HydrophobicContact CE-CG 4.29Å; R151-L183 HydrophobicContact CB-CB 4.03Å; R151-L183 HydrophobicContact CB-CD1 4.4Å; R151-L183 HydrophobicContact CG-CB 4.06Å; K154-L183 WeakPolarHBondContact O-CD1 3.42Å; D155-L183 PolarHBondContact O-N 3.38Å; Y157-L183 HydrophobicContact CD2-CG 4.48Å; Y157-L183 HydrophobicContact CE2-CD1 3.87Å; Y157-L183 HydrophobicContact CE2-CG 4.08Å
184T93.7Very high93.1Very high65 Ų6534 Ų3440%0.39921%0.205SC..EExtended strand (participates in β ladder)trans-90.6136.2169.661.40000109.1V93 P94 E95V93-T184 PolarHBondContact O-N 3.09Å; P94-T184 WeakPolarHBondContact CA-O 3.1Å; P94-T184 WeakPolarHBondContact CA-OG1 3.24Å; E95-T184 PolarHBondContact N-O 2.96Å; E95-T184 VanDerWaalsContact N-O 3.1Å
185D92.3Very high93.2Very high29 Ų2937.3 Ų37.316%0.15522%0.215CC..PPolyproline II helixtrans-60.2140.5-176.4-164.373.1000112.8E95 R151 I222 N225E95-D185 WeakPolarHBondContact OE1-CA 3.3Å; R151-D185 WeakPolarHBondContact CD-OD1 3.04Å; R151-D185 IonicContact CZ-OD1 3.49Å; R151-D185 IonicContact NE-OD1 3.1Å; R151-D185 PolarHBondContact NE-OD1 3.05Å; R151-D185 IonicContact NH2-OD1 2.64Å; D185-I222 HydrophobicContact CB-CD1 4.11Å; D185-I222 HydrophobicContact CB-CG1 3.54Å; D185-I222 VanDerWaalsContact CG-CG1 3.4Å; D185-I222 WeakPolarHBondContact OD1-CG1 3.3Å; D185-I222 PolarHBondContact OD1-N 2.72Å; D185-I222 PolarHBondContact OD2-N 3.05Å; D185-N225 VanDerWaalsContact OD2-CB 3.29Å; D185-N225 WeakPolarHBondContact OD2-CB 3.4Å; D185-N225 PolarHBondContact OD2-ND2 2.69Å
186V89.3Confident93.3Very high20 Ų2046.1 Ų46.112%0.12125%0.251CS..  trans-126.1144.1172.6174.40000108P94 E95 D188 F283P94-V186 HydrophobicContact CB-CG2 3.94Å; E95-V186 HydrophobicContact CG-CB 3.77Å; E95-V186 HydrophobicContact CG-CG2 3.83Å; E95-V186 PolarHBondContact OE1-N 2.81Å; V186-D188 VanDerWaalsContact C-N 3.29Å; V186-D188 PolarHBondContact O-N 3.08Å; V186-F283 HydrophobicContact CG1-CD2 3.86Å; V186-F283 HydrophobicContact CG1-CE1 4.05Å; V186-F283 HydrophobicContact CG1-CE2 3.07Å; V186-F283 HydrophobicContact CG1-CZ 3.2Å
187N89.3Confident93.3Very high4 Ų445.5 Ų45.52%0.02125%0.25CS..SBendtrans-77.578.9-178.7-170.1-14.7000111.7N189 D221 N225 N278 F289N187-N189 PolarHBondContact OD1-O 3.37Å; N187-D221 VanDerWaalsContact CA-OD2 3.26Å; N187-D221 WeakPolarHBondContact CA-OD2 3.3Å; N187-D221 PolarHBondContact OD1-OD2 3.17Å; N187-D221 VanDerWaalsContact OD1-OD2 3.04Å; N187-N225 HydrophobicContact CB-CB 3.88Å; N187-N278 PolarHBondContact ND2-O 1.97Å; N187-F289 WeakPolarHBondContact O-CE1 3.31Å; N187-F289 WeakPolarHBondContact OD1-CE1 3.09Å
188D87.2Confident93.5Very high27 Ų2746.5 Ų46.514%0.14425%0.253CS..  trans-109.8-9177.378.5-36.1000113.3M96 V186 F283 L286M96-D188 HydrophobicContact SD-CB 3.97Å; V186-D188 VanDerWaalsContact C-N 3.29Å; V186-D188 PolarHBondContact O-N 3.08Å; D188-F283 HydrophobicContact CB-CD1 4.07Å; D188-F283 HydrophobicContact CB-CG 4.37Å; D188-L286 HydrophobicContact CB-CD1 4.16Å
189N88.1Confident93.6Very high47 Ų4751 Ų5125%0.25127%0.268SS..  trans-106.5126.8174.5-61.8-82.1000112.2N187 A220 D221N187-N189 PolarHBondContact OD1-O 3.37Å; N189-A220 HydrophobicContact CB-CB 3.97Å; N189-D221 VanDerWaalsContact CB-OD1 3.25Å; N189-D221 WeakPolarHBondContact CB-OD1 3.49Å; N189-D221 PolarHBondContact N-OD1 3.04Å; N189-D221 PolarHBondContact N-OD2 3.38Å; N189-D221 PolarHBondContact ND2-OD1 2.82Å
190P89.9Confident93.7Very high25 Ų2554.2 Ų54.216%0.16228%0.281CS..  trans-89.4158.417536-37.2000112.3R192 F289P190-R192 PolarHBondContact O-N 2.98Å; P190-F289 HydrophobicContact CB-CD1 4.31Å
191P93.6Very high93.7Very high0 Ų057.6 Ų57.60%030%0.302CS..  trans-64.5135.8177.826.9-36.8000110A217 A218 D219 M228 A274 N276 D291P191-A217 HydrophobicContact CB-CB 3.85Å; P191-A218 WeakPolarHBondContact CA-O 3.4Å; P191-D219 WeakPolarHBondContact CD-OD2 3.31Å; P191-M228 HydrophobicContact CB-CB 4.5Å; P191-M228 HydrophobicContact CB-CE 4.31Å; P191-M228 HydrophobicContact CB-SD 4.18Å; P191-A274 HydrophobicContact CB-CB 4.2Å; P191-A274 HydrophobicContact CG-CB 4.24Å; P191-N276 VanDerWaalsContact CD-CG 3.48Å; P191-N276 WeakPolarHBondContact CD-OD1 3.3Å; P191-D291 WeakPolarHBondContact O-CB 3.44Å
192R94Very high93.8Very high104 Ų10458.3 Ų58.339%0.39231%0.306SS..EExtended strand (participates in β ladder)trans-126.5129.4179.4-64.5-59.4179.8-156.4-7.5112P190 A217 A218 S290 D291P190-R192 PolarHBondContact O-N 2.98Å; R192-A217 CarbonylContact O-C 3.5Å; R192-A217 WeakPolarHBondContact O-CA 3.37Å; R192-A218 PolarHBondContact N-O 3.46Å; R192-A218 PolarHBondContact O-N 3.22Å; R192-S290 PolarHBondContact NH1-O 3.35Å; R192-D291 IonicContact NH1-OD1 3.17Å
193F96.1Very high93.8Very high19 Ų1960 Ų608%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-76.3137.9172-71.8-75.2000110.8H195 Y198 I215 A217 Y230 A274 D291 T293F193-H195 PolarHBondContact O-N 3.38Å; F193-Y198 HydrophobicContact CB-CE2 4.5Å; F193-Y198 HydrophobicContact CD1-CE2 4.2Å; F193-I215 HydrophobicContact CE1-CB 4.49Å; F193-I215 HydrophobicContact CE1-CD1 3.96Å; F193-I215 HydrophobicContact CZ-CD1 4.25Å; F193-A217 HydrophobicContact CD1-CB 3.96Å; F193-A217 HydrophobicContact CD2-CB 4.47Å; F193-A217 HydrophobicContact CE1-CB 3.94Å; F193-A217 HydrophobicContact CE2-CB 4.45Å; F193-A217 HydrophobicContact CG-CB 4.24Å; F193-A217 HydrophobicContact CZ-CB 4.2Å; F193-Y230 HydrophobicContact CE1-CD1 4.49Å; F193-Y230 AromaticContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CZ-CD1 4.13Å; F193-Y230 AromaticContact CZ-CE1 3.82Å; F193-Y230 HydrophobicContact CZ-CE1 3.82Å; F193-A274 HydrophobicContact CE2-CB 3.72Å; F193-A274 HydrophobicContact CZ-CB 3.6Å; F193-D291 HydrophobicContact CD2-CB 4.11Å; F193-D291 WeakPolarHBondContact CE2-O 3.22Å; F193-D291 PolarHBondContact N-OD2 2.77Å; F193-T293 HydrophobicContact CD1-CG2 3.73Å; F193-T293 HydrophobicContact CD2-CG2 3.78Å; F193-T293 HydrophobicContact CE1-CG2 3.7Å; F193-T293 HydrophobicContact CE2-CG2 3.74Å; F193-T293 HydrophobicContact CG-CG2 3.76Å; F193-T293 HydrophobicContact CZ-CG2 3.7Å
194A95.2Very high93.8Very high83 Ų8359.9 Ų59.969%0.68631%0.312SS*.SBendtrans-64.5-29.4175.300000112.5Y198A194-Y198 PolarHBondContact N-OH 3.07Å
195H95.1Very high93.8Very high113 Ų11360.3 Ų60.352%0.52332%0.318SS..  trans-130.6143.4-178.9-52.987.1000111.7F193 S197 Y198 T293F193-H195 PolarHBondContact O-N 3.38Å; H195-S197 PolarHBondContact O-N 2.82Å; H195-Y198 HydrophobicContact CB-CE1 4.11Å; H195-Y198 HydrophobicContact CB-CE2 3.98Å; H195-Y198 PolarHBondContact N-OH 3.22Å; H195-Y198 AromaticContact ND1-CE1 3.52Å; H195-Y198 AromaticContact ND1-CZ 3.7Å; H195-Y198 WeakPolarHBondContact O-CE2 3.37Å; H195-T293 PolarHBondContact O-OG1 3.16Å
196K93.8Very high94Very high195 Ų19560.9 Ų60.985%0.84832%0.32SS*.SBendtrans-70-22.1173.8-65-173.5177.1-176.60113.3T293 S294K196-T293 VanDerWaalsContact C-OG1 3.26Å; K196-T293 PolarHBondContact O-OG1 3.5Å; K196-S294 PolarHBondContact O-N 3.38Å; K196-S294 VanDerWaalsContact O-N 3.08Å
197S96Very high94.4Very high70 Ų7064 Ų6449%0.4934%0.341SS..EExtended strand (participates in β ladder)trans-149140.1173.663.40000112.4H195 S294H195-S197 PolarHBondContact O-N 2.82Å; S197-S294 CarbonylContact C-O 3.57Å; S197-S294 WeakPolarHBondContact CA-O 3.46Å; S197-S294 WeakPolarHBondContact CB-O 3.01Å
198Y96.6Very high94.7Very high35 Ų3566.9 Ų66.914%0.13736%0.358CS..EExtended strand (participates in β ladder)trans-113.4147.6172.3-62-96000109.7F193 A194 H195 Y200 I215 T293 S294 V295 K296F193-Y198 HydrophobicContact CB-CE2 4.5Å; F193-Y198 HydrophobicContact CD1-CE2 4.2Å; A194-Y198 PolarHBondContact N-OH 3.07Å; H195-Y198 HydrophobicContact CB-CE1 4.11Å; H195-Y198 HydrophobicContact CB-CE2 3.98Å; H195-Y198 PolarHBondContact N-OH 3.22Å; H195-Y198 AromaticContact ND1-CE1 3.52Å; H195-Y198 AromaticContact ND1-CZ 3.7Å; H195-Y198 WeakPolarHBondContact O-CE2 3.37Å; Y198-Y200 HydrophobicContact CG-CE2 4.44Å; Y198-I215 HydrophobicContact CD2-CG2 4.26Å; Y198-I215 HydrophobicContact CG-CG2 4.22Å; Y198-T293 HydrophobicContact CD2-CG2 4.11Å; Y198-T293 HydrophobicContact CE2-CG2 4.07Å; Y198-S294 PolarHBondContact N-O 2.76Å; Y198-V295 HydrophobicContact CD2-CG2 4.49Å; Y198-V295 WeakPolarHBondContact O-CA 3.41Å; Y198-K296 PolarHBondContact O-N 2.77Å
199Q96.8Very high95.2Very high139 Ų13971.1 Ų71.165%0.6538%0.377SS*.EExtended strand (participates in β ladder)trans-127.2129175.7-175.6172.7-10.100109.7K296Q199-K296 CarbonylContact C-O 3.43Å; Q199-K296 VanDerWaalsContact CA-O 3.3Å; Q199-K296 WeakPolarHBondContact CA-O 3.33Å; Q199-K296 HydrophobicContact CG-CB 4.4Å
200Y96.8Very high95.6Very high68 Ų6870.4 Ų70.427%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-127.3149.6177.1-63.3-79.2000109.4Y198 A213 R214 I215 V295 K296 V297 A298Y198-Y200 HydrophobicContact CG-CE2 4.44Å; Y200-A213 HydrophobicContact CD1-CB 4.12Å; Y200-A213 HydrophobicContact CD2-CB 3.42Å; Y200-A213 VanDerWaalsContact CD2-CB 3.42Å; Y200-A213 HydrophobicContact CE1-CB 4.27Å; Y200-A213 HydrophobicContact CE2-CB 3.57Å; Y200-A213 HydrophobicContact CG-CB 3.71Å; Y200-R214 PolarHBondContact OH-O 3.09Å; Y200-I215 HydrophobicContact CE2-CG2 4.09Å; Y200-V295 HydrophobicContact CD2-CG1 3.76Å; Y200-V295 HydrophobicContact CE2-CG1 4.05Å; Y200-K296 PolarHBondContact N-O 3.31Å; Y200-V297 CarbonylContact O-C 3.56Å; Y200-V297 WeakPolarHBondContact O-CA 3.19Å; Y200-A298 PolarHBondContact O-N 3.39Å
201T97.3Very high95.9Very high96 Ų9672.4 Ų72.459%0.58939%0.388SS*.EExtended strand (participates in β ladder)trans-119130.1174.7-59.80000108.7A298 A300T201-A298 VanDerWaalsContact CA-O 3.28Å; T201-A298 WeakPolarHBondContact CA-O 3.43Å; T201-A300 HydrophobicContact CG2-CB 3.91Å
202V97Very high96.1Very high15 Ų1573 Ų739%0.09139%0.391CS..EExtended strand (participates in β ladder)trans-129.6148175.8-66.20000109.5L206 V212 L260 V297 A298 V299 A300V202-L206 HydrophobicContact CB-CD2 4.03Å; V202-L206 HydrophobicContact CG1-CD2 4.03Å; V202-V212 HydrophobicContact CG1-CG1 3.95Å; V202-L260 HydrophobicContact CG2-CD1 3.57Å; V202-V297 HydrophobicContact CG2-CG1 3.6Å; V202-A298 PolarHBondContact N-O 2.87Å; V202-V299 CarbonylContact O-C 3.53Å; V202-V299 WeakPolarHBondContact O-CA 3.49Å; V202-A300 PolarHBondContact O-N 3.38Å
203L96.6Very high96.2Very high94 Ų9468.2 Ų68.249%0.49237%0.374SS..EExtended strand (participates in β ladder)trans-71.3148.6172.9-60.1172.6000109.5S205 L206 A300 V302L203-S205 PolarHBondContact O-N 3.14Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.17Å; L203-A300 HydrophobicContact CD2-CB 4.03Å; L203-V302 HydrophobicContact CB-CG2 3.92Å; L203-V302 HydrophobicContact CD2-CG2 3.84Å; L203-V302 HydrophobicContact CG-CG2 4.32Å
204E95.6Very high96.2Very high10 Ų1072.7 Ų72.75%0.04739%0.39CS..THydrogen-bonded Turntrans-65.9-29.7174.275.3-169.911600113.1L206 L260 F262 V299 A300 D301 V302E204-L206 PolarHBondContact O-N 3Å; E204-L260 HydrophobicContact CB-CB 4.19Å; E204-F262 HydrophobicContact CB-CB 4.38Å; E204-F262 VanDerWaalsContact OE2-CB 3.3Å; E204-F262 WeakPolarHBondContact OE2-CB 3.28Å; E204-F262 PolarHBondContact OE2-N 3.09Å; E204-V299 HydrophobicContact CB-CG1 3.61Å; E204-A300 PolarHBondContact N-O 3.15Å; E204-D301 WeakPolarHBondContact OE1-CA 3.11Å; E204-V302 HydrophobicContact CG-CB 4.08Å; E204-V302 HydrophobicContact CG-CG2 4.28Å; E204-V302 PolarHBondContact OE1-N 3.38Å
205S94.5Very high96.3Very high74 Ų7468.9 Ų68.952%0.51736%0.358SS..THydrogen-bonded Turntrans-70.24.1174.162.30000114L203 P207L203-S205 PolarHBondContact O-N 3.14Å; S205-P207 VanDerWaalsContact O-CD 3.3Å; S205-P207 WeakPolarHBondContact O-CD 3.47Å
206L96.5Very high96.3Very high41 Ų4168.3 Ų68.322%0.21536%0.355CS..PPolyproline II helixtrans-60.1120.5176.8-174.370.3000110.1V202 L203 E204 V212 L256V202-L206 HydrophobicContact CB-CD2 4.03Å; V202-L206 HydrophobicContact CG1-CD2 4.03Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.17Å; E204-L206 PolarHBondContact O-N 3Å; L206-V212 HydrophobicContact CD2-CG2 4Å; L206-L256 HydrophobicContact CB-CD2 4.38Å; L206-L256 HydrophobicContact CD2-CD2 4.27Å; L206-L256 HydrophobicContact CG-CD2 4.36Å; L206-L256 WeakPolarHBondContact O-CD2 3.44Å
207P96.6Very high96.3Very high86 Ų8659.1 Ų59.156%0.55832%0.315SS*.PPolyproline II helixtrans-62.1146.5-178.2-24.334.3000112.6S205 S210S205-P207 VanDerWaalsContact O-CD 3.3Å; S205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-S210 WeakPolarHBondContact O-CB 3.43Å; P207-S210 PolarHBondContact O-N 2.84Å; P207-S210 VanDerWaalsContact O-N 3.11Å; P207-S210 PolarHBondContact O-OG 3.17Å
208V96.3Very high96.2Very high63 Ų6359 Ų5938%0.38232%0.318SS..THydrogen-bonded Turntrans-58.2146.2171.5-178.80000110S210 Q257 P259V208-S210 PolarHBondContact O-N 2.9Å; V208-Q257 VanDerWaalsContact CG1-O 3.3Å; V208-Q257 WeakPolarHBondContact CG1-O 3.44Å; V208-P259 HydrophobicContact CG2-CB 4.5Å
209Q96.4Very high96.1Very high117 Ų11758.6 Ų58.655%0.54732%0.318SS..THydrogen-bonded Turntrans71.24.7-169.8-53.2-58.2-34.300115.7L256Q209-L256 WeakPolarHBondContact CA-O 3.37Å; Q209-L256 PolarHBondContact N-O 3.38Å
210S96.9Very high95.9Very high32 Ų3254.4 Ų54.422%0.22431%0.308CS..  trans-74.5153.2171.4-570000112.1P207 V208 V212 I255 L256P207-S210 WeakPolarHBondContact O-CB 3.43Å; P207-S210 PolarHBondContact O-N 2.84Å; P207-S210 VanDerWaalsContact O-N 3.11Å; P207-S210 PolarHBondContact O-OG 3.17Å; V208-S210 PolarHBondContact O-N 2.9Å; S210-V212 PolarHBondContact O-N 2.63Å; S210-I255 WeakPolarHBondContact O-CA 3.49Å; S210-L256 PolarHBondContact O-N 3.33Å
211V97.3Very high95.7Very high67 Ų6751.6 Ų51.641%0.40630%0.297SS..EExtended strand (participates in β ladder)trans-75.5122.6172.6178.10000109.4R214 V253V211-R214 HydrophobicContact CG1-CG 4.16Å; V211-V253 HydrophobicContact CB-CG1 4.35Å; V211-V253 HydrophobicContact CG1-CG1 3.72Å; V211-V253 HydrophobicContact CG2-CG1 3.76Å
212V97.1Very high95.4Very high11 Ų1151.4 Ų51.47%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-88.8-44.1178.4174.70000110.6V202 L206 S210 F241 I254 L256 V297V202-V212 HydrophobicContact CG1-CG1 3.95Å; L206-V212 HydrophobicContact CD2-CG2 4Å; S210-V212 PolarHBondContact O-N 2.63Å; V212-F241 HydrophobicContact CG1-CE1 4.22Å; V212-F241 HydrophobicContact CG2-CD1 4.11Å; V212-F241 HydrophobicContact CG2-CE1 4.02Å; V212-I254 HydrophobicContact CB-CB 4.48Å; V212-I254 HydrophobicContact CB-CG2 4.3Å; V212-I254 PolarHBondContact N-O 3.4Å; V212-L256 HydrophobicContact CG2-CB 3.81Å; V212-V297 HydrophobicContact CG1-CG1 3.76Å; V212-V297 HydrophobicContact CG1-CG2 3.89Å
213A96.1Very high95Very high5 Ų553.6 Ų53.64%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-157.8156.3-177.600000111.3Y200 I254Y200-A213 HydrophobicContact CD1-CB 4.12Å; Y200-A213 HydrophobicContact CD2-CB 3.42Å; Y200-A213 VanDerWaalsContact CD2-CB 3.42Å; Y200-A213 HydrophobicContact CE1-CB 4.27Å; Y200-A213 HydrophobicContact CE2-CB 3.57Å; Y200-A213 HydrophobicContact CG-CB 3.71Å; A213-I254 HydrophobicContact CB-CB 4.4Å; A213-I254 HydrophobicContact CB-CD1 4.11Å; A213-I254 HydrophobicContact CB-CG1 4.46Å; A213-I254 PolarHBondContact O-N 3.46Å
214R96.3Very high94.7Very high112 Ų11252.1 Ų52.142%0.42332%0.315SS..EExtended strand (participates in β ladder)trans-120.9128.3170-67.1173.9176.1-85.5-4.1108Y200 V211 D246 E251 G252 V253Y200-R214 PolarHBondContact OH-O 3.09Å; V211-R214 HydrophobicContact CG1-CG 4.16Å; R214-D246 IonicContact NH1-OD2 3.68Å; R214-E251 WeakPolarHBondContact CD-OE2 3.32Å; R214-E251 IonicContact NH1-OE2 3.27Å; R214-G252 WeakPolarHBondContact CA-O 3.34Å; R214-V253 HydrophobicContact CG-CG2 4.48Å
215I96.3Very high94.3Very high3 Ų353 Ų532%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-127.5145.5177.551.7159.3000109.5F193 Y198 Y200 Y230 I243 E251 G252 I272 T293 V295F193-I215 HydrophobicContact CE1-CB 4.49Å; F193-I215 HydrophobicContact CE1-CD1 3.96Å; F193-I215 HydrophobicContact CZ-CD1 4.25Å; Y198-I215 HydrophobicContact CD2-CG2 4.26Å; Y198-I215 HydrophobicContact CG-CG2 4.22Å; Y200-I215 HydrophobicContact CE2-CG2 4.09Å; I215-Y230 HydrophobicContact CD1-CD1 4.23Å; I215-Y230 HydrophobicContact CD1-CE1 4.41Å; I215-I243 HydrophobicContact CD1-CD1 4.18Å; I215-E251 CarbonylContact O-C 3.58Å; I215-E251 WeakPolarHBondContact O-CA 3.36Å; I215-G252 WeakPolarHBondContact CG1-O 3.18Å; I215-G252 PolarHBondContact N-O 2.76Å; I215-G252 PolarHBondContact O-N 3.09Å; I215-I272 HydrophobicContact CD1-CB 3.99Å; I215-I272 HydrophobicContact CD1-CD1 3.59Å; I215-I272 HydrophobicContact CD1-CG1 4.39Å; I215-I272 HydrophobicContact CD1-CG2 3.45Å; I215-I272 VanDerWaalsContact CD1-CG2 3.45Å; I215-T293 HydrophobicContact CD1-CG2 4.48Å; I215-V295 HydrophobicContact CD1-CG2 4.32Å; I215-V295 HydrophobicContact CG2-CG2 4.02Å
216K94.9Very high94.2Very high102 Ų10250.4 Ų50.444%0.44330%0.303SS..  trans-133.2125.2-179-169164.8178.1159.80110.5Y230 T249 E251K216-Y230 WeakPolarHBondContact CA-OH 3.42Å; K216-T249 WeakPolarHBondContact CE-O 3.41Å; K216-T249 PolarHBondContact NZ-O 3.49Å; K216-E251 HydrophobicContact CB-CG 4.17Å; K216-E251 HydrophobicContact CD-CG 3.96Å; K216-E251 HydrophobicContact CG-CG 4.33Å
217A95.3Very high94Very high1 Ų151.5 Ų51.51%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-87.9147.7159.700000108.9P191 R192 F193 M228 Y230 A274P191-A217 HydrophobicContact CB-CB 3.85Å; R192-A217 CarbonylContact O-C 3.5Å; R192-A217 WeakPolarHBondContact O-CA 3.37Å; F193-A217 HydrophobicContact CD1-CB 3.96Å; F193-A217 HydrophobicContact CD2-CB 4.47Å; F193-A217 HydrophobicContact CE1-CB 3.94Å; F193-A217 HydrophobicContact CE2-CB 4.45Å; F193-A217 HydrophobicContact CG-CB 4.24Å; F193-A217 HydrophobicContact CZ-CB 4.2Å; A217-M228 HydrophobicContact CB-SD 3.85Å; A217-M228 WeakPolarHBondContact O-CE 3.48Å; A217-Y230 HydrophobicContact CB-CE1 4.48Å; A217-Y230 PolarHBondContact N-OH 3.41Å; A217-A274 HydrophobicContact CB-CB 3.78Å
218A93.9Very high93.7Very high68 Ų6847.8 Ų47.856%0.56228%0.282SS*.EExtended strand (participates in β ladder)trans-102.6134.1175.400000109P191 R192P191-A218 WeakPolarHBondContact CA-O 3.4Å; R192-A218 PolarHBondContact N-O 3.46Å; R192-A218 PolarHBondContact O-N 3.22Å
219D93.2Very high93.6Very high27 Ų2747.2 Ų47.214%0.14428%0.277CS..  trans-119.6138.6172.4-159.2-51.2000107.9P191 D221 A226 M228 N276P191-D219 WeakPolarHBondContact CD-OD2 3.31Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D219-D221 VanDerWaalsContact OD1-N 3.07Å; D219-A226 HydrophobicContact CB-CB 3.96Å; D219-M228 HydrophobicContact CB-CE 3.78Å; D219-N276 PolarHBondContact OD2-ND2 2.81Å
220A92.5Very high93.6Very high51 Ų5142.4 Ų42.442%0.42125%0.254SS..SBendtrans-86.6-19-174.700000112.7R151 E152 N189R151-A220 PolarHBondContact NH2-O 3.26Å; E152-A220 HydrophobicContact CG-CB 3.77Å; N189-A220 HydrophobicContact CB-CB 3.97Å
221D92.6Very high93.5Very high8 Ų846.7 Ų46.74%0.04327%0.265CS..SBendtrans-69.2179.3179.2-62.6-12000111.2N187 N189 D219 N225 A226N187-D221 VanDerWaalsContact CA-OD2 3.26Å; N187-D221 WeakPolarHBondContact CA-OD2 3.3Å; N187-D221 PolarHBondContact OD1-OD2 3.17Å; N187-D221 VanDerWaalsContact OD1-OD2 3.04Å; N189-D221 VanDerWaalsContact CB-OD1 3.25Å; N189-D221 WeakPolarHBondContact CB-OD1 3.49Å; N189-D221 PolarHBondContact N-OD1 3.04Å; N189-D221 PolarHBondContact N-OD2 3.38Å; N189-D221 PolarHBondContact ND2-OD1 2.82Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D219-D221 VanDerWaalsContact OD1-N 3.07Å; D221-N225 HydrophobicContact CB-CB 3.73Å; D221-A226 HydrophobicContact CB-CB 4.25Å; D221-A226 VanDerWaalsContact O-CB 3.28Å; D221-A226 WeakPolarHBondContact O-CB 3.11Å
222I91.5Very high93.4Very high92 Ų9245.9 Ų45.947%0.47226%0.258SS..  trans-126.8156.117959.5164.3000114D185 S224 N225D185-I222 HydrophobicContact CB-CD1 4.11Å; D185-I222 HydrophobicContact CB-CG1 3.54Å; D185-I222 VanDerWaalsContact CG-CG1 3.4Å; D185-I222 WeakPolarHBondContact OD1-CG1 3.3Å; D185-I222 PolarHBondContact OD1-N 2.72Å; D185-I222 PolarHBondContact OD2-N 3.05Å; I222-S224 PolarHBondContact O-N 3.13Å; I222-N225 PolarHBondContact O-N 2.89Å
223G89.5Confident93.2Very high61 Ų6149.5 Ų49.563%0.62928%0.275SS*.THydrogen-bonded Turntrans60.4-128.3176.600000112.2N225 A226G223-N225 PolarHBondContact O-N 2.95Å; G223-A226 PolarHBondContact O-N 2.87Å
224S88.7Confident92.9Very high63 Ų6352.9 Ų52.944%0.44129%0.292SS..THydrogen-bonded Turntrans-69-18.3-176.255.10000114.4I222 N278I222-S224 PolarHBondContact O-N 3.13Å; S224-N278 PolarHBondContact O-ND2 3.18Å
225N89.1Confident92.5Very high29 Ų2949.4 Ų49.416%0.15529%0.292CS..SBendtrans-77.4-36.3-179.7-66-16.3000110.6D185 N187 D221 I222 G223 E227 N276D185-N225 VanDerWaalsContact OD2-CB 3.29Å; D185-N225 WeakPolarHBondContact OD2-CB 3.4Å; D185-N225 PolarHBondContact OD2-ND2 2.69Å; N187-N225 HydrophobicContact CB-CB 3.88Å; D221-N225 HydrophobicContact CB-CB 3.73Å; I222-N225 PolarHBondContact O-N 2.89Å; G223-N225 PolarHBondContact O-N 2.95Å; N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 2.78Å; N225-N276 PolarHBondContact O-ND2 2.81Å
226A90.8Very high92Very high19 Ų1952.5 Ų52.516%0.15731%0.308CS..SBendtrans-820.3173.600000115.3D219 D221 G223 M228D219-A226 HydrophobicContact CB-CB 3.96Å; D221-A226 HydrophobicContact CB-CB 4.25Å; D221-A226 VanDerWaalsContact O-CB 3.28Å; D221-A226 WeakPolarHBondContact O-CB 3.11Å; G223-A226 PolarHBondContact O-N 2.87Å; A226-M228 WeakPolarHBondContact O-CE 3.36Å; A226-M228 PolarHBondContact O-N 2.9Å
227E92.1Very high91.5Very high65 Ų6548.4 Ų48.430%0.30430%0.295SS..  trans-69.8129.4173.7-78.8-174.1-157.700110.7N225 N276 R277N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 2.78Å; E227-N276 WeakPolarHBondContact O-CA 3.18Å; E227-R277 HydrophobicContact CB-CB 4.34Å; E227-R277 PolarHBondContact O-N 2.93Å; E227-R277 IonicContact OE2-CZ 3.97Å; E227-R277 IonicContact OE2-NH1 3.02Å; E227-R277 PolarHBondContact OE2-NH1 2.85Å; E227-R277 VanDerWaalsContact OE2-NH1 3.08Å
228M91.9Very high91.1Very high7 Ų754 Ų543%0.03433%0.331CS..EExtended strand (participates in β ladder)trans-128.9143.8-175.564.5-168.777.200112.6P191 A217 D219 A226 Y230 T245 Q250 T275P191-M228 HydrophobicContact CB-CB 4.5Å; P191-M228 HydrophobicContact CB-CE 4.31Å; P191-M228 HydrophobicContact CB-SD 4.18Å; A217-M228 HydrophobicContact CB-SD 3.85Å; A217-M228 WeakPolarHBondContact O-CE 3.48Å; D219-M228 HydrophobicContact CB-CE 3.78Å; A226-M228 WeakPolarHBondContact O-CE 3.36Å; A226-M228 PolarHBondContact O-N 2.9Å; M228-Y230 HydrophobicContact CG-CE2 3.73Å; M228-Y230 HydrophobicContact SD-CE2 4.03Å; M228-Y230 PolarHBondContact SD-OH 3.26Å; M228-T245 WeakPolarHBondContact O-CG2 3.43Å; M228-Q250 VanDerWaalsContact N-OE1 3.1Å; M228-T275 CarbonylContact C-O 3.39Å; M228-T275 VanDerWaalsContact CA-O 3.28Å; M228-T275 WeakPolarHBondContact CA-O 3.22Å
229D93.6Very high91Very high52 Ų5253 Ų5328%0.27833%0.328SS..EExtended strand (participates in β ladder)trans-109.9135.7174.6-72.5-47.6000109.3T275 R277D229-T275 PolarHBondContact N-O 3.42Å; D229-T275 PolarHBondContact O-N 3.03Å; D229-T275 PolarHBondContact O-OG1 3.27Å; D229-R277 IonicContact OD1-CZ 2.82Å; D229-R277 IonicContact OD1-NE 3.08Å; D229-R277 IonicContact OD1-NH2 3.99Å; D229-R277 PolarHBondContact OD1-NH2 2.77Å; D229-R277 IonicContact OD2-CZ 3.03Å; D229-R277 IonicContact OD2-NE 3.73Å; D229-R277 PolarHBondContact OD2-NE 2.83Å; D229-R277 VanDerWaalsContact OD2-NE 3.17Å; D229-R277 IonicContact OD2-NH2 3.61Å
230Y96Very high91Very high15 Ų1553.1 Ų53.16%0.05933%0.328CS..EExtended strand (participates in β ladder)trans-103.8142.2179.1-65.8-98000111.4F193 I215 K216 A217 M228 I243 T245 Q250 G252 I272 E273 A274F193-Y230 HydrophobicContact CE1-CD1 4.49Å; F193-Y230 AromaticContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CZ-CD1 4.13Å; F193-Y230 AromaticContact CZ-CE1 3.82Å; F193-Y230 HydrophobicContact CZ-CE1 3.82Å; I215-Y230 HydrophobicContact CD1-CD1 4.23Å; I215-Y230 HydrophobicContact CD1-CE1 4.41Å; K216-Y230 WeakPolarHBondContact CA-OH 3.42Å; A217-Y230 HydrophobicContact CB-CE1 4.48Å; A217-Y230 PolarHBondContact N-OH 3.41Å; M228-Y230 HydrophobicContact CG-CE2 3.73Å; M228-Y230 HydrophobicContact SD-CE2 4.03Å; M228-Y230 PolarHBondContact SD-OH 3.26Å; Y230-I243 HydrophobicContact CD1-CD1 4.38Å; Y230-I243 HydrophobicContact CG-CD1 4.25Å; Y230-T245 HydrophobicContact CD2-CG2 4.09Å; Y230-T245 HydrophobicContact CE2-CG2 4.24Å; Y230-T245 PolarHBondContact N-OG1 3.13Å; Y230-Q250 WeakPolarHBondContact CE2-O 3.28Å; Y230-Q250 PolarHBondContact OH-O 2.82Å; Y230-G252 VanDerWaalsContact CE2-N 3.28Å; Y230-I272 HydrophobicContact CD1-CG2 4.3Å; Y230-E273 WeakPolarHBondContact CA-O 3.36Å; Y230-A274 HydrophobicContact CD1-CB 3.92Å; Y230-A274 HydrophobicContact CE1-CB 3.75Å
231R95.3Very high91.2Very high123 Ų12351.5 Ų51.546%0.46431%0.311SS..EExtended strand (participates in β ladder)trans-140.8142.9173.665.1-178.4-176.2-174.60.6112.7M233 I272 E273R231-M233 HydrophobicContact CG-CG 4.38Å; R231-M233 HydrophobicContact CG-SD 4.14Å; R231-M233 PolarHBondContact NE-SD 2.96Å; R231-M233 PolarHBondContact O-N 3.17Å; R231-I272 WeakPolarHBondContact O-CA 3.49Å; R231-E273 HydrophobicContact CG-CB 3.96Å; R231-E273 IonicContact CZ-OE2 3.85Å; R231-E273 PolarHBondContact N-O 3.37Å; R231-E273 IonicContact NE-OE2 3.28Å; R231-E273 PolarHBondContact NE-OE2 2.78Å; R231-E273 VanDerWaalsContact NH2-CD 3.34Å; R231-E273 IonicContact NH2-OE1 2.86Å; R231-E273 PolarHBondContact NH2-OE1 3.49Å; R231-E273 IonicContact NH2-OE2 3.87Å; R231-E273 PolarHBondContact NH2-OE2 2.89Å; R231-E273 PolarHBondContact O-N 3.44Å
232I95.8Very high91.4Very high50 Ų5054.7 Ų54.726%0.25633%0.328SS..EExtended strand (participates in β ladder)trans-80.9114.4166.6-62.2164.7000106.6F241 I243 I272I232-F241 HydrophobicContact CD1-CB 4.02Å; I232-I243 HydrophobicContact CD1-CB 4.08Å; I232-I243 HydrophobicContact CD1-CG2 4.17Å; I232-I243 HydrophobicContact CG1-CB 3.99Å; I232-I243 HydrophobicContact CG1-CG2 3.72Å; I232-I272 HydrophobicContact CG1-CG1 4.4Å
233M93.1Very high91.6Very high86 Ų8651 Ų5142%0.42431%0.309SS..EExtended strand (participates in β ladder)trans-77.8-51.3-178.2-75.8-67.8-85.300111.2R231 R271 E273R231-M233 HydrophobicContact CG-CG 4.38Å; R231-M233 HydrophobicContact CG-SD 4.14Å; R231-M233 PolarHBondContact NE-SD 2.96Å; R231-M233 PolarHBondContact O-N 3.17Å; M233-R271 PolarHBondContact N-O 3.17Å; M233-E273 WeakPolarHBondContact CE-OE2 2.94Å; M233-E273 HydrophobicContact CG-CB 3.78Å; M233-E273 HydrophobicContact SD-CB 4.48Å
234D89.3Confident91.9Very high76 Ų7650.8 Ų50.841%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-161176.1172.265.4-1.5000109.6R271D234-R271 PolarHBondContact O-N 2.95Å; D234-R271 WeakPolarHBondContact OD1-CB 3.48Å; D234-R271 WeakPolarHBondContact OD1-CG 3.06Å; D234-R271 IonicContact OD1-CZ 3.64Å; D234-R271 IonicContact OD1-NE 3.38Å; D234-R271 PolarHBondContact OD1-NE 3.04Å; D234-R271 IonicContact OD1-NH2 3.76Å; D234-R271 PolarHBondContact OD1-NH2 2.64Å; D234-R271 VanDerWaalsContact OD1-NH2 3.1Å; D234-R271 IonicContact OD2-CZ 3.26Å; D234-R271 IonicContact OD2-NE 3.83Å; D234-R271 PolarHBondContact OD2-NE 3.4Å; D234-R271 IonicContact OD2-NH2 3.5Å; D234-R271 PolarHBondContact OD2-NH2 2.01Å
235G87Confident92.3Very high40 Ų4049.5 Ų49.541%0.41229%0.286SS..EExtended strand (participates in β ladder)trans160.2-178.6179.600000112A269G235-A269 CarbonylContact C-O 3.55Å; G235-A269 WeakPolarHBondContact CA-O 3.45Å
236D87.1Confident92.6Very high68 Ų6850.2 Ų50.236%0.36429%0.29SS..SBendtrans-70142.6173.7-66.3-49.9000111.2R265 F268 A269D236-R265 IonicContact OD1-NH1 3.07Å; D236-F268 HydrophobicContact CB-CB 4.2Å; D236-F268 HydrophobicContact CB-CD1 3.8Å; D236-F268 HydrophobicContact CB-CG 4.44Å; D236-A269 PolarHBondContact N-O 2.79Å; D236-A269 PolarHBondContact OD2-N 3.36Å
237G83.1Confident92.6Very high16 Ų1658.1 Ų58.117%0.16532%0.32CS..SBendtrans7370.7173.300000113.9G239 M240G237-G239 PolarHBondContact O-N 2.85Å; G237-M240 WeakPolarHBondContact O-CB 3.29Å; G237-M240 VanDerWaalsContact O-CG 3.25Å; G237-M240 WeakPolarHBondContact O-CG 3.16Å; G237-M240 PolarHBondContact O-N 2.84Å
238P87.7Confident92.5Very high118 Ų11862.4 Ų62.477%0.76635%0.345SS*.THydrogen-bonded Turntrans-57.4124.4178.624.3-33.6000111.3M240P238-M240 VanDerWaalsContact C-N 3.27Å; P238-M240 PolarHBondContact O-N 3.41Å
239G90.5Very high92.6Very high48 Ų4864.6 Ų64.650%0.49536%0.359SS..THydrogen-bonded Turntrans72.711.7-177.300000115.1G237 Q257G237-G239 PolarHBondContact O-N 2.85Å; G239-Q257 WeakPolarHBondContact O-CB 3.43Å
240M94.3Very high92.5Very high28 Ų2864.1 Ų64.114%0.13836%0.355CS..THydrogen-bonded Turntrans-76.1-33.6169.4-66.1-68.6-64.900111.6G237 P238 Q257 K258 P259 L260 F268G237-M240 WeakPolarHBondContact O-CB 3.29Å; G237-M240 VanDerWaalsContact O-CG 3.25Å; G237-M240 WeakPolarHBondContact O-CG 3.16Å; G237-M240 PolarHBondContact O-N 2.84Å; P238-M240 VanDerWaalsContact C-N 3.27Å; P238-M240 PolarHBondContact O-N 3.41Å; M240-Q257 PolarHBondContact O-N 2.96Å; M240-K258 HydrophobicContact CE-CB 3.99Å; M240-K258 HydrophobicContact SD-CB 3.54Å; M240-K258 VanDerWaalsContact SD-CB 3.54Å; M240-K258 HydrophobicContact SD-CD 3.64Å; M240-K258 HydrophobicContact SD-CG 4.19Å; M240-P259 WeakPolarHBondContact CE-O 3.14Å; M240-L260 HydrophobicContact CE-CD2 4.05Å; M240-F268 HydrophobicContact CE-CE1 4.46Å; M240-F268 HydrophobicContact CE-CZ 4.1Å; M240-F268 HydrophobicContact CG-CE1 4.23Å
