A0A5K4EKN5_SCHMA Loading...

Replication protein A subunit

As part of the heterotrimeric replication protein A complex (RPA/RP-A), binds and stabilizes single-stranded DNA intermediates, that form during DNA replication or upon DNA stress. It prevents their reannealing and in parallel, recruits and activates different proteins and complexes involved in DNA metabolism. Thereby, it plays an essential role both in DNA replication and the cellular response to DNA damage.

AlphaFold DB , UniProt , Accession A0A5K4EKN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 555 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
1M85.5Confident88.6Confident162 Ų16279.5 Ų79.580%0.79841%0.407SS*.  0136.50-165.9175.1-160.900108.1L38 I39 V40M1-L38 PolarHBondContact N-O 2.93Å; M1-I39 CarbonylContact O-C 3.54Å; M1-I39 WeakPolarHBondContact O-CA 3.44Å; M1-V40 PolarHBondContact O-N 2.91Å
2L88.1Confident88.7Confident42 Ų4281.3 Ų81.322%0.2241%0.412CS..BIsolated β-bridgetrans-85.1139.5171.1-81.5131.3000109.4L6 I10 L15 L43L2-L6 HydrophobicContact CB-CB 4.42Å; L2-L6 HydrophobicContact CD2-CB 3.47Å; L2-L6 VanDerWaalsContact CD2-CB 3.47Å; L2-L6 HydrophobicContact CD2-CD1 3.68Å; L2-L6 HydrophobicContact CD2-CG 4.24Å; L2-I10 HydrophobicContact CD1-CD1 3.92Å; L2-I10 HydrophobicContact CD1-CG1 4.4Å; L2-L15 HydrophobicContact CD1-CD2 3.86Å; L2-L43 HydrophobicContact CD2-CD2 3.63Å
3A87.7Confident88.5Confident14 Ų1484.9 Ų84.912%0.11643%0.433CS..  trans-65.5149.3167.500000110.1Q5 L6 I39 V40 L41A3-Q5 HydrophobicContact CB-CG 4.17Å; A3-Q5 PolarHBondContact O-N 2.78Å; A3-L6 PolarHBondContact O-N 3.25Å; A3-I39 HydrophobicContact CB-CG2 4.44Å; A3-V40 WeakPolarHBondContact CB-O 3.32Å; A3-V40 PolarHBondContact N-O 3.19Å; A3-L41 HydrophobicContact CB-CD2 3.83Å
4T87.2Confident88.3Confident121 Ų12186.4 Ų86.474%0.74244%0.435SS*.G310 helixtrans-54.6-31.9-175.548.30000113.5L6 N7T4-L6 PolarHBondContact O-N 2.87Å; T4-N7 WeakPolarHBondContact O-CB 3.32Å; T4-N7 PolarHBondContact O-N 2.92Å
5Q87.4Confident88.3Confident129 Ų12983.2 Ų83.260%0.60342%0.42SS*.G310 helixtrans-62.6-20.5175.569.6-170.526.700114.3A3 H8 L41A3-Q5 HydrophobicContact CB-CG 4.17Å; A3-Q5 PolarHBondContact O-N 2.78Å; Q5-H8 PolarHBondContact O-CE1 3.2Å; Q5-H8 PolarHBondContact O-ND1 3.03Å; Q5-L41 PolarHBondContact NE2-O 3.29Å
6L91.2Very high88.3Confident14 Ų1482 Ų827%0.07342%0.418CS..G310 helixtrans-98.51.9179.1-60.9-178.5000113.4L2 A3 T4 H8 L9 V40 L43L2-L6 HydrophobicContact CB-CB 4.42Å; L2-L6 HydrophobicContact CD2-CB 3.47Å; L2-L6 VanDerWaalsContact CD2-CB 3.47Å; L2-L6 HydrophobicContact CD2-CD1 3.68Å; L2-L6 HydrophobicContact CD2-CG 4.24Å; A3-L6 PolarHBondContact O-N 3.25Å; T4-L6 PolarHBondContact O-N 2.87Å; L6-H8 PolarHBondContact O-N 3.42Å; L6-L9 HydrophobicContact CB-CD1 4.29Å; L6-L9 HydrophobicContact CD2-CD1 4.22Å; L6-L9 WeakPolarHBondContact O-CB 3.49Å; L6-L9 PolarHBondContact O-N 2.85Å; L6-V40 HydrophobicContact CD1-CG1 4.09Å; L6-L43 HydrophobicContact CD1-CD2 4.01Å; L6-L43 HydrophobicContact CD1-CG 4.35Å
7N89.6Confident88.2Confident63 Ų6385.9 Ų85.934%0.33744%0.44SS..THydrogen-bonded Turntrans-59.5-31.5179.9-74.3-2.2000112.7T4 L9 I10 E11T4-N7 WeakPolarHBondContact O-CB 3.32Å; T4-N7 PolarHBondContact O-N 2.92Å; N7-L9 PolarHBondContact O-N 3.41Å; N7-L9 VanDerWaalsContact O-N 3.09Å; N7-I10 PolarHBondContact O-N 3.38Å; N7-E11 PolarHBondContact O-N 3.35Å; N7-E11 VanDerWaalsContact O-N 3.08Å
8H91.1Very high88.1Confident75 Ų7587.2 Ų87.235%0.34745%0.448SS..Hα-helixtrans-54.3-29.1175.272.3-84.1000112.6Q5 L6 I10 E11 E12Q5-H8 PolarHBondContact O-CE1 3.2Å; Q5-H8 PolarHBondContact O-ND1 3.03Å; L6-H8 PolarHBondContact O-N 3.42Å; H8-I10 VanDerWaalsContact C-N 3.31Å; H8-I10 PolarHBondContact O-N 3.39Å; H8-E11 PolarHBondContact O-N 3.06Å; H8-E12 WeakPolarHBondContact O-CB 3.43Å; H8-E12 WeakPolarHBondContact O-CG 3.29Å; H8-E12 PolarHBondContact O-N 3.45Å
9L91.4Very high88.1Confident17 Ų1783.7 Ų83.79%0.08943%0.431CS..Hα-helixtrans-68.1-29.5177.1-61.5177.2000113.1L6 N7 K14 L15 L43 I45L6-L9 HydrophobicContact CB-CD1 4.29Å; L6-L9 HydrophobicContact CD2-CD1 4.22Å; L6-L9 WeakPolarHBondContact O-CB 3.49Å; L6-L9 PolarHBondContact O-N 2.85Å; N7-L9 PolarHBondContact O-N 3.41Å; N7-L9 VanDerWaalsContact O-N 3.09Å; L9-K14 HydrophobicContact CD2-CB 4.36Å; L9-K14 HydrophobicContact CD2-CD 4.13Å; L9-K14 WeakPolarHBondContact O-CA 2.94Å; L9-K14 PolarHBondContact O-N 2.85Å; L9-L15 HydrophobicContact CB-CB 4.02Å; L9-L15 HydrophobicContact CD1-CD1 4.42Å; L9-L15 PolarHBondContact O-N 3.49Å; L9-L43 HydrophobicContact CD1-CD1 3.81Å; L9-L43 HydrophobicContact CD1-CD2 4.1Å; L9-L43 HydrophobicContact CD1-CG 4.02Å; L9-I45 HydrophobicContact CD2-CD1 4.35Å
10I88.1Confident88.2Confident87 Ų8783.8 Ų83.845%0.44644%0.435SS..Hα-helixtrans-81-46.1174.4-59.9174.6000109.2L2 N7 H8 E12 N13 L15L2-I10 HydrophobicContact CD1-CD1 3.92Å; L2-I10 HydrophobicContact CD1-CG1 4.4Å; N7-I10 PolarHBondContact O-N 3.38Å; H8-I10 VanDerWaalsContact C-N 3.31Å; H8-I10 PolarHBondContact O-N 3.39Å; I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 2.84Å; I10-N13 PolarHBondContact O-N 3.29Å; I10-L15 HydrophobicContact CG1-CD2 4.33Å
11E87.1Confident88.5Confident150 Ų15082.8 Ų82.870%0.70143%0.43SS*.Hα-helixtrans-61.3-36.1-179.5-66.8170.9-169.400112.3N7 H8 N13N7-E11 PolarHBondContact O-N 3.35Å; N7-E11 VanDerWaalsContact O-N 3.08Å; H8-E11 PolarHBondContact O-N 3.06Å; E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.18Å
12E89.7Confident88.8Confident102 Ų10281.7 Ų81.748%0.47742%0.417SS..THydrogen-bonded Turntrans-85.47176.2-64.2172.7-173.400113.6H8 I10 K14H8-E12 WeakPolarHBondContact O-CB 3.43Å; H8-E12 WeakPolarHBondContact O-CG 3.29Å; H8-E12 PolarHBondContact O-N 3.45Å; I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 2.84Å; E12-K14 HydrophobicContact CB-CD 4.31Å; E12-K14 HydrophobicContact CB-CG 4.14Å; E12-K14 PolarHBondContact O-N 3.02Å; E12-K14 VanDerWaalsContact O-N 3.14Å; E12-K14 WeakPolarHBondContact OE2-CD 3.46Å; E12-K14 WeakPolarHBondContact OE2-CE 3.35Å; E12-K14 IonicContact OE2-NZ 2.87Å; E12-K14 PolarHBondContact OE2-NZ 2.87Å
13N86.2Confident89.1Confident128 Ų12882.5 Ų82.568%0.68442%0.423SS*.THydrogen-bonded Turntrans54.425.9-175.9-68.4-51.5000114.8I10 E11I10-N13 PolarHBondContact O-N 3.29Å; E11-N13 VanDerWaalsContact C-N 3.3Å; E11-N13 PolarHBondContact O-N 3.18Å
14K86.1Confident89.2Confident106 Ų10688.9 Ų88.946%0.46144%0.444SS..  trans-80.4-27175.7-68.5179.3173.8161.60112.4L9 E12 I45L9-K14 HydrophobicContact CD2-CB 4.36Å; L9-K14 HydrophobicContact CD2-CD 4.13Å; L9-K14 WeakPolarHBondContact O-CA 2.94Å; L9-K14 PolarHBondContact O-N 2.85Å; E12-K14 HydrophobicContact CB-CD 4.31Å; E12-K14 HydrophobicContact CB-CG 4.14Å; E12-K14 PolarHBondContact O-N 3.02Å; E12-K14 VanDerWaalsContact O-N 3.14Å; E12-K14 WeakPolarHBondContact OE2-CD 3.46Å; E12-K14 WeakPolarHBondContact OE2-CE 3.35Å; E12-K14 IonicContact OE2-NZ 2.87Å; E12-K14 PolarHBondContact OE2-NZ 2.87Å; K14-I45 HydrophobicContact CB-CD1 3.77Å; K14-I45 WeakPolarHBondContact O-CD1 3.45Å
15L88.4Confident89.5Confident38 Ų3889.4 Ų89.420%0.19944%0.436CS..SBendtrans-116.683.5-179.5-163.3133.6000109.5L2 L9 I10 I21 L43L2-L15 HydrophobicContact CD1-CD2 3.86Å; L9-L15 HydrophobicContact CB-CB 4.02Å; L9-L15 HydrophobicContact CD1-CD1 4.42Å; L9-L15 PolarHBondContact O-N 3.49Å; I10-L15 HydrophobicContact CG1-CD2 4.33Å; L15-I21 HydrophobicContact CD1-CG2 3.96Å; L15-L43 HydrophobicContact CD1-CD1 4.07Å; L15-L43 HydrophobicContact CD1-CD2 3.79Å
16V88.6Confident89.8Confident64 Ų6488.2 Ų88.239%0.38843%0.431SS..  trans-93.2170.3176.5-64.30000111.6N18 T19 T48V16-N18 PolarHBondContact O-N 3.44Å; V16-T19 WeakPolarHBondContact CG2-OG1 3.32Å; V16-T19 PolarHBondContact N-OG1 2.93Å; V16-T19 VanDerWaalsContact O-CB 3.29Å; V16-T19 WeakPolarHBondContact O-CB 3.39Å; V16-T19 PolarHBondContact O-N 2.85Å; V16-T19 VanDerWaalsContact O-N 3.13Å; V16-T19 PolarHBondContact O-OG1 2.82Å; V16-T48 HydrophobicContact CG2-CG2 3.72Å
17N86.3Confident89.6Confident149 Ų14990.4 Ų90.480%0.79744%0.444SS*.THydrogen-bonded Turntrans-55.4141.8170.8-73.1-12000110.1T19N17-T19 PolarHBondContact O-N 3.36Å
18N85.5Confident89.4Confident108 Ų10890.8 Ų90.858%0.57845%0.451SS*.THydrogen-bonded Turntrans66.615.7-175.7-48.1-34.5000115.4V16 V20V16-N18 PolarHBondContact O-N 3.44Å; N18-V20 PolarHBondContact O-N 3.45Å
19T89.4Confident88.9Confident22 Ų2291.1 Ų91.114%0.13546%0.455CS..EExtended strand (participates in β ladder)trans-69.5127167.3-53.70000110.1V16 N17 I21 I45 T48V16-T19 WeakPolarHBondContact CG2-OG1 3.32Å; V16-T19 PolarHBondContact N-OG1 2.93Å; V16-T19 VanDerWaalsContact O-CB 3.29Å; V16-T19 WeakPolarHBondContact O-CB 3.39Å; V16-T19 PolarHBondContact O-N 2.85Å; V16-T19 VanDerWaalsContact O-N 3.13Å; V16-T19 PolarHBondContact O-OG1 2.82Å; N17-T19 PolarHBondContact O-N 3.36Å; T19-I21 HydrophobicContact CG2-CG2 3.94Å; T19-I45 HydrophobicContact CG2-CG1 4.36Å; T19-I45 HydrophobicContact CG2-CG2 3.62Å; T19-T48 HydrophobicContact CG2-CG2 4Å; T19-T48 WeakPolarHBondContact OG1-CG2 3.44Å
20V89.8Confident88.3Confident85 Ų8595.8 Ų95.852%0.51548%0.481SS..EExtended strand (participates in β ladder)trans-84.9122.1172.1-176.60000108.6N18 L46 G47N18-V20 PolarHBondContact O-N 3.45Å; V20-L46 HydrophobicContact CB-CB 4.43Å; V20-L46 HydrophobicContact CG1-CB 4.2Å; V20-L46 HydrophobicContact CG1-CD1 4.2Å; V20-L46 PolarHBondContact O-N 3.46Å; V20-G47 PolarHBondContact N-O 2.98Å
21I93.4Very high87.8Confident62 Ų6296 Ų9632%0.31848%0.482SS..EExtended strand (participates in β ladder)trans-120.3149.6-179.263.4169.6000111.9L15 T19 V23 L43 D44 I45L15-I21 HydrophobicContact CD1-CG2 3.96Å; T19-I21 HydrophobicContact CG2-CG2 3.94Å; I21-V23 HydrophobicContact CD1-CG2 4.28Å; I21-L43 HydrophobicContact CB-CD1 4.37Å; I21-L43 HydrophobicContact CD1-CD2 4.14Å; I21-L43 HydrophobicContact CG2-CD1 4.06Å; I21-D44 CarbonylContact C-O 3.57Å; I21-D44 VanDerWaalsContact CA-O 3.25Å; I21-D44 WeakPolarHBondContact CA-O 3.37Å; I21-I45 HydrophobicContact CG2-CG1 4.36Å
22R92.6Very high86.7Confident140 Ų14097.1 Ų97.153%0.52849%0.487SS..EExtended strand (participates in β ladder)trans-103.9116.1164.8-178.2-175.6-65.5157.9-1.5108.7R24 L43 D44 L46R22-R24 PolarHBondContact O-N 3.07Å; R22-L43 CarbonylContact O-C 3.59Å; R22-L43 VanDerWaalsContact O-CA 3.26Å; R22-L43 WeakPolarHBondContact O-CA 3.39Å; R22-D44 HydrophobicContact CB-CB 4.22Å; R22-D44 PolarHBondContact N-O 3.49Å; R22-D44 IonicContact NH1-OD2 2.62Å; R22-D44 PolarHBondContact O-N 3.21Å; R22-L46 HydrophobicContact CB-CD1 4.03Å; R22-L46 HydrophobicContact CB-CD2 4.19Å; R22-L46 HydrophobicContact CB-CG 4.14Å
23V93.6Very high85.6Confident58 Ų5899.4 Ų99.435%0.35250%0.502SS..EExtended strand (participates in β ladder)trans-75.9121.3177.2177.70000109.6I21 H26 V40I21-V23 HydrophobicContact CD1-CG2 4.28Å; V23-H26 HydrophobicContact CG1-CB 3.85Å; V23-V40 HydrophobicContact CG1-CG1 4.27Å; V23-V40 HydrophobicContact CG2-CG1 4.5Å; V23-V40 HydrophobicContact CG2-CG2 4.3Å
24R91.3Very high85Confident149 Ų149100.2 Ų100.256%0.56251%0.506SS*.EExtended strand (participates in β ladder)trans-92.4-43177.6-72.8-171.4176-116.2-3.8112.8R22 D42 D44R22-R24 PolarHBondContact O-N 3.07Å; R24-D42 HydrophobicContact CB-CB 3.95Å; R24-D42 WeakPolarHBondContact CB-OD2 3.33Å; R24-D42 WeakPolarHBondContact CD-OD2 3.37Å; R24-D42 PolarHBondContact N-O 3.47Å; R24-D44 IonicContact CZ-OD1 3.13Å; R24-D44 VanDerWaalsContact CZ-OD1 3.27Å; R24-D44 IonicContact CZ-OD2 2.76Å; R24-D44 VanDerWaalsContact CZ-OD2 3.23Å; R24-D44 IonicContact NE-OD1 2.77Å; R24-D44 PolarHBondContact NE-OD1 2.77Å; R24-D44 IonicContact NE-OD2 2.55Å; R24-D44 PolarHBondContact NE-OD2 3.13Å; R24-D44 VanDerWaalsContact NH2-CG 3.28Å; R24-D44 IonicContact NH2-OD1 2.69Å; R24-D44 PolarHBondContact NH2-OD1 3.47Å; R24-D44 IonicContact NH2-OD2 2.94Å; R24-D44 PolarHBondContact NH2-OD2 2.85Å
25K92.1Very high84.4Confident132 Ų132102.3 Ų102.357%0.57452%0.516SS*.EExtended strand (participates in β ladder)trans-136.9136.7178.3-65.1-179.5179.1173.40110.1L41 D42K25-L41 HydrophobicContact CB-CB 3.93Å; K25-L41 PolarHBondContact O-N 3.45Å; K25-D42 HydrophobicContact CB-CB 3.75Å; K25-D42 HydrophobicContact CD-CB 4.23Å; K25-D42 HydrophobicContact CG-CB 4.03Å; K25-D42 PolarHBondContact N-O 2.99Å; K25-D42 VanDerWaalsContact N-O 3.16Å; K25-D42 PolarHBondContact O-N 3.05Å; K25-D42 VanDerWaalsContact O-N 3.17Å
26H93.6Very high84.2Confident104 Ų104105.2 Ų105.248%0.48154%0.535SS..EExtended strand (participates in β ladder)trans-148.6160.5178.767.9-84.9000112.1V23 L38 I39V23-H26 HydrophobicContact CG1-CB 3.85Å; H26-L38 HydrophobicContact CB-CD1 3.68Å; H26-L38 WeakPolarHBondContact CD2-CD1 3.43Å; H26-I39 CarbonylContact C-O 3.51Å; H26-I39 WeakPolarHBondContact CA-O 2.94Å; H26-I39 WeakPolarHBondContact CB-O 3.45Å
27V87.2Confident84Confident60 Ų60104.3 Ų104.336%0.36453%0.529SS..EExtended strand (participates in β ladder)trans-126.3132.8170.4177.50000108I39 L41V27-I39 HydrophobicContact CB-CB 4.47Å; V27-I39 PolarHBondContact N-O 2.77Å; V27-I39 PolarHBondContact O-N 3.02Å; V27-L41 HydrophobicContact CG2-CD1 3.74Å; V27-L41 HydrophobicContact CG2-CG 4.26Å
28C85.8Confident84.1Confident70 Ų70100.8 Ų100.847%0.47351%0.51SS..EExtended strand (participates in β ladder)trans-107.1116.6174.7-73.10000109.4V36 L38C28-V36 HydrophobicContact CB-CG1 4.25Å; C28-L38 WeakPolarHBondContact SG-CD1 3.39Å
29N81.2Confident84.3Confident83 Ų8397.6 Ų97.644%0.44449%0.492SS..EExtended strand (participates in β ladder)trans-108.3132.5174-78.1-13.9000110.1V37N29-V37 PolarHBondContact N-O 3.49Å; N29-V37 PolarHBondContact O-N 3.28Å
30N79.3Confident84.4Confident115 Ų11597.1 Ų97.162%0.61549%0.489SS*.EExtended strand (participates in β ladder)trans-86.7116.2172-163.31.3000109.1
31I77.5Confident84.6Confident92 Ų9295.9 Ų95.947%0.47248%0.48SS..EExtended strand (participates in β ladder)trans-92.5150.3172.1-54.6-173.2000107.8K35 V37I31-K35 HydrophobicContact CB-CB 4.47Å; I31-K35 WeakPolarHBondContact CB-O 3.27Å; I31-K35 PolarHBondContact N-O 2.71Å; I31-K35 PolarHBondContact O-N 3.05Å; I31-V37 HydrophobicContact CD1-CB 4.11Å; I31-V37 HydrophobicContact CD1-CG2 3.28Å; I31-V37 HydrophobicContact CG1-CB 4.5Å; I31-V37 HydrophobicContact CG1-CG2 3.92Å
32Q63.7Low84.5Confident172 Ų17295.5 Ų95.580%0.80448%0.479SS*.THydrogen-bonded Turntrans-42.4143.1173.5-69.8179.4-9.500111.9
33N66.7Low84.6Confident150 Ų15089.6 Ų89.680%0.80246%0.457SS*.THydrogen-bonded Turntrans72.340.3-174.6-56.9-19.7000116.2K35N33-K35 PolarHBondContact O-N 3.12Å; N33-K35 VanDerWaalsContact O-N 3.07Å
34N72.3Confident84.6Confident145 Ų14588.8 Ų88.878%0.77545%0.451SS*.THydrogen-bonded Turntrans58.622.7173.6-101.35.1000114.2
35K75.1Confident84.6Confident151 Ų15184.8 Ų84.866%0.65744%0.44SS*.EExtended strand (participates in β ladder)trans-92.7107.5176.5-73.6-171.8178.8-1780108.8I31 N33I31-K35 HydrophobicContact CB-CB 4.47Å; I31-K35 WeakPolarHBondContact CB-O 3.27Å; I31-K35 PolarHBondContact N-O 2.71Å; I31-K35 PolarHBondContact O-N 3.05Å; N33-K35 PolarHBondContact O-N 3.12Å; N33-K35 VanDerWaalsContact O-N 3.07Å
36V83.2Confident84.5Confident99 Ų9983 Ų8360%0.644%0.436SS*.EExtended strand (participates in β ladder)trans-86125.3173.4-1760000109C28C28-V36 HydrophobicContact CB-CG1 4.25Å
37V84.9Confident84.1Confident45 Ų4579.7 Ų79.727%0.27343%0.43SS..EExtended strand (participates in β ladder)trans-103.8117.8172.5176.10000109.3N29 I31 I39N29-V37 PolarHBondContact N-O 3.49Å; N29-V37 PolarHBondContact O-N 3.28Å; I31-V37 HydrophobicContact CD1-CB 4.11Å; I31-V37 HydrophobicContact CD1-CG2 3.28Å; I31-V37 HydrophobicContact CG1-CB 4.5Å; I31-V37 HydrophobicContact CG1-CG2 3.92Å; V37-I39 HydrophobicContact CG1-CG1 4.18Å
38L88.2Confident83.7Confident74 Ų7480 Ų8039%0.38743%0.432SS..EExtended strand (participates in β ladder)trans-86.3119.2170.6-179.170.5000109.6M1 H26 C28 V40M1-L38 PolarHBondContact N-O 2.93Å; H26-L38 HydrophobicContact CB-CD1 3.68Å; H26-L38 WeakPolarHBondContact CD2-CD1 3.43Å; C28-L38 WeakPolarHBondContact SG-CD1 3.39Å; L38-V40 HydrophobicContact CG-CG2 4.49Å
39I90.1Very high82.7Confident41 Ų4181.1 Ų81.121%0.2143%0.433CS..EExtended strand (participates in β ladder)trans-104.6115.9173.7-53.7175.4000108M1 A3 H26 V27 V37 L41M1-I39 CarbonylContact O-C 3.54Å; M1-I39 WeakPolarHBondContact O-CA 3.44Å; A3-I39 HydrophobicContact CB-CG2 4.44Å; H26-I39 CarbonylContact C-O 3.51Å; H26-I39 WeakPolarHBondContact CA-O 2.94Å; H26-I39 WeakPolarHBondContact CB-O 3.45Å; V27-I39 HydrophobicContact CB-CB 4.47Å; V27-I39 PolarHBondContact N-O 2.77Å; V27-I39 PolarHBondContact O-N 3.02Å; V37-I39 HydrophobicContact CG1-CG1 4.18Å; I39-L41 HydrophobicContact CG2-CD2 4.27Å
40V92Very high81.5Confident12 Ų1284.2 Ų84.27%0.07345%0.45CS..EExtended strand (participates in β ladder)trans-87118.3178.7-179.60000108.6M1 A3 L6 V23 L38 L43M1-V40 PolarHBondContact O-N 2.91Å; A3-V40 WeakPolarHBondContact CB-O 3.32Å; A3-V40 PolarHBondContact N-O 3.19Å; L6-V40 HydrophobicContact CD1-CG1 4.09Å; V23-V40 HydrophobicContact CG1-CG1 4.27Å; V23-V40 HydrophobicContact CG2-CG1 4.5Å; V23-V40 HydrophobicContact CG2-CG2 4.3Å; L38-V40 HydrophobicContact CG-CG2 4.49Å; V40-L43 HydrophobicContact CG1-CB 4.05Å; V40-L43 HydrophobicContact CG1-CD2 3.88Å
41L92Very high80.1Confident59 Ų5983.5 Ų83.531%0.30945%0.454SS..EExtended strand (participates in β ladder)trans-95-30.1179.3-60.1-178000112.1A3 Q5 K25 V27 I39A3-L41 HydrophobicContact CB-CD2 3.83Å; Q5-L41 PolarHBondContact NE2-O 3.29Å; K25-L41 HydrophobicContact CB-CB 3.93Å; K25-L41 PolarHBondContact O-N 3.45Å; V27-L41 HydrophobicContact CG2-CD1 3.74Å; V27-L41 HydrophobicContact CG2-CG 4.26Å; I39-L41 HydrophobicContact CG2-CD2 4.27Å
42D92.7Very high78.3Confident55 Ų5583.2 Ų83.229%0.29446%0.46SS..EExtended strand (participates in β ladder)trans-152.8141.6-177.9-171.417.4000110.3R24 K25R24-D42 HydrophobicContact CB-CB 3.95Å; R24-D42 WeakPolarHBondContact CB-OD2 3.33Å; R24-D42 WeakPolarHBondContact CD-OD2 3.37Å; R24-D42 PolarHBondContact N-O 3.47Å; K25-D42 HydrophobicContact CB-CB 3.75Å; K25-D42 HydrophobicContact CD-CB 4.23Å; K25-D42 HydrophobicContact CG-CB 4.03Å; K25-D42 PolarHBondContact N-O 2.99Å; K25-D42 VanDerWaalsContact N-O 3.16Å; K25-D42 PolarHBondContact O-N 3.05Å; K25-D42 VanDerWaalsContact O-N 3.17Å
43L94.2Very high76.9Confident15 Ų1579 Ų798%0.07946%0.462CS..EExtended strand (participates in β ladder)trans-153.8152.8-176.670.187.1000113L2 L6 L9 L15 I21 R22 V40 I45L2-L43 HydrophobicContact CD2-CD2 3.63Å; L6-L43 HydrophobicContact CD1-CD2 4.01Å; L6-L43 HydrophobicContact CD1-CG 4.35Å; L9-L43 HydrophobicContact CD1-CD1 3.81Å; L9-L43 HydrophobicContact CD1-CD2 4.1Å; L9-L43 HydrophobicContact CD1-CG 4.02Å; L15-L43 HydrophobicContact CD1-CD1 4.07Å; L15-L43 HydrophobicContact CD1-CD2 3.79Å; I21-L43 HydrophobicContact CB-CD1 4.37Å; I21-L43 HydrophobicContact CD1-CD2 4.14Å; I21-L43 HydrophobicContact CG2-CD1 4.06Å; R22-L43 CarbonylContact O-C 3.59Å; R22-L43 VanDerWaalsContact O-CA 3.26Å; R22-L43 WeakPolarHBondContact O-CA 3.39Å; V40-L43 HydrophobicContact CG1-CB 4.05Å; V40-L43 HydrophobicContact CG1-CD2 3.88Å; L43-I45 HydrophobicContact CD1-CG1 3.88Å
44D94Very high75.1Confident41 Ų4175.2 Ų75.222%0.21946%0.459CS..EExtended strand (participates in β ladder)trans-103.8144162.5-58.5-42.3000110.3I21 R22 R24I21-D44 CarbonylContact C-O 3.57Å; I21-D44 VanDerWaalsContact CA-O 3.25Å; I21-D44 WeakPolarHBondContact CA-O 3.37Å; R22-D44 HydrophobicContact CB-CB 4.22Å; R22-D44 PolarHBondContact N-O 3.49Å; R22-D44 IonicContact NH1-OD2 2.62Å; R22-D44 PolarHBondContact O-N 3.21Å; R24-D44 IonicContact CZ-OD1 3.13Å; R24-D44 VanDerWaalsContact CZ-OD1 3.27Å; R24-D44 IonicContact CZ-OD2 2.76Å; R24-D44 VanDerWaalsContact CZ-OD2 3.23Å; R24-D44 IonicContact NE-OD1 2.77Å; R24-D44 PolarHBondContact NE-OD1 2.77Å; R24-D44 IonicContact NE-OD2 2.55Å; R24-D44 PolarHBondContact NE-OD2 3.13Å; R24-D44 VanDerWaalsContact NH2-CG 3.28Å; R24-D44 IonicContact NH2-OD1 2.69Å; R24-D44 PolarHBondContact NH2-OD1 3.47Å; R24-D44 IonicContact NH2-OD2 2.94Å; R24-D44 PolarHBondContact NH2-OD2 2.85Å
45I92Very high73.1Confident66 Ų6675.2 Ų75.234%0.33846%0.464SS..EExtended strand (participates in β ladder)trans-90.2123.8168.7-63.9161.8000108.1L9 K14 T19 I21 L43L9-I45 HydrophobicContact CD2-CD1 4.35Å; K14-I45 HydrophobicContact CB-CD1 3.77Å; K14-I45 WeakPolarHBondContact O-CD1 3.45Å; T19-I45 HydrophobicContact CG2-CG1 4.36Å; T19-I45 HydrophobicContact CG2-CG2 3.62Å; I21-I45 HydrophobicContact CG2-CG1 4.36Å; L43-I45 HydrophobicContact CD1-CG1 3.88Å
46L88.3Confident71.1Confident95 Ų9577.3 Ų77.350%0.49747%0.473SS..EExtended strand (participates in β ladder)trans-97.3-22.5-178.5-60.2-177.1000113V20 R22V20-L46 HydrophobicContact CB-CB 4.43Å; V20-L46 HydrophobicContact CG1-CB 4.2Å; V20-L46 HydrophobicContact CG1-CD1 4.2Å; V20-L46 PolarHBondContact O-N 3.46Å; R22-L46 HydrophobicContact CB-CD1 4.03Å; R22-L46 HydrophobicContact CB-CD2 4.19Å; R22-L46 HydrophobicContact CB-CG 4.14Å
47G85.6Confident68.5Low33 Ų3378.2 Ų78.234%0.3448%0.484SS..EExtended strand (participates in β ladder)trans161.9164.6177.900000112.3V20V20-G47 PolarHBondContact N-O 2.98Å
48T79Confident65.9Low66 Ų6685 Ų8541%0.40551%0.513SS..EExtended strand (participates in β ladder)trans-117.4134.4173.145.50000108.6V16 T19 D50V16-T48 HydrophobicContact CG2-CG2 3.72Å; T19-T48 HydrophobicContact CG2-CG2 4Å; T19-T48 WeakPolarHBondContact OG1-CG2 3.44Å; T48-D50 PolarHBondContact O-N 3Å
49D65.7Low63Low95 Ų9589.8 Ų89.851%0.50853%0.533SS..  trans-86.6103.8172.4-163.3-4.7000108.8S51D49-S51 PolarHBondContact O-N 3.3Å; D49-S51 VanDerWaalsContact O-N 3.16Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 2.88Å; D49-S51 PolarHBondContact OD1-OG 3.35Å
50D55.3Low60Low147 Ų14793.6 Ų93.679%0.78656%0.561SS**  trans-76.111.2178.5-76.3-22.6000112.9T48 S52T48-D50 PolarHBondContact O-N 3Å; D50-S52 PolarHBondContact O-N 3.16Å; D50-S52 VanDerWaalsContact O-N 3.11Å
51S48.9Very low57.1Low101 Ų10199 Ų9971%0.70660%0.596SS**  trans-87.762.7-176.1-45.60000112.8D49D49-S51 PolarHBondContact O-N 3.3Å; D49-S51 VanDerWaalsContact O-N 3.16Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 2.88Å; D49-S51 PolarHBondContact OD1-OG 3.35Å
52S41.5Very low54.3Low85 Ų85103.2 Ų103.259%0.59462%0.624SS**  trans-139.380.9166.657.10000113.1D50 G54D50-S52 PolarHBondContact O-N 3.16Å; D50-S52 VanDerWaalsContact O-N 3.11Å; S52-G54 PolarHBondContact O-N 3.43Å
53G33.5Very low51.3Low83 Ų83107.3 Ų107.386%0.85665%0.651SS**  trans-63.3114.1148.500000108.7
54G29.1Very low48.5Very low71 Ų71111.4 Ų111.473%0.73269%0.687SS**  trans-67.3139.6-166.900000115.1S52S52-G54 PolarHBondContact O-N 3.43Å
55V30.4Very low45.5Very low146 Ų146119.3 Ų119.389%0.88572%0.719SS**  trans-97.6109.5155.6-179.40000106.9S57V55-S57 PolarHBondContact O-N 3.29Å
56K33.1Very low42.9Very low195 Ų195121.8 Ų121.885%0.84874%0.74SS**  trans-62.4130.6172.6-72.1177.5176.1177.10109.3E58K56-E58 PolarHBondContact O-N 3.18Å
57S27.1Very low40.3Very low118 Ų118121.5 Ų121.583%0.82575%0.751SS**  trans-63.4111.7170.4172.10000110.4V55V55-S57 PolarHBondContact O-N 3.29Å
58E31.6Very low37.7Very low188 Ų188126 Ų12688%0.87977%0.773SS**PPolyproline II helixtrans-101.8126.6162.5-83.5-175.2161.100110.2K56K56-E58 PolarHBondContact O-N 3.18Å
59Q27.7Very low35.5Very low173 Ų173128.9 Ų128.981%0.80879%0.79SS**PPolyproline II helixtrans-66151.1175.8-74.9171-41.800111.4
60P25.7Very low33.9Very low122 Ų122130.2 Ų130.279%0.79280%0.801SS**PPolyproline II helixtrans-81131-178.931.5-30.3000110.9
61P31.3Very low32.8Very low126 Ų126127 Ų12782%0.81879%0.79SS**PPolyproline II helixtrans-88.7140170.433.3-28.8000111.5
62T32.6Very low32.5Very low146 Ų146130 Ų13090%0.89679%0.793SS**PPolyproline II helixtrans-70152.117734.10000114.4
63V31.2Very low32.1Very low141 Ų141129.2 Ų129.286%0.85579%0.788SS**PPolyproline II helixtrans-59.4138.5-177.4176.30000115.2
64A33.9Very low32.3Very low102 Ų102135 Ų13584%0.84379%0.785SS**  trans-159.5150.9143.300000111.9
65K32Very low32.5Very low206 Ų206139.7 Ų139.790%0.89679%0.788SS**  trans-90.4176.3-155.5-106.6-168.5173173.70115.6
66P37.4Very low33Very low119 Ų119137.5 Ų137.577%0.77378%0.777SS**  trans-106.5169.1-147.742.3-38.1000115.8
67A33.9Very low33.2Very low88 Ų88134.7 Ų134.773%0.72777%0.767SS**  trans-160.8119.9151.400000112.6
68T29.7Very low33.8Very low129 Ų129138.7 Ų138.779%0.79177%0.772SS**  trans32.1129.8131.5-11.10000120.4
69T34.6Very low34.1Very low126 Ų126137 Ų13777%0.77376%0.762SS**  177.6130.7101.8-55.80000112.1
70T30.6Very low34.8Very low122 Ų122134.8 Ų134.875%0.74876%0.76SS**  trans-41.3170.2158.536.20000115.2
71S33.8Very low35.6Very low79 Ų79134.3 Ų134.355%0.55276%0.757SS**  cis-177.21736.634.40000107.8
72H40.8Very low36Very low166 Ų166134 Ų13477%0.76976%0.755SS**  trans92.8142.2158.3-58-63000119
73S34.2Very low36.4Very low68 Ų68137.3 Ų137.348%0.47676%0.757SS.*  cis167.2152.2-36.446.80000109.2
74Y37.7Very low36.6Very low205 Ų205135.7 Ų135.780%0.80475%0.752SS**  trans72.3145.1157.4-52.2-56.1000117
75E33.6Very low36.8Very low169 Ų169135.6 Ų135.679%0.7975%0.746SS**  cis-172.9-175.39.4-124.4-163.8113.300108.8
76P39.8Very low37.1Very low100 Ų100132.7 Ų132.765%0.64975%0.745SS**  trans-131.3-156.3-140.334.1-5.8000113.7
77E38.1Very low37.2Very low136 Ų136130.5 Ų130.564%0.63674%0.744SS**  trans80.6124.3162.1-77-164.913100119.8K79E77-K79 WeakPolarHBondContact OE1-CE 3.19Å; E77-K79 IonicContact OE1-NZ 3.01Å; E77-K79 PolarHBondContact OE1-NZ 3.23Å
78Q40.3Very low37.5Very low202 Ų202131.8 Ų131.894%0.94475%0.745SS**  -152.3126.3123.2-112.4173.84.300112.5
79K38.2Very low37.8Very low151 Ų151136 Ų13666%0.65775%0.753SS**  trans-80.6160.3172.5-70.3164.6168126.50110.5E77E77-K79 WeakPolarHBondContact OE1-CE 3.19Å; E77-K79 IonicContact OE1-NZ 3.01Å; E77-K79 PolarHBondContact OE1-NZ 3.23Å
80T41.9Very low37.8Very low127 Ų127135.9 Ų135.978%0.77976%0.757SS**  155.9176.494.946.10000108.8
81P41.8Very low38.1Very low112 Ų112134.1 Ų134.173%0.72776%0.763SS**  -138.7-176.8-57.442.1-24.1000113.2
82P40.7Very low38.2Very low119 Ų119134 Ų13477%0.77377%0.774SS**  trans-100.6163.8-174.337.8-30000114.4
83K41Very low38Very low216 Ų216134.7 Ų134.794%0.93978%0.778SS**  trans-145.9142166.3-88.7-171.6179.81770114.4
84S33.7Very low38.3Very low108 Ų108137.5 Ų137.576%0.75580%0.795SS**  trans-108.9166.6-179.149.30000112.7
85S38.1Very low38.3Very low100 Ų100132.4 Ų132.470%0.69979%0.789SS**  trans94.7122.5148.974.40000122.1
86T38.6Very low38.7Very low144 Ų144130.9 Ų130.988%0.88379%0.791SS**  trans76.6125.7138.752.50000122.6
87G40.9Very low38.4Very low73 Ų73132.4 Ų132.475%0.75380%0.801SS**  trans148.7112155.800000114.1
88P38.8Very low38.2Very low116 Ų116129.6 Ų129.675%0.75381%0.808SS**  trans-93.9138-170.435.1-29.3000111.7
89F37.5Very low37.9Very low217 Ų217126.2 Ų126.295%0.95280%0.802SS**  trans-156132.9157.2-102.3-74.5000112.4
90S34.3Very low37.6Very low123 Ų123125.5 Ų125.586%0.8681%0.813SS**  trans-58.3150.9177.8-57.90000114.2
91G36.3Very low37.1Very low85 Ų85122.1 Ų122.188%0.87680%0.803SS**  trans150.4107.3151.200000115
92G35.3Very low36.7Very low76 Ų76123.9 Ų123.978%0.78482%0.816SS**  trans11483.1148.200000117.1
93Q36.9Very low36.8Very low182 Ų182121.5 Ų121.585%0.8581%0.813SS**  trans-62.4153.4152.5-91.2176.1-55.700110.7
94P41.1Very low37.7Very low127 Ų127116.8 Ų116.883%0.82580%0.797SS**  trans-106.8118.1131-321.8000109.3
95S36.7Very low39.3Very low97 Ų97114.4 Ų114.468%0.67878%0.78SS**  trans-57.4133.9166.534.90000111.7
96T43.3Very low41.5Very low137 Ų137119.1 Ų119.184%0.8478%0.782SS**  trans-133.1133.4136.244.40000108.2
97P33.1Very low44Very low133 Ų133115 Ų11586%0.86476%0.757SS**  trans-89.6126.5-171.322.8-8.7000110.6
98G34Very low46.4Very low76 Ų76113.6 Ų113.678%0.78473%0.73SS**  trans-135.4106.9172.900000109.9
99T34.6Very low49Very low131 Ų131110.4 Ų110.480%0.80471%0.709SS**  trans-47.6137.7-175.9-35.70000114.1G101T99-G101 PolarHBondContact O-N 3.36Å; T99-G101 VanDerWaalsContact O-N 3.1Å
100P31.3Very low51.6Low137 Ų137100.1 Ų100.189%0.8966%0.664SS**  trans-78.794.5173.231.3-29.4000109
101G31.4Very low54.2Low55 Ų55100 Ų10057%0.56765%0.65SS**SBendtrans-156.7110.1177.700000110.6T99 G103T99-G101 PolarHBondContact O-N 3.36Å; T99-G101 VanDerWaalsContact O-N 3.1Å; G101-G103 PolarHBondContact O-N 3.46Å
102C33.1Very low56.8Low150 Ų15098 Ų98100%1.01462%0.623SS**  trans9.977.6156.6-156.70000115.1
103G43.3Very low59.4Low68 Ų6894.7 Ų94.770%0.70159%0.587SS**  trans-128.5106.8-174.100000110.7G101G101-G103 PolarHBondContact O-N 3.46Å
104L59Low61.8Low117 Ų11788 Ų8861%0.61356%0.557SS**  trans-52.5139.7172.3-71.8163000110
105P67.3Low64Low59 Ų5984.2 Ų84.238%0.38353%0.532SS..  trans-58.5143.4179.224.8-33000110.3V107 T121 Y179P105-V107 WeakPolarHBondContact O-CG2 3.35Å; P105-V107 PolarHBondContact O-N 2.92Å; P105-T121 HydrophobicContact CB-CG2 3.99Å; P105-T121 HydrophobicContact CG-CG2 3.94Å; P105-Y179 HydrophobicContact CG-CD1 4Å; P105-Y179 HydrophobicContact CG-CE1 4.2Å
106R85.3Confident66.1Low198 Ų19889.3 Ų89.375%0.74754%0.538SS*.  trans-60.3112.9174.4-177.1179.2-180-178.10.6109.2F108R106-F108 HydrophobicContact CG-CE2 4.03Å
107V90.1Very high67.9Low59 Ų5986 Ų8636%0.35851%0.513SS..BIsolated β-bridgetrans-84.1135.3-179.7-177.50000110.4P105 T121 R123 Y179P105-V107 WeakPolarHBondContact O-CG2 3.35Å; P105-V107 PolarHBondContact O-N 2.92Å; V107-T121 CarbonylContact C-O 3.57Å; V107-T121 VanDerWaalsContact CA-O 3.26Å; V107-T121 WeakPolarHBondContact CA-O 3.46Å; V107-R123 HydrophobicContact CG1-CB 3.69Å; V107-R123 HydrophobicContact CG2-CB 4Å; V107-Y179 HydrophobicContact CG2-CD1 4.46Å; V107-Y179 HydrophobicContact CG2-CE1 3.92Å
108F92.1Very high70Confident43 Ų4386.2 Ų86.219%0.18951%0.507CS..  trans-110.5141.8172.3-71.8-103.1000109.3R106 L113 W120 T121 I122R106-F108 HydrophobicContact CG-CE2 4.03Å; F108-L113 HydrophobicContact CB-CD2 4.17Å; F108-W120 HydrophobicContact CB-CB 4.39Å; F108-W120 HydrophobicContact CD2-CB 3.86Å; F108-W120 HydrophobicContact CE2-CB 4.33Å; F108-W120 HydrophobicContact CG-CB 4.11Å; F108-T121 PolarHBondContact N-O 3.46Å; F108-I122 VanDerWaalsContact O-CG2 3.32Å; F108-I122 WeakPolarHBondContact O-CG2 3.42Å
109P92.4Very high72.4Confident49 Ų4993.7 Ų93.732%0.31851%0.512SS..  trans-69.7142.4171.925.5-29.8000110.5Q111 S112 D151 S153P109-Q111 PolarHBondContact O-N 2.98Å; P109-S112 WeakPolarHBondContact CD-OG 3.37Å; P109-S112 WeakPolarHBondContact CG-OG 3.38Å; P109-S112 WeakPolarHBondContact O-CB 3.47Å; P109-S112 PolarHBondContact O-N 2.76Å; P109-S112 PolarHBondContact O-OG 2.82Å; P109-D151 WeakPolarHBondContact CA-OD2 3.35Å; P109-S153 WeakPolarHBondContact CB-OG 3.5Å
110I93.1Very high75.2Confident1 Ų188 Ų881%0.00548%0.475CS..G310 helixtrans-48.3-45.2178.8-76.9167.3000111.5S112 L113 I122 A124 L149 D151 S153 G154 I156 N197I110-S112 PolarHBondContact O-N 3.34Å; I110-L113 WeakPolarHBondContact O-CB 3.49Å; I110-L113 WeakPolarHBondContact O-CG 3.46Å; I110-L113 PolarHBondContact O-N 3.41Å; I110-I122 HydrophobicContact CG1-CD1 4.06Å; I110-A124 HydrophobicContact CD1-CB 4.07Å; I110-L149 HydrophobicContact CD1-CB 4.37Å; I110-D151 WeakPolarHBondContact CB-OD2 3.39Å; I110-D151 HydrophobicContact CD1-CB 3.96Å; I110-D151 HydrophobicContact CG1-CB 4.44Å; I110-D151 VanDerWaalsContact CG1-OD2 3.27Å; I110-D151 WeakPolarHBondContact CG1-OD2 3.35Å; I110-D151 PolarHBondContact N-OD2 2.89Å; I110-S153 PolarHBondContact N-OG 2.98Å; I110-G154 WeakPolarHBondContact CD1-O 3.24Å; I110-I156 HydrophobicContact CD1-CG2 3.89Å; I110-I156 HydrophobicContact CG1-CG2 3.96Å; I110-I156 HydrophobicContact CG2-CB 3.71Å; I110-I156 HydrophobicContact CG2-CG2 3.93Å; I110-N197 WeakPolarHBondContact CG2-ND2 3.35Å
111Q89.5Confident78.1Confident119 Ų11982.5 Ų82.556%0.55644%0.44SS*.G310 helixtrans-66.5-18.7-177.1-164.46426.900113.5P109 S153P109-Q111 PolarHBondContact O-N 2.98Å; Q111-S153 PolarHBondContact N-OG 3.38Å
112S89.8Confident81.1Confident44 Ų4479.9 Ų79.931%0.30841%0.413SS..G310 helixtrans-85.4-12.4178.971.30000114.2P109 I110 N114 Q117P109-S112 WeakPolarHBondContact CD-OG 3.37Å; P109-S112 WeakPolarHBondContact CG-OG 3.38Å; P109-S112 WeakPolarHBondContact O-CB 3.47Å; P109-S112 PolarHBondContact O-N 2.76Å; P109-S112 PolarHBondContact O-OG 2.82Å; I110-S112 PolarHBondContact O-N 3.34Å; S112-N114 PolarHBondContact O-ND2 2.78Å; S112-Q117 PolarHBondContact O-OE1 3.05Å
113L90.2Very high84Confident6 Ų674.4 Ų74.43%0.03137%0.37CS..  trans-70.5139.3-176.8-60-176.7000111.1F108 I110 W120 I122 L185 M201F108-L113 HydrophobicContact CB-CD2 4.17Å; I110-L113 WeakPolarHBondContact O-CB 3.49Å; I110-L113 WeakPolarHBondContact O-CG 3.46Å; I110-L113 PolarHBondContact O-N 3.41Å; L113-W120 HydrophobicContact CD1-CD2 4.46Å; L113-W120 HydrophobicContact CD1-CE3 4.38Å; L113-W120 HydrophobicContact CD2-CB 3.79Å; L113-W120 HydrophobicContact CD2-CD2 3.8Å; L113-W120 HydrophobicContact CD2-CE3 4.18Å; L113-W120 HydrophobicContact CD2-CG 3.61Å; L113-I122 HydrophobicContact CD1-CG2 3.7Å; L113-I122 HydrophobicContact CD2-CG2 4.13Å; L113-I122 HydrophobicContact CG-CG2 4.24Å; L113-L185 HydrophobicContact CB-CD2 3.88Å; L113-M201 HydrophobicContact CD1-CE 3.08Å
114N87.1Confident86.4Confident41 Ų4171.1 Ų71.122%0.21934%0.337CS..  trans-146159.7172.359.675.6000110.4S112 Y116 Q117 L185 Y199S112-N114 PolarHBondContact O-ND2 2.78Å; N114-Y116 PolarHBondContact O-N 3.06Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.42Å; N114-Y116 PolarHBondContact OD1-N 3.4Å; N114-Q117 VanDerWaalsContact ND2-CD 3.25Å; N114-Q117 PolarHBondContact ND2-NE2 2.99Å; N114-Q117 VanDerWaalsContact ND2-NE2 3.17Å; N114-Q117 PolarHBondContact O-N 3.24Å; N114-Q117 VanDerWaalsContact O-N 3.1Å; N114-Q117 PolarHBondContact OD1-N 2.84Å; N114-L185 VanDerWaalsContact CA-CD2 3.47Å; N114-Y199 HydrophobicContact CB-CE2 4.31Å
115P86.8Confident88.1Confident48 Ų4866.7 Ų66.731%0.31231%0.312SS..THydrogen-bonded Turntrans-62.4-13.1-174.9-26.636.4000115.2L185 Y199P115-L185 HydrophobicContact CG-CD2 4.43Å; P115-Y199 HydrophobicContact CG-CD1 3.94Å; P115-Y199 HydrophobicContact CG-CE1 3.66Å