241F96.5Very high92.5Very high17 Ų1765.8 Ų65.88%0.07536%0.364CS..EExtended strand (participates in β ladder)trans-125.6146.9-177.9-54-81.9000110.7V212 I232 I254 I255 L256 L260 F268 L270V212-F241 HydrophobicContact CG1-CE1 4.22Å; V212-F241 HydrophobicContact CG2-CD1 4.11Å; V212-F241 HydrophobicContact CG2-CE1 4.02Å; I232-F241 HydrophobicContact CD1-CB 4.02Å; F241-I254 HydrophobicContact CB-CG2 4.01Å; F241-I254 HydrophobicContact CD1-CG2 4.09Å; F241-I254 HydrophobicContact CG-CG2 4.34Å; F241-I255 WeakPolarHBondContact CA-O 3.29Å; F241-L256 HydrophobicContact CD1-CD1 4.11Å; F241-L256 HydrophobicContact CE1-CD1 3.73Å; F241-L256 HydrophobicContact CZ-CD1 4.4Å; F241-L260 HydrophobicContact CZ-CD2 4.16Å; F241-F268 HydrophobicContact CE2-CB 3.83Å; F241-F268 AromaticContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD2 4.04Å; F241-F268 HydrophobicContact CE2-CE1 4.28Å; F241-F268 AromaticContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CZ-CB 4.22Å; F241-F268 HydrophobicContact CZ-CD1 4.36Å; F241-F268 AromaticContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CE2 4.34Å; F241-F268 AromaticContact CZ-CG 3.88Å; F241-F268 HydrophobicContact CZ-CG 3.88Å; F241-L270 HydrophobicContact CB-CD1 4.16Å; F241-L270 HydrophobicContact CD2-CD1 3.9Å; F241-L270 HydrophobicContact CD2-CD2 3.82Å; F241-L270 HydrophobicContact CD2-CG 4.4Å; F241-L270 HydrophobicContact CE2-CD1 4.48Å; F241-L270 HydrophobicContact CE2-CD2 4.32Å; F241-L270 HydrophobicContact CG-CD1 3.95Å
242N96.2Very high92.6Very high75 Ų7559.9 Ų59.940%0.40134%0.341SS..EExtended strand (participates in β ladder)trans-119.8155.9166.7-173.227.4000109I254 I255 Q257N242-I254 CarbonylContact O-C 3.52Å; N242-I254 WeakPolarHBondContact O-CA 3.4Å; N242-I255 PolarHBondContact N-O 3.47Å; N242-I255 PolarHBondContact O-N 3.34Å; N242-Q257 HydrophobicContact CB-CG 3.78Å
243I96.9Very high92.7Very high14 Ų1457.9 Ų57.97%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-125.3137.7171.6-168.9164.4000110.3I215 Y230 I232 V253 I254 I272I215-I243 HydrophobicContact CD1-CD1 4.18Å; Y230-I243 HydrophobicContact CD1-CD1 4.38Å; Y230-I243 HydrophobicContact CG-CD1 4.25Å; I232-I243 HydrophobicContact CD1-CB 4.08Å; I232-I243 HydrophobicContact CD1-CG2 4.17Å; I232-I243 HydrophobicContact CG1-CB 3.99Å; I232-I243 HydrophobicContact CG1-CG2 3.72Å; I243-V253 WeakPolarHBondContact CA-O 3.38Å; I243-I254 HydrophobicContact CD1-CG1 4.06Å; I243-I254 HydrophobicContact CG1-CG1 4.32Å; I243-I272 HydrophobicContact CD1-CD1 4.18Å; I243-I272 HydrophobicContact CD1-CG2 3.7Å
244T96.1Very high92.9Very high57 Ų5753.8 Ų53.835%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-131.5142.8175.656.60000110.1V253 I255T244-V253 PolarHBondContact N-O 3.44Å; T244-V253 PolarHBondContact O-N 3.46Å; T244-I255 HydrophobicContact CG2-CD1 4.3Å
245T96.1Very high93.3Very high37 Ų3751.5 Ų51.523%0.22730%0.299CS..EExtended strand (participates in β ladder)trans-79.5124.9171-48.60000110.2M228 Y230 E251M228-T245 WeakPolarHBondContact O-CG2 3.43Å; Y230-T245 HydrophobicContact CD2-CG2 4.09Å; Y230-T245 HydrophobicContact CE2-CG2 4.24Å; Y230-T245 PolarHBondContact N-OG1 3.13Å; T245-E251 WeakPolarHBondContact CA-O 3.37Å
246D95Very high93.7Very high44 Ų4449.6 Ų49.624%0.23528%0.279CS..  trans-73.1122.4168.7-174.3-67.7000109.8R214 D248 T249 Q250 E251 V253R214-D246 IonicContact NH1-OD2 3.68Å; D246-D248 VanDerWaalsContact C-N 3.32Å; D246-D248 PolarHBondContact O-N 3.24Å; D246-D248 PolarHBondContact OD1-N 3.47Å; D246-D248 VanDerWaalsContact OD1-N 3.13Å; D246-T249 VanDerWaalsContact CB-OG1 3.27Å; D246-T249 WeakPolarHBondContact CB-OG1 3.3Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.97Å; D246-Q250 VanDerWaalsContact O-CA 3.25Å; D246-Q250 WeakPolarHBondContact O-CA 3.17Å; D246-Q250 PolarHBondContact O-N 2.58Å; D246-E251 HydrophobicContact CB-CB 4.47Å; D246-E251 PolarHBondContact N-O 2.93Å; D246-V253 HydrophobicContact CB-CG2 4Å
247K90.9Very high94.2Very high184 Ų18449.3 Ų49.380%0.828%0.275SS*.THydrogen-bonded Turntrans-67.3-32.9-171.2-68.8-177.2179.9177.70113.1Q250K247-Q250 PolarHBondContact O-NE2 3.11Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å
248D90.8Very high94.8Very high155 Ų15553.4 Ų53.483%0.82929%0.289SS*.THydrogen-bonded Turntrans-87.2-39.5-173.1-59.2-43.1000110.9D246D246-D248 VanDerWaalsContact C-N 3.32Å; D246-D248 PolarHBondContact O-N 3.24Å; D246-D248 PolarHBondContact OD1-N 3.47Å; D246-D248 VanDerWaalsContact OD1-N 3.13Å
249T92.8Very high95.2Very high53 Ų5352.3 Ų52.333%0.32528%0.282SS..THydrogen-bonded Turntrans-98.3-14.7-174.8610000114.1K216 D246 E251K216-T249 WeakPolarHBondContact CE-O 3.41Å; K216-T249 PolarHBondContact NZ-O 3.49Å; D246-T249 VanDerWaalsContact CB-OG1 3.27Å; D246-T249 WeakPolarHBondContact CB-OG1 3.3Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.97Å; T249-E251 PolarHBondContact O-N 2.88Å
250Q93.1Very high95.4Very high42 Ų4250.6 Ų50.620%0.19626%0.261CS..  trans56.729.8-171.7-62.4-67.1-60.400113M228 Y230 D246 K247M228-Q250 VanDerWaalsContact N-OE1 3.1Å; Y230-Q250 WeakPolarHBondContact CE2-O 3.28Å; Y230-Q250 PolarHBondContact OH-O 2.82Å; D246-Q250 VanDerWaalsContact O-CA 3.25Å; D246-Q250 WeakPolarHBondContact O-CA 3.17Å; D246-Q250 PolarHBondContact O-N 2.58Å; K247-Q250 PolarHBondContact O-NE2 3.11Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å
251E95.6Very high95.3Very high50 Ų5052.4 Ų52.423%0.23427%0.271CS..  trans-89.3141.5173.9-65.8-175.5161.900111.2R214 I215 K216 T245 D246 T249 V253R214-E251 WeakPolarHBondContact CD-OE2 3.32Å; R214-E251 IonicContact NH1-OE2 3.27Å; I215-E251 CarbonylContact O-C 3.58Å; I215-E251 WeakPolarHBondContact O-CA 3.36Å; K216-E251 HydrophobicContact CB-CG 4.17Å; K216-E251 HydrophobicContact CD-CG 3.96Å; K216-E251 HydrophobicContact CG-CG 4.33Å; T245-E251 WeakPolarHBondContact CA-O 3.37Å; D246-E251 HydrophobicContact CB-CB 4.47Å; D246-E251 PolarHBondContact N-O 2.93Å; T249-E251 PolarHBondContact O-N 2.88Å; E251-V253 PolarHBondContact O-N 2.74Å
252G96.4Very high95.2Very high0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-78.6110.8164.800000110.1R214 I215 Y230R214-G252 WeakPolarHBondContact CA-O 3.34Å; I215-G252 WeakPolarHBondContact CG1-O 3.18Å; I215-G252 PolarHBondContact N-O 2.76Å; I215-G252 PolarHBondContact O-N 3.09Å; Y230-G252 VanDerWaalsContact CE2-N 3.28Å
253V97.8Very high94.9Very high8 Ų854 Ų545%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-97.1114.5179.5-172.60000109.1V211 R214 I243 T244 D246 E251 I255V211-V253 HydrophobicContact CB-CG1 4.35Å; V211-V253 HydrophobicContact CG1-CG1 3.72Å; V211-V253 HydrophobicContact CG2-CG1 3.76Å; R214-V253 HydrophobicContact CG-CG2 4.48Å; I243-V253 WeakPolarHBondContact CA-O 3.38Å; T244-V253 PolarHBondContact N-O 3.44Å; T244-V253 PolarHBondContact O-N 3.46Å; D246-V253 HydrophobicContact CB-CG2 4Å; E251-V253 PolarHBondContact O-N 2.74Å; V253-I255 HydrophobicContact CG1-CG1 4.14Å
254I97.5Very high94.7Very high0 Ų058.5 Ų58.50%030%0.304CS..EExtended strand (participates in β ladder)trans-88.4124.7177.3-52.1-179.9000108.7V212 A213 F241 N242 I243 L270 I272 V295V212-I254 HydrophobicContact CB-CB 4.48Å; V212-I254 HydrophobicContact CB-CG2 4.3Å; V212-I254 PolarHBondContact N-O 3.4Å; A213-I254 HydrophobicContact CB-CB 4.4Å; A213-I254 HydrophobicContact CB-CD1 4.11Å; A213-I254 HydrophobicContact CB-CG1 4.46Å; A213-I254 PolarHBondContact O-N 3.46Å; F241-I254 HydrophobicContact CB-CG2 4.01Å; F241-I254 HydrophobicContact CD1-CG2 4.09Å; F241-I254 HydrophobicContact CG-CG2 4.34Å; N242-I254 CarbonylContact O-C 3.52Å; N242-I254 WeakPolarHBondContact O-CA 3.4Å; I243-I254 HydrophobicContact CD1-CG1 4.06Å; I243-I254 HydrophobicContact CG1-CG1 4.32Å; I254-L270 HydrophobicContact CD1-CD1 4.41Å; I254-L270 HydrophobicContact CG2-CD1 4.28Å; I254-I272 HydrophobicContact CD1-CD1 3.29Å; I254-I272 HydrophobicContact CG1-CD1 4.12Å; I254-V295 HydrophobicContact CD1-CB 4.35Å; I254-V295 HydrophobicContact CD1-CG1 4Å; I254-V295 HydrophobicContact CD1-CG2 4.34Å
255I97.1Very high94.5Very high27 Ų2761.1 Ų61.114%0.13831%0.307CS..EExtended strand (participates in β ladder)trans-119.7134-173.4-56.6170.3000109.5S210 F241 N242 T244 V253S210-I255 WeakPolarHBondContact O-CA 3.49Å; F241-I255 WeakPolarHBondContact CA-O 3.29Å; N242-I255 PolarHBondContact N-O 3.47Å; N242-I255 PolarHBondContact O-N 3.34Å; T244-I255 HydrophobicContact CG2-CD1 4.3Å; V253-I255 HydrophobicContact CG1-CG1 4.14Å
256L97.3Very high94.4Very high0 Ų062.6 Ų62.60%032%0.32CS..EExtended strand (participates in β ladder)trans-73.3130.9176.4-171.866.1000111.3L206 Q209 S210 V212 F241 K258 L260L206-L256 HydrophobicContact CB-CD2 4.38Å; L206-L256 HydrophobicContact CD2-CD2 4.27Å; L206-L256 HydrophobicContact CG-CD2 4.36Å; L206-L256 WeakPolarHBondContact O-CD2 3.44Å; Q209-L256 WeakPolarHBondContact CA-O 3.37Å; Q209-L256 PolarHBondContact N-O 3.38Å; S210-L256 PolarHBondContact O-N 3.33Å; V212-L256 HydrophobicContact CG2-CB 3.81Å; F241-L256 HydrophobicContact CD1-CD1 4.11Å; F241-L256 HydrophobicContact CE1-CD1 3.73Å; F241-L256 HydrophobicContact CZ-CD1 4.4Å; L256-K258 WeakPolarHBondContact CD1-O 3.37Å; L256-K258 WeakPolarHBondContact CG-O 3.15Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CD2 3.72Å; L256-L260 HydrophobicContact CD1-CG 3.78Å; L256-L260 HydrophobicContact CD2-CD1 4.17Å; L256-L260 HydrophobicContact CD2-CG 3.97Å
257Q96.4Very high94.4Very high62 Ų6261.8 Ų61.829%0.2932%0.321SS..  trans-110.8-18.8-179-64.3-58.9-47.700113.9V208 G239 M240 N242V208-Q257 VanDerWaalsContact CG1-O 3.3Å; V208-Q257 WeakPolarHBondContact CG1-O 3.44Å; G239-Q257 WeakPolarHBondContact O-CB 3.43Å; M240-Q257 PolarHBondContact O-N 2.96Å; N242-Q257 HydrophobicContact CB-CG 3.78Å
258K95.6Very high94.6Very high103 Ų10353.8 Ų53.845%0.44829%0.286SS..SBendtrans-137.6151179.3-70.9179.3-179175.80109.3M240 L256M240-K258 HydrophobicContact CE-CB 3.99Å; M240-K258 HydrophobicContact SD-CB 3.54Å; M240-K258 VanDerWaalsContact SD-CB 3.54Å; M240-K258 HydrophobicContact SD-CD 3.64Å; M240-K258 HydrophobicContact SD-CG 4.19Å; L256-K258 WeakPolarHBondContact CD1-O 3.37Å; L256-K258 WeakPolarHBondContact CG-O 3.15Å
259P95.5Very high94.8Very high95 Ų9548.1 Ų48.162%0.61726%0.261SS*.  trans-59145.2178.326-34.3000110.7V208 M240V208-P259 HydrophobicContact CG2-CB 4.5Å; M240-P259 WeakPolarHBondContact CE-O 3.14Å
260L95.1Very high95Very high11 Ų1145.8 Ų45.86%0.05825%0.247CC..  trans-87.3153.2172-62.6172.2000108.7V202 E204 M240 F241 L256 F268 V299V202-L260 HydrophobicContact CG2-CD1 3.57Å; E204-L260 HydrophobicContact CB-CB 4.19Å; M240-L260 HydrophobicContact CE-CD2 4.05Å; F241-L260 HydrophobicContact CZ-CD2 4.16Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CD2 3.72Å; L256-L260 HydrophobicContact CD1-CG 3.78Å; L256-L260 HydrophobicContact CD2-CD1 4.17Å; L256-L260 HydrophobicContact CD2-CG 3.97Å; L260-F268 HydrophobicContact CD2-CD2 4.47Å; L260-F268 HydrophobicContact CD2-CE2 3.73Å; L260-F268 HydrophobicContact CD2-CZ 4.19Å; L260-V299 HydrophobicContact CB-CG1 4.28Å; L260-V299 HydrophobicContact CD1-CG2 4.3Å; L260-V299 HydrophobicContact CD2-CG2 4.28Å
261D93.1Very high95.2Very high66 Ų6649 Ų4935%0.35326%0.257SS..  trans-149.1110.1-179.4166.6-16.2000105.6E263 T264 R265D261-E263 WeakPolarHBondContact OD1-CB 3.3Å; D261-E263 PolarHBondContact OD1-N 2.71Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; D261-T264 VanDerWaalsContact CG-OG1 3.25Å; D261-T264 PolarHBondContact OD1-N 3.01Å; D261-T264 PolarHBondContact OD1-OG1 2.83Å; D261-T264 WeakPolarHBondContact OD2-CB 3.08Å; D261-T264 PolarHBondContact OD2-OG1 2.97Å; D261-R265 CarbonylContact O-C 3.56Å; D261-R265 PolarHBondContact O-N 2.91Å
262F93.8Very high95.2Very high60 Ų6046.7 Ų46.726%0.26325%0.246SC..THydrogen-bonded Turntrans-67-41.7-174.6175.3-94.2000111.2E204 T264 R265 S266 V299 D301E204-F262 HydrophobicContact CB-CB 4.38Å; E204-F262 VanDerWaalsContact OE2-CB 3.3Å; E204-F262 WeakPolarHBondContact OE2-CB 3.28Å; E204-F262 PolarHBondContact OE2-N 3.09Å; F262-T264 VanDerWaalsContact C-N 3.29Å; F262-T264 PolarHBondContact O-N 2.93Å; F262-R265 CarbonylContact O-C 3.57Å; F262-R265 VanDerWaalsContact O-C 3.29Å; F262-R265 PolarHBondContact O-N 2.87Å; F262-R265 VanDerWaalsContact O-N 3.16Å; F262-S266 PolarHBondContact O-N 2.8Å; F262-V299 HydrophobicContact CB-CG1 4.18Å; F262-V299 HydrophobicContact CD2-CB 4.35Å; F262-V299 HydrophobicContact CD2-CG1 4.37Å; F262-V299 VanDerWaalsContact CD2-O 3.26Å; F262-V299 WeakPolarHBondContact CD2-O 3.35Å; F262-V299 WeakPolarHBondContact CE2-O 3.17Å; F262-D301 HydrophobicContact CB-CB 4.43Å; F262-D301 HydrophobicContact CD1-CB 3.58Å; F262-D301 HydrophobicContact CD2-CB 3.94Å; F262-D301 HydrophobicContact CE1-CB 3.68Å; F262-D301 HydrophobicContact CE2-CB 4.01Å; F262-D301 HydrophobicContact CG-CB 3.72Å; F262-D301 HydrophobicContact CZ-CB 3.9Å
263E91Very high95.2Very high66 Ų6647.2 Ų47.231%0.30825%0.249SC..THydrogen-bonded Turntrans-60.3-39.6-179.2-71.954.6-120.600110.9D261 P335D261-E263 WeakPolarHBondContact OD1-CB 3.3Å; D261-E263 PolarHBondContact OD1-N 2.71Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; E263-P335 HydrophobicContact CG-CB 4.11Å; E263-P335 WeakPolarHBondContact CG-O 3.36Å
264T90.9Very high95.1Very high108 Ų10846.9 Ų46.966%0.66325%0.246SC*.THydrogen-bonded Turntrans-75.2-47.7173.4-65.40000110.8D261 F262D261-T264 VanDerWaalsContact CG-OG1 3.25Å; D261-T264 PolarHBondContact OD1-N 3.01Å; D261-T264 PolarHBondContact OD1-OG1 2.83Å; D261-T264 WeakPolarHBondContact OD2-CB 3.08Å; D261-T264 PolarHBondContact OD2-OG1 2.97Å; F262-T264 VanDerWaalsContact C-N 3.29Å; F262-T264 PolarHBondContact O-N 2.93Å
265R92.3Very high94.8Very high112 Ų11248.2 Ų48.242%0.42326%0.255SS..  trans-157.7109.9-178-168.4172.9-65.4-159-1.2113.5D236 D261 F262 G267 F268D236-R265 IonicContact OD1-NH1 3.07Å; D261-R265 CarbonylContact O-C 3.56Å; D261-R265 PolarHBondContact O-N 2.91Å; F262-R265 CarbonylContact O-C 3.57Å; F262-R265 VanDerWaalsContact O-C 3.29Å; F262-R265 PolarHBondContact O-N 2.87Å; F262-R265 VanDerWaalsContact O-N 3.16Å; R265-G267 VanDerWaalsContact C-N 3.27Å; R265-G267 WeakPolarHBondContact CD-O 3.3Å; R265-G267 VanDerWaalsContact CG-O 3.3Å; R265-G267 WeakPolarHBondContact CG-O 3.05Å; R265-G267 PolarHBondContact O-N 2.92Å; R265-F268 HydrophobicContact CB-CZ 4.27Å; R265-F268 HydrophobicContact CG-CE1 4.46Å; R265-F268 HydrophobicContact CG-CZ 4.23Å
266S93.6Very high94.4Very high69 Ų6947.1 Ų47.148%0.48325%0.249SC..SBendtrans-76.53179.370.30000116.5F262 V299F262-S266 PolarHBondContact O-N 2.8Å; S266-V299 PolarHBondContact O-N 2.77Å
267G94.8Very high93.8Very high26 Ų2653.6 Ų53.627%0.26827%0.274SS..EExtended strand (participates in β ladder)trans-176.6156.217900000115.9R265 V297R265-G267 VanDerWaalsContact C-N 3.27Å; R265-G267 WeakPolarHBondContact CD-O 3.3Å; R265-G267 VanDerWaalsContact CG-O 3.3Å; R265-G267 WeakPolarHBondContact CG-O 3.05Å; R265-G267 PolarHBondContact O-N 2.92Å; G267-V297 CarbonylContact C-O 3.56Å; G267-V297 WeakPolarHBondContact CA-O 3.42Å
268F96Very high93Very high16 Ų1654.1 Ų54.17%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-133135.7-176.6-60.5-95.5000110.5D236 M240 F241 L260 R265 K296 V297 V299D236-F268 HydrophobicContact CB-CB 4.2Å; D236-F268 HydrophobicContact CB-CD1 3.8Å; D236-F268 HydrophobicContact CB-CG 4.44Å; M240-F268 HydrophobicContact CE-CE1 4.46Å; M240-F268 HydrophobicContact CE-CZ 4.1Å; M240-F268 HydrophobicContact CG-CE1 4.23Å; F241-F268 HydrophobicContact CE2-CB 3.83Å; F241-F268 AromaticContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD2 4.04Å; F241-F268 HydrophobicContact CE2-CE1 4.28Å; F241-F268 AromaticContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CZ-CB 4.22Å; F241-F268 HydrophobicContact CZ-CD1 4.36Å; F241-F268 AromaticContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CE2 4.34Å; F241-F268 AromaticContact CZ-CG 3.88Å; F241-F268 HydrophobicContact CZ-CG 3.88Å; L260-F268 HydrophobicContact CD2-CD2 4.47Å; L260-F268 HydrophobicContact CD2-CE2 3.73Å; L260-F268 HydrophobicContact CD2-CZ 4.19Å; R265-F268 HydrophobicContact CB-CZ 4.27Å; R265-F268 HydrophobicContact CG-CE1 4.46Å; R265-F268 HydrophobicContact CG-CZ 4.23Å; F268-K296 CarbonylContact O-C 3.57Å; F268-K296 WeakPolarHBondContact O-CA 3.4Å; F268-V297 HydrophobicContact CB-CB 4.38Å; F268-V297 PolarHBondContact N-O 3.1Å; F268-V297 PolarHBondContact O-N 3.5Å; F268-V299 HydrophobicContact CD2-CG2 4.02Å; F268-V299 HydrophobicContact CE2-CG2 3.76Å
269A96.2Very high92.1Very high36 Ų3653.6 Ų53.630%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-107.2121.8167.600000110.1G235 D236G235-A269 CarbonylContact C-O 3.55Å; G235-A269 WeakPolarHBondContact CA-O 3.45Å; D236-A269 PolarHBondContact N-O 2.79Å; D236-A269 PolarHBondContact OD2-N 3.36Å
270L96.3Very high91.2Very high4 Ų451.5 Ų51.52%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-110.7137.8177.1-52.3177.8000109.2F241 I254 I272 S294 V295 V297F241-L270 HydrophobicContact CB-CD1 4.16Å; F241-L270 HydrophobicContact CD2-CD1 3.9Å; F241-L270 HydrophobicContact CD2-CD2 3.82Å; F241-L270 HydrophobicContact CD2-CG 4.4Å; F241-L270 HydrophobicContact CE2-CD1 4.48Å; F241-L270 HydrophobicContact CE2-CD2 4.32Å; F241-L270 HydrophobicContact CG-CD1 3.95Å; I254-L270 HydrophobicContact CD1-CD1 4.41Å; I254-L270 HydrophobicContact CG2-CD1 4.28Å; L270-I272 HydrophobicContact CB-CD1 4.46Å; L270-I272 HydrophobicContact CB-CG1 4.29Å; L270-S294 CarbonylContact O-C 3.55Å; L270-S294 WeakPolarHBondContact O-CA 3.31Å; L270-V295 HydrophobicContact CB-CB 4.46Å; L270-V295 PolarHBondContact N-O 2.83Å; L270-V295 PolarHBondContact O-N 2.97Å; L270-V297 HydrophobicContact CD1-CG2 4.48Å
271R96.4Very high90.3Very high111 Ų11155.1 Ų55.142%0.41929%0.289SS..EExtended strand (participates in β ladder)trans-101.6123.3165.5-65.8-161.5-65.8141.7-0.7109.3M233 D234 I292M233-R271 PolarHBondContact N-O 3.17Å; D234-R271 PolarHBondContact O-N 2.95Å; D234-R271 WeakPolarHBondContact OD1-CB 3.48Å; D234-R271 WeakPolarHBondContact OD1-CG 3.06Å; D234-R271 IonicContact OD1-CZ 3.64Å; D234-R271 IonicContact OD1-NE 3.38Å; D234-R271 PolarHBondContact OD1-NE 3.04Å; D234-R271 IonicContact OD1-NH2 3.76Å; D234-R271 PolarHBondContact OD1-NH2 2.64Å; D234-R271 VanDerWaalsContact OD1-NH2 3.1Å; D234-R271 IonicContact OD2-CZ 3.26Å; D234-R271 IonicContact OD2-NE 3.83Å; D234-R271 PolarHBondContact OD2-NE 3.4Å; D234-R271 IonicContact OD2-NH2 3.5Å; D234-R271 PolarHBondContact OD2-NH2 2.01Å; R271-I292 HydrophobicContact CB-CG2 4.45Å
272I96.8Very high89.6Confident0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-120.1130.3-172.7-57.1179.6000108.6I215 Y230 R231 I232 I243 I254 L270 I292 T293 V295I215-I272 HydrophobicContact CD1-CB 3.99Å; I215-I272 HydrophobicContact CD1-CD1 3.59Å; I215-I272 HydrophobicContact CD1-CG1 4.39Å; I215-I272 HydrophobicContact CD1-CG2 3.45Å; I215-I272 VanDerWaalsContact CD1-CG2 3.45Å; Y230-I272 HydrophobicContact CD1-CG2 4.3Å; R231-I272 WeakPolarHBondContact O-CA 3.49Å; I232-I272 HydrophobicContact CG1-CG1 4.4Å; I243-I272 HydrophobicContact CD1-CD1 4.18Å; I243-I272 HydrophobicContact CD1-CG2 3.7Å; I254-I272 HydrophobicContact CD1-CD1 3.29Å; I254-I272 HydrophobicContact CG1-CD1 4.12Å; L270-I272 HydrophobicContact CB-CD1 4.46Å; L270-I272 HydrophobicContact CB-CG1 4.29Å; I272-I292 CarbonylContact O-C 3.56Å; I272-I292 VanDerWaalsContact O-CA 3.31Å; I272-I292 WeakPolarHBondContact O-CA 3.37Å; I272-T293 HydrophobicContact CB-CG2 4.39Å; I272-T293 PolarHBondContact N-O 2.82Å; I272-T293 PolarHBondContact O-N 3.36Å; I272-V295 HydrophobicContact CD1-CB 3.89Å; I272-V295 HydrophobicContact CD1-CG2 3.42Å; I272-V295 VanDerWaalsContact CD1-CG2 3.42Å; I272-V295 HydrophobicContact CG1-CG2 4.25Å
273E95.8Very high88.8Confident12 Ų1256 Ų566%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-107.9135.9174.8-172.1177.2-169.400109.8Y230 R231 M233 T275 S290 D291 I292Y230-E273 WeakPolarHBondContact CA-O 3.36Å; R231-E273 HydrophobicContact CG-CB 3.96Å; R231-E273 IonicContact CZ-OE2 3.85Å; R231-E273 PolarHBondContact N-O 3.37Å; R231-E273 IonicContact NE-OE2 3.28Å; R231-E273 PolarHBondContact NE-OE2 2.78Å; R231-E273 VanDerWaalsContact NH2-CD 3.34Å; R231-E273 IonicContact NH2-OE1 2.86Å; R231-E273 PolarHBondContact NH2-OE1 3.49Å; R231-E273 IonicContact NH2-OE2 3.87Å; R231-E273 PolarHBondContact NH2-OE2 2.89Å; R231-E273 PolarHBondContact O-N 3.44Å; M233-E273 WeakPolarHBondContact CE-OE2 2.94Å; M233-E273 HydrophobicContact CG-CB 3.78Å; M233-E273 HydrophobicContact SD-CB 4.48Å; E273-T275 HydrophobicContact CG-CG2 3.75Å; E273-S290 WeakPolarHBondContact OE1-CB 3Å; E273-S290 PolarHBondContact OE1-OG 3.31Å; E273-D291 VanDerWaalsContact CA-O 3.31Å; E273-D291 WeakPolarHBondContact CA-O 3.2Å; E273-I292 HydrophobicContact CB-CG1 4.07Å; E273-I292 HydrophobicContact CG-CG1 3.92Å
274A95.6Very high88Confident0 Ų057.4 Ų57.40%030%0.304CS..EExtended strand (participates in β ladder)trans-106.1132.216400000108.1P191 F193 A217 Y230 S290 D291P191-A274 HydrophobicContact CB-CB 4.2Å; P191-A274 HydrophobicContact CG-CB 4.24Å; F193-A274 HydrophobicContact CE2-CB 3.72Å; F193-A274 HydrophobicContact CZ-CB 3.6Å; A217-A274 HydrophobicContact CB-CB 3.78Å; Y230-A274 HydrophobicContact CD1-CB 3.92Å; Y230-A274 HydrophobicContact CE1-CB 3.75Å; A274-S290 WeakPolarHBondContact O-CA 3.08Å; A274-S290 VanDerWaalsContact O-CB 3.32Å; A274-S290 WeakPolarHBondContact O-CB 3.36Å; A274-D291 PolarHBondContact N-O 3.49Å; A274-D291 PolarHBondContact O-N 3.2Å
275T91.9Very high87.3Confident29 Ų2957.5 Ų57.518%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-130.4139.6-179.760.80000109.4M228 D229 E273 R277M228-T275 CarbonylContact C-O 3.39Å; M228-T275 VanDerWaalsContact CA-O 3.28Å; M228-T275 WeakPolarHBondContact CA-O 3.22Å; D229-T275 PolarHBondContact N-O 3.42Å; D229-T275 PolarHBondContact O-N 3.03Å; D229-T275 PolarHBondContact O-OG1 3.27Å; E273-T275 HydrophobicContact CG-CG2 3.75Å; T275-R277 PolarHBondContact O-N 2.8Å
276N89.2Confident86.3Confident3 Ų357 Ų572%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-59.4141.2167.7-64.999.7000109.8P191 D219 N225 E227 N278 F289P191-N276 VanDerWaalsContact CD-CG 3.48Å; P191-N276 WeakPolarHBondContact CD-OD1 3.3Å; D219-N276 PolarHBondContact OD2-ND2 2.81Å; N225-N276 PolarHBondContact O-ND2 2.81Å; E227-N276 WeakPolarHBondContact O-CA 3.18Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N276-F289 PolarHBondContact N-O 2.74Å
277R83.3Confident85.2Confident137 Ų13755.1 Ų55.152%0.51731%0.306SS..SBendtrans-66.7-38.5173.1173.9173.4-84.8172.8-6.6111.7E227 D229 T275E227-R277 HydrophobicContact CB-CB 4.34Å; E227-R277 PolarHBondContact O-N 2.93Å; E227-R277 IonicContact OE2-CZ 3.97Å; E227-R277 IonicContact OE2-NH1 3.02Å; E227-R277 PolarHBondContact OE2-NH1 2.85Å; E227-R277 VanDerWaalsContact OE2-NH1 3.08Å; D229-R277 IonicContact OD1-CZ 2.82Å; D229-R277 IonicContact OD1-NE 3.08Å; D229-R277 IonicContact OD1-NH2 3.99Å; D229-R277 PolarHBondContact OD1-NH2 2.77Å; D229-R277 IonicContact OD2-CZ 3.03Å; D229-R277 IonicContact OD2-NE 3.73Å; D229-R277 PolarHBondContact OD2-NE 2.83Å; D229-R277 VanDerWaalsContact OD2-NE 3.17Å; D229-R277 IonicContact OD2-NH2 3.61Å; T275-R277 PolarHBondContact O-N 2.8Å
278N80.8Confident84.4Confident72 Ų7257.9 Ų57.939%0.38532%0.319SS..SBendtrans-111.582.7-171.6-64.3-49.1000111.2N187 S224 N276 D280N187-N278 PolarHBondContact ND2-O 1.97Å; S224-N278 PolarHBondContact O-ND2 3.18Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N278-D280 PolarHBondContact O-N 2.85Å
279I76.2Confident83.8Confident93 Ų9357.7 Ų57.748%0.47732%0.318SS..  trans-79.2120.4-179.9-56.7173.5000110.1L284 F289I279-L284 HydrophobicContact CG2-CD2 3.57Å; I279-L284 HydrophobicContact CG2-CG 4.4Å; I279-F289 HydrophobicContact CD1-CB 4.44Å; I279-F289 HydrophobicContact CG1-CB 4.21Å; I279-F289 HydrophobicContact CG2-CB 4.31Å; I279-F289 HydrophobicContact CG2-CD2 4.35Å; I279-F289 HydrophobicContact CG2-CG 4.22Å
280D75.4Confident83.5Confident51 Ų5157.1 Ų57.127%0.27331%0.312SS..  trans-87.2121.9171-175.2-11.9000111.1N278 N282 F283N278-D280 PolarHBondContact O-N 2.85Å; D280-N282 PolarHBondContact O-N 2.96Å; D280-N282 WeakPolarHBondContact OD1-CB 2.89Å; D280-N282 PolarHBondContact OD1-N 2.99Å; D280-N282 PolarHBondContact OD1-ND2 2.7Å; D280-N282 PolarHBondContact OD2-ND2 3.43Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.44Å; D280-F283 PolarHBondContact O-N 2.73Å; D280-F283 VanDerWaalsContact O-N 3.17Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.05Å
281S78Confident83.4Confident87 Ų8758.9 Ų58.961%0.60832%0.322SS*.THydrogen-bonded Turntrans-56.6-27.4177.757.90000114.9F283S281-F283 VanDerWaalsContact C-N 3.26Å; S281-F283 PolarHBondContact O-N 3.46Å
282N77.3Confident83.4Confident114 Ų11457.1 Ų57.161%0.6132%0.32SS*.THydrogen-bonded Turntrans-68.4-28.6-179.1-63.3-44.9000112.1D280D280-N282 PolarHBondContact O-N 2.96Å; D280-N282 WeakPolarHBondContact OD1-CB 2.89Å; D280-N282 PolarHBondContact OD1-N 2.99Å; D280-N282 PolarHBondContact OD1-ND2 2.7Å; D280-N282 PolarHBondContact OD2-ND2 3.43Å
283F77Confident83.4Confident30 Ų3057.2 Ų57.213%0.13232%0.32CS..THydrogen-bonded Turntrans-103.1-3-173.8-58-75.6000113.5M96 V186 D188 D280 S281 S285 L286 F289M96-F283 HydrophobicContact CE-CE1 4.2Å; M96-F283 HydrophobicContact SD-CD1 4.21Å; M96-F283 HydrophobicContact SD-CE1 3.68Å; V186-F283 HydrophobicContact CG1-CD2 3.86Å; V186-F283 HydrophobicContact CG1-CE1 4.05Å; V186-F283 HydrophobicContact CG1-CE2 3.07Å; V186-F283 HydrophobicContact CG1-CZ 3.2Å; D188-F283 HydrophobicContact CB-CD1 4.07Å; D188-F283 HydrophobicContact CB-CG 4.37Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.44Å; D280-F283 PolarHBondContact O-N 2.73Å; D280-F283 VanDerWaalsContact O-N 3.17Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.05Å; S281-F283 VanDerWaalsContact C-N 3.26Å; S281-F283 PolarHBondContact O-N 3.46Å; F283-S285 PolarHBondContact O-N 2.66Å; F283-L286 HydrophobicContact CB-CD1 4.17Å; F283-L286 HydrophobicContact CD1-CD1 3.85Å; F283-L286 HydrophobicContact CG-CD1 4.48Å; F283-L286 VanDerWaalsContact O-CB 3.31Å; F283-L286 WeakPolarHBondContact O-CB 3.25Å; F283-L286 PolarHBondContact O-N 3.31Å; F283-F289 VanDerWaalsContact C-CE2 3.49Å; F283-F289 HydrophobicContact CB-CE2 4.16Å; F283-F289 HydrophobicContact CB-CZ 3.56Å; F283-F289 VanDerWaalsContact O-CE2 3.28Å; F283-F289 WeakPolarHBondContact O-CE2 3.41Å
284L74.8Confident83.4Confident95 Ų9558.2 Ų58.250%0.49733%0.328SS..G310 helixtrans-51.4-24.3175.3-72.8175.1000114.5I279 L286 F289I279-L284 HydrophobicContact CG2-CD2 3.57Å; I279-L284 HydrophobicContact CG2-CG 4.4Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 2.7Å; L284-F289 HydrophobicContact CD2-CD2 4.16Å
285S75.2Confident83.5Confident110 Ų11058.2 Ų58.277%0.76933%0.328SS*.G310 helixtrans-72.7-17.2176.866.70000114.2F283 G287F283-S285 PolarHBondContact O-N 2.66Å; S285-G287 VanDerWaalsContact C-N 3.35Å
286L71.1Confident83.7Confident103 Ų10362 Ų6254%0.53934%0.343SS..G310 helixtrans-79.8-15.1179.7-63.1178.7000113.2D188 F283 L284D188-L286 HydrophobicContact CB-CD1 4.16Å; F283-L286 HydrophobicContact CB-CD1 4.17Å; F283-L286 HydrophobicContact CD1-CD1 3.85Å; F283-L286 HydrophobicContact CG-CD1 4.48Å; F283-L286 VanDerWaalsContact O-CB 3.31Å; F283-L286 WeakPolarHBondContact O-CB 3.25Å; F283-L286 PolarHBondContact O-N 3.31Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 2.7Å
287G71.2Confident84.1Confident28 Ų2862 Ų6229%0.28934%0.342SS..  trans142.9-173.9175.300000113.3S285 F289S285-G287 VanDerWaalsContact C-N 3.35Å; G287-F289 PolarHBondContact O-N 3.23Å
288P77.9Confident84.7Confident84 Ų8456.7 Ų56.755%0.54533%0.328SS..  trans-68.3127.5173.827.9-31.7000110.3S290P288-S290 PolarHBondContact O-N 3.41Å
289F84.1Confident85.5Confident12 Ų1253.6 Ų53.65%0.05331%0.312CS..SBendtrans-76.334.7170.3-78-96.8000112.7N187 P190 N276 I279 F283 L284 G287N187-F289 WeakPolarHBondContact O-CE1 3.31Å; N187-F289 WeakPolarHBondContact OD1-CE1 3.09Å; P190-F289 HydrophobicContact CB-CD1 4.31Å; N276-F289 PolarHBondContact N-O 2.74Å; I279-F289 HydrophobicContact CD1-CB 4.44Å; I279-F289 HydrophobicContact CG1-CB 4.21Å; I279-F289 HydrophobicContact CG2-CB 4.31Å; I279-F289 HydrophobicContact CG2-CD2 4.35Å; I279-F289 HydrophobicContact CG2-CG 4.22Å; F283-F289 VanDerWaalsContact C-CE2 3.49Å; F283-F289 HydrophobicContact CB-CE2 4.16Å; F283-F289 HydrophobicContact CB-CZ 3.56Å; F283-F289 VanDerWaalsContact O-CE2 3.28Å; F283-F289 WeakPolarHBondContact O-CE2 3.41Å; L284-F289 HydrophobicContact CD2-CD2 4.16Å; G287-F289 PolarHBondContact O-N 3.23Å
290S90.3Very high86.4Confident25 Ų2550.6 Ų50.618%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-152.4157.3178.572.80000111.3R192 E273 A274 P288R192-S290 PolarHBondContact NH1-O 3.35Å; E273-S290 WeakPolarHBondContact OE1-CB 3Å; E273-S290 PolarHBondContact OE1-OG 3.31Å; A274-S290 WeakPolarHBondContact O-CA 3.08Å; A274-S290 VanDerWaalsContact O-CB 3.32Å; A274-S290 WeakPolarHBondContact O-CB 3.36Å; P288-S290 PolarHBondContact O-N 3.41Å
291D94.3Very high87.2Confident41 Ų4151.5 Ų51.522%0.21931%0.306CS..EExtended strand (participates in β ladder)trans-137.4152.4172.4-166.922.5000109.9P191 R192 F193 E273 A274P191-D291 WeakPolarHBondContact O-CB 3.44Å; R192-D291 IonicContact NH1-OD1 3.17Å; F193-D291 HydrophobicContact CD2-CB 4.11Å; F193-D291 WeakPolarHBondContact CE2-O 3.22Å; F193-D291 PolarHBondContact N-OD2 2.77Å; E273-D291 VanDerWaalsContact CA-O 3.31Å; E273-D291 WeakPolarHBondContact CA-O 3.2Å; A274-D291 PolarHBondContact N-O 3.49Å; A274-D291 PolarHBondContact O-N 3.2Å
292I95.4Very high87.8Confident74 Ų7449.5 Ų49.538%0.37929%0.29SS..EExtended strand (participates in β ladder)trans-125.8131.8-173.9-58173.1000109.1R271 I272 E273R271-I292 HydrophobicContact CB-CG2 4.45Å; I272-I292 CarbonylContact O-C 3.56Å; I272-I292 VanDerWaalsContact O-CA 3.31Å; I272-I292 WeakPolarHBondContact O-CA 3.37Å; E273-I292 HydrophobicContact CB-CG1 4.07Å; E273-I292 HydrophobicContact CG-CG1 3.92Å
293T96.3Very high88.3Confident2 Ų247.2 Ų47.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-125.8159173.2-1660000111.3F193 H195 K196 Y198 I215 I272 V295F193-T293 HydrophobicContact CD1-CG2 3.73Å; F193-T293 HydrophobicContact CD2-CG2 3.78Å; F193-T293 HydrophobicContact CE1-CG2 3.7Å; F193-T293 HydrophobicContact CE2-CG2 3.74Å; F193-T293 HydrophobicContact CG-CG2 3.76Å; F193-T293 HydrophobicContact CZ-CG2 3.7Å; H195-T293 PolarHBondContact O-OG1 3.16Å; K196-T293 VanDerWaalsContact C-OG1 3.26Å; K196-T293 PolarHBondContact O-OG1 3.5Å; Y198-T293 HydrophobicContact CD2-CG2 4.11Å; Y198-T293 HydrophobicContact CE2-CG2 4.07Å; I215-T293 HydrophobicContact CD1-CG2 4.48Å; I272-T293 HydrophobicContact CB-CG2 4.39Å; I272-T293 PolarHBondContact N-O 2.82Å; I272-T293 PolarHBondContact O-N 3.36Å; T293-V295 HydrophobicContact CG2-CG2 4.44Å
294S96.6Very high88.9Confident32 Ų3249.3 Ų49.322%0.22429%0.288CS..EExtended strand (participates in β ladder)trans-103.6123.8174.5-176.80000111K196 S197 Y198 L270K196-S294 PolarHBondContact O-N 3.38Å; K196-S294 VanDerWaalsContact O-N 3.08Å; S197-S294 CarbonylContact C-O 3.57Å; S197-S294 WeakPolarHBondContact CA-O 3.46Å; S197-S294 WeakPolarHBondContact CB-O 3.01Å; Y198-S294 PolarHBondContact N-O 2.76Å; L270-S294 CarbonylContact O-C 3.55Å; L270-S294 WeakPolarHBondContact O-CA 3.31Å
295V97.4Very high89.7Confident0 Ų047.3 Ų47.30%028%0.28CS..EExtended strand (participates in β ladder)trans-105.6118174-179.40000109.4Y198 Y200 I215 I254 L270 I272 T293 V297Y198-V295 HydrophobicContact CD2-CG2 4.49Å; Y198-V295 WeakPolarHBondContact O-CA 3.41Å; Y200-V295 HydrophobicContact CD2-CG1 3.76Å; Y200-V295 HydrophobicContact CE2-CG1 4.05Å; I215-V295 HydrophobicContact CD1-CG2 4.32Å; I215-V295 HydrophobicContact CG2-CG2 4.02Å; I254-V295 HydrophobicContact CD1-CB 4.35Å; I254-V295 HydrophobicContact CD1-CG1 4Å; I254-V295 HydrophobicContact CD1-CG2 4.34Å; L270-V295 HydrophobicContact CB-CB 4.46Å; L270-V295 PolarHBondContact N-O 2.83Å; L270-V295 PolarHBondContact O-N 2.97Å; I272-V295 HydrophobicContact CD1-CB 3.89Å; I272-V295 HydrophobicContact CD1-CG2 3.42Å; I272-V295 VanDerWaalsContact CD1-CG2 3.42Å; I272-V295 HydrophobicContact CG1-CG2 4.25Å; T293-V295 HydrophobicContact CG2-CG2 4.44Å; V295-V297 HydrophobicContact CG1-CG2 4.26Å
296K96.6Very high90.5Very high109 Ų10942.1 Ų42.147%0.47424%0.244SC..EExtended strand (participates in β ladder)trans-97.3118.4174-65.2-177.1-178.8179.90109.1Y198 Q199 Y200 F268Y198-K296 PolarHBondContact O-N 2.77Å; Q199-K296 CarbonylContact C-O 3.43Å; Q199-K296 VanDerWaalsContact CA-O 3.3Å; Q199-K296 WeakPolarHBondContact CA-O 3.33Å; Q199-K296 HydrophobicContact CG-CB 4.4Å; Y200-K296 PolarHBondContact N-O 3.31Å; F268-K296 CarbonylContact O-C 3.57Å; F268-K296 WeakPolarHBondContact O-CA 3.4Å
297V97Very high91.6Very high2 Ų241.1 Ų41.11%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-102.4110.8173.7-175.90000107.2Y200 V202 V212 G267 F268 L270 V295Y200-V297 CarbonylContact O-C 3.56Å; Y200-V297 WeakPolarHBondContact O-CA 3.19Å; V202-V297 HydrophobicContact CG2-CG1 3.6Å; V212-V297 HydrophobicContact CG1-CG1 3.76Å; V212-V297 HydrophobicContact CG1-CG2 3.89Å; G267-V297 CarbonylContact C-O 3.56Å; G267-V297 WeakPolarHBondContact CA-O 3.42Å; F268-V297 HydrophobicContact CB-CB 4.38Å; F268-V297 PolarHBondContact N-O 3.1Å; F268-V297 PolarHBondContact O-N 3.5Å; L270-V297 HydrophobicContact CD1-CG2 4.48Å; V295-V297 HydrophobicContact CG1-CG2 4.26Å
298A96.8Very high92.7Very high27 Ų2740.8 Ų40.822%0.22323%0.229CC..EExtended strand (participates in β ladder)trans-86.1127.9170.100000108.6Y200 T201 V202Y200-A298 PolarHBondContact O-N 3.39Å; T201-A298 VanDerWaalsContact CA-O 3.28Å; T201-A298 WeakPolarHBondContact CA-O 3.43Å; V202-A298 PolarHBondContact N-O 2.87Å
299V96.6Very high93.3Very high7 Ų740 Ų404%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-89.1130.6172-173.40000107.4V202 E204 L260 F262 S266 F268V202-V299 CarbonylContact O-C 3.53Å; V202-V299 WeakPolarHBondContact O-CA 3.49Å; E204-V299 HydrophobicContact CB-CG1 3.61Å; L260-V299 HydrophobicContact CB-CG1 4.28Å; L260-V299 HydrophobicContact CD1-CG2 4.3Å; L260-V299 HydrophobicContact CD2-CG2 4.28Å; F262-V299 HydrophobicContact CB-CG1 4.18Å; F262-V299 HydrophobicContact CD2-CB 4.35Å; F262-V299 HydrophobicContact CD2-CG1 4.37Å; F262-V299 VanDerWaalsContact CD2-O 3.26Å; F262-V299 WeakPolarHBondContact CD2-O 3.35Å; F262-V299 WeakPolarHBondContact CE2-O 3.17Å; S266-V299 PolarHBondContact O-N 2.77Å; F268-V299 HydrophobicContact CD2-CG2 4.02Å; F268-V299 HydrophobicContact CE2-CG2 3.76Å
300A94.9Very high93.7Very high29 Ų2943 Ų4324%0.2425%0.245CC..EExtended strand (participates in β ladder)trans-99128.2173.200000109.2T201 V202 L203 E204T201-A300 HydrophobicContact CG2-CB 3.91Å; V202-A300 PolarHBondContact O-N 3.38Å; L203-A300 HydrophobicContact CD2-CB 4.03Å; E204-A300 PolarHBondContact N-O 3.15Å
301D92.9Very high93.5Very high71 Ų7146.6 Ų46.638%0.3827%0.268SS..PPolyproline II helixtrans-57.1133.3174.3-173.5-20000110.9E204 F262E204-D301 WeakPolarHBondContact OE1-CA 3.11Å; F262-D301 HydrophobicContact CB-CB 4.43Å; F262-D301 HydrophobicContact CD1-CB 3.58Å; F262-D301 HydrophobicContact CD2-CB 3.94Å; F262-D301 HydrophobicContact CE1-CB 3.68Å; F262-D301 HydrophobicContact CE2-CB 4.01Å; F262-D301 HydrophobicContact CG-CB 3.72Å; F262-D301 HydrophobicContact CZ-CB 3.9Å
302V91.3Very high93.5Very high45 Ų4549 Ų4927%0.27328%0.28SS..  trans-128.9116.7175.1177.90000108.2L203 E204 E304L203-V302 HydrophobicContact CB-CG2 3.92Å; L203-V302 HydrophobicContact CD2-CG2 3.84Å; L203-V302 HydrophobicContact CG-CG2 4.32Å; E204-V302 HydrophobicContact CG-CB 4.08Å; E204-V302 HydrophobicContact CG-CG2 4.28Å; E204-V302 PolarHBondContact OE1-N 3.38Å; V302-E304 VanDerWaalsContact O-CG 3.32Å; V302-E304 WeakPolarHBondContact O-CG 3.44Å; V302-E304 PolarHBondContact O-N 2.8Å; V302-E304 VanDerWaalsContact O-N 3.11Å
303N88Confident93.5Very high66 Ų6646 Ų4635%0.35327%0.266SS..PPolyproline II helixtrans-48.1116.8-177.1-162.4113.5000113.5D336 E387 Q393N303-D336 WeakPolarHBondContact CA-OD2 3.3Å; N303-D336 PolarHBondContact ND2-OD2 2.87Å; N303-D336 PolarHBondContact OD1-OD2 3.41Å; N303-E387 PolarHBondContact ND2-OE2 3.12Å; N303-Q393 WeakPolarHBondContact ND2-CG 3.27Å; N303-Q393 PolarHBondContact ND2-NE2 3.31Å; N303-Q393 PolarHBondContact O-NE2 3.45Å
304E89.3Confident93.5Very high74 Ų7453.1 Ų53.135%0.34630%0.297SS..PPolyproline II helixtrans-99.7158.4-177.5-65.2-162106.500112.3V302 P335 D336V302-E304 VanDerWaalsContact O-CG 3.32Å; V302-E304 WeakPolarHBondContact O-CG 3.44Å; V302-E304 PolarHBondContact O-N 2.8Å; V302-E304 VanDerWaalsContact O-N 3.11Å; E304-P335 HydrophobicContact CB-CG 4.28Å; E304-D336 VanDerWaalsContact N-CG 3.34Å; E304-D336 PolarHBondContact N-OD1 2.79Å; E304-D336 PolarHBondContact N-OD2 2.88Å
305P91.2Very high93.5Very high52 Ų5253 Ų5334%0.33829%0.293SS..PPolyproline II helixtrans-75.4152.1174.928.6-33.9000112.1I307 Q393P305-I307 PolarHBondContact O-N 3.44Å; P305-Q393 HydrophobicContact CB-CB 4.47Å; P305-Q393 VanDerWaalsContact N-OE1 3.17Å
306P92.7Very high93.4Very high2 Ų257.7 Ų57.71%0.01332%0.318CS..PPolyproline II helixtrans-56.2139176.9-2632.5000113.6I342 A385 E387 G395P306-I342 HydrophobicContact CB-CD1 4.1Å; P306-I342 HydrophobicContact CB-CG1 4.32Å; P306-I342 HydrophobicContact CB-CG2 4.43Å; P306-I342 HydrophobicContact CG-CG1 4.26Å; P306-A385 HydrophobicContact CB-CB 4.02Å; P306-E387 HydrophobicContact CG-CB 4.33Å; P306-G395 WeakPolarHBondContact O-CA 3.5Å
307I92.8Very high93.4Very high81 Ų8152.9 Ų52.942%0.41530%0.298SS..EExtended strand (participates in β ladder)trans-110.7135179.261.5169.8000112.1P305 A332 H333 P335P305-I307 PolarHBondContact O-N 3.44Å; I307-A332 CarbonylContact O-C 3.56Å; I307-A332 WeakPolarHBondContact O-CA 3.42Å; I307-A332 WeakPolarHBondContact O-CB 3.34Å; I307-H333 VanDerWaalsContact CG1-CE1 3.46Å; I307-H333 WeakPolarHBondContact CG1-CE1 3.35Å; I307-H333 WeakPolarHBondContact CG1-O 3.16Å; I307-H333 PolarHBondContact N-O 2.83Å; I307-H333 PolarHBondContact O-N 3.16Å; I307-H333 PolarHBondContact O-ND1 3.18Å; I307-P335 HydrophobicContact CD1-CG 4.03Å; I307-P335 HydrophobicContact CG1-CG 3.95Å; I307-P335 HydrophobicContact CG2-CG 4.07Å
308F94.2Very high93.3Very high21 Ų2154.4 Ų54.49%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-71.8131.6176.7-77.7-93.1000110.8T310 V330 S331 A332 Y344 I383 A385 K396F308-T310 PolarHBondContact O-N 3.11Å; F308-V330 HydrophobicContact CD1-CB 4.35Å; F308-V330 HydrophobicContact CE1-CB 4.14Å; F308-V330 HydrophobicContact CE1-CG2 4.05Å; F308-S331 WeakPolarHBondContact CA-O 3.47Å; F308-A332 HydrophobicContact CD1-CB 4.12Å; F308-A332 HydrophobicContact CD2-CB 4.45Å; F308-A332 HydrophobicContact CE1-CB 4.34Å; F308-A332 HydrophobicContact CG-CB 4.19Å; F308-Y344 HydrophobicContact CE1-CD1 4.17Å; F308-Y344 HydrophobicContact CE1-CE1 4.06Å; F308-Y344 HydrophobicContact CZ-CD1 4.31Å; F308-Y344 HydrophobicContact CZ-CE1 4.43Å; F308-I383 HydrophobicContact CE1-CB 4.22Å; F308-I383 HydrophobicContact CE1-CG2 4.13Å; F308-I383 WeakPolarHBondContact CE2-O 3.24Å; F308-I383 HydrophobicContact CZ-CB 3.98Å; F308-I383 HydrophobicContact CZ-CG2 3.91Å; F308-I383 WeakPolarHBondContact CZ-O 3.18Å; F308-A385 HydrophobicContact CD2-CB 4.37Å; F308-A385 HydrophobicContact CE1-CB 4.42Å; F308-A385 HydrophobicContact CE2-CB 3.56Å; F308-A385 HydrophobicContact CZ-CB 3.6Å; F308-K396 VanDerWaalsContact CD2-C 3.5Å
309S92Very high93.1Very high69 Ų6953.7 Ų53.748%0.48330%0.301SS..SBendtrans-61.3-28.8177.9-51.70000112.4S331S309-S331 PolarHBondContact N-O 3.01Å; S309-S331 PolarHBondContact OG-O 2.7Å
310T91.3Very high92.9Very high73 Ų7358.7 Ų58.745%0.44833%0.328SS..SBendtrans-129.7105.9173.348.60000109.3F308 L312 S313F308-T310 PolarHBondContact O-N 3.11Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.26Å; T310-S313 PolarHBondContact O-OG 2.91Å; T310-S313 PolarHBondContact OG1-OG 3.49Å
311P87Confident92.9Very high101 Ų10158 Ų5866%0.65632%0.322SS*.SBendtrans-66.6-29.2-172.623.5-33.2000113.5I398P311-I398 PolarHBondContact O-N 3.44Å
312L94.4Very high93Very high91 Ų9164.7 Ų64.748%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-121.1106.3171.2179.964.9000109.9T310 I398 L400T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.26Å; L312-I398 CarbonylContact C-O 3.58Å; L312-I398 WeakPolarHBondContact CA-O 3.11Å; L312-I398 HydrophobicContact CD1-CB 4.04Å; L312-I398 HydrophobicContact CD1-CG2 3.68Å; L312-L400 HydrophobicContact CD1-CB 4.38Å
313S95.1Very high93.2Very high13 Ų1367 Ų679%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-94.9121177-60.50000109.7T310 I398 T399 L400T310-S313 PolarHBondContact O-OG 2.91Å; T310-S313 PolarHBondContact OG1-OG 3.49Å; S313-I398 PolarHBondContact N-O 2.98Å; S313-T399 CarbonylContact O-C 3.58Å; S313-T399 VanDerWaalsContact O-CA 3.3Å; S313-T399 WeakPolarHBondContact O-CA 3.44Å; S313-L400 PolarHBondContact O-N 3.32Å
314K95.9Very high93.4Very high151 Ų15166.1 Ų66.166%0.65736%0.363SS*.EExtended strand (participates in β ladder)trans-102.8121.8176.8-64.2-176.2-178.7-177.30109.5L400K314-L400 WeakPolarHBondContact CA-O 3.42Å
315L95.7Very high93.7Very high28 Ų2865.2 Ų65.215%0.14736%0.362CS..EExtended strand (participates in β ladder)trans-128.1148-177.1-62.1-178.6000109.8I327 I365 T399 L400 I401 T402L315-I327 HydrophobicContact CB-CG2 3.8Å; L315-I327 HydrophobicContact CD1-CG2 4.15Å; L315-I365 HydrophobicContact CD1-CD1 4.1Å; L315-T399 HydrophobicContact CD1-CG2 3.67Å; L315-T399 HydrophobicContact CG-CG2 4.08Å; L315-L400 PolarHBondContact N-O 2.91Å; L315-I401 HydrophobicContact CB-CG1 4.33Å; L315-I401 CarbonylContact O-C 3.52Å; L315-I401 VanDerWaalsContact O-CA 3.31Å; L315-I401 WeakPolarHBondContact O-CA 3.31Å; L315-T402 PolarHBondContact O-N 2.96Å
316N96.1Very high93.9Very high99 Ų9966.8 Ų66.853%0.52937%0.374SS..EExtended strand (participates in β ladder)trans-121.7139.7177.7-62.1-4.7000109.3T402 L404N316-T402 WeakPolarHBondContact CA-O 3.32Å; N316-L404 HydrophobicContact CB-CD1 4.12Å; N316-L404 HydrophobicContact CB-CD2 4.28Å; N316-L404 HydrophobicContact CB-CG 4.19Å
317V96.3Very high94.1Very high8 Ų868 Ų685%0.04838%0.381CS..EExtended strand (participates in β ladder)trans-139.2140.117864.20000109A321 I327 T367 L371 I401 T402 V403 L404V317-A321 HydrophobicContact CG2-CB 3.73Å; V317-I327 HydrophobicContact CB-CD1 4.12Å; V317-I327 HydrophobicContact CB-CG1 4.19Å; V317-I327 HydrophobicContact CB-CG2 4.05Å; V317-I327 HydrophobicContact CG1-CD1 4.37Å; V317-I327 HydrophobicContact CG2-CD1 4.1Å; V317-I327 HydrophobicContact CG2-CG1 3.98Å; V317-T367 HydrophobicContact CG2-CG2 3.96Å; V317-L371 HydrophobicContact CB-CD1 4.33Å; V317-L371 HydrophobicContact CG1-CD1 3.39Å; V317-L371 HydrophobicContact CG2-CD1 3.96Å; V317-I401 HydrophobicContact CB-CG2 4.37Å; V317-I401 HydrophobicContact CG1-CG2 3.52Å; V317-T402 PolarHBondContact N-O 3.05Å; V317-V403 HydrophobicContact CG1-CG2 4.27Å; V317-V403 CarbonylContact O-C 3.6Å; V317-V403 VanDerWaalsContact O-CA 3.27Å; V317-V403 WeakPolarHBondContact O-CA 3.38Å; V317-L404 PolarHBondContact O-N 2.98Å
318S94.2Very high94.1Very high35 Ų3565.1 Ų65.125%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-76.1144.4173.7-169.70000110.3D320 A321 V406S318-D320 VanDerWaalsContact C-N 3.25Å; S318-D320 WeakPolarHBondContact CB-OD1 3.3Å; S318-D320 PolarHBondContact O-N 2.96Å; S318-D320 PolarHBondContact OG-OD1 3.11Å; S318-A321 WeakPolarHBondContact O-CB 3.29Å; S318-A321 PolarHBondContact O-N 3.31Å; S318-V406 VanDerWaalsContact OG-CG2 3.28Å; S318-V406 WeakPolarHBondContact OG-CG2 3.25Å
319E93.9Very high94.2Very high12 Ų1271.9 Ų71.96%0.05640%0.396CS..THydrogen-bonded Turntrans-67.2-27.5176.572-166.6128.700113.5A321 R373 V403 L404 D405 V406E319-A321 PolarHBondContact O-N 3.36Å; E319-A321 VanDerWaalsContact O-N 3.15Å; E319-R373 HydrophobicContact CB-CB 4.4Å; E319-R373 WeakPolarHBondContact OE2-CB 3.29Å; E319-R373 PolarHBondContact OE2-N 2.63Å; E319-V403 HydrophobicContact CB-CG1 3.64Å; E319-L404 PolarHBondContact N-O 2.96Å; E319-L404 VanDerWaalsContact N-O 3.14Å; E319-D405 WeakPolarHBondContact OE1-CA 3.49Å; E319-V406 HydrophobicContact CG-CB 3.87Å; E319-V406 HydrophobicContact CG-CG2 3.98Å; E319-V406 PolarHBondContact OE1-N 3.19Å
320D92.3Very high94.3Very high111 Ų11168.6 Ų68.659%0.59437%0.373SS*.THydrogen-bonded Turntrans-72.5-0.2172.180.8-22.6000113.7S318 R322 V406S318-D320 VanDerWaalsContact C-N 3.25Å; S318-D320 WeakPolarHBondContact CB-OD1 3.3Å; S318-D320 PolarHBondContact O-N 2.96Å; S318-D320 PolarHBondContact OG-OD1 3.11Å; D320-R322 PolarHBondContact O-N 2.79Å; D320-V406 HydrophobicContact CB-CG1 4.39Å; D320-V406 HydrophobicContact CB-CG2 4.04Å
321A94.2Very high94.4Very high15 Ų1567.6 Ų67.612%0.12437%0.369CS..PPolyproline II helixtrans-60.7124.2178.800000110.5V317 S318 E319 T325 T367V317-A321 HydrophobicContact CG2-CB 3.73Å; S318-A321 WeakPolarHBondContact O-CB 3.29Å; S318-A321 PolarHBondContact O-N 3.31Å; E319-A321 PolarHBondContact O-N 3.36Å; E319-A321 VanDerWaalsContact O-N 3.15Å; A321-T325 HydrophobicContact CB-CG2 4.29Å; A321-T367 HydrophobicContact CB-CG2 4.49Å
322R95.1Very high94.7Very high211 Ų21163.1 Ų63.180%0.79634%0.341SS*.PPolyproline II helixtrans-62.2150.8176.3-63.2-177.7-176.3168.62.2110.5D320 G324 T325 T367D320-R322 PolarHBondContact O-N 2.79Å; R322-G324 PolarHBondContact O-N 3.28Å; R322-T325 PolarHBondContact N-OG1 3.07Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.33Å; R322-T325 PolarHBondContact O-N 2.85Å; R322-T325 VanDerWaalsContact O-N 3.11Å; R322-T325 PolarHBondContact O-OG1 2.85Å; R322-T367 PolarHBondContact O-OG1 2.79Å
323V94.7Very high94.5Very high93 Ų9363.1 Ų63.156%0.56434%0.338SS*.THydrogen-bonded Turntrans-55.4131169.6-179.70000110A368V323-A368 VanDerWaalsContact CG1-O 3.31Å; V323-A368 WeakPolarHBondContact CG1-O 3.36Å
324G93.5Very high94.3Very high49 Ų4963.4 Ų63.451%0.50534%0.338SS..THydrogen-bonded Turntrans92.73.4-176.100000114.5R322 S326 T367R322-G324 PolarHBondContact O-N 3.28Å; G324-S326 PolarHBondContact O-N 3Å; G324-T367 WeakPolarHBondContact CA-O 3.23Å; G324-T367 PolarHBondContact N-O 3.45Å; G324-T367 PolarHBondContact N-OG1 3.33Å; G324-T367 VanDerWaalsContact N-OG1 3.16Å
325T95.3Very high94Very high54 Ų5457.5 Ų57.533%0.33132%0.316SS..  trans-68127.6177.1-60.40000109.8A321 R322 S366 T367A321-T325 HydrophobicContact CB-CG2 4.29Å; R322-T325 PolarHBondContact N-OG1 3.07Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.33Å; R322-T325 PolarHBondContact O-N 2.85Å; R322-T325 VanDerWaalsContact O-N 3.11Å; R322-T325 PolarHBondContact O-OG1 2.85Å; T325-S366 CarbonylContact O-C 3.58Å; T325-S366 WeakPolarHBondContact O-CA 3.49Å; T325-S366 WeakPolarHBondContact O-CB 3.18Å; T325-T367 PolarHBondContact N-OG1 2.89Å; T325-T367 VanDerWaalsContact N-OG1 3.08Å; T325-T367 PolarHBondContact O-N 2.78Å
326S96.1Very high93.6Very high85 Ų8556.6 Ų56.659%0.59431%0.311SS*.EExtended strand (participates in β ladder)trans-77.1122.7175.8-52.50000110.4G324G324-S326 PolarHBondContact O-N 3Å
327I95.8Very high92.3Very high28 Ų2859.6 Ų59.614%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-92.8-46.2-175.2-51.7175.1000110.4L315 V317 F356 I365 T367 I401L315-I327 HydrophobicContact CB-CG2 3.8Å; L315-I327 HydrophobicContact CD1-CG2 4.15Å; V317-I327 HydrophobicContact CB-CD1 4.12Å; V317-I327 HydrophobicContact CB-CG1 4.19Å; V317-I327 HydrophobicContact CB-CG2 4.05Å; V317-I327 HydrophobicContact CG1-CD1 4.37Å; V317-I327 HydrophobicContact CG2-CD1 4.1Å; V317-I327 HydrophobicContact CG2-CG1 3.98Å; I327-F356 HydrophobicContact CD1-CD1 3.61Å; I327-F356 HydrophobicContact CD1-CE1 3.57Å; I327-I365 HydrophobicContact CD1-CG2 4.39Å; I327-I365 PolarHBondContact N-O 3.45Å; I327-T367 HydrophobicContact CD1-CG2 3.89Å; I327-T367 HydrophobicContact CG1-CG2 4.2Å; I327-I401 HydrophobicContact CD1-CD1 4.09Å; I327-I401 HydrophobicContact CD1-CG2 4.46Å
328G94.1Very high90.9Very high20 Ų2061.1 Ų61.121%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-176.5-179.2-175.600000112.3I364 I365G328-I364 CarbonylContact O-C 3.59Å; G328-I364 WeakPolarHBondContact O-CA 3.37Å; G328-I365 PolarHBondContact O-N 3Å
329R94.7Very high89.6Confident163 Ų16368 Ų6862%0.61537%0.372SS*.EExtended strand (participates in β ladder)trans-127.7133.3-179.6-176.9-177.9-175.9-168.61.3110S362 G363 I364R329-S362 WeakPolarHBondContact CG-O 3.31Å; R329-S362 PolarHBondContact NE-O 2.69Å; R329-S362 PolarHBondContact NH2-O 2.92Å; R329-G363 WeakPolarHBondContact CA-O 3.2Å; R329-I364 HydrophobicContact CB-CG1 4.29Å; R329-I364 HydrophobicContact CG-CG1 4.24Å
330V95.1Very high88.7Confident1 Ų168.3 Ų68.31%0.00638%0.376CS..  trans-100.9150.2166.7-63.80000109.9F308 Y344 G363 I365 I383F308-V330 HydrophobicContact CD1-CB 4.35Å; F308-V330 HydrophobicContact CE1-CB 4.14Å; F308-V330 HydrophobicContact CE1-CG2 4.05Å; V330-Y344 HydrophobicContact CG2-CD1 4.32Å; V330-G363 WeakPolarHBondContact CG2-O 3.22Å; V330-G363 PolarHBondContact N-O 3.49Å; V330-I365 HydrophobicContact CG1-CD1 3.96Å; V330-I383 HydrophobicContact CG2-CG2 4.09Å
331S93.8Very high88.5Confident51 Ų5165 Ų6536%0.35737%0.368SS..  trans-133.9140.1178.3-167.70000109.4F308 S309F308-S331 WeakPolarHBondContact CA-O 3.47Å; S309-S331 PolarHBondContact N-O 3.01Å; S309-S331 PolarHBondContact OG-O 2.7Å
332A92.9Very high88.4Confident8 Ų865.7 Ų65.77%0.06637%0.369CS..EExtended strand (participates in β ladder)trans-131.7154.517300000108.4I307 F308 I342 Y344 A385I307-A332 CarbonylContact O-C 3.56Å; I307-A332 WeakPolarHBondContact O-CA 3.42Å; I307-A332 WeakPolarHBondContact O-CB 3.34Å; F308-A332 HydrophobicContact CD1-CB 4.12Å; F308-A332 HydrophobicContact CD2-CB 4.45Å; F308-A332 HydrophobicContact CE1-CB 4.34Å; F308-A332 HydrophobicContact CG-CB 4.19Å; A332-I342 HydrophobicContact CB-CD1 4.45Å; A332-I342 HydrophobicContact CB-CG2 4.45Å; A332-I342 WeakPolarHBondContact O-CD1 3.33Å; A332-Y344 HydrophobicContact CB-CE1 3.79Å; A332-Y344 PolarHBondContact N-OH 2.64Å; A332-Y344 PolarHBondContact O-OH 2.88Å; A332-A385 HydrophobicContact CB-CB 3.66Å
333H90.5Very high88.3Confident90 Ų9061.8 Ų61.842%0.41735%0.354SS..EExtended strand (participates in β ladder)trans-133.4149.5173.363.4-64.6000108.2I307I307-H333 VanDerWaalsContact CG1-CE1 3.46Å; I307-H333 WeakPolarHBondContact CG1-CE1 3.35Å; I307-H333 WeakPolarHBondContact CG1-O 3.16Å; I307-H333 PolarHBondContact N-O 2.83Å; I307-H333 PolarHBondContact O-N 3.16Å; I307-H333 PolarHBondContact O-ND1 3.18Å
334D90.8Very high88.4Confident19 Ų1958.2 Ų58.210%0.10233%0.331CS..  trans-82.5126.7172.9-153.9-62.4000107.5D336 I342D334-D336 PolarHBondContact O-N 3.17Å; D334-D336 VanDerWaalsContact OD1-CB 3.25Å; D334-D336 WeakPolarHBondContact OD1-CB 3.15Å; D334-D336 VanDerWaalsContact OD1-CG 3.31Å; D334-D336 PolarHBondContact OD1-N 3.08Å; D334-I342 HydrophobicContact CB-CD1 4.48Å
335P88.9Confident88.5Confident28 Ų2857.7 Ų57.718%0.18232%0.32CS..SBendtrans-58.5-37.9173.1-21.833.4000111.5E263 E304 I307E263-P335 HydrophobicContact CG-CB 4.11Å; E263-P335 WeakPolarHBondContact CG-O 3.36Å; E304-P335 HydrophobicContact CB-CG 4.28Å; I307-P335 HydrophobicContact CD1-CG 4.03Å; I307-P335 HydrophobicContact CG1-CG 3.95Å; I307-P335 HydrophobicContact CG2-CG 4.07Å
336D87.4Confident88.5Confident9 Ų956 Ų565%0.04831%0.308CS..SBendtrans-63.8148.2-177.5-51.9-29.1000109.7N303 E304 D334 S338N303-D336 WeakPolarHBondContact CA-OD2 3.3Å; N303-D336 PolarHBondContact ND2-OD2 2.87Å; N303-D336 PolarHBondContact OD1-OD2 3.41Å; E304-D336 VanDerWaalsContact N-CG 3.34Å; E304-D336 PolarHBondContact N-OD1 2.79Å; E304-D336 PolarHBondContact N-OD2 2.88Å; D334-D336 PolarHBondContact O-N 3.17Å; D334-D336 VanDerWaalsContact OD1-CB 3.25Å; D334-D336 WeakPolarHBondContact OD1-CB 3.15Å; D334-D336 VanDerWaalsContact OD1-CG 3.31Å; D334-D336 PolarHBondContact OD1-N 3.08Å; D336-S338 PolarHBondContact O-N 2.88Å
337N69.4Low88.5Confident162 Ų16253.7 Ų53.787%0.86629%0.289SS*.SBendtrans-74.527.5177.6-1504.9000112.9
338S65.9Low88.3Confident40 Ų4058.2 Ų58.228%0.2830%0.304SS..  trans-82.1133.2179.778.60000109.3D336 S340D336-S338 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact O-N 2.85Å; S338-S340 PolarHBondContact OG-OG 2.93Å
339N68.5Low88.3Confident179 Ų17963.4 Ų63.496%0.95733%0.327SS*.  trans-76.826.5172-80.1-55.6000111.7
340S74.6Confident88.3Confident19 Ų1957.7 Ų57.713%0.13331%0.311CS..PPolyproline II helixtrans-70.3130.7-176.3-72.10000110.5S338 E387 L389S338-S340 PolarHBondContact O-N 2.85Å; S338-S340 PolarHBondContact OG-OG 2.93Å; S340-E387 WeakPolarHBondContact CB-OE1 3.41Å; S340-E387 PolarHBondContact OG-OE1 3.41Å; S340-L389 WeakPolarHBondContact OG-CD1 3.49Å
341G86.4Confident88.2Confident42 Ų4257.9 Ų57.943%0.43331%0.312SS..PPolyproline II helixtrans-71.9139.517500000111S388G341-S388 WeakPolarHBondContact O-CB 3.32Å; G341-S388 PolarHBondContact O-N 3.19Å; G341-S388 PolarHBondContact O-OG 2.95Å
342I92.4Very high88.1Confident28 Ų2862.1 Ų62.114%0.14433%0.33CS..EExtended strand (participates in β ladder)trans-97.1138.4177.4-61.5164.6000109.9P306 A332 D334 Y344 A385P306-I342 HydrophobicContact CB-CD1 4.1Å; P306-I342 HydrophobicContact CB-CG1 4.32Å; P306-I342 HydrophobicContact CB-CG2 4.43Å; P306-I342 HydrophobicContact CG-CG1 4.26Å; A332-I342 HydrophobicContact CB-CD1 4.45Å; A332-I342 HydrophobicContact CB-CG2 4.45Å; A332-I342 WeakPolarHBondContact O-CD1 3.33Å; D334-I342 HydrophobicContact CB-CD1 4.48Å; I342-Y344 HydrophobicContact CG2-CE1 4.13Å; I342-Y344 HydrophobicContact CG2-CE2 4.46Å; I342-A385 HydrophobicContact CG2-CB 3.83Å
343R94Very high88Confident130 Ų13067.4 Ų67.449%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-113.2134.4174-71.7178.4179.1-93.81111.8A360 I386R343-A360 CarbonylContact C-O 3.41Å; R343-A360 WeakPolarHBondContact CA-O 3.21Å; R343-I386 PolarHBondContact N-O 3.49Å; R343-I386 PolarHBondContact O-N 2.84Å
344Y95.7Very high88.2Confident17 Ų1769.8 Ų69.87%0.06736%0.358CS..EExtended strand (participates in β ladder)trans-98.3142.4178.7-57.4-79.3000112.2F308 V330 A332 I342 A360 G363 I383 L384 A385F308-Y344 HydrophobicContact CE1-CD1 4.17Å; F308-Y344 HydrophobicContact CE1-CE1 4.06Å; F308-Y344 HydrophobicContact CZ-CD1 4.31Å; F308-Y344 HydrophobicContact CZ-CE1 4.43Å; V330-Y344 HydrophobicContact CG2-CD1 4.32Å; A332-Y344 HydrophobicContact CB-CE1 3.79Å; A332-Y344 PolarHBondContact N-OH 2.64Å; A332-Y344 PolarHBondContact O-OH 2.88Å; I342-Y344 HydrophobicContact CG2-CE1 4.13Å; I342-Y344 HydrophobicContact CG2-CE2 4.46Å; Y344-A360 PolarHBondContact N-O 2.97Å; Y344-A360 WeakPolarHBondContact O-CA 3.32Å; Y344-G363 VanDerWaalsContact CD2-CA 3.49Å; Y344-I383 HydrophobicContact CD1-CG2 4.48Å; Y344-L384 CarbonylContact C-O 3.56Å; Y344-L384 VanDerWaalsContact CA-O 3.31Å; Y344-L384 WeakPolarHBondContact CA-O 3.48Å; Y344-A385 HydrophobicContact CD1-CB 4.24Å; Y344-A385 HydrophobicContact CE1-CB 4.09Å
345S95.4Very high88.4Confident39 Ų3970.9 Ų70.927%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-147.3160.4169.464.90000111.2I383 L384S345-I383 CarbonylContact O-C 3.59Å; S345-I383 WeakPolarHBondContact O-CA 3.49Å; S345-I383 WeakPolarHBondContact O-CG2 3.35Å; S345-L384 PolarHBondContact N-O 2.75Å; S345-L384 PolarHBondContact O-N 3.1Å
346I96.3Very high88.8Confident19 Ų1969.5 Ų69.510%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-95.8132.8174.8-64.6162.3000108.2R348 D351 F356 V358 I383I346-R348 PolarHBondContact O-N 2.64Å; I346-D351 HydrophobicContact CG2-CB 4.01Å; I346-F356 HydrophobicContact CD1-CB 4.06Å; I346-F356 WeakPolarHBondContact CD1-O 3.23Å; I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.18Å; I346-V358 HydrophobicContact CG1-CB 4Å; I346-V358 HydrophobicContact CG1-CG1 3.73Å; I346-I383 HydrophobicContact CG1-CD1 3.66Å
347D95.7Very high89.2Confident35 Ų3573 Ų7319%0.18737%0.372CS..  trans-64.2118.2169.7-174-11000109.6N349 T350 T382 L384D347-N349 PolarHBondContact O-N 3.26Å; D347-N349 VanDerWaalsContact O-N 3.17Å; D347-N349 PolarHBondContact OD1-N 2.86Å; D347-T350 HydrophobicContact CB-CG2 4.41Å; D347-T350 PolarHBondContact O-N 3.27Å; D347-T350 PolarHBondContact O-OG1 2.69Å; D347-T382 HydrophobicContact CB-CG2 4.18Å; D347-T382 WeakPolarHBondContact CB-O 3.12Å; D347-T382 PolarHBondContact N-O 3.21Å; D347-L384 HydrophobicContact CB-CD1 4.41Å; D347-L384 HydrophobicContact CB-CD2 4.39Å; D347-L384 HydrophobicContact CB-CG 4.33Å
348R92.1Very high90.5Very high123 Ų12366.5 Ų66.546%0.46434%0.338SS..G310 helixtrans-60.7-26.7-176.5-67.3-61.8-174.6-168.6-5.5113I346 T350 D351 L352I346-R348 PolarHBondContact O-N 2.64Å; R348-T350 PolarHBondContact O-N 3.42Å; R348-D351 CarbonylContact O-C 3.51Å; R348-D351 PolarHBondContact O-N 3.35Å; R348-L352 PolarHBondContact O-N 3.15Å
349N93.4Very high92Very high129 Ų12968.3 Ų68.369%0.6935%0.345SS*.G310 helixtrans-69.8-21.1178.5-63.4-23000112.2D347D347-N349 PolarHBondContact O-N 3.26Å; D347-N349 VanDerWaalsContact O-N 3.17Å; D347-N349 PolarHBondContact OD1-N 2.86Å
350T94.3Very high93.2Very high44 Ų4461.4 Ų61.427%0.2731%0.313SS..G310 helixtrans-96.3-11.517965.40000114.2D347 R348 T382D347-T350 HydrophobicContact CB-CG2 4.41Å; D347-T350 PolarHBondContact O-N 3.27Å; D347-T350 PolarHBondContact O-OG1 2.69Å; R348-T350 PolarHBondContact O-N 3.42Å; T350-T382 WeakPolarHBondContact CG2-OG1 3.38Å; T350-T382 PolarHBondContact OG1-N 2.68Å
351D93.8Very high94Very high5 Ų566.4 Ų66.43%0.02734%0.337CS..  trans-142.766.1176.9-17117.6000110.8I346 R348 E353 R354 F355 F356 L381I346-D351 HydrophobicContact CG2-CB 4.01Å; R348-D351 CarbonylContact O-C 3.51Å; R348-D351 PolarHBondContact O-N 3.35Å; D351-E353 PolarHBondContact O-N 3.4Å; D351-R354 PolarHBondContact O-N 2.87Å; D351-R354 VanDerWaalsContact O-N 3.11Å; D351-R354 WeakPolarHBondContact OD1-CA 3.43Å; D351-R354 PolarHBondContact OD1-N 2.77Å; D351-R354 VanDerWaalsContact OD1-N 3.1Å; D351-R354 VanDerWaalsContact OD2-CA 3.26Å; D351-R354 WeakPolarHBondContact OD2-CA 3.31Å; D351-F355 VanDerWaalsContact CG-N 3.34Å; D351-F355 PolarHBondContact OD1-N 3.47Å; D351-F355 PolarHBondContact OD2-N 2.72Å; D351-F356 PolarHBondContact OD2-N 2.84Å; D351-L381 HydrophobicContact CB-CD2 3.83Å
352L91.4Very high94.4Very high139 Ų13965.8 Ų65.873%0.72833%0.326SS*.THydrogen-bonded Turntrans-57.7-40.1-177.4-68171000111.8R348 R354R348-L352 PolarHBondContact O-N 3.15Å; L352-R354 VanDerWaalsContact C-N 3.33Å
353E91.9Very high94.5Very high119 Ų11964.4 Ų64.456%0.55632%0.319SS*.THydrogen-bonded Turntrans-84.6-5.9-178.3-68.6-165.5-153.400113.8D351 F355 K369D351-E353 PolarHBondContact O-N 3.4Å; E353-F355 HydrophobicContact CB-CD2 3.73Å; E353-F355 HydrophobicContact CB-CE2 3.36Å; E353-F355 HydrophobicContact CB-CZ 4.03Å; E353-F355 HydrophobicContact CG-CE2 4.04Å; E353-F355 WeakPolarHBondContact OE2-CE2 3.2Å; E353-F355 WeakPolarHBondContact OE2-CZ 3.09Å; E353-K369 WeakPolarHBondContact O-CE 3.49Å; E353-K369 PolarHBondContact O-NZ 2.62Å