116Y82.5Confident89.3Confident204 Ų20463.9 Ų63.980%0.829%0.294SS*.THydrogen-bonded Turntrans-90.3-7.1-179-50.7-76.4000112.8N114N114-Y116 PolarHBondContact O-N 3.06Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.42Å; N114-Y116 PolarHBondContact OD1-N 3.4Å
117Q79.3Confident89.4Confident67 Ų6754.7 Ų54.731%0.31326%0.26SS..  trans-98109.7175.6-70.3174.5-4.400110.5S112 N114 W120S112-Q117 PolarHBondContact O-OE1 3.05Å; N114-Q117 VanDerWaalsContact ND2-CD 3.25Å; N114-Q117 PolarHBondContact ND2-NE2 2.99Å; N114-Q117 VanDerWaalsContact ND2-NE2 3.17Å; N114-Q117 PolarHBondContact O-N 3.24Å; N114-Q117 VanDerWaalsContact O-N 3.1Å; N114-Q117 PolarHBondContact OD1-N 2.84Å; Q117-W120 PolarHBondContact O-NE1 3.31Å; Q117-W120 VanDerWaalsContact O-NE1 3.13Å
118N77.1Confident89.1Confident138 Ų13852.9 Ų52.974%0.73825%0.248SC*.  trans-92.3-13.1179.8-64.8-29.2000113.8
119R86.1Confident88.9Confident233 Ų23353 Ų5388%0.87925%0.248SC*.SBendtrans-123.192.4-176.9-69.1-174.7-177.1-178.81.4110.5
120W91.7Very high88.6Confident12 Ų1251 Ų515%0.04524%0.236CC..  trans-143.6159.1174.351.4-99.2000109.3F108 L113 Q117 I122 V180 S181 A183 M201F108-W120 HydrophobicContact CB-CB 4.39Å; F108-W120 HydrophobicContact CD2-CB 3.86Å; F108-W120 HydrophobicContact CE2-CB 4.33Å; F108-W120 HydrophobicContact CG-CB 4.11Å; L113-W120 HydrophobicContact CD1-CD2 4.46Å; L113-W120 HydrophobicContact CD1-CE3 4.38Å; L113-W120 HydrophobicContact CD2-CB 3.79Å; L113-W120 HydrophobicContact CD2-CD2 3.8Å; L113-W120 HydrophobicContact CD2-CE3 4.18Å; L113-W120 HydrophobicContact CD2-CG 3.61Å; Q117-W120 PolarHBondContact O-NE1 3.31Å; Q117-W120 VanDerWaalsContact O-NE1 3.13Å; W120-I122 HydrophobicContact CE3-CG2 3.98Å; W120-I122 HydrophobicContact CZ3-CG1 4.18Å; W120-I122 HydrophobicContact CZ3-CG2 4.24Å; W120-V180 HydrophobicContact CZ3-CG1 4.39Å; W120-V180 WeakPolarHBondContact CZ3-O 3.18Å; W120-S181 VanDerWaalsContact O-CB 3.31Å; W120-S181 WeakPolarHBondContact O-CB 3.18Å; W120-A183 HydrophobicContact CH2-CB 3.79Å; W120-A183 HydrophobicContact CZ2-CB 4.16Å; W120-A183 WeakPolarHBondContact CZ2-O 3.49Å; W120-M201 HydrophobicContact CH2-CE 3.38Å; W120-M201 HydrophobicContact CH2-SD 3.59Å; W120-M201 VanDerWaalsContact CH2-SD 3.59Å; W120-M201 HydrophobicContact CZ2-CE 4.02Å; W120-M201 HydrophobicContact CZ2-SD 4.41Å; W120-M201 HydrophobicContact CZ3-CE 3.69Å; W120-M201 HydrophobicContact CZ3-SD 4.21Å
121T93.8Very high88.1Confident22 Ų2252.2 Ų52.214%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-136131.7166.4-61.60000106P105 V107 F108 Y179 V180 S181P105-T121 HydrophobicContact CB-CG2 3.99Å; P105-T121 HydrophobicContact CG-CG2 3.94Å; V107-T121 CarbonylContact C-O 3.57Å; V107-T121 VanDerWaalsContact CA-O 3.26Å; V107-T121 WeakPolarHBondContact CA-O 3.46Å; F108-T121 PolarHBondContact N-O 3.46Å; T121-Y179 HydrophobicContact CG2-CD1 3.97Å; T121-V180 CarbonylContact C-O 3.5Å; T121-V180 WeakPolarHBondContact CA-O 2.9Å; T121-S181 WeakPolarHBondContact OG1-CB 3.41Å
122I94Very high88.1Confident0 Ų048.7 Ų48.70%023%0.23CC..EExtended strand (participates in β ladder)trans-106152.8171.663.4173.1000109.3F108 I110 L113 W120 A124 L149 I156 Y179 V180 M201F108-I122 VanDerWaalsContact O-CG2 3.32Å; F108-I122 WeakPolarHBondContact O-CG2 3.42Å; I110-I122 HydrophobicContact CG1-CD1 4.06Å; L113-I122 HydrophobicContact CD1-CG2 3.7Å; L113-I122 HydrophobicContact CD2-CG2 4.13Å; L113-I122 HydrophobicContact CG-CG2 4.24Å; W120-I122 HydrophobicContact CE3-CG2 3.98Å; W120-I122 HydrophobicContact CZ3-CG1 4.18Å; W120-I122 HydrophobicContact CZ3-CG2 4.24Å; I122-A124 HydrophobicContact CD1-CB 4.49Å; I122-L149 HydrophobicContact CD1-CD1 3.72Å; I122-I156 HydrophobicContact CD1-CG2 4.38Å; I122-Y179 CarbonylContact O-C 3.53Å; I122-Y179 VanDerWaalsContact O-CA 3.26Å; I122-Y179 WeakPolarHBondContact O-CA 3.43Å; I122-V180 HydrophobicContact CD1-CB 4.3Å; I122-V180 HydrophobicContact CG1-CB 3.84Å; I122-V180 PolarHBondContact N-O 3.41Å; I122-V180 PolarHBondContact O-N 2.95Å; I122-M201 HydrophobicContact CD1-CE 3.66Å; I122-M201 HydrophobicContact CD1-SD 4.24Å
123R94.3Very high87.8Confident34 Ų3451.8 Ų51.813%0.12824%0.235CC..EExtended strand (participates in β ladder)trans-120.7109.6172.5-175.2-166.5-175.6-153.4-1.1106.3V107 V177 Y179 C212 D214 D216 L220V107-R123 HydrophobicContact CG1-CB 3.69Å; V107-R123 HydrophobicContact CG2-CB 4Å; R123-V177 HydrophobicContact CG-CG1 3.97Å; R123-Y179 HydrophobicContact CB-CD1 3.93Å; R123-Y179 HydrophobicContact CB-CE1 3.69Å; R123-Y179 HydrophobicContact CG-CD1 4.14Å; R123-Y179 HydrophobicContact CG-CE1 3.64Å; R123-Y179 PolarHBondContact NE-OH 2.93Å; R123-C212 PolarHBondContact NE-SG 3.17Å; R123-C212 PolarHBondContact NH2-SG 3.1Å; R123-C212 VanDerWaalsContact NH2-SG 3.42Å; R123-D214 IonicContact CZ-OD2 3.96Å; R123-D214 IonicContact NE-OD2 2.64Å; R123-D214 IonicContact NH2-OD2 3.08Å; R123-D216 PolarHBondContact NH1-O 2.77Å; R123-D216 VanDerWaalsContact NH1-O 3.12Å; R123-D216 PolarHBondContact NH2-O 2.73Å; R123-L220 HydrophobicContact CG-CD1 4.21Å; R123-L220 WeakPolarHBondContact O-CD2 3.47Å
124A94.1Very high87.6Confident0 Ų055.2 Ų55.20%026%0.256CS..EExtended strand (participates in β ladder)trans-145.4151.5-170.900000111.5I110 I122 L149 V150 D151 V177 Y178I110-A124 HydrophobicContact CD1-CB 4.07Å; I122-A124 HydrophobicContact CD1-CB 4.49Å; A124-L149 HydrophobicContact CB-CB 3.75Å; A124-L149 HydrophobicContact CB-CD1 4.44Å; A124-L149 HydrophobicContact CB-CD2 4.15Å; A124-L149 HydrophobicContact CB-CG 4.33Å; A124-V150 WeakPolarHBondContact CA-O 3.33Å; A124-V150 WeakPolarHBondContact CB-O 2.8Å; A124-D151 HydrophobicContact CB-CB 4.37Å; A124-V177 WeakPolarHBondContact O-CA 3.34Å; A124-Y178 PolarHBondContact N-O 2.97Å; A124-Y178 VanDerWaalsContact N-O 3.08Å; A124-Y178 PolarHBondContact O-N 3.28Å
125R93.4Very high87.5Confident23 Ų2357.4 Ų57.49%0.08726%0.261CS..EExtended strand (participates in β ladder)trans-86.4139.2175.3-169.5-176.9-62-101.87.8109.5S127 L149 V150 N175 K176 V177 P221R125-S127 PolarHBondContact O-N 3.22Å; R125-L149 CarbonylContact O-C 3.52Å; R125-L149 WeakPolarHBondContact O-CA 3.13Å; R125-V150 HydrophobicContact CB-CG1 4.09Å; R125-V150 PolarHBondContact N-O 3.47Å; R125-V150 PolarHBondContact O-N 3.36Å; R125-N175 PolarHBondContact NH1-O 3.07Å; R125-K176 WeakPolarHBondContact CA-O 3.17Å; R125-V177 HydrophobicContact CB-CG2 4.09Å; R125-V177 HydrophobicContact CG-CG2 4.19Å; R125-P221 WeakPolarHBondContact CD-O 3.42Å; R125-P221 PolarHBondContact NE-O 3.16Å
126V91.9Very high87.2Confident0 Ų059.1 Ų59.10%028%0.275CS..EExtended strand (participates in β ladder)trans-75.8111.3172.3177.90000108.7F147 T148 L149 I172 E173 V174 N175 K176 Y178V126-F147 HydrophobicContact CG1-CB 4.3Å; V126-F147 HydrophobicContact CG2-CD2 4.28Å; V126-T148 CarbonylContact C-O 3.56Å; V126-T148 WeakPolarHBondContact CA-O 3.08Å; V126-L149 HydrophobicContact CG2-CD2 3.69Å; V126-I172 HydrophobicContact CG1-CG2 4.11Å; V126-I172 HydrophobicContact CG2-CG2 3.94Å; V126-E173 WeakPolarHBondContact CB-O 3.47Å; V126-V174 HydrophobicContact CG1-CG2 4.44Å; V126-N175 PolarHBondContact O-N 2.68Å; V126-K176 PolarHBondContact N-O 3.46Å; V126-Y178 HydrophobicContact CG2-CD2 3.56Å; V126-Y178 HydrophobicContact CG2-CE2 3.63Å
127S87.3Confident87.2Confident5 Ų556.2 Ų56.24%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-87.3-31.8178.964.40000112.8R125 T148 T223R125-S127 PolarHBondContact O-N 3.22Å; S127-T148 PolarHBondContact N-O 3.37Å; S127-T148 WeakPolarHBondContact OG-CB 3.31Å; S127-T148 WeakPolarHBondContact OG-CG2 3.27Å; S127-T148 PolarHBondContact OG-O 3.42Å; S127-T223 WeakPolarHBondContact CA-OG1 3.29Å
128Q84.3Confident87.2Confident22 Ų2262 Ų6210%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-145.8149-177.6-63177.7-7.400110.7F147 T148 K304Q128-F147 CarbonylContact O-C 3.53Å; Q128-F147 WeakPolarHBondContact O-CA 3.45Å; Q128-F147 WeakPolarHBondContact O-CB 3.09Å; Q128-T148 PolarHBondContact O-N 3.08Å; Q128-K304 HydrophobicContact CG-CD 4.07Å
129K88.1Confident87.3Confident45 Ų4558.9 Ų58.920%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-139.7132.4172.8-178.1-175.8178.2-175.70109.2F147 Y169 I172 V174K129-F147 HydrophobicContact CB-CB 4.4Å; K129-Y169 VanDerWaalsContact CE-CE2 3.48Å; K129-Y169 WeakPolarHBondContact CE-O 3.38Å; K129-Y169 PolarHBondContact NZ-O 2.68Å; K129-I172 HydrophobicContact CD-CG2 4.43Å; K129-I172 WeakPolarHBondContact CD-O 3.42Å; K129-I172 WeakPolarHBondContact CE-O 3.42Å; K129-I172 PolarHBondContact NZ-O 3.05Å; K129-V174 HydrophobicContact CB-CG2 3.78Å
130S85.8Confident87.3Confident8 Ų857.2 Ų57.26%0.05629%0.288CS..PPolyproline II helixtrans-87.1157.2175.380.50000111.6N146 Y169S130-N146 WeakPolarHBondContact CB-OD1 3.36Å; S130-N146 PolarHBondContact N-O 3.45Å; S130-N146 PolarHBondContact OG-N 2.84Å; S130-N146 PolarHBondContact OG-O 3.25Å; S130-Y169 WeakPolarHBondContact O-CE2 2.92Å
131A83.8Confident87.2Confident26 Ų2662.8 Ų62.822%0.21532%0.318CS..PPolyproline II helixtrans-61.2162.4161.500000111.9E289A131-E289 HydrophobicContact CB-CG 4.47Å
132I88.6Confident87.1Confident44 Ų4462.1 Ų62.123%0.22632%0.316CS..PPolyproline II helixtrans-69.1134.6172.5-60.3177.7000109K143 V165 Y169I132-K143 HydrophobicContact CG2-CB 3.94Å; I132-K143 HydrophobicContact CG2-CD 4.37Å; I132-V165 HydrophobicContact CD1-CG1 3.72Å; I132-V165 HydrophobicContact CG1-CG1 3.92Å; I132-V165 HydrophobicContact CG2-CG1 4.28Å; I132-Y169 HydrophobicContact CD1-CD1 3.85Å; I132-Y169 HydrophobicContact CD1-CD2 4.14Å; I132-Y169 HydrophobicContact CD1-CE1 3.92Å; I132-Y169 HydrophobicContact CD1-CE2 4.22Å; I132-Y169 HydrophobicContact CD1-CG 3.95Å; I132-Y169 HydrophobicContact CG1-CD1 4.2Å; I132-Y169 HydrophobicContact CG1-CD2 3.69Å; I132-Y169 HydrophobicContact CG1-CE1 4Å; I132-Y169 HydrophobicContact CG1-CE2 3.48Å; I132-Y169 VanDerWaalsContact CG1-CE2 3.48Å; I132-Y169 HydrophobicContact CG1-CG 4.04Å
133R83.6Confident87Confident110 Ų11064.9 Ų64.942%0.41533%0.328SS..EExtended strand (participates in β ladder)trans-116.9132.2176.9-71.6177.4168.9-121.6-21.1110.4K143 L144 P320R133-K143 CarbonylContact O-C 3.55Å; R133-K143 WeakPolarHBondContact O-CA 3.3Å; R133-L144 HydrophobicContact CB-CD1 4.08Å; R133-L144 HydrophobicContact CB-CG 4.21Å; R133-L144 PolarHBondContact N-O 3.16Å; R133-L144 PolarHBondContact O-N 3.16Å; R133-P320 VanDerWaalsContact NH1-CG 3.35Å
134T85.6Confident87Confident78 Ų7865 Ų6548%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-102.4138.8175.3580000111.5G142 K143 R264T134-G142 WeakPolarHBondContact CA-O 3.44Å; T134-K143 HydrophobicContact CG2-CB 4.45Å; T134-R264 PolarHBondContact O-NH1 2.78Å; T134-R264 PolarHBondContact O-NH2 2.8Å; T134-R264 PolarHBondContact OG1-NH2 2.81Å; T134-R264 VanDerWaalsContact OG1-NH2 3.16Å
135W84.6Confident86.9Confident87 Ų8765 Ų6533%0.3333%0.331SS..EExtended strand (participates in β ladder)trans-130.9149.2175.159.2-92.4000109.7K137 R140 D141 G142W135-K137 HydrophobicContact CE3-CB 4.03Å; W135-K137 HydrophobicContact CZ3-CB 3.99Å; W135-R140 WeakPolarHBondContact CZ3-O 3.34Å; W135-D141 WeakPolarHBondContact O-CA 3.32Å; W135-G142 PolarHBondContact N-O 2.79Å; W135-G142 PolarHBondContact O-N 3.5Å
136S80.8Confident86.8Confident84 Ų8464.9 Ų64.959%0.58733%0.332SS*.EExtended strand (participates in β ladder)trans-129.9122.4173-173.30000108.1R140 D141S136-R140 WeakPolarHBondContact CA-O 3.11Å; S136-D141 WeakPolarHBondContact CB-OD1 3.25Å; S136-D141 PolarHBondContact OG-OD1 3.08Å
137K82.4Confident86.9Confident143 Ų14364.9 Ų64.962%0.62233%0.332SS*.EExtended strand (participates in β ladder)trans-136.9121.6178.5-172.9177.1-179.9-179.90109.3W135 G139 R140W135-K137 HydrophobicContact CE3-CB 4.03Å; W135-K137 HydrophobicContact CZ3-CB 3.99Å; K137-G139 VanDerWaalsContact C-N 3.27Å; K137-G139 PolarHBondContact O-N 3.43Å; K137-R140 PolarHBondContact N-O 3.44Å; K137-R140 PolarHBondContact O-N 2.91Å
138Q79.2Confident87Confident187 Ų18764.7 Ų64.787%0.87433%0.331SS*.THydrogen-bonded Turntrans52.841.5176.9-62.6174.3-14.400113.3R140Q138-R140 PolarHBondContact O-N 3.1Å
139G80.1Confident87.4Confident74 Ų7463.7 Ų63.776%0.76333%0.326SS*.THydrogen-bonded Turntrans75.24.3-179.400000115.1K137K137-G139 VanDerWaalsContact C-N 3.27Å; K137-G139 PolarHBondContact O-N 3.43Å
140R85.7Confident87.6Confident198 Ų19862.2 Ų62.275%0.74732%0.321SS*.EExtended strand (participates in β ladder)trans-98.5121.2167.2-64.4-173.6-170.3-177.73.2109.4W135 S136 K137 Q138W135-R140 WeakPolarHBondContact CZ3-O 3.34Å; S136-R140 WeakPolarHBondContact CA-O 3.11Å; K137-R140 PolarHBondContact N-O 3.44Å; K137-R140 PolarHBondContact O-N 2.91Å; Q138-R140 PolarHBondContact O-N 3.1Å
141D89.5Confident87.9Confident128 Ų12862 Ų6268%0.68432%0.319SS*.EExtended strand (participates in β ladder)trans-92.3141.4170.8-63.1-20.3000109.3W135 S136W135-D141 WeakPolarHBondContact O-CA 3.32Å; S136-D141 WeakPolarHBondContact CB-OD1 3.25Å; S136-D141 PolarHBondContact OG-OD1 3.08Å
142G91.7Very high88.2Confident9 Ų966.8 Ų66.89%0.09334%0.337CS..EExtended strand (participates in β ladder)trans-148.9165.4177.700000111.7T134 W135 N162T134-G142 WeakPolarHBondContact CA-O 3.44Å; W135-G142 PolarHBondContact N-O 2.79Å; W135-G142 PolarHBondContact O-N 3.5Å; G142-N162 WeakPolarHBondContact CA-OD1 3.45Å
143K93.4Very high88.2Confident57 Ų5766.6 Ų66.625%0.24834%0.34CS..EExtended strand (participates in β ladder)trans-130.6153.8176.161.6-176.9174-171.80110.8I132 R133 T134 F161 N162 V165 D166I132-K143 HydrophobicContact CG2-CB 3.94Å; I132-K143 HydrophobicContact CG2-CD 4.37Å; R133-K143 CarbonylContact O-C 3.55Å; R133-K143 WeakPolarHBondContact O-CA 3.3Å; T134-K143 HydrophobicContact CG2-CB 4.45Å; K143-F161 CarbonylContact O-C 3.48Å; K143-F161 WeakPolarHBondContact O-CA 3.47Å; K143-N162 WeakPolarHBondContact CE-O 3.41Å; K143-N162 PolarHBondContact N-OD1 3.07Å; K143-N162 PolarHBondContact O-N 3.2Å; K143-N162 PolarHBondContact O-OD1 3.5Å; K143-V165 HydrophobicContact CD-CB 4.19Å; K143-V165 HydrophobicContact CD-CG1 4.14Å; K143-V165 HydrophobicContact CG-CB 4.16Å; K143-V165 HydrophobicContact CG-CG1 4.43Å; K143-V165 HydrophobicContact CG-CG2 4Å; K143-D166 WeakPolarHBondContact CE-OD2 3.42Å; K143-D166 IonicContact NZ-OD1 3.59Å; K143-D166 PolarHBondContact NZ-OD1 2.71Å; K143-D166 IonicContact NZ-OD2 3.76Å; K143-D166 PolarHBondContact NZ-OD2 2.93Å
144L92.9Very high88.3Confident37 Ų3762.4 Ų62.419%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-146.6156174.16787.2000110.4R133 T159 G160 F161R133-L144 HydrophobicContact CB-CD1 4.08Å; R133-L144 HydrophobicContact CB-CG 4.21Å; R133-L144 PolarHBondContact N-O 3.16Å; R133-L144 PolarHBondContact O-N 3.16Å; L144-T159 HydrophobicContact CB-CG2 4.5Å; L144-G160 WeakPolarHBondContact CA-O 3.5Å; L144-G160 WeakPolarHBondContact CB-O 3.35Å; L144-F161 HydrophobicContact CB-CD1 3.75Å; L144-F161 HydrophobicContact CB-CE1 3.96Å; L144-F161 HydrophobicContact CB-CG 4.43Å; L144-F161 HydrophobicContact CD2-CD1 4.21Å; L144-F161 HydrophobicContact CD2-CE1 3.69Å; L144-F161 HydrophobicContact CG-CE1 4.47Å
145F92.5Very high88.6Confident0 Ų062.5 Ų62.50%033%0.326CS..EExtended strand (participates in β ladder)trans-139.8158.8163.682.4-71.2000108.5F147 T159 G160 V165 F168 Y169F145-F147 HydrophobicContact CD2-CD1 4.18Å; F145-F147 AromaticContact CE2-CD1 3.48Å; F145-F147 HydrophobicContact CE2-CD1 3.48Å; F145-F147 VanDerWaalsContact CE2-CD1 3.48Å; F145-F147 AromaticContact CE2-CE1 3.94Å; F145-F147 HydrophobicContact CE2-CE1 3.94Å; F145-F147 HydrophobicContact CE2-CG 4.47Å; F145-F147 AromaticContact CZ-CD1 3.97Å; F145-F147 HydrophobicContact CZ-CD1 3.97Å; F145-F147 AromaticContact CZ-CE1 3.94Å; F145-F147 HydrophobicContact CZ-CE1 3.94Å; F145-T159 WeakPolarHBondContact O-CA 3.27Å; F145-G160 PolarHBondContact N-O 3.17Å; F145-G160 PolarHBondContact O-N 3.45Å; F145-V165 HydrophobicContact CD1-CB 4.05Å; F145-V165 HydrophobicContact CD1-CG1 3.94Å; F145-V165 HydrophobicContact CD1-CG2 3.74Å; F145-V165 HydrophobicContact CE1-CB 4.44Å; F145-V165 HydrophobicContact CE1-CG2 4.37Å; F145-F168 HydrophobicContact CE1-CB 4.46Å; F145-F168 HydrophobicContact CZ-CB 4.04Å; F145-Y169 HydrophobicContact CB-CD2 3.82Å; F145-Y169 HydrophobicContact CB-CE2 4Å; F145-Y169 HydrophobicContact CD1-CD2 4.09Å; F145-Y169 AromaticContact CD2-CD2 3.5Å; F145-Y169 HydrophobicContact CD2-CD2 3.5Å; F145-Y169 HydrophobicContact CD2-CE2 4.04Å; F145-Y169 AromaticContact CE2-CD2 3.99Å; F145-Y169 HydrophobicContact CE2-CD2 3.99Å; F145-Y169 AromaticContact CG-CD2 3.54Å; F145-Y169 HydrophobicContact CG-CD2 3.54Å; F145-Y169 HydrophobicContact CG-CE2 4.15Å; F145-Y169 HydrophobicContact CZ-CD2 4.49Å
146N91.7Very high88.9Confident20 Ų2058.4 Ų58.411%0.10731%0.31CS..EExtended strand (participates in β ladder)trans-128.8157.317361.268.6000111.2S130 R157 V158S130-N146 WeakPolarHBondContact CB-OD1 3.36Å; S130-N146 PolarHBondContact N-O 3.45Å; S130-N146 PolarHBondContact OG-N 2.84Å; S130-N146 PolarHBondContact OG-O 3.25Å; N146-R157 HydrophobicContact CB-CG 4.33Å; N146-R157 VanDerWaalsContact CG-NH1 3.27Å; N146-R157 PolarHBondContact ND2-NH1 3.4Å; N146-R157 PolarHBondContact OD1-NH1 3.2Å; N146-V158 CarbonylContact C-O 3.54Å; N146-V158 WeakPolarHBondContact CA-O 3.25Å; N146-V158 WeakPolarHBondContact CB-O 3.05Å
147F92.5Very high89.5Confident1 Ų154.8 Ų54.80%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-145.3154.6172.559.8-82.6000109.2V126 Q128 K129 F145 L149 V158 I172 L203V126-F147 HydrophobicContact CG1-CB 4.3Å; V126-F147 HydrophobicContact CG2-CD2 4.28Å; Q128-F147 CarbonylContact O-C 3.53Å; Q128-F147 WeakPolarHBondContact O-CA 3.45Å; Q128-F147 WeakPolarHBondContact O-CB 3.09Å; K129-F147 HydrophobicContact CB-CB 4.4Å; F145-F147 HydrophobicContact CD2-CD1 4.18Å; F145-F147 AromaticContact CE2-CD1 3.48Å; F145-F147 HydrophobicContact CE2-CD1 3.48Å; F145-F147 VanDerWaalsContact CE2-CD1 3.48Å; F145-F147 AromaticContact CE2-CE1 3.94Å; F145-F147 HydrophobicContact CE2-CE1 3.94Å; F145-F147 HydrophobicContact CE2-CG 4.47Å; F145-F147 AromaticContact CZ-CD1 3.97Å; F145-F147 HydrophobicContact CZ-CD1 3.97Å; F145-F147 AromaticContact CZ-CE1 3.94Å; F145-F147 HydrophobicContact CZ-CE1 3.94Å; F147-L149 HydrophobicContact CD2-CD2 4.11Å; F147-L149 HydrophobicContact CD2-CG 4.08Å; F147-L149 HydrophobicContact CE2-CD1 4.09Å; F147-L149 HydrophobicContact CE2-CD2 3.99Å; F147-L149 HydrophobicContact CE2-CG 3.92Å; F147-V158 HydrophobicContact CD1-CB 4.12Å; F147-V158 HydrophobicContact CD1-CG1 4.45Å; F147-V158 HydrophobicContact CD2-CB 4.09Å; F147-V158 HydrophobicContact CD2-CG2 4.27Å; F147-V158 HydrophobicContact CE1-CB 3.74Å; F147-V158 HydrophobicContact CE1-CG1 3.63Å; F147-V158 HydrophobicContact CE2-CB 3.71Å; F147-V158 HydrophobicContact CE2-CG1 4.07Å; F147-V158 HydrophobicContact CE2-CG2 3.78Å; F147-V158 HydrophobicContact CG-CB 4.3Å; F147-V158 HydrophobicContact CZ-CB 3.53Å; F147-V158 HydrophobicContact CZ-CG1 3.41Å; F147-V158 VanDerWaalsContact CZ-CG1 3.41Å; F147-V158 HydrophobicContact CZ-CG2 4.02Å; F147-V158 PolarHBondContact N-O 3.48Å; F147-V158 PolarHBondContact O-N 3.19Å; F147-I172 HydrophobicContact CB-CG2 4.32Å; F147-I172 HydrophobicContact CD1-CG2 4.42Å; F147-I172 HydrophobicContact CD2-CG2 4.18Å; F147-I172 HydrophobicContact CE1-CG1 4.47Å; F147-I172 HydrophobicContact CE2-CD1 4.45Å; F147-I172 HydrophobicContact CG-CG2 4.08Å; F147-I172 HydrophobicContact CZ-CD1 4.35Å; F147-I172 HydrophobicContact CZ-CG1 4.45Å; F147-L203 HydrophobicContact CE1-CD1 3.88Å; F147-L203 HydrophobicContact CZ-CD1 4.09Å
148T90.9Very high90.1Very high1 Ų148 Ų481%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-109.5131.4179.9-54.90000108.6V126 S127 Q128 E155 I156 T195V126-T148 CarbonylContact C-O 3.56Å; V126-T148 WeakPolarHBondContact CA-O 3.08Å; S127-T148 PolarHBondContact N-O 3.37Å; S127-T148 WeakPolarHBondContact OG-CB 3.31Å; S127-T148 WeakPolarHBondContact OG-CG2 3.27Å; S127-T148 PolarHBondContact OG-O 3.42Å; Q128-T148 PolarHBondContact O-N 3.08Å; T148-E155 HydrophobicContact CG2-CB 4.13Å; T148-I156 WeakPolarHBondContact CA-O 3.15Å; T148-T195 HydrophobicContact CG2-CG2 3.88Å
149L93.1Very high90.8Very high0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-103142.8174.5-69.6175.2000109.5I110 I122 A124 R125 V126 F147 E155 I156 V158 V180I110-L149 HydrophobicContact CD1-CB 4.37Å; I122-L149 HydrophobicContact CD1-CD1 3.72Å; A124-L149 HydrophobicContact CB-CB 3.75Å; A124-L149 HydrophobicContact CB-CD1 4.44Å; A124-L149 HydrophobicContact CB-CD2 4.15Å; A124-L149 HydrophobicContact CB-CG 4.33Å; R125-L149 CarbonylContact O-C 3.52Å; R125-L149 WeakPolarHBondContact O-CA 3.13Å; V126-L149 HydrophobicContact CG2-CD2 3.69Å; F147-L149 HydrophobicContact CD2-CD2 4.11Å; F147-L149 HydrophobicContact CD2-CG 4.08Å; F147-L149 HydrophobicContact CE2-CD1 4.09Å; F147-L149 HydrophobicContact CE2-CD2 3.99Å; F147-L149 HydrophobicContact CE2-CG 3.92Å; L149-E155 CarbonylContact O-C 3.54Å; L149-E155 VanDerWaalsContact O-CA 3.24Å; L149-E155 WeakPolarHBondContact O-CA 3.49Å; L149-I156 HydrophobicContact CB-CG2 4.06Å; L149-I156 PolarHBondContact N-O 3.17Å; L149-I156 PolarHBondContact O-N 3.33Å; L149-V158 HydrophobicContact CD1-CG2 3.6Å; L149-V158 HydrophobicContact CG-CG2 4.02Å; L149-V180 HydrophobicContact CD1-CB 4.38Å; L149-V180 HydrophobicContact CD1-CG2 3.78Å
150V91.9Very high91.5Very high14 Ų1436.2 Ų36.29%0.08518%0.18CC..EExtended strand (participates in β ladder)trans-131.2136.3175.868.80000110.9A124 R125 G154 E155 P221A124-V150 WeakPolarHBondContact CA-O 3.33Å; A124-V150 WeakPolarHBondContact CB-O 2.8Å; R125-V150 HydrophobicContact CB-CG1 4.09Å; R125-V150 PolarHBondContact N-O 3.47Å; R125-V150 PolarHBondContact O-N 3.36Å; V150-G154 WeakPolarHBondContact CA-O 3.47Å; V150-E155 HydrophobicContact CB-CG 4.1Å; V150-E155 HydrophobicContact CG2-CG 3.75Å; V150-P221 HydrophobicContact CB-CG 4.42Å; V150-P221 HydrophobicContact CG1-CG 4.15Å; V150-P221 HydrophobicContact CG2-CG 3.59Å
151D91.9Very high91.9Very high5 Ų529.8 Ų29.83%0.02716%0.158CC..  trans-131.6-174.1169.475.14.7000110.1P109 I110 A124 S153 G154 L220 P221P109-D151 WeakPolarHBondContact CA-OD2 3.35Å; I110-D151 WeakPolarHBondContact CB-OD2 3.39Å; I110-D151 HydrophobicContact CD1-CB 3.96Å; I110-D151 HydrophobicContact CG1-CB 4.44Å; I110-D151 VanDerWaalsContact CG1-OD2 3.27Å; I110-D151 WeakPolarHBondContact CG1-OD2 3.35Å; I110-D151 PolarHBondContact N-OD2 2.89Å; A124-D151 HydrophobicContact CB-CB 4.37Å; D151-S153 PolarHBondContact O-N 3.1Å; D151-S153 VanDerWaalsContact O-N 3.15Å; D151-S153 WeakPolarHBondContact OD1-CA 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 3.47Å; D151-S153 PolarHBondContact OD1-OG 3.07Å; D151-S153 PolarHBondContact OD2-OG 3.3Å; D151-G154 PolarHBondContact N-O 2.87Å; D151-G154 VanDerWaalsContact N-O 3.1Å; D151-G154 PolarHBondContact OD1-N 3.08Å; D151-L220 HydrophobicContact CB-CD2 3.92Å; D151-P221 VanDerWaalsContact O-CG 3.32Å; D151-P221 WeakPolarHBondContact O-CG 3.38Å
152E89.1Confident92.2Very high125 Ų12526.9 Ų26.958%0.58414%0.142SC*.SBendtrans-61.5-17.8179.266.6-81.5-175.100114.7
153S88.8Confident92.4Very high41 Ų4129.5 Ų29.529%0.28716%0.162SC..SBendtrans-100.3-26.5-174.177.20000113.8P109 I110 Q111 D151P109-S153 WeakPolarHBondContact CB-OG 3.5Å; I110-S153 PolarHBondContact N-OG 2.98Å; Q111-S153 PolarHBondContact N-OG 3.38Å; D151-S153 PolarHBondContact O-N 3.1Å; D151-S153 VanDerWaalsContact O-N 3.15Å; D151-S153 WeakPolarHBondContact OD1-CA 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 3.47Å; D151-S153 PolarHBondContact OD1-OG 3.07Å; D151-S153 PolarHBondContact OD2-OG 3.3Å
154G86.4Confident92.5Very high21 Ų2128.3 Ų28.322%0.21616%0.158CC..  trans165.8-165.6179.100000114.4I110 V150 D151I110-G154 WeakPolarHBondContact CD1-O 3.24Å; V150-G154 WeakPolarHBondContact CA-O 3.47Å; D151-G154 PolarHBondContact N-O 2.87Å; D151-G154 VanDerWaalsContact N-O 3.1Å; D151-G154 PolarHBondContact OD1-N 3.08Å
155E90.8Very high92.6Very high81 Ų8126.6 Ų26.638%0.37915%0.149SC..EExtended strand (participates in β ladder)trans-113.6149.8178.6-66.8-177.817700110.8T148 L149 V150 T195 N197T148-E155 HydrophobicContact CG2-CB 4.13Å; L149-E155 CarbonylContact O-C 3.54Å; L149-E155 VanDerWaalsContact O-CA 3.24Å; L149-E155 WeakPolarHBondContact O-CA 3.49Å; V150-E155 HydrophobicContact CB-CG 4.1Å; V150-E155 HydrophobicContact CG2-CG 3.75Å; E155-T195 HydrophobicContact CB-CG2 4.29Å; E155-N197 VanDerWaalsContact O-CB 3.28Å; E155-N197 WeakPolarHBondContact O-CB 3.21Å; E155-N197 PolarHBondContact O-ND2 2.86Å
156I92Very high92.7Very high1 Ų131.8 Ų31.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-143.9137.3169.7-165.2159.5000112I110 I122 T148 L149 L185 M201I110-I156 HydrophobicContact CD1-CG2 3.89Å; I110-I156 HydrophobicContact CG1-CG2 3.96Å; I110-I156 HydrophobicContact CG2-CB 3.71Å; I110-I156 HydrophobicContact CG2-CG2 3.93Å; I122-I156 HydrophobicContact CD1-CG2 4.38Å; T148-I156 WeakPolarHBondContact CA-O 3.15Å; L149-I156 HydrophobicContact CB-CG2 4.06Å; L149-I156 PolarHBondContact N-O 3.17Å; L149-I156 PolarHBondContact O-N 3.33Å; I156-L185 HydrophobicContact CD1-CD1 3.61Å; I156-M201 HydrophobicContact CD1-CE 3.86Å; I156-M201 HydrophobicContact CD1-CG 3.87Å; I156-M201 HydrophobicContact CG1-CG 4.32Å; I156-M201 HydrophobicContact CG2-CE 4.18Å; I156-M201 HydrophobicContact CG2-SD 4.47Å
157R92.2Very high92.9Very high8 Ų835.8 Ų35.83%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-83.9133.8175.1-175.6176.8-69.4-99.9-6.8110.4N146 N193 T195 E200 M201N146-R157 HydrophobicContact CB-CG 4.33Å; N146-R157 VanDerWaalsContact CG-NH1 3.27Å; N146-R157 PolarHBondContact ND2-NH1 3.4Å; N146-R157 PolarHBondContact OD1-NH1 3.2Å; R157-N193 WeakPolarHBondContact CB-ND2 3.32Å; R157-N193 PolarHBondContact NE-OD1 2.96Å; R157-T195 HydrophobicContact CB-CG2 4.39Å; R157-E200 HydrophobicContact CB-CB 4.47Å; R157-M201 PolarHBondContact O-N 2.87Å
158V95Very high93Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-116.3135.3174.2-170.90000109.1N146 F147 L149 M201 L203N146-V158 CarbonylContact C-O 3.54Å; N146-V158 WeakPolarHBondContact CA-O 3.25Å; N146-V158 WeakPolarHBondContact CB-O 3.05Å; F147-V158 HydrophobicContact CD1-CB 4.12Å; F147-V158 HydrophobicContact CD1-CG1 4.45Å; F147-V158 HydrophobicContact CD2-CB 4.09Å; F147-V158 HydrophobicContact CD2-CG2 4.27Å; F147-V158 HydrophobicContact CE1-CB 3.74Å; F147-V158 HydrophobicContact CE1-CG1 3.63Å; F147-V158 HydrophobicContact CE2-CB 3.71Å; F147-V158 HydrophobicContact CE2-CG1 4.07Å; F147-V158 HydrophobicContact CE2-CG2 3.78Å; F147-V158 HydrophobicContact CG-CB 4.3Å; F147-V158 HydrophobicContact CZ-CB 3.53Å; F147-V158 HydrophobicContact CZ-CG1 3.41Å; F147-V158 VanDerWaalsContact CZ-CG1 3.41Å; F147-V158 HydrophobicContact CZ-CG2 4.02Å; F147-V158 PolarHBondContact N-O 3.48Å; F147-V158 PolarHBondContact O-N 3.19Å; L149-V158 HydrophobicContact CD1-CG2 3.6Å; L149-V158 HydrophobicContact CG-CG2 4.02Å; V158-M201 CarbonylContact C-O 3.58Å; V158-M201 WeakPolarHBondContact CA-O 3.21Å; V158-M201 HydrophobicContact CB-CB 4.31Å; V158-M201 HydrophobicContact CG1-CB 4.08Å; V158-M201 HydrophobicContact CG2-CB 4.06Å; V158-M201 HydrophobicContact CG2-SD 4.11Å; V158-L203 HydrophobicContact CG1-CD1 4.03Å; V158-L203 HydrophobicContact CG1-CD2 3.8Å; V158-L203 HydrophobicContact CG1-CG 3.62Å
159T94.5Very high93.2Very high13 Ų1338.2 Ų38.28%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-121.9130.7177.2-53.60000110.6L144 F145 F161 M201 T202 L203L144-T159 HydrophobicContact CB-CG2 4.5Å; F145-T159 WeakPolarHBondContact O-CA 3.27Å; T159-F161 HydrophobicContact CG2-CD2 4.12Å; T159-F161 HydrophobicContact CG2-CE1 4.34Å; T159-F161 HydrophobicContact CG2-CE2 3.52Å; T159-F161 HydrophobicContact CG2-CZ 3.65Å; T159-M201 PolarHBondContact N-O 2.79Å; T159-T202 WeakPolarHBondContact O-CA 2.98Å; T159-L203 PolarHBondContact O-N 3.01Å
160G95.2Very high93.2Very high0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-106.1139.3168.100000110.5L144 F145 V165L144-G160 WeakPolarHBondContact CA-O 3.5Å; L144-G160 WeakPolarHBondContact CB-O 3.35Å; F145-G160 PolarHBondContact N-O 3.17Å; F145-G160 PolarHBondContact O-N 3.45Å; G160-V165 WeakPolarHBondContact O-CG2 3.39Å
161F95Very high93.3Very high64 Ų6447.1 Ų47.128%0.28125%0.248SC..EExtended strand (participates in β ladder)trans-115.2148.2175.8-67.3-89.3000109.8K143 L144 T159 A163 E164 T202K143-F161 CarbonylContact O-C 3.48Å; K143-F161 WeakPolarHBondContact O-CA 3.47Å; L144-F161 HydrophobicContact CB-CD1 3.75Å; L144-F161 HydrophobicContact CB-CE1 3.96Å; L144-F161 HydrophobicContact CB-CG 4.43Å; L144-F161 HydrophobicContact CD2-CD1 4.21Å; L144-F161 HydrophobicContact CD2-CE1 3.69Å; L144-F161 HydrophobicContact CG-CE1 4.47Å; T159-F161 HydrophobicContact CG2-CD2 4.12Å; T159-F161 HydrophobicContact CG2-CE1 4.34Å; T159-F161 HydrophobicContact CG2-CE2 3.52Å; T159-F161 HydrophobicContact CG2-CZ 3.65Å; F161-A163 PolarHBondContact O-N 2.87Å; F161-E164 WeakPolarHBondContact O-CB 3.36Å; F161-E164 PolarHBondContact O-N 3.41Å; F161-T202 HydrophobicContact CD2-CG2 3.73Å; F161-T202 HydrophobicContact CE2-CG2 3.67Å
162N94.9Very high93.4Very high67 Ų6746.9 Ų46.936%0.35825%0.247SC..THydrogen-bonded Turntrans43.9-109.2169.3-54.3-34.5000114.7G142 K143 E164 V165 D166G142-N162 WeakPolarHBondContact CA-OD1 3.45Å; K143-N162 WeakPolarHBondContact CE-O 3.41Å; K143-N162 PolarHBondContact N-OD1 3.07Å; K143-N162 PolarHBondContact O-N 3.2Å; K143-N162 PolarHBondContact O-OD1 3.5Å; N162-E164 VanDerWaalsContact C-N 3.26Å; N162-E164 PolarHBondContact O-N 2.86Å; N162-V165 WeakPolarHBondContact O-CA 3.32Å; N162-V165 VanDerWaalsContact O-CB 3.22Å; N162-V165 WeakPolarHBondContact O-CB 3.47Å; N162-V165 PolarHBondContact O-N 3.02Å; N162-D166 PolarHBondContact O-N 2.8Å
163A95.6Very high93.5Very high63 Ų6345.2 Ų45.252%0.52124%0.239SC..Hα-helixtrans-62.4-32-176.600000112.6F161 V165 D166 K167F161-A163 PolarHBondContact O-N 2.87Å; A163-V165 VanDerWaalsContact C-N 3.26Å; A163-V165 PolarHBondContact O-N 2.93Å; A163-D166 PolarHBondContact O-N 3.48Å; A163-K167 WeakPolarHBondContact O-CB 3.03Å; A163-K167 PolarHBondContact O-N 3.22Å
164E95.8Very high93.4Very high33 Ų3345 Ų4515%0.15424%0.236CC..Hα-helixtrans-70.2-24.8174.9-69.171.8-164.400111.9F161 N162 F168 L203 H204 S205F161-E164 WeakPolarHBondContact O-CB 3.36Å; F161-E164 PolarHBondContact O-N 3.41Å; N162-E164 VanDerWaalsContact C-N 3.26Å; N162-E164 PolarHBondContact O-N 2.86Å; E164-F168 HydrophobicContact CB-CD2 4.11Å; E164-F168 HydrophobicContact CB-CE2 4.4Å; E164-F168 HydrophobicContact CG-CE2 4.33Å; E164-F168 WeakPolarHBondContact O-CB 3.26Å; E164-F168 VanDerWaalsContact O-CD2 3.31Å; E164-F168 WeakPolarHBondContact O-CD2 3.3Å; E164-F168 PolarHBondContact O-N 2.9Å; E164-L203 HydrophobicContact CB-CB 4.19Å; E164-L203 HydrophobicContact CG-CB 4.05Å; E164-H204 VanDerWaalsContact OE1-CA 3.31Å; E164-H204 WeakPolarHBondContact OE1-CA 3.44Å; E164-S205 PolarHBondContact OE1-N 2.82Å
165V95.4Very high93.4Very high1 Ų145.8 Ų45.81%0.00624%0.235CC..Hα-helixtrans-66.1-50.2168.5-175.30000109.7I132 K143 F145 G160 N162 A163 K167 F168 Y169I132-V165 HydrophobicContact CD1-CG1 3.72Å; I132-V165 HydrophobicContact CG1-CG1 3.92Å; I132-V165 HydrophobicContact CG2-CG1 4.28Å; K143-V165 HydrophobicContact CD-CB 4.19Å; K143-V165 HydrophobicContact CD-CG1 4.14Å; K143-V165 HydrophobicContact CG-CB 4.16Å; K143-V165 HydrophobicContact CG-CG1 4.43Å; K143-V165 HydrophobicContact CG-CG2 4Å; F145-V165 HydrophobicContact CD1-CB 4.05Å; F145-V165 HydrophobicContact CD1-CG1 3.94Å; F145-V165 HydrophobicContact CD1-CG2 3.74Å; F145-V165 HydrophobicContact CE1-CB 4.44Å; F145-V165 HydrophobicContact CE1-CG2 4.37Å; G160-V165 WeakPolarHBondContact O-CG2 3.39Å; N162-V165 WeakPolarHBondContact O-CA 3.32Å; N162-V165 VanDerWaalsContact O-CB 3.22Å; N162-V165 WeakPolarHBondContact O-CB 3.47Å; N162-V165 PolarHBondContact O-N 3.02Å; A163-V165 VanDerWaalsContact C-N 3.26Å; A163-V165 PolarHBondContact O-N 2.93Å; V165-K167 PolarHBondContact O-N 2.72Å; V165-F168 PolarHBondContact O-N 2.93Å; V165-Y169 HydrophobicContact CG1-CG 4.47Å; V165-Y169 WeakPolarHBondContact O-CB 3.3Å; V165-Y169 PolarHBondContact O-N 2.85Å
166D94.3Very high93.4Very high108 Ų10846.6 Ų46.658%0.57824%0.238SC*.Hα-helixtrans-60.1-36.4178.8-66.5-53.1000112.5K143 N162 A163K143-D166 WeakPolarHBondContact CE-OD2 3.42Å; K143-D166 IonicContact NZ-OD1 3.59Å; K143-D166 PolarHBondContact NZ-OD1 2.71Å; K143-D166 IonicContact NZ-OD2 3.76Å; K143-D166 PolarHBondContact NZ-OD2 2.93Å; N162-D166 PolarHBondContact O-N 2.8Å; A163-D166 PolarHBondContact O-N 3.48Å
167K95.2Very high93.5Very high105 Ų10547 Ų4746%0.45724%0.24SC..Hα-helixtrans-76.1-41.3-178-174.1176.9175.6-171.50113.4A163 V165 S205A163-K167 WeakPolarHBondContact O-CB 3.03Å; A163-K167 PolarHBondContact O-N 3.22Å; V165-K167 PolarHBondContact O-N 2.72Å; K167-S205 PolarHBondContact NZ-O 2.88Å
168F96Very high93.6Very high3 Ų346.8 Ų46.81%0.01324%0.24CC..Hα-helixtrans-113-21.5-166.9-62.4-65.2000114.4F145 E164 V165 D170 M171 I172 L203 V209F145-F168 HydrophobicContact CE1-CB 4.46Å; F145-F168 HydrophobicContact CZ-CB 4.04Å; E164-F168 HydrophobicContact CB-CD2 4.11Å; E164-F168 HydrophobicContact CB-CE2 4.4Å; E164-F168 HydrophobicContact CG-CE2 4.33Å; E164-F168 WeakPolarHBondContact O-CB 3.26Å; E164-F168 VanDerWaalsContact O-CD2 3.31Å; E164-F168 WeakPolarHBondContact O-CD2 3.3Å; E164-F168 PolarHBondContact O-N 2.9Å; V165-F168 PolarHBondContact O-N 2.93Å; F168-D170 PolarHBondContact O-N 3.17Å; F168-M171 HydrophobicContact CD1-CE 3.82Å; F168-M171 HydrophobicContact CD1-SD 4.3Å; F168-M171 HydrophobicContact CE1-CE 4.25Å; F168-M171 PolarHBondContact O-N 2.67Å; F168-I172 HydrophobicContact CB-CG1 4.33Å; F168-I172 VanDerWaalsContact O-CG1 3.23Å; F168-I172 WeakPolarHBondContact O-CG1 3.18Å; F168-I172 PolarHBondContact O-N 3.01Å; F168-L203 HydrophobicContact CB-CD1 4.42Å; F168-L203 HydrophobicContact CD2-CD1 3.63Å; F168-L203 HydrophobicContact CE2-CB 4.4Å; F168-L203 HydrophobicContact CE2-CD1 4.08Å; F168-L203 HydrophobicContact CG-CD1 4.13Å; F168-V209 HydrophobicContact CD1-CB 3.92Å; F168-V209 HydrophobicContact CD1-CG2 3.98Å; F168-V209 HydrophobicContact CE1-CB 3.73Å; F168-V209 HydrophobicContact CE1-CG2 3.73Å; F168-V209 HydrophobicContact CZ-CG2 4.12Å