354R94Very high94.6Very high141 Ų14161.2 Ų61.253%0.53231%0.311SS..  trans6051.2178.8-49.8-176.7176-174.9-2.1112.3D351 L352 F356 A368D351-R354 PolarHBondContact O-N 2.87Å; D351-R354 VanDerWaalsContact O-N 3.11Å; D351-R354 WeakPolarHBondContact OD1-CA 3.43Å; D351-R354 PolarHBondContact OD1-N 2.77Å; D351-R354 VanDerWaalsContact OD1-N 3.1Å; D351-R354 VanDerWaalsContact OD2-CA 3.26Å; D351-R354 WeakPolarHBondContact OD2-CA 3.31Å; L352-R354 VanDerWaalsContact C-N 3.33Å; R354-F356 PolarHBondContact O-N 2.78Å; R354-A368 WeakPolarHBondContact O-CB 3.4Å
355F95.3Very high94.6Very high41 Ų4160.4 Ų60.418%0.1831%0.308CS..  trans-68.9-23173.4-73.9-75.7000112.5D351 E353 A368 K369 L371 H379D351-F355 VanDerWaalsContact CG-N 3.34Å; D351-F355 PolarHBondContact OD1-N 3.47Å; D351-F355 PolarHBondContact OD2-N 2.72Å; E353-F355 HydrophobicContact CB-CD2 3.73Å; E353-F355 HydrophobicContact CB-CE2 3.36Å; E353-F355 HydrophobicContact CB-CZ 4.03Å; E353-F355 HydrophobicContact CG-CE2 4.04Å; E353-F355 WeakPolarHBondContact OE2-CE2 3.2Å; E353-F355 WeakPolarHBondContact OE2-CZ 3.09Å; F355-A368 PolarHBondContact O-N 2.92Å; F355-K369 HydrophobicContact CD1-CB 3.92Å; F355-K369 HydrophobicContact CD1-CD 4.34Å; F355-K369 HydrophobicContact CE1-CB 4.44Å; F355-K369 HydrophobicContact CE1-CD 4.47Å; F355-K369 PolarHBondContact O-N 2.8Å; F355-L371 HydrophobicContact CB-CD2 4.13Å; F355-L371 HydrophobicContact CD1-CD2 3.9Å; F355-L371 HydrophobicContact CG-CD2 4.32Å; F355-H379 AromaticContact CD2-CE1 3.73Å; F355-H379 AromaticContact CG-CE1 3.96Å
356F96.8Very high94.7Very high0 Ų059.7 Ų59.70%030%0.303CS..EExtended strand (participates in β ladder)trans-129.3153.3-174.8-53.4-83000113.1I327 I346 D351 R354 I365 S366 L371 H379 L381 I401I327-F356 HydrophobicContact CD1-CD1 3.61Å; I327-F356 HydrophobicContact CD1-CE1 3.57Å; I346-F356 HydrophobicContact CD1-CB 4.06Å; I346-F356 WeakPolarHBondContact CD1-O 3.23Å; D351-F356 PolarHBondContact OD2-N 2.84Å; R354-F356 PolarHBondContact O-N 2.78Å; F356-I365 HydrophobicContact CB-CG2 4.32Å; F356-I365 HydrophobicContact CD1-CG2 4.49Å; F356-S366 CarbonylContact C-O 3.48Å; F356-S366 WeakPolarHBondContact CA-O 3.34Å; F356-L371 HydrophobicContact CE1-CD1 4.19Å; F356-L371 HydrophobicContact CE1-CD2 4.16Å; F356-L371 HydrophobicContact CZ-CD1 4.38Å; F356-L371 HydrophobicContact CZ-CD2 3.83Å; F356-H379 HydrophobicContact CE2-CB 3.61Å; F356-H379 AromaticContact CE2-CD2 3.85Å; F356-H379 AromaticContact CE2-CG 3.45Å; F356-H379 VanDerWaalsContact CE2-CG 3.45Å; F356-H379 AromaticContact CE2-ND1 3.64Å; F356-H379 HydrophobicContact CZ-CB 4.02Å; F356-H379 AromaticContact CZ-CD2 3.72Å; F356-H379 AromaticContact CZ-CG 3.78Å; F356-L381 HydrophobicContact CB-CD1 3.94Å; F356-L381 HydrophobicContact CD2-CD1 3.6Å; F356-L381 HydrophobicContact CD2-CD2 3.94Å; F356-L381 HydrophobicContact CD2-CG 4.27Å; F356-L381 HydrophobicContact CE2-CD1 4.26Å; F356-L381 HydrophobicContact CE2-CD2 4.39Å; F356-L381 HydrophobicContact CG-CD1 3.77Å; F356-I401 HydrophobicContact CD1-CD1 3.63Å; F356-I401 HydrophobicContact CD2-CD1 4.32Å; F356-I401 HydrophobicContact CE1-CD1 3.52Å; F356-I401 HydrophobicContact CE1-CG2 4.06Å; F356-I401 HydrophobicContact CE2-CD1 4.22Å; F356-I401 HydrophobicContact CG-CD1 4.03Å; F356-I401 HydrophobicContact CZ-CB 4.37Å; F356-I401 HydrophobicContact CZ-CD1 3.84Å; F356-I401 HydrophobicContact CZ-CG2 4.09Å
357N96Very high94.7Very high82 Ų8258.8 Ų58.844%0.43930%0.299SS..EExtended strand (participates in β ladder)trans-122.3144.8170.1-76.6-33.4000109.4I365 S366 A368N357-I365 CarbonylContact O-C 3.54Å; N357-I365 WeakPolarHBondContact O-CA 3.34Å; N357-S366 PolarHBondContact N-O 3.38Å; N357-S366 PolarHBondContact O-N 3.48Å; N357-S366 PolarHBondContact O-OG 2.78Å; N357-A368 HydrophobicContact CB-CB 4.42Å; N357-A368 WeakPolarHBondContact ND2-CB 3.18Å
358V96.9Very high94.7Very high26 Ų2658.4 Ų58.416%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-116.2133.6168.969.40000109.7I346 A360 I364 I365I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.18Å; I346-V358 HydrophobicContact CG1-CB 4Å; I346-V358 HydrophobicContact CG1-CG1 3.73Å; V358-A360 PolarHBondContact O-N 2.86Å; V358-I364 CarbonylContact C-O 3.59Å; V358-I364 WeakPolarHBondContact CA-O 3.48Å; V358-I365 HydrophobicContact CB-CG1 4.43Å; V358-I365 HydrophobicContact CG2-CG1 4.07Å
359D96.1Very high94.8Very high77 Ų7756.8 Ų56.841%0.41230%0.296SS..  trans-72.7125.7171.9179.1-101.8000110.3L361 S362 G363 I364D359-L361 PolarHBondContact O-N 2.96Å; D359-L361 VanDerWaalsContact O-N 3.17Å; D359-L361 PolarHBondContact OD1-N 2.96Å; D359-S362 VanDerWaalsContact CB-OG 3.3Å; D359-S362 WeakPolarHBondContact CB-OG 3.26Å; D359-S362 VanDerWaalsContact CG-OG 3.23Å; D359-S362 VanDerWaalsContact OD1-CB 3.27Å; D359-S362 WeakPolarHBondContact OD1-CB 3.41Å; D359-S362 PolarHBondContact OD1-N 2.82Å; D359-S362 PolarHBondContact OD1-OG 2.87Å; D359-G363 WeakPolarHBondContact O-CA 3.17Å; D359-G363 PolarHBondContact O-N 3.42Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 2.8Å
360A94.2Very high94.8Very high35 Ų3554.9 Ų54.929%0.28929%0.293SS..THydrogen-bonded Turntrans-66.1-22.1-169.200000114R343 Y344 V358R343-A360 CarbonylContact C-O 3.41Å; R343-A360 WeakPolarHBondContact CA-O 3.21Å; Y344-A360 PolarHBondContact N-O 2.97Å; Y344-A360 WeakPolarHBondContact O-CA 3.32Å; V358-A360 PolarHBondContact O-N 2.86Å
361L92.8Very high94.9Very high123 Ų12353.3 Ų53.364%0.64428%0.283SS*.THydrogen-bonded Turntrans-106.4-40.2-176.3-63.1174.9000112.4D359D359-L361 PolarHBondContact O-N 2.96Å; D359-L361 VanDerWaalsContact O-N 3.17Å; D359-L361 PolarHBondContact OD1-N 2.96Å
362S93.6Very high94.9Very high29 Ų2957 Ų5720%0.20330%0.303CS..THydrogen-bonded Turntrans-89.9-22.1-177.4660000113.2R329 D359 I364R329-S362 WeakPolarHBondContact CG-O 3.31Å; R329-S362 PolarHBondContact NE-O 2.69Å; R329-S362 PolarHBondContact NH2-O 2.92Å; D359-S362 VanDerWaalsContact CB-OG 3.3Å; D359-S362 WeakPolarHBondContact CB-OG 3.26Å; D359-S362 VanDerWaalsContact CG-OG 3.23Å; D359-S362 VanDerWaalsContact OD1-CB 3.27Å; D359-S362 WeakPolarHBondContact OD1-CB 3.41Å; D359-S362 PolarHBondContact OD1-N 2.82Å; D359-S362 PolarHBondContact OD1-OG 2.87Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 2.86Å; S362-I364 WeakPolarHBondContact OG-CG1 3.48Å; S362-I364 PolarHBondContact OG-N 2.81Å
363G93.9Very high95Very high0 Ų051.4 Ų51.40%027%0.272CS..  trans72.417.8-175.100000113.5R329 V330 Y344 D359R329-G363 WeakPolarHBondContact CA-O 3.2Å; V330-G363 WeakPolarHBondContact CG2-O 3.22Å; V330-G363 PolarHBondContact N-O 3.49Å; Y344-G363 VanDerWaalsContact CD2-CA 3.49Å; D359-G363 WeakPolarHBondContact O-CA 3.17Å; D359-G363 PolarHBondContact O-N 3.42Å
364I96.7Very high94.9Very high62 Ų6248.4 Ų48.432%0.31826%0.258SS..EExtended strand (participates in β ladder)trans-75.5126.9175.4-65171.6000109.3G328 R329 V358 D359 S362G328-I364 CarbonylContact O-C 3.59Å; G328-I364 WeakPolarHBondContact O-CA 3.37Å; R329-I364 HydrophobicContact CB-CG1 4.29Å; R329-I364 HydrophobicContact CG-CG1 4.24Å; V358-I364 CarbonylContact C-O 3.59Å; V358-I364 WeakPolarHBondContact CA-O 3.48Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 2.8Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 2.86Å; S362-I364 WeakPolarHBondContact OG-CG1 3.48Å; S362-I364 PolarHBondContact OG-N 2.81Å
365I97Very high94.8Very high0 Ų045.4 Ų45.40%026%0.264CS..EExtended strand (participates in β ladder)trans-94.6134.2175.7-57.7173000108.9L315 I327 G328 V330 F356 N357 V358 I383 T399 I401L315-I365 HydrophobicContact CD1-CD1 4.1Å; I327-I365 HydrophobicContact CD1-CG2 4.39Å; I327-I365 PolarHBondContact N-O 3.45Å; G328-I365 PolarHBondContact O-N 3Å; V330-I365 HydrophobicContact CG1-CD1 3.96Å; F356-I365 HydrophobicContact CB-CG2 4.32Å; F356-I365 HydrophobicContact CD1-CG2 4.49Å; N357-I365 CarbonylContact O-C 3.54Å; N357-I365 WeakPolarHBondContact O-CA 3.34Å; V358-I365 HydrophobicContact CB-CG1 4.43Å; V358-I365 HydrophobicContact CG2-CG1 4.07Å; I365-I383 HydrophobicContact CD1-CD1 4.02Å; I365-I383 HydrophobicContact CD1-CG1 4.25Å; I365-T399 HydrophobicContact CD1-CG2 3.84Å; I365-I401 HydrophobicContact CG2-CD1 4.17Å
366S96.5Very high94.7Very high24 Ų2446.8 Ų46.817%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-137.2155.4-177.659.80000112.1T325 F356 N357T325-S366 CarbonylContact O-C 3.58Å; T325-S366 WeakPolarHBondContact O-CA 3.49Å; T325-S366 WeakPolarHBondContact O-CB 3.18Å; F356-S366 CarbonylContact C-O 3.48Å; F356-S366 WeakPolarHBondContact CA-O 3.34Å; N357-S366 PolarHBondContact N-O 3.38Å; N357-S366 PolarHBondContact O-N 3.48Å; N357-S366 PolarHBondContact O-OG 2.78Å
367T96.8Very high94.5Very high1 Ų149.6 Ų49.61%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-70.8129.3175.255.40000110.6V317 A321 R322 G324 T325 I327 L371V317-T367 HydrophobicContact CG2-CG2 3.96Å; A321-T367 HydrophobicContact CB-CG2 4.49Å; R322-T367 PolarHBondContact O-OG1 2.79Å; G324-T367 WeakPolarHBondContact CA-O 3.23Å; G324-T367 PolarHBondContact N-O 3.45Å; G324-T367 PolarHBondContact N-OG1 3.33Å; G324-T367 VanDerWaalsContact N-OG1 3.16Å; T325-T367 PolarHBondContact N-OG1 2.89Å; T325-T367 VanDerWaalsContact N-OG1 3.08Å; T325-T367 PolarHBondContact O-N 2.78Å; I327-T367 HydrophobicContact CD1-CG2 3.89Å; I327-T367 HydrophobicContact CG1-CG2 4.2Å; T367-L371 HydrophobicContact CG2-CD1 3.95Å
368A95.3Very high94.4Very high26 Ų2648.5 Ų48.522%0.21529%0.288CS..SBendtrans-102.7-23.4176.300000112.5V323 R354 F355 N357V323-A368 VanDerWaalsContact CG1-O 3.31Å; V323-A368 WeakPolarHBondContact CG1-O 3.36Å; R354-A368 WeakPolarHBondContact O-CB 3.4Å; F355-A368 PolarHBondContact O-N 2.92Å; N357-A368 HydrophobicContact CB-CB 4.42Å; N357-A368 WeakPolarHBondContact ND2-CB 3.18Å
369K94.4Very high94.3Very high89 Ų8947.9 Ų47.939%0.38728%0.284SS..SBendtrans-132.3166.6173.8-72.6-179.5170.8179.20110.5E353 F355E353-K369 WeakPolarHBondContact O-CE 3.49Å; E353-K369 PolarHBondContact O-NZ 2.62Å; F355-K369 HydrophobicContact CD1-CB 3.92Å; F355-K369 HydrophobicContact CD1-CD 4.34Å; F355-K369 HydrophobicContact CE1-CB 4.44Å; F355-K369 HydrophobicContact CE1-CD 4.47Å; F355-K369 PolarHBondContact O-N 2.8Å
370S94.2Very high94.3Very high89 Ų8948.8 Ų48.862%0.62229%0.289SS*.  trans-62141.216649.90000109.5
371L95.1Very high94.4Very high12 Ų1247.1 Ų47.16%0.06328%0.275CS..  trans-100.8151.6176.2-58.4175.1000108.3V317 F355 F356 T367 V403V317-L371 HydrophobicContact CB-CD1 4.33Å; V317-L371 HydrophobicContact CG1-CD1 3.39Å; V317-L371 HydrophobicContact CG2-CD1 3.96Å; F355-L371 HydrophobicContact CB-CD2 4.13Å; F355-L371 HydrophobicContact CD1-CD2 3.9Å; F355-L371 HydrophobicContact CG-CD2 4.32Å; F356-L371 HydrophobicContact CE1-CD1 4.19Å; F356-L371 HydrophobicContact CE1-CD2 4.16Å; F356-L371 HydrophobicContact CZ-CD1 4.38Å; F356-L371 HydrophobicContact CZ-CD2 3.83Å; T367-L371 HydrophobicContact CG2-CD1 3.95Å; L371-V403 HydrophobicContact CB-CG1 4.29Å; L371-V403 HydrophobicContact CD1-CG2 4.37Å
372D93.4Very high94.6Very high83 Ų8342.5 Ų42.544%0.44425%0.252SS..  trans-140.6110.9178.3171.7-16.2000105.1E374 A375 N376D372-E374 PolarHBondContact OD1-N 3.29Å; D372-E374 VanDerWaalsContact OD1-N 3.09Å; D372-A375 HydrophobicContact CB-CB 4.02Å; D372-A375 PolarHBondContact O-N 2.91Å; D372-A375 PolarHBondContact OD1-N 3.06Å; D372-N376 PolarHBondContact O-N 3.47Å
373R93.2Very high94.7Very high21 Ų2141.1 Ų41.18%0.07924%0.242CC..THydrogen-bonded Turntrans-72.3-36-173.4-172.3-154.4701380.5111.1E319 A375 N376 S377 V403 D405 K439 E441E319-R373 HydrophobicContact CB-CB 4.4Å; E319-R373 WeakPolarHBondContact OE2-CB 3.29Å; E319-R373 PolarHBondContact OE2-N 2.63Å; R373-A375 PolarHBondContact O-N 3.07Å; R373-N376 CarbonylContact O-C 3.6Å; R373-N376 VanDerWaalsContact O-C 3.26Å; R373-N376 PolarHBondContact O-N 3.48Å; R373-S377 PolarHBondContact O-N 3.03Å; R373-S377 VanDerWaalsContact O-N 3.16Å; R373-V403 HydrophobicContact CB-CB 4.28Å; R373-V403 HydrophobicContact CB-CG1 3.85Å; R373-V403 HydrophobicContact CG-CB 4.15Å; R373-V403 HydrophobicContact CG-CG1 4.2Å; R373-D405 VanDerWaalsContact CZ-CG 3.45Å; R373-D405 IonicContact CZ-OD1 2.63Å; R373-D405 IonicContact NE-OD1 2.99Å; R373-D405 PolarHBondContact NE-OD1 2.69Å; R373-D405 IonicContact NH1-OD1 3.04Å; R373-D405 PolarHBondContact NH1-OD1 2.74Å; R373-D405 IonicContact NH2-OD1 2.69Å; R373-D405 PolarHBondContact NH2-OD1 3.35Å; R373-K439 PolarHBondContact NH2-O 2.86Å; R373-K439 VanDerWaalsContact NH2-O 3.08Å; R373-E441 IonicContact NH1-OE1 2.91Å; R373-E441 IonicContact NH1-OE2 3.66Å; R373-E441 PolarHBondContact NH1-OE2 2.99Å
374E91.5Very high94.8Very high55 Ų5542.4 Ų42.426%0.25725%0.249SC..THydrogen-bonded Turntrans-63.7-27.8177.3-71.458.5-117.300111.3D372 K439D372-E374 PolarHBondContact OD1-N 3.29Å; D372-E374 VanDerWaalsContact OD1-N 3.09Å; E374-K439 HydrophobicContact CG-CB 3.72Å; E374-K439 HydrophobicContact CG-CD 4.37Å
375A91.7Very high94.7Very high79 Ų7939.4 Ų39.465%0.65323%0.234SC*.THydrogen-bonded Turntrans-79.2-50.5170.500000112.3D372 R373D372-A375 HydrophobicContact CB-CB 4.02Å; D372-A375 PolarHBondContact O-N 2.91Å; D372-A375 PolarHBondContact OD1-N 3.06Å; R373-A375 PolarHBondContact O-N 3.07Å
376N92.5Very high94.5Very high69 Ų6941.4 Ų41.437%0.36924%0.244SC..  trans-151.2110176.6-170.57.1000112.5D372 R373 V378 H379D372-N376 PolarHBondContact O-N 3.47Å; R373-N376 CarbonylContact O-C 3.6Å; R373-N376 VanDerWaalsContact O-C 3.26Å; R373-N376 PolarHBondContact O-N 3.48Å; N376-V378 PolarHBondContact ND2-O 3.16Å; N376-V378 PolarHBondContact OD1-N 2.94Å; N376-V378 VanDerWaalsContact OD1-N 3.17Å; N376-V378 PolarHBondContact OD1-O 2.94Å; N376-H379 PolarHBondContact ND2-CE1 3.4Å
377S92.3Very high94.3Very high59 Ų5940.6 Ų40.641%0.41324%0.237SC..SBendtrans-80.2-16-179.160.40000114R373 V403R373-S377 PolarHBondContact O-N 3.03Å; R373-S377 VanDerWaalsContact O-N 3.16Å; S377-V403 PolarHBondContact O-N 3.31Å
378V95Very high93.8Very high59 Ų5942.9 Ų42.936%0.35825%0.254SS..EExtended strand (participates in β ladder)trans-142.3121.5-175.3-176.90000111.9N376 L400 I401N376-V378 PolarHBondContact ND2-O 3.16Å; N376-V378 PolarHBondContact OD1-N 2.94Å; N376-V378 VanDerWaalsContact OD1-N 3.17Å; N376-V378 PolarHBondContact OD1-O 2.94Å; V378-L400 HydrophobicContact CG1-CD1 3.34Å; V378-L400 HydrophobicContact CG1-CG 3.99Å; V378-I401 WeakPolarHBondContact CA-O 3.41Å
379H95Very high93.3Very high14 Ų1448.4 Ų48.47%0.06528%0.279CS..EExtended strand (participates in β ladder)trans-104.9123.6172.5-63.3-97.2000110.7F355 F356 N376 L381 I401F355-H379 AromaticContact CD2-CE1 3.73Å; F355-H379 AromaticContact CG-CE1 3.96Å; F356-H379 HydrophobicContact CE2-CB 3.61Å; F356-H379 AromaticContact CE2-CD2 3.85Å; F356-H379 AromaticContact CE2-CG 3.45Å; F356-H379 VanDerWaalsContact CE2-CG 3.45Å; F356-H379 AromaticContact CE2-ND1 3.64Å; F356-H379 HydrophobicContact CZ-CB 4.02Å; F356-H379 AromaticContact CZ-CD2 3.72Å; F356-H379 AromaticContact CZ-CG 3.78Å; N376-H379 PolarHBondContact ND2-CE1 3.4Å; H379-L381 HydrophobicContact CB-CD2 4.49Å; H379-I401 HydrophobicContact CB-CB 4.31Å; H379-I401 PolarHBondContact N-O 3.38Å; H379-I401 PolarHBondContact O-N 3.02Å
380N96Very high92.8Very high95 Ų9546.6 Ų46.651%0.50827%0.273SS..EExtended strand (participates in β ladder)trans-101.8100.4175.2-176.913000109.7I398 L400N380-I398 WeakPolarHBondContact OD1-CG2 3.26Å; N380-L400 HydrophobicContact CB-CD1 4.4Å
381L95.5Very high92.4Very high0 Ų046.5 Ų46.50%027%0.27CS..EExtended strand (participates in β ladder)trans-99.4136.8-176.9-55.8-176.8000111D351 F356 H379 I383 T399 I401D351-L381 HydrophobicContact CB-CD2 3.83Å; F356-L381 HydrophobicContact CB-CD1 3.94Å; F356-L381 HydrophobicContact CD2-CD1 3.6Å; F356-L381 HydrophobicContact CD2-CD2 3.94Å; F356-L381 HydrophobicContact CD2-CG 4.27Å; F356-L381 HydrophobicContact CE2-CD1 4.26Å; F356-L381 HydrophobicContact CE2-CD2 4.39Å; F356-L381 HydrophobicContact CG-CD1 3.77Å; H379-L381 HydrophobicContact CB-CD2 4.49Å; L381-I383 HydrophobicContact CB-CD1 4.23Å; L381-T399 PolarHBondContact N-O 2.91Å; L381-T399 PolarHBondContact O-N 3.01Å; L381-I401 HydrophobicContact CD1-CD1 3.48Å; L381-I401 VanDerWaalsContact CD1-CD1 3.48Å; L381-I401 HydrophobicContact CD1-CG1 4.27Å; L381-I401 HydrophobicContact CG-CD1 4.34Å
382T96.5Very high92.1Very high26 Ų2652.5 Ų52.516%0.1630%0.302CS..EExtended strand (participates in β ladder)trans-97.4118.4164.2-63.80000109D347 T350 L384 K396 G397D347-T382 HydrophobicContact CB-CG2 4.18Å; D347-T382 WeakPolarHBondContact CB-O 3.12Å; D347-T382 PolarHBondContact N-O 3.21Å; T350-T382 WeakPolarHBondContact CG2-OG1 3.38Å; T350-T382 PolarHBondContact OG1-N 2.68Å; T382-L384 HydrophobicContact CG2-CD2 4.15Å; T382-K396 HydrophobicContact CG2-CB 4.27Å; T382-K396 HydrophobicContact CG2-CD 4.46Å; T382-G397 WeakPolarHBondContact CA-O 3.3Å
383I96.4Very high92Very high0 Ų050.2 Ų50.20%029%0.289CS..EExtended strand (participates in β ladder)trans-96.3132.6174-46.5-59.5000108.5F308 V330 Y344 S345 I346 I365 L381 G397 T399F308-I383 HydrophobicContact CE1-CB 4.22Å; F308-I383 HydrophobicContact CE1-CG2 4.13Å; F308-I383 WeakPolarHBondContact CE2-O 3.24Å; F308-I383 HydrophobicContact CZ-CB 3.98Å; F308-I383 HydrophobicContact CZ-CG2 3.91Å; F308-I383 WeakPolarHBondContact CZ-O 3.18Å; V330-I383 HydrophobicContact CG2-CG2 4.09Å; Y344-I383 HydrophobicContact CD1-CG2 4.48Å; S345-I383 CarbonylContact O-C 3.59Å; S345-I383 WeakPolarHBondContact O-CA 3.49Å; S345-I383 WeakPolarHBondContact O-CG2 3.35Å; I346-I383 HydrophobicContact CG1-CD1 3.66Å; I365-I383 HydrophobicContact CD1-CD1 4.02Å; I365-I383 HydrophobicContact CD1-CG1 4.25Å; L381-I383 HydrophobicContact CB-CD1 4.23Å; I383-G397 PolarHBondContact N-O 2.99Å; I383-G397 PolarHBondContact O-N 2.85Å; I383-T399 WeakPolarHBondContact CG1-OG1 3.31Å
384L95.6Very high92Very high27 Ų2752.7 Ų52.714%0.14130%0.303CS..EExtended strand (participates in β ladder)trans-99.1131.8175.8-51.3179000109.1Y344 S345 D347 T382 I386 I394 G395 K396Y344-L384 CarbonylContact C-O 3.56Å; Y344-L384 VanDerWaalsContact CA-O 3.31Å; Y344-L384 WeakPolarHBondContact CA-O 3.48Å; S345-L384 PolarHBondContact N-O 2.75Å; S345-L384 PolarHBondContact O-N 3.1Å; D347-L384 HydrophobicContact CB-CD1 4.41Å; D347-L384 HydrophobicContact CB-CD2 4.39Å; D347-L384 HydrophobicContact CB-CG 4.33Å; T382-L384 HydrophobicContact CG2-CD2 4.15Å; L384-I386 HydrophobicContact CB-CG1 4.34Å; L384-I394 HydrophobicContact CB-CG2 4.12Å; L384-I394 HydrophobicContact CD2-CG2 4.11Å; L384-G395 CarbonylContact C-O 3.57Å; L384-G395 VanDerWaalsContact CA-O 3.3Å; L384-G395 WeakPolarHBondContact CA-O 3.4Å; L384-K396 HydrophobicContact CD2-CD 4.32Å; L384-K396 HydrophobicContact CD2-CG 3.78Å
385A94.8Very high92.1Very high0 Ų050.3 Ų50.30%029%0.294CS..EExtended strand (participates in β ladder)trans-108.7118.3168.200000107.8P306 F308 A332 I342 Y344 I394 G395P306-A385 HydrophobicContact CB-CB 4.02Å; F308-A385 HydrophobicContact CD2-CB 4.37Å; F308-A385 HydrophobicContact CE1-CB 4.42Å; F308-A385 HydrophobicContact CE2-CB 3.56Å; F308-A385 HydrophobicContact CZ-CB 3.6Å; A332-A385 HydrophobicContact CB-CB 3.66Å; I342-A385 HydrophobicContact CG2-CB 3.83Å; Y344-A385 HydrophobicContact CD1-CB 4.24Å; Y344-A385 HydrophobicContact CE1-CB 4.09Å; A385-I394 CarbonylContact O-C 3.58Å; A385-I394 WeakPolarHBondContact O-CA 3.36Å; A385-G395 PolarHBondContact N-O 3.3Å; A385-G395 PolarHBondContact O-N 2.82Å
386I92.9Very high92.2Very high41 Ų4153.8 Ų53.821%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-118.5131.7-171.5-52.6172.1000108.3R343 L384 Q393 I394R343-I386 PolarHBondContact N-O 3.49Å; R343-I386 PolarHBondContact O-N 2.84Å; L384-I386 HydrophobicContact CB-CG1 4.34Å; I386-Q393 WeakPolarHBondContact CA-O 3.47Å; I386-I394 HydrophobicContact CG1-CG1 4.29Å; I386-I394 HydrophobicContact CG1-CG2 4.28Å; I386-I394 HydrophobicContact CG2-CG1 4.48Å
387E91.6Very high92.3Very high7 Ų750.6 Ų50.63%0.03328%0.278CS..EExtended strand (participates in β ladder)trans-67136.3174.2-160.3-167.8164.500110.6N303 P306 S340 L389 D390 Q393N303-E387 PolarHBondContact ND2-OE2 3.12Å; P306-E387 HydrophobicContact CG-CB 4.33Å; S340-E387 WeakPolarHBondContact CB-OE1 3.41Å; S340-E387 PolarHBondContact OG-OE1 3.41Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 2.81Å; E387-D390 CarbonylContact O-C 3.58Å; E387-Q393 HydrophobicContact CB-CB 3.94Å; E387-Q393 PolarHBondContact N-O 3.29Å; E387-Q393 VanDerWaalsContact N-O 3.17Å
388S86.4Confident92.5Very high50 Ų5051.5 Ų51.535%0.3528%0.277SS..SBendtrans-71.4-25-177.2-68.50000113.8G341G341-S388 WeakPolarHBondContact O-CB 3.32Å; G341-S388 PolarHBondContact O-N 3.19Å; G341-S388 PolarHBondContact O-OG 2.95Å
389L84.9Confident92.6Very high141 Ų14148.7 Ų48.774%0.73826%0.26SS*.SBendtrans-94.5-31.3-178-64.4-176.3000112.5S340 E387S340-L389 WeakPolarHBondContact OG-CD1 3.49Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 2.81Å
390D85Confident92.6Very high51 Ų5150.3 Ų50.327%0.27327%0.269SS..  trans-124.299.4172.2-168.5-9.1000111.9E387 N392 Q393E387-D390 CarbonylContact O-C 3.58Å; D390-N392 PolarHBondContact O-N 2.82Å; D390-N392 VanDerWaalsContact OD1-CB 3.31Å; D390-N392 WeakPolarHBondContact OD1-CB 3.39Å; D390-N392 PolarHBondContact OD1-N 2.9Å; D390-N392 PolarHBondContact OD1-ND2 3.19Å; D390-Q393 HydrophobicContact CB-CG 3.94Å; D390-Q393 PolarHBondContact O-N 2.75Å; D390-Q393 VanDerWaalsContact O-N 3.07Å
391P85.7Confident92.7Very high87 Ų8745.8 Ų45.857%0.56525%0.245SC*.THydrogen-bonded Turntrans-63.1-12178.5-22.734000115.1Q393P391-Q393 VanDerWaalsContact C-N 3.3Å
392N88.3Confident92.7Very high138 Ų13848 Ų4874%0.73826%0.259SS*.THydrogen-bonded Turntrans-79.9-16.5176.8-57.1-44.6000112.2D390 I394D390-N392 PolarHBondContact O-N 2.82Å; D390-N392 VanDerWaalsContact OD1-CB 3.31Å; D390-N392 WeakPolarHBondContact OD1-CB 3.39Å; D390-N392 PolarHBondContact OD1-N 2.9Å; D390-N392 PolarHBondContact OD1-ND2 3.19Å; N392-I394 PolarHBondContact O-N 2.94Å
393Q90.9Very high92.7Very high36 Ų3647 Ų4717%0.16825%0.253CS..  trans-86.398178.5-64.5-66.90.500110N303 P305 I386 E387 D390 P391N303-Q393 WeakPolarHBondContact ND2-CG 3.27Å; N303-Q393 PolarHBondContact ND2-NE2 3.31Å; N303-Q393 PolarHBondContact O-NE2 3.45Å; P305-Q393 HydrophobicContact CB-CB 4.47Å; P305-Q393 VanDerWaalsContact N-OE1 3.17Å; I386-Q393 WeakPolarHBondContact CA-O 3.47Å; E387-Q393 HydrophobicContact CB-CB 3.94Å; E387-Q393 PolarHBondContact N-O 3.29Å; E387-Q393 VanDerWaalsContact N-O 3.17Å; D390-Q393 HydrophobicContact CB-CG 3.94Å; D390-Q393 PolarHBondContact O-N 2.75Å; D390-Q393 VanDerWaalsContact O-N 3.07Å; P391-Q393 VanDerWaalsContact C-N 3.3Å
394I93.2Very high92.5Very high72 Ų7250.8 Ų50.837%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-124108.9-171.7-52.4177.1000110.7L384 A385 I386 N392L384-I394 HydrophobicContact CB-CG2 4.12Å; L384-I394 HydrophobicContact CD2-CG2 4.11Å; A385-I394 CarbonylContact O-C 3.58Å; A385-I394 WeakPolarHBondContact O-CA 3.36Å; I386-I394 HydrophobicContact CG1-CG1 4.29Å; I386-I394 HydrophobicContact CG1-CG2 4.28Å; I386-I394 HydrophobicContact CG2-CG1 4.48Å; N392-I394 PolarHBondContact O-N 2.94Å
395G93.5Very high92.3Very high6 Ų651.6 Ų51.66%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-77.8145.616500000112.8P306 L384 A385P306-G395 WeakPolarHBondContact O-CA 3.5Å; L384-G395 CarbonylContact C-O 3.57Å; L384-G395 VanDerWaalsContact CA-O 3.3Å; L384-G395 WeakPolarHBondContact CA-O 3.4Å; A385-G395 PolarHBondContact N-O 3.3Å; A385-G395 PolarHBondContact O-N 2.82Å
396K94.8Very high92.1Very high151 Ų15153.2 Ų53.266%0.65729%0.286SS*.EExtended strand (participates in β ladder)trans-120.8134.4174.2-60.4-172.2179.6-179.10110.8F308 T382 L384F308-K396 VanDerWaalsContact CD2-C 3.5Å; T382-K396 HydrophobicContact CG2-CB 4.27Å; T382-K396 HydrophobicContact CG2-CD 4.46Å; L384-K396 HydrophobicContact CD2-CD 4.32Å; L384-K396 HydrophobicContact CD2-CG 3.78Å
397G94.7Very high91.9Very high3 Ų351.8 Ų51.83%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-132.4143.8175.600000110.5T382 I383T382-G397 WeakPolarHBondContact CA-O 3.3Å; I383-G397 PolarHBondContact N-O 2.99Å; I383-G397 PolarHBondContact O-N 2.85Å
398I95.8Very high91.8Very high77 Ų7755.9 Ų55.940%0.39530%0.301SS..EExtended strand (participates in β ladder)trans-98.8130.2-179.3-59.9176000108.8P311 L312 S313 N380P311-I398 PolarHBondContact O-N 3.44Å; L312-I398 CarbonylContact C-O 3.58Å; L312-I398 WeakPolarHBondContact CA-O 3.11Å; L312-I398 HydrophobicContact CD1-CB 4.04Å; L312-I398 HydrophobicContact CD1-CG2 3.68Å; S313-I398 PolarHBondContact N-O 2.98Å; N380-I398 WeakPolarHBondContact OD1-CG2 3.26Å
399T96.4Very high91.9Very high1 Ų155.4 Ų55.41%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-120.9114.7174.5-56.90000109.8S313 L315 I365 L381 I383 I401S313-T399 CarbonylContact O-C 3.58Å; S313-T399 VanDerWaalsContact O-CA 3.3Å; S313-T399 WeakPolarHBondContact O-CA 3.44Å; L315-T399 HydrophobicContact CD1-CG2 3.67Å; L315-T399 HydrophobicContact CG-CG2 4.08Å; I365-T399 HydrophobicContact CD1-CG2 3.84Å; L381-T399 PolarHBondContact N-O 2.91Å; L381-T399 PolarHBondContact O-N 3.01Å; I383-T399 WeakPolarHBondContact CG1-OG1 3.31Å; T399-I401 HydrophobicContact CG2-CG1 4.05Å
400L96.8Very high92.2Very high47 Ų4750.3 Ų50.325%0.24627%0.273CS..EExtended strand (participates in β ladder)trans-93.9114.3175.4-168.972.1000108.8L312 S313 K314 L315 V378 N380L312-L400 HydrophobicContact CD1-CB 4.38Å; S313-L400 PolarHBondContact O-N 3.32Å; K314-L400 WeakPolarHBondContact CA-O 3.42Å; L315-L400 PolarHBondContact N-O 2.91Å; V378-L400 HydrophobicContact CG1-CD1 3.34Å; V378-L400 HydrophobicContact CG1-CG 3.99Å; N380-L400 HydrophobicContact CB-CD1 4.4Å
401I96.6Very high92.4Very high0 Ų047.9 Ų47.90%026%0.26CS..EExtended strand (participates in β ladder)trans-104115.2176.1-54.9-176.6000108.4L315 V317 I327 F356 I365 V378 H379 L381 T399L315-I401 HydrophobicContact CB-CG1 4.33Å; L315-I401 CarbonylContact O-C 3.52Å; L315-I401 VanDerWaalsContact O-CA 3.31Å; L315-I401 WeakPolarHBondContact O-CA 3.31Å; V317-I401 HydrophobicContact CB-CG2 4.37Å; V317-I401 HydrophobicContact CG1-CG2 3.52Å; I327-I401 HydrophobicContact CD1-CD1 4.09Å; I327-I401 HydrophobicContact CD1-CG2 4.46Å; F356-I401 HydrophobicContact CD1-CD1 3.63Å; F356-I401 HydrophobicContact CD2-CD1 4.32Å; F356-I401 HydrophobicContact CE1-CD1 3.52Å; F356-I401 HydrophobicContact CE1-CG2 4.06Å; F356-I401 HydrophobicContact CE2-CD1 4.22Å; F356-I401 HydrophobicContact CG-CD1 4.03Å; F356-I401 HydrophobicContact CZ-CB 4.37Å; F356-I401 HydrophobicContact CZ-CD1 3.84Å; F356-I401 HydrophobicContact CZ-CG2 4.09Å; I365-I401 HydrophobicContact CG2-CD1 4.17Å; V378-I401 WeakPolarHBondContact CA-O 3.41Å; H379-I401 HydrophobicContact CB-CB 4.31Å; H379-I401 PolarHBondContact N-O 3.38Å; H379-I401 PolarHBondContact O-N 3.02Å; L381-I401 HydrophobicContact CD1-CD1 3.48Å; L381-I401 VanDerWaalsContact CD1-CD1 3.48Å; L381-I401 HydrophobicContact CD1-CG1 4.27Å; L381-I401 HydrophobicContact CG-CD1 4.34Å; T399-I401 HydrophobicContact CG2-CG1 4.05Å
402T96.1Very high92.6Very high48 Ų4846.9 Ų46.929%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-94.7124.6172.7-58.50000109.4L315 N316 V317L315-T402 PolarHBondContact O-N 2.96Å; N316-T402 WeakPolarHBondContact CA-O 3.32Å; V317-T402 PolarHBondContact N-O 3.05Å
403V95.5Very high92.8Very high5 Ų541 Ų413%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-83.8123.9175.5-170.60000108.2V317 E319 L371 R373 S377V317-V403 HydrophobicContact CG1-CG2 4.27Å; V317-V403 CarbonylContact O-C 3.6Å; V317-V403 VanDerWaalsContact O-CA 3.27Å; V317-V403 WeakPolarHBondContact O-CA 3.38Å; E319-V403 HydrophobicContact CB-CG1 3.64Å; L371-V403 HydrophobicContact CB-CG1 4.29Å; L371-V403 HydrophobicContact CD1-CG2 4.37Å; R373-V403 HydrophobicContact CB-CB 4.28Å; R373-V403 HydrophobicContact CB-CG1 3.85Å; R373-V403 HydrophobicContact CG-CB 4.15Å; R373-V403 HydrophobicContact CG-CG1 4.2Å; S377-V403 PolarHBondContact O-N 3.31Å
404L93.3Very high92.6Very high79 Ų7941.1 Ų41.141%0.41423%0.228SC..EExtended strand (participates in β ladder)trans-86.8137.2177.8-56.3177.7000109.3N316 V317 E319N316-L404 HydrophobicContact CB-CD1 4.12Å; N316-L404 HydrophobicContact CB-CD2 4.28Å; N316-L404 HydrophobicContact CB-CG 4.19Å; V317-L404 PolarHBondContact O-N 2.98Å; E319-L404 PolarHBondContact N-O 2.96Å; E319-L404 VanDerWaalsContact N-O 3.14Å
405D90.9Very high92.4Very high43 Ų4342.7 Ų42.723%0.2324%0.236CC..PPolyproline II helixtrans-66.9139.1-179.9-172.764000113.5E319 R373 E441E319-D405 WeakPolarHBondContact OE1-CA 3.49Å; R373-D405 VanDerWaalsContact CZ-CG 3.45Å; R373-D405 IonicContact CZ-OD1 2.63Å; R373-D405 IonicContact NE-OD1 2.99Å; R373-D405 PolarHBondContact NE-OD1 2.69Å; R373-D405 IonicContact NH1-OD1 3.04Å; R373-D405 PolarHBondContact NH1-OD1 2.74Å; R373-D405 IonicContact NH2-OD1 2.69Å; R373-D405 PolarHBondContact NH2-OD1 3.35Å; D405-E441 HydrophobicContact CB-CB 4.24Å; D405-E441 VanDerWaalsContact CG-N 3.34Å; D405-E441 PolarHBondContact OD1-N 3.42Å; D405-E441 PolarHBondContact OD2-N 3.19Å
406V90.4Very high92.1Very high34 Ų3449.8 Ų49.821%0.20627%0.272CS..  trans-130.7131.6171175.50000107.1S318 E319 D320 D408S318-V406 VanDerWaalsContact OG-CG2 3.28Å; S318-V406 WeakPolarHBondContact OG-CG2 3.25Å; E319-V406 HydrophobicContact CG-CB 3.87Å; E319-V406 HydrophobicContact CG-CG2 3.98Å; E319-V406 PolarHBondContact OE1-N 3.19Å; D320-V406 HydrophobicContact CB-CG1 4.39Å; D320-V406 HydrophobicContact CB-CG2 4.04Å; V406-D408 VanDerWaalsContact C-N 3.31Å; V406-D408 PolarHBondContact O-N 3.42Å
407N89.2Confident91.7Very high11 Ų1143.8 Ų43.86%0.05925%0.245CC..  trans-69.485-177.8-170.5106000111.9D440 D497 G499 P501 L503N407-D440 WeakPolarHBondContact CA-OD2 3.49Å; N407-D440 PolarHBondContact OD1-OD2 3.26Å; N407-D497 PolarHBondContact ND2-OD2 2.94Å; N407-G499 WeakPolarHBondContact OD1-CA 3.31Å; N407-P501 PolarHBondContact ND2-O 3.3Å; N407-P501 VanDerWaalsContact ND2-O 3.08Å; N407-L503 WeakPolarHBondContact O-CD1 3.36Å
408D89.3Confident91.3Very high93 Ų9349.2 Ų49.250%0.49727%0.27SS..  trans-114.4-7.7-177.289-19.3000113.3V406 D440 L503V406-D408 VanDerWaalsContact C-N 3.31Å; V406-D408 PolarHBondContact O-N 3.42Å; D408-D440 PolarHBondContact N-OD2 3.31Å; D408-D440 VanDerWaalsContact N-OD2 3.12Å; D408-L503 WeakPolarHBondContact O-CD1 3.49Å
409N89.4Confident90.9Very high40 Ų4046 Ų4621%0.21425%0.254CS..SBendtrans-99.7141.7171.1-64.3-83.6000110.6K439 D440 L503N409-K439 HydrophobicContact CB-CB 4.15Å; N409-D440 VanDerWaalsContact CB-OD1 3.3Å; N409-D440 WeakPolarHBondContact CB-OD1 3.27Å; N409-D440 PolarHBondContact N-OD1 3.19Å; N409-D440 PolarHBondContact N-OD2 3.3Å; N409-D440 PolarHBondContact ND2-OD1 3.39Å; N409-L503 WeakPolarHBondContact O-CD1 3.4Å
410A89.7Confident90.4Very high35 Ų3549.8 Ų49.829%0.28927%0.274SS..PPolyproline II helixtrans-93.8144173.100000109.5V412 L503A410-V412 PolarHBondContact O-N 3.08Å; A410-L503 HydrophobicContact CB-CB 3.91Å
411P90.8Very high90Very high0 Ų047.6 Ų47.60%026%0.262CS..PPolyproline II helixtrans-69.6132.5-178.627.5-35.5000110.8V437 D438 F448 I495 D497 S505P411-V437 WeakPolarHBondContact CA-O 3.18Å; P411-D438 HydrophobicContact CB-CB 4.34Å; P411-D438 WeakPolarHBondContact CB-OD2 3.42Å; P411-D438 WeakPolarHBondContact CD-OD2 3.43Å; P411-F448 HydrophobicContact CB-CD1 3.51Å; P411-F448 HydrophobicContact CB-CE1 3.43Å; P411-F448 VanDerWaalsContact CB-CE1 3.43Å; P411-F448 HydrophobicContact CB-CG 4.35Å; P411-F448 HydrophobicContact CB-CZ 4.19Å; P411-F448 HydrophobicContact CG-CD1 3.94Å; P411-F448 HydrophobicContact CG-CE1 4.21Å; P411-I495 HydrophobicContact CB-CG2 3.94Å; P411-I495 HydrophobicContact CG-CB 4.28Å; P411-I495 HydrophobicContact CG-CG2 3.79Å; P411-D497 HydrophobicContact CG-CB 3.98Å; P411-S505 WeakPolarHBondContact O-CB 3.33Å; P411-S505 PolarHBondContact O-OG 3.38Å
412V89.7Confident89.4Confident65 Ų6547.8 Ų47.839%0.39426%0.264SS..EExtended strand (participates in β ladder)trans-117.6163.6-179.2-660000111.2A410 A414 A436 V437A410-V412 PolarHBondContact O-N 3.08Å; V412-A414 PolarHBondContact O-N 3Å; V412-A436 CarbonylContact O-C 3.56Å; V412-A436 WeakPolarHBondContact O-CA 3.45Å; V412-A436 VanDerWaalsContact O-CB 3.3Å; V412-A436 WeakPolarHBondContact O-CB 3.47Å; V412-V437 HydrophobicContact CG2-CG2 4.04Å; V412-V437 PolarHBondContact N-O 3.04Å; V412-V437 PolarHBondContact O-N 3.48Å
413F91.2Very high88.8Confident16 Ų1648.3 Ų48.37%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-56.3136.8171.7-73.9-22000111.3I415 Y417 I434 V493 I495 N507F413-I415 VanDerWaalsContact CB-O 3.23Å; F413-I415 WeakPolarHBondContact CB-O 3.49Å; F413-I415 PolarHBondContact O-N 3.19Å; F413-Y417 HydrophobicContact CB-CD2 4.09Å; F413-Y417 HydrophobicContact CB-CE2 4.03Å; F413-Y417 HydrophobicContact CD1-CD2 4.23Å; F413-Y417 HydrophobicContact CD1-CE2 4.28Å; F413-Y417 AromaticContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CE2 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.21Å; F413-Y417 AromaticContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CE2 4.06Å; F413-I434 HydrophobicContact CE1-CB 4.44Å; F413-I434 HydrophobicContact CE1-CD1 3.78Å; F413-I434 HydrophobicContact CZ-CD1 4.15Å; F413-V493 HydrophobicContact CE1-CB 4.21Å; F413-V493 HydrophobicContact CE1-CG1 4.37Å; F413-V493 HydrophobicContact CZ-CB 3.9Å; F413-V493 HydrophobicContact CZ-CG2 4.11Å; F413-I495 HydrophobicContact CD1-CD1 3.38Å; F413-I495 HydrophobicContact CE1-CD1 3.57Å; F413-I495 HydrophobicContact CE1-CG1 4.27Å; F413-I495 HydrophobicContact CG-CD1 4.39Å; F413-N507 HydrophobicContact CD1-CB 4.01Å; F413-N507 HydrophobicContact CD2-CB 3.38Å; F413-N507 HydrophobicContact CE1-CB 3.95Å; F413-N507 HydrophobicContact CE2-CB 3.33Å; F413-N507 HydrophobicContact CG-CB 3.71Å; F413-N507 HydrophobicContact CZ-CB 3.62Å; F413-N507 PolarHBondContact N-ND2 3.04Å
414A88.2Confident88.1Confident38 Ų3852.5 Ų52.531%0.31429%0.285SS..SBendtrans-58.5-33176.500000112V412 S435 V437V412-A414 PolarHBondContact O-N 3Å; A414-S435 VanDerWaalsContact CB-OG 3.3Å; A414-S435 WeakPolarHBondContact CB-OG 3.5Å; A414-S435 PolarHBondContact N-O 2.91Å; A414-V437 HydrophobicContact CB-CG1 3.8Å
415I88.4Confident87.7Confident105 Ų10548.9 Ų48.954%0.53827%0.266SS..SBendtrans-147.5162.7175.358.2172000110.1F413 Y417F413-I415 VanDerWaalsContact CB-O 3.23Å; F413-I415 WeakPolarHBondContact CB-O 3.49Å; F413-I415 PolarHBondContact O-N 3.19Å; I415-Y417 HydrophobicContact CD1-CD1 4.13Å; I415-Y417 HydrophobicContact CD1-CE1 3.69Å; I415-Y417 HydrophobicContact CG1-CD1 4.01Å; I415-Y417 HydrophobicContact CG1-CD2 4.35Å; I415-Y417 HydrophobicContact CG1-CE1 3.55Å; I415-Y417 HydrophobicContact CG1-CE2 3.93Å; I415-Y417 HydrophobicContact CG1-CG 4.37Å; I415-Y417 VanDerWaalsContact CG1-CZ 3.48Å; I415-Y417 WeakPolarHBondContact O-CD2 3.47Å; I415-Y417 WeakPolarHBondContact O-CE2 3.41Å; I415-Y417 PolarHBondContact O-N 3.03Å; I415-Y417 VanDerWaalsContact O-N 3.13Å
416D87Confident87.3Confident155 Ų15553.5 Ų53.583%0.82929%0.288SS*.  trans-68.3110.4168.7-71.2-37.9000110.5
417Y87.1Confident87.1Confident24 Ų2456 Ų569%0.09431%0.305CS..  trans-86.9122.7178.4-66.1-78000111.7F413 I415 Q432 I434 S435 L509F413-Y417 HydrophobicContact CB-CD2 4.09Å; F413-Y417 HydrophobicContact CB-CE2 4.03Å; F413-Y417 HydrophobicContact CD1-CD2 4.23Å; F413-Y417 HydrophobicContact CD1-CE2 4.28Å; F413-Y417 AromaticContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CE2 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.21Å; F413-Y417 AromaticContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CE2 4.06Å; I415-Y417 HydrophobicContact CD1-CD1 4.13Å; I415-Y417 HydrophobicContact CD1-CE1 3.69Å; I415-Y417 HydrophobicContact CG1-CD1 4.01Å; I415-Y417 HydrophobicContact CG1-CD2 4.35Å; I415-Y417 HydrophobicContact CG1-CE1 3.55Å; I415-Y417 HydrophobicContact CG1-CE2 3.93Å; I415-Y417 HydrophobicContact CG1-CG 4.37Å; I415-Y417 VanDerWaalsContact CG1-CZ 3.48Å; I415-Y417 WeakPolarHBondContact O-CD2 3.47Å; I415-Y417 WeakPolarHBondContact O-CE2 3.41Å; I415-Y417 PolarHBondContact O-N 3.03Å; I415-Y417 VanDerWaalsContact O-N 3.13Å; Y417-Q432 HydrophobicContact CD1-CG 4.38Å; Y417-I434 HydrophobicContact CD1-CG2 4.1Å; Y417-I434 HydrophobicContact CD2-CB 3.99Å; Y417-I434 HydrophobicContact CD2-CG2 3.66Å; Y417-I434 HydrophobicContact CE1-CG2 4.42Å; Y417-I434 HydrophobicContact CE2-CB 3.85Å; Y417-I434 HydrophobicContact CE2-CG2 4.01Å; Y417-I434 HydrophobicContact CG-CB 4.47Å; Y417-I434 HydrophobicContact CG-CG2 3.72Å; Y417-S435 PolarHBondContact OH-N 3.42Å; Y417-S435 PolarHBondContact OH-OG 2.79Å; Y417-L509 VanDerWaalsContact CB-CD1 3.46Å; Y417-L509 WeakPolarHBondContact O-CD1 3.36Å
418E85.9Confident86.9Confident117 Ų11757.8 Ų57.855%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-119.2137.9158.6-64.3-156.6166.300108.8R512E418-R512 IonicContact OE1-NH2 3.42Å; E418-R512 IonicContact OE2-CZ 3.37Å; E418-R512 IonicContact OE2-NE 3.93Å; E418-R512 IonicContact OE2-NH2 3.73Å; E418-R512 PolarHBondContact OE2-NH2 3.1Å
419T86.8Confident86.8Confident9 Ų956.9 Ų56.96%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-133.7152.8178.7-171.80000111.8I431 Q432 L509 S510 V511 R512T419-I431 HydrophobicContact CG2-CD1 4.44Å; T419-I431 PolarHBondContact OG1-O 3.33Å; T419-Q432 HydrophobicContact CG2-CB 3.96Å; T419-Q432 HydrophobicContact CG2-CG 4.48Å; T419-Q432 PolarHBondContact OG1-OE1 2.91Å; T419-L509 HydrophobicContact CG2-CD1 4.1Å; T419-L509 HydrophobicContact CG2-CD2 4.39Å; T419-L509 HydrophobicContact CG2-CG 4.42Å; T419-S510 PolarHBondContact N-O 2.8Å; T419-V511 HydrophobicContact CG2-CB 4.14Å; T419-V511 HydrophobicContact CG2-CG1 4.11Å; T419-V511 HydrophobicContact CG2-CG2 3.69Å; T419-V511 CarbonylContact O-C 3.46Å; T419-V511 WeakPolarHBondContact O-CA 3.21Å; T419-R512 PolarHBondContact O-N 2.87Å
420L86.5Confident86.8Confident81 Ų8157.8 Ų57.842%0.42433%0.326SS..EExtended strand (participates in β ladder)trans-105.6127.8-179.7-55.4-177.9000109.1R512 A522L420-R512 CarbonylContact C-O 3.59Å; L420-R512 WeakPolarHBondContact CA-O 3.37Å; L420-R512 HydrophobicContact CD2-CB 3.98Å; L420-A522 HydrophobicContact CB-CB 3.86Å
421L87.8Confident86.7Confident1 Ų157.2 Ų57.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-106.6128177.1178.467.9000109.5S425 I431 F462 T476 F481 V511 R512 V513 C514L421-S425 WeakPolarHBondContact CD1-OG 3.49Å; L421-I431 HydrophobicContact CD1-CD1 4.48Å; L421-I431 HydrophobicContact CD1-CG2 3.7Å; L421-F462 HydrophobicContact CD2-CE1 3.74Å; L421-F462 HydrophobicContact CD2-CZ 3.68Å; L421-T476 HydrophobicContact CD1-CG2 3.74Å; L421-F481 HydrophobicContact CD1-CD2 4.35Å; L421-F481 HydrophobicContact CD1-CE2 4.39Å; L421-F481 HydrophobicContact CD2-CB 4.08Å; L421-F481 HydrophobicContact CD2-CD1 3.54Å; L421-F481 HydrophobicContact CD2-CD2 3.67Å; L421-F481 HydrophobicContact CD2-CE1 3.78Å; L421-F481 HydrophobicContact CD2-CE2 3.9Å; L421-F481 HydrophobicContact CD2-CG 3.48Å; L421-F481 VanDerWaalsContact CD2-CG 3.48Å; L421-F481 HydrophobicContact CD2-CZ 3.96Å; L421-F481 HydrophobicContact CG-CD2 4.22Å; L421-F481 HydrophobicContact CG-CG 4.29Å; L421-V511 HydrophobicContact CB-CG1 3.55Å; L421-V511 HydrophobicContact CD2-CG1 4.13Å; L421-V511 HydrophobicContact CG-CG1 4.44Å; L421-R512 PolarHBondContact N-O 3.26Å; L421-V513 HydrophobicContact CD2-CG2 4.24Å; L421-V513 CarbonylContact O-C 3.54Å; L421-V513 VanDerWaalsContact O-CA 3.28Å; L421-V513 WeakPolarHBondContact O-CA 3.41Å; L421-C514 PolarHBondContact O-N 2.82Å
422C84.8Confident86.7Confident5 Ų559.6 Ų59.63%0.03433%0.329CS..EExtended strand (participates in β ladder)trans-78.1138.6176.4168.70000111.3N424 S425 C516C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 PolarHBondContact SG-N 3.48Å; C422-N424 PolarHBondContact SG-OD1 2.84Å; C422-S425 VanDerWaalsContact O-CB 3.29Å; C422-S425 WeakPolarHBondContact O-CB 3.34Å; C422-S425 PolarHBondContact O-N 3.41Å; C422-S425 VanDerWaalsContact O-N 3.11Å; C422-S425 PolarHBondContact O-OG 2.9Å; C422-C516 VanDerWaalsContact C-SG 3.57Å; C422-C516 WeakPolarHBondContact CA-SG 3.32Å; C422-C516 HydrophobicContact CB-CB 4.02Å; C422-C516 WeakPolarHBondContact CB-SG 3.47Å; C422-C516 WeakPolarHBondContact SG-CB 3.41Å; C422-C516 CovalentContact SG-SG 1.97Å; C422-C516 PolarHBondContact SG-SG 2.85Å
423E83Confident86.8Confident59 Ų5959.6 Ų59.628%0.27633%0.329SS..THydrogen-bonded Turntrans-57.3-33.7177.3-72.5-160.8145.300113.5S425 F481 R483 V513 C514 C516E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.68Å; E423-F481 CarbonylContact C-O 3.59Å; E423-F481 WeakPolarHBondContact CA-O 3.45Å; E423-F481 WeakPolarHBondContact CB-O 3.25Å; E423-F481 VanDerWaalsContact CG-O 3.29Å; E423-F481 WeakPolarHBondContact CG-O 3.05Å; E423-F481 PolarHBondContact O-N 3.04Å; E423-R483 WeakPolarHBondContact OE1-CB 3.4Å; E423-R483 PolarHBondContact OE1-N 3.5Å; E423-V513 HydrophobicContact CG-CG1 3.7Å; E423-C514 PolarHBondContact N-O 2.94Å; E423-C514 VanDerWaalsContact N-O 3.13Å; E423-C516 PolarHBondContact N-SG 3.13Å
424N80.8Confident86.9Confident93 Ų9358.9 Ų58.950%0.49733%0.326SS..THydrogen-bonded Turntrans-86.97.1-179.779.917000114.2C422 M426C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 PolarHBondContact SG-N 3.48Å; C422-N424 PolarHBondContact SG-OD1 2.84Å; N424-M426 PolarHBondContact O-N 3.46Å
425S84.1Confident87Confident3 Ų358.8 Ų58.82%0.02132%0.323CS..PPolyproline II helixtrans-54.3133.4-178-73.40000112.7L421 C422 E423 Q429 G479L421-S425 WeakPolarHBondContact CD1-OG 3.49Å; C422-S425 VanDerWaalsContact O-CB 3.29Å; C422-S425 WeakPolarHBondContact O-CB 3.34Å; C422-S425 PolarHBondContact O-N 3.41Å; C422-S425 VanDerWaalsContact O-N 3.11Å; C422-S425 PolarHBondContact O-OG 2.9Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.68Å; S425-Q429 PolarHBondContact OG-OE1 2.82Å; S425-G479 VanDerWaalsContact O-CA 3.26Å; S425-G479 WeakPolarHBondContact O-CA 3.39Å
426M83.7Confident87Confident139 Ų13954.3 Ų54.369%0.68530%0.301SS*.PPolyproline II helixtrans-84.7154.9-179.9-56.6-170.2-157.600110.9N424 G428 Q429 T476N424-M426 PolarHBondContact O-N 3.46Å; M426-G428 PolarHBondContact O-N 2.89Å; M426-Q429 WeakPolarHBondContact O-CB 2.89Å; M426-Q429 PolarHBondContact O-N 3.17Å; M426-T476 PolarHBondContact O-OG1 3.5Å
427P86.7Confident87.1Confident86 Ų8650.4 Ų50.456%0.55828%0.283SS*.THydrogen-bonded Turntrans-58.3136169.7-19.931000111.6
428G83.8Confident87.2Confident49 Ų4950.5 Ų50.551%0.50529%0.285SS..THydrogen-bonded Turntrans86.94178.700000115.1M426 L475 T476M426-G428 PolarHBondContact O-N 2.89Å; G428-L475 WeakPolarHBondContact O-CD2 3.38Å; G428-T476 WeakPolarHBondContact CA-O 3.42Å; G428-T476 PolarHBondContact N-O 2.92Å; G428-T476 PolarHBondContact N-OG1 3.18Å
429Q87.3Confident87.4Confident74 Ų7452 Ų5235%0.34629%0.29SS..  trans-75.5131.6177.4-175.9176.2-6.400110.7S425 M426 L475 T476S425-Q429 PolarHBondContact OG-OE1 2.82Å; M426-Q429 WeakPolarHBondContact O-CB 2.89Å; M426-Q429 PolarHBondContact O-N 3.17Å; Q429-L475 WeakPolarHBondContact O-CA 3.47Å; Q429-T476 PolarHBondContact N-OG1 2.8Å; Q429-T476 PolarHBondContact O-N 3.44Å; Q429-T476 VanDerWaalsContact O-N 3.09Å; Q429-T476 PolarHBondContact O-OG1 3.5Å
430V89.2Confident87.5Confident59 Ų5951.7 Ų51.736%0.35829%0.288SS..EExtended strand (participates in β ladder)trans-75.5124.5171178.50000108.8I474 L475V430-I474 WeakPolarHBondContact CA-O 3.47Å; V430-L475 HydrophobicContact CG2-CD2 3.75Å; V430-L475 HydrophobicContact CG2-CG 3.94Å
431I88.8Confident87.4Confident23 Ų2352.7 Ų52.712%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-107.2-28.6-176.461169.4000112.9T419 L421 F462 I474 T476 V511T419-I431 HydrophobicContact CG2-CD1 4.44Å; T419-I431 PolarHBondContact OG1-O 3.33Å; L421-I431 HydrophobicContact CD1-CD1 4.48Å; L421-I431 HydrophobicContact CD1-CG2 3.7Å; I431-F462 HydrophobicContact CD1-CD1 3.72Å; I431-F462 HydrophobicContact CD1-CE1 3.58Å; I431-I474 HydrophobicContact CD1-CB 4.5Å; I431-I474 HydrophobicContact CD1-CG2 3.87Å; I431-I474 HydrophobicContact CG1-CB 4.04Å; I431-I474 HydrophobicContact CG1-CG2 3.91Å; I431-I474 WeakPolarHBondContact CG1-O 3.36Å; I431-I474 PolarHBondContact N-O 3.36Å; I431-T476 HydrophobicContact CG2-CG2 3.86Å; I431-V511 HydrophobicContact CD1-CG1 4.08Å; I431-V511 HydrophobicContact CD1-CG2 4.28Å
432Q89.9Confident86.7Confident51 Ų5156 Ų5624%0.23831%0.312CS..EExtended strand (participates in β ladder)trans-157.1141.3177.8-172.559.236.200109.3Y417 T419 I434 I474 L509Y417-Q432 HydrophobicContact CD1-CG 4.38Å; T419-Q432 HydrophobicContact CG2-CB 3.96Å; T419-Q432 HydrophobicContact CG2-CG 4.48Å; T419-Q432 PolarHBondContact OG1-OE1 2.91Å; Q432-I434 HydrophobicContact CG-CG2 4.06Å; Q432-I474 PolarHBondContact O-N 3.28Å; Q432-L509 HydrophobicContact CG-CD1 4.46Å
433T92.3Very high85.7Confident64 Ų6463.5 Ų63.539%0.39335%0.351SS..EExtended strand (participates in β ladder)trans-102.6128.5163.6-55.50000108.1T471 A472T433-T471 HydrophobicContact CG2-CG2 4.48Å; T433-A472 CarbonylContact C-O 3.53Å; T433-A472 WeakPolarHBondContact CA-O 3.32Å
434I92.1Very high84.5Confident1 Ų168.4 Ų68.41%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-110.9146.8177.857.5170.1000109.5F413 Y417 Q432 F450 L464 T471 A472 I474 V493F413-I434 HydrophobicContact CE1-CB 4.44Å; F413-I434 HydrophobicContact CE1-CD1 3.78Å; F413-I434 HydrophobicContact CZ-CD1 4.15Å; Y417-I434 HydrophobicContact CD1-CG2 4.1Å; Y417-I434 HydrophobicContact CD2-CB 3.99Å; Y417-I434 HydrophobicContact CD2-CG2 3.66Å; Y417-I434 HydrophobicContact CE1-CG2 4.42Å; Y417-I434 HydrophobicContact CE2-CB 3.85Å; Y417-I434 HydrophobicContact CE2-CG2 4.01Å; Y417-I434 HydrophobicContact CG-CB 4.47Å; Y417-I434 HydrophobicContact CG-CG2 3.72Å; Q432-I434 HydrophobicContact CG-CG2 4.06Å; I434-F450 HydrophobicContact CD1-CD1 4.05Å; I434-F450 HydrophobicContact CD1-CE1 4.34Å; I434-L464 HydrophobicContact CD1-CD1 4.46Å; I434-T471 CarbonylContact O-C 3.56Å; I434-T471 VanDerWaalsContact O-CA 3.22Å; I434-T471 WeakPolarHBondContact O-CA 3.16Å; I434-T471 WeakPolarHBondContact O-CB 3.19Å; I434-A472 HydrophobicContact CD1-CB 4.21Å; I434-A472 HydrophobicContact CG1-CB 3.89Å; I434-A472 VanDerWaalsContact CG1-O 3.3Å; I434-A472 WeakPolarHBondContact CG1-O 3.49Å; I434-A472 PolarHBondContact N-O 3.49Å; I434-A472 PolarHBondContact O-N 2.84Å; I434-I474 HydrophobicContact CD1-CD1 4.24Å; I434-V493 HydrophobicContact CD1-CB 4.43Å; I434-V493 HydrophobicContact CD1-CG1 3.85Å; I434-V493 HydrophobicContact CD1-CG2 4.15Å
435S91.4Very high83.6Confident36 Ų3665 Ų6525%0.25237%0.366SS..EExtended strand (participates in β ladder)trans-128.5158.8172.163.80000110.2A414 Y417A414-S435 VanDerWaalsContact CB-OG 3.3Å; A414-S435 WeakPolarHBondContact CB-OG 3.5Å; A414-S435 PolarHBondContact N-O 2.91Å; Y417-S435 PolarHBondContact OH-N 3.42Å; Y417-S435 PolarHBondContact OH-OG 2.79Å
436A88.8Confident83Confident11 Ų1165.9 Ų65.99%0.09137%0.37CS..EExtended strand (participates in β ladder)trans-121.1157.2177.300000110.7V412 F448 F450 I495V412-A436 CarbonylContact O-C 3.56Å; V412-A436 WeakPolarHBondContact O-CA 3.45Å; V412-A436 VanDerWaalsContact O-CB 3.3Å; V412-A436 WeakPolarHBondContact O-CB 3.47Å; A436-F448 HydrophobicContact CB-CD2 3.66Å; A436-F448 HydrophobicContact CB-CE2 3.95Å; A436-F448 HydrophobicContact CB-CG 4.1Å; A436-F448 VanDerWaalsContact O-CE2 3.31Å; A436-F448 WeakPolarHBondContact O-CE2 3.47Å; A436-F450 HydrophobicContact CB-CE1 3.93Å; A436-F450 HydrophobicContact CB-CZ 3.76Å; A436-I495 HydrophobicContact CB-CD1 4.04Å; A436-I495 HydrophobicContact CB-CG2 3.85Å
437V88.7Confident83Confident74 Ų7464.4 Ų64.445%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-128.7146.7172-65.50000108.6P411 V412 A414P411-V437 WeakPolarHBondContact CA-O 3.18Å; V412-V437 HydrophobicContact CG2-CG2 4.04Å; V412-V437 PolarHBondContact N-O 3.04Å; V412-V437 PolarHBondContact O-N 3.48Å; A414-V437 HydrophobicContact CB-CG1 3.8Å
438D89.8Confident83.1Confident25 Ų2560.4 Ų60.413%0.13433%0.33CS..  trans-126.5150.3174.2-150-38000108.2P411 D440 F448P411-D438 HydrophobicContact CB-CB 4.34Å; P411-D438 WeakPolarHBondContact CB-OD2 3.42Å; P411-D438 WeakPolarHBondContact CD-OD2 3.43Å; D438-D440 PolarHBondContact OD1-N 3.03Å; D438-F448 HydrophobicContact CB-CE1 3.77Å; D438-F448 HydrophobicContact CB-CZ 3.74Å
439K88.4Confident83.3Confident148 Ų14862.1 Ų62.164%0.64333%0.328SS*.SBendtrans-87.5-21.8178.6-67-175.6177.4179.20112.2R373 E374 N409R373-K439 PolarHBondContact NH2-O 2.86Å; R373-K439 VanDerWaalsContact NH2-O 3.08Å; E374-K439 HydrophobicContact CG-CB 3.72Å; E374-K439 HydrophobicContact CG-CD 4.37Å; N409-K439 HydrophobicContact CB-CB 4.15Å
440D89.4Confident83.5Confident4 Ų459 Ų592%0.02131%0.313CS..SBendtrans-71159.1-179.1-57.5-16.3000111.5N407 D408 N409 D438N407-D440 WeakPolarHBondContact CA-OD2 3.49Å; N407-D440 PolarHBondContact OD1-OD2 3.26Å; D408-D440 PolarHBondContact N-OD2 3.31Å; D408-D440 VanDerWaalsContact N-OD2 3.12Å; N409-D440 VanDerWaalsContact CB-OD1 3.3Å; N409-D440 WeakPolarHBondContact CB-OD1 3.27Å; N409-D440 PolarHBondContact N-OD1 3.19Å; N409-D440 PolarHBondContact N-OD2 3.3Å; N409-D440 PolarHBondContact ND2-OD1 3.39Å; D438-D440 PolarHBondContact OD1-N 3.03Å
441E84.1Confident83.4Confident101 Ų10157.9 Ų57.947%0.47231%0.311SS..SBendtrans-84.2141.4179.1-104.5178.9-179.100113.7R373 D405 H446R373-E441 IonicContact NH1-OE1 2.91Å; R373-E441 IonicContact NH1-OE2 3.66Å; R373-E441 PolarHBondContact NH1-OE2 2.99Å; D405-E441 HydrophobicContact CB-CB 4.24Å; D405-E441 VanDerWaalsContact CG-N 3.34Å; D405-E441 PolarHBondContact OD1-N 3.42Å; D405-E441 PolarHBondContact OD2-N 3.19Å; E441-H446 PolarHBondContact O-CE1 3.11Å; E441-H446 PolarHBondContact O-NE2 3.39Å
442P73.2Confident83.3Confident70 Ų7058.2 Ų58.246%0.45531%0.312SS..PPolyproline II helixcis-88153.722.331.1-34.7000114.5D444 G445P442-D444 PolarHBondContact O-N 3.23Å; P442-D444 VanDerWaalsContact O-N 3.09Å; P442-G445 VanDerWaalsContact O-CA 3.3Å; P442-G445 WeakPolarHBondContact O-CA 3.42Å; P442-G445 PolarHBondContact O-N 3Å
443L63.8Low83.1Confident164 Ų16457.3 Ų57.386%0.85931%0.309SS*.THydrogen-bonded Turntrans-54.3-27.4176.9-75.8156.1000114.6G445L443-G445 PolarHBondContact O-N 3.31Å
444D59.3Low82.3Confident161 Ų16158.5 Ų58.586%0.86133%0.326SS*.THydrogen-bonded Turntrans-76.92.6173.6-68.6-32.9000113.2P442P442-D444 PolarHBondContact O-N 3.23Å; P442-D444 VanDerWaalsContact O-N 3.09Å
445G61.2Low81.4Confident22 Ų2264 Ų6423%0.22736%0.36CS..  trans85.3146.6177.100000114.2P442 L443P442-G445 VanDerWaalsContact O-CA 3.3Å; P442-G445 WeakPolarHBondContact O-CA 3.42Å; P442-G445 PolarHBondContact O-N 3Å; L443-G445 PolarHBondContact O-N 3.31Å
446H72.1Confident80.6Confident22 Ų2263.6 Ų63.610%0.10236%0.355CS..  trans-60.1159.7163.8-71.9-65.1000111.9E441 F448 N470 D497 N498E441-H446 PolarHBondContact O-CE1 3.11Å; E441-H446 PolarHBondContact O-NE2 3.39Å; H446-F448 HydrophobicContact CB-CD1 4.45Å; H446-F448 HydrophobicContact CB-CE1 3.86Å; H446-F448 HydrophobicContact CB-CZ 4.5Å; H446-F448 WeakPolarHBondContact O-CZ 3.25Å; H446-F448 PolarHBondContact O-N 3.06Å; H446-N470 PolarHBondContact O-ND2 2.88Å; H446-N470 PolarHBondContact O-OD1 2.86Å; H446-D497 HydrophobicContact CB-CB 4.3Å; H446-N498 VanDerWaalsContact CB-OD1 3.26Å; H446-N498 WeakPolarHBondContact CB-OD1 3.25Å; H446-N498 PolarHBondContact ND1-OD1 3.36Å
447R83.7Confident79.4Confident107 Ų10766.2 Ų66.240%0.40438%0.377SS..  trans-77.1112.1173.7-171.6-177.2-168.6-73.6-9.1108.7D466 N470 N498R447-D466 IonicContact CZ-OD2 2.77Å; R447-D466 IonicContact NH1-OD2 3.23Å; R447-D466 PolarHBondContact NH1-OD2 3.02Å; R447-D466 IonicContact NH2-OD2 2.94Å; R447-D466 PolarHBondContact NH2-OD2 2.82Å; R447-N470 WeakPolarHBondContact CA-OD1 3.21Å; R447-N498 HydrophobicContact CB-CB 4.5Å; R447-N498 PolarHBondContact N-OD1 3.1Å
448F88Confident78.2Confident2 Ų265.8 Ų65.81%0.00939%0.388CS..  trans-84.1141.8179.6-50.6-51.7000112P411 A436 D438 H446 F450 N470 I495 T496 D497P411-F448 HydrophobicContact CB-CD1 3.51Å; P411-F448 HydrophobicContact CB-CE1 3.43Å; P411-F448 VanDerWaalsContact CB-CE1 3.43Å; P411-F448 HydrophobicContact CB-CG 4.35Å; P411-F448 HydrophobicContact CB-CZ 4.19Å; P411-F448 HydrophobicContact CG-CD1 3.94Å; P411-F448 HydrophobicContact CG-CE1 4.21Å; A436-F448 HydrophobicContact CB-CD2 3.66Å; A436-F448 HydrophobicContact CB-CE2 3.95Å; A436-F448 HydrophobicContact CB-CG 4.1Å; A436-F448 VanDerWaalsContact O-CE2 3.31Å; A436-F448 WeakPolarHBondContact O-CE2 3.47Å; D438-F448 HydrophobicContact CB-CE1 3.77Å; D438-F448 HydrophobicContact CB-CZ 3.74Å; H446-F448 HydrophobicContact CB-CD1 4.45Å; H446-F448 HydrophobicContact CB-CE1 3.86Å; H446-F448 HydrophobicContact CB-CZ 4.5Å; H446-F448 WeakPolarHBondContact O-CZ 3.25Å; H446-F448 PolarHBondContact O-N 3.06Å; F448-F450 HydrophobicContact CB-CD2 4.39Å; F448-F450 HydrophobicContact CB-CE2 3.76Å; F448-F450 HydrophobicContact CB-CZ 4.02Å; F448-N470 HydrophobicContact CD2-CB 3.9Å; F448-N470 HydrophobicContact CE2-CB 4.34Å; F448-N470 PolarHBondContact N-OD1 3.36Å; F448-N470 VanDerWaalsContact N-OD1 3.08Å; F448-I495 HydrophobicContact CB-CG2 4Å; F448-I495 HydrophobicContact CG-CG2 4.34Å; F448-T496 CarbonylContact C-O 3.59Å; F448-T496 WeakPolarHBondContact CA-O 3.27Å; F448-D497 HydrophobicContact CD1-CB 4.49Å
449N88.9Confident77.5Confident85 Ų8565.8 Ų65.846%0.45539%0.388SS..EExtended strand (participates in β ladder)trans-108119.8168.3-174.223.7000109.1I495 T496N449-I495 WeakPolarHBondContact O-CA 3.41Å; N449-T496 PolarHBondContact N-O 3.28Å; N449-T496 PolarHBondContact O-N 3.43Å
450F89.7Confident76.9Confident8 Ų865 Ų654%0.03539%0.39CS..EExtended strand (participates in β ladder)trans-100.5128.7179.3-63.4-91.1000109.9I434 A436 F448 L464 A472 V493 I495I434-F450 HydrophobicContact CD1-CD1 4.05Å; I434-F450 HydrophobicContact CD1-CE1 4.34Å; A436-F450 HydrophobicContact CB-CE1 3.93Å; A436-F450 HydrophobicContact CB-CZ 3.76Å; F448-F450 HydrophobicContact CB-CD2 4.39Å; F448-F450 HydrophobicContact CB-CE2 3.76Å; F448-F450 HydrophobicContact CB-CZ 4.02Å; F450-L464 HydrophobicContact CB-CD1 3.89Å; F450-L464 HydrophobicContact CB-CD2 3.68Å; F450-L464 HydrophobicContact CB-CG 4.42Å; F450-L464 WeakPolarHBondContact O-CD2 3.28Å; F450-A472 HydrophobicContact CB-CB 3.71Å; F450-A472 HydrophobicContact CD1-CB 4.05Å; F450-A472 HydrophobicContact CD2-CB 3.71Å; F450-A472 HydrophobicContact CE2-CB 4.32Å; F450-A472 HydrophobicContact CG-CB 3.56Å; F450-V493 HydrophobicContact CD1-CG1 4.19Å; F450-I495 HydrophobicContact CD1-CG1 3.96Å; F450-I495 HydrophobicContact CD1-CG2 4.15Å; F450-I495 HydrophobicContact CE1-CD1 4.14Å; F450-I495 HydrophobicContact CE1-CG1 4.01Å; F450-I495 HydrophobicContact CE1-CG2 3.88Å; F450-I495 HydrophobicContact CZ-CG2 4.34Å
451A88.8Confident76.7Confident37 Ų3765.8 Ų65.831%0.30639%0.394SS..EExtended strand (participates in β ladder)trans-134.8153.9173.900000110.2V493 L494A451-V493 CarbonylContact O-C 3.5Å; A451-V493 WeakPolarHBondContact O-CA 3.49Å; A451-L494 PolarHBondContact N-O 3.07Å; A451-L494 PolarHBondContact O-N 3.08Å
452L86.9Confident76.9Confident29 Ų2961 Ų6115%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-73.9135.6163.8-67.2175.1000108N459 L464 V493L452-N459 HydrophobicContact CD1-CB 4.5Å; L452-L464 HydrophobicContact CG-CB 4.26Å; L452-V493 HydrophobicContact CD2-CG2 4.4Å
453D84.3Confident77.7Confident32 Ų3260 Ų6017%0.17136%0.364CS..  trans-54.5150.9179.1-178.3-94.9000111.4T455 V456 A457 P492 T506D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact OD1-CB 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.36Å; D453-T455 VanDerWaalsContact OD1-CG2 3.27Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.43Å; D453-T455 PolarHBondContact OD1-OG1 2.84Å; D453-V456 CarbonylContact O-C 3.54Å; D453-V456 WeakPolarHBondContact O-CA 3.42Å; D453-V456 PolarHBondContact O-N 3.31Å; D453-A457 PolarHBondContact O-N 2.73Å; D453-P492 HydrophobicContact CB-CB 3.73Å; D453-P492 HydrophobicContact CB-CG 3.83Å; D453-P492 WeakPolarHBondContact CB-O 3.45Å; D453-P492 PolarHBondContact N-O 3.43Å; D453-T506 HydrophobicContact CB-CG2 4.22Å
454A75.2Confident78.9Confident90 Ų9053.6 Ų53.674%0.74433%0.331SS*.G310 helixtrans-55.3-30.6-177.100000113.1V456 A457A454-V456 PolarHBondContact O-N 3.04Å; A454-A457 PolarHBondContact O-N 3.36Å
455T73.6Confident80.4Confident116 Ų11652 Ų5271%0.71231%0.313SS*.G310 helixtrans-62.7-22.4174.858.50000113.3D453D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact OD1-CB 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.36Å; D453-T455 VanDerWaalsContact OD1-CG2 3.27Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.43Å; D453-T455 PolarHBondContact OD1-OG1 2.84Å
456V75.6Confident81.6Confident27 Ų2753 Ų5316%0.16431%0.313CS..G310 helixtrans-126.19.3-174.6-172.40000111.3D453 A454 G458 N459 L491 P492D453-V456 CarbonylContact O-C 3.54Å; D453-V456 WeakPolarHBondContact O-CA 3.42Å; D453-V456 PolarHBondContact O-N 3.31Å; A454-V456 PolarHBondContact O-N 3.04Å; V456-G458 PolarHBondContact O-N 3.47Å; V456-N459 HydrophobicContact CG1-CB 3.58Å; V456-N459 WeakPolarHBondContact CG1-ND2 3.28Å; V456-N459 WeakPolarHBondContact O-CB 3.38Å; V456-N459 PolarHBondContact O-N 3.08Å; V456-L491 HydrophobicContact CG1-CD2 4.21Å; V456-P492 HydrophobicContact CB-CG 4.26Å; V456-P492 HydrophobicContact CG2-CG 3.58Å
457A61.9Low82.4Confident67 Ų6754 Ų5455%0.55432%0.319SS*.THydrogen-bonded Turntrans-60.1-23.2-179.900000113.8D453 A454D453-A457 PolarHBondContact O-N 2.73Å; A454-A457 PolarHBondContact O-N 3.36Å
458G65.4Low82.3Confident65 Ų6557 Ų5767%0.6734%0.335SS*.THydrogen-bonded Turntrans-94.314.1173.500000115.2V456 L460V456-G458 PolarHBondContact O-N 3.47Å; G458-L460 PolarHBondContact O-N 2.89Å
459N74.4Confident82.1Confident25 Ų2561.7 Ų61.713%0.13436%0.36CS..  trans-56123.4-175.3-163.2-37000111.3L452 V456 N461 F462 K477 L491L452-N459 HydrophobicContact CD1-CB 4.5Å; V456-N459 HydrophobicContact CG1-CB 3.58Å; V456-N459 WeakPolarHBondContact CG1-ND2 3.28Å; V456-N459 WeakPolarHBondContact O-CB 3.38Å; V456-N459 PolarHBondContact O-N 3.08Å; N459-N461 VanDerWaalsContact OD1-CA 3.32Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 WeakPolarHBondContact OD1-CB 3.29Å; N459-N461 PolarHBondContact OD1-N 2.69Å; N459-F462 PolarHBondContact OD1-N 3.17Å; N459-F462 VanDerWaalsContact OD1-N 3.1Å; N459-K477 WeakPolarHBondContact O-CD 3.34Å; N459-K477 WeakPolarHBondContact O-CE 3.28Å; N459-K477 PolarHBondContact O-NZ 3Å; N459-L491 WeakPolarHBondContact ND2-CD2 3.41Å
460L76.3Confident82Confident131 Ų13159.4 Ų59.469%0.68635%0.348SS*.SBendtrans-87.4-10.6178-64.5173.1000112.6G458 K477G458-L460 PolarHBondContact O-N 2.89Å; L460-K477 WeakPolarHBondContact O-CB 3.41Å
461N84.9Confident81.9Confident21 Ų2160.4 Ų60.411%0.11236%0.355CS..SBendtrans-98.6-39.6-173.7-62-8.4000111.9N459 T476 K477 R478 F481 Y489N459-N461 VanDerWaalsContact OD1-CA 3.32Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 WeakPolarHBondContact OD1-CB 3.29Å; N459-N461 PolarHBondContact OD1-N 2.69Å; N461-T476 CarbonylContact O-C 3.46Å; N461-T476 WeakPolarHBondContact O-CA 3.26Å; N461-K477 PolarHBondContact O-N 3.45Å; N461-R478 VanDerWaalsContact OD1-CD 3.27Å; N461-R478 WeakPolarHBondContact OD1-CD 3.45Å; N461-R478 PolarHBondContact OD1-NE 3.32Å; N461-R478 PolarHBondContact OD1-NH1 3.3Å; N461-F481 HydrophobicContact CB-CE1 3.9Å; N461-F481 HydrophobicContact CB-CZ 4.3Å; N461-Y489 WeakPolarHBondContact ND2-CE1 3.45Å