169Y93.8Very high93.6Very high50 Ų5047.8 Ų47.820%0.19624%0.243CC..THydrogen-bonded Turntrans-57.5-51-171.1-174.6-99.3000112.3K129 S130 I132 F145 V165 M171 I172K129-Y169 VanDerWaalsContact CE-CE2 3.48Å; K129-Y169 WeakPolarHBondContact CE-O 3.38Å; K129-Y169 PolarHBondContact NZ-O 2.68Å; S130-Y169 WeakPolarHBondContact O-CE2 2.92Å; I132-Y169 HydrophobicContact CD1-CD1 3.85Å; I132-Y169 HydrophobicContact CD1-CD2 4.14Å; I132-Y169 HydrophobicContact CD1-CE1 3.92Å; I132-Y169 HydrophobicContact CD1-CE2 4.22Å; I132-Y169 HydrophobicContact CD1-CG 3.95Å; I132-Y169 HydrophobicContact CG1-CD1 4.2Å; I132-Y169 HydrophobicContact CG1-CD2 3.69Å; I132-Y169 HydrophobicContact CG1-CE1 4Å; I132-Y169 HydrophobicContact CG1-CE2 3.48Å; I132-Y169 VanDerWaalsContact CG1-CE2 3.48Å; I132-Y169 HydrophobicContact CG1-CG 4.04Å; F145-Y169 HydrophobicContact CB-CD2 3.82Å; F145-Y169 HydrophobicContact CB-CE2 4Å; F145-Y169 HydrophobicContact CD1-CD2 4.09Å; F145-Y169 AromaticContact CD2-CD2 3.5Å; F145-Y169 HydrophobicContact CD2-CD2 3.5Å; F145-Y169 HydrophobicContact CD2-CE2 4.04Å; F145-Y169 AromaticContact CE2-CD2 3.99Å; F145-Y169 HydrophobicContact CE2-CD2 3.99Å; F145-Y169 AromaticContact CG-CD2 3.54Å; F145-Y169 HydrophobicContact CG-CD2 3.54Å; F145-Y169 HydrophobicContact CG-CE2 4.15Å; F145-Y169 HydrophobicContact CZ-CD2 4.49Å; V165-Y169 HydrophobicContact CG1-CG 4.47Å; V165-Y169 WeakPolarHBondContact O-CB 3.3Å; V165-Y169 PolarHBondContact O-N 2.85Å; Y169-M171 VanDerWaalsContact C-N 3.31Å; Y169-M171 PolarHBondContact O-N 3.02Å; Y169-I172 PolarHBondContact O-N 3.28Å
170D93.5Very high93.7Very high133 Ų13347.1 Ų47.171%0.71124%0.24SC*.THydrogen-bonded Turntrans-72.7-25.4-178-63.8-31.1000113.1F168F168-D170 PolarHBondContact O-N 3.17Å
171M93.9Very high93.6Very high68 Ų6847.7 Ų47.734%0.33524%0.244SC..THydrogen-bonded Turntrans-73.9-31.9178.6-171.3-162.5-48.500112.6F168 Y169 Y178F168-M171 HydrophobicContact CD1-CE 3.82Å; F168-M171 HydrophobicContact CD1-SD 4.3Å; F168-M171 HydrophobicContact CE1-CE 4.25Å; F168-M171 PolarHBondContact O-N 2.67Å; Y169-M171 VanDerWaalsContact C-N 3.31Å; Y169-M171 PolarHBondContact O-N 3.02Å; M171-Y178 PolarHBondContact O-OH 3.42Å
172I94.5Very high93.5Very high0 Ų051.3 Ų51.30%026%0.255CS..  trans-85.8117.5-175.3-62.8-63.1000110.2V126 K129 F147 F168 Y169 Y178 V209V126-I172 HydrophobicContact CG1-CG2 4.11Å; V126-I172 HydrophobicContact CG2-CG2 3.94Å; K129-I172 HydrophobicContact CD-CG2 4.43Å; K129-I172 WeakPolarHBondContact CD-O 3.42Å; K129-I172 WeakPolarHBondContact CE-O 3.42Å; K129-I172 PolarHBondContact NZ-O 3.05Å; F147-I172 HydrophobicContact CB-CG2 4.32Å; F147-I172 HydrophobicContact CD1-CG2 4.42Å; F147-I172 HydrophobicContact CD2-CG2 4.18Å; F147-I172 HydrophobicContact CE1-CG1 4.47Å; F147-I172 HydrophobicContact CE2-CD1 4.45Å; F147-I172 HydrophobicContact CG-CG2 4.08Å; F147-I172 HydrophobicContact CZ-CD1 4.35Å; F147-I172 HydrophobicContact CZ-CG1 4.45Å; F168-I172 HydrophobicContact CB-CG1 4.33Å; F168-I172 VanDerWaalsContact O-CG1 3.23Å; F168-I172 WeakPolarHBondContact O-CG1 3.18Å; F168-I172 PolarHBondContact O-N 3.01Å; Y169-I172 PolarHBondContact O-N 3.28Å; I172-Y178 WeakPolarHBondContact CA-OH 3.45Å; I172-Y178 HydrophobicContact CD1-CD1 4.03Å; I172-Y178 HydrophobicContact CD1-CD2 4.35Å; I172-Y178 HydrophobicContact CD1-CE1 3.94Å; I172-Y178 HydrophobicContact CD1-CE2 4.27Å; I172-Y178 HydrophobicContact CD1-CG 4.24Å; I172-V209 HydrophobicContact CD1-CG1 3.61Å
173E90.5Very high93.4Very high89 Ų8948.6 Ų48.642%0.41624%0.242SC..  trans-121.4143176.9-64.9175-133.300110.6V126 K176 Y178V126-E173 WeakPolarHBondContact CB-O 3.47Å; E173-K176 HydrophobicContact CB-CB 4.48Å; E173-K176 HydrophobicContact CB-CD 3.92Å; E173-K176 HydrophobicContact CB-CG 4.08Å; E173-K176 HydrophobicContact CG-CD 4.44Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 IonicContact OE1-NZ 3.88Å; E173-K176 PolarHBondContact OE1-NZ 3.49Å; E173-K176 WeakPolarHBondContact OE2-CE 3.48Å; E173-K176 IonicContact OE2-NZ 2.74Å; E173-K176 PolarHBondContact OE2-NZ 2.94Å; E173-Y178 PolarHBondContact N-OH 3.2Å
174V87.6Confident93.3Very high36 Ų3649.9 Ų49.922%0.21824%0.24CC..THydrogen-bonded Turntrans-63.5143.5176.6-179.30000109.7V126 K129 K176V126-V174 HydrophobicContact CG1-CG2 4.44Å; K129-V174 HydrophobicContact CB-CG2 3.78Å; V174-K176 PolarHBondContact O-N 3.37Å
175N85.9Confident93.1Very high38 Ų3849 Ų4920%0.20324%0.236CC..THydrogen-bonded Turntrans67.3-2.7-175.9-61.5-39.2000116.8R125 V126 T223R125-N175 PolarHBondContact NH1-O 3.07Å; V126-N175 PolarHBondContact O-N 2.68Å; N175-T223 PolarHBondContact OD1-OG1 3.19Å
176K91Very high92.9Very high98 Ų9852.5 Ų52.543%0.42625%0.251SS..  trans-81.7153.2167.8-68.3-164.7-179.9168.70111R125 V126 E173 V174 Y178R125-K176 WeakPolarHBondContact CA-O 3.17Å; V126-K176 PolarHBondContact N-O 3.46Å; E173-K176 HydrophobicContact CB-CB 4.48Å; E173-K176 HydrophobicContact CB-CD 3.92Å; E173-K176 HydrophobicContact CB-CG 4.08Å; E173-K176 HydrophobicContact CG-CD 4.44Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 IonicContact OE1-NZ 3.88Å; E173-K176 PolarHBondContact OE1-NZ 3.49Å; E173-K176 WeakPolarHBondContact OE2-CE 3.48Å; E173-K176 IonicContact OE2-NZ 2.74Å; E173-K176 PolarHBondContact OE2-NZ 2.94Å; V174-K176 PolarHBondContact O-N 3.37Å; K176-Y178 HydrophobicContact CB-CD2 4.43Å; K176-Y178 HydrophobicContact CB-CE2 3.52Å
177V93.6Very high92.6Very high11 Ų1151 Ų517%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-103.3135.7-179.2-179.60000109.1R123 A124 R125 C212 T217 L220R123-V177 HydrophobicContact CG-CG1 3.97Å; A124-V177 WeakPolarHBondContact O-CA 3.34Å; R125-V177 HydrophobicContact CB-CG2 4.09Å; R125-V177 HydrophobicContact CG-CG2 4.19Å; V177-C212 HydrophobicContact CB-CB 3.91Å; V177-C212 HydrophobicContact CG1-CB 3.64Å; V177-C212 WeakPolarHBondContact O-CB 3.47Å; V177-C212 PolarHBondContact O-N 2.87Å; V177-T217 HydrophobicContact CB-CG2 4.07Å; V177-T217 HydrophobicContact CG1-CG2 4.28Å; V177-T217 HydrophobicContact CG2-CG2 3.75Å; V177-L220 HydrophobicContact CB-CD1 4.32Å; V177-L220 HydrophobicContact CG1-CD1 3.41Å; V177-L220 VanDerWaalsContact CG1-CD1 3.41Å; V177-L220 HydrophobicContact CG2-CD1 3.87Å
178Y95.2Very high92.1Very high3 Ų346.7 Ų46.71%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-131.6148.6-179.5-60.8-97000111A124 V126 M171 I172 E173 K176 V209 L210 P211A124-Y178 PolarHBondContact N-O 2.97Å; A124-Y178 VanDerWaalsContact N-O 3.08Å; A124-Y178 PolarHBondContact O-N 3.28Å; V126-Y178 HydrophobicContact CG2-CD2 3.56Å; V126-Y178 HydrophobicContact CG2-CE2 3.63Å; M171-Y178 PolarHBondContact O-OH 3.42Å; I172-Y178 WeakPolarHBondContact CA-OH 3.45Å; I172-Y178 HydrophobicContact CD1-CD1 4.03Å; I172-Y178 HydrophobicContact CD1-CD2 4.35Å; I172-Y178 HydrophobicContact CD1-CE1 3.94Å; I172-Y178 HydrophobicContact CD1-CE2 4.27Å; I172-Y178 HydrophobicContact CD1-CG 4.24Å; E173-Y178 PolarHBondContact N-OH 3.2Å; K176-Y178 HydrophobicContact CB-CD2 4.43Å; K176-Y178 HydrophobicContact CB-CE2 3.52Å; Y178-V209 HydrophobicContact CD1-CG1 3.85Å; Y178-V209 HydrophobicContact CG-CG1 4.1Å; Y178-L210 CarbonylContact C-O 3.52Å; Y178-L210 VanDerWaalsContact CA-O 3.27Å; Y178-L210 WeakPolarHBondContact CA-O 3.44Å; Y178-P211 HydrophobicContact CD1-CB 4.44Å; Y178-P211 HydrophobicContact CD1-CG 4.32Å; Y178-P211 HydrophobicContact CE1-CB 4.37Å; Y178-P211 HydrophobicContact CE1-CG 4.08Å
179Y95.1Very high91.3Very high20 Ų2049.8 Ų49.88%0.07826%0.255CS..EExtended strand (participates in β ladder)trans-85.6126159.3-66.8-79.7000109.2P105 V107 T121 I122 R123 V209 L210 C212 D214P105-Y179 HydrophobicContact CG-CD1 4Å; P105-Y179 HydrophobicContact CG-CE1 4.2Å; V107-Y179 HydrophobicContact CG2-CD1 4.46Å; V107-Y179 HydrophobicContact CG2-CE1 3.92Å; T121-Y179 HydrophobicContact CG2-CD1 3.97Å; I122-Y179 CarbonylContact O-C 3.53Å; I122-Y179 VanDerWaalsContact O-CA 3.26Å; I122-Y179 WeakPolarHBondContact O-CA 3.43Å; R123-Y179 HydrophobicContact CB-CD1 3.93Å; R123-Y179 HydrophobicContact CB-CE1 3.69Å; R123-Y179 HydrophobicContact CG-CD1 4.14Å; R123-Y179 HydrophobicContact CG-CE1 3.64Å; R123-Y179 PolarHBondContact NE-OH 2.93Å; Y179-V209 CarbonylContact O-C 3.5Å; Y179-V209 VanDerWaalsContact O-CA 3.29Å; Y179-V209 WeakPolarHBondContact O-CA 3.49Å; Y179-L210 PolarHBondContact N-O 3.39Å; Y179-L210 PolarHBondContact O-N 2.96Å; Y179-C212 HydrophobicContact CD2-CB 4.04Å; Y179-C212 HydrophobicContact CE2-CB 3.67Å; Y179-C212 VanDerWaalsContact CE2-SG 3.55Å; Y179-D214 PolarHBondContact OH-OD2 2.82Å
180V95.4Very high90.5Very high0 Ų052.3 Ų52.30%027%0.267CS..EExtended strand (participates in β ladder)trans-119.2129.2174.5-178.40000109.1W120 T121 I122 L149 Q208 V209W120-V180 HydrophobicContact CZ3-CG1 4.39Å; W120-V180 WeakPolarHBondContact CZ3-O 3.18Å; T121-V180 CarbonylContact C-O 3.5Å; T121-V180 WeakPolarHBondContact CA-O 2.9Å; I122-V180 HydrophobicContact CD1-CB 4.3Å; I122-V180 HydrophobicContact CG1-CB 3.84Å; I122-V180 PolarHBondContact N-O 3.41Å; I122-V180 PolarHBondContact O-N 2.95Å; L149-V180 HydrophobicContact CD1-CB 4.38Å; L149-V180 HydrophobicContact CD1-CG2 3.78Å; V180-Q208 WeakPolarHBondContact CA-O 3.32Å; V180-V209 HydrophobicContact CG1-CG2 4.35Å; V180-V209 HydrophobicContact CG2-CG1 3.94Å; V180-V209 HydrophobicContact CG2-CG2 4.18Å
181S94.1Very high89.2Confident12 Ų1253.3 Ų53.38%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-142.9159.8175.971.40000111.4W120 T121 A183 Q208W120-S181 VanDerWaalsContact O-CB 3.31Å; W120-S181 WeakPolarHBondContact O-CB 3.18Å; T121-S181 WeakPolarHBondContact OG1-CB 3.41Å; S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 2.48Å; S181-Q208 PolarHBondContact N-O 3.4Å; S181-Q208 PolarHBondContact O-N 3.34Å
182R92Very high87.9Confident140 Ų14056.7 Ų56.753%0.52828%0.28SS..SBendtrans56.141.1176-49176.7-173.9-169.81.1112.7H204 D206 S207R182-H204 PolarHBondContact O-CE1 2.88Å; R182-H204 PolarHBondContact O-NE2 2.98Å; R182-D206 WeakPolarHBondContact CD-O 3.43Å; R182-S207 VanDerWaalsContact O-CA 3.24Å; R182-S207 WeakPolarHBondContact O-CA 3.47Å; R182-S207 WeakPolarHBondContact O-CB 3.45Å; R182-S207 PolarHBondContact O-OG 3.14Å
183A93.6Very high86.7Confident9 Ų956.9 Ų56.97%0.07428%0.281CS..PPolyproline II helixtrans-95.1156.7166.800000109.6W120 S181 M201 L203W120-A183 HydrophobicContact CH2-CB 3.79Å; W120-A183 HydrophobicContact CZ2-CB 4.16Å; W120-A183 WeakPolarHBondContact CZ2-O 3.49Å; S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 2.48Å; A183-M201 HydrophobicContact CB-CB 4.24Å; A183-M201 HydrophobicContact CB-SD 4.31Å; A183-L203 HydrophobicContact CB-CD2 4.12Å
184N92.9Very high85.7Confident90 Ų9056.6 Ų56.648%0.48129%0.286SS..EExtended strand (participates in β ladder)trans-81.1123.4174.5-175-55.3000109.3M201 T202N184-M201 CarbonylContact O-C 3.48Å; N184-M201 VanDerWaalsContact O-CA 3.31Å; N184-M201 WeakPolarHBondContact O-CA 3.32Å; N184-T202 PolarHBondContact N-O 2.9Å; N184-T202 PolarHBondContact O-N 3.27Å
185L92.3Very high85.2Confident14 Ų1455.2 Ų55.27%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-97.7125.7175.4-162.578.1000109.9L113 N114 P115 I156 Y199 M201L113-L185 HydrophobicContact CB-CD2 3.88Å; N114-L185 VanDerWaalsContact CA-CD2 3.47Å; P115-L185 HydrophobicContact CG-CD2 4.43Å; I156-L185 HydrophobicContact CD1-CD1 3.61Å; L185-Y199 HydrophobicContact CD2-CD2 4.07Å; L185-Y199 HydrophobicContact CD2-CG 3.94Å; L185-Y199 HydrophobicContact CG-CG 4.22Å; L185-M201 HydrophobicContact CD1-CE 4.19Å; L185-M201 HydrophobicContact CD1-CG 3.59Å
186K90.4Very high84.7Confident75 Ų7561 Ų6133%0.32631%0.308SS..EExtended strand (participates in β ladder)trans-133.3166.8179.566.3-178.1-172.4-178.70110.6A188 Y199 E200 T202K186-A188 PolarHBondContact O-N 3.27Å; K186-Y199 CarbonylContact O-C 3.59Å; K186-Y199 WeakPolarHBondContact O-CA 3.24Å; K186-Y199 WeakPolarHBondContact O-CB 3.31Å; K186-E200 HydrophobicContact CD-CG 4.39Å; K186-E200 VanDerWaalsContact CE-CG 3.44Å; K186-E200 WeakPolarHBondContact CE-OE1 3.16Å; K186-E200 HydrophobicContact CG-CG 3.86Å; K186-E200 PolarHBondContact N-O 3.24Å; K186-E200 IonicContact NZ-OE1 2.72Å; K186-E200 PolarHBondContact NZ-OE1 2.82Å; K186-E200 VanDerWaalsContact NZ-OE1 3.08Å; K186-E200 PolarHBondContact O-N 3.24Å; K186-T202 WeakPolarHBondContact CE-OG1 3.43Å; K186-T202 PolarHBondContact NZ-OG1 2.88Å
187A89Confident84.3Confident76 Ų7656.7 Ų56.763%0.62829%0.29SS*.EExtended strand (participates in β ladder)trans-59.6134.317300000111
188A84.2Confident84Confident16 Ų1661.4 Ų61.413%0.13232%0.315CS..  trans-68.2132-178.600000111.1K186 K190 N197 D198 E200K186-A188 PolarHBondContact O-N 3.27Å; A188-K190 PolarHBondContact O-N 2.59Å; A188-K190 VanDerWaalsContact O-N 3.14Å; A188-N197 WeakPolarHBondContact CB-O 3.34Å; A188-D198 WeakPolarHBondContact CB-O 3.46Å; A188-D198 PolarHBondContact N-O 2.9Å; A188-E200 HydrophobicContact CB-CB 4.29Å; A188-E200 HydrophobicContact CB-CG 4.49Å
189N79.1Confident83.8Confident68 Ų6864.6 Ų64.636%0.36433%0.327SS..  trans-82.994.9171.2-171.6-19000109.5Q191 F192 N193 E200N189-Q191 PolarHBondContact O-N 3.09Å; N189-Q191 VanDerWaalsContact OD1-CB 3.28Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.37Å; N189-Q191 WeakPolarHBondContact OD1-CG 3.47Å; N189-Q191 PolarHBondContact OD1-N 3.28Å; N189-Q191 VanDerWaalsContact OD1-N 3.09Å; N189-F192 HydrophobicContact CB-CD2 4.45Å; N189-F192 WeakPolarHBondContact ND2-CD2 3.4Å; N189-F192 PolarHBondContact O-N 2.94Å; N189-N193 WeakPolarHBondContact O-CB 3.37Å; N189-N193 PolarHBondContact O-N 2.82Å; N189-E200 PolarHBondContact N-OE2 3.1Å
190K76.3Confident83.6Confident102 Ų10264.4 Ų64.444%0.44333%0.327SS..THydrogen-bonded Turntrans-61.1-11.7-178.1-60.4-64.3-167.8178.80114.3A188 F192 T195 N197A188-K190 PolarHBondContact O-N 2.59Å; A188-K190 VanDerWaalsContact O-N 3.14Å; K190-F192 VanDerWaalsContact C-N 3.31Å; K190-T195 PolarHBondContact NZ-O 3.38Å; K190-N197 PolarHBondContact NZ-O 2.62Å
191Q66.7Low83.6Confident154 Ų15464.4 Ų64.472%0.7233%0.327SS*.THydrogen-bonded Turntrans-70.5-27.5171.2-60.1178.3-7.400112.7N189N189-Q191 PolarHBondContact O-N 3.09Å; N189-Q191 VanDerWaalsContact OD1-CB 3.28Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.37Å; N189-Q191 WeakPolarHBondContact OD1-CG 3.47Å; N189-Q191 PolarHBondContact OD1-N 3.28Å; N189-Q191 VanDerWaalsContact OD1-N 3.09Å
192F66.5Low83.6Confident140 Ų14064.9 Ų64.961%0.61433%0.33SS*.THydrogen-bonded Turntrans-122.7-12-175.8-56.6-73.8000113.5N189 K190N189-F192 HydrophobicContact CB-CD2 4.45Å; N189-F192 WeakPolarHBondContact ND2-CD2 3.4Å; N189-F192 PolarHBondContact O-N 2.94Å; K190-F192 VanDerWaalsContact C-N 3.31Å
193N70.3Confident83.8Confident4 Ų458.4 Ų58.42%0.02131%0.305CS..  trans-114.7113.9-176.8-171.5-4.7000110.9R157 N189 T195 E200R157-N193 WeakPolarHBondContact CB-ND2 3.32Å; R157-N193 PolarHBondContact NE-OD1 2.96Å; N189-N193 WeakPolarHBondContact O-CB 3.37Å; N189-N193 PolarHBondContact O-N 2.82Å; N193-T195 PolarHBondContact ND2-OG1 3.31Å; N193-T195 WeakPolarHBondContact OD1-CB 3.48Å; N193-T195 WeakPolarHBondContact OD1-CG2 3.44Å; N193-T195 PolarHBondContact OD1-N 3.41Å; N193-T195 PolarHBondContact OD1-OG1 2.82Å; N193-E200 PolarHBondContact ND2-OE2 2.94Å; N193-E200 VanDerWaalsContact ND2-OE2 3.17Å
194T68.9Low83.8Confident83 Ų8361 Ų6151%0.50932%0.316SS..  trans-87.4-3.3-18050.10000114.1T321T194-T321 HydrophobicContact CG2-CG2 3.87Å
195T75.9Confident83.8Confident6 Ų660.6 Ų60.64%0.03732%0.32CS..SBendtrans-70.5147.1177.561.30000110.5T148 E155 R157 K190 N193 N197T148-T195 HydrophobicContact CG2-CG2 3.88Å; E155-T195 HydrophobicContact CB-CG2 4.29Å; R157-T195 HydrophobicContact CB-CG2 4.39Å; K190-T195 PolarHBondContact NZ-O 3.38Å; N193-T195 PolarHBondContact ND2-OG1 3.31Å; N193-T195 WeakPolarHBondContact OD1-CB 3.48Å; N193-T195 WeakPolarHBondContact OD1-CG2 3.44Å; N193-T195 PolarHBondContact OD1-N 3.41Å; N193-T195 PolarHBondContact OD1-OG1 2.82Å; T195-N197 PolarHBondContact O-N 3.25Å
196N77.1Confident83.9Confident159 Ų15964.8 Ų64.885%0.8534%0.342SS*.SBendtrans-77.218.6177.5-162.127.3000113.3
197N81.8Confident84.1Confident8 Ų861.2 Ų61.24%0.04333%0.327CS..  trans-97.4136.3-178.4-161.5-37.5000110.6I110 E155 A188 K190 T195 Y199I110-N197 WeakPolarHBondContact CG2-ND2 3.35Å; E155-N197 VanDerWaalsContact O-CB 3.28Å; E155-N197 WeakPolarHBondContact O-CB 3.21Å; E155-N197 PolarHBondContact O-ND2 2.86Å; A188-N197 WeakPolarHBondContact CB-O 3.34Å; K190-N197 PolarHBondContact NZ-O 2.62Å; T195-N197 PolarHBondContact O-N 3.25Å; N197-Y199 PolarHBondContact O-N 3.44Å; N197-Y199 PolarHBondContact OD1-N 2.81Å; N197-Y199 PolarHBondContact OD1-O 3.01Å
198D86.5Confident84.3Confident110 Ų11061.4 Ų61.459%0.58832%0.315SS*.SBendtrans-71.6-15.2177.1-66.7-26.6000112.6A188A188-D198 WeakPolarHBondContact CB-O 3.46Å; A188-D198 PolarHBondContact N-O 2.9Å
199Y91Very high84.8Confident71 Ų7160.9 Ų60.928%0.27831%0.31SS..EExtended strand (participates in β ladder)trans-119.4156.4179.9-55.4-59.5000112.8N114 P115 L185 K186 N197N114-Y199 HydrophobicContact CB-CE2 4.31Å; P115-Y199 HydrophobicContact CG-CD1 3.94Å; P115-Y199 HydrophobicContact CG-CE1 3.66Å; L185-Y199 HydrophobicContact CD2-CD2 4.07Å; L185-Y199 HydrophobicContact CD2-CG 3.94Å; L185-Y199 HydrophobicContact CG-CG 4.22Å; K186-Y199 CarbonylContact O-C 3.59Å; K186-Y199 WeakPolarHBondContact O-CA 3.24Å; K186-Y199 WeakPolarHBondContact O-CB 3.31Å; N197-Y199 PolarHBondContact O-N 3.44Å; N197-Y199 PolarHBondContact OD1-N 2.81Å; N197-Y199 PolarHBondContact OD1-O 3.01Å
200E92Very high85.5Confident15 Ų1562.4 Ų62.47%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-136.1153169.970-174.1-15100110.2R157 K186 A188 N189 N193R157-E200 HydrophobicContact CB-CB 4.47Å; K186-E200 HydrophobicContact CD-CG 4.39Å; K186-E200 VanDerWaalsContact CE-CG 3.44Å; K186-E200 WeakPolarHBondContact CE-OE1 3.16Å; K186-E200 HydrophobicContact CG-CG 3.86Å; K186-E200 PolarHBondContact N-O 3.24Å; K186-E200 IonicContact NZ-OE1 2.72Å; K186-E200 PolarHBondContact NZ-OE1 2.82Å; K186-E200 VanDerWaalsContact NZ-OE1 3.08Å; K186-E200 PolarHBondContact O-N 3.24Å; A188-E200 HydrophobicContact CB-CB 4.29Å; A188-E200 HydrophobicContact CB-CG 4.49Å; N189-E200 PolarHBondContact N-OE2 3.1Å; N193-E200 PolarHBondContact ND2-OE2 2.94Å; N193-E200 VanDerWaalsContact ND2-OE2 3.17Å
201M94.2Very high86.3Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-99.8143.8-179.1-64.7-177.6-179.100111.7L113 W120 I122 I156 R157 V158 T159 A183 N184 L185L113-M201 HydrophobicContact CD1-CE 3.08Å; W120-M201 HydrophobicContact CH2-CE 3.38Å; W120-M201 HydrophobicContact CH2-SD 3.59Å; W120-M201 VanDerWaalsContact CH2-SD 3.59Å; W120-M201 HydrophobicContact CZ2-CE 4.02Å; W120-M201 HydrophobicContact CZ2-SD 4.41Å; W120-M201 HydrophobicContact CZ3-CE 3.69Å; W120-M201 HydrophobicContact CZ3-SD 4.21Å; I122-M201 HydrophobicContact CD1-CE 3.66Å; I122-M201 HydrophobicContact CD1-SD 4.24Å; I156-M201 HydrophobicContact CD1-CE 3.86Å; I156-M201 HydrophobicContact CD1-CG 3.87Å; I156-M201 HydrophobicContact CG1-CG 4.32Å; I156-M201 HydrophobicContact CG2-CE 4.18Å; I156-M201 HydrophobicContact CG2-SD 4.47Å; R157-M201 PolarHBondContact O-N 2.87Å; V158-M201 CarbonylContact C-O 3.58Å; V158-M201 WeakPolarHBondContact CA-O 3.21Å; V158-M201 HydrophobicContact CB-CB 4.31Å; V158-M201 HydrophobicContact CG1-CB 4.08Å; V158-M201 HydrophobicContact CG2-CB 4.06Å; V158-M201 HydrophobicContact CG2-SD 4.11Å; T159-M201 PolarHBondContact N-O 2.79Å; A183-M201 HydrophobicContact CB-CB 4.24Å; A183-M201 HydrophobicContact CB-SD 4.31Å; N184-M201 CarbonylContact O-C 3.48Å; N184-M201 VanDerWaalsContact O-CA 3.31Å; N184-M201 WeakPolarHBondContact O-CA 3.32Å; L185-M201 HydrophobicContact CD1-CE 4.19Å; L185-M201 HydrophobicContact CD1-CG 3.59Å
202T95.2Very high87.4Confident23 Ų2354.7 Ų54.714%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-120.8125.7167.5-56.50000109.4T159 F161 N184 K186T159-T202 WeakPolarHBondContact O-CA 2.98Å; F161-T202 HydrophobicContact CD2-CG2 3.73Å; F161-T202 HydrophobicContact CE2-CG2 3.67Å; N184-T202 PolarHBondContact N-O 2.9Å; N184-T202 PolarHBondContact O-N 3.27Å; K186-T202 WeakPolarHBondContact CE-OG1 3.43Å; K186-T202 PolarHBondContact NZ-OG1 2.88Å
203L95.8Very high88.3Confident4 Ų456.9 Ų56.92%0.02130%0.304CS..  trans-74.2145174.4-60.3175.4000109.9F147 V158 T159 E164 F168 A183 V209F147-L203 HydrophobicContact CE1-CD1 3.88Å; F147-L203 HydrophobicContact CZ-CD1 4.09Å; V158-L203 HydrophobicContact CG1-CD1 4.03Å; V158-L203 HydrophobicContact CG1-CD2 3.8Å; V158-L203 HydrophobicContact CG1-CG 3.62Å; T159-L203 PolarHBondContact O-N 3.01Å; E164-L203 HydrophobicContact CB-CB 4.19Å; E164-L203 HydrophobicContact CG-CB 4.05Å; F168-L203 HydrophobicContact CB-CD1 4.42Å; F168-L203 HydrophobicContact CD2-CD1 3.63Å; F168-L203 HydrophobicContact CE2-CB 4.4Å; F168-L203 HydrophobicContact CE2-CD1 4.08Å; F168-L203 HydrophobicContact CG-CD1 4.13Å; A183-L203 HydrophobicContact CB-CD2 4.12Å; L203-V209 HydrophobicContact CD2-CG2 4.1Å
204H93.7Very high88.7Confident64 Ų6459.2 Ų59.230%0.29632%0.316SS..  trans-138.3-175.8173.461.390.1000110.6E164 R182 D206 S207E164-H204 VanDerWaalsContact OE1-CA 3.31Å; E164-H204 WeakPolarHBondContact OE1-CA 3.44Å; R182-H204 PolarHBondContact O-CE1 2.88Å; R182-H204 PolarHBondContact O-NE2 2.98Å; H204-D206 VanDerWaalsContact C-N 3.25Å; H204-D206 PolarHBondContact ND1-N 2.89Å; H204-D206 PolarHBondContact O-N 2.95Å; H204-D206 VanDerWaalsContact O-N 3.13Å; H204-S207 PolarHBondContact CD2-OG 3.2Å; H204-S207 PolarHBondContact N-OG 3.07Å; H204-S207 VanDerWaalsContact O-CB 3.29Å; H204-S207 WeakPolarHBondContact O-CB 3.19Å; H204-S207 PolarHBondContact O-N 3.12Å; H204-S207 PolarHBondContact O-OG 2.96Å
205S93.3Very high88.6Confident81 Ų8161.3 Ų61.357%0.56634%0.335SS*.THydrogen-bonded Turntrans-50-42.7-174.658.90000114.2E164 K167E164-S205 PolarHBondContact OE1-N 2.82Å; K167-S205 PolarHBondContact NZ-O 2.88Å
206D93.4Very high88.6Confident101 Ų10165.5 Ų65.554%0.5436%0.357SS..THydrogen-bonded Turntrans-91.6-3.7-173.4-50.3-18.6000113R182 H204R182-D206 WeakPolarHBondContact CD-O 3.43Å; H204-D206 VanDerWaalsContact C-N 3.25Å; H204-D206 PolarHBondContact ND1-N 2.89Å; H204-D206 PolarHBondContact O-N 2.95Å; H204-D206 VanDerWaalsContact O-N 3.13Å
207S94.7Very high88.7Confident1 Ų159.7 Ų59.71%0.00733%0.327CS..  trans-63137.2175.5-58.10000110.2R182 H204R182-S207 VanDerWaalsContact O-CA 3.24Å; R182-S207 WeakPolarHBondContact O-CA 3.47Å; R182-S207 WeakPolarHBondContact O-CB 3.45Å; R182-S207 PolarHBondContact O-OG 3.14Å; H204-S207 PolarHBondContact CD2-OG 3.2Å; H204-S207 PolarHBondContact N-OG 3.07Å; H204-S207 VanDerWaalsContact O-CB 3.29Å; H204-S207 WeakPolarHBondContact O-CB 3.19Å; H204-S207 PolarHBondContact O-N 3.12Å; H204-S207 PolarHBondContact O-OG 2.96Å
208Q94Very high88.3Confident79 Ų7964.2 Ų64.237%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-115.5123.2178.5-59.4-177.5-6.500108.5V180 S181V180-Q208 WeakPolarHBondContact CA-O 3.32Å; S181-Q208 PolarHBondContact N-O 3.4Å; S181-Q208 PolarHBondContact O-N 3.34Å
209V95.1Very high88Confident6 Ų662.5 Ų62.54%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-123.6117.1171.2-171.40000107.2F168 I172 Y178 Y179 V180 L203F168-V209 HydrophobicContact CD1-CB 3.92Å; F168-V209 HydrophobicContact CD1-CG2 3.98Å; F168-V209 HydrophobicContact CE1-CB 3.73Å; F168-V209 HydrophobicContact CE1-CG2 3.73Å; F168-V209 HydrophobicContact CZ-CG2 4.12Å; I172-V209 HydrophobicContact CD1-CG1 3.61Å; Y178-V209 HydrophobicContact CD1-CG1 3.85Å; Y178-V209 HydrophobicContact CG-CG1 4.1Å; Y179-V209 CarbonylContact O-C 3.5Å; Y179-V209 VanDerWaalsContact O-CA 3.29Å; Y179-V209 WeakPolarHBondContact O-CA 3.49Å; V180-V209 HydrophobicContact CG1-CG2 4.35Å; V180-V209 HydrophobicContact CG2-CG1 3.94Å; V180-V209 HydrophobicContact CG2-CG2 4.18Å; L203-V209 HydrophobicContact CD2-CG2 4.1Å
210L94Very high87.6Confident99 Ų9959.4 Ų59.452%0.51834%0.344SS..EExtended strand (participates in β ladder)trans-124.7131-175.7-63173.8000109.2Y178 Y179Y178-L210 CarbonylContact C-O 3.52Å; Y178-L210 VanDerWaalsContact CA-O 3.27Å; Y178-L210 WeakPolarHBondContact CA-O 3.44Å; Y179-L210 PolarHBondContact N-O 3.39Å; Y179-L210 PolarHBondContact O-N 2.96Å
211P93.2Very high87.1Confident74 Ų7461 Ų6148%0.48136%0.356SS..EExtended strand (participates in β ladder)trans-55.6139170.6-2333.3000111.2Y178Y178-P211 HydrophobicContact CD1-CB 4.44Å; Y178-P211 HydrophobicContact CD1-CG 4.32Å; Y178-P211 HydrophobicContact CE1-CB 4.37Å; Y178-P211 HydrophobicContact CE1-CG 4.08Å
212C89.5Confident86.1Confident21 Ų2168 Ų6814%0.14239%0.388CS..  trans-85.9115.6173.7-178.80000108.9R123 V177 Y179 D214R123-C212 PolarHBondContact NE-SG 3.17Å; R123-C212 PolarHBondContact NH2-SG 3.1Å; R123-C212 VanDerWaalsContact NH2-SG 3.42Å; V177-C212 HydrophobicContact CB-CB 3.91Å; V177-C212 HydrophobicContact CG1-CB 3.64Å; V177-C212 WeakPolarHBondContact O-CB 3.47Å; V177-C212 PolarHBondContact O-N 2.87Å; Y179-C212 HydrophobicContact CD2-CB 4.04Å; Y179-C212 HydrophobicContact CE2-CB 3.67Å; Y179-C212 VanDerWaalsContact CE2-SG 3.55Å; C212-D214 VanDerWaalsContact C-N 3.34Å
213E85.4Confident85Confident185 Ų18567.7 Ų67.786%0.86439%0.387SS*.  trans-90-2177.6-61.7-175.617100112.7S215E213-S215 PolarHBondContact O-N 3.2Å
214D77.4Confident84Confident53 Ų5374.5 Ų74.528%0.28342%0.418SS..  trans-64.1132.1-178.9-63.8-6.7000110.7R123 Y179 C212 D216R123-D214 IonicContact CZ-OD2 3.96Å; R123-D214 IonicContact NE-OD2 2.64Å; R123-D214 IonicContact NH2-OD2 3.08Å; Y179-D214 PolarHBondContact OH-OD2 2.82Å; C212-D214 VanDerWaalsContact C-N 3.34Å; D214-D216 PolarHBondContact O-N 2.69Å
215S66.6Low83.5Confident128 Ų12873 Ų7390%0.89541%0.411SS*.SBendtrans-66.5-25.6177.653.70000113.3E213 T217E213-S215 PolarHBondContact O-N 3.2Å; S215-T217 PolarHBondContact O-N 2.99Å
216D77.9Confident83Confident94 Ų9474.5 Ų74.550%0.50341%0.413SS..  trans-10083.1-177.9-169.310.9000111.9R123 D214 S218R123-D216 PolarHBondContact NH1-O 2.77Å; R123-D216 VanDerWaalsContact NH1-O 3.12Å; R123-D216 PolarHBondContact NH2-O 2.73Å; D214-D216 PolarHBondContact O-N 2.69Å; D216-S218 WeakPolarHBondContact OD1-CB 3.21Å; D216-S218 PolarHBondContact OD1-N 2.97Å; D216-S218 PolarHBondContact OD1-OG 2.91Å
217T78Confident82.9Confident36 Ų3671.8 Ų71.822%0.22140%0.396CS..  trans-101.912169.454.50000112.2V177 S215 S219 L220V177-T217 HydrophobicContact CB-CG2 4.07Å; V177-T217 HydrophobicContact CG1-CG2 4.28Å; V177-T217 HydrophobicContact CG2-CG2 3.75Å; S215-T217 PolarHBondContact O-N 2.99Å; T217-S219 PolarHBondContact O-N 2.65Å; T217-L220 PolarHBondContact O-N 3.05Å; T217-L220 VanDerWaalsContact O-N 3.13Å
218S74.5Confident82.7Confident104 Ų10473.2 Ų73.273%0.72740%0.403SS*.THydrogen-bonded Turntrans-66.1-25.7-173.268.30000113.4D216 L220D216-S218 WeakPolarHBondContact OD1-CB 3.21Å; D216-S218 PolarHBondContact OD1-N 2.97Å; D216-S218 PolarHBondContact OD1-OG 2.91Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-L220 PolarHBondContact O-N 3.24Å
219S80.2Confident82.6Confident74 Ų7471.3 Ų71.352%0.51740%0.399SS..THydrogen-bonded Turntrans-72.8-19.817767.90000113.6T217T217-S219 PolarHBondContact O-N 2.65Å
220L82.1Confident82.5Confident5 Ų571 Ų713%0.02640%0.397CS..SBendtrans-88128.3-176.9-66.2173000110.1R123 D151 V177 T217 S218 E222R123-L220 HydrophobicContact CG-CD1 4.21Å; R123-L220 WeakPolarHBondContact O-CD2 3.47Å; D151-L220 HydrophobicContact CB-CD2 3.92Å; V177-L220 HydrophobicContact CB-CD1 4.32Å; V177-L220 HydrophobicContact CG1-CD1 3.41Å; V177-L220 VanDerWaalsContact CG1-CD1 3.41Å; V177-L220 HydrophobicContact CG2-CD1 3.87Å; T217-L220 PolarHBondContact O-N 3.05Å; T217-L220 VanDerWaalsContact O-N 3.13Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-L220 PolarHBondContact O-N 3.24Å; L220-E222 PolarHBondContact O-N 3.4Å
221P80.3Confident82.3Confident49 Ų4967.8 Ų67.832%0.31839%0.387SS..PPolyproline II helixtrans-58.2140.5-179.124.9-34.2000111.1R125 V150 D151R125-P221 WeakPolarHBondContact CD-O 3.42Å; R125-P221 PolarHBondContact NE-O 3.16Å; V150-P221 HydrophobicContact CB-CG 4.42Å; V150-P221 HydrophobicContact CG1-CG 4.15Å; V150-P221 HydrophobicContact CG2-CG 3.59Å; D151-P221 VanDerWaalsContact O-CG 3.32Å; D151-P221 WeakPolarHBondContact O-CG 3.38Å
222E74.6Confident82.2Confident146 Ų14670.7 Ų70.768%0.68239%0.392SS*.PPolyproline II helixtrans-82.3157170.4-63.9-169.1161.400110.4L220 H224L220-E222 PolarHBondContact O-N 3.4Å; E222-H224 PolarHBondContact O-N 3.02Å
223T71.4Confident82.2Confident18 Ų1869.8 Ų69.811%0.1139%0.386CS..  trans-64.599.1174.2-520000109.2S127 N175 F225 K304S127-T223 WeakPolarHBondContact CA-OG1 3.29Å; N175-T223 PolarHBondContact OD1-OG1 3.19Å; T223-F225 HydrophobicContact CG2-CE2 4.11Å; T223-F225 HydrophobicContact CG2-CZ 4.07Å; T223-K304 HydrophobicContact CG2-CD 3.85Å
224H75Confident82.1Confident146 Ų14665.2 Ų65.268%0.67637%0.368SS*.  trans-77.6133.4174.4-169.8-81000109.9E222 K304E222-H224 PolarHBondContact O-N 3.02Å; H224-K304 PolarHBondContact O-NZ 2.93Å
225F82.4Confident82.5Confident32 Ų3267.6 Ų67.614%0.1438%0.384CS..  trans-104.9127.5172.1-66.6-88.2000109.2T223 F227 D243 V302 K304 L325 I331T223-F225 HydrophobicContact CG2-CE2 4.11Å; T223-F225 HydrophobicContact CG2-CZ 4.07Å; F225-F227 HydrophobicContact CB-CD1 4.09Å; F225-F227 HydrophobicContact CB-CD2 3.84Å; F225-F227 HydrophobicContact CB-CE1 3.67Å; F225-F227 HydrophobicContact CB-CE2 3.41Å; F225-F227 VanDerWaalsContact CB-CE2 3.41Å; F225-F227 HydrophobicContact CB-CG 4.17Å; F225-F227 HydrophobicContact CB-CZ 3.31Å; F225-F227 AromaticContact CD1-CE1 3.77Å; F225-F227 HydrophobicContact CD1-CE1 3.77Å; F225-F227 AromaticContact CD1-CZ 3.72Å; F225-F227 HydrophobicContact CD1-CZ 3.72Å; F225-F227 HydrophobicContact CD2-CE2 4.39Å; F225-F227 HydrophobicContact CD2-CZ 4.02Å; F225-F227 AromaticContact CG-CE1 3.87Å; F225-F227 HydrophobicContact CG-CE1 3.87Å; F225-F227 AromaticContact CG-CE2 3.94Å; F225-F227 HydrophobicContact CG-CE2 3.94Å; F225-F227 AromaticContact CG-CZ 3.42Å; F225-F227 HydrophobicContact CG-CZ 3.42Å; F225-F227 VanDerWaalsContact CG-CZ 3.42Å; F225-F227 PolarHBondContact O-N 3.27Å; F225-D243 HydrophobicContact CD1-CB 4.4Å; F225-V302 HydrophobicContact CD1-CG1 3.89Å; F225-V302 HydrophobicContact CE1-CG1 3.41Å; F225-V302 VanDerWaalsContact CE1-CG1 3.41Å; F225-V302 HydrophobicContact CZ-CG1 3.8Å; F225-K304 HydrophobicContact CD1-CB 4.44Å; F225-K304 HydrophobicContact CD1-CG 4.5Å; F225-K304 HydrophobicContact CE1-CB 3.96Å; F225-K304 HydrophobicContact CE1-CD 4.28Å; F225-K304 HydrophobicContact CE1-CG 4.34Å; F225-L325 HydrophobicContact CZ-CD1 4.17Å; F225-I331 HydrophobicContact CD2-CD1 4.36Å; F225-I331 HydrophobicContact CE2-CD1 3.64Å; F225-I331 HydrophobicContact CE2-CG1 4.45Å; F225-I331 HydrophobicContact CZ-CD1 3.89Å
226N84.5Confident83.3Confident114 Ų11464.3 Ų64.361%0.6136%0.355SS*.  trans-98.973.6171.9-173.322.5000109.7I228 D243N226-I228 PolarHBondContact O-N 3.11Å; N226-D243 PolarHBondContact N-OD2 2.84Å; N226-D243 VanDerWaalsContact N-OD2 3.17Å
227F90.4Very high83.5Confident44 Ų4463.6 Ų63.619%0.19336%0.357CS..BIsolated β-bridgetrans-63.9126.3-172.2-68.6-55.8000112.5F225 D243 V245 V302 I331 E333F225-F227 HydrophobicContact CB-CD1 4.09Å; F225-F227 HydrophobicContact CB-CD2 3.84Å; F225-F227 HydrophobicContact CB-CE1 3.67Å; F225-F227 HydrophobicContact CB-CE2 3.41Å; F225-F227 VanDerWaalsContact CB-CE2 3.41Å; F225-F227 HydrophobicContact CB-CG 4.17Å; F225-F227 HydrophobicContact CB-CZ 3.31Å; F225-F227 AromaticContact CD1-CE1 3.77Å; F225-F227 HydrophobicContact CD1-CE1 3.77Å; F225-F227 AromaticContact CD1-CZ 3.72Å; F225-F227 HydrophobicContact CD1-CZ 3.72Å; F225-F227 HydrophobicContact CD2-CE2 4.39Å; F225-F227 HydrophobicContact CD2-CZ 4.02Å; F225-F227 AromaticContact CG-CE1 3.87Å; F225-F227 HydrophobicContact CG-CE1 3.87Å; F225-F227 AromaticContact CG-CE2 3.94Å; F225-F227 HydrophobicContact CG-CE2 3.94Å; F225-F227 AromaticContact CG-CZ 3.42Å; F225-F227 HydrophobicContact CG-CZ 3.42Å; F225-F227 VanDerWaalsContact CG-CZ 3.42Å; F225-F227 PolarHBondContact O-N 3.27Å; F227-D243 WeakPolarHBondContact CA-O 3.47Å; F227-D243 HydrophobicContact CD1-CB 4.23Å; F227-V245 HydrophobicContact CB-CG1 4.48Å; F227-V245 HydrophobicContact CD1-CB 4.03Å; F227-V245 HydrophobicContact CD1-CG1 3.98Å; F227-V245 HydrophobicContact CD2-CG1 4.32Å; F227-V245 HydrophobicContact CE1-CB 3.87Å; F227-V245 HydrophobicContact CE1-CG1 4.27Å; F227-V245 HydrophobicContact CG-CG1 4.02Å; F227-V245 HydrophobicContact CZ-CB 4.18Å; F227-V302 HydrophobicContact CE1-CG1 3.85Å; F227-V302 HydrophobicContact CZ-CG1 3.81Å; F227-V302 HydrophobicContact CZ-CG2 4.32Å; F227-I331 HydrophobicContact CE2-CG2 4.11Å; F227-I331 HydrophobicContact CZ-CG2 4.18Å; F227-E333 HydrophobicContact CD2-CB 4.12Å; F227-E333 HydrophobicContact CD2-CG 3.78Å; F227-E333 HydrophobicContact CE2-CB 3.98Å; F227-E333 HydrophobicContact CE2-CG 3.98Å
228I90.1Very high83.8Confident31 Ų3164.5 Ų64.516%0.15936%0.364CS..PPolyproline II helixtrans-99.7127.7168.3-59.9-175.6000108N226 K232 L233 Q236 V242 D243N226-I228 PolarHBondContact O-N 3.11Å; I228-K232 HydrophobicContact CG2-CB 4.02Å; I228-L233 HydrophobicContact CG2-CD2 4.49Å; I228-Q236 HydrophobicContact CD1-CG 3.81Å; I228-V242 HydrophobicContact CD1-CB 4.13Å; I228-V242 HydrophobicContact CD1-CG1 3.71Å; I228-D243 PolarHBondContact N-O 2.94Å
229S92.5Very high84.1Confident39 Ų3960.9 Ų60.927%0.27334%0.343SS..PPolyproline II helixtrans-62.8143.1173.91780000110.5G231 K232 D275 S277S229-G231 VanDerWaalsContact C-N 3.3Å; S229-G231 PolarHBondContact O-N 3.44Å; S229-K232 PolarHBondContact O-N 3.43Å; S229-D275 VanDerWaalsContact CA-OD2 3.31Å; S229-D275 WeakPolarHBondContact CA-OD2 3.21Å; S229-D275 WeakPolarHBondContact CB-OD2 3.36Å; S229-D275 PolarHBondContact OG-OD2 3.21Å; S229-S277 WeakPolarHBondContact OG-CB 3.38Å