462F88.8Confident82.1Confident0 Ų058.6 Ų58.60%034%0.34CS..EExtended strand (participates in β ladder)trans-132.7155.3-175.4-52.5-81.7000112.6L421 I431 N459 I474 L475 T476 K477 F481 Y489 L491 V511L421-F462 HydrophobicContact CD2-CE1 3.74Å; L421-F462 HydrophobicContact CD2-CZ 3.68Å; I431-F462 HydrophobicContact CD1-CD1 3.72Å; I431-F462 HydrophobicContact CD1-CE1 3.58Å; N459-F462 PolarHBondContact OD1-N 3.17Å; N459-F462 VanDerWaalsContact OD1-N 3.1Å; F462-I474 HydrophobicContact CB-CG2 4.35Å; F462-I474 HydrophobicContact CD1-CG2 4.4Å; F462-L475 CarbonylContact C-O 3.54Å; F462-L475 VanDerWaalsContact CA-O 3.26Å; F462-L475 WeakPolarHBondContact CA-O 3.33Å; F462-T476 HydrophobicContact CD1-CG2 4.45Å; F462-T476 HydrophobicContact CE1-CG2 4.33Å; F462-K477 WeakPolarHBondContact O-CE 3.42Å; F462-F481 HydrophobicContact CE1-CE1 4.3Å; F462-F481 HydrophobicContact CE1-CZ 4.14Å; F462-F481 HydrophobicContact CE2-CE1 4.39Å; F462-F481 AromaticContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CZ 4.22Å; F462-Y489 AromaticContact CE2-CD1 3.97Å; F462-Y489 HydrophobicContact CE2-CD1 3.97Å; F462-Y489 AromaticContact CE2-CD2 4Å; F462-Y489 HydrophobicContact CE2-CD2 4Å; F462-Y489 AromaticContact CE2-CG 3.65Å; F462-Y489 HydrophobicContact CE2-CG 3.65Å; F462-Y489 AromaticContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CG 4.09Å; F462-L491 HydrophobicContact CB-CD1 4Å; F462-L491 HydrophobicContact CB-CD2 4.3Å; F462-L491 HydrophobicContact CD1-CD1 4.26Å; F462-L491 HydrophobicContact CD2-CD1 3.76Å; F462-L491 HydrophobicContact CD2-CD2 3.66Å; F462-L491 HydrophobicContact CD2-CG 4.21Å; F462-L491 HydrophobicContact CE2-CD1 4.26Å; F462-L491 HydrophobicContact CE2-CD2 4.34Å; F462-L491 HydrophobicContact CG-CD1 3.72Å; F462-L491 HydrophobicContact CG-CD2 4.25Å; F462-V511 HydrophobicContact CE1-CG1 4.18Å; F462-V511 HydrophobicContact CZ-CB 4.44Å; F462-V511 HydrophobicContact CZ-CG1 3.99Å
463T88.6Confident82.3Confident48 Ų4857.4 Ų57.429%0.29433%0.334SS..EExtended strand (participates in β ladder)trans-137.3154.8174.5176.40000108.8L475 K477T463-L475 HydrophobicContact CG2-CB 3.85Å; T463-L475 HydrophobicContact CG2-CD1 4.43Å; T463-L475 PolarHBondContact N-O 3.42Å; T463-L475 PolarHBondContact O-N 3.06Å; T463-K477 VanDerWaalsContact CB-CE 3.49Å; T463-K477 HydrophobicContact CG2-CG 3.65Å
464L89.8Confident82.7Confident31 Ų3155.9 Ų55.916%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-111.8140.7177.4-172.4150.6000109.3I434 F450 L452 A472 I474 V493I434-L464 HydrophobicContact CD1-CD1 4.46Å; F450-L464 HydrophobicContact CB-CD1 3.89Å; F450-L464 HydrophobicContact CB-CD2 3.68Å; F450-L464 HydrophobicContact CB-CG 4.42Å; F450-L464 WeakPolarHBondContact O-CD2 3.28Å; L452-L464 HydrophobicContact CG-CB 4.26Å; L464-A472 HydrophobicContact CD1-CB 4.17Å; L464-A472 HydrophobicContact CD2-CB 3.81Å; L464-A472 HydrophobicContact CG-CB 4.01Å; L464-I474 HydrophobicContact CB-CD1 4.15Å; L464-I474 HydrophobicContact CD1-CD1 3.62Å; L464-I474 HydrophobicContact CG-CD1 3.86Å; L464-V493 HydrophobicContact CD1-CG1 3.83Å
465R89.7Confident83.4Confident126 Ų12652.5 Ų52.548%0.47530%0.295SS..EExtended strand (participates in β ladder)trans-123.4117.5171.6-177.2-17772.5-168.4-0.1109.3N467 A472 S473 L475R465-N467 PolarHBondContact NE-OD1 3.3Å; R465-N467 PolarHBondContact O-N 3.17Å; R465-A472 CarbonylContact O-C 3.5Å; R465-A472 WeakPolarHBondContact O-CA 3.48Å; R465-S473 PolarHBondContact N-O 2.85Å; R465-S473 PolarHBondContact NH2-OG 2.85Å; R465-S473 PolarHBondContact O-N 2.67Å; R465-L475 HydrophobicContact CB-CD1 3.51Å
466D87Confident84.1Confident44 Ų4447 Ų4724%0.23526%0.262CS..EExtended strand (participates in β ladder)trans-65.5121.9168.1178.710.2000108.9R447 K468R447-D466 IonicContact CZ-OD2 2.77Å; R447-D466 IonicContact NH1-OD2 3.23Å; R447-D466 PolarHBondContact NH1-OD2 3.02Å; R447-D466 IonicContact NH2-OD2 2.94Å; R447-D466 PolarHBondContact NH2-OD2 2.82Å; D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.47Å; D466-K468 PolarHBondContact OD1-N 3.26Å
467N88.8Confident84.6Confident44 Ų4450.5 Ų50.524%0.23528%0.275CS..  trans-83.4-4.5178.7-65.1-28.3000112.2R465 D469 T471 S473R465-N467 PolarHBondContact NE-OD1 3.3Å; R465-N467 PolarHBondContact O-N 3.17Å; N467-D469 VanDerWaalsContact C-N 3.25Å; N467-D469 WeakPolarHBondContact CB-OD1 3.21Å; N467-D469 PolarHBondContact O-N 3.04Å; N467-T471 WeakPolarHBondContact CB-O 3.02Å; N467-T471 WeakPolarHBondContact CB-OG1 3.42Å; N467-T471 PolarHBondContact N-O 3.25Å; N467-T471 PolarHBondContact ND2-OG1 3.02Å; N467-S473 VanDerWaalsContact CG-OG 3.25Å; N467-S473 PolarHBondContact ND2-OG 3.5Å; N467-S473 PolarHBondContact OD1-OG 3.17Å
468K82.4Confident85.7Confident169 Ų16952 Ų5274%0.73527%0.266SS*.SBendtrans66.218.4179.8-51.9-178.2177.2-178.80115.3D466D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.47Å; D466-K468 PolarHBondContact OD1-N 3.26Å
469D84.3Confident86.4Confident100 Ų10050.3 Ų50.354%0.53525%0.249SC..SBendtrans-128.933.2-179.261.7-3.5000111.3N467 T471N467-D469 VanDerWaalsContact C-N 3.25Å; N467-D469 WeakPolarHBondContact CB-OD1 3.21Å; N467-D469 PolarHBondContact O-N 3.04Å; D469-T471 PolarHBondContact O-N 3.5Å; D469-T471 VanDerWaalsContact O-N 3.13Å; D469-T471 WeakPolarHBondContact OD1-CB 3.32Å; D469-T471 PolarHBondContact OD1-N 3.4Å; D469-T471 VanDerWaalsContact OD1-N 3.14Å; D469-T471 PolarHBondContact OD1-OG1 3.37Å
470N85.1Confident86.7Confident38 Ų3851.4 Ų51.420%0.20327%0.266CS..SBendtrans59.117.2-172.1-73.4-12000114.5H446 R447 F448H446-N470 PolarHBondContact O-ND2 2.88Å; H446-N470 PolarHBondContact O-OD1 2.86Å; R447-N470 WeakPolarHBondContact CA-OD1 3.21Å; F448-N470 HydrophobicContact CD2-CB 3.9Å; F448-N470 HydrophobicContact CE2-CB 4.34Å; F448-N470 PolarHBondContact N-OD1 3.36Å; F448-N470 VanDerWaalsContact N-OD1 3.08Å
471T89.3Confident87.1Confident28 Ų2845.2 Ų45.217%0.17223%0.233CC..EExtended strand (participates in β ladder)trans-118.9155168.179.30000111.6T433 I434 N467 D469T433-T471 HydrophobicContact CG2-CG2 4.48Å; I434-T471 CarbonylContact O-C 3.56Å; I434-T471 VanDerWaalsContact O-CA 3.22Å; I434-T471 WeakPolarHBondContact O-CA 3.16Å; I434-T471 WeakPolarHBondContact O-CB 3.19Å; N467-T471 WeakPolarHBondContact CB-O 3.02Å; N467-T471 WeakPolarHBondContact CB-OG1 3.42Å; N467-T471 PolarHBondContact N-O 3.25Å; N467-T471 PolarHBondContact ND2-OG1 3.02Å; D469-T471 PolarHBondContact O-N 3.5Å; D469-T471 VanDerWaalsContact O-N 3.13Å; D469-T471 WeakPolarHBondContact OD1-CB 3.32Å; D469-T471 PolarHBondContact OD1-N 3.4Å; D469-T471 VanDerWaalsContact OD1-N 3.14Å; D469-T471 PolarHBondContact OD1-OG1 3.37Å
472A91.6Very high86.9Confident0 Ų051.4 Ų51.40%026%0.255CS..EExtended strand (participates in β ladder)trans-127136.9172.100000110.9T433 I434 F450 L464 R465T433-A472 CarbonylContact C-O 3.53Å; T433-A472 WeakPolarHBondContact CA-O 3.32Å; I434-A472 HydrophobicContact CD1-CB 4.21Å; I434-A472 HydrophobicContact CG1-CB 3.89Å; I434-A472 VanDerWaalsContact CG1-O 3.3Å; I434-A472 WeakPolarHBondContact CG1-O 3.49Å; I434-A472 PolarHBondContact N-O 3.49Å; I434-A472 PolarHBondContact O-N 2.84Å; F450-A472 HydrophobicContact CB-CB 3.71Å; F450-A472 HydrophobicContact CD1-CB 4.05Å; F450-A472 HydrophobicContact CD2-CB 3.71Å; F450-A472 HydrophobicContact CE2-CB 4.32Å; F450-A472 HydrophobicContact CG-CB 3.56Å; L464-A472 HydrophobicContact CD1-CB 4.17Å; L464-A472 HydrophobicContact CD2-CB 3.81Å; L464-A472 HydrophobicContact CG-CB 4.01Å; R465-A472 CarbonylContact O-C 3.5Å; R465-A472 WeakPolarHBondContact O-CA 3.48Å
473S92.2Very high86.4Confident4 Ų454.7 Ų54.73%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-93.3130.2172.5-56.80000109.9R465 N467 L475R465-S473 PolarHBondContact N-O 2.85Å; R465-S473 PolarHBondContact NH2-OG 2.85Å; R465-S473 PolarHBondContact O-N 2.67Å; N467-S473 VanDerWaalsContact CG-OG 3.25Å; N467-S473 PolarHBondContact ND2-OG 3.5Å; N467-S473 PolarHBondContact OD1-OG 3.17Å; S473-L475 WeakPolarHBondContact O-CD1 3.4Å
474I91.1Very high85.7Confident0 Ų064.3 Ų64.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91128.1169.4-53.2-59.5000108.5V430 I431 Q432 I434 F462 L464 L491 L509V430-I474 WeakPolarHBondContact CA-O 3.47Å; I431-I474 HydrophobicContact CD1-CB 4.5Å; I431-I474 HydrophobicContact CD1-CG2 3.87Å; I431-I474 HydrophobicContact CG1-CB 4.04Å; I431-I474 HydrophobicContact CG1-CG2 3.91Å; I431-I474 WeakPolarHBondContact CG1-O 3.36Å; I431-I474 PolarHBondContact N-O 3.36Å; Q432-I474 PolarHBondContact O-N 3.28Å; I434-I474 HydrophobicContact CD1-CD1 4.24Å; F462-I474 HydrophobicContact CB-CG2 4.35Å; F462-I474 HydrophobicContact CD1-CG2 4.4Å; L464-I474 HydrophobicContact CB-CD1 4.15Å; L464-I474 HydrophobicContact CD1-CD1 3.62Å; L464-I474 HydrophobicContact CG-CD1 3.86Å; I474-L491 HydrophobicContact CG2-CD1 4.14Å; I474-L509 HydrophobicContact CB-CD2 4.42Å; I474-L509 HydrophobicContact CG1-CD2 3.7Å; I474-L509 HydrophobicContact CG2-CD2 4.47Å
475L90.3Very high85.3Confident18 Ų1868.1 Ų68.19%0.09432%0.316CS..EExtended strand (participates in β ladder)trans-122.2152.2179.4-45.389.3000111.9G428 Q429 V430 F462 T463 R465 S473G428-L475 WeakPolarHBondContact O-CD2 3.38Å; Q429-L475 WeakPolarHBondContact O-CA 3.47Å; V430-L475 HydrophobicContact CG2-CD2 3.75Å; V430-L475 HydrophobicContact CG2-CG 3.94Å; F462-L475 CarbonylContact C-O 3.54Å; F462-L475 VanDerWaalsContact CA-O 3.26Å; F462-L475 WeakPolarHBondContact CA-O 3.33Å; T463-L475 HydrophobicContact CG2-CB 3.85Å; T463-L475 HydrophobicContact CG2-CD1 4.43Å; T463-L475 PolarHBondContact N-O 3.42Å; T463-L475 PolarHBondContact O-N 3.06Å; R465-L475 HydrophobicContact CB-CD1 3.51Å; S473-L475 WeakPolarHBondContact O-CD1 3.4Å
476T89.4Confident85Confident1 Ų166.7 Ų66.71%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-75.4133.6172.151.30000110.7L421 M426 G428 Q429 I431 N461 F462 F481L421-T476 HydrophobicContact CD1-CG2 3.74Å; M426-T476 PolarHBondContact O-OG1 3.5Å; G428-T476 WeakPolarHBondContact CA-O 3.42Å; G428-T476 PolarHBondContact N-O 2.92Å; G428-T476 PolarHBondContact N-OG1 3.18Å; Q429-T476 PolarHBondContact N-OG1 2.8Å; Q429-T476 PolarHBondContact O-N 3.44Å; Q429-T476 VanDerWaalsContact O-N 3.09Å; Q429-T476 PolarHBondContact O-OG1 3.5Å; I431-T476 HydrophobicContact CG2-CG2 3.86Å; N461-T476 CarbonylContact O-C 3.46Å; N461-T476 WeakPolarHBondContact O-CA 3.26Å; F462-T476 HydrophobicContact CD1-CG2 4.45Å; F462-T476 HydrophobicContact CE1-CG2 4.33Å; T476-F481 HydrophobicContact CG2-CE2 3.69Å; T476-F481 HydrophobicContact CG2-CZ 4.08Å
477K86.2Confident84.7Confident100 Ų10066.8 Ų66.844%0.43532%0.321SS..SBendtrans-89.7-26171.6-81.1-169.2-173.1172.40113.1N459 L460 N461 F462 T463N459-K477 WeakPolarHBondContact O-CD 3.34Å; N459-K477 WeakPolarHBondContact O-CE 3.28Å; N459-K477 PolarHBondContact O-NZ 3Å; L460-K477 WeakPolarHBondContact O-CB 3.41Å; N461-K477 PolarHBondContact O-N 3.45Å; F462-K477 WeakPolarHBondContact O-CE 3.42Å; T463-K477 VanDerWaalsContact CB-CE 3.49Å; T463-K477 HydrophobicContact CG2-CG 3.65Å
478R84.1Confident84.7Confident98 Ų9867 Ų6737%0.3732%0.324SS..SBendtrans-132.4164.5179.477.3-178.7-161174.3-0.4110N461 F481N461-R478 VanDerWaalsContact OD1-CD 3.27Å; N461-R478 WeakPolarHBondContact OD1-CD 3.45Å; N461-R478 PolarHBondContact OD1-NE 3.32Å; N461-R478 PolarHBondContact OD1-NH1 3.3Å; R478-F481 HydrophobicContact CG-CE1 4.49Å; R478-F481 HydrophobicContact CG-CZ 4.1Å; R478-F481 WeakPolarHBondContact O-CE2 3.28Å; R478-F481 WeakPolarHBondContact O-CZ 3.47Å
479G80.2Confident84.9Confident30 Ų3060.3 Ų60.331%0.30929%0.294SS..  trans-105.4-172.6168.100000112S425S425-G479 VanDerWaalsContact O-CA 3.26Å; S425-G479 WeakPolarHBondContact O-CA 3.39Å
480G80.3Confident85.1Confident48 Ų4864.1 Ų64.150%0.49530%0.301SS..  trans74.438.1175.500000113.4R482G480-R482 PolarHBondContact O-N 2.97Å
481F84.8Confident85.3Confident1 Ų162.4 Ų62.40%0.00429%0.292CS..  trans-68.1124.1173.6-66.2-82.4000109.2L421 E423 N461 F462 T476 R478 Y489 V513L421-F481 HydrophobicContact CD1-CD2 4.35Å; L421-F481 HydrophobicContact CD1-CE2 4.39Å; L421-F481 HydrophobicContact CD2-CB 4.08Å; L421-F481 HydrophobicContact CD2-CD1 3.54Å; L421-F481 HydrophobicContact CD2-CD2 3.67Å; L421-F481 HydrophobicContact CD2-CE1 3.78Å; L421-F481 HydrophobicContact CD2-CE2 3.9Å; L421-F481 HydrophobicContact CD2-CG 3.48Å; L421-F481 VanDerWaalsContact CD2-CG 3.48Å; L421-F481 HydrophobicContact CD2-CZ 3.96Å; L421-F481 HydrophobicContact CG-CD2 4.22Å; L421-F481 HydrophobicContact CG-CG 4.29Å; E423-F481 CarbonylContact C-O 3.59Å; E423-F481 WeakPolarHBondContact CA-O 3.45Å; E423-F481 WeakPolarHBondContact CB-O 3.25Å; E423-F481 VanDerWaalsContact CG-O 3.29Å; E423-F481 WeakPolarHBondContact CG-O 3.05Å; E423-F481 PolarHBondContact O-N 3.04Å; N461-F481 HydrophobicContact CB-CE1 3.9Å; N461-F481 HydrophobicContact CB-CZ 4.3Å; F462-F481 HydrophobicContact CE1-CE1 4.3Å; F462-F481 HydrophobicContact CE1-CZ 4.14Å; F462-F481 HydrophobicContact CE2-CE1 4.39Å; F462-F481 AromaticContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CZ 4.22Å; T476-F481 HydrophobicContact CG2-CE2 3.69Å; T476-F481 HydrophobicContact CG2-CZ 4.08Å; R478-F481 HydrophobicContact CG-CE1 4.49Å; R478-F481 HydrophobicContact CG-CZ 4.1Å; R478-F481 WeakPolarHBondContact O-CE2 3.28Å; R478-F481 WeakPolarHBondContact O-CZ 3.47Å; F481-Y489 HydrophobicContact CD1-CE2 4.01Å; F481-Y489 HydrophobicContact CE1-CE2 4.42Å; F481-V513 HydrophobicContact CB-CG1 4.11Å
482R80.7Confident85.3Confident151 Ų15161.9 Ų61.957%0.5729%0.289SS*.  trans-115.9122.7176.4-69.7174.7179.1168.9-1.1110.2G480 R484 E485 Q486G480-R482 PolarHBondContact O-N 2.97Å; R482-R484 PolarHBondContact O-N 3.1Å; R482-E485 HydrophobicContact CB-CB 4.29Å; R482-E485 HydrophobicContact CB-CG 4Å; R482-E485 VanDerWaalsContact CD-OE1 3.24Å; R482-E485 WeakPolarHBondContact CD-OE1 3.5Å; R482-E485 IonicContact CZ-OE1 3.56Å; R482-E485 IonicContact NH1-OE1 3.89Å; R482-E485 PolarHBondContact NH1-OE1 3.47Å; R482-E485 PolarHBondContact O-N 2.74Å; R482-Q486 PolarHBondContact O-N 3.43Å; R482-Q486 VanDerWaalsContact O-N 3.13Å
483R78.1Confident85.3Confident70 Ų7061.9 Ų61.926%0.26429%0.289SS..THydrogen-bonded Turntrans-57.3-34.2176.8-175.8178.9178.6-165.7-0.3112.2E423 E485 A487 V513 D515 G526E423-R483 WeakPolarHBondContact OE1-CB 3.4Å; E423-R483 PolarHBondContact OE1-N 3.5Å; R483-E485 VanDerWaalsContact C-N 3.29Å; R483-E485 PolarHBondContact O-N 2.83Å; R483-A487 HydrophobicContact CG-CB 4.36Å; R483-A487 PolarHBondContact O-N 3.47Å; R483-V513 HydrophobicContact CB-CB 4.38Å; R483-V513 HydrophobicContact CB-CG1 4.17Å; R483-V513 WeakPolarHBondContact CD-O 3.47Å; R483-V513 WeakPolarHBondContact CG-O 3.27Å; R483-D515 IonicContact NH1-OD2 3.89Å; R483-D515 PolarHBondContact NH1-OD2 3.5Å; R483-G526 PolarHBondContact NH2-O 3.14Å
484R75.2Confident85.2Confident250 Ų25063.8 Ų63.894%0.94330%0.299SS*.THydrogen-bonded Turntrans-66.5-27.2175.9-65.4-175-175.6-174.71.6113.7R482R482-R484 PolarHBondContact O-N 3.1Å
485E81.9Confident85.2Confident111 Ų11163.8 Ų63.852%0.51930%0.299SS..THydrogen-bonded Turntrans-87.1-48.1-179.8-67.1176.7-172.700110.7R482 R483R482-E485 HydrophobicContact CB-CB 4.29Å; R482-E485 HydrophobicContact CB-CG 4Å; R482-E485 VanDerWaalsContact CD-OE1 3.24Å; R482-E485 WeakPolarHBondContact CD-OE1 3.5Å; R482-E485 IonicContact CZ-OE1 3.56Å; R482-E485 IonicContact NH1-OE1 3.89Å; R482-E485 PolarHBondContact NH1-OE1 3.47Å; R482-E485 PolarHBondContact O-N 2.74Å; R483-E485 VanDerWaalsContact C-N 3.29Å; R483-E485 PolarHBondContact O-N 2.83Å
486Q81.9Confident85.2Confident96 Ų9664.6 Ų64.645%0.44931%0.305SS..  trans-150.2111.2176.4-173.672.633.200109.4R482 V488 Y489 V513R482-Q486 PolarHBondContact O-N 3.43Å; R482-Q486 VanDerWaalsContact O-N 3.13Å; Q486-V488 PolarHBondContact NE2-O 3.11Å; Q486-Y489 HydrophobicContact CB-CE1 4.07Å; Q486-Y489 HydrophobicContact CB-CE2 4.14Å; Q486-Y489 HydrophobicContact CG-CD1 3.98Å; Q486-Y489 HydrophobicContact CG-CD2 4.33Å; Q486-Y489 HydrophobicContact CG-CE1 3.6Å; Q486-Y489 HydrophobicContact CG-CE2 3.98Å; Q486-Y489 HydrophobicContact CG-CG 4.33Å; Q486-V513 WeakPolarHBondContact O-CG2 3.37Å
487A82.2Confident85.2Confident46 Ų4665 Ų6538%0.3831%0.306SS..SBendtrans-80.4-28.5-176.600000113.7R483 R512 V513R483-A487 HydrophobicContact CG-CB 4.36Å; R483-A487 PolarHBondContact O-N 3.47Å; A487-R512 WeakPolarHBondContact O-CA 3.31Å; A487-V513 PolarHBondContact O-N 3.48Å
488V87.1Confident85.3Confident49 Ų4964.6 Ų64.630%0.29731%0.309SS..EExtended strand (participates in β ladder)trans-138129-178.5-174.30000110Q486 V511 R512Q486-V488 PolarHBondContact NE2-O 3.11Å; V488-V511 CarbonylContact C-O 3.33Å; V488-V511 WeakPolarHBondContact CA-O 3.42Å; V488-R512 HydrophobicContact CG1-CG 4.43Å; V488-R512 HydrophobicContact CG2-CG 4.13Å
489Y87Confident85.2Confident28 Ų2860.5 Ų60.511%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-105133.9168.4-62.9-89000109.3N461 F462 F481 Q486 V511 V513N461-Y489 WeakPolarHBondContact ND2-CE1 3.45Å; F462-Y489 AromaticContact CE2-CD1 3.97Å; F462-Y489 HydrophobicContact CE2-CD1 3.97Å; F462-Y489 AromaticContact CE2-CD2 4Å; F462-Y489 HydrophobicContact CE2-CD2 4Å; F462-Y489 AromaticContact CE2-CG 3.65Å; F462-Y489 HydrophobicContact CE2-CG 3.65Å; F462-Y489 AromaticContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CG 4.09Å; F481-Y489 HydrophobicContact CD1-CE2 4.01Å; F481-Y489 HydrophobicContact CE1-CE2 4.42Å; Q486-Y489 HydrophobicContact CB-CE1 4.07Å; Q486-Y489 HydrophobicContact CB-CE2 4.14Å; Q486-Y489 HydrophobicContact CG-CD1 3.98Å; Q486-Y489 HydrophobicContact CG-CD2 4.33Å; Q486-Y489 HydrophobicContact CG-CE1 3.6Å; Q486-Y489 HydrophobicContact CG-CE2 3.98Å; Q486-Y489 HydrophobicContact CG-CG 4.33Å; Y489-V511 PolarHBondContact N-O 3.28Å; Y489-V511 PolarHBondContact O-N 2.86Å; Y489-V513 HydrophobicContact CD2-CG2 3.94Å; Y489-V513 HydrophobicContact CE2-CG2 3.6Å
490R88.3Confident85.2Confident180 Ų18068.3 Ų68.368%0.67932%0.323SS*.EExtended strand (participates in β ladder)trans-106.3118.9173.1-66.8177.5179.7-107.10.7107.9P492R490-P492 WeakPolarHBondContact O-CD 3.28Å
491L89.1Confident85.6Confident1 Ų170.4 Ų70.41%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-110.995.8-177.4-64.7175.5000108.9V456 N459 F462 I474 V493 T508 L509 V511V456-L491 HydrophobicContact CG1-CD2 4.21Å; N459-L491 WeakPolarHBondContact ND2-CD2 3.41Å; F462-L491 HydrophobicContact CB-CD1 4Å; F462-L491 HydrophobicContact CB-CD2 4.3Å; F462-L491 HydrophobicContact CD1-CD1 4.26Å; F462-L491 HydrophobicContact CD2-CD1 3.76Å; F462-L491 HydrophobicContact CD2-CD2 3.66Å; F462-L491 HydrophobicContact CD2-CG 4.21Å; F462-L491 HydrophobicContact CE2-CD1 4.26Å; F462-L491 HydrophobicContact CE2-CD2 4.34Å; F462-L491 HydrophobicContact CG-CD1 3.72Å; F462-L491 HydrophobicContact CG-CD2 4.25Å; I474-L491 HydrophobicContact CG2-CD1 4.14Å; L491-V493 PolarHBondContact O-N 3.32Å; L491-T508 CarbonylContact O-C 3.55Å; L491-T508 WeakPolarHBondContact O-CA 3.47Å; L491-L509 HydrophobicContact CB-CB 4.23Å; L491-L509 HydrophobicContact CD1-CD2 4.33Å; L491-L509 PolarHBondContact N-O 3.06Å; L491-L509 PolarHBondContact O-N 2.95Å; L491-V511 HydrophobicContact CD1-CG2 3.6Å; L491-V511 HydrophobicContact CG-CG2 4.27Å
492P90.5Very high85.8Confident17 Ų1773.2 Ų73.211%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-64.7117.216827.1-32.3000109.5D453 V456 R490 T506 T508D453-P492 HydrophobicContact CB-CB 3.73Å; D453-P492 HydrophobicContact CB-CG 3.83Å; D453-P492 WeakPolarHBondContact CB-O 3.45Å; D453-P492 PolarHBondContact N-O 3.43Å; V456-P492 HydrophobicContact CB-CG 4.26Å; V456-P492 HydrophobicContact CG2-CG 3.58Å; R490-P492 WeakPolarHBondContact O-CD 3.28Å; P492-T506 HydrophobicContact CB-CG2 3.64Å; P492-T508 HydrophobicContact CB-CG2 4.02Å
493V90.4Very high86.3Confident0 Ų068.4 Ų68.40%034%0.337CS..EExtended strand (participates in β ladder)trans-105.7120174.9-177.10000107.3F413 I434 F450 A451 L452 L464 L491 I495 T506 N507F413-V493 HydrophobicContact CE1-CB 4.21Å; F413-V493 HydrophobicContact CE1-CG1 4.37Å; F413-V493 HydrophobicContact CZ-CB 3.9Å; F413-V493 HydrophobicContact CZ-CG2 4.11Å; I434-V493 HydrophobicContact CD1-CB 4.43Å; I434-V493 HydrophobicContact CD1-CG1 3.85Å; I434-V493 HydrophobicContact CD1-CG2 4.15Å; F450-V493 HydrophobicContact CD1-CG1 4.19Å; A451-V493 CarbonylContact O-C 3.5Å; A451-V493 WeakPolarHBondContact O-CA 3.49Å; L452-V493 HydrophobicContact CD2-CG2 4.4Å; L464-V493 HydrophobicContact CD1-CG1 3.83Å; L491-V493 PolarHBondContact O-N 3.32Å; V493-I495 HydrophobicContact CG1-CG1 4.4Å; V493-T506 CarbonylContact O-C 3.44Å; V493-T506 WeakPolarHBondContact O-CA 3.45Å; V493-N507 PolarHBondContact N-O 2.77Å; V493-N507 PolarHBondContact O-N 3.21Å
494L91.3Very high86.9Confident45 Ų4568.1 Ų68.124%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-82.7126.4170.3-178.571.9000108.4A451 S505 T506A451-L494 PolarHBondContact N-O 3.07Å; A451-L494 PolarHBondContact O-N 3.08Å; L494-S505 WeakPolarHBondContact CA-O 3.43Å; L494-T506 WeakPolarHBondContact CD1-OG1 3.34Å
495I91.1Very high87.7Confident0 Ų057.2 Ų57.20%031%0.308CS..EExtended strand (participates in β ladder)trans-114.8127.8176-44.3171.8000106.1P411 F413 A436 F448 N449 F450 V493 S504 S505P411-I495 HydrophobicContact CB-CG2 3.94Å; P411-I495 HydrophobicContact CG-CB 4.28Å; P411-I495 HydrophobicContact CG-CG2 3.79Å; F413-I495 HydrophobicContact CD1-CD1 3.38Å; F413-I495 HydrophobicContact CE1-CD1 3.57Å; F413-I495 HydrophobicContact CE1-CG1 4.27Å; F413-I495 HydrophobicContact CG-CD1 4.39Å; A436-I495 HydrophobicContact CB-CD1 4.04Å; A436-I495 HydrophobicContact CB-CG2 3.85Å; F448-I495 HydrophobicContact CB-CG2 4Å; F448-I495 HydrophobicContact CG-CG2 4.34Å; N449-I495 WeakPolarHBondContact O-CA 3.41Å; F450-I495 HydrophobicContact CD1-CG1 3.96Å; F450-I495 HydrophobicContact CD1-CG2 4.15Å; F450-I495 HydrophobicContact CE1-CD1 4.14Å; F450-I495 HydrophobicContact CE1-CG1 4.01Å; F450-I495 HydrophobicContact CE1-CG2 3.88Å; F450-I495 HydrophobicContact CZ-CG2 4.34Å; V493-I495 HydrophobicContact CG1-CG1 4.4Å; I495-S504 CarbonylContact O-C 3.52Å; I495-S504 WeakPolarHBondContact O-CA 3.48Å; I495-S504 WeakPolarHBondContact O-CB 3.5Å; I495-S505 PolarHBondContact N-O 3.49Å; I495-S505 PolarHBondContact O-N 3.18Å
496T90.3Very high88.1Confident35 Ų3555.3 Ų55.322%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-124.9131.8178.8-49.50000108.8F448 N449 A502 L503 S504F448-T496 CarbonylContact C-O 3.59Å; F448-T496 WeakPolarHBondContact CA-O 3.27Å; N449-T496 PolarHBondContact N-O 3.28Å; N449-T496 PolarHBondContact O-N 3.43Å; T496-A502 HydrophobicContact CG2-CB 4.32Å; T496-L503 WeakPolarHBondContact CA-O 3.44Å; T496-L503 WeakPolarHBondContact CG2-O 3.47Å; T496-S504 WeakPolarHBondContact OG1-CB 3.41Å
497D89.9Confident88.5Confident8 Ų852.4 Ų52.44%0.04329%0.291CS..  trans-74.1178.7173.264.345.9000111N407 P411 H446 F448 G499 A502 L503N407-D497 PolarHBondContact ND2-OD2 2.94Å; P411-D497 HydrophobicContact CG-CB 3.98Å; H446-D497 HydrophobicContact CB-CB 4.3Å; F448-D497 HydrophobicContact CD1-CB 4.49Å; D497-G499 WeakPolarHBondContact OD1-CA 3.15Å; D497-G499 PolarHBondContact OD1-N 3.11Å; D497-A502 WeakPolarHBondContact OD1-CA 3.24Å; D497-L503 VanDerWaalsContact CG-N 3.32Å; D497-L503 PolarHBondContact N-O 3.35Å; D497-L503 PolarHBondContact OD1-N 3.41Å; D497-L503 VanDerWaalsContact OD2-CA 3.3Å; D497-L503 WeakPolarHBondContact OD2-CA 3.36Å; D497-L503 VanDerWaalsContact OD2-CB 3.24Å; D497-L503 WeakPolarHBondContact OD2-CB 3.44Å; D497-L503 PolarHBondContact OD2-N 2.9Å
498N86.5Confident88.9Confident92 Ų9253.9 Ų53.949%0.49230%0.296SS..SBendtrans-10917.6171.470.9-19.7000112.6H446 R447H446-N498 VanDerWaalsContact CB-OD1 3.26Å; H446-N498 WeakPolarHBondContact CB-OD1 3.25Å; H446-N498 PolarHBondContact ND1-OD1 3.36Å; R447-N498 HydrophobicContact CB-CB 4.5Å; R447-N498 PolarHBondContact N-OD1 3.1Å
499G82.1Confident89Confident13 Ų1351.6 Ų51.613%0.13428%0.282CS..SBendtrans-68.3175.617900000113N407 D497 P501 A502N407-G499 WeakPolarHBondContact OD1-CA 3.31Å; D497-G499 WeakPolarHBondContact OD1-CA 3.15Å; D497-G499 PolarHBondContact OD1-N 3.11Å; G499-P501 CarbonylContact C-O 3.45Å; G499-P501 CarbonylContact O-C 3.57Å; G499-A502 WeakPolarHBondContact O-CA 3.44Å; G499-A502 PolarHBondContact O-N 3.02Å
500K81.1Confident89.1Confident193 Ų19351 Ų5184%0.83928%0.282SS*.SBendtrans-132.5108.4176.7-70.7-176.1-176.4174.10109.7
501P88.1Confident89.2Confident92 Ų9242.4 Ų42.460%0.59725%0.249SC*.SBendcis-66.1151.9-3.631-35.5000111.8N407 G499N407-P501 PolarHBondContact ND2-O 3.3Å; N407-P501 VanDerWaalsContact ND2-O 3.08Å; G499-P501 CarbonylContact C-O 3.45Å; G499-P501 CarbonylContact O-C 3.57Å
502A88.5Confident89.1Confident60 Ų6047.3 Ų47.350%0.49627%0.268SS..  trans-76127.9176.300000110T496 D497 G499T496-A502 HydrophobicContact CG2-CB 4.32Å; D497-A502 WeakPolarHBondContact OD1-CA 3.24Å; G499-A502 WeakPolarHBondContact O-CA 3.44Å; G499-A502 PolarHBondContact O-N 3.02Å
503L91.3Very high88.9Confident50 Ų5046.5 Ų46.526%0.26226%0.263SS..  trans-105.3157.1177.2-58.1177.4000110.6N407 D408 N409 A410 T496 D497N407-L503 WeakPolarHBondContact O-CD1 3.36Å; D408-L503 WeakPolarHBondContact O-CD1 3.49Å; N409-L503 WeakPolarHBondContact O-CD1 3.4Å; A410-L503 HydrophobicContact CB-CB 3.91Å; T496-L503 WeakPolarHBondContact CA-O 3.44Å; T496-L503 WeakPolarHBondContact CG2-O 3.47Å; D497-L503 VanDerWaalsContact CG-N 3.32Å; D497-L503 PolarHBondContact N-O 3.35Å; D497-L503 PolarHBondContact OD1-N 3.41Å; D497-L503 VanDerWaalsContact OD2-CA 3.3Å; D497-L503 WeakPolarHBondContact OD2-CA 3.36Å; D497-L503 VanDerWaalsContact OD2-CB 3.24Å; D497-L503 WeakPolarHBondContact OD2-CB 3.44Å; D497-L503 PolarHBondContact OD2-N 2.9Å
504S91.4Very high88.5Confident65 Ų6546.5 Ų46.546%0.45526%0.263SS..EExtended strand (participates in β ladder)trans-146.6143.9-178.361.70000112.4I495 T496I495-S504 CarbonylContact O-C 3.52Å; I495-S504 WeakPolarHBondContact O-CA 3.48Å; I495-S504 WeakPolarHBondContact O-CB 3.5Å; T496-S504 WeakPolarHBondContact OG1-CB 3.41Å
505S91.8Very high87.8Confident21 Ų2148.2 Ų48.215%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-122.6155.1172.386.10000110.4P411 L494 I495 N507P411-S505 WeakPolarHBondContact O-CB 3.33Å; P411-S505 PolarHBondContact O-OG 3.38Å; L494-S505 WeakPolarHBondContact CA-O 3.43Å; I495-S505 PolarHBondContact N-O 3.49Å; I495-S505 PolarHBondContact O-N 3.18Å; S505-N507 PolarHBondContact OG-OD1 3.01Å
506T91.4Very high87Confident70 Ų7050 Ų5043%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-114112172.9-56.90000109.5D453 P492 V493 L494D453-T506 HydrophobicContact CB-CG2 4.22Å; P492-T506 HydrophobicContact CB-CG2 3.64Å; V493-T506 CarbonylContact O-C 3.44Å; V493-T506 WeakPolarHBondContact O-CA 3.45Å; L494-T506 WeakPolarHBondContact CD1-OG1 3.34Å
507N90.1Very high85.9Confident35 Ų3550.2 Ų50.219%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-110.3136.7178.4-67.451.5000110.1F413 V493 S505F413-N507 HydrophobicContact CD1-CB 4.01Å; F413-N507 HydrophobicContact CD2-CB 3.38Å; F413-N507 HydrophobicContact CE1-CB 3.95Å; F413-N507 HydrophobicContact CE2-CB 3.33Å; F413-N507 HydrophobicContact CG-CB 3.71Å; F413-N507 HydrophobicContact CZ-CB 3.62Å; F413-N507 PolarHBondContact N-ND2 3.04Å; V493-N507 PolarHBondContact N-O 2.77Å; V493-N507 PolarHBondContact O-N 3.21Å; S505-N507 PolarHBondContact OG-OD1 3.01Å
508T89.8Confident84.7Confident78 Ų7855.6 Ų55.648%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-97.1113.2-175.951.30000112.6L491 P492L491-T508 CarbonylContact O-C 3.55Å; L491-T508 WeakPolarHBondContact O-CA 3.47Å; P492-T508 HydrophobicContact CB-CG2 4.02Å
509L90.4Very high83.6Confident0 Ų057.7 Ų57.70%033%0.333CS..EExtended strand (participates in β ladder)trans-77.4127169.4171.568.3000110.4Y417 T419 Q432 I474 L491 V511Y417-L509 VanDerWaalsContact CB-CD1 3.46Å; Y417-L509 WeakPolarHBondContact O-CD1 3.36Å; T419-L509 HydrophobicContact CG2-CD1 4.1Å; T419-L509 HydrophobicContact CG2-CD2 4.39Å; T419-L509 HydrophobicContact CG2-CG 4.42Å; Q432-L509 HydrophobicContact CG-CD1 4.46Å; I474-L509 HydrophobicContact CB-CD2 4.42Å; I474-L509 HydrophobicContact CG1-CD2 3.7Å; I474-L509 HydrophobicContact CG2-CD2 4.47Å; L491-L509 HydrophobicContact CB-CB 4.23Å; L491-L509 HydrophobicContact CD1-CD2 4.33Å; L491-L509 PolarHBondContact N-O 3.06Å; L491-L509 PolarHBondContact O-N 2.95Å; L509-V511 HydrophobicContact CD2-CG2 4.17Å; L509-V511 HydrophobicContact CG-CG2 4.11Å
510S89.1Confident82.6Confident16 Ų1658.2 Ų58.211%0.11234%0.339CS..EExtended strand (participates in β ladder)trans-96.2117.1175.1-65.60000110.8T419T419-S510 PolarHBondContact N-O 2.8Å
511V88.6Confident81.9Confident0 Ų053.2 Ų53.20%032%0.324CS..EExtended strand (participates in β ladder)trans-107.4113.5178-175.80000108.9T419 L421 I431 F462 V488 Y489 L491 L509T419-V511 HydrophobicContact CG2-CB 4.14Å; T419-V511 HydrophobicContact CG2-CG1 4.11Å; T419-V511 HydrophobicContact CG2-CG2 3.69Å; T419-V511 CarbonylContact O-C 3.46Å; T419-V511 WeakPolarHBondContact O-CA 3.21Å; L421-V511 HydrophobicContact CB-CG1 3.55Å; L421-V511 HydrophobicContact CD2-CG1 4.13Å; L421-V511 HydrophobicContact CG-CG1 4.44Å; I431-V511 HydrophobicContact CD1-CG1 4.08Å; I431-V511 HydrophobicContact CD1-CG2 4.28Å; F462-V511 HydrophobicContact CE1-CG1 4.18Å; F462-V511 HydrophobicContact CZ-CB 4.44Å; F462-V511 HydrophobicContact CZ-CG1 3.99Å; V488-V511 CarbonylContact C-O 3.33Å; V488-V511 WeakPolarHBondContact CA-O 3.42Å; Y489-V511 PolarHBondContact N-O 3.28Å; Y489-V511 PolarHBondContact O-N 2.86Å; L491-V511 HydrophobicContact CD1-CG2 3.6Å; L491-V511 HydrophobicContact CG-CG2 4.27Å; L509-V511 HydrophobicContact CD2-CG2 4.17Å; L509-V511 HydrophobicContact CG-CG2 4.11Å
512R87.2Confident80.7Confident104 Ų10450 Ų5039%0.39231%0.305SS..EExtended strand (participates in β ladder)trans-100.4131178.8-56.3-169.9-173.1-143.72.5111E418 T419 L420 L421 A487 V488E418-R512 IonicContact OE1-NH2 3.42Å; E418-R512 IonicContact OE2-CZ 3.37Å; E418-R512 IonicContact OE2-NE 3.93Å; E418-R512 IonicContact OE2-NH2 3.73Å; E418-R512 PolarHBondContact OE2-NH2 3.1Å; T419-R512 PolarHBondContact O-N 2.87Å; L420-R512 CarbonylContact C-O 3.59Å; L420-R512 WeakPolarHBondContact CA-O 3.37Å; L420-R512 HydrophobicContact CD2-CB 3.98Å; L421-R512 PolarHBondContact N-O 3.26Å; A487-R512 WeakPolarHBondContact O-CA 3.31Å; V488-R512 HydrophobicContact CG1-CG 4.43Å; V488-R512 HydrophobicContact CG2-CG 4.13Å
513V86.5Confident79.4Confident0 Ų052.9 Ų52.90%031%0.312CS..EExtended strand (participates in β ladder)trans-85.9120.9179.1-171.40000110.4L421 E423 F481 R483 Q486 A487 Y489 C525L421-V513 HydrophobicContact CD2-CG2 4.24Å; L421-V513 CarbonylContact O-C 3.54Å; L421-V513 VanDerWaalsContact O-CA 3.28Å; L421-V513 WeakPolarHBondContact O-CA 3.41Å; E423-V513 HydrophobicContact CG-CG1 3.7Å; F481-V513 HydrophobicContact CB-CG1 4.11Å; R483-V513 HydrophobicContact CB-CB 4.38Å; R483-V513 HydrophobicContact CB-CG1 4.17Å; R483-V513 WeakPolarHBondContact CD-O 3.47Å; R483-V513 WeakPolarHBondContact CG-O 3.27Å; Q486-V513 WeakPolarHBondContact O-CG2 3.37Å; A487-V513 PolarHBondContact O-N 3.48Å; Y489-V513 HydrophobicContact CD2-CG2 3.94Å; Y489-V513 HydrophobicContact CE2-CG2 3.6Å; V513-C525 PolarHBondContact O-SG 2.88Å
514C81.7Confident77.9Confident0 Ų054.3 Ų54.30%033%0.326CS..EExtended strand (participates in β ladder)trans-123160-178.6-38.80000112.4L421 E423 C516 A522 C525L421-C514 PolarHBondContact O-N 2.82Å; E423-C514 PolarHBondContact N-O 2.94Å; E423-C514 VanDerWaalsContact N-O 3.13Å; C514-C516 PolarHBondContact O-SG 2.79Å; C514-A522 HydrophobicContact CB-CB 4.16Å; C514-C525 WeakPolarHBondContact CA-SG 3.22Å; C514-C525 HydrophobicContact CB-CB 3.97Å; C514-C525 WeakPolarHBondContact CB-SG 3.3Å; C514-C525 PolarHBondContact N-SG 3.42Å; C514-C525 VanDerWaalsContact N-SG 3.44Å; C514-C525 VanDerWaalsContact SG-CA 3.5Å; C514-C525 WeakPolarHBondContact SG-CB 3.43Å; C514-C525 PolarHBondContact SG-N 3.02Å; C514-C525 VanDerWaalsContact SG-N 3.37Å; C514-C525 CovalentContact SG-SG 2.01Å; C514-C525 PolarHBondContact SG-SG 3.3Å
515D77.6Confident76.6Confident81 Ų8152.7 Ų52.743%0.43331%0.314SS..EExtended strand (participates in β ladder)trans-69.8152.3166.9-52.5-53.1000110R483 L523R483-D515 IonicContact NH1-OD2 3.89Å; R483-D515 PolarHBondContact NH1-OD2 3.5Å; D515-L523 PolarHBondContact O-N 3.41Å
516C73.2Confident74.8Confident37 Ų3753.2 Ų53.225%0.2532%0.323CS..EExtended strand (participates in β ladder)trans-126.2154.7-169.6-28.40000112.2C422 E423 C514 V521C422-C516 VanDerWaalsContact C-SG 3.57Å; C422-C516 WeakPolarHBondContact CA-SG 3.32Å; C422-C516 HydrophobicContact CB-CB 4.02Å; C422-C516 WeakPolarHBondContact CB-SG 3.47Å; C422-C516 WeakPolarHBondContact SG-CB 3.41Å; C422-C516 CovalentContact SG-SG 1.97Å; C422-C516 PolarHBondContact SG-SG 2.85Å; E423-C516 PolarHBondContact N-SG 3.13Å; C514-C516 PolarHBondContact O-SG 2.79Å; C516-V521 WeakPolarHBondContact CA-O 3.34Å
517D69.1Low72.6Confident39 Ų3954.1 Ų54.121%0.20934%0.338CS..  trans-74.7176.4167.95037.7000113.3D519 G520 V521 L523D517-D519 PolarHBondContact O-N 3.03Å; D517-D519 WeakPolarHBondContact OD1-CA 3.09Å; D517-D519 PolarHBondContact OD1-N 2.91Å; D517-G520 PolarHBondContact O-N 2.64Å; D517-G520 VanDerWaalsContact O-N 3.16Å; D517-G520 PolarHBondContact OD1-N 3.21Å; D517-V521 PolarHBondContact N-O 2.64Å; D517-V521 VanDerWaalsContact N-O 3.07Å; D517-V521 PolarHBondContact OD1-N 3.45Å; D517-L523 HydrophobicContact CB-CD1 3.46Å; D517-L523 VanDerWaalsContact CB-CD1 3.46Å; D517-L523 HydrophobicContact CB-CG 4.03Å; D517-L523 WeakPolarHBondContact OD2-CG 3.16Å
518S64.4Low70.5Confident121 Ų12158.3 Ų58.385%0.84636%0.364SS*.THydrogen-bonded Turntrans-56.3-19170.8470000114.5
519D62.3Low67.9Low136 Ų13657.4 Ų57.473%0.72737%0.365SS*.THydrogen-bonded Turntrans-99.11.4-178.6-62.2-33.7000112.5D517D517-D519 PolarHBondContact O-N 3.03Å; D517-D519 WeakPolarHBondContact OD1-CA 3.09Å; D517-D519 PolarHBondContact OD1-N 2.91Å
520G62.4Low65.4Low25 Ų2567.9 Ų67.926%0.25841%0.406SS..SBendtrans79.916.6177.100000114.3D517D517-G520 PolarHBondContact O-N 2.64Å; D517-G520 VanDerWaalsContact O-N 3.16Å; D517-G520 PolarHBondContact OD1-N 3.21Å
521V64.8Low63.1Low87 Ų8772.8 Ų72.853%0.52744%0.435SS..  trans-97136.4177.2-174.70000109.5C516 D517 L523C516-V521 WeakPolarHBondContact CA-O 3.34Å; D517-V521 PolarHBondContact N-O 2.64Å; D517-V521 VanDerWaalsContact N-O 3.07Å; D517-V521 PolarHBondContact OD1-N 3.45Å; V521-L523 PolarHBondContact O-N 2.77Å
522A64.2Low60.9Low24 Ų2476.5 Ų76.520%0.19847%0.466CS..EExtended strand (participates in β ladder)trans-74.9112.2-179.700000110.4L420 C514L420-A522 HydrophobicContact CB-CB 3.86Å; C514-A522 HydrophobicContact CB-CB 4.16Å
523L60.4Low59.1Low122 Ų12277.5 Ų77.564%0.63948%0.483SS*.EExtended strand (participates in β ladder)trans-91.1-34.2-170.1-87.5175.5000114.8D515 D517 V521D515-L523 PolarHBondContact O-N 3.41Å; D517-L523 HydrophobicContact CB-CD1 3.46Å; D517-L523 VanDerWaalsContact CB-CD1 3.46Å; D517-L523 HydrophobicContact CB-CG 4.03Å; D517-L523 WeakPolarHBondContact OD2-CG 3.16Å; V521-L523 PolarHBondContact O-N 2.77Å
524S59.6Low57.6Low79 Ų7981 Ų8155%0.55252%0.52SS*.EExtended strand (participates in β ladder)trans-170.1124.8166.364.40000111.5G526S524-G526 PolarHBondContact O-N 3.04Å; S524-G526 VanDerWaalsContact O-N 3.1Å
525C63.5Low56.3Low31 Ų3185.1 Ų85.121%0.20954%0.541CS..  trans-74.696.6160-890000106.3V513 C514 A527V513-C525 PolarHBondContact O-SG 2.88Å; C514-C525 WeakPolarHBondContact CA-SG 3.22Å; C514-C525 HydrophobicContact CB-CB 3.97Å; C514-C525 WeakPolarHBondContact CB-SG 3.3Å; C514-C525 PolarHBondContact N-SG 3.42Å; C514-C525 VanDerWaalsContact N-SG 3.44Å; C514-C525 VanDerWaalsContact SG-CA 3.5Å; C514-C525 WeakPolarHBondContact SG-CB 3.43Å; C514-C525 PolarHBondContact SG-N 3.02Å; C514-C525 VanDerWaalsContact SG-N 3.37Å; C514-C525 CovalentContact SG-SG 2.01Å; C514-C525 PolarHBondContact SG-SG 3.3Å; C525-A527 PolarHBondContact O-N 2.86Å
526G55.3Low55.7Low32 Ų3285 Ų8533%0.3355%0.547SS..  trans-38.7113.8-177.800000110.4R483 S524 V528R483-G526 PolarHBondContact NH2-O 3.14Å; S524-G526 PolarHBondContact O-N 3.04Å; S524-G526 VanDerWaalsContact O-N 3.1Å; G526-V528 PolarHBondContact O-N 3.45Å
527A45.5Very low55.3Low90 Ų9088.8 Ų88.874%0.74457%0.569SS**  trans-53116.5-178.200000106.6C525 A529C525-A527 PolarHBondContact O-N 2.86Å; A527-A529 PolarHBondContact O-N 3.09Å
528V45.4Very low55.3Low123 Ų12388.9 Ų88.975%0.74558%0.58SS**  trans-68.484.4146-173.50000102.6G526 Y530G526-V528 PolarHBondContact O-N 3.45Å; V528-Y530 VanDerWaalsContact C-N 3.32Å; V528-Y530 PolarHBondContact O-N 3Å
529A34.6Very low55.4Low59 Ų5984.7 Ų84.749%0.48855%0.552SS.*  trans-47.1116.3149.200000103.2A527 T531A527-A529 PolarHBondContact O-N 3.09Å; A529-T531 HydrophobicContact CB-CG2 4.16Å; A529-T531 PolarHBondContact O-N 2.81Å
530Y38.9Very low55.7Low220 Ų22083.5 Ų83.586%0.86355%0.545SS*.  trans-57.986.5147.7-75-89.3000103.9V528 A532V528-Y530 VanDerWaalsContact C-N 3.32Å; V528-Y530 PolarHBondContact O-N 3Å; Y530-A532 PolarHBondContact O-N 2.82Å
531T41.1Very low56.3Low119 Ų11988 Ų8873%0.7356%0.563SS**  trans-65.184.3151.346.30000102.5A529 T533A529-T531 HydrophobicContact CB-CG2 4.16Å; A529-T531 PolarHBondContact O-N 2.81Å; T531-T533 VanDerWaalsContact C-N 3.31Å; T531-T533 PolarHBondContact O-N 2.85Å
532A41.1Very low56.8Low77 Ų7786.4 Ų86.464%0.63656%0.559SS**  trans-42.6113.6157.800000103.8Y530 G534Y530-A532 PolarHBondContact O-N 2.82Å; A532-G534 PolarHBondContact O-N 3.03Å; A532-G534 VanDerWaalsContact O-N 3.09Å
533T50.3Low57.5Low125 Ų12589.3 Ų89.377%0.76757%0.57SS**  trans-34121176.842.50000108T531 L535T531-T533 VanDerWaalsContact C-N 3.31Å; T531-T533 PolarHBondContact O-N 2.85Å; T533-L535 PolarHBondContact O-N 2.94Å
534G53.5Low58.5Low75 Ų7588.1 Ų88.177%0.77356%0.564SS**  trans-37.9111.5-17100000110.4A532 S536A532-G534 PolarHBondContact O-N 3.03Å; A532-G534 VanDerWaalsContact O-N 3.09Å; G534-S536 VanDerWaalsContact C-N 3.34Å; G534-S536 PolarHBondContact O-N 2.8Å
535L54.2Low59.6Low85 Ų8585.8 Ų85.845%0.44555%0.553SS.*  trans-58.4110.9164.2-114.279.3000104.7T533 T537 A539 I543T533-L535 PolarHBondContact O-N 2.94Å; L535-T537 PolarHBondContact O-N 2.84Å; L535-A539 HydrophobicContact CB-CB 3.95Å; L535-A539 HydrophobicContact CD2-CB 3.52Å; L535-A539 HydrophobicContact CG-CB 3.44Å; L535-A539 VanDerWaalsContact CG-CB 3.44Å; L535-I543 HydrophobicContact CD2-CD1 3.25Å; L535-I543 HydrophobicContact CD2-CG1 4.19Å
536S66.1Low60.6Low79 Ų7988 Ų8855%0.55257%0.567SS**  trans-40.9144.3170.3166.70000108.4G534 G538 A539 L540G534-S536 VanDerWaalsContact C-N 3.34Å; G534-S536 PolarHBondContact O-N 2.8Å; S536-G538 CarbonylContact O-C 3.59Å; S536-G538 PolarHBondContact O-N 3.34Å; S536-G538 PolarHBondContact OG-N 3.41Å; S536-A539 WeakPolarHBondContact O-CA 3.49Å; S536-A539 WeakPolarHBondContact O-CB 3.37Å; S536-A539 PolarHBondContact O-N 3.2Å; S536-L540 PolarHBondContact O-N 2.82Å; S536-L540 VanDerWaalsContact O-N 3.11Å
537T65.5Low62Low116 Ų11690.6 Ų90.671%0.71257%0.573SS**Hα-helixtrans-48.3-28.5173.246.10000111.6L535 L541L535-T537 PolarHBondContact O-N 2.84Å; T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.39Å; T537-L541 PolarHBondContact O-N 2.92Å
538G69Low63.9Low42 Ų4290.7 Ų90.743%0.43356%0.56SS.*Hα-helixtrans-65.5-36.1170.400000115.5S536 A542S536-G538 CarbonylContact O-C 3.59Å; S536-G538 PolarHBondContact O-N 3.34Å; S536-G538 PolarHBondContact OG-N 3.41Å; G538-A542 VanDerWaalsContact O-CB 3.29Å; G538-A542 WeakPolarHBondContact O-CB 3.21Å; G538-A542 PolarHBondContact O-N 2.86Å
539A65.6Low65.7Low32 Ų3288.9 Ų88.926%0.26455%0.549SS..Hα-helixtrans-77.6-32.8176.100000112.3L535 S536 A542 I543L535-A539 HydrophobicContact CB-CB 3.95Å; L535-A539 HydrophobicContact CD2-CB 3.52Å; L535-A539 HydrophobicContact CG-CB 3.44Å; L535-A539 VanDerWaalsContact CG-CB 3.44Å; S536-A539 WeakPolarHBondContact O-CA 3.49Å; S536-A539 WeakPolarHBondContact O-CB 3.37Å; S536-A539 PolarHBondContact O-N 3.2Å; A539-A542 PolarHBondContact O-N 2.97Å; A539-I543 WeakPolarHBondContact O-CG1 3.41Å; A539-I543 PolarHBondContact O-N 2.94Å
540L69.3Low68.1Low111 Ų11191.2 Ų91.258%0.58155%0.553SS**Hα-helixtrans-65.3-41.9169.4-105.2155.9000111.4S536 A542 I543 L544S536-L540 PolarHBondContact O-N 2.82Å; S536-L540 VanDerWaalsContact O-N 3.11Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-I543 PolarHBondContact O-N 3.2Å; L540-L544 VanDerWaalsContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CB 2.77Å; L540-L544 PolarHBondContact O-N 2.88Å
541L74.6Confident70.3Confident120 Ų12085.8 Ų85.863%0.62854%0.538SS*.Hα-helixtrans-66.6-33.3172.1-72.1170.3000112.5T537 G545T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.39Å; T537-L541 PolarHBondContact O-N 2.92Å; L541-G545 PolarHBondContact O-N 2.99Å
542A74.7Confident72.5Confident54 Ų5483.8 Ų83.845%0.44653%0.526SS..Hα-helixtrans-71-40.4174.800000112.2G538 A539 L540 G545 C546G538-A542 VanDerWaalsContact O-CB 3.29Å; G538-A542 WeakPolarHBondContact O-CB 3.21Å; G538-A542 PolarHBondContact O-N 2.86Å; A539-A542 PolarHBondContact O-N 2.97Å; L540-A542 VanDerWaalsContact C-N 3.33Å; A542-G545 CarbonylContact O-C 3.54Å; A542-G545 PolarHBondContact O-N 2.92Å; A542-C546 WeakPolarHBondContact O-CB 2.81Å; A542-C546 PolarHBondContact O-N 3.27Å; A542-C546 PolarHBondContact O-SG 3.2Å; A542-C546 VanDerWaalsContact O-SG 3.39Å
543I78.8Confident74.4Confident84 Ų8485.6 Ų85.643%0.43152%0.523SS..Hα-helixtrans-67.8-43.5174-69.1177.9000110.3L535 A539 L540 G545 C546 I547L535-I543 HydrophobicContact CD2-CD1 3.25Å; L535-I543 HydrophobicContact CD2-CG1 4.19Å; A539-I543 WeakPolarHBondContact O-CG1 3.41Å; A539-I543 PolarHBondContact O-N 2.94Å; L540-I543 PolarHBondContact O-N 3.2Å; I543-G545 VanDerWaalsContact C-N 3.28Å; I543-G545 PolarHBondContact O-N 3.18Å; I543-C546 CarbonylContact O-C 3.59Å; I543-C546 PolarHBondContact O-N 3.16Å; I543-C546 VanDerWaalsContact O-N 3.15Å; I543-I547 HydrophobicContact CG2-CD1 3.72Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.27Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 2.84Å
544L81.2Confident76Confident97 Ų9783.3 Ų83.351%0.50851%0.508SS..Hα-helixtrans-61.7-40.1174.8-158.882.7000110.6L540 I547 I548L540-L544 VanDerWaalsContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CB 2.77Å; L540-L544 PolarHBondContact O-N 2.88Å; L544-I547 PolarHBondContact O-N 3.09Å; L544-I548 HydrophobicContact CD2-CD1 4.31Å; L544-I548 HydrophobicContact CG-CD1 4.1Å; L544-I548 WeakPolarHBondContact O-CB 3.19Å; L544-I548 WeakPolarHBondContact O-CD1 3.35Å; L544-I548 WeakPolarHBondContact O-CG1 3.26Å; L544-I548 PolarHBondContact O-N 3.34Å
545G83.6Confident77.2Confident31 Ų3184.8 Ų84.832%0.3250%0.498SS..Hα-helixtrans-62.9-41.7171.700000112.9L541 A542 I543 I548 T549L541-G545 PolarHBondContact O-N 2.99Å; A542-G545 CarbonylContact O-C 3.54Å; A542-G545 PolarHBondContact O-N 2.92Å; I543-G545 VanDerWaalsContact C-N 3.28Å; I543-G545 PolarHBondContact O-N 3.18Å; G545-I548 PolarHBondContact O-N 2.74Å; G545-T549 VanDerWaalsContact O-CB 3.32Å; G545-T549 WeakPolarHBondContact O-CB 3.21Å; G545-T549 WeakPolarHBondContact O-CG2 3.38Å; G545-T549 PolarHBondContact O-N 2.63Å; G545-T549 PolarHBondContact O-OG1 2.84Å
546C84.2Confident78.3Confident76 Ų7685 Ų8551%0.51450%0.499SS..Hα-helixtrans-65.7-40.4174.9-810000112A542 I543 T549 L550A542-C546 WeakPolarHBondContact O-CB 2.81Å; A542-C546 PolarHBondContact O-N 3.27Å; A542-C546 PolarHBondContact O-SG 3.2Å; A542-C546 VanDerWaalsContact O-SG 3.39Å; I543-C546 CarbonylContact O-C 3.59Å; I543-C546 PolarHBondContact O-N 3.16Å; I543-C546 VanDerWaalsContact O-N 3.15Å; C546-T549 VanDerWaalsContact CA-OG1 3.24Å; C546-T549 WeakPolarHBondContact CA-OG1 3.3Å; C546-T549 PolarHBondContact O-N 2.87Å; C546-T549 PolarHBondContact O-OG1 3.13Å; C546-L550 VanDerWaalsContact O-CB 3.3Å; C546-L550 WeakPolarHBondContact O-CB 3.49Å; C546-L550 PolarHBondContact O-N 2.92Å
547I85.7Confident78.7Confident87 Ų8785.5 Ų85.545%0.44649%0.494SS..Hα-helixtrans-68.9-43.3177.5-68.2168.4000110.3I543 L544 L550 L551I543-I547 HydrophobicContact CG2-CD1 3.72Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.27Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 2.84Å; L544-I547 PolarHBondContact O-N 3.09Å; I547-L550 PolarHBondContact O-N 2.84Å; I547-L551 HydrophobicContact CG2-CD1 4.11Å; I547-L551 WeakPolarHBondContact O-CB 3.26Å; I547-L551 PolarHBondContact O-N 3.14Å
548I84.7Confident79Confident92 Ų9283.4 Ų83.447%0.47248%0.481SS..Hα-helixtrans-64.9-41.2175.9-69.3167000110.5L544 G545 L551 V552L544-I548 HydrophobicContact CD2-CD1 4.31Å; L544-I548 HydrophobicContact CG-CD1 4.1Å; L544-I548 WeakPolarHBondContact O-CB 3.19Å; L544-I548 WeakPolarHBondContact O-CD1 3.35Å; L544-I548 WeakPolarHBondContact O-CG1 3.26Å; L544-I548 PolarHBondContact O-N 3.34Å; G545-I548 PolarHBondContact O-N 2.74Å; I548-L551 PolarHBondContact O-N 2.95Å; I548-V552 HydrophobicContact CG2-CG2 4.42Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 WeakPolarHBondContact O-CG2 3.26Å; I548-V552 PolarHBondContact O-N 2.81Å
549T82.3Confident78.8Confident86 Ų8683.9 Ų83.953%0.52848%0.476SS..Hα-helixtrans-69.7-34.5176.451.70000112.5G545 C546 V552 M553G545-T549 VanDerWaalsContact O-CB 3.32Å; G545-T549 WeakPolarHBondContact O-CB 3.21Å; G545-T549 WeakPolarHBondContact O-CG2 3.38Å; G545-T549 PolarHBondContact O-N 2.63Å; G545-T549 PolarHBondContact O-OG1 2.84Å; C546-T549 VanDerWaalsContact CA-OG1 3.24Å; C546-T549 WeakPolarHBondContact CA-OG1 3.3Å; C546-T549 PolarHBondContact O-N 2.87Å; C546-T549 PolarHBondContact O-OG1 3.13Å; T549-V552 PolarHBondContact O-N 3.45Å; T549-M553 VanDerWaalsContact O-CB 3.3Å; T549-M553 WeakPolarHBondContact O-CB 3.26Å; T549-M553 PolarHBondContact O-N 2.91Å
550L86.1Confident78.7Confident108 Ų10886.6 Ų86.657%0.56548%0.484SS*.Hα-helixtrans-66.3-43.1170.3-103.7160.6000111.8C546 I547 V552 M553 V554C546-L550 VanDerWaalsContact O-CB 3.3Å; C546-L550 WeakPolarHBondContact O-CB 3.49Å; C546-L550 PolarHBondContact O-N 2.92Å; I547-L550 PolarHBondContact O-N 2.84Å; L550-V552 VanDerWaalsContact C-N 3.35Å; L550-M553 CarbonylContact O-C 3.56Å; L550-M553 PolarHBondContact O-N 3.07Å; L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.27Å; L550-V554 WeakPolarHBondContact O-CG2 3.26Å; L550-V554 PolarHBondContact O-N 2.99Å
551L85Confident78.1Confident105 Ų10591.1 Ų91.155%0.5549%0.493SS..Hα-helixtrans-63.1-41.5175-97.5157000111.4I547 I548 V554 L555I547-L551 HydrophobicContact CG2-CD1 4.11Å; I547-L551 WeakPolarHBondContact O-CB 3.26Å; I547-L551 PolarHBondContact O-N 3.14Å; I548-L551 PolarHBondContact O-N 2.95Å; L551-V554 PolarHBondContact O-N 2.81Å; L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.42Å; L551-L555 PolarHBondContact O-N 2.92Å
552V86.4Confident77.1Confident77 Ų7795.6 Ų95.647%0.46750%0.502SS..Hα-helixtrans-67.6-36.4173.4170.90000111.2I548 T549 L550 L556I548-V552 HydrophobicContact CG2-CG2 4.42Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 WeakPolarHBondContact O-CG2 3.26Å; I548-V552 PolarHBondContact O-N 2.81Å; T549-V552 PolarHBondContact O-N 3.45Å; L550-V552 VanDerWaalsContact C-N 3.35Å; V552-L556 HydrophobicContact CG1-CD1 3.92Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.35Å
553M82.3Confident75.9Confident116 Ų116103.2 Ų103.257%0.57152%0.519SS*.Hα-helixtrans-67.3-40.4172.9-105.3-118.4-102.300111.9T549 L550 L556 I557T549-M553 VanDerWaalsContact O-CB 3.3Å; T549-M553 WeakPolarHBondContact O-CB 3.26Å; T549-M553 PolarHBondContact O-N 2.91Å; L550-M553 CarbonylContact O-C 3.56Å; L550-M553 PolarHBondContact O-N 3.07Å; M553-L556 CarbonylContact O-C 3.56Å; M553-L556 PolarHBondContact O-N 2.84Å; M553-I557 VanDerWaalsContact O-CB 3.31Å; M553-I557 WeakPolarHBondContact O-CB 3.47Å; M553-I557 WeakPolarHBondContact O-CD1 3.41Å; M553-I557 WeakPolarHBondContact O-CG1 3.42Å; M553-I557 PolarHBondContact O-N 3.42Å; M553-I557 HydrophobicContact SD-CD1 4.45Å
554V83.6Confident74.2Confident76 Ų76108.8 Ų108.846%0.46154%0.535SS..Hα-helixtrans-68.4-42.3175.4171.40000109.9L550 L551 L556 I557 V558L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.27Å; L550-V554 WeakPolarHBondContact O-CG2 3.26Å; L550-V554 PolarHBondContact O-N 2.99Å; L551-V554 PolarHBondContact O-N 2.81Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 3.04Å; V554-I557 PolarHBondContact O-N 2.86Å; V554-V558 HydrophobicContact CG1-CG2 4.37Å; V554-V558 WeakPolarHBondContact O-CB 3.36Å; V554-V558 WeakPolarHBondContact O-CG2 3.07Å; V554-V558 PolarHBondContact O-N 2.85Å
555L78.2Confident72.3Confident107 Ų107112.6 Ų112.656%0.5655%0.547SS*.Hα-helixtrans-62.8-37.8171.1-106.7147.3000111.8L551 T559L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.42Å; L551-L555 PolarHBondContact O-N 2.92Å; L555-T559 HydrophobicContact CD2-CG2 4.47Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.43Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.45Å; L555-T559 PolarHBondContact O-OG1 3.41Å
556L76.6Confident70.2Confident89 Ų89119.9 Ų119.947%0.46657%0.573SS.*Hα-helixtrans-69.4-37.7173-86.6164.8000111.6V552 M553 V554 T559 M560V552-L556 HydrophobicContact CG1-CD1 3.92Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.35Å; M553-L556 CarbonylContact O-C 3.56Å; M553-L556 PolarHBondContact O-N 2.84Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 3.04Å; L556-T559 VanDerWaalsContact CA-OG1 3.31Å; L556-T559 WeakPolarHBondContact CA-OG1 3.33Å; L556-T559 PolarHBondContact O-OG1 2.78Å; L556-M560 WeakPolarHBondContact O-CA 3.25Å; L556-M560 WeakPolarHBondContact O-CB 3.35Å; L556-M560 WeakPolarHBondContact O-CG 3.44Å; L556-M560 PolarHBondContact O-N 3.23Å
557I76.5Confident68.1Low90 Ų90121.3 Ų121.346%0.46258%0.581SS.*Hα-helixtrans-70.4-37.9176.3-72161.8000110.1M553 V554 R561M553-I557 VanDerWaalsContact O-CB 3.31Å; M553-I557 WeakPolarHBondContact O-CB 3.47Å; M553-I557 WeakPolarHBondContact O-CD1 3.41Å; M553-I557 WeakPolarHBondContact O-CG1 3.42Å; M553-I557 PolarHBondContact O-N 3.42Å; M553-I557 HydrophobicContact SD-CD1 4.45Å; V554-I557 PolarHBondContact O-N 2.86Å; I557-R561 WeakPolarHBondContact O-CB 3.36Å; I557-R561 WeakPolarHBondContact O-CG 3.38Å; I557-R561 PolarHBondContact O-N 2.95Å
558V70.8Confident65.6Low72 Ų72125.1 Ų125.144%0.43660%0.601SS.*Hα-helixtrans-71.2-42.8175.4170.60000110.7V554 R561 R562V554-V558 HydrophobicContact CG1-CG2 4.37Å; V554-V558 WeakPolarHBondContact O-CB 3.36Å; V554-V558 WeakPolarHBondContact O-CG2 3.07Å; V554-V558 PolarHBondContact O-N 2.85Å; V558-R561 PolarHBondContact O-N 3.01Å; V558-R562 WeakPolarHBondContact O-CB 3.49Å; V558-R562 PolarHBondContact O-N 3.36Å
559T64.8Low63.1Low51 Ų51127.4 Ų127.431%0.31361%0.613SS.*Hα-helixtrans-74.5-29.6175.956.40000112.5L555 L556 R562 R563L555-T559 HydrophobicContact CD2-CG2 4.47Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.43Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.45Å; L555-T559 PolarHBondContact O-OG1 3.41Å; L556-T559 VanDerWaalsContact CA-OG1 3.31Å; L556-T559 WeakPolarHBondContact CA-OG1 3.33Å; L556-T559 PolarHBondContact O-OG1 2.78Å; T559-R562 CarbonylContact O-C 3.57Å; T559-R562 PolarHBondContact O-N 3.3Å; T559-R563 WeakPolarHBondContact O-CA 3.12Å; T559-R563 WeakPolarHBondContact O-CB 3.21Å; T559-R563 WeakPolarHBondContact O-CG 3.4Å; T559-R563 PolarHBondContact O-N 3.36Å
560M62.5Low60.6Low89 Ų89131.4 Ų131.444%0.43863%0.63SS.*Hα-helixtrans-77.8-29.7170.2-73.2-17573.200111.7L556 R562 R563 R564L556-M560 WeakPolarHBondContact O-CA 3.25Å; L556-M560 WeakPolarHBondContact O-CB 3.35Å; L556-M560 WeakPolarHBondContact O-CG 3.44Å; L556-M560 PolarHBondContact O-N 3.23Å; M560-R562 VanDerWaalsContact C-N 3.31Å; M560-R563 PolarHBondContact O-N 3.03Å; M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 WeakPolarHBondContact O-CB 3.21Å; M560-R564 VanDerWaalsContact O-CG 3.31Å; M560-R564 WeakPolarHBondContact O-CG 3.43Å; M560-R564 PolarHBondContact O-N 3.35Å
561R57.3Low58Low207 Ų207134.8 Ų134.878%0.78164%0.643SS**Hα-helixtrans-67.4-33.9165.5-90.3-174.1166.5-176.7-3.2111.1I557 V558I557-R561 WeakPolarHBondContact O-CB 3.36Å; I557-R561 WeakPolarHBondContact O-CG 3.38Å; I557-R561 PolarHBondContact O-N 2.95Å; V558-R561 PolarHBondContact O-N 3.01Å
562R54.5Low56Low213 Ų213138.3 Ų138.380%0.80466%0.657SS**Hα-helixtrans-78.8-26.1172.3-80.2-175.4171.1-170.3-2.3114.1V558 T559 M560V558-R562 WeakPolarHBondContact O-CB 3.49Å; V558-R562 PolarHBondContact O-N 3.36Å; T559-R562 CarbonylContact O-C 3.57Å; T559-R562 PolarHBondContact O-N 3.3Å; M560-R562 VanDerWaalsContact C-N 3.31Å
563R49.5Very low54Low215 Ų215143.4 Ų143.481%0.81168%0.676SS**Hα-helixtrans-103.8-11.1-178.8-70.3-177.2179.6-164.11.2114.5T559 M560 K565T559-R563 WeakPolarHBondContact O-CA 3.12Å; T559-R563 WeakPolarHBondContact O-CB 3.21Å; T559-R563 WeakPolarHBondContact O-CG 3.4Å; T559-R563 PolarHBondContact O-N 3.36Å; M560-R563 PolarHBondContact O-N 3.03Å; R563-K565 PolarHBondContact O-N 2.96Å
564R43.2Very low51.7Low201 Ų201149.5 Ų149.576%0.75869%0.692SS**SBendtrans-8641.2162.2-73.5-171175.7-1780.8111.2M560M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 WeakPolarHBondContact O-CB 3.21Å; M560-R564 VanDerWaalsContact O-CG 3.31Å; M560-R564 WeakPolarHBondContact O-CG 3.43Å; M560-R564 PolarHBondContact O-N 3.35Å
565K40.8Very low49.6Very low177 Ų177151.9 Ų151.977%0.7770%0.702SS**  trans-126.293.6151.9-76.4-166.8177.1-1730106.5R563R563-K565 PolarHBondContact O-N 2.96Å
566Q39.1Very low47.5Very low184 Ų184154.2 Ų154.286%0.8671%0.714SS**  trans173.7150.5148.9-95.9163.818.200108.2
567P40.6Very low45.7Very low105 Ų105159.9 Ų159.968%0.68273%0.729SS**  cis-128.1140.4-17.735.4-18.9000111.2
568L32.5Very low43.8Very low167 Ų167164.3 Ų164.387%0.87475%0.748SS**  trans-128.995.7161.2-77.5157.2000103
569I32.4Very low42Very low141 Ų141168.1 Ų168.172%0.72377%0.766SS**  35.895.996.2-55.6178000108E571I569-E571 VanDerWaalsContact C-N 3.33Å; I569-E571 PolarHBondContact O-N 3.3Å
570L29.3Very low40.7Very low169 Ų169173 Ų17389%0.88579%0.788SS**  trans-57.9103163.1-81.285.2000106.5
571E31.9Very low39.5Very low180 Ų180173.9 Ų173.984%0.84180%0.798SS**  trans-86.1126.9141.1-82-177.5164.200106I569I569-E571 VanDerWaalsContact C-N 3.33Å; I569-E571 PolarHBondContact O-N 3.3Å
572E43.2Very low38.5Very low179 Ų179172.6 Ų172.684%0.83679%0.794SS**SBendtrans-51.5152.1171.9-72.5165.5143.800110.3
573E45.4Very low37.7Very low183 Ų183171.8 Ų171.886%0.85579%0.792SS**  trans77.289.7174.5-53.2179.5157.700116.1
574R33.7Very low37.1Very low245 Ų245167.5 Ų167.593%0.92579%0.785SS**  trans-160100.9134.3-109.3178.5-70.3-162.72.2112.1
575D38.3Very low36.9Very low125 Ų125164 Ų16467%0.66878%0.781SS**  trans33.9107145.6-126.3-17.5000119.1R577D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 PolarHBondContact O-N 2.92Å; D575-R577 WeakPolarHBondContact OD1-CD 3.4Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-NE 3.48Å; D575-R577 PolarHBondContact OD1-NE 3.08Å
576I35Very low37Very low157 Ų157164.2 Ų164.281%0.80579%0.785SS**  trans-90.929.4-178.7-17171.6000112.5E578I576-E578 PolarHBondContact O-N 3.37Å
577R37.5Very low36.8Very low207 Ų207158.1 Ų158.178%0.78177%0.772SS**THydrogen-bonded Turntrans-85.3-1.2-170.7-71.6-177.4-168.4-1231.4116.1D575D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 PolarHBondContact O-N 2.92Å; D575-R577 WeakPolarHBondContact OD1-CD 3.4Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-NE 3.48Å; D575-R577 PolarHBondContact OD1-NE 3.08Å
578E36.6Very low37.2Very low184 Ų184157.4 Ų157.486%0.8678%0.784SS**THydrogen-bonded Turntrans-114.39.3-173.2-74.7-163.6164.900116.8I576I576-E578 PolarHBondContact O-N 3.37Å
579N34.4Very low37.2Very low152 Ų152152.5 Ų152.581%0.81377%0.774SS**  trans-109.135.9175.6-85.55000113.9
580I37.2Very low37.7Very low153 Ų153154.7 Ų154.779%0.78578%0.781SS**  trans-108.793.8164.5-58.4174.4000106.6
581V37.4Very low38.2Very low107 Ų107155 Ų15565%0.64878%0.777SS**  trans-89.4129.8167.6-1780000106.8D585V581-D585 HydrophobicContact CG1-CB 4.05Å
582R35.8Very low38.5Very low180 Ų180154 Ų15468%0.67978%0.778SS**  trans-73.4144.6179.5-73.2-175.3-175-136.30.6109.4D584 D585R582-D584 PolarHBondContact O-N 3.42Å; R582-D585 PolarHBondContact O-N 3.39Å
583Y37.8Very low38.4Very low196 Ų196151.3 Ų151.377%0.76977%0.774SS**G310 helixtrans-55.7-17.4177.1-165.3-102.1000113.4
584D37.8Very low38.2Very low125 Ų125152.3 Ų152.367%0.66878%0.779SS**G310 helixtrans-79.1-19-179.4-43.9-39.8000113R582R582-D584 PolarHBondContact O-N 3.42Å
585D38.1Very low38.5Very low127 Ų127143.3 Ų143.368%0.67976%0.757SS**G310 helixtrans-86.1-11-173.8-73.8-28000113.9V581 R582V581-D585 HydrophobicContact CG1-CB 4.05Å; R582-D585 PolarHBondContact O-N 3.39Å
586E42.1Very low38.5Very low182 Ų182145.2 Ų145.285%0.8576%0.76SS**G310 helixtrans-10411.4-179.9-110.8-176.6-165.500114.8
587G35.3Very low38.8Very low57 Ų57142.3 Ų142.359%0.58875%0.746SS**  trans52.986.6166.100000113.4G589G587-G589 PolarHBondContact O-N 3.09Å
588G49.1Very low38.9Very low90 Ų90139.5 Ų139.593%0.92874%0.743SS**  trans-29.1104179.500000114.2
589G33.6Very low39.2Very low64 Ų64135.6 Ų135.666%0.6673%0.732SS**  trans-112.4112.217500000109.2G587 E591G587-G589 PolarHBondContact O-N 3.09Å; G589-E591 PolarHBondContact O-N 2.98Å
590E42.1Very low39.6Very low187 Ų187132.1 Ų132.187%0.87472%0.716SS**  trans-70.543.2168.8-63-176.9151.900112.3
591E40.3Very low39.7Very low174 Ų174128.6 Ų128.681%0.81370%0.698SS**  trans-115.379.9173.5-78.4-171.6163.800108.2G589G589-E591 PolarHBondContact O-N 2.98Å
592D38.5Very low39.9Very low159 Ų159134.1 Ų134.185%0.8571%0.708SS**  trans177.226.9149.3-86-15.1000112.5E594D592-E594 VanDerWaalsContact C-N 3.25Å; D592-E594 PolarHBondContact O-N 3.08Å
593T40.5Very low40.2Very low124 Ų124130 Ų13076%0.76170%0.699SS**  trans-88.644.5174.262.60000112.9A595T593-A595 PolarHBondContact O-N 2.83Å
594E41.3Very low40.6Very low203 Ų203127.4 Ų127.495%0.94970%0.698SS**  trans-88.722164.4-74.9-157.5173.600112.8D592D592-E594 VanDerWaalsContact C-N 3.25Å; D592-E594 PolarHBondContact O-N 3.08Å
595A40.8Very low40.8Very low57 Ų57129.1 Ų129.147%0.47171%0.707SS.*SBendtrans-118.8119170.600000110T593T593-A595 PolarHBondContact O-N 2.83Å
596F38.3Very low41.2Very low164 Ų164129.4 Ų129.472%0.71971%0.707SS**  trans90.385.9164.8-44.7-69.6000117.3M598 L601F596-M598 PolarHBondContact O-N 3.41Å; F596-L601 HydrophobicContact CB-CD1 4.38Å
597D39.5Very low41Very low96 Ų96127.2 Ų127.251%0.51370%0.7SS.*  trans-65.9107.6154.7176.86.4000109.6V599 T600D597-V599 PolarHBondContact O-N 3.23Å; D597-V599 VanDerWaalsContact OD1-CB 3.28Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 WeakPolarHBondContact OD1-CG2 3.34Å; D597-V599 PolarHBondContact OD1-N 2.77Å; D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 2.86Å