230I93.7Very high84.4Confident0 Ų058.6 Ų58.60%033%0.326CS..G310 helixtrans-53.3-49.1-175.3-64.4177.6000110.2K232 L233 I244 L273 D275 C279 V281 F353I230-K232 PolarHBondContact O-N 2.92Å; I230-L233 HydrophobicContact CG2-CD1 4.16Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 WeakPolarHBondContact O-CG 3.33Å; I230-L233 PolarHBondContact O-N 3.35Å; I230-I244 HydrophobicContact CG1-CD1 3.71Å; I230-I244 HydrophobicContact CG1-CG1 4.24Å; I230-L273 HydrophobicContact CD1-CB 4.15Å; I230-D275 HydrophobicContact CB-CB 4.49Å; I230-D275 HydrophobicContact CD1-CB 3.7Å; I230-D275 HydrophobicContact CG1-CB 3.95Å; I230-D275 PolarHBondContact N-OD2 3.24Å; I230-C279 HydrophobicContact CB-CB 4.38Å; I230-C279 HydrophobicContact CG2-CB 3.78Å; I230-V281 HydrophobicContact CD1-CG1 4.1Å; I230-V281 HydrophobicContact CG1-CG1 4.22Å; I230-V281 HydrophobicContact CG2-CB 3.73Å; I230-V281 HydrophobicContact CG2-CG1 3.66Å; I230-F353 HydrophobicContact CG2-CE2 3.89Å; I230-F353 HydrophobicContact CG2-CZ 4.43Å; I230-F353 WeakPolarHBondContact O-CZ 3.45Å
231G89.7Confident84.7Confident30 Ų3062.7 Ų62.731%0.30934%0.344SS..G310 helixtrans-61.7-10.2179.300000115.8S229 S277 C279S229-G231 VanDerWaalsContact C-N 3.3Å; S229-G231 PolarHBondContact O-N 3.44Å; G231-S277 PolarHBondContact N-OG 3.04Å; G231-C279 WeakPolarHBondContact CA-SG 3.35Å
232K90.4Very high85.2Confident136 Ų13660.7 Ų60.759%0.59133%0.331SS*.G310 helixtrans-100.43.1175.5-65.6-175.3179.31790113.5I228 S229 I230 D234 T235I228-K232 HydrophobicContact CG2-CB 4.02Å; S229-K232 PolarHBondContact O-N 3.43Å; I230-K232 PolarHBondContact O-N 2.92Å; K232-D234 PolarHBondContact O-N 2.87Å; K232-D234 VanDerWaalsContact O-N 3.16Å; K232-T235 WeakPolarHBondContact O-CB 3.36Å; K232-T235 PolarHBondContact O-N 3.11Å; K232-T235 PolarHBondContact O-OG1 3.33Å
233L89.4Confident86Confident1 Ų154.6 Ų54.61%0.00530%0.303CS..G310 helixtrans-59.7-25.6178.9-72.4173.7000113.2I228 I230 T235 Q236 V242 I244 V281 I308 R314 L316 F353I228-L233 HydrophobicContact CG2-CD2 4.49Å; I230-L233 HydrophobicContact CG2-CD1 4.16Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 WeakPolarHBondContact O-CG 3.33Å; I230-L233 PolarHBondContact O-N 3.35Å; L233-T235 PolarHBondContact O-N 3.45Å; L233-Q236 PolarHBondContact O-N 2.8Å; L233-Q236 VanDerWaalsContact O-N 3.12Å; L233-V242 HydrophobicContact CD2-CG2 4.05Å; L233-I244 HydrophobicContact CD1-CD1 4.03Å; L233-I244 HydrophobicContact CD2-CD1 4.27Å; L233-V281 HydrophobicContact CD1-CB 4.03Å; L233-V281 HydrophobicContact CD1-CG1 4.11Å; L233-V281 HydrophobicContact CD1-CG2 3.73Å; L233-I308 HydrophobicContact CD2-CD1 3.89Å; L233-I308 HydrophobicContact CD2-CG1 4.48Å; L233-R314 HydrophobicContact CB-CB 4.42Å; L233-R314 HydrophobicContact CB-CG 4.41Å; L233-L316 HydrophobicContact CD1-CD1 4.25Å; L233-L316 HydrophobicContact CD1-CD2 4.33Å; L233-L316 HydrophobicContact CD1-CG 4.4Å; L233-L316 HydrophobicContact CD2-CD2 4.25Å; L233-F353 HydrophobicContact CB-CE1 4.48Å; L233-F353 HydrophobicContact CB-CZ 4.04Å; L233-F353 HydrophobicContact CD1-CE2 4.34Å
234D84.2Confident87Confident90 Ų9053.8 Ų53.848%0.48130%0.298SS..G310 helixtrans-64-22.6175.5-81-32000114.7K232 Q236 R314 F353K232-D234 PolarHBondContact O-N 2.87Å; K232-D234 VanDerWaalsContact O-N 3.16Å; D234-Q236 PolarHBondContact O-N 3.09Å; D234-R314 PolarHBondContact O-NH2 3.33Å; D234-R314 WeakPolarHBondContact OD1-CG 3.46Å; D234-R314 IonicContact OD1-CZ 2.71Å; D234-R314 IonicContact OD1-NE 3.87Å; D234-R314 PolarHBondContact OD1-NE 2.8Å; D234-F353 HydrophobicContact CB-CE1 4.44Å; D234-F353 VanDerWaalsContact OD2-CD1 3.25Å; D234-F353 WeakPolarHBondContact OD2-CD1 3.4Å; D234-F353 WeakPolarHBondContact OD2-CE1 3.37Å
235T84.2Confident88Confident102 Ų10247.6 Ų47.663%0.62627%0.27SS*.G310 helixtrans-76.1-1117768.30000113.3K232 L233K232-T235 WeakPolarHBondContact O-CB 3.36Å; K232-T235 PolarHBondContact O-N 3.11Å; K232-T235 PolarHBondContact O-OG1 3.33Å; L233-T235 PolarHBondContact O-N 3.45Å
236Q84.6Confident88.6Confident60 Ų6046 Ų4628%0.2826%0.264SS..SBendtrans-100.5145.8-175.9-56.6-59.9-55.100111I228 L233 D234 V242 I308 R314I228-Q236 HydrophobicContact CD1-CG 3.81Å; L233-Q236 PolarHBondContact O-N 2.8Å; L233-Q236 VanDerWaalsContact O-N 3.12Å; D234-Q236 PolarHBondContact O-N 3.09Å; Q236-V242 HydrophobicContact CG-CG1 4.11Å; Q236-I308 HydrophobicContact CB-CD1 3.35Å; Q236-I308 HydrophobicContact CG-CD1 3.93Å; Q236-R314 PolarHBondContact O-NH1 2.85Å; Q236-R314 PolarHBondContact O-NH2 2.81Å
237S82.5Confident89.1Confident78 Ų7840.7 Ų40.755%0.54524%0.235SC..PPolyproline II helixtrans-74.8139.8-179.153.60000111.3G239 S240S237-G239 PolarHBondContact O-N 2.98Å; S237-S240 VanDerWaalsContact O-CB 3.3Å; S237-S240 WeakPolarHBondContact O-CB 3.28Å; S237-S240 PolarHBondContact O-N 3.28Å; S237-S240 VanDerWaalsContact O-N 3.16Å; S237-S240 PolarHBondContact O-OG 2.92Å
238P82.7Confident89.4Confident56 Ų5638.6 Ų38.636%0.36423%0.226SC..THydrogen-bonded Turntrans-53.3138.3170.2-21.330.1000111.6S240 D310P238-S240 VanDerWaalsContact C-N 3.28Å; P238-S240 PolarHBondContact O-N 2.87Å; P238-D310 HydrophobicContact CB-CB 4.37Å; P238-D310 HydrophobicContact CG-CB 4.1Å
239G81.4Confident89.4Confident28 Ų2839.7 Ų39.729%0.28923%0.23SC..THydrogen-bonded Turntrans83-7.2-178.100000115.3S237 I308S237-G239 PolarHBondContact O-N 2.98Å; G239-I308 WeakPolarHBondContact CA-O 3.17Å; G239-I308 PolarHBondContact N-O 3.06Å
240S86.3Confident89.3Confident25 Ų2541.3 Ų41.318%0.17523%0.233CC..  trans-70.3166.8168.266.50000111.7S237 P238 I308S237-S240 VanDerWaalsContact O-CB 3.3Å; S237-S240 WeakPolarHBondContact O-CB 3.28Å; S237-S240 PolarHBondContact O-N 3.28Å; S237-S240 VanDerWaalsContact O-N 3.16Å; S237-S240 PolarHBondContact O-OG 2.92Å; P238-S240 VanDerWaalsContact C-N 3.28Å; P238-S240 PolarHBondContact O-N 2.87Å; S240-I308 PolarHBondContact O-N 3.21Å
241F88.8Confident89.2Confident92 Ų9244.1 Ų44.140%0.40425%0.252SS..EExtended strand (participates in β ladder)trans-115136177.4-64.5-87.9000109.8A305 A306 K307F241-A305 HydrophobicContact CB-CB 4.07Å; F241-A305 HydrophobicContact CD1-CB 4.26Å; F241-A305 WeakPolarHBondContact CD1-O 3.44Å; F241-A305 HydrophobicContact CG-CB 4.48Å; F241-A306 CarbonylContact C-O 3.46Å; F241-A306 VanDerWaalsContact CA-O 3.3Å; F241-A306 WeakPolarHBondContact CA-O 3.39Å; F241-K307 HydrophobicContact CD1-CB 4.03Å; F241-K307 HydrophobicContact CE1-CB 3.84Å; F241-K307 HydrophobicContact CE1-CG 4.15Å
242V90Very high89.2Confident6 Ų644.2 Ų44.24%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-133.6152-178.3-61.80000111.6I228 L233 Q236 A305 A306 I308 L316I228-V242 HydrophobicContact CD1-CB 4.13Å; I228-V242 HydrophobicContact CD1-CG1 3.71Å; L233-V242 HydrophobicContact CD2-CG2 4.05Å; Q236-V242 HydrophobicContact CG-CG1 4.11Å; V242-A305 CarbonylContact O-C 3.46Å; V242-A305 WeakPolarHBondContact O-CA 3.49Å; V242-A305 PolarHBondContact O-N 3.17Å; V242-A306 HydrophobicContact CG2-CB 4.49Å; V242-A306 PolarHBondContact N-O 2.87Å; V242-A306 PolarHBondContact O-N 3.47Å; V242-I308 HydrophobicContact CB-CD1 4.2Å; V242-I308 HydrophobicContact CG1-CD1 3.39Å; V242-I308 HydrophobicContact CG1-CG1 4.08Å; V242-I308 HydrophobicContact CG2-CD1 3.74Å; V242-I308 HydrophobicContact CG2-CG1 3.74Å; V242-L316 HydrophobicContact CG2-CD2 4.18Å
243D91.4Very high89.2Confident18 Ų1845.8 Ų45.810%0.09626%0.263CS..EExtended strand (participates in β ladder)trans-91.2130.4170.6-64.2-11.5000108.2F225 N226 F227 I228 I303 K304 A305F225-D243 HydrophobicContact CD1-CB 4.4Å; N226-D243 PolarHBondContact N-OD2 2.84Å; N226-D243 VanDerWaalsContact N-OD2 3.17Å; F227-D243 WeakPolarHBondContact CA-O 3.47Å; F227-D243 HydrophobicContact CD1-CB 4.23Å; I228-D243 PolarHBondContact N-O 2.94Å; D243-I303 CarbonylContact C-O 3.57Å; D243-I303 WeakPolarHBondContact CA-O 3.48Å; D243-K304 WeakPolarHBondContact OD1-CA 3.49Å; D243-K304 VanDerWaalsContact OD1-CG 3.3Å; D243-K304 WeakPolarHBondContact OD1-CG 3.41Å; D243-K304 IonicContact OD2-NZ 3.27Å; D243-K304 PolarHBondContact OD2-NZ 2.98Å; D243-A305 PolarHBondContact OD1-N 2.8Å
244I93.2Very high89.4Confident1 Ų148 Ų481%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-135.7147.5-177.5-154.3163.3000111.9I230 L233 V302 I303 A306 L316I230-I244 HydrophobicContact CG1-CD1 3.71Å; I230-I244 HydrophobicContact CG1-CG1 4.24Å; L233-I244 HydrophobicContact CD1-CD1 4.03Å; L233-I244 HydrophobicContact CD2-CD1 4.27Å; I244-V302 WeakPolarHBondContact O-CA 3.45Å; I244-I303 HydrophobicContact CG2-CB 3.98Å; I244-I303 HydrophobicContact CG2-CD1 3.94Å; I244-I303 HydrophobicContact CG2-CG1 4.05Å; I244-I303 PolarHBondContact N-O 2.89Å; I244-I303 PolarHBondContact O-N 3.01Å; I244-A306 HydrophobicContact CG2-CB 4.49Å; I244-L316 HydrophobicContact CD1-CD1 3.47Å; I244-L316 VanDerWaalsContact CD1-CD1 3.47Å; I244-L316 HydrophobicContact CG2-CD1 4.07Å
245V95.3Very high89.7Confident16 Ų1648.4 Ų48.410%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-124.9131.5169.258.90000107.9F227 V300 I301 V302 E333 A334 L337F227-V245 HydrophobicContact CB-CG1 4.48Å; F227-V245 HydrophobicContact CD1-CB 4.03Å; F227-V245 HydrophobicContact CD1-CG1 3.98Å; F227-V245 HydrophobicContact CD2-CG1 4.32Å; F227-V245 HydrophobicContact CE1-CB 3.87Å; F227-V245 HydrophobicContact CE1-CG1 4.27Å; F227-V245 HydrophobicContact CG-CG1 4.02Å; F227-V245 HydrophobicContact CZ-CB 4.18Å; V245-V300 HydrophobicContact CG2-CG1 3.9Å; V245-I301 WeakPolarHBondContact CA-O 3.18Å; V245-V302 HydrophobicContact CB-CG2 4.15Å; V245-V302 HydrophobicContact CG2-CG2 3.78Å; V245-E333 HydrophobicContact CG1-CB 4.16Å; V245-A334 HydrophobicContact CG2-CB 4.17Å; V245-L337 HydrophobicContact CG2-CD2 4.14Å
246G95.7Very high89.8Confident0 Ų046.1 Ų46.10%026%0.264CS..EExtended strand (participates in β ladder)trans-157.2147.8-175.600000111.7V274 I301G246-V274 CarbonylContact C-O 3.55Å; G246-V274 WeakPolarHBondContact CA-O 3.17Å; G246-I301 PolarHBondContact N-O 3.28Å; G246-I301 PolarHBondContact O-N 3.01Å
247V95.8Very high89.9Confident1 Ų146.1 Ų46.11%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-86.7135170.4-168.10000108.9H249 L273 V274 H298 V300 L337 Y341V247-H249 PolarHBondContact O-N 2.86Å; V247-H249 VanDerWaalsContact O-N 3.1Å; V247-L273 WeakPolarHBondContact O-CA 3.4Å; V247-V274 HydrophobicContact CB-CG2 4.16Å; V247-V274 PolarHBondContact N-O 3.2Å; V247-V274 PolarHBondContact O-N 3.24Å; V247-H298 HydrophobicContact CG1-CB 4.09Å; V247-H298 VanDerWaalsContact CG1-O 3.26Å; V247-H298 WeakPolarHBondContact CG1-O 3.36Å; V247-V300 HydrophobicContact CG2-CG2 3.96Å; V247-L337 HydrophobicContact CG2-CB 4.47Å; V247-L337 HydrophobicContact CG2-CD2 3.69Å; V247-L337 HydrophobicContact CG2-CG 3.67Å; V247-Y341 HydrophobicContact CB-CD2 4.04Å; V247-Y341 HydrophobicContact CB-CE2 4.5Å; V247-Y341 HydrophobicContact CB-CG 4.04Å; V247-Y341 HydrophobicContact CG1-CD1 3.67Å; V247-Y341 HydrophobicContact CG1-CD2 4Å; V247-Y341 HydrophobicContact CG1-CE1 3.95Å; V247-Y341 HydrophobicContact CG1-CE2 4.27Å; V247-Y341 HydrophobicContact CG1-CG 3.69Å; V247-Y341 HydrophobicContact CG2-CD2 4.31Å; V247-Y341 HydrophobicContact CG2-CG 4.05Å
248V95.7Very high89.8Confident1 Ų146.2 Ų46.21%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-72.2105.4172.5178.90000109E250 C251 L271 L273 F293 H298 P299 I301V248-E250 WeakPolarHBondContact CG1-O 3.29Å; V248-C251 HydrophobicContact CG1-CB 4.35Å; V248-L271 HydrophobicContact CG1-CD2 4.37Å; V248-L271 HydrophobicContact CG2-CD1 4.1Å; V248-L273 HydrophobicContact CB-CD2 4.48Å; V248-L273 HydrophobicContact CG2-CD2 3.64Å; V248-F293 HydrophobicContact CG1-CE1 4.34Å; V248-F293 HydrophobicContact CG2-CE1 4.38Å; V248-F293 HydrophobicContact CG2-CZ 3.84Å; V248-H298 VanDerWaalsContact O-CA 3.3Å; V248-H298 WeakPolarHBondContact O-CA 3.24Å; V248-H298 VanDerWaalsContact O-CB 3.3Å; V248-H298 WeakPolarHBondContact O-CB 3.43Å; V248-H298 PolarHBondContact O-CD2 2.94Å; V248-H298 VanDerWaalsContact O-CD2 3.24Å; V248-P299 HydrophobicContact CB-CG 4.37Å; V248-P299 HydrophobicContact CG2-CG 4.28Å; V248-P299 PolarHBondContact N-O 2.81Å; V248-I301 HydrophobicContact CG2-CD1 3.27Å; V248-I301 HydrophobicContact CG2-CG1 3.74Å
249H91Very high89.2Confident53 Ų5344.5 Ų44.525%0.24525%0.253CS..EExtended strand (participates in β ladder)trans-85.8-39174.4-173.262.3000111.5V247 G272 V274 Y341 F350V247-H249 PolarHBondContact O-N 2.86Å; V247-H249 VanDerWaalsContact O-N 3.1Å; H249-G272 PolarHBondContact N-O 2.71Å; H249-V274 HydrophobicContact CB-CB 4.44Å; H249-V274 HydrophobicContact CB-CG1 3.69Å; H249-V274 HydrophobicContact CB-CG2 3.9Å; H249-Y341 AromaticContact ND1-CE2 3.75Å; H249-Y341 AromaticContact ND1-CZ 3.74Å; H249-Y341 PolarHBondContact ND1-OH 3.37Å; H249-F350 AromaticContact CD2-CD2 3.92Å; H249-F350 AromaticContact CD2-CE2 3.98Å; H249-F350 AromaticContact CE1-CE2 3.72Å; H249-F350 AromaticContact CG-CE2 3.94Å; H249-F350 AromaticContact ND1-CE2 3.78Å; H249-F350 AromaticContact NE2-CD2 3.92Å; H249-F350 AromaticContact NE2-CE2 3.85Å
250E89.1Confident88.5Confident73 Ų7349.1 Ų49.134%0.34127%0.265SS..EExtended strand (participates in β ladder)trans-125.9137.2179.7-61.5179.8-165.900110.7V248 L271 G272 L280 R282V248-E250 WeakPolarHBondContact CG1-O 3.29Å; E250-L271 CarbonylContact O-C 3.47Å; E250-L271 WeakPolarHBondContact O-CA 2.79Å; E250-G272 PolarHBondContact N-O 2.66Å; E250-G272 PolarHBondContact O-N 3.04Å; E250-L280 HydrophobicContact CG-CD1 4.42Å; E250-R282 IonicContact OE1-NH2 2.7Å; E250-R282 IonicContact OE2-CZ 3Å; E250-R282 IonicContact OE2-NH1 2.78Å; E250-R282 PolarHBondContact OE2-NH1 2.91Å; E250-R282 IonicContact OE2-NH2 3.18Å; E250-R282 PolarHBondContact OE2-NH2 2.86Å
251C92.1Very high87.5Confident59 Ų5953.2 Ų53.240%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-126.2110.3175-175.50000109.4V248 L271V248-C251 HydrophobicContact CG1-CB 4.35Å; C251-L271 HydrophobicContact CB-CD2 4.05Å; C251-L271 VanDerWaalsContact SG-CD2 3.59Å
252G89.1Confident86.6Confident33 Ų3352.5 Ų52.534%0.3431%0.307SS..PPolyproline II helixtrans-74.4168.1175.400000113.1R269 E270G252-R269 WeakPolarHBondContact O-CD 3.48Å; G252-R269 VanDerWaalsContact O-CG 3.29Å; G252-R269 WeakPolarHBondContact O-CG 3.29Å; G252-R269 PolarHBondContact O-NE 3.44Å; G252-E270 WeakPolarHBondContact CA-O 3.36Å; G252-E270 PolarHBondContact N-O 3.36Å
253E91.3Very high85.8Confident169 Ų16958.9 Ų58.979%0.7934%0.337SS*.PPolyproline II helixtrans-73.2158.6171.8-63.1-178.4172.400111.7Q255E253-Q255 PolarHBondContact O-N 2.89Å
254V92.6Very high85Confident47 Ų4763.9 Ų63.929%0.28535%0.354SS..PPolyproline II helixtrans-72128.2173.1-172.50000109.1R267 K268 E291V254-R267 HydrophobicContact CG1-CB 4.19Å; V254-K268 WeakPolarHBondContact CA-O 3.38Å; V254-E291 HydrophobicContact CG1-CG 4.23Å
255Q90.1Very high84.5Confident98 Ų9869.8 Ų69.846%0.45838%0.382SS..EExtended strand (participates in β ladder)trans-109.1140.7174.7-61.7179.4-11.400109.7E253 R267 K268E253-Q255 PolarHBondContact O-N 2.89Å; Q255-R267 CarbonylContact O-C 3.55Å; Q255-R267 WeakPolarHBondContact O-CA 3.41Å; Q255-K268 HydrophobicContact CB-CG 4.12Å; Q255-K268 PolarHBondContact N-O 2.89Å; Q255-K268 PolarHBondContact O-N 3.01Å
256S87.5Confident83.9Confident54 Ų5472.1 Ų72.138%0.37839%0.393SS..EExtended strand (participates in β ladder)trans-95.6130.4167.1-163.50000109.2
257I85.4Confident83.6Confident60 Ų6077 Ų7731%0.30841%0.412SS..EExtended strand (participates in β ladder)trans-130.9136.7177.154.6160.5000110L266 K268 W286I257-L266 HydrophobicContact CG1-CB 4.07Å; I257-L266 VanDerWaalsContact CG1-O 3.31Å; I257-L266 WeakPolarHBondContact CG1-O 3.37Å; I257-L266 PolarHBondContact N-O 2.94Å; I257-L266 PolarHBondContact O-N 2.86Å; I257-K268 HydrophobicContact CD1-CD 3.89Å; I257-K268 HydrophobicContact CD1-CG 4.26Å; I257-K268 HydrophobicContact CG1-CD 4.39Å; I257-K268 HydrophobicContact CG1-CG 4.28Å; I257-K268 HydrophobicContact CG2-CD 4.48Å; I257-W286 HydrophobicContact CD1-CH2 3.9Å; I257-W286 HydrophobicContact CD1-CZ3 3.55Å; I257-W286 HydrophobicContact CG1-CZ3 4.45Å
258T80.6Confident83.4Confident80 Ų8078.7 Ų78.749%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-86121.6176.8-46.80000110.2K260T258-K260 PolarHBondContact O-N 3.28Å
259A71.7Confident83.3Confident20 Ų2080.3 Ų80.317%0.16543%0.425CS..  trans-66.8120.2177.200000110.7A261 S262 Q263 R264 L266A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 2.81Å; A259-S262 WeakPolarHBondContact CB-OG 3.5Å; A259-S262 PolarHBondContact O-N 2.74Å; A259-Q263 WeakPolarHBondContact O-CA 3.5Å; A259-Q263 PolarHBondContact O-N 3.01Å; A259-R264 VanDerWaalsContact CB-O 3.3Å; A259-R264 WeakPolarHBondContact CB-O 3.46Å; A259-R264 PolarHBondContact N-O 3.04Å; A259-L266 HydrophobicContact CB-CD1 3.7Å; A259-L266 HydrophobicContact CB-CG 4.02Å
260K66.7Low83.4Confident125 Ų12579.7 Ų79.754%0.54342%0.422SS..THydrogen-bonded Turntrans-59.5-38.4-174.5-66.8-179.2176.7174.80114T258 Q263 G372T258-K260 PolarHBondContact O-N 3.28Å; K260-Q263 PolarHBondContact O-NE2 2.83Å; K260-G372 PolarHBondContact NZ-O 2.65Å
261A65.4Low83.7Confident111 Ų11176.2 Ų76.292%0.91741%0.406SS*.THydrogen-bonded Turntrans-77-34.5-175.100000113.7A259A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 2.81Å
262S69.4Low83.7Confident78 Ų7873.4 Ų73.455%0.54539%0.387SS..THydrogen-bonded Turntrans-111.2-6.9-175.159.30000114A259 R264A259-S262 WeakPolarHBondContact CB-OG 3.5Å; A259-S262 PolarHBondContact O-N 2.74Å; S262-R264 PolarHBondContact O-N 2.78Å; S262-R264 WeakPolarHBondContact OG-CB 3.5Å; S262-R264 PolarHBondContact OG-N 3.22Å
263Q72.4Confident84Confident140 Ų14071.8 Ų71.865%0.65437%0.371SS*.  trans54.116-167.7-62-65.1-48.100113.8A259 K260A259-Q263 WeakPolarHBondContact O-CA 3.5Å; A259-Q263 PolarHBondContact O-N 3.01Å; K260-Q263 PolarHBondContact O-NE2 2.83Å
264R75.5Confident84.1Confident123 Ų12363.8 Ų63.846%0.46433%0.333SS..  trans-80.8134.6179.7-172.5177.8176.2172.11.7110T134 A259 S262 L266T134-R264 PolarHBondContact O-NH1 2.78Å; T134-R264 PolarHBondContact O-NH2 2.8Å; T134-R264 PolarHBondContact OG1-NH2 2.81Å; T134-R264 VanDerWaalsContact OG1-NH2 3.16Å; A259-R264 VanDerWaalsContact CB-O 3.3Å; A259-R264 WeakPolarHBondContact CB-O 3.46Å; A259-R264 PolarHBondContact N-O 3.04Å; S262-R264 PolarHBondContact O-N 2.78Å; S262-R264 WeakPolarHBondContact OG-CB 3.5Å; S262-R264 PolarHBondContact OG-N 3.22Å; R264-L266 PolarHBondContact O-N 2.84Å
265E81.1Confident84.2Confident125 Ų12561.9 Ų61.958%0.58432%0.321SS*.EExtended strand (participates in β ladder)trans-67.1128.2167.8-66.6-169.3178.100110.6
266L84.1Confident84.2Confident64 Ų6460.5 Ų60.534%0.33532%0.323SS..EExtended strand (participates in β ladder)trans-117.2133.8175.2-62.8176.9000108.7I257 A259 R264 W286I257-L266 HydrophobicContact CG1-CB 4.07Å; I257-L266 VanDerWaalsContact CG1-O 3.31Å; I257-L266 WeakPolarHBondContact CG1-O 3.37Å; I257-L266 PolarHBondContact N-O 2.94Å; I257-L266 PolarHBondContact O-N 2.86Å; A259-L266 HydrophobicContact CB-CD1 3.7Å; A259-L266 HydrophobicContact CB-CG 4.02Å; R264-L266 PolarHBondContact O-N 2.84Å; L266-W286 HydrophobicContact CB-CE3 4.5Å; L266-W286 HydrophobicContact CB-CZ3 4.43Å; L266-W286 HydrophobicContact CD1-CZ3 4.18Å
267R89.2Confident84.3Confident104 Ų10459.8 Ų59.839%0.39232%0.318SS..EExtended strand (participates in β ladder)trans-91.3134.2173.8-63.2-84.9-177.5-175.5-1.9108.2V254 Q255 W286 G287 E291V254-R267 HydrophobicContact CG1-CB 4.19Å; Q255-R267 CarbonylContact O-C 3.55Å; Q255-R267 WeakPolarHBondContact O-CA 3.41Å; R267-W286 CarbonylContact O-C 3.55Å; R267-W286 WeakPolarHBondContact O-CA 3.37Å; R267-G287 PolarHBondContact O-N 3.25Å; R267-E291 HydrophobicContact CB-CG 4.19Å; R267-E291 VanDerWaalsContact CD-OE1 3.32Å; R267-E291 WeakPolarHBondContact CD-OE1 3.45Å; R267-E291 HydrophobicContact CG-CG 4.4Å; R267-E291 WeakPolarHBondContact CG-OE1 3.47Å; R267-E291 IonicContact NE-OE1 2.99Å
268K92.1Very high84.3Confident36 Ų3660.3 Ų60.316%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-136.5153.8175.772.1162.6-167.4154.30111.7V254 Q255 I257 E270 T284 L285 W286V254-K268 WeakPolarHBondContact CA-O 3.38Å; Q255-K268 HydrophobicContact CB-CG 4.12Å; Q255-K268 PolarHBondContact N-O 2.89Å; Q255-K268 PolarHBondContact O-N 3.01Å; I257-K268 HydrophobicContact CD1-CD 3.89Å; I257-K268 HydrophobicContact CD1-CG 4.26Å; I257-K268 HydrophobicContact CG1-CD 4.39Å; I257-K268 HydrophobicContact CG1-CG 4.28Å; I257-K268 HydrophobicContact CG2-CD 4.48Å; K268-E270 IonicContact NZ-OE1 2.78Å; K268-E270 PolarHBondContact NZ-OE1 3.14Å; K268-T284 HydrophobicContact CB-CG2 4.23Å; K268-T284 HydrophobicContact CD-CG2 4.27Å; K268-L285 VanDerWaalsContact CA-O 3.25Å; K268-L285 WeakPolarHBondContact CA-O 3.38Å; K268-W286 HydrophobicContact CB-CD2 4.45Å; K268-W286 HydrophobicContact CB-CE3 3.99Å; K268-W286 HydrophobicContact CB-CZ3 4.14Å
269R93.9Very high84.7Confident34 Ų3457.3 Ų57.313%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-139.8134.7174-177.3177.9-82.8162.5-12.4108.9G252 L271 L285 A290 E291 F293G252-R269 WeakPolarHBondContact O-CD 3.48Å; G252-R269 VanDerWaalsContact O-CG 3.29Å; G252-R269 WeakPolarHBondContact O-CG 3.29Å; G252-R269 PolarHBondContact O-NE 3.44Å; R269-L271 HydrophobicContact CG-CD2 4.27Å; R269-L285 PolarHBondContact N-O 3.43Å; R269-L285 PolarHBondContact O-N 2.78Å; R269-A290 HydrophobicContact CB-CB 3.72Å; R269-A290 WeakPolarHBondContact CD-O 3.39Å; R269-A290 PolarHBondContact NE-O 2.71Å; R269-A290 VanDerWaalsContact NE-O 3.14Å; R269-A290 PolarHBondContact NH1-O 2.68Å; R269-E291 PolarHBondContact NH1-O 3.38Å; R269-F293 PolarHBondContact NH1-O 3.07Å
270E93.1Very high85.5Confident40 Ų4056.8 Ų56.819%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-98.3128.8178.4-61.6-71.7168.300109.5G252 K268 T284G252-E270 WeakPolarHBondContact CA-O 3.36Å; G252-E270 PolarHBondContact N-O 3.36Å; K268-E270 IonicContact NZ-OE1 2.78Å; K268-E270 PolarHBondContact NZ-OE1 3.14Å; E270-T284 PolarHBondContact OE1-OG1 3.47Å; E270-T284 PolarHBondContact OE2-OG1 3.29Å
271L94.5Very high86.8Confident0 Ų050.9 Ų50.90%027%0.272CS..EExtended strand (participates in β ladder)trans-111.7147173-54.8-175.1000109.9V248 E250 C251 R269 R282 L283 L285 F293 I301V248-L271 HydrophobicContact CG1-CD2 4.37Å; V248-L271 HydrophobicContact CG2-CD1 4.1Å; E250-L271 CarbonylContact O-C 3.47Å; E250-L271 WeakPolarHBondContact O-CA 2.79Å; C251-L271 HydrophobicContact CB-CD2 4.05Å; C251-L271 VanDerWaalsContact SG-CD2 3.59Å; R269-L271 HydrophobicContact CG-CD2 4.27Å; L271-R282 CarbonylContact O-C 3.56Å; L271-R282 WeakPolarHBondContact O-CA 3.45Å; L271-L283 HydrophobicContact CB-CB 4.36Å; L271-L283 HydrophobicContact CD1-CD2 4.26Å; L271-L283 PolarHBondContact N-O 2.72Å; L271-L283 PolarHBondContact O-N 2.8Å; L271-L285 HydrophobicContact CD1-CD1 3.59Å; L271-L285 HydrophobicContact CD1-CG 4Å; L271-L285 HydrophobicContact CG-CD1 4.15Å; L271-L285 HydrophobicContact CG-CG 4.29Å; L271-F293 HydrophobicContact CD1-CD1 3.98Å; L271-F293 HydrophobicContact CD1-CD2 4.41Å; L271-F293 HydrophobicContact CD1-CE1 3.61Å; L271-F293 HydrophobicContact CD1-CE2 4.12Å; L271-F293 HydrophobicContact CD1-CG 4.38Å; L271-F293 HydrophobicContact CD1-CZ 3.74Å; L271-F293 HydrophobicContact CD2-CD1 3.83Å; L271-F293 HydrophobicContact CD2-CE1 3.72Å; L271-F293 HydrophobicContact CG-CE1 4.36Å; L271-I301 HydrophobicContact CD1-CD1 3.76Å
272G92.9Very high88.2Confident0 Ų050 Ų500%025%0.245CC..EExtended strand (participates in β ladder)trans-100.5112.6166.400000109.4H249 E250H249-G272 PolarHBondContact N-O 2.71Å; E250-G272 PolarHBondContact N-O 2.66Å; E250-G272 PolarHBondContact O-N 3.04Å
273L95Very high89.4Confident0 Ų046.3 Ų46.30%022%0.219CC..EExtended strand (participates in β ladder)trans-96.7139.5176.8-63.3-172.9000110.9I230 V247 V248 L280 V281 L283 I301 I303I230-L273 HydrophobicContact CD1-CB 4.15Å; V247-L273 WeakPolarHBondContact O-CA 3.4Å; V248-L273 HydrophobicContact CB-CD2 4.48Å; V248-L273 HydrophobicContact CG2-CD2 3.64Å; L273-L280 WeakPolarHBondContact O-CA 3.43Å; L273-V281 HydrophobicContact CB-CG1 3.94Å; L273-V281 PolarHBondContact N-O 3.28Å; L273-V281 PolarHBondContact O-N 2.88Å; L273-L283 HydrophobicContact CD1-CB 4.08Å; L273-L283 HydrophobicContact CD1-CD2 3.98Å; L273-L283 HydrophobicContact CG-CB 4.12Å; L273-L283 HydrophobicContact CG-CD2 4.4Å; L273-I301 HydrophobicContact CD2-CD1 4.32Å; L273-I303 HydrophobicContact CD1-CD1 4.29Å
274V94Very high90.4Very high0 Ų040.4 Ų40.40%019%0.192CC..EExtended strand (participates in β ladder)trans-129.8152.1175.7-58.80000111.2G246 V247 H249 L280 W340 Y341 F350G246-V274 CarbonylContact C-O 3.55Å; G246-V274 WeakPolarHBondContact CA-O 3.17Å; V247-V274 HydrophobicContact CB-CG2 4.16Å; V247-V274 PolarHBondContact N-O 3.2Å; V247-V274 PolarHBondContact O-N 3.24Å; H249-V274 HydrophobicContact CB-CB 4.44Å; H249-V274 HydrophobicContact CB-CG1 3.69Å; H249-V274 HydrophobicContact CB-CG2 3.9Å; V274-L280 HydrophobicContact CG1-CB 3.99Å; V274-L280 HydrophobicContact CG1-CD1 4.09Å; V274-L280 HydrophobicContact CG1-CG 4.1Å; V274-W340 HydrophobicContact CG2-CZ3 4.4Å; V274-Y341 HydrophobicContact CG2-CD2 3.93Å; V274-Y341 HydrophobicContact CG2-CE2 3.8Å; V274-F350 HydrophobicContact CB-CD1 3.96Å; V274-F350 HydrophobicContact CB-CD2 4.48Å; V274-F350 HydrophobicContact CB-CE1 3.72Å; V274-F350 HydrophobicContact CB-CE2 4.24Å; V274-F350 HydrophobicContact CB-CG 4.33Å; V274-F350 HydrophobicContact CB-CZ 3.83Å; V274-F350 HydrophobicContact CG1-CB 4.34Å; V274-F350 HydrophobicContact CG1-CD1 3.76Å; V274-F350 HydrophobicContact CG1-CD2 3.66Å; V274-F350 HydrophobicContact CG1-CE1 3.92Å; V274-F350 HydrophobicContact CG1-CE2 3.78Å; V274-F350 HydrophobicContact CG1-CG 3.63Å; V274-F350 HydrophobicContact CG1-CZ 3.89Å; V274-F350 HydrophobicContact CG2-CE1 4.11Å; V274-F350 HydrophobicContact CG2-CE2 4.22Å; V274-F350 HydrophobicContact CG2-CZ 3.76Å
275D93.9Very high91.3Very high8 Ų834.5 Ų34.54%0.04317%0.17CC..  trans-140.1-176.9174.279.5-12.9000110.4S229 I230 S277 N278 L337 W340S229-D275 VanDerWaalsContact CA-OD2 3.31Å; S229-D275 WeakPolarHBondContact CA-OD2 3.21Å; S229-D275 WeakPolarHBondContact CB-OD2 3.36Å; S229-D275 PolarHBondContact OG-OD2 3.21Å; I230-D275 HydrophobicContact CB-CB 4.49Å; I230-D275 HydrophobicContact CD1-CB 3.7Å; I230-D275 HydrophobicContact CG1-CB 3.95Å; I230-D275 PolarHBondContact N-OD2 3.24Å; D275-S277 PolarHBondContact O-N 3.06Å; D275-S277 WeakPolarHBondContact OD1-CA 3.48Å; D275-S277 VanDerWaalsContact OD1-CB 3.24Å; D275-S277 WeakPolarHBondContact OD1-CB 3.18Å; D275-S277 PolarHBondContact OD1-N 3.26Å; D275-S277 PolarHBondContact OD1-OG 3.12Å; D275-N278 PolarHBondContact O-N 3.47Å; D275-N278 VanDerWaalsContact O-N 3.08Å; D275-L337 HydrophobicContact CB-CD1 3.98Å; D275-L337 HydrophobicContact CB-CD2 4.16Å; D275-W340 VanDerWaalsContact C-CZ3 3.43Å; D275-W340 WeakPolarHBondContact O-CH2 3.37Å; D275-W340 WeakPolarHBondContact O-CZ2 3.45Å
276S90.8Very high91.7Very high69 Ų6932.1 Ų32.148%0.48316%0.156SC..THydrogen-bonded Turntrans-64.4-2.4179.760.40000115.2
277S89.5Confident91.9Very high39 Ų3930.6 Ų30.627%0.27316%0.156SC..THydrogen-bonded Turntrans-80.8-3.5170.569.60000113.7S229 G231 D275 C279S229-S277 WeakPolarHBondContact OG-CB 3.38Å; G231-S277 PolarHBondContact N-OG 3.04Å; D275-S277 PolarHBondContact O-N 3.06Å; D275-S277 WeakPolarHBondContact OD1-CA 3.48Å; D275-S277 VanDerWaalsContact OD1-CB 3.24Å; D275-S277 WeakPolarHBondContact OD1-CB 3.18Å; D275-S277 PolarHBondContact OD1-N 3.26Å; D275-S277 PolarHBondContact OD1-OG 3.12Å; S277-C279 PolarHBondContact O-N 2.92Å
278N85.5Confident91.7Very high70 Ų7030 Ų3037%0.37416%0.157SC..  trans60.126.1-174-60.1-49.9000113.8D275 F350 E351D275-N278 PolarHBondContact O-N 3.47Å; D275-N278 VanDerWaalsContact O-N 3.08Å; N278-F350 HydrophobicContact CB-CD1 4.45Å; N278-F350 CarbonylContact O-C 3.52Å; N278-F350 VanDerWaalsContact O-CA 3.3Å; N278-F350 WeakPolarHBondContact O-CA 3.25Å; N278-E351 PolarHBondContact O-N 3.06Å
279C87.4Confident91.5Very high18 Ų1830.7 Ų30.712%0.12216%0.161CC..EExtended strand (participates in β ladder)trans-104.7143172.9-63.60000111.5I230 G231 S277 E351 F353I230-C279 HydrophobicContact CB-CB 4.38Å; I230-C279 HydrophobicContact CG2-CB 3.78Å; G231-C279 WeakPolarHBondContact CA-SG 3.35Å; S277-C279 PolarHBondContact O-N 2.92Å; C279-E351 CarbonylContact C-O 3.54Å; C279-E351 WeakPolarHBondContact CA-O 3.39Å; C279-F353 HydrophobicContact CB-CE2 4.37Å
280L89.8Confident91.4Very high9 Ų929 Ų295%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-106.1124.4171.3-174.7152.6000110.3E250 L273 V274 F350 E351 T352E250-L280 HydrophobicContact CG-CD1 4.42Å; L273-L280 WeakPolarHBondContact O-CA 3.43Å; V274-L280 HydrophobicContact CG1-CB 3.99Å; V274-L280 HydrophobicContact CG1-CD1 4.09Å; V274-L280 HydrophobicContact CG1-CG 4.1Å; L280-F350 HydrophobicContact CB-CB 3.78Å; L280-E351 PolarHBondContact N-O 2.95Å; L280-T352 HydrophobicContact CB-CG2 4.16Å; L280-T352 HydrophobicContact CD2-CG2 4.08Å
281V93.5Very high91.3Very high1 Ų131.3 Ų31.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-115.7143.4173.168.10000111I230 L233 L273 R314 L316 F353I230-V281 HydrophobicContact CD1-CG1 4.1Å; I230-V281 HydrophobicContact CG1-CG1 4.22Å; I230-V281 HydrophobicContact CG2-CB 3.73Å; I230-V281 HydrophobicContact CG2-CG1 3.66Å; L233-V281 HydrophobicContact CD1-CB 4.03Å; L233-V281 HydrophobicContact CD1-CG1 4.11Å; L233-V281 HydrophobicContact CD1-CG2 3.73Å; L273-V281 HydrophobicContact CB-CG1 3.94Å; L273-V281 PolarHBondContact N-O 3.28Å; L273-V281 PolarHBondContact O-N 2.88Å; V281-R314 WeakPolarHBondContact CG2-O 3.43Å; V281-L316 HydrophobicContact CG1-CD1 3.84Å; V281-L316 HydrophobicContact CG2-CD1 4.24Å; V281-L316 HydrophobicContact CG2-CG 4.03Å; V281-F353 HydrophobicContact CB-CD2 4.28Å; V281-F353 HydrophobicContact CB-CE2 4.09Å; V281-F353 HydrophobicContact CG2-CD2 4.36Å; V281-F353 HydrophobicContact CG2-CE2 4.38Å
282R93.8Very high91.1Very high93 Ų9336.9 Ų36.935%0.35120%0.195SC..EExtended strand (participates in β ladder)trans-83.2130.7174.5-66.1-67.3179.9-172.7-7110.5E250 L271 S315 L316E250-R282 IonicContact OE1-NH2 2.7Å; E250-R282 IonicContact OE2-CZ 3Å; E250-R282 IonicContact OE2-NH1 2.78Å; E250-R282 PolarHBondContact OE2-NH1 2.91Å; E250-R282 IonicContact OE2-NH2 3.18Å; E250-R282 PolarHBondContact OE2-NH2 2.86Å; L271-R282 CarbonylContact O-C 3.56Å; L271-R282 WeakPolarHBondContact O-CA 3.45Å; R282-S315 CarbonylContact O-C 3.55Å; R282-S315 WeakPolarHBondContact O-CA 3.42Å; R282-S315 WeakPolarHBondContact O-CB 3.14Å; R282-L316 PolarHBondContact O-N 3.06Å
283L94.9Very high91Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-115.8124.4173174.876.7000110.1L271 L273 L285 I303 L316 V318L271-L283 HydrophobicContact CB-CB 4.36Å; L271-L283 HydrophobicContact CD1-CD2 4.26Å; L271-L283 PolarHBondContact N-O 2.72Å; L271-L283 PolarHBondContact O-N 2.8Å; L273-L283 HydrophobicContact CD1-CB 4.08Å; L273-L283 HydrophobicContact CD1-CD2 3.98Å; L273-L283 HydrophobicContact CG-CB 4.12Å; L273-L283 HydrophobicContact CG-CD2 4.4Å; L283-L285 HydrophobicContact CD2-CD2 3.86Å; L283-L285 HydrophobicContact CG-CD2 4.3Å; L283-I303 HydrophobicContact CD1-CD1 3.52Å; L283-I303 HydrophobicContact CD2-CD1 3.45Å; L283-I303 VanDerWaalsContact CD2-CD1 3.45Å; L283-I303 HydrophobicContact CG-CD1 4.11Å; L283-L316 CarbonylContact C-O 3.51Å; L283-L316 VanDerWaalsContact CA-O 3.29Å; L283-L316 WeakPolarHBondContact CA-O 3.36Å; L283-L316 HydrophobicContact CB-CB 4.44Å; L283-L316 HydrophobicContact CD1-CB 3.53Å; L283-V318 HydrophobicContact CD1-CG2 3.91Å; L283-V318 HydrophobicContact CD2-CG2 4.35Å; L283-V318 HydrophobicContact CG-CG2 4.37Å
284T94.1Very high90.7Very high15 Ų1542.3 Ų42.39%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-93.3120.7172.6-47.10000111.1K268 E270 W286 L316 V318K268-T284 HydrophobicContact CB-CG2 4.23Å; K268-T284 HydrophobicContact CD-CG2 4.27Å; E270-T284 PolarHBondContact OE1-OG1 3.47Å; E270-T284 PolarHBondContact OE2-OG1 3.29Å; T284-W286 HydrophobicContact CG2-CD2 4.32Å; T284-W286 HydrophobicContact CG2-CH2 4.5Å; T284-W286 HydrophobicContact CG2-CZ2 3.71Å; T284-L316 PolarHBondContact N-O 3.43Å; T284-V318 PolarHBondContact O-N 3.06Å
285L93.7Very high90.2Very high0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-93.1153.7166.3-59.1-172.5000110.5K268 R269 L271 L283 A290 F293 V318 L324K268-L285 VanDerWaalsContact CA-O 3.25Å; K268-L285 WeakPolarHBondContact CA-O 3.38Å; R269-L285 PolarHBondContact N-O 3.43Å; R269-L285 PolarHBondContact O-N 2.78Å; L271-L285 HydrophobicContact CD1-CD1 3.59Å; L271-L285 HydrophobicContact CD1-CG 4Å; L271-L285 HydrophobicContact CG-CD1 4.15Å; L271-L285 HydrophobicContact CG-CG 4.29Å; L283-L285 HydrophobicContact CD2-CD2 3.86Å; L283-L285 HydrophobicContact CG-CD2 4.3Å; L285-A290 HydrophobicContact CB-CB 4.07Å; L285-F293 HydrophobicContact CD1-CB 3.87Å; L285-F293 HydrophobicContact CD1-CD1 4.39Å; L285-F293 HydrophobicContact CD1-CD2 3.89Å; L285-F293 HydrophobicContact CD1-CG 3.78Å; L285-V318 HydrophobicContact CD2-CB 4.23Å; L285-V318 HydrophobicContact CD2-CG2 3.43Å; L285-V318 VanDerWaalsContact CD2-CG2 3.43Å; L285-L324 HydrophobicContact CD2-CD2 4.04Å
286W90.9Very high89.6Confident75 Ų7546.8 Ų46.828%0.28427%0.267SS..EExtended strand (participates in β ladder)trans-131.9149.4-176.1-61.392.2000112.5I257 L266 R267 K268 T284 E289 A290 S317I257-W286 HydrophobicContact CD1-CH2 3.9Å; I257-W286 HydrophobicContact CD1-CZ3 3.55Å; I257-W286 HydrophobicContact CG1-CZ3 4.45Å; L266-W286 HydrophobicContact CB-CE3 4.5Å; L266-W286 HydrophobicContact CB-CZ3 4.43Å; L266-W286 HydrophobicContact CD1-CZ3 4.18Å; R267-W286 CarbonylContact O-C 3.55Å; R267-W286 WeakPolarHBondContact O-CA 3.37Å; K268-W286 HydrophobicContact CB-CD2 4.45Å; K268-W286 HydrophobicContact CB-CE3 3.99Å; K268-W286 HydrophobicContact CB-CZ3 4.14Å; T284-W286 HydrophobicContact CG2-CD2 4.32Å; T284-W286 HydrophobicContact CG2-CH2 4.5Å; T284-W286 HydrophobicContact CG2-CZ2 3.71Å; W286-E289 PolarHBondContact O-N 2.84Å; W286-A290 PolarHBondContact O-N 2.88Å; W286-S317 PolarHBondContact NE1-OG 2.8Å
287G87.5Confident89.3Confident32 Ų3247.8 Ų47.833%0.3327%0.274SS..Hα-helixtrans58.7-134.417300000113.4R267 E289 A290 E291R267-G287 PolarHBondContact O-N 3.25Å; G287-E289 VanDerWaalsContact C-N 3.27Å; G287-E289 PolarHBondContact O-N 2.81Å; G287-A290 WeakPolarHBondContact O-CA 3.29Å; G287-A290 VanDerWaalsContact O-CB 3.29Å; G287-A290 WeakPolarHBondContact O-CB 3.22Å; G287-A290 PolarHBondContact O-N 2.83Å; G287-E291 PolarHBondContact O-N 3.14Å
288E85.9Confident89.4Confident92 Ų9248.8 Ų48.843%0.4327%0.274SS..Hα-helixtrans-61-34.3-179.4-67.6-177.6179.200112.8A290 E291 N292E288-A290 PolarHBondContact O-N 2.78Å; E288-E291 PolarHBondContact O-N 2.93Å; E288-N292 VanDerWaalsContact O-CB 3.31Å; E288-N292 WeakPolarHBondContact O-CB 3.5Å; E288-N292 PolarHBondContact O-N 2.84Å; E288-N292 PolarHBondContact O-ND2 2.94Å
289E87.5Confident89.8Confident49 Ų4945.7 Ų45.723%0.22926%0.257CS..Hα-helixtrans-63.4-36.7174.4-63.9172.4173.100110.4A131 W286 G287 F293 V318A131-E289 HydrophobicContact CB-CG 4.47Å; W286-E289 PolarHBondContact O-N 2.84Å; G287-E289 VanDerWaalsContact C-N 3.27Å; G287-E289 PolarHBondContact O-N 2.81Å; E289-F293 WeakPolarHBondContact O-CB 2.79Å; E289-F293 PolarHBondContact O-N 3.23Å; E289-V318 WeakPolarHBondContact OE2-CG1 3.44Å
290A91.1Very high90.2Very high0 Ų045.1 Ų45.10%025%0.253CS..Hα-helixtrans-69.2-38.8174.400000112.1R269 L285 W286 G287 E288R269-A290 HydrophobicContact CB-CB 3.72Å; R269-A290 WeakPolarHBondContact CD-O 3.39Å; R269-A290 PolarHBondContact NE-O 2.71Å; R269-A290 VanDerWaalsContact NE-O 3.14Å; R269-A290 PolarHBondContact NH1-O 2.68Å; L285-A290 HydrophobicContact CB-CB 4.07Å; W286-A290 PolarHBondContact O-N 2.88Å; G287-A290 WeakPolarHBondContact O-CA 3.29Å; G287-A290 VanDerWaalsContact O-CB 3.29Å; G287-A290 WeakPolarHBondContact O-CB 3.22Å; G287-A290 PolarHBondContact O-N 2.83Å; E288-A290 PolarHBondContact O-N 2.78Å
291E90.5Very high90.4Very high87 Ų8744.7 Ų44.741%0.40725%0.251SS..Hα-helixtrans-76.5-47.9-175.5-69.4178.615400112.6V254 R267 R269 G287 E288 F293V254-E291 HydrophobicContact CG1-CG 4.23Å; R267-E291 HydrophobicContact CB-CG 4.19Å; R267-E291 VanDerWaalsContact CD-OE1 3.32Å; R267-E291 WeakPolarHBondContact CD-OE1 3.45Å; R267-E291 HydrophobicContact CG-CG 4.4Å; R267-E291 WeakPolarHBondContact CG-OE1 3.47Å; R267-E291 IonicContact NE-OE1 2.99Å; R269-E291 PolarHBondContact NH1-O 3.38Å; G287-E291 PolarHBondContact O-N 3.14Å; E288-E291 PolarHBondContact O-N 2.93Å; E291-F293 VanDerWaalsContact C-N 3.34Å; E291-F293 PolarHBondContact O-N 3.42Å
292N90.1Very high90.5Very high117 Ų11744.7 Ų44.763%0.62625%0.251SS*.Hα-helixtrans-85.2-5.6-172-63.7-32.6000113.7E288 V294E288-N292 VanDerWaalsContact O-CB 3.31Å; E288-N292 WeakPolarHBondContact O-CB 3.5Å; E288-N292 PolarHBondContact O-N 2.84Å; E288-N292 PolarHBondContact O-ND2 2.94Å; N292-V294 PolarHBondContact O-N 2.83Å
293F91Very high90.4Very high10 Ų1040.3 Ų40.34%0.04424%0.235CC..  trans-65.4133179.8-174.4-95.3000111.9V248 R269 L271 L285 E289 E291 G295 P299 I301 I326V248-F293 HydrophobicContact CG1-CE1 4.34Å; V248-F293 HydrophobicContact CG2-CE1 4.38Å; V248-F293 HydrophobicContact CG2-CZ 3.84Å; R269-F293 PolarHBondContact NH1-O 3.07Å; L271-F293 HydrophobicContact CD1-CD1 3.98Å; L271-F293 HydrophobicContact CD1-CD2 4.41Å; L271-F293 HydrophobicContact CD1-CE1 3.61Å; L271-F293 HydrophobicContact CD1-CE2 4.12Å; L271-F293 HydrophobicContact CD1-CG 4.38Å; L271-F293 HydrophobicContact CD1-CZ 3.74Å; L271-F293 HydrophobicContact CD2-CD1 3.83Å; L271-F293 HydrophobicContact CD2-CE1 3.72Å; L271-F293 HydrophobicContact CG-CE1 4.36Å; L285-F293 HydrophobicContact CD1-CB 3.87Å; L285-F293 HydrophobicContact CD1-CD1 4.39Å; L285-F293 HydrophobicContact CD1-CD2 3.89Å; L285-F293 HydrophobicContact CD1-CG 3.78Å; E289-F293 WeakPolarHBondContact O-CB 2.79Å; E289-F293 PolarHBondContact O-N 3.23Å; E291-F293 VanDerWaalsContact C-N 3.34Å; E291-F293 PolarHBondContact O-N 3.42Å; F293-G295 VanDerWaalsContact CE1-CA 3.47Å; F293-P299 HydrophobicContact CE2-CG 4.39Å; F293-P299 HydrophobicContact CZ-CG 3.7Å; F293-I301 HydrophobicContact CE2-CD1 3.5Å; F293-I301 HydrophobicContact CE2-CG1 4.22Å; F293-I301 HydrophobicContact CZ-CD1 3.63Å; F293-I301 HydrophobicContact CZ-CG1 4.4Å; F293-I326 HydrophobicContact CD2-CD1 3.84Å; F293-I326 HydrophobicContact CE2-CD1 3.94Å; F293-I326 HydrophobicContact CE2-CG1 4.27Å
294V89.4Confident90.1Very high104 Ų10441.7 Ų41.763%0.6324%0.241SC*.  trans-114.4100.7177.9-177.60000108.8N292N292-V294 PolarHBondContact O-N 2.83Å
295G83.7Confident89.8Confident11 Ų1141.7 Ų41.711%0.11324%0.242CC..  trans-89.6-6-176.500000115.9F293 S297 H298F293-G295 VanDerWaalsContact CE1-CA 3.47Å; G295-S297 PolarHBondContact O-N 2.74Å; G295-S297 VanDerWaalsContact O-N 3.12Å; G295-H298 PolarHBondContact O-N 2.85Å; G295-H298 VanDerWaalsContact O-N 3.14Å
296A80.5Confident89.7Confident92 Ų9241.7 Ų41.776%0.7624%0.242SC*.THydrogen-bonded Turntrans-61.5-26.8-166.900000114.8
297S85.9Confident89.7Confident90 Ų9041.3 Ų41.363%0.62924%0.243SC*.THydrogen-bonded Turntrans-95.712.1-177.854.70000114.1G295G295-S297 PolarHBondContact O-N 2.74Å; G295-S297 VanDerWaalsContact O-N 3.12Å
298H90.4Very high89.9Confident59 Ų5939.9 Ų39.927%0.27323%0.227SC..  trans48.156.6-171.9-50.891.1000111.9V247 V248 G295 Y341V247-H298 HydrophobicContact CG1-CB 4.09Å; V247-H298 VanDerWaalsContact CG1-O 3.26Å; V247-H298 WeakPolarHBondContact CG1-O 3.36Å; V248-H298 VanDerWaalsContact O-CA 3.3Å; V248-H298 WeakPolarHBondContact O-CA 3.24Å; V248-H298 VanDerWaalsContact O-CB 3.3Å; V248-H298 WeakPolarHBondContact O-CB 3.43Å; V248-H298 PolarHBondContact O-CD2 2.94Å; V248-H298 VanDerWaalsContact O-CD2 3.24Å; G295-H298 PolarHBondContact O-N 2.85Å; G295-H298 VanDerWaalsContact O-N 3.14Å; H298-Y341 HydrophobicContact CB-CD1 4.35Å; H298-Y341 HydrophobicContact CB-CE1 3.6Å; H298-Y341 AromaticContact CD2-CZ 4Å; H298-Y341 PolarHBondContact CD2-OH 2.88Å; H298-Y341 AromaticContact CG-CE1 3.76Å
299P94.4Very high89.9Confident5 Ų537.3 Ų37.33%0.03222%0.219CC..  trans-62.5148.7-176.929-37.2000111V248 F293 I326 S327V248-P299 HydrophobicContact CB-CG 4.37Å; V248-P299 HydrophobicContact CG2-CG 4.28Å; V248-P299 PolarHBondContact N-O 2.81Å; F293-P299 HydrophobicContact CE2-CG 4.39Å; F293-P299 HydrophobicContact CZ-CG 3.7Å; P299-I326 HydrophobicContact CB-CG2 3.93Å; P299-I326 HydrophobicContact CG-CG2 4.44Å; P299-S327 WeakPolarHBondContact CB-OG 3.33Å
300V95.6Very high89.6Confident6 Ų636.9 Ų36.94%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-80.6127.9168.4-174.50000108.4V245 V247 S327 A334 K338V245-V300 HydrophobicContact CG2-CG1 3.9Å; V247-V300 HydrophobicContact CG2-CG2 3.96Å; V300-S327 WeakPolarHBondContact O-CA 3.38Å; V300-S327 PolarHBondContact O-N 2.7Å; V300-A334 HydrophobicContact CG1-CB 3.81Å; V300-K338 HydrophobicContact CG2-CB 3.62Å; V300-K338 HydrophobicContact CG2-CG 4.12Å
301I95.1Very high88.6Confident1 Ų140.7 Ų40.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-107.8136.9177.2-65.7-177.2000108.9V245 G246 V248 L271 L273 F293 I303 L324 L325V245-I301 WeakPolarHBondContact CA-O 3.18Å; G246-I301 PolarHBondContact N-O 3.28Å; G246-I301 PolarHBondContact O-N 3.01Å; V248-I301 HydrophobicContact CG2-CD1 3.27Å; V248-I301 HydrophobicContact CG2-CG1 3.74Å; L271-I301 HydrophobicContact CD1-CD1 3.76Å; L273-I301 HydrophobicContact CD2-CD1 4.32Å; F293-I301 HydrophobicContact CE2-CD1 3.5Å; F293-I301 HydrophobicContact CE2-CG1 4.22Å; F293-I301 HydrophobicContact CZ-CD1 3.63Å; F293-I301 HydrophobicContact CZ-CG1 4.4Å; I301-I303 HydrophobicContact CG2-CD1 4.09Å; I301-I303 HydrophobicContact CG2-CG1 3.59Å; I301-L324 HydrophobicContact CD1-CD1 4.46Å; I301-L324 HydrophobicContact CG2-CD1 3.2Å; I301-L324 HydrophobicContact CG2-CG 4.4Å; I301-L325 WeakPolarHBondContact CA-O 3.3Å
302V93.7Very high87.5Confident1 Ų141.8 Ų41.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-113.8127.9165.81700000108.4F225 F227 I244 V245 L325 P328 I331 A334F225-V302 HydrophobicContact CD1-CG1 3.89Å; F225-V302 HydrophobicContact CE1-CG1 3.41Å; F225-V302 VanDerWaalsContact CE1-CG1 3.41Å; F225-V302 HydrophobicContact CZ-CG1 3.8Å; F227-V302 HydrophobicContact CE1-CG1 3.85Å; F227-V302 HydrophobicContact CZ-CG1 3.81Å; F227-V302 HydrophobicContact CZ-CG2 4.32Å; I244-V302 WeakPolarHBondContact O-CA 3.45Å; V245-V302 HydrophobicContact CB-CG2 4.15Å; V245-V302 HydrophobicContact CG2-CG2 3.78Å; V302-L325 HydrophobicContact CB-CB 4.23Å; V302-L325 HydrophobicContact CG1-CD1 4.48Å; V302-L325 PolarHBondContact N-O 2.92Å; V302-L325 PolarHBondContact O-N 2.84Å; V302-P328 HydrophobicContact CB-CG 4.21Å; V302-P328 HydrophobicContact CG2-CG 3.73Å; V302-I331 HydrophobicContact CB-CD1 4.19Å; V302-I331 HydrophobicContact CG1-CD1 3.89Å; V302-I331 HydrophobicContact CG2-CD1 3.98Å; V302-I331 HydrophobicContact CG2-CG2 4.38Å; V302-A334 HydrophobicContact CG2-CB 3.95Å
303I92.2Very high86.9Confident0 Ų037.2 Ų37.20%022%0.224CC..EExtended strand (participates in β ladder)trans-121.1123.1177.4-42.3173.4000108.8D243 I244 L273 L283 I301 A306 V318 S323 L324D243-I303 CarbonylContact C-O 3.57Å; D243-I303 WeakPolarHBondContact CA-O 3.48Å; I244-I303 HydrophobicContact CG2-CB 3.98Å; I244-I303 HydrophobicContact CG2-CD1 3.94Å; I244-I303 HydrophobicContact CG2-CG1 4.05Å; I244-I303 PolarHBondContact N-O 2.89Å; I244-I303 PolarHBondContact O-N 3.01Å; L273-I303 HydrophobicContact CD1-CD1 4.29Å; L283-I303 HydrophobicContact CD1-CD1 3.52Å; L283-I303 HydrophobicContact CD2-CD1 3.45Å; L283-I303 VanDerWaalsContact CD2-CD1 3.45Å; L283-I303 HydrophobicContact CG-CD1 4.11Å; I301-I303 HydrophobicContact CG2-CD1 4.09Å; I301-I303 HydrophobicContact CG2-CG1 3.59Å; I303-A306 HydrophobicContact CB-CB 4.15Å; I303-A306 HydrophobicContact CD1-CB 4.49Å; I303-A306 HydrophobicContact CG2-CB 3.78Å; I303-V318 HydrophobicContact CD1-CG2 4.39Å; I303-S323 CarbonylContact C-O 3.52Å; I303-S323 VanDerWaalsContact CA-O 3.27Å; I303-S323 WeakPolarHBondContact CA-O 3.29Å; I303-L324 HydrophobicContact CD1-CD1 4.24Å; I303-L324 HydrophobicContact CG1-CD1 3.79Å
304K88.2Confident86.6Confident30 Ų3038.6 Ų38.613%0.1323%0.229CC..EExtended strand (participates in β ladder)trans-89.3132.4165.8-161.7164.4178.567.20109.4Q128 T223 H224 F225 D243 A306 S322 S323Q128-K304 HydrophobicContact CG-CD 4.07Å; T223-K304 HydrophobicContact CG2-CD 3.85Å; H224-K304 PolarHBondContact O-NZ 2.93Å; F225-K304 HydrophobicContact CD1-CB 4.44Å; F225-K304 HydrophobicContact CD1-CG 4.5Å; F225-K304 HydrophobicContact CE1-CB 3.96Å; F225-K304 HydrophobicContact CE1-CD 4.28Å; F225-K304 HydrophobicContact CE1-CG 4.34Å; D243-K304 WeakPolarHBondContact OD1-CA 3.49Å; D243-K304 VanDerWaalsContact OD1-CG 3.3Å; D243-K304 WeakPolarHBondContact OD1-CG 3.41Å; D243-K304 IonicContact OD2-NZ 3.27Å; D243-K304 PolarHBondContact OD2-NZ 2.98Å; K304-A306 PolarHBondContact O-N 2.97Å; K304-S322 WeakPolarHBondContact O-CA 3.25Å; K304-S323 PolarHBondContact N-O 2.85Å; K304-S323 PolarHBondContact O-N 3.26Å
305A87.7Confident86.7Confident15 Ų1534 Ų3412%0.12420%0.202CC..EExtended strand (participates in β ladder)trans52.452.2179.600000113.7F241 V242 D243 S322F241-A305 HydrophobicContact CB-CB 4.07Å; F241-A305 HydrophobicContact CD1-CB 4.26Å; F241-A305 WeakPolarHBondContact CD1-O 3.44Å; F241-A305 HydrophobicContact CG-CB 4.48Å; V242-A305 CarbonylContact O-C 3.46Å; V242-A305 WeakPolarHBondContact O-CA 3.49Å; V242-A305 PolarHBondContact O-N 3.17Å; D243-A305 PolarHBondContact OD1-N 2.8Å; A305-S322 WeakPolarHBondContact O-CB 3.29Å; A305-S322 PolarHBondContact O-OG 3.32Å
306A91.7Very high87.2Confident0 Ų033.5 Ų33.50%020%0.196CC..EExtended strand (participates in β ladder)trans-66.7132.1166.600000109.8F241 V242 I244 I303 K304 L316F241-A306 CarbonylContact C-O 3.46Å; F241-A306 VanDerWaalsContact CA-O 3.3Å; F241-A306 WeakPolarHBondContact CA-O 3.39Å; V242-A306 HydrophobicContact CG2-CB 4.49Å; V242-A306 PolarHBondContact N-O 2.87Å; V242-A306 PolarHBondContact O-N 3.47Å; I244-A306 HydrophobicContact CG2-CB 4.49Å; I303-A306 HydrophobicContact CB-CB 4.15Å; I303-A306 HydrophobicContact CD1-CB 4.49Å; I303-A306 HydrophobicContact CG2-CB 3.78Å; K304-A306 PolarHBondContact O-N 2.97Å; A306-L316 HydrophobicContact CB-CD2 4.32Å
307K92.1Very high87.8Confident66 Ų6630.2 Ų30.229%0.28717%0.168SC..EExtended strand (participates in β ladder)trans-79.5125.3179.4-173.6-177177.4-170.80109.8F241 L316 S317F241-K307 HydrophobicContact CD1-CB 4.03Å; F241-K307 HydrophobicContact CE1-CB 3.84Å; F241-K307 HydrophobicContact CE1-CG 4.15Å; K307-L316 CarbonylContact O-C 3.24Å; K307-L316 WeakPolarHBondContact O-CA 3.32Å; K307-S317 PolarHBondContact N-O 3.44Å; K307-S317 PolarHBondContact O-N 2.85Å
308I90.5Very high88.1Confident2 Ų226.2 Ų26.21%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-78.6137.2174.9-65-174.8000110.6L233 Q236 G239 S240 V242 L316L233-I308 HydrophobicContact CD2-CD1 3.89Å; L233-I308 HydrophobicContact CD2-CG1 4.48Å; Q236-I308 HydrophobicContact CB-CD1 3.35Å; Q236-I308 HydrophobicContact CG-CD1 3.93Å; G239-I308 WeakPolarHBondContact CA-O 3.17Å; G239-I308 PolarHBondContact N-O 3.06Å; S240-I308 PolarHBondContact O-N 3.21Å; V242-I308 HydrophobicContact CB-CD1 4.2Å; V242-I308 HydrophobicContact CG1-CD1 3.39Å; V242-I308 HydrophobicContact CG1-CG1 4.08Å; V242-I308 HydrophobicContact CG2-CD1 3.74Å; V242-I308 HydrophobicContact CG2-CG1 3.74Å; I308-L316 HydrophobicContact CG1-CD2 3.8Å
309S86.7Confident87.8Confident38 Ų3824.2 Ų24.227%0.26613%0.132SC..EExtended strand (participates in β ladder)trans-128.4155.1168.3175.40000110.1F311 R314 S315S309-F311 VanDerWaalsContact C-N 3.29Å; S309-F311 PolarHBondContact OG-N 3.39Å; S309-R314 WeakPolarHBondContact O-CA 3.31Å; S309-S315 WeakPolarHBondContact CB-OG 3.16Å; S309-S315 PolarHBondContact N-O 3.42Å; S309-S315 PolarHBondContact O-N 2.64Å
310D81.8Confident86.9Confident40 Ų4026.8 Ų26.821%0.21415%0.149CC..  trans-89.69.5174.263.7-45.5000112.8P238 N312 G313 A364P238-D310 HydrophobicContact CB-CB 4.37Å; P238-D310 HydrophobicContact CG-CB 4.1Å; D310-N312 PolarHBondContact O-N 3.41Å; D310-G313 CarbonylContact C-O 3.31Å; D310-G313 VanDerWaalsContact C-O 3.24Å; D310-G313 WeakPolarHBondContact CA-O 3.42Å; D310-G313 PolarHBondContact O-N 3.04Å; D310-A364 VanDerWaalsContact OD2-C 3.3Å; D310-A364 PolarHBondContact OD2-N 2.99Å; D310-A364 VanDerWaalsContact OD2-O 3.06Å
311F68.3Low85.9Confident81 Ų8127.1 Ų27.136%0.35515%0.151SC..THydrogen-bonded Turntrans-68.6121.5-178-178-99.6000111.2S309 G313S309-F311 VanDerWaalsContact C-N 3.29Å; S309-F311 PolarHBondContact OG-N 3.39Å; F311-G313 VanDerWaalsContact C-N 3.35Å
312N68.9Low85.4Confident110 Ų11027.3 Ų27.359%0.58815%0.153SC*.THydrogen-bonded Turntrans54.145.9-174.3-71.7-11.7000113.2D310D310-N312 PolarHBondContact O-N 3.41Å
313G76.4Confident84.9Confident20 Ų2027.6 Ų27.621%0.20616%0.155CC..SBendtrans98.2-97.4-176.700000109.4D310 F311D310-G313 CarbonylContact C-O 3.31Å; D310-G313 VanDerWaalsContact C-O 3.24Å; D310-G313 WeakPolarHBondContact CA-O 3.42Å; D310-G313 PolarHBondContact O-N 3.04Å; F311-G313 VanDerWaalsContact C-N 3.35Å
314R85.2Confident84.8Confident39 Ų3929.1 Ų29.115%0.14716%0.163CC..SBendtrans-126.7137.3169.6-61.5-64.2177.9172.813.7110.2L233 D234 Q236 V281 S309 F353L233-R314 HydrophobicContact CB-CB 4.42Å; L233-R314 HydrophobicContact CB-CG 4.41Å; D234-R314 PolarHBondContact O-NH2 3.33Å; D234-R314 WeakPolarHBondContact OD1-CG 3.46Å; D234-R314 IonicContact OD1-CZ 2.71Å; D234-R314 IonicContact OD1-NE 3.87Å; D234-R314 PolarHBondContact OD1-NE 2.8Å; Q236-R314 PolarHBondContact O-NH1 2.85Å; Q236-R314 PolarHBondContact O-NH2 2.81Å; V281-R314 WeakPolarHBondContact CG2-O 3.43Å; S309-R314 WeakPolarHBondContact O-CA 3.31Å; R314-F353 HydrophobicContact CB-CB 4.12Å; R314-F353 HydrophobicContact CB-CD1 3.85Å; R314-F353 HydrophobicContact CB-CD2 3.87Å; R314-F353 HydrophobicContact CB-CE1 4.31Å; R314-F353 HydrophobicContact CB-CE2 4.32Å; R314-F353 HydrophobicContact CB-CG 3.64Å; R314-F353 HydrophobicContact CG-CB 4.46Å; R314-F353 HydrophobicContact CG-CD1 3.62Å; R314-F353 HydrophobicContact CG-CE1 4.02Å; R314-F353 HydrophobicContact CG-CG 3.94Å
315S91.7Very high84.8Confident7 Ų729.5 Ų29.55%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-141164.1171.766.80000110.4R282 S309R282-S315 CarbonylContact O-C 3.55Å; R282-S315 WeakPolarHBondContact O-CA 3.42Å; R282-S315 WeakPolarHBondContact O-CB 3.14Å; S309-S315 WeakPolarHBondContact CB-OG 3.16Å; S309-S315 PolarHBondContact N-O 3.42Å; S309-S315 PolarHBondContact O-N 2.64Å
316L94Very high85Confident1 Ų133 Ų331%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-120.4147.3179.2-60.7172.3000108.4L233 V242 I244 V281 R282 L283 T284 A306 K307 I308L233-L316 HydrophobicContact CD1-CD1 4.25Å; L233-L316 HydrophobicContact CD1-CD2 4.33Å; L233-L316 HydrophobicContact CD1-CG 4.4Å; L233-L316 HydrophobicContact CD2-CD2 4.25Å; V242-L316 HydrophobicContact CG2-CD2 4.18Å; I244-L316 HydrophobicContact CD1-CD1 3.47Å; I244-L316 VanDerWaalsContact CD1-CD1 3.47Å; I244-L316 HydrophobicContact CG2-CD1 4.07Å; V281-L316 HydrophobicContact CG1-CD1 3.84Å; V281-L316 HydrophobicContact CG2-CD1 4.24Å; V281-L316 HydrophobicContact CG2-CG 4.03Å; R282-L316 PolarHBondContact O-N 3.06Å; L283-L316 CarbonylContact C-O 3.51Å; L283-L316 VanDerWaalsContact CA-O 3.29Å; L283-L316 WeakPolarHBondContact CA-O 3.36Å; L283-L316 HydrophobicContact CB-CB 4.44Å; L283-L316 HydrophobicContact CD1-CB 3.53Å; T284-L316 PolarHBondContact N-O 3.43Å; A306-L316 HydrophobicContact CB-CD2 4.32Å; K307-L316 CarbonylContact O-C 3.24Å; K307-L316 WeakPolarHBondContact O-CA 3.32Å; I308-L316 HydrophobicContact CG1-CD2 3.8Å
317S93.3Very high85Confident24 Ų2436 Ų3617%0.16820%0.202CC..EExtended strand (participates in β ladder)trans-129.4134.8169.4-177.90000109.2W286 K307W286-S317 PolarHBondContact NE1-OG 2.8Å; K307-S317 PolarHBondContact N-O 3.44Å; K307-S317 PolarHBondContact O-N 2.85Å
318V91.3Very high84.9Confident5 Ų533.7 Ų33.73%0.0319%0.194CC..  trans-70.7133.8163.8-174.70000107.5L283 T284 L285 E289 I303L283-V318 HydrophobicContact CD1-CG2 3.91Å; L283-V318 HydrophobicContact CD2-CG2 4.35Å; L283-V318 HydrophobicContact CG-CG2 4.37Å; T284-V318 PolarHBondContact O-N 3.06Å; L285-V318 HydrophobicContact CD2-CB 4.23Å; L285-V318 HydrophobicContact CD2-CG2 3.43Å; L285-V318 VanDerWaalsContact CD2-CG2 3.43Å; E289-V318 WeakPolarHBondContact OE2-CG1 3.44Å; I303-V318 HydrophobicContact CD1-CG2 4.39Å
319S83.9Confident84.8Confident17 Ų1739.6 Ų39.612%0.11923%0.23CC..  trans-124.9169.2-17380.90000109.9T321 S322S319-T321 PolarHBondContact O-N 2.82Å; S319-T321 PolarHBondContact OG-N 3.44Å; S319-T321 PolarHBondContact OG-OG1 3.26Å; S319-S322 PolarHBondContact N-OG 3.33Å; S319-S322 WeakPolarHBondContact O-CB 3.38Å; S319-S322 PolarHBondContact O-N 3.45Å; S319-S322 PolarHBondContact OG-OG 3.17Å
320P75.8Confident84.6Confident59 Ų5942.5 Ų42.538%0.38324%0.243SC..THydrogen-bonded Turntrans-52.4-24.3175.8-20.125.9000115.8R133R133-P320 VanDerWaalsContact NH1-CG 3.35Å
321T75Confident84.8Confident13 Ų1341 Ų418%0.0824%0.235CC..THydrogen-bonded Turntrans-101.6-3.6-176.753.80000112.4T194 S319T194-T321 HydrophobicContact CG2-CG2 3.87Å; S319-T321 PolarHBondContact O-N 2.82Å; S319-T321 PolarHBondContact OG-N 3.44Å; S319-T321 PolarHBondContact OG-OG1 3.26Å
322S84.7Confident85.9Confident5 Ų541.5 Ų41.54%0.03525%0.246CC..  trans-83.5150178.9-52.50000110.6K304 A305 S319K304-S322 WeakPolarHBondContact O-CA 3.25Å; A305-S322 WeakPolarHBondContact O-CB 3.29Å; A305-S322 PolarHBondContact O-OG 3.32Å; S319-S322 PolarHBondContact N-OG 3.33Å; S319-S322 WeakPolarHBondContact O-CB 3.38Å; S319-S322 PolarHBondContact O-N 3.45Å; S319-S322 PolarHBondContact OG-OG 3.17Å
323S84Confident86.9Confident7 Ų739.5 Ų39.55%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-117.8128.1169.6-175.40000109.3I303 K304I303-S323 CarbonylContact C-O 3.52Å; I303-S323 VanDerWaalsContact CA-O 3.27Å; I303-S323 WeakPolarHBondContact CA-O 3.29Å; K304-S323 PolarHBondContact N-O 2.85Å; K304-S323 PolarHBondContact O-N 3.26Å
324L89.3Confident87.8Confident33 Ų3338.6 Ų38.617%0.17322%0.224CC..EExtended strand (participates in β ladder)trans-110.2118.6-177.5-17970.7000109.6L285 I301 I303L285-L324 HydrophobicContact CD2-CD2 4.04Å; I301-L324 HydrophobicContact CD1-CD1 4.46Å; I301-L324 HydrophobicContact CG2-CD1 3.2Å; I301-L324 HydrophobicContact CG2-CG 4.4Å; I303-L324 HydrophobicContact CD1-CD1 4.24Å; I303-L324 HydrophobicContact CG1-CD1 3.79Å
325L88.9Confident88.2Confident37 Ų3741.3 Ų41.319%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-111.3129.2173.3-58176000109.4F225 I301 V302 P328 I331F225-L325 HydrophobicContact CZ-CD1 4.17Å; I301-L325 WeakPolarHBondContact CA-O 3.3Å; V302-L325 HydrophobicContact CB-CB 4.23Å; V302-L325 HydrophobicContact CG1-CD1 4.48Å; V302-L325 PolarHBondContact N-O 2.92Å; V302-L325 PolarHBondContact O-N 2.84Å; L325-P328 HydrophobicContact CB-CB 4.42Å; L325-P328 HydrophobicContact CB-CG 4.29Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å
326I91.9Very high88.3Confident90 Ų9049.3 Ų49.346%0.46227%0.27SS..EExtended strand (participates in β ladder)trans-105.6121.8-179.1-55.2175.1000108.6F293 P299F293-I326 HydrophobicContact CD2-CD1 3.84Å; F293-I326 HydrophobicContact CE2-CD1 3.94Å; F293-I326 HydrophobicContact CE2-CG1 4.27Å; P299-I326 HydrophobicContact CB-CG2 3.93Å; P299-I326 HydrophobicContact CG-CG2 4.44Å
327S91.3Very high88.3Confident61 Ų6149.7 Ų49.743%0.42727%0.272SS..SBendtrans4852.2-179.3-60.70000114.4P299 V300 T329P299-S327 WeakPolarHBondContact CB-OG 3.33Å; V300-S327 WeakPolarHBondContact O-CA 3.38Å; V300-S327 PolarHBondContact O-N 2.7Å; S327-T329 PolarHBondContact O-N 3.33Å
328P89.5Confident88.3Confident18 Ų1853.9 Ų53.912%0.11729%0.287CS..  trans-64.8133.1178.828.2-33.4000111V302 L325 I331 A334V302-P328 HydrophobicContact CB-CG 4.21Å; V302-P328 HydrophobicContact CG2-CG 3.73Å; L325-P328 HydrophobicContact CB-CB 4.42Å; L325-P328 HydrophobicContact CB-CG 4.29Å; P328-I331 HydrophobicContact CB-CB 4.47Å; P328-I331 HydrophobicContact CB-CD1 3.97Å; P328-I331 HydrophobicContact CB-CG1 4.11Å; P328-I331 HydrophobicContact CG-CB 4.31Å; P328-I331 HydrophobicContact CG-CD1 3.88Å; P328-I331 HydrophobicContact CG-CG1 4.27Å; P328-A334 HydrophobicContact CG-CB 3.87Å
329T88.5Confident88.4Confident126 Ų12654.7 Ų54.777%0.77330%0.297SS*.SBendtrans-95.1-0.7-179.453.80000113.6S327S327-T329 PolarHBondContact O-N 3.33Å
330N83.1Confident88.8Confident100 Ų10055.8 Ų55.854%0.53530%0.298SS..SBendtrans-113.77.9-17766.3-41.4000113
331I86.5Confident89.6Confident8 Ų853.5 Ų53.54%0.04128%0.282CS..  trans-112.8109.9178.8-60.3-178.1000108.6F225 F227 V302 L325 P328 E333 A334 I335F225-I331 HydrophobicContact CD2-CD1 4.36Å; F225-I331 HydrophobicContact CE2-CD1 3.64Å; F225-I331 HydrophobicContact CE2-CG1 4.45Å; F225-I331 HydrophobicContact CZ-CD1 3.89Å; F227-I331 HydrophobicContact CE2-CG2 4.11Å; F227-I331 HydrophobicContact CZ-CG2 4.18Å; V302-I331 HydrophobicContact CB-CD1 4.19Å; V302-I331 HydrophobicContact CG1-CD1 3.89Å; V302-I331 HydrophobicContact CG2-CD1 3.98Å; V302-I331 HydrophobicContact CG2-CG2 4.38Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å; P328-I331 HydrophobicContact CB-CB 4.47Å; P328-I331 HydrophobicContact CB-CD1 3.97Å; P328-I331 HydrophobicContact CB-CG1 4.11Å; P328-I331 HydrophobicContact CG-CB 4.31Å; P328-I331 HydrophobicContact CG-CD1 3.88Å; P328-I331 HydrophobicContact CG-CG1 4.27Å; I331-E333 VanDerWaalsContact C-N 3.29Å; I331-E333 HydrophobicContact CG2-CB 4.41Å; I331-E333 PolarHBondContact O-N 3.44Å; I331-A334 HydrophobicContact CB-CB 4.02Å; I331-A334 HydrophobicContact CG2-CB 4.13Å; I331-A334 WeakPolarHBondContact O-CB 3.3Å; I331-A334 PolarHBondContact O-N 3.01Å; I331-I335 PolarHBondContact O-N 3.29Å; I331-I335 VanDerWaalsContact O-N 3.11Å
332P90.7Very high90.3Very high91 Ų9158.4 Ų58.459%0.59130%0.304SS*.Hα-helixtrans-55.4-39.7-176.6-27.735.8000113.9A334 I335 R336P332-A334 VanDerWaalsContact C-N 3.32Å; P332-A334 PolarHBondContact O-N 3.05Å; P332-I335 PolarHBondContact O-N 2.93Å; P332-R336 WeakPolarHBondContact O-CB 3.21Å; P332-R336 PolarHBondContact O-N 2.93Å
333E90.9Very high90.3Very high68 Ų6865.3 Ų65.332%0.31834%0.335SS..Hα-helixtrans-64.2-37.6178.3-65.883.3172.200111.9F227 V245 I331 L337F227-E333 HydrophobicContact CD2-CB 4.12Å; F227-E333 HydrophobicContact CD2-CG 3.78Å; F227-E333 HydrophobicContact CE2-CB 3.98Å; F227-E333 HydrophobicContact CE2-CG 3.98Å; V245-E333 HydrophobicContact CG1-CB 4.16Å; I331-E333 VanDerWaalsContact C-N 3.29Å; I331-E333 HydrophobicContact CG2-CB 4.41Å; I331-E333 PolarHBondContact O-N 3.44Å; E333-L337 VanDerWaalsContact O-CB 3.24Å; E333-L337 WeakPolarHBondContact O-CB 3.27Å; E333-L337 PolarHBondContact O-N 3Å
334A93.6Very high90.3Very high2 Ų270.9 Ų70.92%0.01736%0.361CS..Hα-helixtrans-68.9-41.6177.200000111.4V245 V300 V302 P328 I331 P332 L337 K338V245-A334 HydrophobicContact CG2-CB 4.17Å; V300-A334 HydrophobicContact CG1-CB 3.81Å; V302-A334 HydrophobicContact CG2-CB 3.95Å; P328-A334 HydrophobicContact CG-CB 3.87Å; I331-A334 HydrophobicContact CB-CB 4.02Å; I331-A334 HydrophobicContact CG2-CB 4.13Å; I331-A334 WeakPolarHBondContact O-CB 3.3Å; I331-A334 PolarHBondContact O-N 3.01Å; P332-A334 VanDerWaalsContact C-N 3.32Å; P332-A334 PolarHBondContact O-N 3.05Å; A334-L337 PolarHBondContact O-N 2.82Å; A334-K338 WeakPolarHBondContact O-CB 3.45Å; A334-K338 PolarHBondContact O-N 2.64Å
335I94.1Very high89.7Confident95 Ų9569.3 Ų69.349%0.48735%0.353SS..Hα-helixtrans-62.8-47.8175.1-62.6161.9000110.4I331 P332 L337 K338 G339I331-I335 PolarHBondContact O-N 3.29Å; I331-I335 VanDerWaalsContact O-N 3.11Å; P332-I335 PolarHBondContact O-N 2.93Å; I335-L337 VanDerWaalsContact C-N 3.33Å; I335-L337 PolarHBondContact O-N 2.91Å; I335-K338 WeakPolarHBondContact O-CB 3.41Å; I335-K338 PolarHBondContact O-N 2.62Å; I335-G339 PolarHBondContact O-N 2.97Å; I335-G339 VanDerWaalsContact O-N 3.09Å
336R94.1Very high89.2Confident175 Ų17574.4 Ų74.466%0.6637%0.369SS*.Hα-helixtrans-59.4-45177.9-177-179.665.5-167.6-3.6111.2P332 G339 W340P332-R336 WeakPolarHBondContact O-CB 3.21Å; P332-R336 PolarHBondContact O-N 2.93Å; R336-G339 PolarHBondContact O-N 2.8Å; R336-W340 PolarHBondContact O-N 2.82Å
337L93.8Very high88.4Confident9 Ų978 Ų785%0.04738%0.381CS..Hα-helixtrans-69.3-35.6-178.3-162.371.9000112.2V245 V247 D275 E333 A334 I335 W340 Y341V245-L337 HydrophobicContact CG2-CD2 4.14Å; V247-L337 HydrophobicContact CG2-CB 4.47Å; V247-L337 HydrophobicContact CG2-CD2 3.69Å; V247-L337 HydrophobicContact CG2-CG 3.67Å; D275-L337 HydrophobicContact CB-CD1 3.98Å; D275-L337 HydrophobicContact CB-CD2 4.16Å; E333-L337 VanDerWaalsContact O-CB 3.24Å; E333-L337 WeakPolarHBondContact O-CB 3.27Å; E333-L337 PolarHBondContact O-N 3Å; A334-L337 PolarHBondContact O-N 2.82Å; I335-L337 VanDerWaalsContact C-N 3.33Å; I335-L337 PolarHBondContact O-N 2.91Å; L337-W340 HydrophobicContact CD1-CD2 4.29Å; L337-W340 HydrophobicContact CD1-CE3 3.53Å; L337-W340 HydrophobicContact CD1-CZ3 3.97Å; L337-W340 HydrophobicContact CG-CE3 4.09Å; L337-W340 PolarHBondContact O-N 2.83Å; L337-Y341 WeakPolarHBondContact O-CB 3.3Å; L337-Y341 PolarHBondContact O-N 2.88Å
338K93.5Very high87.6Confident112 Ų11276.9 Ų76.949%0.48737%0.374SS..Hα-helixtrans-57.3-51171-170.8179.8172.5-174.50111.1V300 A334 I335 Y341 E342V300-K338 HydrophobicContact CG2-CB 3.62Å; V300-K338 HydrophobicContact CG2-CG 4.12Å; A334-K338 WeakPolarHBondContact O-CB 3.45Å; A334-K338 PolarHBondContact O-N 2.64Å; I335-K338 WeakPolarHBondContact O-CB 3.41Å; I335-K338 PolarHBondContact O-N 2.62Å; K338-Y341 PolarHBondContact O-N 2.76Å; K338-E342 WeakPolarHBondContact CE-OE1 3.45Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 2.98Å
339G92.5Very high86.9Confident23 Ų2383.5 Ų83.524%0.23741%0.409CS..Hα-helixtrans-60.2-46.5177.800000112.4I335 R336 Y341 E342 H343I335-G339 PolarHBondContact O-N 2.97Å; I335-G339 VanDerWaalsContact O-N 3.09Å; R336-G339 PolarHBondContact O-N 2.8Å; G339-Y341 VanDerWaalsContact C-N 3.33Å; G339-Y341 PolarHBondContact O-N 3.16Å; G339-E342 PolarHBondContact O-N 3.44Å; G339-H343 PolarHBondContact O-CD2 3.44Å; G339-H343 PolarHBondContact O-N 2.76Å; G339-H343 VanDerWaalsContact O-N 3.07Å
340W93.6Very high86.5Confident40 Ų4078.9 Ų78.915%0.15238%0.378CS..Hα-helixtrans-57.6-43.6175.9165.976.7000112.5V274 D275 R336 L337 H343 E344 G345 F350V274-W340 HydrophobicContact CG2-CZ3 4.4Å; D275-W340 VanDerWaalsContact C-CZ3 3.43Å; D275-W340 WeakPolarHBondContact O-CH2 3.37Å; D275-W340 WeakPolarHBondContact O-CZ2 3.45Å; R336-W340 PolarHBondContact O-N 2.82Å; L337-W340 HydrophobicContact CD1-CD2 4.29Å; L337-W340 HydrophobicContact CD1-CE3 3.53Å; L337-W340 HydrophobicContact CD1-CZ3 3.97Å; L337-W340 HydrophobicContact CG-CE3 4.09Å; L337-W340 PolarHBondContact O-N 2.83Å; W340-H343 PolarHBondContact O-N 3.04Å; W340-E344 PolarHBondContact O-N 2.78Å; W340-G345 PolarHBondContact O-N 3.49Å; W340-F350 AromaticContact CH2-CE1 3.86Å; W340-F350 HydrophobicContact CH2-CE1 3.86Å; W340-F350 HydrophobicContact CH2-CZ 4.26Å; W340-F350 HydrophobicContact CZ2-CE1 4.43Å
341Y91.7Very high86.3Confident10 Ų1081 Ų814%0.03939%0.385CS..Hα-helixtrans-68.5-38.3179.9-173.4-98.7000112.5V247 H249 V274 H298 L337 K338 G339 R346 F350V247-Y341 HydrophobicContact CB-CD2 4.04Å; V247-Y341 HydrophobicContact CB-CE2 4.5Å; V247-Y341 HydrophobicContact CB-CG 4.04Å; V247-Y341 HydrophobicContact CG1-CD1 3.67Å; V247-Y341 HydrophobicContact CG1-CD2 4Å; V247-Y341 HydrophobicContact CG1-CE1 3.95Å; V247-Y341 HydrophobicContact CG1-CE2 4.27Å; V247-Y341 HydrophobicContact CG1-CG 3.69Å; V247-Y341 HydrophobicContact CG2-CD2 4.31Å; V247-Y341 HydrophobicContact CG2-CG 4.05Å; H249-Y341 AromaticContact ND1-CE2 3.75Å; H249-Y341 AromaticContact ND1-CZ 3.74Å; H249-Y341 PolarHBondContact ND1-OH 3.37Å; V274-Y341 HydrophobicContact CG2-CD2 3.93Å; V274-Y341 HydrophobicContact CG2-CE2 3.8Å; H298-Y341 HydrophobicContact CB-CD1 4.35Å; H298-Y341 HydrophobicContact CB-CE1 3.6Å; H298-Y341 AromaticContact CD2-CZ 4Å; H298-Y341 PolarHBondContact CD2-OH 2.88Å; H298-Y341 AromaticContact CG-CE1 3.76Å; L337-Y341 WeakPolarHBondContact O-CB 3.3Å; L337-Y341 PolarHBondContact O-N 2.88Å; K338-Y341 PolarHBondContact O-N 2.76Å; G339-Y341 VanDerWaalsContact C-N 3.33Å; G339-Y341 PolarHBondContact O-N 3.16Å; Y341-R346 HydrophobicContact CD1-CB 4.37Å; Y341-R346 HydrophobicContact CE1-CB 4.08Å; Y341-R346 HydrophobicContact CE1-CG 4.32Å; Y341-R346 HydrophobicContact CE2-CB 4.49Å; Y341-R346 VanDerWaalsContact O-CB 3.25Å; Y341-R346 WeakPolarHBondContact O-CB 3.33Å; Y341-R346 PolarHBondContact O-N 2.61Å; Y341-F350 HydrophobicContact CE2-CZ 4.49Å
342E89.3Confident85.8Confident116 Ų11683.7 Ų83.754%0.54240%0.401SS..Hα-helixtrans-66.9-33.4177.4-73.5174.9176.300113K338 G339K338-E342 WeakPolarHBondContact CE-OE1 3.45Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 2.98Å; G339-E342 PolarHBondContact O-N 3.44Å
343H86.3Confident84.9Confident151 Ų15180.5 Ų80.570%0.69938%0.378SS*.Hα-helixtrans-91.8-38.2-178-71.5-62.7000114.5G339 W340G339-H343 PolarHBondContact O-CD2 3.44Å; G339-H343 PolarHBondContact O-N 2.76Å; G339-H343 VanDerWaalsContact O-N 3.07Å; W340-H343 PolarHBondContact O-N 3.04Å
344E82.3Confident83.1Confident124 Ų12486.8 Ų86.858%0.57940%0.399SS*.THydrogen-bonded Turntrans-130.9-55.3-170-63.4177-179.400111.6W340 R346 F347 S348W340-E344 PolarHBondContact O-N 2.78Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.39Å; E344-R346 VanDerWaalsContact O-N 3.16Å; E344-F347 PolarHBondContact O-N 2.68Å; E344-S348 PolarHBondContact O-OG 3.44Å
345G77Confident80.8Confident0 Ų090 Ų900%042%0.421CS..G310 helixtrans-59.8-33.7-166.800000114.6W340 F347 S348 F350W340-G345 PolarHBondContact O-N 3.49Å; G345-F347 PolarHBondContact O-N 2.76Å; G345-F347 VanDerWaalsContact O-N 3.08Å; G345-S348 WeakPolarHBondContact O-CB 3.21Å; G345-S348 PolarHBondContact O-N 3.16Å; G345-S348 VanDerWaalsContact O-N 3.07Å; G345-F350 WeakPolarHBondContact O-CZ 3.4Å
346R78.3Confident77.9Confident144 Ų14494.2 Ų94.254%0.54344%0.439SS..G310 helixtrans-57.8-27-178.6-176.2174.8-177.1175.31.4114Y341 E344Y341-R346 HydrophobicContact CD1-CB 4.37Å; Y341-R346 HydrophobicContact CE1-CB 4.08Å; Y341-R346 HydrophobicContact CE1-CG 4.32Å; Y341-R346 HydrophobicContact CE2-CB 4.49Å; Y341-R346 VanDerWaalsContact O-CB 3.25Å; Y341-R346 WeakPolarHBondContact O-CB 3.33Å; Y341-R346 PolarHBondContact O-N 2.61Å; E344-R346 VanDerWaalsContact C-N 3.31Å; E344-R346 PolarHBondContact O-N 3.39Å; E344-R346 VanDerWaalsContact O-N 3.16Å
347F75.7Confident74.9Confident164 Ų16491.4 Ų91.472%0.71943%0.434SS*.G310 helixtrans-105.3-1.8-178.6-51.5-72.2000113.2E344 G345E344-F347 PolarHBondContact O-N 2.68Å; G345-F347 PolarHBondContact O-N 2.76Å; G345-F347 VanDerWaalsContact O-N 3.08Å
348S74.7Confident71.9Confident39 Ų3998.3 Ų98.327%0.27348%0.477SS..  trans-75.2149.8179.9-67.10000111.7E344 G345E344-S348 PolarHBondContact O-OG 3.44Å; G345-S348 WeakPolarHBondContact O-CB 3.21Å; G345-S348 PolarHBondContact O-N 3.16Å; G345-S348 VanDerWaalsContact O-N 3.07Å
349N74.5Confident68.8Low157 Ų15795.9 Ų95.984%0.8448%0.483SS*.  trans-85.2135.3163.9-68.8-58.9000108.8
350F81.1Confident65.8Low29 Ų2998.6 Ų98.613%0.12750%0.499CS..  trans-106.3132.8-178.9-59.8-70.3000111.4H249 V274 N278 L280 W340 Y341 G345 T352H249-F350 AromaticContact CD2-CD2 3.92Å; H249-F350 AromaticContact CD2-CE2 3.98Å; H249-F350 AromaticContact CE1-CE2 3.72Å; H249-F350 AromaticContact CG-CE2 3.94Å; H249-F350 AromaticContact ND1-CE2 3.78Å; H249-F350 AromaticContact NE2-CD2 3.92Å; H249-F350 AromaticContact NE2-CE2 3.85Å; V274-F350 HydrophobicContact CB-CD1 3.96Å; V274-F350 HydrophobicContact CB-CD2 4.48Å; V274-F350 HydrophobicContact CB-CE1 3.72Å; V274-F350 HydrophobicContact CB-CE2 4.24Å; V274-F350 HydrophobicContact CB-CG 4.33Å; V274-F350 HydrophobicContact CB-CZ 3.83Å; V274-F350 HydrophobicContact CG1-CB 4.34Å; V274-F350 HydrophobicContact CG1-CD1 3.76Å; V274-F350 HydrophobicContact CG1-CD2 3.66Å; V274-F350 HydrophobicContact CG1-CE1 3.92Å; V274-F350 HydrophobicContact CG1-CE2 3.78Å; V274-F350 HydrophobicContact CG1-CG 3.63Å; V274-F350 HydrophobicContact CG1-CZ 3.89Å; V274-F350 HydrophobicContact CG2-CE1 4.11Å; V274-F350 HydrophobicContact CG2-CE2 4.22Å; V274-F350 HydrophobicContact CG2-CZ 3.76Å; N278-F350 HydrophobicContact CB-CD1 4.45Å; N278-F350 CarbonylContact O-C 3.52Å; N278-F350 VanDerWaalsContact O-CA 3.3Å; N278-F350 WeakPolarHBondContact O-CA 3.25Å; L280-F350 HydrophobicContact CB-CB 3.78Å; W340-F350 AromaticContact CH2-CE1 3.86Å; W340-F350 HydrophobicContact CH2-CE1 3.86Å; W340-F350 HydrophobicContact CH2-CZ 4.26Å; W340-F350 HydrophobicContact CZ2-CE1 4.43Å; Y341-F350 HydrophobicContact CE2-CZ 4.49Å; G345-F350 WeakPolarHBondContact O-CZ 3.4Å; F350-T352 PolarHBondContact O-N 2.93Å