598M40.7Very low41.3Very low149 Ų149136.5 Ų136.573%0.73472%0.717SS**Hα-helixtrans-59-15179.3-68.7-166.7-70.200114.1F596F596-M598 PolarHBondContact O-N 3.41Å
599V42Very low40.5Very low101 Ų101138.6 Ų138.661%0.61271%0.707SS**Hα-helixtrans-74.4-31.9176-178.60000111.7D597D597-V599 PolarHBondContact O-N 3.23Å; D597-V599 VanDerWaalsContact OD1-CB 3.28Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 WeakPolarHBondContact OD1-CG2 3.34Å; D597-V599 PolarHBondContact OD1-N 2.77Å
600T43Very low40.9Very low79 Ų79141.9 Ų141.949%0.48572%0.717SS.*Hα-helixtrans-74.5-26.6176.2430000112.9D597D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 2.86Å
601L40.2Very low41Very low79 Ų79136.7 Ų136.741%0.41471%0.706SS.*Hα-helixtrans-77-23.2177.9-76.6165.6000114.2F596 F643F596-L601 HydrophobicContact CB-CD1 4.38Å; L601-F643 HydrophobicContact CD2-CE2 4.48Å
602R42.3Very low40.7Very low224 Ų224133.1 Ų133.185%0.84571%0.706SS**Hα-helixtrans-89.9-13.9179.8-77-170.6174.9-173.10.4114.8
603N42.1Very low40.3Very low92 Ų92137.5 Ų137.549%0.49271%0.711SS.*  trans-133.460.2-174.5-83.2-34.1000113.1N605N603-N605 PolarHBondContact O-N 3Å; N603-N605 VanDerWaalsContact O-N 3.09Å
604L44.3Very low40.5Very low142 Ų142142.8 Ų142.874%0.74372%0.717SS**THydrogen-bonded Turntrans-63.2-11.8175.9-91.1148.6000114.7
605N43Very low40Very low162 Ų162140.6 Ų140.687%0.86671%0.711SS**THydrogen-bonded Turntrans-97.90.5-175.9-76.7-31000115.6N603N603-N605 PolarHBondContact O-N 3Å; N603-N605 VanDerWaalsContact O-N 3.09Å
606I45.7Very low39.6Very low132 Ų132144.6 Ų144.668%0.67773%0.73SS**SBendtrans-122.124.1-171-54.3170000114.1
607I38.1Very low39.3Very low137 Ų137142.9 Ų142.970%0.70373%0.733SS**  trans-120.977.6171.5-50179.3000110
608R42.4Very low39Very low251 Ų251143.9 Ų143.995%0.94775%0.745SS**  trans-130.975.4157.3-82.8-170.5175.8-170.8-1.2108.4
609D32.7Very low38.5Very low135 Ų135144.1 Ų144.172%0.72275%0.749SS**  trans-148.9114.9152.8-145.8-11.3000109.6A611D609-A611 VanDerWaalsContact C-N 3.27Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 VanDerWaalsContact O-N 3.09Å
610P40.9Very low38Very low133 Ų133145.3 Ų145.386%0.86476%0.756SS**  trans-87.269.6-17935.5-30.9000109.2
611A43.6Very low37.6Very low78 Ų78147 Ų14765%0.64577%0.769SS**  trans-150.8119.7167.300000111.4D609D609-A611 VanDerWaalsContact C-N 3.27Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 VanDerWaalsContact O-N 3.09Å
612A35.6Very low37.1Very low99 Ų99149.6 Ų149.682%0.81879%0.788SS**  trans76.798.5163.500000117.8
613R28.9Very low36.6Very low250 Ų250147.3 Ų147.394%0.94379%0.785SS**  -153.8114.2100.4-96.6179.4-167-163.23.7108.8
614R44.3Very low35.9Very low236 Ų236152.9 Ų152.989%0.89180%0.8SS**  trans-82.8121.8159-78.4176.3172.2177.4-3.4104.9
615D31.7Very low35.2Very low156 Ų156154.6 Ų154.683%0.83481%0.805SS**  trans175.392.8143-83.4-17.1000106.8
616V32.8Very low34.5Very low141 Ų141156.9 Ų156.986%0.85580%0.802SS**  trans169.7115145.6170.70000104.8
617T31.7Very low33.6Very low129 Ų129156.5 Ų156.579%0.79181%0.807SS**  trans-82.4122.9172.3400000109.5
618P32.5Very low33.4Very low117 Ų117156.2 Ų156.276%0.7682%0.817SS**  trans-88.6114.8164.922-9.5000109.6T620P618-T620 PolarHBondContact O-N 3.45Å
619D30.5Very low32.9Very low153 Ų153148.4 Ų148.482%0.81881%0.806SS**  trans-74.197.1161.6-84.7-30.5000108.6
620T31.5Very low33.2Very low126 Ų126147.8 Ų147.877%0.77381%0.812SS**  trans172.8134.8136.229.60000110.4P618P618-T620 PolarHBondContact O-N 3.45Å
621P33.8Very low33Very low116 Ų116150.9 Ų150.975%0.75381%0.807SS**  trans-94.6114.5-17933.9-27.3000110.6
622T29.8Very low32.6Very low132 Ų132152 Ų15281%0.8181%0.808SS**  trans-118.1103.7162.139.90000110.1Y624T622-Y624 PolarHBondContact O-N 2.63Å
623F32.4Very low32.8Very low176 Ų176152 Ų15277%0.77280%0.801SS**  trans-63.6115.3166.1-100.7-102.4000109.9
624Y27.6Very low33.7Very low209 Ų209145.2 Ų145.282%0.8278%0.776SS**  trans-146.3112.6142.3-78.3-70.2000109.9T622T622-Y624 PolarHBondContact O-N 2.63Å
625Q29.7Very low33.7Very low179 Ų179143.1 Ų143.184%0.83677%0.773SS**  trans-72.3124.2161.3-81.5170-5200108.3
626Y28.1Very low34.4Very low209 Ų209140.9 Ų140.982%0.8277%0.77SS**  trans-124.8135.2153.8-88.5-78.9000111.2
627T27.5Very low35.2Very low125 Ų125138.2 Ų138.277%0.76775%0.751SS**  trans-67.2139.5-171.244.90000112.8A629T627-A629 PolarHBondContact O-N 3.46Å; T627-A629 VanDerWaalsContact O-N 3.16Å
628S33.7Very low36.2Very low131 Ų131136 Ų13692%0.91674%0.739SS**  trans-55.1106.5168.624.70000112.2
629A31.2Very low36.9Very low87 Ų87137.3 Ų137.372%0.71974%0.739SS**  trans-110.5132155.500000108.4T627 R631T627-A629 PolarHBondContact O-N 3.46Å; T627-A629 VanDerWaalsContact O-N 3.16Å; A629-R631 PolarHBondContact O-N 2.85Å
630S39.4Very low37.8Very low122 Ų122135.5 Ų135.585%0.85373%0.73SS**  trans-45.5115.3-172.952.30000114.5
631R37.7Very low38.6Very low198 Ų198131 Ų13175%0.74770%0.702SS**  trans-82.5135.4164.5-80.9-179.1162.5171.9-8.3110.1A629 E649A629-R631 PolarHBondContact O-N 2.85Å; R631-E649 IonicContact CZ-OE1 2.74Å; R631-E649 IonicContact NH2-OE1 3.45Å; R631-E649 PolarHBondContact NH2-OE1 2.8Å
632P34.7Very low39.4Very low102 Ų102127.8 Ų127.866%0.66268%0.68SS**  trans-70.3143.2174.828.7-31000110.6Y634P632-Y634 PolarHBondContact O-N 3.17Å
633S40.3Very low40.1Very low97 Ų97127.1 Ų127.168%0.67867%0.666SS**  trans-70.3107.4176.5171.40000110K635S633-K635 PolarHBondContact O-N 3.35Å
634Y47.7Very low40.9Very low108 Ų108126 Ų12642%0.42466%0.657SS.*  trans-67.980.8167.9-78.9-81.3000110.4P632 L637 V642 E645P632-Y634 PolarHBondContact O-N 3.17Å; Y634-L637 HydrophobicContact CD1-CD1 4.04Å; Y634-L637 HydrophobicContact CE1-CD1 3.84Å; Y634-V642 HydrophobicContact CD1-CG1 4.49Å; Y634-V642 HydrophobicContact CD1-CG2 3.9Å; Y634-V642 HydrophobicContact CE1-CG2 4.47Å; Y634-E645 PolarHBondContact OH-OE2 2.82Å
635K43.9Very low42Very low192 Ų192120.7 Ų120.784%0.83564%0.639SS**SBendtrans-125.75.1172-102.1-169.7175.9-1720113.6S633S633-K635 PolarHBondContact O-N 3.35Å
636S46.9Very low43Very low110 Ų110116.6 Ų116.677%0.76962%0.619SS**SBendtrans-141.625.5-174.271.60000114.9
637L49Very low43.8Very low85 Ų85110.4 Ų110.445%0.44560%0.599SS.*SBendtrans-124.8140175.4-75.7161.5000109.9Y634 V641 V642Y634-L637 HydrophobicContact CD1-CD1 4.04Å; Y634-L637 HydrophobicContact CE1-CD1 3.84Å; L637-V641 HydrophobicContact CD2-CG1 4.33Å; L637-V642 HydrophobicContact CB-CG2 4.34Å
638P51.5Low45Very low82 Ų82113.5 Ų113.553%0.53260%0.597SS.*  trans-63.4146.7179.123.9-30.4000111.6N640 V641P638-N640 WeakPolarHBondContact CB-OD1 3.3Å; P638-N640 PolarHBondContact O-N 3.07Å; P638-N640 PolarHBondContact O-OD1 3.07Å; P638-V641 HydrophobicContact CG-CG2 3.98Å; P638-V641 WeakPolarHBondContact O-CB 3.41Å; P638-V641 PolarHBondContact O-N 3.15Å
639D48.8Very low45.7Very low144 Ų144111.8 Ų111.877%0.7757%0.574SS**Hα-helixtrans-54.5-31.3-166.2-71-28.7000114.4V641 V642 F643D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 3.18Å; D639-V642 PolarHBondContact O-N 3.36Å; D639-F643 PolarHBondContact O-N 3.05Å; D639-F643 VanDerWaalsContact O-N 3.14Å
640N49.2Very low46.6Very low116 Ų116115 Ų11562%0.6257%0.568SS**Hα-helixtrans-66.4-27.517655.3-8.6000113.9P638 R644P638-N640 WeakPolarHBondContact CB-OD1 3.3Å; P638-N640 PolarHBondContact O-N 3.07Å; P638-N640 PolarHBondContact O-OD1 3.07Å; N640-R644 PolarHBondContact O-N 3.46Å
641V47.2Very low47.2Very low32 Ų32113.7 Ų113.719%0.19455%0.551CS.*Hα-helixtrans-81.6-36.7178.2-178.70000111.1L637 P638 D639 R644 E645L637-V641 HydrophobicContact CD2-CG1 4.33Å; P638-V641 HydrophobicContact CG-CG2 3.98Å; P638-V641 WeakPolarHBondContact O-CB 3.41Å; P638-V641 PolarHBondContact O-N 3.15Å; D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 3.18Å; V641-R644 PolarHBondContact O-N 3.1Å; V641-E645 PolarHBondContact O-N 3.16Å; V641-E645 VanDerWaalsContact O-N 3.08Å
642V51.3Low47.9Very low48 Ų48111.3 Ų111.329%0.29155%0.546SS..Hα-helixtrans-65.8-41.1176.5-176.90000110.7Y634 L637 D639 E645 F646Y634-V642 HydrophobicContact CD1-CG1 4.49Å; Y634-V642 HydrophobicContact CD1-CG2 3.9Å; Y634-V642 HydrophobicContact CE1-CG2 4.47Å; L637-V642 HydrophobicContact CB-CG2 4.34Å; D639-V642 PolarHBondContact O-N 3.36Å; V642-E645 PolarHBondContact O-N 3.46Å; V642-F646 WeakPolarHBondContact O-CB 3.45Å; V642-F646 PolarHBondContact O-N 3.39Å
643F44.9Very low48.6Very low118 Ų118110.8 Ų110.852%0.51854%0.537SS..Hα-helixtrans-63.3-42.7177.1-164.2-97.8000112.1L601 D639 F646 I647L601-F643 HydrophobicContact CD2-CE2 4.48Å; D639-F643 PolarHBondContact O-N 3.05Å; D639-F643 VanDerWaalsContact O-N 3.14Å; F643-F646 PolarHBondContact O-N 2.89Å; F643-I647 HydrophobicContact CD1-CG1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 4.17Å; F643-I647 HydrophobicContact CE1-CG1 4.15Å; F643-I647 HydrophobicContact CZ-CD1 4.47Å; F643-I647 WeakPolarHBondContact O-CG1 3.35Å; F643-I647 PolarHBondContact O-N 2.96Å; F643-I647 VanDerWaalsContact O-N 3.11Å
644R48.1Very low49.1Very low153 Ų153108.8 Ų108.858%0.57753%0.527SS*.Hα-helixtrans-65.2-41.4177.8-169.9178.669.2-163.61.1112.6N640 V641 W648N640-R644 PolarHBondContact O-N 3.46Å; V641-R644 PolarHBondContact O-N 3.1Å; R644-W648 WeakPolarHBondContact O-CB 3.31Å; R644-W648 PolarHBondContact O-N 2.86Å; R644-W648 VanDerWaalsContact O-N 3.1Å
645E50.8Low49.1Very low96 Ų96108 Ų10845%0.44953%0.53SS..Hα-helixtrans-67.2-39176.9-76.2-122176.800112.1Y634 V641 V642 W648 E649Y634-E645 PolarHBondContact OH-OE2 2.82Å; V641-E645 PolarHBondContact O-N 3.16Å; V641-E645 VanDerWaalsContact O-N 3.08Å; V642-E645 PolarHBondContact O-N 3.46Å; E645-W648 PolarHBondContact O-N 3.12Å; E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 PolarHBondContact O-N 2.81Å
646F50.6Low49.3Very low94 Ų94104.2 Ų104.241%0.41252%0.523SS..Hα-helixtrans-61.7-44.4175.7177.3-96.9000112.6V642 F643 W648 E649 R650V642-F646 WeakPolarHBondContact O-CB 3.45Å; V642-F646 PolarHBondContact O-N 3.39Å; F643-F646 PolarHBondContact O-N 2.89Å; F646-W648 VanDerWaalsContact C-N 3.35Å; F646-E649 PolarHBondContact O-N 3.06Å; F646-R650 HydrophobicContact CE1-CG 4.43Å; F646-R650 HydrophobicContact CZ-CG 4.33Å; F646-R650 WeakPolarHBondContact O-CG 3.25Å; F646-R650 PolarHBondContact O-N 3.03Å
647I46.1Very low49.3Very low78 Ų78102.7 Ų102.740%0.451%0.506SS..Hα-helixtrans-61.6-45.2175.5-63.6-88.3000110.1F643 R650 L651F643-I647 HydrophobicContact CD1-CG1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 4.17Å; F643-I647 HydrophobicContact CE1-CG1 4.15Å; F643-I647 HydrophobicContact CZ-CD1 4.47Å; F643-I647 WeakPolarHBondContact O-CG1 3.35Å; F643-I647 PolarHBondContact O-N 2.96Å; F643-I647 VanDerWaalsContact O-N 3.11Å; I647-R650 PolarHBondContact O-N 3.38Å; I647-L651 HydrophobicContact CG2-CD1 4.44Å; I647-L651 PolarHBondContact O-N 3.32Å
648W51.1Low49.2Very low191 Ų191104.7 Ų104.772%0.72352%0.524SS*.Hα-helixtrans-65.6-39.2-179.8-99.478.2000113.6R644 E645 F646 R650 K652R644-W648 WeakPolarHBondContact O-CB 3.31Å; R644-W648 PolarHBondContact O-N 2.86Å; R644-W648 VanDerWaalsContact O-N 3.1Å; E645-W648 PolarHBondContact O-N 3.12Å; F646-W648 VanDerWaalsContact C-N 3.35Å; W648-R650 VanDerWaalsContact C-N 3.33Å; W648-K652 WeakPolarHBondContact O-CB 3.37Å; W648-K652 PolarHBondContact O-N 2.99Å; W648-K652 VanDerWaalsContact O-N 3.11Å
649E49.5Very low48.8Very low95 Ų95106.6 Ų106.644%0.44453%0.534SS..Hα-helixtrans-66-38.4177.3-149.7-177.917900110.4R631 E645 F646 K652 D653R631-E649 IonicContact CZ-OE1 2.74Å; R631-E649 IonicContact NH2-OE1 3.45Å; R631-E649 PolarHBondContact NH2-OE1 2.8Å; E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 PolarHBondContact O-N 2.81Å; F646-E649 PolarHBondContact O-N 3.06Å; E649-K652 PolarHBondContact O-N 3.42Å; E649-D653 PolarHBondContact O-N 2.85Å
650R50.6Low48.6Very low154 Ų154101.7 Ų101.758%0.58151%0.514SS*.Hα-helixtrans-73.8-35.9177.4-69.7-62.8-170.3167.93.9114.2F646 I647 W648 K652 D653 A654F646-R650 HydrophobicContact CE1-CG 4.43Å; F646-R650 HydrophobicContact CZ-CG 4.33Å; F646-R650 WeakPolarHBondContact O-CG 3.25Å; F646-R650 PolarHBondContact O-N 3.03Å; I647-R650 PolarHBondContact O-N 3.38Å; W648-R650 VanDerWaalsContact C-N 3.33Å; R650-K652 VanDerWaalsContact C-N 3.26Å; R650-K652 PolarHBondContact O-N 2.91Å; R650-D653 PolarHBondContact O-N 3.39Å; R650-A654 PolarHBondContact O-N 3.39Å
651L51.8Low48.4Very low94 Ų94101.3 Ų101.349%0.49252%0.518SS..Hα-helixtrans-61.6-40.9172-132.8108000110.6I647 A654 D655I647-L651 HydrophobicContact CG2-CD1 4.44Å; I647-L651 PolarHBondContact O-N 3.32Å; L651-A654 PolarHBondContact O-N 2.83Å; L651-D655 PolarHBondContact O-N 3.24Å
652K51.3Low48Very low148 Ų148104.5 Ų104.564%0.64354%0.539SS*.Hα-helixtrans-66.5-39.1177.8-167178.5-178.6-178.60112.1W648 E649 R650 D655 V656W648-K652 WeakPolarHBondContact O-CB 3.37Å; W648-K652 PolarHBondContact O-N 2.99Å; W648-K652 VanDerWaalsContact O-N 3.11Å; E649-K652 PolarHBondContact O-N 3.42Å; R650-K652 VanDerWaalsContact C-N 3.26Å; R650-K652 PolarHBondContact O-N 2.91Å; K652-D655 PolarHBondContact O-N 3.18Å; K652-V656 WeakPolarHBondContact O-CG2 3.38Å; K652-V656 PolarHBondContact O-N 2.89Å
653D49.8Very low47.6Very low91 Ų91111.4 Ų111.449%0.48756%0.561SS.*Hα-helixtrans-65.8-39175.1-74.4-16.2000112E649 R650 D655 V656 D657E649-D653 PolarHBondContact O-N 2.85Å; R650-D653 PolarHBondContact O-N 3.39Å; D653-D655 VanDerWaalsContact C-N 3.33Å; D653-D655 PolarHBondContact O-N 2.92Å; D653-V656 PolarHBondContact O-N 2.77Å; D653-D657 PolarHBondContact O-N 3.04Å
654A50.3Low47.3Very low55 Ų55112 Ų11246%0.45557%0.57SS.*Hα-helixtrans-65.3-3517500000112.5R650 L651 V656 D657R650-A654 PolarHBondContact O-N 3.39Å; L651-A654 PolarHBondContact O-N 2.83Å; A654-V656 PolarHBondContact O-N 3.13Å; A654-D657 PolarHBondContact O-N 3.35Å
655D48.2Very low46.8Very low92 Ų92109 Ų10949%0.49257%0.572SS.*THydrogen-bonded Turntrans-68.4-17.6176.2-96-24.9000114.2L651 K652 D653 R704L651-D655 PolarHBondContact O-N 3.24Å; K652-D655 PolarHBondContact O-N 3.18Å; D653-D655 VanDerWaalsContact C-N 3.33Å; D653-D655 PolarHBondContact O-N 2.92Å; D655-R704 IonicContact OD1-CZ 3.49Å; D655-R704 VanDerWaalsContact OD1-CZ 3.27Å; D655-R704 IonicContact OD1-NH1 3.19Å; D655-R704 PolarHBondContact OD1-NH1 2.81Å; D655-R704 IonicContact OD1-NH2 3.46Å; D655-R704 PolarHBondContact OD1-NH2 2.95Å
656V49.1Very low46Very low113 Ų113112 Ų11269%0.68559%0.591SS**THydrogen-bonded Turntrans-101.5-4176.2-140.50000112.7K652 D653 A654 P658K652-V656 WeakPolarHBondContact O-CG2 3.38Å; K652-V656 PolarHBondContact O-N 2.89Å; D653-V656 PolarHBondContact O-N 2.77Å; A654-V656 PolarHBondContact O-N 3.13Å; V656-P658 VanDerWaalsContact O-CD 3.28Å; V656-P658 WeakPolarHBondContact O-CD 3.26Å
657D47Very low45.3Very low77 Ų77114.3 Ų114.341%0.41260%0.603SS.*  trans-82111.1178.5-171.9-16000110.7D653 A654 T659 A660D653-D657 PolarHBondContact O-N 3.04Å; A654-D657 PolarHBondContact O-N 3.35Å; D657-T659 PolarHBondContact O-N 3.3Å; D657-T659 VanDerWaalsContact O-N 3.17Å; D657-T659 WeakPolarHBondContact OD1-CB 3.48Å; D657-T659 PolarHBondContact OD1-N 2.8Å; D657-T659 PolarHBondContact OD1-OG1 2.92Å; D657-T659 PolarHBondContact OD2-OG1 2.95Å; D657-A660 HydrophobicContact CB-CB 4.19Å; D657-A660 PolarHBondContact O-N 3.09Å
658P45.4Very low44.9Very low128 Ų128116.2 Ų116.283%0.83162%0.618SS**THydrogen-bonded Turntrans-72-5.7-17931.1-35000113.7V656V656-P658 VanDerWaalsContact O-CD 3.28Å; V656-P658 WeakPolarHBondContact O-CD 3.26Å
659T42.9Very low44.1Very low121 Ų121118.3 Ų118.374%0.74263%0.627SS**THydrogen-bonded Turntrans-99.6-7.3176.4660000113.6D657D657-T659 PolarHBondContact O-N 3.3Å; D657-T659 VanDerWaalsContact O-N 3.17Å; D657-T659 WeakPolarHBondContact OD1-CB 3.48Å; D657-T659 PolarHBondContact OD1-N 2.8Å; D657-T659 PolarHBondContact OD1-OG1 2.92Å; D657-T659 PolarHBondContact OD2-OG1 2.95Å
660A46.5Very low43.3Very low42 Ų42118.2 Ų118.235%0.34764%0.643SS.*SBendtrans-69.8140.4176.700000111.5D657D657-A660 HydrophobicContact CB-CB 4.19Å; D657-A660 PolarHBondContact O-N 3.09Å
661P43.9Very low42.6Very low108 Ų108120.7 Ų120.770%0.70166%0.658SS**  trans-61.8144.5178.723.4-30.6000111.1Y663P661-Y663 PolarHBondContact O-N 2.79Å
662P39.5Very low41.7Very low98 Ų98125.5 Ų125.564%0.63668%0.678SS**SBendtrans-72.4-2.2-164.525.1-32.9000115.9
663Y42.8Very low40.8Very low194 Ų194121.3 Ų121.376%0.76168%0.677SS**SBendtrans-139.4125.6179.9-53.5-73.8000109P661 S665P661-Y663 PolarHBondContact O-N 2.79Å; Y663-S665 PolarHBondContact O-N 2.82Å
664D38.2Very low40Very low131 Ų131123.4 Ų123.470%0.70170%0.699SS**  trans-60.2117.8163.5-91.3-26.8000107.6L666D664-L666 PolarHBondContact O-N 3.2Å
665S37.1Very low39.5Very low88 Ų88124.4 Ų124.462%0.61572%0.715SS**  trans-67102.6164.146.30000106.9Y663 Q667Y663-S665 PolarHBondContact O-N 2.82Å; S665-Q667 PolarHBondContact O-N 2.93Å
666L34.4Very low38.7Very low161 Ų161124.9 Ų124.984%0.84373%0.725SS**  trans-66.444.7165-100.1158.6000110.9D664D664-L666 PolarHBondContact O-N 3.2Å
667Q35.9Very low38.1Very low142 Ų142126.9 Ų126.966%0.66474%0.737SS**  trans-124.538.9-169.8-150.7166800110.9S665S665-Q667 PolarHBondContact O-N 2.93Å
668T36.8Very low37.6Very low117 Ų117127 Ų12772%0.71875%0.748SS**SBendtrans-141.225.8168-29.80000112.9
669Y34.2Very low36.9Very low235 Ų235129.2 Ų129.292%0.92275%0.748SS**SBendtrans-14459.5166.5-78.2-76.5000111.3
670A34.4Very low36.5Very low93 Ų93127.2 Ų127.277%0.76974%0.739SS**SBendtrans-156.2132.9153.600000106.8
671F35.7Very low35.7Very low207 Ų207134 Ų13491%0.90877%0.768SS**  trans84.680.1173.3-113.9-95.5000117
672E31.5Very low35.3Very low194 Ų194133.9 Ų133.991%0.90777%0.77SS**  trans-122.7132.7143.4-78-170.2167.200108.9
673G33.7Very low35.1Very low60 Ų60132.5 Ų132.562%0.61976%0.762SS**  trans-71.4-171.7-167.400000115.4G675G673-G675 PolarHBondContact O-N 3Å; G673-G675 VanDerWaalsContact O-N 3.12Å
674S32.3Very low34.4Very low136 Ų136130.6 Ų130.695%0.95177%0.765SS**SBendtrans-47.3110.6-175.843.60000113.6
675G41Very low34.2Very low76 Ų76132.8 Ų132.878%0.78477%0.771SS**  trans159.4-7.3174.700000116.9G673G673-G675 PolarHBondContact O-N 3Å; G673-G675 VanDerWaalsContact O-N 3.12Å
676S30.2Very low33.9Very low101 Ų101133.3 Ų133.371%0.70677%0.774SS**  trans-92.3140.9-179.4-168.30000113.1A678S676-A678 VanDerWaalsContact C-N 3.29Å; S676-A678 PolarHBondContact O-N 2.66Å
677V37.3Very low34.1Very low156 Ų156133.7 Ų133.795%0.94578%0.776SS**SBendtrans-90.115.9-175.4-1500000112.7
678A35.6Very low33.8Very low78 Ų78132.6 Ų132.665%0.64579%0.785SS**SBendtrans-114.2124.1176.700000109.7S676S676-A678 VanDerWaalsContact C-N 3.29Å; S676-A678 PolarHBondContact O-N 2.66Å
679E31.4Very low33.9Very low176 Ų176133.4 Ų133.482%0.82279%0.789SS**  trans-59.3139.9179-68.8177.6154.900112.1
680S34.4Very low33.9Very low79 Ų79129.3 Ų129.355%0.55278%0.783SS**  trans-79.1140.6173.9173.70000110.7S682 S683S680-S682 PolarHBondContact O-N 3.25Å; S680-S682 PolarHBondContact OG-OG 3.38Å; S680-S683 PolarHBondContact O-N 3.05Å; S680-S683 PolarHBondContact O-OG 3.07Å
681L29.7Very low34.4Very low184 Ų184129.4 Ų129.496%0.96378%0.778SS**THydrogen-bonded Turntrans-65.817.8175.2-84.6164.2000115
682S34.2Very low34.7Very low105 Ų105126.4 Ų126.473%0.73477%0.772SS**THydrogen-bonded Turntrans-95.21.5169.948.20000113.1S680S680-S682 PolarHBondContact O-N 3.25Å; S680-S682 PolarHBondContact OG-OG 3.38Å
683S36.2Very low35.4Very low69 Ų69124.2 Ų124.248%0.48376%0.762SS.*SBendtrans-129.787.7174.453.70000110.1S680S680-S683 PolarHBondContact O-N 3.05Å; S680-S683 PolarHBondContact O-OG 3.07Å
684L28.1Very low36Very low155 Ų155126.5 Ų126.581%0.81276%0.76SS**SBendtrans-172.6114.4149.6-96.4156.5000108.8
685E33.3Very low37Very low176 Ų176123 Ų12382%0.82273%0.726SS**  trans7378.5168.3-55.8-172.8168.300117.2
686S31.3Very low37.5Very low99 Ų99123.6 Ų123.669%0.69271%0.711SS**  69.5123.489.281.20000117.1
687L38Very low38.7Very low169 Ų169124.4 Ų124.489%0.88570%0.7SS**  trans59.286.7141-64.3158.3000117.6
688S30.7Very low39.3Very low120 Ų120117.9 Ų117.984%0.83966%0.659SS**  trans-162.9136.513847.40000111.8
689T38.3Very low40.3Very low133 Ų133117.3 Ų117.382%0.81665%0.651SS**  trans-71.1141.116243.80000109.8
690D35.5Very low41.1Very low149 Ų149115.4 Ų115.480%0.79765%0.646SS**SBendtrans67.3125.7167-76.1-25.6000119.6
691S43.5Very low41.7Very low95 Ų95119.4 Ų119.466%0.66465%0.649SS**  trans34.8105.3149.461.30000118.8
692D43.4Very low42.6Very low144 Ų144111.9 Ų111.977%0.7762%0.617SS**  161.486.2123-77.1-16.9000110
693Q44.5Very low43.2Very low148 Ų148112.9 Ų112.969%0.69262%0.62SS**  trans-85.3114.6165.3-67.7-165800108.4Y695Q693-Y695 HydrophobicContact CB-CD2 4.45Å; Q693-Y695 HydrophobicContact CB-CE1 4.34Å; Q693-Y695 HydrophobicContact CB-CE2 3.65Å; Q693-Y695 WeakPolarHBondContact CB-OH 3.12Å; Q693-Y695 WeakPolarHBondContact O-CD2 3.07Å; Q693-Y695 VanDerWaalsContact O-CE2 3.26Å; Q693-Y695 WeakPolarHBondContact O-CE2 3.43Å; Q693-Y695 PolarHBondContact OE1-OH 2.92Å
694N47Very low43.6Very low108 Ų108117.5 Ų117.558%0.57863%0.627SS**  trans-87.1120.6178.3-174.6-16.3000110.6D696N694-D696 PolarHBondContact ND2-OD2 2.92Å; N694-D696 VanDerWaalsContact ND2-OD2 3.07Å; N694-D696 VanDerWaalsContact OD1-CB 3.25Å; N694-D696 WeakPolarHBondContact OD1-CB 3.22Å; N694-D696 PolarHBondContact OD1-N 3.11Å; N694-D696 PolarHBondContact OD1-OD1 3.28Å; N694-D696 PolarHBondContact OD1-OD2 3.41Å
695Y52.8Low44.5Very low64 Ų64113.7 Ų113.725%0.25160%0.604SS.*  trans-107.315.9-176.8-59.7-78.6000114.4Q693 Y697 L698 Y712Q693-Y695 HydrophobicContact CB-CD2 4.45Å; Q693-Y695 HydrophobicContact CB-CE1 4.34Å; Q693-Y695 HydrophobicContact CB-CE2 3.65Å; Q693-Y695 WeakPolarHBondContact CB-OH 3.12Å; Q693-Y695 WeakPolarHBondContact O-CD2 3.07Å; Q693-Y695 VanDerWaalsContact O-CE2 3.26Å; Q693-Y695 WeakPolarHBondContact O-CE2 3.43Å; Q693-Y695 PolarHBondContact OE1-OH 2.92Å; Y695-Y697 HydrophobicContact CD1-CE1 4.49Å; Y695-Y697 PolarHBondContact O-N 2.71Å; Y695-L698 WeakPolarHBondContact O-CB 3.43Å; Y695-L698 PolarHBondContact O-N 2.89Å; Y695-L698 VanDerWaalsContact O-N 3.16Å; Y695-Y712 HydrophobicContact CD2-CD1 4.3Å; Y695-Y712 HydrophobicContact CD2-CG 4.27Å; Y695-Y712 HydrophobicContact CE2-CD1 4.14Å
696D52.5Low45.4Very low87 Ų87111.4 Ų111.447%0.46559%0.592SS.*G310 helixtrans-58-21.7-177.4-72.7-23.2000114N694 L698 S699N694-D696 PolarHBondContact ND2-OD2 2.92Å; N694-D696 VanDerWaalsContact ND2-OD2 3.07Å; N694-D696 VanDerWaalsContact OD1-CB 3.25Å; N694-D696 WeakPolarHBondContact OD1-CB 3.22Å; N694-D696 PolarHBondContact OD1-N 3.11Å; N694-D696 PolarHBondContact OD1-OD1 3.28Å; N694-D696 PolarHBondContact OD1-OD2 3.41Å; D696-L698 PolarHBondContact O-N 3.09Å; D696-S699 PolarHBondContact O-OG 3.23Å
697Y54.5Low46.2Very low119 Ų119114.9 Ų114.947%0.46759%0.594SS.*G310 helixtrans-70.2-18.9-179.465.2-90.7000113.7Y695 S699 N700 W701Y695-Y697 HydrophobicContact CD1-CE1 4.49Å; Y695-Y697 PolarHBondContact O-N 2.71Å; Y697-S699 PolarHBondContact O-N 2.76Å; Y697-N700 WeakPolarHBondContact O-CB 3.25Å; Y697-N700 PolarHBondContact O-N 2.72Å; Y697-W701 HydrophobicContact CD2-CZ2 4.39Å; Y697-W701 HydrophobicContact CE2-CZ2 4.41Å
698L49.9Very low46.7Very low18 Ų18111.2 Ų111.29%0.09458%0.575CS.*G310 helixtrans-65.7-24.3-179.7-68.8173.1000112.8Y695 D696 N700 W701 L708 A709Y695-L698 WeakPolarHBondContact O-CB 3.43Å; Y695-L698 PolarHBondContact O-N 2.89Å; Y695-L698 VanDerWaalsContact O-N 3.16Å; D696-L698 PolarHBondContact O-N 3.09Å; L698-N700 PolarHBondContact O-N 3.42Å; L698-W701 PolarHBondContact O-N 2.97Å; L698-L708 HydrophobicContact CD1-CD2 4.22Å; L698-A709 HydrophobicContact CB-CB 3.79Å
699S56.2Low48Very low67 Ų67105.9 Ų105.947%0.46954%0.538SS..G310 helixtrans-68.9-20.717762.90000113.1D696 Y697 W701D696-S699 PolarHBondContact O-OG 3.23Å; Y697-S699 PolarHBondContact O-N 2.76Å; S699-W701 VanDerWaalsContact C-N 3.3Å
700N49.9Very low48.9Very low136 Ų136104.8 Ų104.873%0.72753%0.527SS*.G310 helixtrans-82.9-8.3-177.8-63.6-28.9000113Y697 L698 G702Y697-N700 WeakPolarHBondContact O-CB 3.25Å; Y697-N700 PolarHBondContact O-N 2.72Å; L698-N700 PolarHBondContact O-N 3.42Å; N700-G702 VanDerWaalsContact C-N 3.29Å; N700-G702 PolarHBondContact O-N 3.43Å
701W46.8Very low49.6Very low162 Ų162103.6 Ų103.661%0.61452%0.52SS*.G310 helixtrans-91.27.6-174.7-68.618.9000113.1Y697 L698 S699 F705Y697-W701 HydrophobicContact CD2-CZ2 4.39Å; Y697-W701 HydrophobicContact CE2-CZ2 4.41Å; L698-W701 PolarHBondContact O-N 2.97Å; S699-W701 VanDerWaalsContact C-N 3.3Å; W701-F705 HydrophobicContact CB-CB 4.35Å; W701-F705 HydrophobicContact CB-CD2 3.82Å; W701-F705 HydrophobicContact CB-CE2 4.43Å; W701-F705 HydrophobicContact CB-CG 4.17Å; W701-F705 WeakPolarHBondContact O-CD2 3.26Å
702G48.6Very low50Low27 Ų27105.3 Ų105.328%0.27851%0.513SS..  trans102173.4171.900000114N700 R704 F705N700-G702 VanDerWaalsContact C-N 3.29Å; N700-G702 PolarHBondContact O-N 3.43Å; G702-R704 PolarHBondContact O-N 3.42Å; G702-F705 PolarHBondContact O-N 2.81Å; G702-F705 VanDerWaalsContact O-N 3.08Å
703P46.8Very low50.3Low125 Ų12599.6 Ų99.681%0.81249%0.489SS*.THydrogen-bonded Turntrans-64.3-18.3-164.720.7-31.1000115
704R44.2Very low50.2Low166 Ų16699.5 Ų99.563%0.62649%0.493SS*.THydrogen-bonded Turntrans-75.1-24.5176.4-69-167.7-176.4169.811.5113.5D655 G702D655-R704 IonicContact OD1-CZ 3.49Å; D655-R704 VanDerWaalsContact OD1-CZ 3.27Å; D655-R704 IonicContact OD1-NH1 3.19Å; D655-R704 PolarHBondContact OD1-NH1 2.81Å; D655-R704 IonicContact OD1-NH2 3.46Å; D655-R704 PolarHBondContact OD1-NH2 2.95Å; G702-R704 PolarHBondContact O-N 3.42Å
705F47.3Very low50.2Low75 Ų7598.9 Ų98.933%0.32950%0.497SS..THydrogen-bonded Turntrans-96.6-6.8-179.2-63.8-81.6000113.7W701 G702 K707 L708 A709W701-F705 HydrophobicContact CB-CB 4.35Å; W701-F705 HydrophobicContact CB-CD2 3.82Å; W701-F705 HydrophobicContact CB-CE2 4.43Å; W701-F705 HydrophobicContact CB-CG 4.17Å; W701-F705 WeakPolarHBondContact O-CD2 3.26Å; G702-F705 PolarHBondContact O-N 2.81Å; G702-F705 VanDerWaalsContact O-N 3.08Å; F705-K707 VanDerWaalsContact C-N 3.26Å; F705-K707 PolarHBondContact O-N 3.29Å; F705-L708 WeakPolarHBondContact O-CB 3.4Å; F705-L708 PolarHBondContact O-N 2.98Å; F705-A709 PolarHBondContact O-N 2.78Å
706K51.5Low49.8Very low129 Ų129103 Ų10356%0.56152%0.523SS*.Hα-helixtrans-54.1-40.9-178.5-169.8175-177.9178.60112.9L708 A709 D710K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 3.08Å; K706-A709 PolarHBondContact O-N 3.39Å; K706-D710 WeakPolarHBondContact O-CB 3.42Å; K706-D710 PolarHBondContact O-N 3.35Å
707K48.8Very low48.9Very low172 Ų172104.1 Ų104.175%0.74854%0.538SS*.Hα-helixtrans-72.2-23.2-178.7-143.9-179.2-174.6-173.30113.4F705F705-K707 VanDerWaalsContact C-N 3.26Å; F705-K707 PolarHBondContact O-N 3.29Å
708L48.1Very low47.9Very low92 Ų92103.6 Ų103.648%0.48255%0.547SS..Hα-helixtrans-81.5-41.4174.8-142.890.2000110.2L698 F705 K706 D710 L711 Y712L698-L708 HydrophobicContact CD1-CD2 4.22Å; F705-L708 WeakPolarHBondContact O-CB 3.4Å; F705-L708 PolarHBondContact O-N 2.98Å; K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 3.08Å; L708-D710 VanDerWaalsContact C-N 3.34Å; L708-L711 WeakPolarHBondContact O-CB 3.4Å; L708-L711 PolarHBondContact O-N 3.46Å; L708-L711 VanDerWaalsContact O-N 3.15Å; L708-Y712 WeakPolarHBondContact O-CD2 3.2Å; L708-Y712 PolarHBondContact O-N 2.83Å
709A57Low47.2Very low8 Ų8113.6 Ų113.67%0.06659%0.59CS.*Hα-helixtrans-59.5-43.8172.400000111.5L698 F705 K706 L711 Y712 G713L698-A709 HydrophobicContact CB-CB 3.79Å; F705-A709 PolarHBondContact O-N 2.78Å; K706-A709 PolarHBondContact O-N 3.39Å; A709-L711 PolarHBondContact O-N 2.91Å; A709-Y712 PolarHBondContact O-N 3.39Å; A709-G713 WeakPolarHBondContact O-CA 3.37Å; A709-G713 PolarHBondContact O-N 3.1Å
710D57.9Low46Very low110 Ų110118.7 Ų118.759%0.58863%0.626SS**Hα-helixtrans-64.4-24.7176.8-66.4-20.7000112.9K706 L708K706-D710 WeakPolarHBondContact O-CB 3.42Å; K706-D710 PolarHBondContact O-N 3.35Å; L708-D710 VanDerWaalsContact C-N 3.34Å
711L50.5Low45.8Very low123 Ų123117.8 Ų117.864%0.64462%0.62SS**Hα-helixtrans-84-25-175.8-139.9129.2000113.1L708 A709L708-L711 WeakPolarHBondContact O-CB 3.4Å; L708-L711 PolarHBondContact O-N 3.46Å; L708-L711 VanDerWaalsContact O-N 3.15Å; A709-L711 PolarHBondContact O-N 2.91Å
712Y51.4Low45.8Very low131 Ų131115.5 Ų115.551%0.51462%0.621SS.*Hα-helixtrans-119.5-9.7-175.9-72.7-79.9000113.7Y695 L708 A709Y695-Y712 HydrophobicContact CD2-CD1 4.3Å; Y695-Y712 HydrophobicContact CD2-CG 4.27Å; Y695-Y712 HydrophobicContact CE2-CD1 4.14Å; L708-Y712 WeakPolarHBondContact O-CD2 3.2Å; L708-Y712 PolarHBondContact O-N 2.83Å; A709-Y712 PolarHBondContact O-N 3.39Å
713G50.1Low45.6Very low25 Ų25120.4 Ų120.426%0.25864%0.64SS.*SBendtrans-96.513.1-174.500000116A709A709-G713 WeakPolarHBondContact O-CA 3.37Å; A709-G713 PolarHBondContact O-N 3.1Å
714N43.1Very low45.5Very low146 Ų146120.1 Ų120.178%0.78163%0.63SS**  trans-141.180.1-177.3-126.513.6000112.8
715S46.6Very low45.6Very low95 Ų95117.3 Ų117.366%0.66463%0.63SS**  trans-118.371.4160.759.20000109.2
716D43.3Very low45.5Very low149 Ų149120.1 Ų120.180%0.79765%0.65SS**  trans-164.9128.5152.1-100.5-23.5000112.3
717S34.3Very low45.1Very low112 Ų112119.4 Ų119.478%0.78366%0.656SS**  trans72.1123.1176.978.50000115.2
718V34.2Very low44.8Very low108 Ų108115.4 Ų115.466%0.65565%0.649SS**  -160.5115.252.71710000110S720V718-S720 WeakPolarHBondContact CG1-O 3.16Å
719F35.7Very low44.5Very low228 Ų228117.3 Ų117.3100%166%0.663SS**  trans-97.2102.9137.6-100.6-79.2000106.7
720S30.3Very low43.4Very low173 Ų173127.3 Ų127.3100%1.2172%0.718SS**  trans-173.10150.4560000108.8V718V718-S720 WeakPolarHBondContact CG1-O 3.16Å

Retrieved 720 of 720 residues in 134.1 ms (Link to these results)