351E78.6Confident62.9Low145 Ų14599.1 Ų99.168%0.67851%0.509SS*.EExtended strand (participates in β ladder)trans-72.8126.1169.6-66.1-171.617200109N278 C279 L280N278-E351 PolarHBondContact O-N 3.06Å; C279-E351 CarbonylContact C-O 3.54Å; C279-E351 WeakPolarHBondContact CA-O 3.39Å; L280-E351 PolarHBondContact N-O 2.95Å
352T75.9Confident60Low63 Ų6399.8 Ų99.839%0.38752%0.518SS..EExtended strand (participates in β ladder)trans-87151.5170.352.90000109.1L280 F350 R354L280-T352 HydrophobicContact CB-CG2 4.16Å; L280-T352 HydrophobicContact CD2-CG2 4.08Å; F350-T352 PolarHBondContact O-N 2.93Å; T352-R354 PolarHBondContact O-N 2.83Å; T352-R354 WeakPolarHBondContact OG1-CG 3.41Å
353F71Confident57.3Low25 Ų2595.4 Ų95.411%0.1150%0.504CS..  trans-61.288.4164.9-69.5-82.2000108.6I230 L233 D234 C279 V281 R314 S355I230-F353 HydrophobicContact CG2-CE2 3.89Å; I230-F353 HydrophobicContact CG2-CZ 4.43Å; I230-F353 WeakPolarHBondContact O-CZ 3.45Å; L233-F353 HydrophobicContact CB-CE1 4.48Å; L233-F353 HydrophobicContact CB-CZ 4.04Å; L233-F353 HydrophobicContact CD1-CE2 4.34Å; D234-F353 HydrophobicContact CB-CE1 4.44Å; D234-F353 VanDerWaalsContact OD2-CD1 3.25Å; D234-F353 WeakPolarHBondContact OD2-CD1 3.4Å; D234-F353 WeakPolarHBondContact OD2-CE1 3.37Å; C279-F353 HydrophobicContact CB-CE2 4.37Å; V281-F353 HydrophobicContact CB-CD2 4.28Å; V281-F353 HydrophobicContact CB-CE2 4.09Å; V281-F353 HydrophobicContact CG2-CD2 4.36Å; V281-F353 HydrophobicContact CG2-CE2 4.38Å; R314-F353 HydrophobicContact CB-CB 4.12Å; R314-F353 HydrophobicContact CB-CD1 3.85Å; R314-F353 HydrophobicContact CB-CD2 3.87Å; R314-F353 HydrophobicContact CB-CE1 4.31Å; R314-F353 HydrophobicContact CB-CE2 4.32Å; R314-F353 HydrophobicContact CB-CG 3.64Å; R314-F353 HydrophobicContact CG-CB 4.46Å; R314-F353 HydrophobicContact CG-CD1 3.62Å; R314-F353 HydrophobicContact CG-CE1 4.02Å; R314-F353 HydrophobicContact CG-CG 3.94Å; F353-S355 PolarHBondContact O-N 2.79Å
354R54.5Low54.9Low200 Ų20089.2 Ų89.276%0.75548%0.479SS*.  trans-81.8116.6176.5-70-178.2-177.9160.60.9106T352 E356T352-R354 PolarHBondContact O-N 2.83Å; T352-R354 WeakPolarHBondContact OG1-CG 3.41Å; R354-E356 PolarHBondContact O-N 3.02Å
355S45.1Very low52.7Low69 Ų6986 Ų8648%0.48347%0.466SS..  trans-57108.1159-172.20000106.1F353 M357F353-S355 PolarHBondContact O-N 2.79Å; S355-M357 PolarHBondContact O-N 3.46Å
356E31.4Very low50.7Low183 Ų18388.2 Ų88.286%0.85549%0.489SS*.SBendtrans-60.882.3164.6-77.8-175.3153.400107.4R354R354-E356 PolarHBondContact O-N 3.02Å
357M33Very low48.4Very low116 Ų11687.8 Ų87.857%0.57150%0.502SS*.SBendtrans-176.6111.6156.3-102.3173-124.100108.9S355 G359S355-M357 PolarHBondContact O-N 3.46Å; M357-G359 PolarHBondContact O-N 3.41Å
358V28.9Very low46.3Very low155 Ų15584.9 Ų84.994%0.93950%0.502SS*.SBendtrans-26.9113.2155.2179.60000111.7
359G28.4Very low44.3Very low60 Ų6085.7 Ų85.762%0.61951%0.508SS*.SBendtrans81.5109.515900000116.8M357M357-G359 PolarHBondContact O-N 3.41Å
360S31.2Very low42.5Very low81 Ų8182.2 Ų82.257%0.56650%0.496SS*.  trans71.3104.2154.3-69.60000118.2Y396S360-Y396 WeakPolarHBondContact CB-OH 3.4Å; S360-Y396 WeakPolarHBondContact O-CE1 3.44Å; S360-Y396 PolarHBondContact O-OH 3.03Å
361S32.3Very low40.8Very low51 Ų5183.7 Ų83.736%0.35751%0.51SS..  58.3131.8128.551.70000121Y396 R509S361-Y396 WeakPolarHBondContact O-CD1 3.26Å; S361-Y396 WeakPolarHBondContact O-CD2 3.18Å; S361-Y396 WeakPolarHBondContact O-CE1 3.43Å; S361-Y396 WeakPolarHBondContact O-CE2 3.32Å; S361-Y396 WeakPolarHBondContact OG-CD2 3.36Å; S361-Y396 WeakPolarHBondContact OG-CE2 3.26Å; S361-R509 PolarHBondContact O-NH2 3.46Å
362G30.2Very low39.3Very low23 Ų2377.3 Ų77.324%0.23748%0.483CS..  trans8792.6147.700000117.3Y396 R509G362-Y396 WeakPolarHBondContact O-CB 3.44Å; G362-R509 PolarHBondContact O-NE 2.79Å; G362-R509 PolarHBondContact O-NH2 3.42Å
363G32.8Very low38.4Very low24 Ų2477.5 Ų77.525%0.24748%0.484CS..  87128.285.900000118.1
364A35.7Very low37.7Very low22 Ų2276.9 Ų76.918%0.18248%0.482CS..  trans-170.9110.1145.900000110.3D310 G376D310-A364 VanDerWaalsContact OD2-C 3.3Å; D310-A364 PolarHBondContact OD2-N 2.99Å; D310-A364 VanDerWaalsContact OD2-O 3.06Å; A364-G376 VanDerWaalsContact CA-CA 3.44Å
365D36.7Very low38.1Very low55 Ų5569.1 Ų69.129%0.29446%0.464SS..SBendcis-170.7141.945.9-88.4-48000110.7G376 W377 R541D365-G376 WeakPolarHBondContact OD1-CA 3.31Å; D365-W377 PolarHBondContact OD1-N 3.22Å; D365-W377 PolarHBondContact OD2-NE1 3.28Å; D365-W377 VanDerWaalsContact OD2-NE1 3.14Å; D365-R541 VanDerWaalsContact CG-NH2 3.31Å; D365-R541 IonicContact OD1-NH2 3.86Å; D365-R541 PolarHBondContact OD1-NH2 3.11Å; D365-R541 IonicContact OD2-CZ 3.64Å; D365-R541 IonicContact OD2-NH1 2.59Å; D365-R541 PolarHBondContact OD2-NH1 3.01Å; D365-R541 IonicContact OD2-NH2 3.82Å; D365-R541 PolarHBondContact OD2-NH2 2.94Å
366G34.4Very low39.5Very low47 Ų4766.1 Ų66.149%0.48544%0.444SS..SBendtrans125.979.2157.700000115.4
367V30.8Very low42Very low135 Ų13560.6 Ų60.682%0.81842%0.415SS*.SBendtrans66.5110157-169.80000115
368S30.2Very low44.6Very low104 Ų10456.9 Ų56.973%0.72740%0.398SS*.  trans75.271.7160.958.10000119.1
369S33.8Very low47.6Very low55 Ų5552.7 Ų52.739%0.38537%0.369SS..  trans-102.8115.8153.662.20000111.4
370S36.4Very low50.7Low85 Ų8550 Ų5059%0.59434%0.341SS*.THydrogen-bonded Turntrans12.7120.9138.858.20000119.1G372S370-G372 PolarHBondContact O-N 2.8Å
371S46.2Very low53.6Low59 Ų5950.6 Ų50.641%0.41334%0.335SS..THydrogen-bonded Turntrans72.5-4.4155.3-153.10000121.1N391S371-N391 VanDerWaalsContact O-CB 3.29Å; S371-N391 WeakPolarHBondContact O-CB 3.3Å; S371-N391 PolarHBondContact O-ND2 3.25Å
372G45.8Very low56.2Low12 Ų1250.5 Ų50.512%0.12433%0.33CS..  trans-117.7150.917000000113.3K260 S370 D395K260-G372 PolarHBondContact NZ-O 2.65Å; S370-G372 PolarHBondContact O-N 2.8Å; G372-D395 WeakPolarHBondContact CA-OD1 3.43Å
373V56.8Low59Low66 Ų6649.6 Ų49.640%0.432%0.32SS..SBendtrans-70.5-32.6170.3177.80000111.3A385 G387 V388 D395V373-A385 HydrophobicContact CG1-CB 4.31Å; V373-G387 WeakPolarHBondContact CG2-O 3.2Å; V373-V388 HydrophobicContact CB-CG2 3.84Å; V373-V388 HydrophobicContact CG1-CG2 3.64Å; V373-D395 PolarHBondContact N-OD1 3.24Å
374L57.9Low61.5Low13 Ų1356 Ų567%0.06834%0.341CS..  trans-110.3145-179.7-59.7175.2000111.9D382 V383 V388 D395 Y396 F397L374-D382 HydrophobicContact CD2-CB 3.77Å; L374-V383 HydrophobicContact CD1-CG2 4.1Å; L374-V388 HydrophobicContact CD1-CG1 3.69Å; L374-V388 HydrophobicContact CD1-CG2 4Å; L374-V388 HydrophobicContact CD2-CG2 4.43Å; L374-V388 HydrophobicContact CG-CG1 4.26Å; L374-V388 HydrophobicContact CG-CG2 3.91Å; L374-D395 HydrophobicContact CB-CB 4.37Å; L374-D395 PolarHBondContact N-OD1 3.01Å; L374-Y396 CarbonylContact C-O 3.54Å; L374-F397 HydrophobicContact CB-CB 4Å; L374-F397 HydrophobicContact CB-CD1 4.22Å; L374-F397 HydrophobicContact CB-CG 4.34Å; L374-F397 HydrophobicContact CD1-CD1 3.57Å; L374-F397 HydrophobicContact CD1-CE1 3.87Å; L374-F397 HydrophobicContact CD1-CG 4.05Å
375G63.2Low63.7Low37 Ų3757.2 Ų57.238%0.38135%0.351SS..  trans-164141.617700000110.8N378 Y396G375-N378 PolarHBondContact O-ND2 2.79Å; G375-Y396 WeakPolarHBondContact CA-O 3.47Å
376G74.3Confident65.6Low5 Ų560.3 Ų60.35%0.05238%0.377CS..SBendtrans64.1-150.3-175.800000114.1A364 D365 N378 F397 T398A364-G376 VanDerWaalsContact CA-CA 3.44Å; D365-G376 WeakPolarHBondContact OD1-CA 3.31Å; G376-N378 PolarHBondContact O-ND2 2.87Å; G376-F397 CarbonylContact O-C 3.56Å; G376-F397 VanDerWaalsContact O-CA 3.29Å; G376-F397 WeakPolarHBondContact O-CA 3.46Å; G376-F397 WeakPolarHBondContact O-CB 3.18Å; G376-T398 PolarHBondContact O-N 3.07Å
377W83.6Confident67.8Low68 Ų6859.6 Ų59.626%0.25837%0.369SS..BIsolated β-bridgetrans-83.4131.7-176.1-64.550.7000112.2D365 T398 K400 I507 Y538 R541D365-W377 PolarHBondContact OD1-N 3.22Å; D365-W377 PolarHBondContact OD2-NE1 3.28Å; D365-W377 VanDerWaalsContact OD2-NE1 3.14Å; W377-T398 CarbonylContact C-O 3.59Å; W377-T398 WeakPolarHBondContact CA-O 3.45Å; W377-T398 HydrophobicContact CD2-CG2 3.72Å; W377-T398 HydrophobicContact CE3-CG2 4.12Å; W377-T398 HydrophobicContact CG-CG2 4.16Å; W377-T398 HydrophobicContact CH2-CG2 4.23Å; W377-T398 HydrophobicContact CZ2-CG2 3.83Å; W377-T398 HydrophobicContact CZ3-CG2 4.33Å; W377-K400 HydrophobicContact CZ3-CB 4.38Å; W377-I507 HydrophobicContact CH2-CD1 3.59Å; W377-I507 HydrophobicContact CH2-CG1 4.1Å; W377-I507 HydrophobicContact CH2-CG2 3.73Å; W377-I507 HydrophobicContact CZ2-CG2 4.09Å; W377-I507 HydrophobicContact CZ3-CD1 3.81Å; W377-I507 HydrophobicContact CZ3-CG2 4.34Å; W377-Y538 HydrophobicContact CH2-CD2 4.06Å; W377-Y538 HydrophobicContact CH2-CE2 4.32Å; W377-Y538 AromaticContact CZ3-CD2 3.95Å; W377-Y538 HydrophobicContact CZ3-CD2 3.95Å; W377-Y538 AromaticContact CZ3-CE2 3.73Å; W377-Y538 HydrophobicContact CZ3-CE2 3.73Å; W377-R541 VanDerWaalsContact CD2-NE 3.35Å; W377-R541 VanDerWaalsContact CD2-NH1 3.29Å; W377-R541 VanDerWaalsContact CE2-CZ 3.47Å; W377-R541 VanDerWaalsContact CG-NH1 3.29Å
378N87.2Confident70.1Confident38 Ų3853.6 Ų53.620%0.20333%0.333CS..  trans-140.3165-178.3-65.7-89.5000108.5G375 G376 D382 F397 T398 C399G375-N378 PolarHBondContact O-ND2 2.79Å; G376-N378 PolarHBondContact O-ND2 2.87Å; N378-D382 HydrophobicContact CB-CB 4.09Å; N378-D382 WeakPolarHBondContact CB-OD2 3.37Å; N378-F397 HydrophobicContact CB-CB 4.32Å; N378-F397 HydrophobicContact CB-CD2 3.99Å; N378-F397 HydrophobicContact CB-CG 4.46Å; N378-T398 PolarHBondContact N-O 2.78Å; N378-C399 WeakPolarHBondContact O-CB 3.4Å
379L91.5Very high72.5Confident66 Ų6648.7 Ų48.735%0.34630%0.299SS..  trans-90.8159.8170.7-63.8167000109.3Q381 D382 D457 I458 T459L379-Q381 HydrophobicContact CB-CG 4.17Å; L379-Q381 PolarHBondContact O-N 3.34Å; L379-D382 PolarHBondContact N-OD2 3.34Å; L379-D382 WeakPolarHBondContact O-CB 3.5Å; L379-D382 PolarHBondContact O-N 3.43Å; L379-D457 WeakPolarHBondContact CA-OD2 3.3Å; L379-I458 HydrophobicContact CD2-CD1 4.34Å; L379-I458 HydrophobicContact CD2-CG1 4.16Å; L379-T459 HydrophobicContact CB-CG2 3.59Å; L379-T459 HydrophobicContact CD1-CG2 3.45Å; L379-T459 VanDerWaalsContact CD1-CG2 3.45Å; L379-T459 HydrophobicContact CD2-CG2 4.17Å; L379-T459 HydrophobicContact CG-CG2 3.9Å
380L93.7Very high74.7Confident4 Ų449.4 Ų49.42%0.02131%0.308CS..G310 helixtrans-61.6-30.5-177.4-68.1-179.3000112.8D382 V383 A401 I455 D457 T459 L462 L510L380-D382 PolarHBondContact O-N 2.73Å; L380-V383 WeakPolarHBondContact O-CB 3.38Å; L380-V383 WeakPolarHBondContact O-CG2 3.42Å; L380-V383 PolarHBondContact O-N 3.35Å; L380-A401 HydrophobicContact CD1-CB 4.19Å; L380-I455 HydrophobicContact CD1-CG1 4.11Å; L380-I455 HydrophobicContact CD2-CD1 3.84Å; L380-I455 HydrophobicContact CD2-CG1 4.25Å; L380-D457 HydrophobicContact CD1-CB 4.13Å; L380-D457 HydrophobicContact CG-CB 4.23Å; L380-D457 WeakPolarHBondContact CG-OD2 3.35Å; L380-D457 PolarHBondContact N-OD2 2.85Å; L380-T459 PolarHBondContact N-OG1 3.44Å; L380-L462 HydrophobicContact CD1-CB 4.3Å; L380-L462 HydrophobicContact CD2-CB 4.15Å; L380-L462 HydrophobicContact CD2-CD2 3.95Å; L380-L510 HydrophobicContact CD2-CD1 4.15Å
381Q92Very high76.5Confident94 Ų9448.3 Ų48.344%0.43930%0.296SS..G310 helixtrans-60.5-28.917567.31797.900113.4L379 V383 K384 T459L379-Q381 HydrophobicContact CB-CG 4.17Å; L379-Q381 PolarHBondContact O-N 3.34Å; Q381-V383 PolarHBondContact O-N 3.25Å; Q381-V383 VanDerWaalsContact O-N 3.17Å; Q381-K384 VanDerWaalsContact O-CB 3.32Å; Q381-K384 WeakPolarHBondContact O-CB 3.43Å; Q381-K384 PolarHBondContact O-N 2.8Å; Q381-T459 HydrophobicContact CB-CG2 4.48Å; Q381-T459 HydrophobicContact CG-CG2 3.87Å; Q381-T459 PolarHBondContact N-OG1 2.83Å
382D87.4Confident77.8Confident48 Ų4852.3 Ų52.326%0.25732%0.317SS..G310 helixtrans-67.6-21.3-174.6-57.7-33.8000110.8L374 N378 L379 L380 K384 A385L374-D382 HydrophobicContact CD2-CB 3.77Å; N378-D382 HydrophobicContact CB-CB 4.09Å; N378-D382 WeakPolarHBondContact CB-OD2 3.37Å; L379-D382 PolarHBondContact N-OD2 3.34Å; L379-D382 WeakPolarHBondContact O-CB 3.5Å; L379-D382 PolarHBondContact O-N 3.43Å; L380-D382 PolarHBondContact O-N 2.73Å; D382-K384 PolarHBondContact O-N 3.42Å; D382-A385 WeakPolarHBondContact O-CB 3.49Å; D382-A385 PolarHBondContact O-N 2.78Å; D382-A385 VanDerWaalsContact O-N 3.07Å
383V88.1Confident79.4Confident4 Ų458.3 Ų58.32%0.02434%0.34CS..G310 helixtrans-62.2-24.5171.3-176.20000112.9L374 L380 Q381 A385 V388 F397 L462 L523 V525L374-V383 HydrophobicContact CD1-CG2 4.1Å; L380-V383 WeakPolarHBondContact O-CB 3.38Å; L380-V383 WeakPolarHBondContact O-CG2 3.42Å; L380-V383 PolarHBondContact O-N 3.35Å; Q381-V383 PolarHBondContact O-N 3.25Å; Q381-V383 VanDerWaalsContact O-N 3.17Å; V383-A385 VanDerWaalsContact C-N 3.27Å; V383-V388 HydrophobicContact CG1-CG1 4.43Å; V383-F397 HydrophobicContact CG2-CE1 3.61Å; V383-F397 HydrophobicContact CG2-CE2 3.79Å; V383-F397 HydrophobicContact CG2-CZ 3.11Å; V383-L462 HydrophobicContact CB-CD2 4.45Å; V383-L462 HydrophobicContact CG1-CD1 4.25Å; V383-L462 HydrophobicContact CG1-CD2 4.26Å; V383-L462 HydrophobicContact CG2-CD2 4Å; V383-L523 HydrophobicContact CG1-CD2 3.59Å; V383-V525 HydrophobicContact CG1-CG2 4.08Å
384K85.9Confident80.6Confident159 Ų15955.7 Ų55.769%0.69133%0.325SS*.G310 helixtrans-83.1-3.7177.6-57.8177.1-178.7171.80112.5Q381 D382Q381-K384 VanDerWaalsContact O-CB 3.32Å; Q381-K384 WeakPolarHBondContact O-CB 3.43Å; Q381-K384 PolarHBondContact O-N 2.8Å; D382-K384 PolarHBondContact O-N 3.42Å
385A82.2Confident81.7Confident47 Ų4755.1 Ų55.139%0.38832%0.322SS..SBendtrans-63.1148.1177.300000111.4V373 D382 V383 G387 V388V373-A385 HydrophobicContact CG1-CB 4.31Å; D382-A385 WeakPolarHBondContact O-CB 3.49Å; D382-A385 PolarHBondContact O-N 2.78Å; D382-A385 VanDerWaalsContact O-N 3.07Å; V383-A385 VanDerWaalsContact C-N 3.27Å; A385-G387 PolarHBondContact O-N 3.27Å; A385-V388 HydrophobicContact CB-CG2 3.99Å; A385-V388 VanDerWaalsContact O-CG2 3.29Å; A385-V388 WeakPolarHBondContact O-CG2 2.94Å; A385-V388 PolarHBondContact O-N 3.17Å
386S77.2Confident82.8Confident121 Ų12154.1 Ų54.185%0.84631%0.307SS*.THydrogen-bonded Turntrans-62.9134.3179-171.70000111
387G78.9Confident83.4Confident31 Ų3153.9 Ų53.932%0.3231%0.305SS..THydrogen-bonded Turntrans89.3-5.2177.900000115.7V373 A385 G389 A390V373-G387 WeakPolarHBondContact CG2-O 3.2Å; A385-G387 PolarHBondContact O-N 3.27Å; G387-G389 PolarHBondContact O-N 3.16Å; G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 2.85Å
388V80.4Confident83.7Confident9 Ų951.3 Ų51.36%0.05530%0.297CS..THydrogen-bonded Turntrans-62.2124.5175.9177.70000110.3V373 L374 V383 A385 A390 D395 A512 L523V373-V388 HydrophobicContact CB-CG2 3.84Å; V373-V388 HydrophobicContact CG1-CG2 3.64Å; L374-V388 HydrophobicContact CD1-CG1 3.69Å; L374-V388 HydrophobicContact CD1-CG2 4Å; L374-V388 HydrophobicContact CD2-CG2 4.43Å; L374-V388 HydrophobicContact CG-CG1 4.26Å; L374-V388 HydrophobicContact CG-CG2 3.91Å; V383-V388 HydrophobicContact CG1-CG1 4.43Å; A385-V388 HydrophobicContact CB-CG2 3.99Å; A385-V388 VanDerWaalsContact O-CG2 3.29Å; A385-V388 WeakPolarHBondContact O-CG2 2.94Å; A385-V388 PolarHBondContact O-N 3.17Å; V388-A390 PolarHBondContact O-N 2.84Å; V388-D395 HydrophobicContact CG1-CB 4.34Å; V388-A512 HydrophobicContact CG1-CB 3.86Å; V388-L523 HydrophobicContact CG1-CD2 4.42Å; V388-L523 WeakPolarHBondContact O-CD1 3.4Å
389G79.4Confident84Confident2 Ų249.6 Ų49.62%0.02129%0.287CS..THydrogen-bonded Turntrans74.4-2.7179.900000115G387 D395 A512 V514G387-G389 PolarHBondContact O-N 3.16Å; G389-D395 PolarHBondContact N-OD2 3.4Å; G389-A512 WeakPolarHBondContact CA-O 3.36Å; G389-V514 PolarHBondContact O-N 2.65Å
390A80Confident84.1Confident69 Ų6950 Ų5057%0.5729%0.286SS*.THydrogen-bonded Turntrans-81-16.5-175.700000113.4G387 V388G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 2.85Å; V388-A390 PolarHBondContact O-N 2.84Å
391N75.2Confident84.3Confident63 Ų6349.9 Ų49.934%0.33729%0.286SS..SBendtrans-74.4159.8178.4-65.2-58000111.8S371 K393S371-N391 VanDerWaalsContact O-CB 3.29Å; S371-N391 WeakPolarHBondContact O-CB 3.3Å; S371-N391 PolarHBondContact O-ND2 3.25Å; N391-K393 CarbonylContact C-O 3.51Å; N391-K393 PolarHBondContact O-N 2.88Å
392V73.7Confident84.6Confident143 Ų14347 Ų4787%0.86728%0.275SS*.SBendtrans-55.2-37.6175.2178.60000111.2
393K77.8Confident85.1Confident137 Ų13744.8 Ų44.860%0.59626%0.263SS*.SBendtrans-90.9136.3171.9-66.2-174.6179.1-1790109.4N391N391-K393 CarbonylContact C-O 3.51Å; N391-K393 PolarHBondContact O-N 2.88Å
394A82Confident85.5Confident11 Ų1147.2 Ų47.29%0.09128%0.278CS..PPolyproline II helixtrans-66.1151.8175.200000111.2Y396 R511 K513A394-Y396 HydrophobicContact CB-CD2 4.48Å; A394-Y396 HydrophobicContact CB-CE2 3.87Å; A394-Y396 WeakPolarHBondContact O-CD2 3.4Å; A394-R511 HydrophobicContact CB-CG 3.82Å; A394-K513 HydrophobicContact CB-CB 3.96Å; A394-K513 HydrophobicContact CB-CD 4.32Å; A394-K513 HydrophobicContact CB-CG 4.3Å
395D82.3Confident85.9Confident1 Ų144.4 Ų44.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-83.6138.6173.8-84.7-64.1000110.7G372 V373 L374 V388 G389 R511 A512G372-D395 WeakPolarHBondContact CA-OD1 3.43Å; V373-D395 PolarHBondContact N-OD1 3.24Å; L374-D395 HydrophobicContact CB-CB 4.37Å; L374-D395 PolarHBondContact N-OD1 3.01Å; V388-D395 HydrophobicContact CG1-CB 4.34Å; G389-D395 PolarHBondContact N-OD2 3.4Å; D395-R511 CarbonylContact O-C 3.52Å; D395-R511 WeakPolarHBondContact O-CA 3.49Å; D395-A512 HydrophobicContact CB-CB 4.14Å; D395-A512 PolarHBondContact N-O 3.47Å; D395-A512 PolarHBondContact O-N 3.2Å
396Y86.9Confident86.6Confident17 Ų1742.6 Ų42.67%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-128.9134.9178.4-72.5-105.6000110.1S360 S361 G362 L374 G375 A394 L510 R511 A528S360-Y396 WeakPolarHBondContact CB-OH 3.4Å; S360-Y396 WeakPolarHBondContact O-CE1 3.44Å; S360-Y396 PolarHBondContact O-OH 3.03Å; S361-Y396 WeakPolarHBondContact O-CD1 3.26Å; S361-Y396 WeakPolarHBondContact O-CD2 3.18Å; S361-Y396 WeakPolarHBondContact O-CE1 3.43Å; S361-Y396 WeakPolarHBondContact O-CE2 3.32Å; S361-Y396 WeakPolarHBondContact OG-CD2 3.36Å; S361-Y396 WeakPolarHBondContact OG-CE2 3.26Å; G362-Y396 WeakPolarHBondContact O-CB 3.44Å; L374-Y396 CarbonylContact C-O 3.54Å; G375-Y396 WeakPolarHBondContact CA-O 3.47Å; A394-Y396 HydrophobicContact CB-CD2 4.48Å; A394-Y396 HydrophobicContact CB-CE2 3.87Å; A394-Y396 WeakPolarHBondContact O-CD2 3.4Å; Y396-L510 VanDerWaalsContact CA-O 3.28Å; Y396-L510 WeakPolarHBondContact CA-O 2.83Å; Y396-R511 HydrophobicContact CD1-CB 3.99Å; Y396-R511 HydrophobicContact CD1-CG 4.33Å; Y396-R511 HydrophobicContact CD2-CG 4.46Å; Y396-R511 HydrophobicContact CE1-CB 3.69Å; Y396-R511 HydrophobicContact CE1-CG 3.77Å; Y396-R511 HydrophobicContact CE2-CG 3.86Å; Y396-R511 WeakPolarHBondContact OH-CD 3.49Å; Y396-R511 PolarHBondContact OH-NE 2.83Å; Y396-A528 HydrophobicContact CE1-CB 4.34Å
397F86.1Confident87.4Confident0 Ų040.8 Ų40.80%023%0.226CC..EExtended strand (participates in β ladder)trans-151.2161.4177.768.1-77.9000111.3L374 G376 N378 V383 C399 R509 L510 A512L374-F397 HydrophobicContact CB-CB 4Å; L374-F397 HydrophobicContact CB-CD1 4.22Å; L374-F397 HydrophobicContact CB-CG 4.34Å; L374-F397 HydrophobicContact CD1-CD1 3.57Å; L374-F397 HydrophobicContact CD1-CE1 3.87Å; L374-F397 HydrophobicContact CD1-CG 4.05Å; G376-F397 CarbonylContact O-C 3.56Å; G376-F397 VanDerWaalsContact O-CA 3.29Å; G376-F397 WeakPolarHBondContact O-CA 3.46Å; G376-F397 WeakPolarHBondContact O-CB 3.18Å; N378-F397 HydrophobicContact CB-CB 4.32Å; N378-F397 HydrophobicContact CB-CD2 3.99Å; N378-F397 HydrophobicContact CB-CG 4.46Å; V383-F397 HydrophobicContact CG2-CE1 3.61Å; V383-F397 HydrophobicContact CG2-CE2 3.79Å; V383-F397 HydrophobicContact CG2-CZ 3.11Å; F397-C399 HydrophobicContact CD2-CB 4.5Å; F397-C399 HydrophobicContact CE2-CB 4.35Å; F397-R509 CarbonylContact O-C 3.59Å; F397-R509 WeakPolarHBondContact O-CA 3.4Å; F397-L510 HydrophobicContact CD1-CB 4.07Å; F397-L510 HydrophobicContact CE1-CB 3.52Å; F397-L510 HydrophobicContact CE1-CD1 4.22Å; F397-L510 HydrophobicContact CE1-CG 4.49Å; F397-L510 HydrophobicContact CE2-CB 4.11Å; F397-L510 HydrophobicContact CE2-CD1 3.58Å; F397-L510 HydrophobicContact CE2-CG 4.32Å; F397-L510 HydrophobicContact CZ-CB 3.53Å; F397-L510 HydrophobicContact CZ-CD1 3.33Å; F397-L510 HydrophobicContact CZ-CG 4.01Å; F397-L510 PolarHBondContact N-O 2.74Å; F397-L510 PolarHBondContact O-N 3.32Å; F397-A512 HydrophobicContact CE1-CB 4.44Å
398T89.2Confident88.1Confident14 Ų1443.5 Ų43.59%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-110.6141.7177-60.40000109.7G376 W377 N378 I507 F508G376-T398 PolarHBondContact O-N 3.07Å; W377-T398 CarbonylContact C-O 3.59Å; W377-T398 WeakPolarHBondContact CA-O 3.45Å; W377-T398 HydrophobicContact CD2-CG2 3.72Å; W377-T398 HydrophobicContact CE3-CG2 4.12Å; W377-T398 HydrophobicContact CG-CG2 4.16Å; W377-T398 HydrophobicContact CH2-CG2 4.23Å; W377-T398 HydrophobicContact CZ2-CG2 3.83Å; W377-T398 HydrophobicContact CZ3-CG2 4.33Å; N378-T398 PolarHBondContact N-O 2.78Å; T398-I507 HydrophobicContact CG2-CG2 3.57Å; T398-F508 CarbonylContact C-O 3.55Å; T398-F508 WeakPolarHBondContact CA-O 3.29Å
399C93.2Very high88.5Confident1 Ų150.7 Ų50.71%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-147.7149.6172.365.90000110.9N378 F397 F508 L510N378-C399 WeakPolarHBondContact O-CB 3.4Å; F397-C399 HydrophobicContact CD2-CB 4.5Å; F397-C399 HydrophobicContact CE2-CB 4.35Å; C399-F508 PolarHBondContact N-O 3.08Å; C399-F508 PolarHBondContact O-N 3.43Å; C399-L510 VanDerWaalsContact SG-CD1 3.59Å
400K95.5Very high89.1Confident74 Ų7457 Ų5732%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-83.5122.8161.2-179.9-166.2170.1-171.30107.9W377 W506 I507 V533 Y538W377-K400 HydrophobicContact CZ3-CB 4.38Å; K400-W506 WeakPolarHBondContact CA-O 3.43Å; K400-I507 HydrophobicContact CB-CD1 3.72Å; K400-I507 HydrophobicContact CG-CD1 4Å; K400-V533 HydrophobicContact CG-CG2 4.42Å; K400-Y538 HydrophobicContact CB-CE2 3.84Å; K400-Y538 HydrophobicContact CD-CD1 4.18Å; K400-Y538 HydrophobicContact CD-CE1 3.46Å; K400-Y538 VanDerWaalsContact CD-CE1 3.46Å; K400-Y538 HydrophobicContact CD-CE2 3.94Å; K400-Y538 WeakPolarHBondContact CD-OH 3.35Å; K400-Y538 HydrophobicContact CG-CE2 4.43Å
401A97.2Very high89.8Confident2 Ų253.9 Ų53.92%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-141.6162.5173.900000111.2L380 I455 A456 S505 W506 F508L380-A401 HydrophobicContact CD1-CB 4.19Å; A401-I455 HydrophobicContact CB-CB 3.94Å; A401-I455 HydrophobicContact CB-CD1 4.06Å; A401-I455 HydrophobicContact CB-CG1 4.28Å; A401-A456 CarbonylContact C-O 3.5Å; A401-A456 WeakPolarHBondContact CA-O 3.46Å; A401-S505 WeakPolarHBondContact O-CA 3.21Å; A401-W506 PolarHBondContact N-O 2.87Å; A401-W506 PolarHBondContact O-N 3.09Å; A401-F508 HydrophobicContact CB-CD2 3.86Å; A401-F508 HydrophobicContact CB-CE2 3.93Å; A401-F508 WeakPolarHBondContact O-CE2 3.43Å
402T98.1Very high90.7Very high35 Ų3551.2 Ų51.222%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-107.9134.1176.6-62.10000109.6V404 I455 A456 N504 S505T402-V404 PolarHBondContact O-N 3.01Å; T402-I455 CarbonylContact O-C 3.51Å; T402-I455 VanDerWaalsContact O-CA 3.25Å; T402-I455 WeakPolarHBondContact O-CA 3.27Å; T402-A456 PolarHBondContact N-O 2.97Å; T402-A456 PolarHBondContact O-N 2.62Å; T402-N504 WeakPolarHBondContact CA-O 3.26Å; T402-S505 PolarHBondContact OG1-OG 2.93Å
403V97.5Very high91.7Very high1 Ų146.5 Ų46.51%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-72.4111.2173.8-179.60000108.9M406 A453 I455 L474 F503 N504 F508V403-M406 HydrophobicContact CG1-CE 4.12Å; V403-M406 HydrophobicContact CG1-CG 3.72Å; V403-M406 HydrophobicContact CG1-SD 3.96Å; V403-A453 HydrophobicContact CG1-CB 4.46Å; V403-I455 HydrophobicContact CG2-CG2 4.19Å; V403-L474 HydrophobicContact CG2-CD2 3.93Å; V403-F503 WeakPolarHBondContact O-CA 3.42Å; V403-F503 PolarHBondContact O-N 3.46Å; V403-N504 PolarHBondContact N-O 2.93Å; V403-F508 HydrophobicContact CG2-CZ 3.89Å
404V96.4Very high92.5Very high55 Ų5542.3 Ų42.333%0.33320%0.204SC..EExtended strand (participates in β ladder)trans-94-34.3-177.3-1770000111.7T402 K454 A456 F503T402-V404 PolarHBondContact O-N 3.01Å; V404-K454 PolarHBondContact N-O 3.47Å; V404-A456 HydrophobicContact CG2-CB 3.43Å; V404-A456 VanDerWaalsContact CG2-CB 3.43Å; V404-F503 HydrophobicContact CG1-CE1 4.28Å; V404-F503 HydrophobicContact CG1-CZ 4.43Å
405F95.3Very high93.1Very high99 Ų9941.8 Ų41.843%0.43420%0.2SC..EExtended strand (participates in β ladder)trans-151.7149.2-177.7-179.4-94.8000111.3K407 A453 K454 W463F405-K407 HydrophobicContact CE1-CG 4.04Å; F405-A453 CarbonylContact O-C 3.58Å; F405-A453 WeakPolarHBondContact O-CA 3.46Å; F405-K454 HydrophobicContact CB-CB 4.06Å; F405-K454 PolarHBondContact N-O 3.06Å; F405-K454 PolarHBondContact O-N 2.76Å; F405-W463 AromaticContact CD1-CH2 3.48Å; F405-W463 HydrophobicContact CD1-CH2 3.48Å; F405-W463 VanDerWaalsContact CD1-CH2 3.48Å; F405-W463 HydrophobicContact CD1-CZ2 4.22Å; F405-W463 HydrophobicContact CD1-CZ3 4.19Å; F405-W463 AromaticContact CE1-CH2 3.72Å; F405-W463 HydrophobicContact CE1-CH2 3.72Å
406M96.2Very high93.7Very high9 Ų941.8 Ų41.84%0.04420%0.2CC..EExtended strand (participates in β ladder)trans-135.7134.5176.9-75.6175.5-70.900109.7V403 K408 L451 A453 L475 F498 S501 A502V403-M406 HydrophobicContact CG1-CE 4.12Å; V403-M406 HydrophobicContact CG1-CG 3.72Å; V403-M406 HydrophobicContact CG1-SD 3.96Å; M406-K408 PolarHBondContact O-N 3.3Å; M406-L451 HydrophobicContact CB-CD1 4.15Å; M406-L451 HydrophobicContact CG-CD1 4.32Å; M406-L451 HydrophobicContact CG-CD2 4.4Å; M406-L451 HydrophobicContact SD-CD1 4.48Å; M406-L451 HydrophobicContact SD-CD2 3.97Å; M406-A453 HydrophobicContact CG-CB 3.96Å; M406-L475 HydrophobicContact SD-CD2 3.91Å; M406-F498 HydrophobicContact CB-CD1 3.73Å; M406-F498 HydrophobicContact CB-CE1 3.91Å; M406-F498 HydrophobicContact CE-CD1 4.14Å; M406-F498 WeakPolarHBondContact CE-O 3.27Å; M406-F498 HydrophobicContact SD-CD1 4.33Å; M406-S501 VanDerWaalsContact CE-CB 3.42Å; M406-A502 HydrophobicContact CE-CB 4.37Å
407K94.8Very high94Very high84 Ų8442.7 Ų42.737%0.36521%0.209SC..  trans-74.3124.5174.8-70.1-170.8-179.7-175.10110F405 M452 W463F405-K407 HydrophobicContact CE1-CG 4.04Å; K407-M452 HydrophobicContact CB-CB 4.22Å; K407-M452 HydrophobicContact CD-CB 4Å; K407-M452 HydrophobicContact CD-SD 4.03Å; K407-M452 HydrophobicContact CG-CB 4.19Å; K407-M452 PolarHBondContact N-O 2.99Å; K407-W463 HydrophobicContact CD-CH2 4.29Å; K407-W463 HydrophobicContact CD-CZ3 4.23Å; K407-W463 HydrophobicContact CG-CH2 3.85Å; K407-W463 HydrophobicContact CG-CZ3 3.85Å
408K91.8Very high94.2Very high88 Ų8844.1 Ų44.138%0.38322%0.218SC..  trans-85.2-18.9174.4-60.3174-174.4162.80112.9M406 F411 E495 F498M406-K408 PolarHBondContact O-N 3.3Å; K408-F411 WeakPolarHBondContact O-CD1 3.5Å; K408-E495 WeakPolarHBondContact CE-OE2 3.29Å; K408-E495 IonicContact NZ-OE1 3.51Å; K408-E495 PolarHBondContact NZ-OE1 2.55Å; K408-E495 IonicContact NZ-OE2 2.68Å; K408-E495 PolarHBondContact NZ-OE2 3.35Å; K408-F498 HydrophobicContact CB-CE2 4.46Å; K408-F498 HydrophobicContact CB-CZ 4.43Å; K408-F498 HydrophobicContact CD-CD2 4.44Å; K408-F498 HydrophobicContact CD-CG 4.48Å; K408-F498 HydrophobicContact CG-CD1 3.99Å; K408-F498 HydrophobicContact CG-CD2 3.92Å; K408-F498 HydrophobicContact CG-CE1 4.07Å; K408-F498 HydrophobicContact CG-CE2 4.02Å; K408-F498 HydrophobicContact CG-CG 3.92Å; K408-F498 HydrophobicContact CG-CZ 4.1Å
409E90.3Very high94.2Very high160 Ų16052.6 Ų52.675%0.74826%0.256SS*.SBendtrans-80.3136.3174.4-66.2170.6-165.800110F411E409-F411 PolarHBondContact O-N 3.32Å
410N90.9Very high94Very high134 Ų13455.8 Ų55.872%0.71729%0.289SS*.SBendtrans5419.4173.5-59.9-46.7000115.8M412N410-M412 PolarHBondContact O-N 3.01Å; N410-M412 VanDerWaalsContact O-N 3.1Å
411F95.3Very high93.8Very high3 Ų352.4 Ų52.41%0.01328%0.275CS..SBendtrans-66.1-10.4178.776.6-78000114K408 E409 L449 L450 L451 L482 K486 L494 F498K408-F411 WeakPolarHBondContact O-CD1 3.5Å; E409-F411 PolarHBondContact O-N 3.32Å; F411-L449 HydrophobicContact CD2-CD2 3.8Å; F411-L449 HydrophobicContact CE2-CD2 4Å; F411-L449 WeakPolarHBondContact O-CA 3.28Å; F411-L450 CarbonylContact C-O 3.51Å; F411-L450 WeakPolarHBondContact CA-O 3.24Å; F411-L450 CarbonylContact O-C 3.54Å; F411-L450 VanDerWaalsContact O-C 3.31Å; F411-L450 PolarHBondContact O-N 2.86Å; F411-L451 HydrophobicContact CB-CD1 4.11Å; F411-L482 HydrophobicContact CE2-CB 4.44Å; F411-L482 HydrophobicContact CE2-CD1 4.41Å; F411-K486 HydrophobicContact CE1-CD 4.5Å; F411-L494 HydrophobicContact CE1-CD1 4.46Å; F411-L494 HydrophobicContact CE1-CD2 4.32Å; F411-L494 HydrophobicContact CZ-CD1 3.82Å; F411-L494 HydrophobicContact CZ-CD2 4.42Å; F411-F498 HydrophobicContact CB-CZ 4.41Å; F411-F498 HydrophobicContact CD1-CZ 4.2Å; F411-F498 AromaticContact CD2-CZ 3.97Å; F411-F498 HydrophobicContact CD2-CZ 3.97Å; F411-F498 HydrophobicContact CE1-CE2 4.49Å; F411-F498 HydrophobicContact CE1-CZ 4.44Å; F411-F498 HydrophobicContact CE2-CE2 4.48Å; F411-F498 HydrophobicContact CE2-CZ 4.25Å; F411-F498 AromaticContact CG-CZ 3.93Å; F411-F498 HydrophobicContact CG-CZ 3.93Å; F411-F498 HydrophobicContact CZ-CE2 4.4Å; F411-F498 HydrophobicContact CZ-CZ 4.47Å
412M94.7Very high93.5Very high8 Ų855.9 Ų55.94%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-149.9154.918074-177.9-43.800111.9N410 W447 R448 L449 L482 K486N410-M412 PolarHBondContact O-N 3.01Å; N410-M412 VanDerWaalsContact O-N 3.1Å; M412-W447 HydrophobicContact CE-CB 3.66Å; M412-W447 HydrophobicContact CE-CD2 3.6Å; M412-W447 HydrophobicContact CE-CE3 3.45Å; M412-W447 VanDerWaalsContact CE-CE3 3.45Å; M412-W447 HydrophobicContact CE-CG 3.74Å; M412-W447 HydrophobicContact CE-CZ3 4.24Å; M412-W447 HydrophobicContact CG-CE3 4.08Å; M412-W447 HydrophobicContact CG-CZ3 4.12Å; M412-W447 HydrophobicContact SD-CE3 4.1Å; M412-W447 HydrophobicContact SD-CZ3 4.31Å; M412-R448 CarbonylContact C-O 3.59Å; M412-R448 WeakPolarHBondContact CA-O 3.4Å; M412-R448 WeakPolarHBondContact CB-O 3.41Å; M412-L449 HydrophobicContact CB-CD2 4.01Å; M412-L482 HydrophobicContact CE-CB 4.34Å; M412-K486 HydrophobicContact CG-CD 3.97Å; M412-K486 HydrophobicContact SD-CB 4.24Å; M412-K486 HydrophobicContact SD-CD 3.51Å; M412-K486 VanDerWaalsContact SD-CD 3.51Å
413Y94.5Very high93.2Very high44 Ų4458.1 Ų58.117%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-143.2157.1179.663.7-80.2000111.5A415 N422 K424 R448 L450Y413-A415 HydrophobicContact CD2-CB 4.18Å; Y413-A415 HydrophobicContact CE2-CB 3.75Å; Y413-N422 PolarHBondContact OH-O 3Å; Y413-K424 HydrophobicContact CD2-CB 3.76Å; Y413-K424 HydrophobicContact CD2-CD 4.5Å; Y413-K424 HydrophobicContact CD2-CG 3.95Å; Y413-K424 HydrophobicContact CE2-CB 4.17Å; Y413-R448 HydrophobicContact CD1-CB 4.38Å; Y413-R448 WeakPolarHBondContact CD1-O 3.48Å; Y413-R448 HydrophobicContact CE1-CB 3.77Å; Y413-R448 HydrophobicContact CE2-CB 4.06Å; Y413-R448 PolarHBondContact N-O 3.07Å; Y413-R448 PolarHBondContact O-N 2.92Å; Y413-R448 PolarHBondContact OH-NE 2.76Å; Y413-L450 HydrophobicContact CD1-CB 4.14Å; Y413-L450 HydrophobicContact CE1-CB 4.03Å
414Q94.7Very high93.1Very high49 Ų4964.7 Ų64.723%0.22933%0.329CS..EExtended strand (participates in β ladder)trans-78.6127.7171.1-65.9171.8-50.100109.4K424 V425 Y433 C445 W447Q414-K424 WeakPolarHBondContact O-CA 3.46Å; Q414-V425 HydrophobicContact CB-CG2 3.72Å; Q414-V425 WeakPolarHBondContact O-CG2 3.49Å; Q414-V425 PolarHBondContact O-N 3.47Å; Q414-Y433 PolarHBondContact NE2-OH 3.44Å; Q414-C445 HydrophobicContact CB-CB 4.23Å; Q414-C445 PolarHBondContact NE2-SG 3.38Å; Q414-W447 HydrophobicContact CG-CD2 4.34Å; Q414-W447 HydrophobicContact CG-CE3 3.91Å; Q414-W447 HydrophobicContact CG-CH2 3.67Å; Q414-W447 HydrophobicContact CG-CZ2 4.08Å; Q414-W447 HydrophobicContact CG-CZ3 3.58Å
415A94.8Very high93.1Very high0 Ų062.5 Ų62.50%032%0.315CS..EExtended strand (participates in β ladder)trans-121.5163.2-177.800000111.7Y413 S417 K423 K446 R448Y413-A415 HydrophobicContact CD2-CB 4.18Å; Y413-A415 HydrophobicContact CE2-CB 3.75Å; A415-S417 PolarHBondContact O-N 2.78Å; A415-K423 WeakPolarHBondContact CA-O 3.33Å; A415-K446 HydrophobicContact CB-CG 4.01Å; A415-K446 PolarHBondContact N-O 2.77Å; A415-K446 PolarHBondContact O-N 2.79Å; A415-R448 HydrophobicContact CB-CB 4.28Å; A415-R448 VanDerWaalsContact CB-CD 3.48Å; A415-R448 HydrophobicContact CB-CG 3.72Å
416C94Very high93Very high1 Ų161.6 Ų61.61%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-60.4131.5-179.5-173.40000112.1T418 C421 K423 V425 C435 K446C416-T418 PolarHBondContact O-N 3Å; C416-T418 VanDerWaalsContact SG-CB 3.57Å; C416-T418 PolarHBondContact SG-OG1 3.45Å; C416-T418 VanDerWaalsContact SG-OG1 3.38Å; C416-C421 HydrophobicContact CB-CB 3.97Å; C416-K423 PolarHBondContact N-O 3.21Å; C416-V425 HydrophobicContact CB-CG1 4.09Å; C416-C435 HydrophobicContact CB-CB 3.91Å; C416-C435 VanDerWaalsContact CB-SG 3.55Å; C416-C435 VanDerWaalsContact SG-CB 3.56Å; C416-K446 WeakPolarHBondContact O-CD 3.37Å; C416-K446 WeakPolarHBondContact O-CE 3.32Å; C416-K446 PolarHBondContact O-NZ 3.33Å
417S92.6Very high92.9Very high35 Ų3565 Ų6525%0.24533%0.333CS..  trans-70.9-18.4177.656.30000113.6A415 E419 D444A415-S417 PolarHBondContact O-N 2.78Å; S417-E419 PolarHBondContact O-N 2.97Å; S417-D444 WeakPolarHBondContact CB-OD2 3.25Å; S417-D444 PolarHBondContact OG-OD1 2.93Å; S417-D444 PolarHBondContact OG-OD2 2.94Å; S417-D444 VanDerWaalsContact OG-OD2 3.06Å
418T91Very high92.8Very high31 Ų3164.1 Ų64.119%0.1933%0.332CS..SBendtrans-56.7131.9175.7-58.80000111.6C416 G420 C421 R440 K446C416-T418 PolarHBondContact O-N 3Å; C416-T418 VanDerWaalsContact SG-CB 3.57Å; C416-T418 PolarHBondContact SG-OG1 3.45Å; C416-T418 VanDerWaalsContact SG-OG1 3.38Å; T418-G420 PolarHBondContact O-N 2.99Å; T418-C421 HydrophobicContact CG2-CB 4.41Å; T418-C421 PolarHBondContact O-N 3.16Å; T418-C421 VanDerWaalsContact O-N 3.07Å; T418-R440 PolarHBondContact OG1-NH2 3.33Å; T418-K446 PolarHBondContact O-NZ 2.84Å
419E89.6Confident92.8Very high191 Ų19163.4 Ų63.489%0.89335%0.349SS*.THydrogen-bonded Turntrans-54133.2172.4-165.6178.5177.400111.9S417 C421S417-E419 PolarHBondContact O-N 2.97Å; E419-C421 PolarHBondContact O-N 3.42Å
420G89.1Confident92.9Very high68 Ų6860.7 Ų60.770%0.70134%0.34SS*.THydrogen-bonded Turntrans74.7-4.9-176.300000116T418T418-G420 PolarHBondContact O-N 2.99Å
421C90.3Very high92.9Very high4 Ų456.8 Ų56.83%0.02733%0.331CS..  trans-101.3126.5173.8-168.50000111.9C416 T418 E419 C438 K446C416-C421 HydrophobicContact CB-CB 3.97Å; T418-C421 HydrophobicContact CG2-CB 4.41Å; T418-C421 PolarHBondContact O-N 3.16Å; T418-C421 VanDerWaalsContact O-N 3.07Å; E419-C421 PolarHBondContact O-N 3.42Å; C421-C438 PolarHBondContact SG-SG 2.82Å; C421-K446 WeakPolarHBondContact O-CE 3.36Å; C421-K446 PolarHBondContact O-NZ 3.27Å
422N90.9Very high92.8Very high74 Ų7459.3 Ų59.340%0.39634%0.344SS..  trans-118.611.5178.9-65.3-30.4000112.9Y413 R448Y413-N422 PolarHBondContact OH-O 3Å; N422-R448 PolarHBondContact OD1-NH1 2.93Å
423K92.5Very high92.8Very high82 Ų8260.6 Ų60.636%0.35735%0.349SS..PPolyproline II helixtrans-70.9138.4-178.3-167.4169.5177-1770109.8A415 C416 V425 E436 K437A415-K423 WeakPolarHBondContact CA-O 3.33Å; C416-K423 PolarHBondContact N-O 3.21Å; K423-V425 PolarHBondContact O-N 3.38Å; K423-E436 HydrophobicContact CD-CB 4.36Å; K423-E436 VanDerWaalsContact CE-OE2 3.27Å; K423-E436 WeakPolarHBondContact CE-OE2 3.19Å; K423-E436 VanDerWaalsContact NZ-CB 3.32Å; K423-E436 IonicContact NZ-OE2 3.77Å; K423-E436 PolarHBondContact NZ-OE2 3.46Å; K423-K437 HydrophobicContact CB-CB 4.07Å; K423-K437 HydrophobicContact CD-CB 3.57Å; K423-K437 HydrophobicContact CG-CB 4.42Å
424K95Very high92.8Very high140 Ų14064 Ų6461%0.60936%0.361SS*.BIsolated β-bridgetrans-55.9133.8171.8-176.4175.3179.2-178.20109.7Y413 Q414Y413-K424 HydrophobicContact CD2-CB 3.76Å; Y413-K424 HydrophobicContact CD2-CD 4.5Å; Y413-K424 HydrophobicContact CD2-CG 3.95Å; Y413-K424 HydrophobicContact CE2-CB 4.17Å; Q414-K424 WeakPolarHBondContact O-CA 3.46Å
425V95.9Very high92.8Very high8 Ų861.6 Ų61.65%0.04835%0.35CS..PPolyproline II helixtrans-90.9157.2175.8-68.90000111Q414 C416 K423 Y433 R434 C435 C445Q414-V425 HydrophobicContact CB-CG2 3.72Å; Q414-V425 WeakPolarHBondContact O-CG2 3.49Å; Q414-V425 PolarHBondContact O-N 3.47Å; C416-V425 HydrophobicContact CB-CG1 4.09Å; K423-V425 PolarHBondContact O-N 3.38Å; V425-Y433 HydrophobicContact CB-CD1 4.44Å; V425-Y433 HydrophobicContact CG2-CD1 3.72Å; V425-Y433 HydrophobicContact CG2-CG 4.08Å; V425-R434 WeakPolarHBondContact CA-O 3.47Å; V425-C435 HydrophobicContact CG1-CB 4.06Å; V425-C445 HydrophobicContact CG2-CB 4.01Å
426I94.8Very high92.7Very high80 Ų8067.1 Ų67.141%0.4138%0.376SS..EExtended strand (participates in β ladder)trans-101.2124171.8-57.5169.6000106.8L428 Y433 R434 E436I426-L428 PolarHBondContact O-N 3.04Å; I426-Y433 WeakPolarHBondContact O-CA 3.38Å; I426-R434 PolarHBondContact N-O 2.82Å; I426-R434 PolarHBondContact O-N 2.83Å; I426-E436 HydrophobicContact CD1-CG 4.12Å
427D93.4Very high92.6Very high82 Ų8274 Ų7444%0.43941%0.406SS..EExtended strand (participates in β ladder)trans-72.3121.1169.9-165.2-32.3000108.7G429 Y433D427-G429 VanDerWaalsContact C-N 3.29Å; D427-G429 PolarHBondContact OD1-N 2.78Å; D427-Y433 HydrophobicContact CB-CD1 4.07Å; D427-Y433 HydrophobicContact CB-CE1 3.72Å; D427-Y433 WeakPolarHBondContact OD2-CE1 3.33Å; D427-Y433 PolarHBondContact OD2-OH 2.85Å
428L93.3Very high92.6Very high65 Ų6574 Ų7434%0.3441%0.405SS..  trans-83.7-4.9-179.6-63.4179.8000112.8I426 N430 L432 R434 E441I426-L428 PolarHBondContact O-N 3.04Å; L428-N430 WeakPolarHBondContact CB-OD1 3.21Å; L428-N430 PolarHBondContact O-N 2.93Å; L428-L432 WeakPolarHBondContact CB-O 3.4Å; L428-L432 HydrophobicContact CD1-CB 4.32Å; L428-L432 PolarHBondContact N-O 2.74Å; L428-R434 HydrophobicContact CD1-CB 4.08Å; L428-R434 HydrophobicContact CD2-CB 3.94Å; L428-R434 HydrophobicContact CG-CB 4.01Å; L428-E441 HydrophobicContact CD1-CG 3.96Å
429G90.9Very high92.6Very high73 Ų7376.4 Ų76.475%0.75343%0.429SS*.SBendtrans72.33.1-179.600000114.6D427D427-G429 VanDerWaalsContact C-N 3.29Å; D427-G429 PolarHBondContact OD1-N 2.78Å
430N93.1Very high92.7Very high103 Ų10373.2 Ų73.255%0.55141%0.408SS*.SBendtrans-108.514.6176.766.2-3.4000112.6L428 L432L428-N430 WeakPolarHBondContact CB-OD1 3.21Å; L428-N430 PolarHBondContact O-N 2.93Å; N430-L432 WeakPolarHBondContact OD1-CB 3.12Å; N430-L432 PolarHBondContact OD1-N 2.99Å
431G89.9Confident92.9Very high51 Ų5174.2 Ų74.253%0.52640%0.395SS..SBendtrans84.23.8-174.300000114.7
432L93.7Very high92.9Very high56 Ų5675 Ų7529%0.29340%0.399SS..  trans-113.2147.3175.5-57.3175.7000111.9L428 N430 E441 P443L428-L432 WeakPolarHBondContact CB-O 3.4Å; L428-L432 HydrophobicContact CD1-CB 4.32Å; L428-L432 PolarHBondContact N-O 2.74Å; N430-L432 WeakPolarHBondContact OD1-CB 3.12Å; N430-L432 PolarHBondContact OD1-N 2.99Å; L432-E441 HydrophobicContact CB-CB 4.49Å; L432-E441 HydrophobicContact CD1-CB 4.45Å; L432-P443 HydrophobicContact CD2-CB 4.12Å
433Y94Very high93Very high36 Ų3676 Ų7614%0.14141%0.41CS..EExtended strand (participates in β ladder)trans-108.8125.6175.6-68.1-75.8000110.5Q414 V425 I426 D427 E441 T442 C445Q414-Y433 PolarHBondContact NE2-OH 3.44Å; V425-Y433 HydrophobicContact CB-CD1 4.44Å; V425-Y433 HydrophobicContact CG2-CD1 3.72Å; V425-Y433 HydrophobicContact CG2-CG 4.08Å; I426-Y433 WeakPolarHBondContact O-CA 3.38Å; D427-Y433 HydrophobicContact CB-CD1 4.07Å; D427-Y433 HydrophobicContact CB-CE1 3.72Å; D427-Y433 WeakPolarHBondContact OD2-CE1 3.33Å; D427-Y433 PolarHBondContact OD2-OH 2.85Å; Y433-E441 CarbonylContact O-C 3.53Å; Y433-E441 VanDerWaalsContact O-CA 3.29Å; Y433-E441 WeakPolarHBondContact O-CA 3.36Å; Y433-T442 PolarHBondContact N-O 3.41Å; Y433-T442 PolarHBondContact O-N 2.85Å; Y433-C445 HydrophobicContact CD1-CB 4.38Å; Y433-C445 HydrophobicContact CD2-CB 3.89Å; Y433-C445 HydrophobicContact CE2-CB 4.25Å; Y433-C445 HydrophobicContact CG-CB 3.98Å
434R95Very high92.9Very high114 Ų11476.1 Ų76.143%0.4342%0.415SS..EExtended strand (participates in β ladder)trans-95.7123.1177.8-171.2173.2175.5123.6-8.2111.5V425 I426 L428 R440 E441V425-R434 WeakPolarHBondContact CA-O 3.47Å; I426-R434 PolarHBondContact N-O 2.82Å; I426-R434 PolarHBondContact O-N 2.83Å; L428-R434 HydrophobicContact CD1-CB 4.08Å; L428-R434 HydrophobicContact CD2-CB 3.94Å; L428-R434 HydrophobicContact CG-CB 4.01Å; R434-R440 WeakPolarHBondContact CA-O 3.35Å; R434-E441 HydrophobicContact CB-CG 4.14Å; R434-E441 HydrophobicContact CG-CG 4.08Å; R434-E441 IonicContact CZ-OE1 3.01Å; R434-E441 IonicContact NH1-OE1 2.85Å; R434-E441 PolarHBondContact NH1-OE1 3.37Å
435C94.6Very high92.8Very high0 Ų071 Ų710%040%0.396CS..EExtended strand (participates in β ladder)trans-97.6113.7168.4-176.80000110.8C416 V425 K437 C438 A439 R440C416-C435 HydrophobicContact CB-CB 3.91Å; C416-C435 VanDerWaalsContact CB-SG 3.55Å; C416-C435 VanDerWaalsContact SG-CB 3.56Å; V425-C435 HydrophobicContact CG1-CB 4.06Å; C435-K437 VanDerWaalsContact C-N 3.31Å; C435-K437 PolarHBondContact O-N 2.77Å; C435-C438 HydrophobicContact CB-CB 4.18Å; C435-C438 PolarHBondContact O-N 2.87Å; C435-A439 VanDerWaalsContact O-CA 3.32Å; C435-A439 WeakPolarHBondContact O-CA 3.04Å; C435-A439 PolarHBondContact O-N 3.46Å; C435-R440 PolarHBondContact N-O 3.25Å; C435-R440 PolarHBondContact O-N 3Å
436E93.6Very high92.6Very high116 Ų11673.3 Ų73.354%0.54241%0.405SS..THydrogen-bonded Turntrans-65.3-29.8176.9-67.5-176.9156.600114.1K423 I426K423-E436 HydrophobicContact CD-CB 4.36Å; K423-E436 VanDerWaalsContact CE-OE2 3.27Å; K423-E436 WeakPolarHBondContact CE-OE2 3.19Å; K423-E436 VanDerWaalsContact NZ-CB 3.32Å; K423-E436 IonicContact NZ-OE2 3.77Å; K423-E436 PolarHBondContact NZ-OE2 3.46Å; I426-E436 HydrophobicContact CD1-CG 4.12Å
437K91.7Very high92.6Very high145 Ų14571.9 Ų71.963%0.6340%0.395SS*.THydrogen-bonded Turntrans-74.9-37.8-179.8-178.6178179.9-170.90111.7K423 C435K423-K437 HydrophobicContact CB-CB 4.07Å; K423-K437 HydrophobicContact CD-CB 3.57Å; K423-K437 HydrophobicContact CG-CB 4.42Å; C435-K437 VanDerWaalsContact C-N 3.31Å; C435-K437 PolarHBondContact O-N 2.77Å
438C91.7Very high92.7Very high35 Ų3570.2 Ų70.224%0.23638%0.382CS..THydrogen-bonded Turntrans-92.9-9-179.9-62.80000112.9C421 C435 R440C421-C438 PolarHBondContact SG-SG 2.82Å; C435-C438 HydrophobicContact CB-CB 4.18Å; C435-C438 PolarHBondContact O-N 2.87Å; C438-R440 HydrophobicContact CB-CB 4.39Å; C438-R440 PolarHBondContact O-N 2.9Å
439A92.5Very high92.8Very high82 Ų8267.1 Ų67.168%0.67837%0.366SS*.THydrogen-bonded Turntrans4941.1-17200000112.8C435C435-A439 VanDerWaalsContact O-CA 3.32Å; C435-A439 WeakPolarHBondContact O-CA 3.04Å; C435-A439 PolarHBondContact O-N 3.46Å
440R89.9Confident93.1Very high123 Ų12366.4 Ų66.446%0.46435%0.345SS..EExtended strand (participates in β ladder)trans-125.5149.7-178.2-76.8-170.7-70.2-152.5-5.5111.6T418 R434 C435 C438T418-R440 PolarHBondContact OG1-NH2 3.33Å; R434-R440 WeakPolarHBondContact CA-O 3.35Å; C435-R440 PolarHBondContact N-O 3.25Å; C435-R440 PolarHBondContact O-N 3Å; C438-R440 HydrophobicContact CB-CB 4.39Å; C438-R440 PolarHBondContact O-N 2.9Å
441E93.9Very high93.3Very high90 Ų9061.5 Ų61.542%0.42132%0.319SS..EExtended strand (participates in β ladder)trans-112.3121173.2-65.2177.2-173.400107.8L428 L432 Y433 R434L428-E441 HydrophobicContact CD1-CG 3.96Å; L432-E441 HydrophobicContact CB-CB 4.49Å; L432-E441 HydrophobicContact CD1-CB 4.45Å; Y433-E441 CarbonylContact O-C 3.53Å; Y433-E441 VanDerWaalsContact O-CA 3.29Å; Y433-E441 WeakPolarHBondContact O-CA 3.36Å; R434-E441 HydrophobicContact CB-CG 4.14Å; R434-E441 HydrophobicContact CG-CG 4.08Å; R434-E441 IonicContact CZ-OE1 3.01Å; R434-E441 IonicContact NH1-OE1 2.85Å; R434-E441 PolarHBondContact NH1-OE1 3.37Å
442T91.2Very high93.6Very high20 Ų2062 Ų6212%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-126.9143.3-175.756.10000110Y433 D444Y433-T442 PolarHBondContact N-O 3.41Å; Y433-T442 PolarHBondContact O-N 2.85Å; T442-D444 WeakPolarHBondContact CB-OD1 3.1Å; T442-D444 PolarHBondContact O-N 3.15Å; T442-D444 PolarHBondContact OG1-O 3.39Å
443P93Very high93.7Very high96 Ų9659.4 Ų59.462%0.62329%0.294SS*.SBendtrans-70.9-21.317630.7-35000112.1L432L432-P443 HydrophobicContact CD2-CB 4.12Å
444D90.8Very high93.9Very high84 Ų8460.2 Ų60.245%0.44930%0.299SS..  trans-106.4149-178.164.3-48000112.1S417 T442S417-D444 WeakPolarHBondContact CB-OD2 3.25Å; S417-D444 PolarHBondContact OG-OD1 2.93Å; S417-D444 PolarHBondContact OG-OD2 2.94Å; S417-D444 VanDerWaalsContact OG-OD2 3.06Å; T442-D444 WeakPolarHBondContact CB-OD1 3.1Å; T442-D444 PolarHBondContact O-N 3.15Å; T442-D444 PolarHBondContact OG1-O 3.39Å
445C91.6Very high94Very high33 Ų3354.8 Ų54.822%0.22328%0.278CS..EExtended strand (participates in β ladder)trans-137.2158.2169.668.30000109.6Q414 V425 Y433Q414-C445 HydrophobicContact CB-CB 4.23Å; Q414-C445 PolarHBondContact NE2-SG 3.38Å; V425-C445 HydrophobicContact CG2-CB 4.01Å; Y433-C445 HydrophobicContact CD1-CB 4.38Å; Y433-C445 HydrophobicContact CD2-CB 3.89Å; Y433-C445 HydrophobicContact CE2-CB 4.25Å; Y433-C445 HydrophobicContact CG-CB 3.98Å
446K92.8Very high94.2Very high55 Ų5555.9 Ų55.924%0.23929%0.287CS..EExtended strand (participates in β ladder)trans-108.6140.5175.470.6-170.2-177.5-154.30110.7A415 C416 T418 C421 R448A415-K446 HydrophobicContact CB-CG 4.01Å; A415-K446 PolarHBondContact N-O 2.77Å; A415-K446 PolarHBondContact O-N 2.79Å; C416-K446 WeakPolarHBondContact O-CD 3.37Å; C416-K446 WeakPolarHBondContact O-CE 3.32Å; C416-K446 PolarHBondContact O-NZ 3.33Å; T418-K446 PolarHBondContact O-NZ 2.84Å; C421-K446 WeakPolarHBondContact O-CE 3.36Å; C421-K446 PolarHBondContact O-NZ 3.27Å; K446-R448 HydrophobicContact CG-CG 4.45Å
447W94.6Very high94.3Very high51 Ų5151.9 Ų51.919%0.19327%0.269CS..EExtended strand (participates in β ladder)trans-75.9135.1173.4-72.7108.2000110.7M412 Q414 A479M412-W447 HydrophobicContact CE-CB 3.66Å; M412-W447 HydrophobicContact CE-CD2 3.6Å; M412-W447 HydrophobicContact CE-CE3 3.45Å; M412-W447 VanDerWaalsContact CE-CE3 3.45Å; M412-W447 HydrophobicContact CE-CG 3.74Å; M412-W447 HydrophobicContact CE-CZ3 4.24Å; M412-W447 HydrophobicContact CG-CE3 4.08Å; M412-W447 HydrophobicContact CG-CZ3 4.12Å; M412-W447 HydrophobicContact SD-CE3 4.1Å; M412-W447 HydrophobicContact SD-CZ3 4.31Å; Q414-W447 HydrophobicContact CG-CD2 4.34Å; Q414-W447 HydrophobicContact CG-CE3 3.91Å; Q414-W447 HydrophobicContact CG-CH2 3.67Å; Q414-W447 HydrophobicContact CG-CZ2 4.08Å; Q414-W447 HydrophobicContact CG-CZ3 3.58Å; W447-A479 HydrophobicContact CB-CB 4.34Å; W447-A479 WeakPolarHBondContact CB-O 3.44Å; W447-A479 WeakPolarHBondContact O-CB 3.46Å
448R95Very high94.4Very high46 Ų4652.5 Ų52.517%0.17428%0.278CS..EExtended strand (participates in β ladder)trans-129.2143.3171.8-69.6-171.368.577.5-0.9111.3M412 Y413 A415 N422 K446 Q468M412-R448 CarbonylContact C-O 3.59Å; M412-R448 WeakPolarHBondContact CA-O 3.4Å; M412-R448 WeakPolarHBondContact CB-O 3.41Å; Y413-R448 HydrophobicContact CD1-CB 4.38Å; Y413-R448 WeakPolarHBondContact CD1-O 3.48Å; Y413-R448 HydrophobicContact CE1-CB 3.77Å; Y413-R448 HydrophobicContact CE2-CB 4.06Å; Y413-R448 PolarHBondContact N-O 3.07Å; Y413-R448 PolarHBondContact O-N 2.92Å; Y413-R448 PolarHBondContact OH-NE 2.76Å; A415-R448 HydrophobicContact CB-CB 4.28Å; A415-R448 VanDerWaalsContact CB-CD 3.48Å; A415-R448 HydrophobicContact CB-CG 3.72Å; N422-R448 PolarHBondContact OD1-NH1 2.93Å; K446-R448 HydrophobicContact CG-CG 4.45Å; R448-Q468 VanDerWaalsContact CA-OE1 3.24Å
449L96.3Very high94.5Very high1 Ų152.5 Ų52.51%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-87.6141.5177.6-62.6167.4000111.5F411 M412 Q468 A471 E472 L475 A479 L482F411-L449 HydrophobicContact CD2-CD2 3.8Å; F411-L449 HydrophobicContact CE2-CD2 4Å; F411-L449 WeakPolarHBondContact O-CA 3.28Å; M412-L449 HydrophobicContact CB-CD2 4.01Å; L449-Q468 PolarHBondContact O-N 2.66Å; L449-A471 HydrophobicContact CB-CB 3.65Å; L449-A471 HydrophobicContact CD1-CB 3.74Å; L449-A471 HydrophobicContact CG-CB 4.29Å; L449-E472 HydrophobicContact CD1-CB 4.47Å; L449-E472 HydrophobicContact CD1-CG 3.55Å; L449-L475 HydrophobicContact CD1-CD1 4.34Å; L449-L475 HydrophobicContact CD2-CD1 4.3Å; L449-A479 HydrophobicContact CD1-CB 4.17Å; L449-A479 HydrophobicContact CG-CB 3.85Å; L449-L482 HydrophobicContact CD1-CD1 4.2Å; L449-L482 HydrophobicContact CD2-CD1 3.83Å
450L95.7Very high94.4Very high58 Ų5849.9 Ų49.930%0.30426%0.258SS..EExtended strand (participates in β ladder)trans-14275169.1-17962.3000107.1F411 Y413 T465 F467F411-L450 CarbonylContact C-O 3.51Å; F411-L450 WeakPolarHBondContact CA-O 3.24Å; F411-L450 CarbonylContact O-C 3.54Å; F411-L450 VanDerWaalsContact O-C 3.31Å; F411-L450 PolarHBondContact O-N 2.86Å; Y413-L450 HydrophobicContact CD1-CB 4.14Å; Y413-L450 HydrophobicContact CE1-CB 4.03Å; L450-T465 HydrophobicContact CD1-CG2 3.63Å; L450-F467 HydrophobicContact CD1-CD1 3.85Å; L450-F467 HydrophobicContact CD1-CE1 3.6Å; L450-F467 HydrophobicContact CD1-CZ 4.35Å
451L96.9Very high94.7Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-84.6130.1-173.6177.868.3000110M406 F411 C466 A471 L475 F498M406-L451 HydrophobicContact CB-CD1 4.15Å; M406-L451 HydrophobicContact CG-CD1 4.32Å; M406-L451 HydrophobicContact CG-CD2 4.4Å; M406-L451 HydrophobicContact SD-CD1 4.48Å; M406-L451 HydrophobicContact SD-CD2 3.97Å; F411-L451 HydrophobicContact CB-CD1 4.11Å; L451-C466 HydrophobicContact CB-CB 4.17Å; L451-C466 PolarHBondContact N-O 2.61Å; L451-C466 PolarHBondContact O-N 3.18Å; L451-A471 HydrophobicContact CB-CB 3.84Å; L451-A471 HydrophobicContact CD2-CB 4.25Å; L451-L475 HydrophobicContact CD2-CD1 4.19Å; L451-L475 HydrophobicContact CD2-CD2 4.31Å; L451-L475 HydrophobicContact CD2-CG 4.07Å; L451-F498 HydrophobicContact CD1-CE1 3.94Å
452M96.7Very high94.8Very high62 Ų6244.7 Ų44.731%0.30524%0.242SC..EExtended strand (participates in β ladder)trans-99.3116.2166.8-62-166.28300109K407 W463K407-M452 HydrophobicContact CB-CB 4.22Å; K407-M452 HydrophobicContact CD-CB 4Å; K407-M452 HydrophobicContact CD-SD 4.03Å; K407-M452 HydrophobicContact CG-CB 4.19Å; K407-M452 PolarHBondContact N-O 2.99Å; M452-W463 HydrophobicContact CB-CE3 4.43Å; M452-W463 HydrophobicContact CB-CZ3 4.27Å
453A97.2Very high95Very high0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-117.1148.6179.900000110.7V403 F405 M406 W463 V464V403-A453 HydrophobicContact CG1-CB 4.46Å; F405-A453 CarbonylContact O-C 3.58Å; F405-A453 WeakPolarHBondContact O-CA 3.46Å; M406-A453 HydrophobicContact CG-CB 3.96Å; A453-W463 WeakPolarHBondContact O-CA 3.14Å; A453-V464 HydrophobicContact CB-CG2 4.12Å; A453-V464 PolarHBondContact N-O 3.44Å; A453-V464 WeakPolarHBondContact O-CG2 3.38Å; A453-V464 PolarHBondContact O-N 3.06Å
454K97.5Very high95.2Very high54 Ų5444 Ų4424%0.23523%0.225CC..EExtended strand (participates in β ladder)trans-106.5116.1170.4-170.5177179178.90107.5V404 F405 D461 L462 W463V404-K454 PolarHBondContact N-O 3.47Å; F405-K454 HydrophobicContact CB-CB 4.06Å; F405-K454 PolarHBondContact N-O 3.06Å; F405-K454 PolarHBondContact O-N 2.76Å; K454-D461 VanDerWaalsContact CE-CB 3.41Å; K454-D461 VanDerWaalsContact CE-OD1 3.24Å; K454-D461 WeakPolarHBondContact CE-OD1 3.47Å; K454-D461 WeakPolarHBondContact CE-OD2 3.33Å; K454-D461 HydrophobicContact CG-CB 4.4Å; K454-D461 IonicContact NZ-OD1 3.08Å; K454-D461 PolarHBondContact NZ-OD1 3.43Å; K454-D461 IonicContact NZ-OD2 2.93Å; K454-D461 PolarHBondContact NZ-OD2 3.35Å; K454-L462 WeakPolarHBondContact CA-O 3.36Å; K454-W463 HydrophobicContact CB-CD2 4.09Å; K454-W463 HydrophobicContact CB-CE3 4.08Å; K454-W463 HydrophobicContact CB-CH2 4.3Å; K454-W463 HydrophobicContact CB-CZ2 4.28Å; K454-W463 HydrophobicContact CB-CZ3 4.17Å; K454-W463 HydrophobicContact CD-CZ2 4.29Å; K454-W463 HydrophobicContact CG-CD2 4.41Å
455I97.9Very high95.5Very high0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-105.7150178.561.6173.2000109.8L380 A401 T402 V403 D461 L462 V464 F508 L510L380-I455 HydrophobicContact CD1-CG1 4.11Å; L380-I455 HydrophobicContact CD2-CD1 3.84Å; L380-I455 HydrophobicContact CD2-CG1 4.25Å; A401-I455 HydrophobicContact CB-CB 3.94Å; A401-I455 HydrophobicContact CB-CD1 4.06Å; A401-I455 HydrophobicContact CB-CG1 4.28Å; T402-I455 CarbonylContact O-C 3.51Å; T402-I455 VanDerWaalsContact O-CA 3.25Å; T402-I455 WeakPolarHBondContact O-CA 3.27Å; V403-I455 HydrophobicContact CG2-CG2 4.19Å; I455-D461 CarbonylContact O-C 3.51Å; I455-D461 WeakPolarHBondContact O-CA 3.35Å; I455-L462 HydrophobicContact CG1-CB 4.25Å; I455-L462 WeakPolarHBondContact CG1-O 3.46Å; I455-L462 PolarHBondContact N-O 3.18Å; I455-L462 PolarHBondContact O-N 2.9Å; I455-V464 HydrophobicContact CD1-CG1 3.66Å; I455-V464 HydrophobicContact CD1-CG2 4.33Å; I455-V464 HydrophobicContact CG1-CG1 3.98Å; I455-V464 HydrophobicContact CG1-CG2 4.36Å; I455-V464 HydrophobicContact CG2-CG2 4Å; I455-F508 HydrophobicContact CB-CE2 4.48Å; I455-F508 HydrophobicContact CD1-CD2 4.28Å; I455-F508 HydrophobicContact CD1-CG 4.38Å; I455-F508 HydrophobicContact CG2-CE1 4.19Å; I455-F508 HydrophobicContact CG2-CE2 3.95Å; I455-F508 HydrophobicContact CG2-CZ 3.68Å; I455-L510 HydrophobicContact CD1-CD1 3.88Å; I455-L510 HydrophobicContact CD1-CD2 4.42Å
456A97.9Very high95.7Very high22 Ų2239 Ų3918%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-138.5149.4178.500000112.6A401 T402 V404 G460 D461A401-A456 CarbonylContact C-O 3.5Å; A401-A456 WeakPolarHBondContact CA-O 3.46Å; T402-A456 PolarHBondContact N-O 2.97Å; T402-A456 PolarHBondContact O-N 2.62Å; V404-A456 HydrophobicContact CG2-CB 3.43Å; V404-A456 VanDerWaalsContact CG2-CB 3.43Å; A456-G460 CarbonylContact C-O 3.51Å; A456-G460 WeakPolarHBondContact CA-O 3.48Å; A456-G460 WeakPolarHBondContact CB-O 3.43Å; A456-D461 HydrophobicContact CB-CB 4.03Å
457D95.8Very high95.8Very high32 Ų3240.7 Ų40.717%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-132.2-167.8170.4743.1000109.8L379 L380 T459 G460L379-D457 WeakPolarHBondContact CA-OD2 3.3Å; L380-D457 HydrophobicContact CD1-CB 4.13Å; L380-D457 HydrophobicContact CG-CB 4.23Å; L380-D457 WeakPolarHBondContact CG-OD2 3.35Å; L380-D457 PolarHBondContact N-OD2 2.85Å; D457-T459 PolarHBondContact O-N 2.83Å; D457-T459 VanDerWaalsContact O-N 3.16Å; D457-T459 WeakPolarHBondContact OD1-CA 3.45Å; D457-T459 WeakPolarHBondContact OD1-CB 3.4Å; D457-T459 PolarHBondContact OD1-N 2.8Å; D457-T459 PolarHBondContact OD1-OG1 2.85Å; D457-T459 PolarHBondContact OD2-OG1 2.89Å; D457-G460 PolarHBondContact N-O 3.29Å; D457-G460 PolarHBondContact O-N 2.94Å; D457-G460 PolarHBondContact OD1-N 3.21Å
458I93.3Very high95.7Very high158 Ų15839.2 Ų39.281%0.8120%0.199SC*.THydrogen-bonded Turntrans-64.1-15.7-179.759.2171.6000114L379L379-I458 HydrophobicContact CD2-CD1 4.34Å; L379-I458 HydrophobicContact CD2-CG1 4.16Å
459T93.3Very high95.7Very high35 Ų3543 Ų4322%0.21522%0.223CC..THydrogen-bonded Turntrans-103.8-11.3-174.8690000114L379 L380 Q381 D457L379-T459 HydrophobicContact CB-CG2 3.59Å; L379-T459 HydrophobicContact CD1-CG2 3.45Å; L379-T459 VanDerWaalsContact CD1-CG2 3.45Å; L379-T459 HydrophobicContact CD2-CG2 4.17Å; L379-T459 HydrophobicContact CG-CG2 3.9Å; L380-T459 PolarHBondContact N-OG1 3.44Å; Q381-T459 HydrophobicContact CB-CG2 4.48Å; Q381-T459 HydrophobicContact CG-CG2 3.87Å; Q381-T459 PolarHBondContact N-OG1 2.83Å; D457-T459 PolarHBondContact O-N 2.83Å; D457-T459 VanDerWaalsContact O-N 3.16Å; D457-T459 WeakPolarHBondContact OD1-CA 3.45Å; D457-T459 WeakPolarHBondContact OD1-CB 3.4Å; D457-T459 PolarHBondContact OD1-N 2.8Å; D457-T459 PolarHBondContact OD1-OG1 2.85Å; D457-T459 PolarHBondContact OD2-OG1 2.89Å
460G92.2Very high95.6Very high27 Ų2743.4 Ų43.428%0.27823%0.227SC..EExtended strand (participates in β ladder)trans147.2-152.1176.100000112.4A456 D457A456-G460 CarbonylContact C-O 3.51Å; A456-G460 WeakPolarHBondContact CA-O 3.48Å; A456-G460 WeakPolarHBondContact CB-O 3.43Å; D457-G460 PolarHBondContact N-O 3.29Å; D457-G460 PolarHBondContact O-N 2.94Å; D457-G460 PolarHBondContact OD1-N 3.21Å
461D95.6Very high95.6Very high75 Ų7540.6 Ų40.640%0.40121%0.212SC..EExtended strand (participates in β ladder)trans-132.6158.5-175.567.7-128.2000112.8K454 I455 A456K454-D461 VanDerWaalsContact CE-CB 3.41Å; K454-D461 VanDerWaalsContact CE-OD1 3.24Å; K454-D461 WeakPolarHBondContact CE-OD1 3.47Å; K454-D461 WeakPolarHBondContact CE-OD2 3.33Å; K454-D461 HydrophobicContact CG-CB 4.4Å; K454-D461 IonicContact NZ-OD1 3.08Å; K454-D461 PolarHBondContact NZ-OD1 3.43Å; K454-D461 IonicContact NZ-OD2 2.93Å; K454-D461 PolarHBondContact NZ-OD2 3.35Å; I455-D461 CarbonylContact O-C 3.51Å; I455-D461 WeakPolarHBondContact O-CA 3.35Å; A456-D461 HydrophobicContact CB-CB 4.03Å
462L95.3Very high95.6Very high29 Ų2943.1 Ų43.115%0.15222%0.224CC..EExtended strand (participates in β ladder)trans-147.9136.9-177.5-175.863.8000111.1L380 V383 K454 I455 V464 L510 V525L380-L462 HydrophobicContact CD1-CB 4.3Å; L380-L462 HydrophobicContact CD2-CB 4.15Å; L380-L462 HydrophobicContact CD2-CD2 3.95Å; V383-L462 HydrophobicContact CB-CD2 4.45Å; V383-L462 HydrophobicContact CG1-CD1 4.25Å; V383-L462 HydrophobicContact CG1-CD2 4.26Å; V383-L462 HydrophobicContact CG2-CD2 4Å; K454-L462 WeakPolarHBondContact CA-O 3.36Å; I455-L462 HydrophobicContact CG1-CB 4.25Å; I455-L462 WeakPolarHBondContact CG1-O 3.46Å; I455-L462 PolarHBondContact N-O 3.18Å; I455-L462 PolarHBondContact O-N 2.9Å; L462-V464 HydrophobicContact CD2-CG1 4.21Å; L462-V464 HydrophobicContact CG-CG1 4.2Å; L462-L510 HydrophobicContact CD2-CD1 4.32Å; L462-V525 HydrophobicContact CD1-CG2 4.27Å; L462-V525 HydrophobicContact CD2-CB 4.33Å; L462-V525 HydrophobicContact CD2-CG1 4.03Å; L462-V525 HydrophobicContact CD2-CG2 4.17Å
463W96.2Very high95.6Very high100 Ų10043.3 Ų43.338%0.37923%0.228SC..EExtended strand (participates in β ladder)trans-82.8129.2168.7-78.999.2000110.7F405 K407 M452 A453 K454F405-W463 AromaticContact CD1-CH2 3.48Å; F405-W463 HydrophobicContact CD1-CH2 3.48Å; F405-W463 VanDerWaalsContact CD1-CH2 3.48Å; F405-W463 HydrophobicContact CD1-CZ2 4.22Å; F405-W463 HydrophobicContact CD1-CZ3 4.19Å; F405-W463 AromaticContact CE1-CH2 3.72Å; F405-W463 HydrophobicContact CE1-CH2 3.72Å; K407-W463 HydrophobicContact CD-CH2 4.29Å; K407-W463 HydrophobicContact CD-CZ3 4.23Å; K407-W463 HydrophobicContact CG-CH2 3.85Å; K407-W463 HydrophobicContact CG-CZ3 3.85Å; M452-W463 HydrophobicContact CB-CE3 4.43Å; M452-W463 HydrophobicContact CB-CZ3 4.27Å; A453-W463 WeakPolarHBondContact O-CA 3.14Å; K454-W463 HydrophobicContact CB-CD2 4.09Å; K454-W463 HydrophobicContact CB-CE3 4.08Å; K454-W463 HydrophobicContact CB-CH2 4.3Å; K454-W463 HydrophobicContact CB-CZ2 4.28Å; K454-W463 HydrophobicContact CB-CZ3 4.17Å; K454-W463 HydrophobicContact CD-CZ2 4.29Å; K454-W463 HydrophobicContact CG-CD2 4.41Å
464V97Very high95.5Very high1 Ų143.5 Ų43.51%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-126.9148.7179.6-60.50000111.2A453 I455 L462 L510 V525 V527A453-V464 HydrophobicContact CB-CG2 4.12Å; A453-V464 PolarHBondContact N-O 3.44Å; A453-V464 WeakPolarHBondContact O-CG2 3.38Å; A453-V464 PolarHBondContact O-N 3.06Å; I455-V464 HydrophobicContact CD1-CG1 3.66Å; I455-V464 HydrophobicContact CD1-CG2 4.33Å; I455-V464 HydrophobicContact CG1-CG1 3.98Å; I455-V464 HydrophobicContact CG1-CG2 4.36Å; I455-V464 HydrophobicContact CG2-CG2 4Å; L462-V464 HydrophobicContact CD2-CG1 4.21Å; L462-V464 HydrophobicContact CG-CG1 4.2Å; V464-L510 HydrophobicContact CG1-CD2 3.95Å; V464-V525 WeakPolarHBondContact CA-O 3.42Å; V464-V525 HydrophobicContact CG1-CB 4.33Å; V464-V525 HydrophobicContact CG1-CG1 3.96Å; V464-V527 HydrophobicContact CB-CG2 3.88Å; V464-V527 HydrophobicContact CG2-CG2 3.73Å
465T96.4Very high95.4Very high13 Ų1341.1 Ų41.18%0.0822%0.219CC..EExtended strand (participates in β ladder)trans-98.6125171.7-52.20000109.6L450 F467 V525 V526 V527L450-T465 HydrophobicContact CD1-CG2 3.63Å; T465-F467 HydrophobicContact CG2-CE2 4.37Å; T465-F467 HydrophobicContact CG2-CZ 4.33Å; T465-V525 PolarHBondContact N-O 3.37Å; T465-V526 WeakPolarHBondContact O-CA 3.19Å; T465-V527 PolarHBondContact O-N 3.02Å
466C96.4Very high95.3Very high0 Ų043.8 Ų43.80%025%0.246CC..EExtended strand (participates in β ladder)trans-110.3118175.5-47.80000108.8L451 A470 A471 L474 V527L451-C466 HydrophobicContact CB-CB 4.17Å; L451-C466 PolarHBondContact N-O 2.61Å; L451-C466 PolarHBondContact O-N 3.18Å; C466-A470 HydrophobicContact CB-CB 4.23Å; C466-A471 HydrophobicContact CB-CB 4.13Å; C466-L474 HydrophobicContact CB-CD1 4.34Å; C466-L474 VanDerWaalsContact SG-CD1 3.57Å; C466-V527 WeakPolarHBondContact SG-CG2 3.37Å
467F94.3Very high95.1Very high91 Ų9145.2 Ų45.240%0.39925%0.249SC..EExtended strand (participates in β ladder)trans-81.6173.6170.4-68.5-74.9000110.6L450 T465 D469 A470 A471 V526L450-F467 HydrophobicContact CD1-CD1 3.85Å; L450-F467 HydrophobicContact CD1-CE1 3.6Å; L450-F467 HydrophobicContact CD1-CZ 4.35Å; T465-F467 HydrophobicContact CG2-CE2 4.37Å; T465-F467 HydrophobicContact CG2-CZ 4.33Å; F467-D469 PolarHBondContact O-N 3.13Å; F467-D469 VanDerWaalsContact O-N 3.17Å; F467-A470 PolarHBondContact O-N 3.15Å; F467-A471 WeakPolarHBondContact O-CB 3.5Å; F467-A471 PolarHBondContact O-N 3.05Å; F467-V526 HydrophobicContact CD2-CG1 3.74Å; F467-V526 HydrophobicContact CE2-CG1 3.57Å; F467-V526 HydrophobicContact CE2-CG2 4.37Å
468Q93.6Very high95.1Very high19 Ų1947 Ų479%0.08926%0.261CS..Hα-helixtrans-20.8-74.8-179.9-17072.115.300114.9R448 L449 A470 A471 E472R448-Q468 VanDerWaalsContact CA-OE1 3.24Å; L449-Q468 PolarHBondContact O-N 2.66Å; Q468-A470 PolarHBondContact O-N 2.84Å; Q468-A471 PolarHBondContact O-N 3.29Å; Q468-E472 PolarHBondContact NE2-OE1 3.42Å; Q468-E472 WeakPolarHBondContact O-CG 3.36Å; Q468-E472 PolarHBondContact O-N 3.27Å
469D93.4Very high95.2Very high125 Ų12539.5 Ų39.567%0.66822%0.223SC*.Hα-helixtrans-61.7-47.1-168.1-46.8-16.2000111.6F467 A471 E472 V473F467-D469 PolarHBondContact O-N 3.13Å; F467-D469 VanDerWaalsContact O-N 3.17Å; D469-A471 VanDerWaalsContact C-N 3.34Å; D469-A471 PolarHBondContact O-N 2.73Å; D469-E472 PolarHBondContact O-N 3.12Å; D469-V473 WeakPolarHBondContact O-CG2 3.45Å; D469-V473 PolarHBondContact O-N 2.89Å
470A94.9Very high95.3Very high10 Ų1044.5 Ų44.58%0.08324%0.244CC..Hα-helixtrans-66.5-35.2176.400000112.6C466 F467 Q468 L474 V527 V530C466-A470 HydrophobicContact CB-CB 4.23Å; F467-A470 PolarHBondContact O-N 3.15Å; Q468-A470 PolarHBondContact O-N 2.84Å; A470-L474 WeakPolarHBondContact O-CB 3.49Å; A470-L474 VanDerWaalsContact O-CG 3.27Å; A470-L474 WeakPolarHBondContact O-CG 3.28Å; A470-L474 PolarHBondContact O-N 3.45Å; A470-L474 VanDerWaalsContact O-N 3.09Å; A470-V527 HydrophobicContact CB-CB 4.22Å; A470-V527 HydrophobicContact CB-CG1 3.82Å; A470-V530 HydrophobicContact CB-CG1 3.91Å
471A96.6Very high95.4Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-71.3-38.6179.400000112.2L449 L451 C466 F467 Q468 D469 L474 L475L449-A471 HydrophobicContact CB-CB 3.65Å; L449-A471 HydrophobicContact CD1-CB 3.74Å; L449-A471 HydrophobicContact CG-CB 4.29Å; L451-A471 HydrophobicContact CB-CB 3.84Å; L451-A471 HydrophobicContact CD2-CB 4.25Å; C466-A471 HydrophobicContact CB-CB 4.13Å; F467-A471 WeakPolarHBondContact O-CB 3.5Å; F467-A471 PolarHBondContact O-N 3.05Å; Q468-A471 PolarHBondContact O-N 3.29Å; D469-A471 VanDerWaalsContact C-N 3.34Å; D469-A471 PolarHBondContact O-N 2.73Å; A471-L474 PolarHBondContact O-N 3.22Å; A471-L475 WeakPolarHBondContact O-CB 3.49Å; A471-L475 WeakPolarHBondContact O-CG 3.23Å; A471-L475 PolarHBondContact O-N 2.86Å
472E96.4Very high95.3Very high53 Ų5344.4 Ų44.425%0.24823%0.232CC..Hα-helixtrans-64.8-41.2174.9-68.7-171.1156.200111.4L449 Q468 D469 L475 G476 Q477 T478 A479L449-E472 HydrophobicContact CD1-CB 4.47Å; L449-E472 HydrophobicContact CD1-CG 3.55Å; Q468-E472 PolarHBondContact NE2-OE1 3.42Å; Q468-E472 WeakPolarHBondContact O-CG 3.36Å; Q468-E472 PolarHBondContact O-N 3.27Å; D469-E472 PolarHBondContact O-N 3.12Å; E472-L475 PolarHBondContact O-N 3.33Å; E472-G476 WeakPolarHBondContact O-CA 3.41Å; E472-G476 PolarHBondContact O-N 3.47Å; E472-Q477 PolarHBondContact O-N 2.93Å; E472-T478 WeakPolarHBondContact OE1-CA 3.18Å; E472-A479 PolarHBondContact OE1-N 2.87Å
473V95.6Very high95.2Very high66 Ų6643 Ų4340%0.423%0.225SC..Hα-helixtrans-61.5-46.1175.21740000111.1D469 W506 V530D469-V473 WeakPolarHBondContact O-CG2 3.45Å; D469-V473 PolarHBondContact O-N 2.89Å; V473-W506 HydrophobicContact CG1-CE3 4.31Å; V473-W506 HydrophobicContact CG1-CH2 4Å; V473-W506 HydrophobicContact CG1-CZ3 3.65Å; V473-V530 HydrophobicContact CB-CG1 3.86Å; V473-V530 HydrophobicContact CG1-CG1 3.8Å; V473-V530 HydrophobicContact CG2-CG1 4.49Å
474L96.1Very high95.1Very high3 Ų342.3 Ų42.32%0.01623%0.232CC..Hα-helixtrans-67.6-36.5-179.8-72.4177.9000113.3V403 C466 A470 A471 S501 W506 F508 V530V403-L474 HydrophobicContact CG2-CD2 3.93Å; C466-L474 HydrophobicContact CB-CD1 4.34Å; C466-L474 VanDerWaalsContact SG-CD1 3.57Å; A470-L474 WeakPolarHBondContact O-CB 3.49Å; A470-L474 VanDerWaalsContact O-CG 3.27Å; A470-L474 WeakPolarHBondContact O-CG 3.28Å; A470-L474 PolarHBondContact O-N 3.45Å; A470-L474 VanDerWaalsContact O-N 3.09Å; A471-L474 PolarHBondContact O-N 3.22Å; L474-S501 WeakPolarHBondContact O-CB 3.22Å; L474-S501 PolarHBondContact O-OG 3.1Å; L474-W506 HydrophobicContact CD2-CD2 3.99Å; L474-W506 HydrophobicContact CD2-CG 3.93Å; L474-W506 HydrophobicContact CD2-CZ2 4.43Å; L474-F508 HydrophobicContact CD1-CE1 4.25Å; L474-F508 HydrophobicContact CD2-CE1 4.07Å; L474-F508 HydrophobicContact CD2-CZ 4.1Å; L474-V530 HydrophobicContact CD2-CG2 3.91Å; L474-V530 HydrophobicContact CG-CG2 4.48Å
475L96.1Very high94.9Very high5 Ų542.8 Ų42.83%0.02623%0.234CC..Hα-helixtrans-87.6-13.6-178.8-67171.9000113.5M406 L449 L451 A471 E472 Q477 L482 V497 F498 S501M406-L475 HydrophobicContact SD-CD2 3.91Å; L449-L475 HydrophobicContact CD1-CD1 4.34Å; L449-L475 HydrophobicContact CD2-CD1 4.3Å; L451-L475 HydrophobicContact CD2-CD1 4.19Å; L451-L475 HydrophobicContact CD2-CD2 4.31Å; L451-L475 HydrophobicContact CD2-CG 4.07Å; A471-L475 WeakPolarHBondContact O-CB 3.49Å; A471-L475 WeakPolarHBondContact O-CG 3.23Å; A471-L475 PolarHBondContact O-N 2.86Å; E472-L475 PolarHBondContact O-N 3.33Å; L475-Q477 PolarHBondContact O-N 3.05Å; L475-Q477 VanDerWaalsContact O-N 3.16Å; L475-L482 HydrophobicContact CB-CD1 4.39Å; L475-L482 HydrophobicContact CD1-CD1 3.66Å; L475-V497 HydrophobicContact CB-CG1 4.3Å; L475-V497 HydrophobicContact CD2-CG1 4.27Å; L475-F498 HydrophobicContact CD2-CD1 4.22Å; L475-F498 HydrophobicContact CD2-CE1 4.11Å; L475-S501 WeakPolarHBondContact CA-OG 3.47Å
476G94.7Very high94.6Very high55 Ų5546 Ų4657%0.56725%0.247SC*.THydrogen-bonded Turntrans62.118-175.700000114.4E472E472-G476 WeakPolarHBondContact O-CA 3.41Å; E472-G476 PolarHBondContact O-N 3.47Å
477Q94.4Very high94.2Very high53 Ų5350 Ų5025%0.24828%0.275CS..SBendtrans-141.1146.6-178-57.7-59.7-23.400110.5E472 L475 L482 V497E472-Q477 PolarHBondContact O-N 2.93Å; L475-Q477 PolarHBondContact O-N 3.05Å; L475-Q477 VanDerWaalsContact O-N 3.16Å; Q477-L482 HydrophobicContact CB-CD1 4.17Å; Q477-L482 HydrophobicContact CB-CD2 4.02Å; Q477-L482 HydrophobicContact CB-CG 3.88Å; Q477-L482 HydrophobicContact CG-CD2 4.4Å; Q477-V497 HydrophobicContact CG-CG1 4.13Å; Q477-V497 HydrophobicContact CG-CG2 4.13Å
478T96Very high94.1Very high69 Ų6950 Ų5042%0.42328%0.283SS..  trans-73.1154.2175.764.70000111.7E472 E480 K481 L482E472-T478 WeakPolarHBondContact OE1-CA 3.18Å; T478-E480 PolarHBondContact O-N 2.97Å; T478-K481 PolarHBondContact O-N 3.26Å; T478-K481 PolarHBondContact OG1-N 3.25Å; T478-L482 WeakPolarHBondContact O-CG 3.4Å; T478-L482 PolarHBondContact O-N 2.7Å
479A95.4Very high93.8Very high1 Ų157.3 Ų57.31%0.00832%0.317CS..Hα-helixtrans-60.2-33177.100000113W447 L449 E472 G483W447-A479 HydrophobicContact CB-CB 4.34Å; W447-A479 WeakPolarHBondContact CB-O 3.44Å; W447-A479 WeakPolarHBondContact O-CB 3.46Å; L449-A479 HydrophobicContact CD1-CB 4.17Å; L449-A479 HydrophobicContact CG-CB 3.85Å; E472-A479 PolarHBondContact OE1-N 2.87Å; A479-G483 PolarHBondContact O-N 2.87Å
480E93.9Very high93.7Very high139 Ų13953.6 Ų53.665%0.6530%0.297SS*.Hα-helixtrans-65.4-44.4177.5-67.1-179.9175.600111.9T478 G483 T484T478-E480 PolarHBondContact O-N 2.97Å; E480-G483 PolarHBondContact O-N 2.86Å; E480-T484 PolarHBondContact O-N 3.02Å; E480-T484 PolarHBondContact O-OG1 3.29Å
481K94.5Very high93.5Very high100 Ų10060.7 Ų60.744%0.43533%0.328SS..Hα-helixtrans-67-44.3178-171.6178173.5-173.20111.3T478 G483 T484 I485T478-K481 PolarHBondContact O-N 3.26Å; T478-K481 PolarHBondContact OG1-N 3.25Å; K481-G483 VanDerWaalsContact C-N 3.26Å; K481-G483 PolarHBondContact O-N 2.69Å; K481-T484 WeakPolarHBondContact O-CB 3.46Å; K481-T484 PolarHBondContact O-N 3.17Å; K481-I485 HydrophobicContact CG-CD1 4.4Å; K481-I485 WeakPolarHBondContact O-CG1 3.21Å; K481-I485 PolarHBondContact O-N 3.01Å
482L95.1Very high93.4Very high0 Ų066.1 Ų66.10%036%0.362CS..Hα-helixtrans-62-36.3174.5-68.5171.6000111.9F411 M412 L449 L475 Q477 T478 I485 K486 L494 V497F411-L482 HydrophobicContact CE2-CB 4.44Å; F411-L482 HydrophobicContact CE2-CD1 4.41Å; M412-L482 HydrophobicContact CE-CB 4.34Å; L449-L482 HydrophobicContact CD1-CD1 4.2Å; L449-L482 HydrophobicContact CD2-CD1 3.83Å; L475-L482 HydrophobicContact CB-CD1 4.39Å; L475-L482 HydrophobicContact CD1-CD1 3.66Å; Q477-L482 HydrophobicContact CB-CD1 4.17Å; Q477-L482 HydrophobicContact CB-CD2 4.02Å; Q477-L482 HydrophobicContact CB-CG 3.88Å; Q477-L482 HydrophobicContact CG-CD2 4.4Å; T478-L482 WeakPolarHBondContact O-CG 3.4Å; T478-L482 PolarHBondContact O-N 2.7Å; L482-I485 PolarHBondContact O-N 3.37Å; L482-K486 WeakPolarHBondContact O-CB 3.21Å; L482-K486 PolarHBondContact O-N 2.83Å; L482-L494 HydrophobicContact CD2-CD1 4.32Å; L482-V497 HydrophobicContact CD2-CG1 4.18Å; L482-V497 HydrophobicContact CD2-CG2 4.49Å
483G93.2Very high93.2Very high0 Ų068.2 Ų68.20%037%0.372CS..Hα-helixtrans-64.9-41174.700000112.4A479 E480 K481 K486 S487A479-G483 PolarHBondContact O-N 2.87Å; E480-G483 PolarHBondContact O-N 2.86Å; K481-G483 VanDerWaalsContact C-N 3.26Å; K481-G483 PolarHBondContact O-N 2.69Å; G483-K486 PolarHBondContact O-N 3.36Å; G483-S487 WeakPolarHBondContact O-CB 3.49Å; G483-S487 PolarHBondContact O-N 3.11Å; G483-S487 PolarHBondContact O-OG 3.03Å
484T93.1Very high93Very high85 Ų8566.5 Ų66.552%0.52136%0.36SS..Hα-helixtrans-62.3-49.6174.7-55.40000111E480 K481 K486 S487 T488E480-T484 PolarHBondContact O-N 3.02Å; E480-T484 PolarHBondContact O-OG1 3.29Å; K481-T484 WeakPolarHBondContact O-CB 3.46Å; K481-T484 PolarHBondContact O-N 3.17Å; T484-K486 VanDerWaalsContact C-N 3.26Å; T484-K486 PolarHBondContact O-N 3.14Å; T484-S487 PolarHBondContact O-N 2.9Å; T484-S487 VanDerWaalsContact O-N 3.13Å; T484-T488 HydrophobicContact CG2-CG2 4.47Å; T484-T488 WeakPolarHBondContact O-CG2 3.4Å; T484-T488 PolarHBondContact O-N 3.32Å; T484-T488 PolarHBondContact O-OG1 3.45Å; T484-T488 VanDerWaalsContact O-OG1 3.12Å
485I92.6Very high92.9Very high12 Ų1270 Ų706%0.06238%0.376CS..Hα-helixtrans-56.1-42.6176.9-66.9166.7000110.9K481 L482 T488 Q489 D490 Q493 L494K481-I485 HydrophobicContact CG-CD1 4.4Å; K481-I485 WeakPolarHBondContact O-CG1 3.21Å; K481-I485 PolarHBondContact O-N 3.01Å; L482-I485 PolarHBondContact O-N 3.37Å; I485-T488 PolarHBondContact O-OG1 3.23Å; I485-T488 VanDerWaalsContact O-OG1 3.05Å; I485-Q489 PolarHBondContact O-N 3.2Å; I485-D490 HydrophobicContact CG2-CB 4.27Å; I485-D490 WeakPolarHBondContact CG2-O 3.46Å; I485-D490 PolarHBondContact O-N 2.92Å; I485-D490 VanDerWaalsContact O-N 3.1Å; I485-Q493 HydrophobicContact CG2-CB 4.05Å; I485-L494 HydrophobicContact CG2-CB 4Å; I485-L494 HydrophobicContact CG2-CD1 4.5Å
486K89.8Confident92.8Very high80 Ų8075.4 Ų75.435%0.34840%0.4SS..Hα-helixtrans-67.6-42177.9-172175.5-178.9177.20112.3F411 M412 L482 G483 T484 T488 Q489F411-K486 HydrophobicContact CE1-CD 4.5Å; M412-K486 HydrophobicContact CG-CD 3.97Å; M412-K486 HydrophobicContact SD-CB 4.24Å; M412-K486 HydrophobicContact SD-CD 3.51Å; M412-K486 VanDerWaalsContact SD-CD 3.51Å; L482-K486 WeakPolarHBondContact O-CB 3.21Å; L482-K486 PolarHBondContact O-N 2.83Å; G483-K486 PolarHBondContact O-N 3.36Å; T484-K486 VanDerWaalsContact C-N 3.26Å; T484-K486 PolarHBondContact O-N 3.14Å; K486-T488 VanDerWaalsContact C-N 3.34Å; K486-Q489 PolarHBondContact O-N 2.91Å
487S87.9Confident92.8Very high83 Ų8373.4 Ų73.458%0.5838%0.376SS*.Hα-helixtrans-67.2-33.2177.4-73.40000112.8G483 T484 Q489G483-S487 WeakPolarHBondContact O-CB 3.49Å; G483-S487 PolarHBondContact O-N 3.11Å; G483-S487 PolarHBondContact O-OG 3.03Å; T484-S487 PolarHBondContact O-N 2.9Å; T484-S487 VanDerWaalsContact O-N 3.13Å; S487-Q489 PolarHBondContact O-N 2.78Å
488T92Very high92.9Very high93 Ų9371.2 Ų71.257%0.57137%0.366SS*.THydrogen-bonded Turntrans-80.80.3174.1580000113.4T484 I485 K486 D490T484-T488 HydrophobicContact CG2-CG2 4.47Å; T484-T488 WeakPolarHBondContact O-CG2 3.4Å; T484-T488 PolarHBondContact O-N 3.32Å; T484-T488 PolarHBondContact O-OG1 3.45Å; T484-T488 VanDerWaalsContact O-OG1 3.12Å; I485-T488 PolarHBondContact O-OG1 3.23Å; I485-T488 VanDerWaalsContact O-OG1 3.05Å; K486-T488 VanDerWaalsContact C-N 3.34Å; T488-D490 PolarHBondContact O-N 3.41Å
489Q89.1Confident92.8Very high171 Ų17173 Ų7380%0.79937%0.372SS*.THydrogen-bonded Turntrans54.433-177.1-59.8-177.4-18.400113.6I485 K486 S487 E491I485-Q489 PolarHBondContact O-N 3.2Å; K486-Q489 PolarHBondContact O-N 2.91Å; S487-Q489 PolarHBondContact O-N 2.78Å; Q489-E491 VanDerWaalsContact C-N 3.33Å; Q489-E491 PolarHBondContact O-N 2.93Å
490D91.2Very high92.7Very high48 Ų4878.4 Ų78.426%0.25740%0.397SS..  trans-85.178.7176.9-169.5-19.9000110.2I485 T488 T492 Q493 L494I485-D490 HydrophobicContact CG2-CB 4.27Å; I485-D490 WeakPolarHBondContact CG2-O 3.46Å; I485-D490 PolarHBondContact O-N 2.92Å; I485-D490 VanDerWaalsContact O-N 3.1Å; T488-D490 PolarHBondContact O-N 3.41Å; D490-T492 PolarHBondContact O-N 2.95Å; D490-T492 PolarHBondContact OD1-N 3.09Å; D490-Q493 HydrophobicContact CB-CB 4.39Å; D490-Q493 PolarHBondContact O-N 3.04Å; D490-Q493 PolarHBondContact OD1-N 3.35Å; D490-Q493 WeakPolarHBondContact OD2-CG 3.39Å; D490-Q493 PolarHBondContact OD2-NE2 3.45Å; D490-L494 PolarHBondContact O-N 3.01Å
491E90.4Very high92.8Very high158 Ų15872.2 Ų72.274%0.73837%0.369SS*.Hα-helixtrans-62.4-29.1-179.6-64.5-169.6159.800112.6Q489 L494 E495Q489-E491 VanDerWaalsContact C-N 3.33Å; Q489-E491 PolarHBondContact O-N 2.93Å; E491-L494 PolarHBondContact O-N 2.97Å; E491-E495 VanDerWaalsContact O-CB 3.27Å; E491-E495 WeakPolarHBondContact O-CB 3.45Å; E491-E495 PolarHBondContact O-N 2.94Å
492T93.1Very high92.7Very high114 Ų11468.4 Ų68.470%0.69936%0.356SS*.Hα-helixtrans-70.1-44.5-178.4-58.30000111D490 L494 E495 K496D490-T492 PolarHBondContact O-N 2.95Å; D490-T492 PolarHBondContact OD1-N 3.09Å; T492-L494 VanDerWaalsContact C-N 3.35Å; T492-E495 PolarHBondContact O-N 2.91Å; T492-K496 WeakPolarHBondContact O-CB 3.34Å; T492-K496 PolarHBondContact O-N 3.45Å; T492-K496 VanDerWaalsContact O-N 3.08Å
493Q92.8Very high92.7Very high98 Ų9875.5 Ų75.546%0.45839%0.387SS..Hα-helixtrans-65.4-40174.1-75.4-170.137.600112I485 D490 K496 V497I485-Q493 HydrophobicContact CG2-CB 4.05Å; D490-Q493 HydrophobicContact CB-CB 4.39Å; D490-Q493 PolarHBondContact O-N 3.04Å; D490-Q493 PolarHBondContact OD1-N 3.35Å; D490-Q493 WeakPolarHBondContact OD2-CG 3.39Å; D490-Q493 PolarHBondContact OD2-NE2 3.45Å; Q493-K496 PolarHBondContact O-N 2.94Å; Q493-V497 WeakPolarHBondContact O-CG2 3.49Å; Q493-V497 PolarHBondContact O-N 3.3Å
494L92.7Very high92.9Very high29 Ų2978.7 Ų78.715%0.15240%0.404CS..Hα-helixtrans-61.8-47.9177.3-170.864.7000111F411 L482 I485 D490 E491 T492 K496 V497 F498F411-L494 HydrophobicContact CE1-CD1 4.46Å; F411-L494 HydrophobicContact CE1-CD2 4.32Å; F411-L494 HydrophobicContact CZ-CD1 3.82Å; F411-L494 HydrophobicContact CZ-CD2 4.42Å; L482-L494 HydrophobicContact CD2-CD1 4.32Å; I485-L494 HydrophobicContact CG2-CB 4Å; I485-L494 HydrophobicContact CG2-CD1 4.5Å; D490-L494 PolarHBondContact O-N 3.01Å; E491-L494 PolarHBondContact O-N 2.97Å; T492-L494 VanDerWaalsContact C-N 3.35Å; L494-K496 VanDerWaalsContact C-N 3.3Å; L494-K496 PolarHBondContact O-N 3.05Å; L494-V497 PolarHBondContact O-N 3.38Å; L494-F498 HydrophobicContact CD1-CD2 4.28Å; L494-F498 HydrophobicContact CD1-CE2 3.79Å; L494-F498 HydrophobicContact CG-CD2 4.16Å; L494-F498 HydrophobicContact CG-CE2 3.95Å; L494-F498 VanDerWaalsContact O-CD2 3.31Å; L494-F498 WeakPolarHBondContact O-CD2 3.34Å; L494-F498 PolarHBondContact O-N 2.8Å
495E93.2Very high93Very high76 Ų7676.9 Ų76.936%0.35540%0.395SS..Hα-helixtrans-55.1-46.6176.9-172.962.5-148.700111.6K408 E491 T492 V497 F498 I499K408-E495 WeakPolarHBondContact CE-OE2 3.29Å; K408-E495 IonicContact NZ-OE1 3.51Å; K408-E495 PolarHBondContact NZ-OE1 2.55Å; K408-E495 IonicContact NZ-OE2 2.68Å; K408-E495 PolarHBondContact NZ-OE2 3.35Å; E491-E495 VanDerWaalsContact O-CB 3.27Å; E491-E495 WeakPolarHBondContact O-CB 3.45Å; E491-E495 PolarHBondContact O-N 2.94Å; T492-E495 PolarHBondContact O-N 2.91Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.01Å; E495-F498 PolarHBondContact O-N 3Å; E495-I499 HydrophobicContact CG-CD1 3.8Å; E495-I499 HydrophobicContact CG-CG1 4.45Å; E495-I499 WeakPolarHBondContact O-CG1 3.49Å; E495-I499 PolarHBondContact O-N 3.27Å
496K94.5Very high93.3Very high120 Ų12078.1 Ų78.152%0.52240%0.399SS..Hα-helixtrans-56.3-46.2178.1-177.9179.1174.1-179.20112.1T492 Q493 L494 F498 I499 E500T492-K496 WeakPolarHBondContact O-CB 3.34Å; T492-K496 PolarHBondContact O-N 3.45Å; T492-K496 VanDerWaalsContact O-N 3.08Å; Q493-K496 PolarHBondContact O-N 2.94Å; L494-K496 VanDerWaalsContact C-N 3.3Å; L494-K496 PolarHBondContact O-N 3.05Å; K496-F498 VanDerWaalsContact C-N 3.35Å; K496-F498 PolarHBondContact O-N 3.3Å; K496-I499 PolarHBondContact O-N 3.36Å; K496-E500 WeakPolarHBondContact CE-OE1 3.46Å; K496-E500 HydrophobicContact CG-CG 4.36Å; K496-E500 IonicContact NZ-OE1 2.85Å; K496-E500 WeakPolarHBondContact O-CB 3.39Å; K496-E500 WeakPolarHBondContact O-CG 3.47Å; K496-E500 PolarHBondContact O-N 3.25Å
497V95.1Very high93.5Very high12 Ų1275.5 Ų75.57%0.07339%0.389CS..Hα-helixtrans-58.9-46.3178.4173.80000111.1L475 Q477 L482 Q493 L494 E495 I499 E500 S501L475-V497 HydrophobicContact CB-CG1 4.3Å; L475-V497 HydrophobicContact CD2-CG1 4.27Å; Q477-V497 HydrophobicContact CG-CG1 4.13Å; Q477-V497 HydrophobicContact CG-CG2 4.13Å; L482-V497 HydrophobicContact CD2-CG1 4.18Å; L482-V497 HydrophobicContact CD2-CG2 4.49Å; Q493-V497 WeakPolarHBondContact O-CG2 3.49Å; Q493-V497 PolarHBondContact O-N 3.3Å; L494-V497 PolarHBondContact O-N 3.38Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.01Å; V497-I499 PolarHBondContact O-N 2.86Å; V497-E500 PolarHBondContact O-N 2.59Å; V497-S501 VanDerWaalsContact O-CB 3.26Å; V497-S501 WeakPolarHBondContact O-CB 3.21Å; V497-S501 PolarHBondContact O-N 2.91Å; V497-S501 PolarHBondContact O-OG 3.03Å
498F95Very high93.8Very high8 Ų871.6 Ų71.64%0.03536%0.361CS..Hα-helixtrans-66.6-37.2-179.9-81.2-84000112.8M406 K408 F411 L451 L475 L494 E495 K496 A502M406-F498 HydrophobicContact CB-CD1 3.73Å; M406-F498 HydrophobicContact CB-CE1 3.91Å; M406-F498 HydrophobicContact CE-CD1 4.14Å; M406-F498 WeakPolarHBondContact CE-O 3.27Å; M406-F498 HydrophobicContact SD-CD1 4.33Å; K408-F498 HydrophobicContact CB-CE2 4.46Å; K408-F498 HydrophobicContact CB-CZ 4.43Å; K408-F498 HydrophobicContact CD-CD2 4.44Å; K408-F498 HydrophobicContact CD-CG 4.48Å; K408-F498 HydrophobicContact CG-CD1 3.99Å; K408-F498 HydrophobicContact CG-CD2 3.92Å; K408-F498 HydrophobicContact CG-CE1 4.07Å; K408-F498 HydrophobicContact CG-CE2 4.02Å; K408-F498 HydrophobicContact CG-CG 3.92Å; K408-F498 HydrophobicContact CG-CZ 4.1Å; F411-F498 HydrophobicContact CB-CZ 4.41Å; F411-F498 HydrophobicContact CD1-CZ 4.2Å; F411-F498 AromaticContact CD2-CZ 3.97Å; F411-F498 HydrophobicContact CD2-CZ 3.97Å; F411-F498 HydrophobicContact CE1-CE2 4.49Å; F411-F498 HydrophobicContact CE1-CZ 4.44Å; F411-F498 HydrophobicContact CE2-CE2 4.48Å; F411-F498 HydrophobicContact CE2-CZ 4.25Å; F411-F498 AromaticContact CG-CZ 3.93Å; F411-F498 HydrophobicContact CG-CZ 3.93Å; F411-F498 HydrophobicContact CZ-CE2 4.4Å; F411-F498 HydrophobicContact CZ-CZ 4.47Å; L451-F498 HydrophobicContact CD1-CE1 3.94Å; L475-F498 HydrophobicContact CD2-CD1 4.22Å; L475-F498 HydrophobicContact CD2-CE1 4.11Å; L494-F498 HydrophobicContact CD1-CD2 4.28Å; L494-F498 HydrophobicContact CD1-CE2 3.79Å; L494-F498 HydrophobicContact CG-CD2 4.16Å; L494-F498 HydrophobicContact CG-CE2 3.95Å; L494-F498 VanDerWaalsContact O-CD2 3.31Å; L494-F498 WeakPolarHBondContact O-CD2 3.34Å; L494-F498 PolarHBondContact O-N 2.8Å; E495-F498 PolarHBondContact O-N 3Å; K496-F498 VanDerWaalsContact C-N 3.35Å; K496-F498 PolarHBondContact O-N 3.3Å; F498-A502 PolarHBondContact O-N 2.99Å
499I93.6Very high93.8Very high107 Ų10770.2 Ų70.255%0.54935%0.345SS..Hα-helixtrans-65.7-47.8176.1-69.6172.2000110.7E495 K496 V497 S501 A502E495-I499 HydrophobicContact CG-CD1 3.8Å; E495-I499 HydrophobicContact CG-CG1 4.45Å; E495-I499 WeakPolarHBondContact O-CG1 3.49Å; E495-I499 PolarHBondContact O-N 3.27Å; K496-I499 PolarHBondContact O-N 3.36Å; V497-I499 PolarHBondContact O-N 2.86Å; I499-S501 VanDerWaalsContact C-N 3.25Å; I499-S501 PolarHBondContact O-N 2.61Å; I499-A502 PolarHBondContact O-N 2.78Å
500E94.3Very high94Very high114 Ų11462 Ų6253%0.53331%0.307SS..Hα-helixtrans-66.2-28.4-179.6-72.3176.916900112.8K496 V497 N504K496-E500 WeakPolarHBondContact CE-OE1 3.46Å; K496-E500 HydrophobicContact CG-CG 4.36Å; K496-E500 IonicContact NZ-OE1 2.85Å; K496-E500 WeakPolarHBondContact O-CB 3.39Å; K496-E500 WeakPolarHBondContact O-CG 3.47Å; K496-E500 PolarHBondContact O-N 3.25Å; V497-E500 PolarHBondContact O-N 2.59Å; E500-N504 PolarHBondContact O-ND2 2.91Å
501S95.1Very high94Very high8 Ų863.1 Ų63.16%0.05631%0.308CS..Hα-helixtrans-81.3-22.1179.3-580000113M406 L474 L475 V497 I499 N504M406-S501 VanDerWaalsContact CE-CB 3.42Å; L474-S501 WeakPolarHBondContact O-CB 3.22Å; L474-S501 PolarHBondContact O-OG 3.1Å; L475-S501 WeakPolarHBondContact CA-OG 3.47Å; V497-S501 VanDerWaalsContact O-CB 3.26Å; V497-S501 WeakPolarHBondContact O-CB 3.21Å; V497-S501 PolarHBondContact O-N 2.91Å; V497-S501 PolarHBondContact O-OG 3.03Å; I499-S501 VanDerWaalsContact C-N 3.25Å; I499-S501 PolarHBondContact O-N 2.61Å; S501-N504 PolarHBondContact O-ND2 3.42Å
502A94.2Very high94Very high21 Ų2155.6 Ų55.617%0.17427%0.272CS..THydrogen-bonded Turntrans-73.6157177.700000111.7M406 F498 I499 N504M406-A502 HydrophobicContact CE-CB 4.37Å; F498-A502 PolarHBondContact O-N 2.99Å; I499-A502 PolarHBondContact O-N 2.78Å; A502-N504 PolarHBondContact O-N 3.02Å; A502-N504 VanDerWaalsContact O-N 3.11Å
503F95Very high93.9Very high149 Ų14953.3 Ų53.365%0.65425%0.253SS*.THydrogen-bonded Turntrans60.214.3179.8-62.5-77.4000116.4V403 V404V403-F503 WeakPolarHBondContact O-CA 3.42Å; V403-F503 PolarHBondContact O-N 3.46Å; V404-F503 HydrophobicContact CG1-CE1 4.28Å; V404-F503 HydrophobicContact CG1-CZ 4.43Å
504N95.8Very high93.6Very high66 Ų6650.2 Ų50.235%0.35324%0.24SC..  trans-86134.9168.7-63.3-51.5000111T402 V403 E500 S501 A502 W506T402-N504 WeakPolarHBondContact CA-O 3.26Å; V403-N504 PolarHBondContact N-O 2.93Å; E500-N504 PolarHBondContact O-ND2 2.91Å; S501-N504 PolarHBondContact O-ND2 3.42Å; A502-N504 PolarHBondContact O-N 3.02Å; A502-N504 VanDerWaalsContact O-N 3.11Å; N504-W506 HydrophobicContact CB-CZ2 4.47Å; N504-W506 VanDerWaalsContact O-CD1 3.24Å
505S96.4Very high93.2Very high47 Ų4751.6 Ų51.633%0.32925%0.248SC..EExtended strand (participates in β ladder)trans-89.3139.9175-62.20000111.6A401 T402 V533A401-S505 WeakPolarHBondContact O-CA 3.21Å; T402-S505 PolarHBondContact OG1-OG 2.93Å; S505-V533 WeakPolarHBondContact O-CG2 3.47Å
506W97.4Very high92.7Very high39 Ų3957.4 Ų57.415%0.14827%0.267CS..EExtended strand (participates in β ladder)trans-139.1160.9-179.6-56.185000110.9K400 A401 V473 L474 N504 F508 V530 P532K400-W506 WeakPolarHBondContact CA-O 3.43Å; A401-W506 PolarHBondContact N-O 2.87Å; A401-W506 PolarHBondContact O-N 3.09Å; V473-W506 HydrophobicContact CG1-CE3 4.31Å; V473-W506 HydrophobicContact CG1-CH2 4Å; V473-W506 HydrophobicContact CG1-CZ3 3.65Å; L474-W506 HydrophobicContact CD2-CD2 3.99Å; L474-W506 HydrophobicContact CD2-CG 3.93Å; L474-W506 HydrophobicContact CD2-CZ2 4.43Å; N504-W506 HydrophobicContact CB-CZ2 4.47Å; N504-W506 VanDerWaalsContact O-CD1 3.24Å; W506-F508 HydrophobicContact CB-CD2 4.16Å; W506-F508 HydrophobicContact CB-CE1 4.44Å; W506-F508 HydrophobicContact CB-CE2 3.64Å; W506-F508 HydrophobicContact CB-CZ 3.79Å; W506-F508 HydrophobicContact CG-CE2 4.41Å; W506-F508 HydrophobicContact CG-CZ 4.19Å; W506-V530 HydrophobicContact CB-CG2 3.67Å; W506-V530 HydrophobicContact CD2-CG2 4.05Å; W506-V530 HydrophobicContact CE3-CG2 3.94Å; W506-V530 HydrophobicContact CG-CG2 3.96Å; W506-P532 HydrophobicContact CZ3-CB 4.38Å
507I94.5Very high91.8Very high25 Ų2560 Ų6013%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-92.3112.4164.9-55.4-50.6000107.6W377 T398 K400 V530 K531 V533 Y538W377-I507 HydrophobicContact CH2-CD1 3.59Å; W377-I507 HydrophobicContact CH2-CG1 4.1Å; W377-I507 HydrophobicContact CH2-CG2 3.73Å; W377-I507 HydrophobicContact CZ2-CG2 4.09Å; W377-I507 HydrophobicContact CZ3-CD1 3.81Å; W377-I507 HydrophobicContact CZ3-CG2 4.34Å; T398-I507 HydrophobicContact CG2-CG2 3.57Å; K400-I507 HydrophobicContact CB-CD1 3.72Å; K400-I507 HydrophobicContact CG-CD1 4Å; I507-V530 WeakPolarHBondContact O-CA 3.48Å; I507-K531 PolarHBondContact N-O 2.85Å; I507-K531 PolarHBondContact O-N 2.8Å; I507-V533 HydrophobicContact CD1-CB 4.48Å; I507-V533 HydrophobicContact CD1-CG1 4.27Å; I507-V533 HydrophobicContact CD1-CG2 3.9Å; I507-V533 HydrophobicContact CG1-CG2 4.1Å; I507-Y538 HydrophobicContact CD1-CD2 4.37Å
508F95.4Very high90.9Very high0 Ų065.6 Ų65.60%030%0.304CS..EExtended strand (participates in β ladder)trans-98.5135.6178.7-66.5-86.1000110.2T398 C399 A401 V403 I455 L474 W506 L510 V527 V530T398-F508 CarbonylContact C-O 3.55Å; T398-F508 WeakPolarHBondContact CA-O 3.29Å; C399-F508 PolarHBondContact N-O 3.08Å; C399-F508 PolarHBondContact O-N 3.43Å; A401-F508 HydrophobicContact CB-CD2 3.86Å; A401-F508 HydrophobicContact CB-CE2 3.93Å; A401-F508 WeakPolarHBondContact O-CE2 3.43Å; V403-F508 HydrophobicContact CG2-CZ 3.89Å; I455-F508 HydrophobicContact CB-CE2 4.48Å; I455-F508 HydrophobicContact CD1-CD2 4.28Å; I455-F508 HydrophobicContact CD1-CG 4.38Å; I455-F508 HydrophobicContact CG2-CE1 4.19Å; I455-F508 HydrophobicContact CG2-CE2 3.95Å; I455-F508 HydrophobicContact CG2-CZ 3.68Å; L474-F508 HydrophobicContact CD1-CE1 4.25Å; L474-F508 HydrophobicContact CD2-CE1 4.07Å; L474-F508 HydrophobicContact CD2-CZ 4.1Å; W506-F508 HydrophobicContact CB-CD2 4.16Å; W506-F508 HydrophobicContact CB-CE1 4.44Å; W506-F508 HydrophobicContact CB-CE2 3.64Å; W506-F508 HydrophobicContact CB-CZ 3.79Å; W506-F508 HydrophobicContact CG-CE2 4.41Å; W506-F508 HydrophobicContact CG-CZ 4.19Å; F508-L510 HydrophobicContact CB-CD1 4.4Å; F508-L510 HydrophobicContact CB-CD2 3.92Å; F508-L510 HydrophobicContact CB-CG 3.93Å; F508-V527 HydrophobicContact CD1-CG1 3.99Å; F508-V527 HydrophobicContact CD1-CG2 4.06Å; F508-V527 HydrophobicContact CE1-CG2 4.41Å; F508-V530 HydrophobicContact CD1-CB 4.29Å; F508-V530 HydrophobicContact CD1-CG2 3.94Å; F508-V530 HydrophobicContact CE1-CB 4.42Å; F508-V530 HydrophobicContact CE1-CG2 3.77Å; F508-V530 HydrophobicContact CZ-CG2 4.34Å
509R91.6Very high90.1Very high64 Ų6473.3 Ų73.324%0.24235%0.346CS..EExtended strand (participates in β ladder)trans-101.4116.5158.5-172.1172.6170.3-168-11.5108.1S361 G362 F397 A528 D529S361-R509 PolarHBondContact O-NH2 3.46Å; G362-R509 PolarHBondContact O-NE 2.79Å; G362-R509 PolarHBondContact O-NH2 3.42Å; F397-R509 CarbonylContact O-C 3.59Å; F397-R509 WeakPolarHBondContact O-CA 3.4Å; R509-A528 HydrophobicContact CG-CB 4.46Å; R509-A528 WeakPolarHBondContact O-CB 3.31Å; R509-A528 PolarHBondContact O-N 3.27Å; R509-D529 HydrophobicContact CB-CB 4.06Å; R509-D529 PolarHBondContact N-O 2.93Å; R509-D529 PolarHBondContact O-N 3.24Å
510L93.4Very high89.5Confident0 Ų075.5 Ų75.50%035%0.354CS..EExtended strand (participates in β ladder)trans-110.3138-170.9-63.2178.5000110.2L380 Y396 F397 C399 I455 L462 V464 F508 V525 V527L380-L510 HydrophobicContact CD2-CD1 4.15Å; Y396-L510 VanDerWaalsContact CA-O 3.28Å; Y396-L510 WeakPolarHBondContact CA-O 2.83Å; F397-L510 HydrophobicContact CD1-CB 4.07Å; F397-L510 HydrophobicContact CE1-CB 3.52Å; F397-L510 HydrophobicContact CE1-CD1 4.22Å; F397-L510 HydrophobicContact CE1-CG 4.49Å; F397-L510 HydrophobicContact CE2-CB 4.11Å; F397-L510 HydrophobicContact CE2-CD1 3.58Å; F397-L510 HydrophobicContact CE2-CG 4.32Å; F397-L510 HydrophobicContact CZ-CB 3.53Å; F397-L510 HydrophobicContact CZ-CD1 3.33Å; F397-L510 HydrophobicContact CZ-CG 4.01Å; F397-L510 PolarHBondContact N-O 2.74Å; F397-L510 PolarHBondContact O-N 3.32Å; C399-L510 VanDerWaalsContact SG-CD1 3.59Å; I455-L510 HydrophobicContact CD1-CD1 3.88Å; I455-L510 HydrophobicContact CD1-CD2 4.42Å; L462-L510 HydrophobicContact CD2-CD1 4.32Å; V464-L510 HydrophobicContact CG1-CD2 3.95Å; F508-L510 HydrophobicContact CB-CD1 4.4Å; F508-L510 HydrophobicContact CB-CD2 3.92Å; F508-L510 HydrophobicContact CB-CG 3.93Å; L510-V525 HydrophobicContact CB-CG1 3.96Å; L510-V525 HydrophobicContact CD1-CG1 4.33Å; L510-V525 HydrophobicContact CD2-CG1 4.21Å; L510-V525 HydrophobicContact CG-CG1 4.4Å; L510-V527 HydrophobicContact CD2-CB 4.43Å; L510-V527 HydrophobicContact CD2-CG2 3.83Å
511R91Very high89Confident70 Ų7075.7 Ų75.726%0.26435%0.354SS..EExtended strand (participates in β ladder)trans-109.7114.6172.9178.8-175-173.9-96.76.8109.1A394 D395 Y396 V525 V526A394-R511 HydrophobicContact CB-CG 3.82Å; D395-R511 CarbonylContact O-C 3.52Å; D395-R511 WeakPolarHBondContact O-CA 3.49Å; Y396-R511 HydrophobicContact CD1-CB 3.99Å; Y396-R511 HydrophobicContact CD1-CG 4.33Å; Y396-R511 HydrophobicContact CD2-CG 4.46Å; Y396-R511 HydrophobicContact CE1-CB 3.69Å; Y396-R511 HydrophobicContact CE1-CG 3.77Å; Y396-R511 HydrophobicContact CE2-CG 3.86Å; Y396-R511 WeakPolarHBondContact OH-CD 3.49Å; Y396-R511 PolarHBondContact OH-NE 2.83Å; R511-V525 WeakPolarHBondContact O-CA 3.31Å; R511-V526 PolarHBondContact N-O 3.45Å; R511-V526 PolarHBondContact O-N 2.83Å
512A90.7Very high88.6Confident0 Ų084.2 Ų84.20%039%0.385CS..EExtended strand (participates in β ladder)trans-103.6124177.300000110.4V388 G389 D395 F397 L523 V525V388-A512 HydrophobicContact CG1-CB 3.86Å; G389-A512 WeakPolarHBondContact CA-O 3.36Å; D395-A512 HydrophobicContact CB-CB 4.14Å; D395-A512 PolarHBondContact N-O 3.47Å; D395-A512 PolarHBondContact O-N 3.2Å; F397-A512 HydrophobicContact CE1-CB 4.44Å; A512-L523 HydrophobicContact CB-CD1 4.17Å; A512-V525 HydrophobicContact CB-CG2 4.22Å
513K89.8Confident88.3Confident67 Ų6786.2 Ų86.229%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-143.3135.6176.1-170.1175.9-179.51790110.1A394 D515 R524A394-K513 HydrophobicContact CB-CB 3.96Å; A394-K513 HydrophobicContact CB-CD 4.32Å; A394-K513 HydrophobicContact CB-CG 4.3Å; K513-D515 PolarHBondContact O-N 3.38Å; K513-R524 PolarHBondContact N-O 2.85Å; K513-R524 PolarHBondContact O-N 2.95Å
514V88.1Confident88.2Confident32 Ų3284 Ų8419%0.19438%0.38CS..EExtended strand (participates in β ladder)trans-77115.8169.8176.90000107.9G389 E521 L523G389-V514 PolarHBondContact O-N 2.65Å; V514-E521 HydrophobicContact CG1-CB 3.74Å; V514-E521 HydrophobicContact CG1-CG 3.91Å; V514-L523 HydrophobicContact CG2-CD1 3.93Å
515D84.4Confident88.1Confident59 Ų5981.2 Ų81.232%0.31637%0.366SS..EExtended strand (participates in β ladder)trans-93.6135.3169.9-73.5-22.8000107.9K513 R522 R524K513-D515 PolarHBondContact O-N 3.38Å; D515-R522 PolarHBondContact N-O 3.16Å; D515-R522 PolarHBondContact O-N 2.79Å; D515-R524 WeakPolarHBondContact OD2-CD 3.11Å; D515-R524 IonicContact OD2-NH1 3.87Å
516R81.9Confident88Confident197 Ų19779.8 Ų79.874%0.74336%0.355SS*.EExtended strand (participates in β ladder)trans-98.3118172-77.4178.4179.1175.10.3108.9E520 E521R516-E520 WeakPolarHBondContact CA-O 3.4Å; R516-E521 HydrophobicContact CG-CG 3.7Å; R516-E521 IonicContact CZ-OE1 2.78Å; R516-E521 IonicContact NE-OE1 3.23Å; R516-E521 PolarHBondContact NE-OE1 3.47Å; R516-E521 IonicContact NH2-OE1 3.99Å; R516-E521 PolarHBondContact NH2-OE1 2.95Å
517Y75.7Confident88Confident176 Ų17678.2 Ų78.269%0.6935%0.349SS*.EExtended strand (participates in β ladder)trans-135.9125.1176.6-175.8-96000109.5D519 E520Y517-D519 VanDerWaalsContact C-N 3.27Å; Y517-D519 PolarHBondContact O-N 2.94Å; Y517-E520 PolarHBondContact N-O 2.62Å; Y517-E520 PolarHBondContact O-N 3.36Å
518N76.7Confident87.8Confident128 Ų12879.3 Ų79.368%0.68436%0.362SS*.THydrogen-bonded Turntrans47.347.1-175.6-68.4-8.9000113.3E520N518-E520 PolarHBondContact O-N 3.13Å
519D76.3Confident87.6Confident171 Ų17181.1 Ų81.191%0.91437%0.372SS*.THydrogen-bonded Turntrans63.13.8-177.8-55.9-42.3000116.3Y517Y517-D519 VanDerWaalsContact C-N 3.27Å; Y517-D519 PolarHBondContact O-N 2.94Å
520E82.3Confident87.7Confident153 Ų15378.5 Ų78.572%0.71536%0.363SS*.EExtended strand (participates in β ladder)trans-92.3128.7169.3-68.4-172.516900111.1R516 Y517 N518R516-E520 WeakPolarHBondContact CA-O 3.4Å; Y517-E520 PolarHBondContact N-O 2.62Å; Y517-E520 PolarHBondContact O-N 3.36Å; N518-E520 PolarHBondContact O-N 3.13Å
521E83.3Confident87.6Confident117 Ų11784.3 Ų84.355%0.54739%0.388SS..EExtended strand (participates in β ladder)trans-87.9119.4170.1-76.6-174.1175.600110V514 R516V514-E521 HydrophobicContact CG1-CB 3.74Å; V514-E521 HydrophobicContact CG1-CG 3.91Å; R516-E521 HydrophobicContact CG-CG 3.7Å; R516-E521 IonicContact CZ-OE1 2.78Å; R516-E521 IonicContact NE-OE1 3.23Å; R516-E521 PolarHBondContact NE-OE1 3.47Å; R516-E521 IonicContact NH2-OE1 3.99Å; R516-E521 PolarHBondContact NH2-OE1 2.95Å
522R86.2Confident87.7Confident188 Ų18885.6 Ų85.671%0.70941%0.406SS*.EExtended strand (participates in β ladder)trans-126.3124.9175.3-173.1175.3177.6174.82.1110.7D515 R524D515-R522 PolarHBondContact N-O 3.16Å; D515-R522 PolarHBondContact O-N 2.79Å; R522-R524 PolarHBondContact O-N 3.08Å
523L88.9Confident87.8Confident63 Ų6387 Ų8733%0.3341%0.414SS..EExtended strand (participates in β ladder)trans-66.9116.6169.8-173.663.5000109.5V383 V388 A512 V514 V525V383-L523 HydrophobicContact CG1-CD2 3.59Å; V388-L523 HydrophobicContact CG1-CD2 4.42Å; V388-L523 WeakPolarHBondContact O-CD1 3.4Å; A512-L523 HydrophobicContact CB-CD1 4.17Å; V514-L523 HydrophobicContact CG2-CD1 3.93Å; L523-V525 HydrophobicContact CG-CG2 4.3Å
524R91.6Very high87.8Confident102 Ų10287.8 Ų87.839%0.38542%0.422SS..EExtended strand (participates in β ladder)trans-106124.4174.2-171.2178.7-177.1176.71.6109.3K513 D515 R522 V526K513-R524 PolarHBondContact N-O 2.85Å; K513-R524 PolarHBondContact O-N 2.95Å; D515-R524 WeakPolarHBondContact OD2-CD 3.11Å; D515-R524 IonicContact OD2-NH1 3.87Å; R522-R524 PolarHBondContact O-N 3.08Å; R524-V526 HydrophobicContact CG-CG2 4.23Å
525V94.8Very high87.9Confident8 Ų892.3 Ų92.35%0.04844%0.444CS..EExtended strand (participates in β ladder)trans-109.3123.8175.3-171.50000109.5V383 L462 V464 T465 L510 R511 A512 L523V383-V525 HydrophobicContact CG1-CG2 4.08Å; L462-V525 HydrophobicContact CD1-CG2 4.27Å; L462-V525 HydrophobicContact CD2-CB 4.33Å; L462-V525 HydrophobicContact CD2-CG1 4.03Å; L462-V525 HydrophobicContact CD2-CG2 4.17Å; V464-V525 WeakPolarHBondContact CA-O 3.42Å; V464-V525 HydrophobicContact CG1-CB 4.33Å; V464-V525 HydrophobicContact CG1-CG1 3.96Å; T465-V525 PolarHBondContact N-O 3.37Å; L510-V525 HydrophobicContact CB-CG1 3.96Å; L510-V525 HydrophobicContact CD1-CG1 4.33Å; L510-V525 HydrophobicContact CD2-CG1 4.21Å; L510-V525 HydrophobicContact CG-CG1 4.4Å; R511-V525 WeakPolarHBondContact O-CA 3.31Å; A512-V525 HydrophobicContact CB-CG2 4.22Å; L523-V525 HydrophobicContact CG-CG2 4.3Å
526V95.2Very high88.1Confident16 Ų1693.5 Ų93.510%0.09745%0.453CS..EExtended strand (participates in β ladder)trans-116.9135.6-178.3177.70000108.5T465 F467 R511 R524 A528T465-V526 WeakPolarHBondContact O-CA 3.19Å; F467-V526 HydrophobicContact CD2-CG1 3.74Å; F467-V526 HydrophobicContact CE2-CG1 3.57Å; F467-V526 HydrophobicContact CE2-CG2 4.37Å; R511-V526 PolarHBondContact N-O 3.45Å; R511-V526 PolarHBondContact O-N 2.83Å; R524-V526 HydrophobicContact CG-CG2 4.23Å; V526-A528 PolarHBondContact O-N 3.23Å
527V96Very high88Confident6 Ų688.2 Ų88.24%0.03644%0.44CS..EExtended strand (participates in β ladder)trans-72.8111.7169.5-176.80000108V464 T465 C466 A470 F508 L510 D529 V530V464-V527 HydrophobicContact CB-CG2 3.88Å; V464-V527 HydrophobicContact CG2-CG2 3.73Å; T465-V527 PolarHBondContact O-N 3.02Å; C466-V527 WeakPolarHBondContact SG-CG2 3.37Å; A470-V527 HydrophobicContact CB-CB 4.22Å; A470-V527 HydrophobicContact CB-CG1 3.82Å; F508-V527 HydrophobicContact CD1-CG1 3.99Å; F508-V527 HydrophobicContact CD1-CG2 4.06Å; F508-V527 HydrophobicContact CE1-CG2 4.41Å; L510-V527 HydrophobicContact CD2-CB 4.43Å; L510-V527 HydrophobicContact CD2-CG2 3.83Å; V527-D529 WeakPolarHBondContact CG1-O 3.17Å; V527-V530 HydrophobicContact CG1-CB 4.11Å
528A89.9Confident88.5Confident48 Ų4882.2 Ų82.240%0.39742%0.416SS..EExtended strand (participates in β ladder)trans-80.2-38.3175.100000111Y396 R509 V526Y396-A528 HydrophobicContact CE1-CB 4.34Å; R509-A528 HydrophobicContact CG-CB 4.46Å; R509-A528 WeakPolarHBondContact O-CB 3.31Å; R509-A528 PolarHBondContact O-N 3.27Å; V526-A528 PolarHBondContact O-N 3.23Å
529D91Very high89.1Confident39 Ų3979 Ų7921%0.20940%0.404CS..EExtended strand (participates in β ladder)trans-154.6153.4177.7-17221.1000110R509 V527 K531R509-D529 HydrophobicContact CB-CB 4.06Å; R509-D529 PolarHBondContact N-O 2.93Å; R509-D529 PolarHBondContact O-N 3.24Å; V527-D529 WeakPolarHBondContact CG1-O 3.17Å; D529-K531 WeakPolarHBondContact OD2-CE 3.5Å; D529-K531 IonicContact OD2-NZ 3.39Å
530V94.2Very high89.5Confident8 Ų878.2 Ų78.25%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-142.3129.4178.7610000110.2A470 V473 L474 W506 I507 F508 V527A470-V530 HydrophobicContact CB-CG1 3.91Å; V473-V530 HydrophobicContact CB-CG1 3.86Å; V473-V530 HydrophobicContact CG1-CG1 3.8Å; V473-V530 HydrophobicContact CG2-CG1 4.49Å; L474-V530 HydrophobicContact CD2-CG2 3.91Å; L474-V530 HydrophobicContact CG-CG2 4.48Å; W506-V530 HydrophobicContact CB-CG2 3.67Å; W506-V530 HydrophobicContact CD2-CG2 4.05Å; W506-V530 HydrophobicContact CE3-CG2 3.94Å; W506-V530 HydrophobicContact CG-CG2 3.96Å; I507-V530 WeakPolarHBondContact O-CA 3.48Å; F508-V530 HydrophobicContact CD1-CB 4.29Å; F508-V530 HydrophobicContact CD1-CG2 3.94Å; F508-V530 HydrophobicContact CE1-CB 4.42Å; F508-V530 HydrophobicContact CE1-CG2 3.77Å; F508-V530 HydrophobicContact CZ-CG2 4.34Å; V527-V530 HydrophobicContact CG1-CB 4.11Å
531K91.4Very high89.5Confident123 Ų12374.7 Ų74.754%0.53537%0.368SS..EExtended strand (participates in β ladder)trans-130149.1-177.7-64.9-173.2-175.9-178.10111.7I507 D529I507-K531 PolarHBondContact N-O 2.85Å; I507-K531 PolarHBondContact O-N 2.8Å; D529-K531 WeakPolarHBondContact OD2-CE 3.5Å; D529-K531 IonicContact OD2-NZ 3.39Å
532P94.2Very high89.7Confident97 Ų9772.7 Ų72.763%0.6336%0.361SS*.EExtended strand (participates in β ladder)trans-59.7151170.627.5-34.8000110.2W506 D534W506-P532 HydrophobicContact CZ3-CB 4.38Å; P532-D534 PolarHBondContact O-N 2.83Å
533V92.6Very high89.7Confident30 Ų3068.6 Ų68.618%0.18235%0.353CS..  trans-76.2109.8177.3-175.40000109K400 S505 I507 L535 Y538K400-V533 HydrophobicContact CG-CG2 4.42Å; S505-V533 WeakPolarHBondContact O-CG2 3.47Å; I507-V533 HydrophobicContact CD1-CB 4.48Å; I507-V533 HydrophobicContact CD1-CG1 4.27Å; I507-V533 HydrophobicContact CD1-CG2 3.9Å; I507-V533 HydrophobicContact CG1-CG2 4.1Å; V533-L535 HydrophobicContact CG1-CD2 4.26Å; V533-L535 PolarHBondContact O-N 2.97Å; V533-Y538 HydrophobicContact CG1-CD1 4.45Å; V533-Y538 HydrophobicContact CG1-CG 4.21Å
534D88.8Confident89.3Confident83 Ų8372.1 Ų72.144%0.44437%0.365SS..  trans-71.4111.4163.4-174.6-40.5000108.5P532 V536 D537 Y538P532-D534 PolarHBondContact O-N 2.83Å; D534-V536 VanDerWaalsContact C-N 3.31Å; D534-V536 PolarHBondContact O-N 3.32Å; D534-V536 WeakPolarHBondContact OD1-CA 3.26Å; D534-V536 WeakPolarHBondContact OD1-CB 3.32Å; D534-V536 PolarHBondContact OD1-N 3.18Å; D534-D537 HydrophobicContact CB-CB 4.12Å; D534-D537 PolarHBondContact OD1-N 3.08Å; D534-Y538 WeakPolarHBondContact O-CB 3.43Å; D534-Y538 PolarHBondContact O-N 3.02Å
535L90.7Very high88.7Confident127 Ų12769.4 Ų69.467%0.66536%0.364SS*.Hα-helixtrans-66-33.4-176.6-62.7179.5000112.5V533 S539V533-L535 HydrophobicContact CG1-CD2 4.26Å; V533-L535 PolarHBondContact O-N 2.97Å; L535-S539 WeakPolarHBondContact O-CB 3.44Å; L535-S539 PolarHBondContact O-N 2.91Å; L535-S539 PolarHBondContact O-OG 3.45Å
536V89Confident88.2Confident84 Ų8473.7 Ų73.751%0.50939%0.386SS..Hα-helixtrans-71.6-50.4-178.6-1800000109.4D534 S539 R540D534-V536 VanDerWaalsContact C-N 3.31Å; D534-V536 PolarHBondContact O-N 3.32Å; D534-V536 WeakPolarHBondContact OD1-CA 3.26Å; D534-V536 WeakPolarHBondContact OD1-CB 3.32Å; D534-V536 PolarHBondContact OD1-N 3.18Å; V536-S539 PolarHBondContact O-N 2.96Å; V536-R540 WeakPolarHBondContact O-CG 3.43Å; V536-R540 PolarHBondContact O-N 3.05Å
537D80.1Confident87.6Confident86 Ų8677.6 Ų77.646%0.4641%0.406SS..Hα-helixtrans-65.6-42.4179.3-77.8-14.6000112.1D534 S539 R540 R541D534-D537 HydrophobicContact CB-CB 4.12Å; D534-D537 PolarHBondContact OD1-N 3.08Å; D537-S539 VanDerWaalsContact C-N 3.32Å; D537-S539 PolarHBondContact O-N 3.29Å; D537-R540 PolarHBondContact O-N 2.64Å; D537-R540 IonicContact OD1-CZ 2.68Å; D537-R540 IonicContact OD1-NH1 2.67Å; D537-R540 PolarHBondContact OD1-NH1 2.95Å; D537-R541 PolarHBondContact O-N 3.14Å
538Y86Confident86.5Confident50 Ų5082 Ų8220%0.19643%0.43CS..Hα-helixtrans-65-36.9176.5-169.8-108.3000111.8W377 K400 I507 V533 D534 R541 L542W377-Y538 HydrophobicContact CH2-CD2 4.06Å; W377-Y538 HydrophobicContact CH2-CE2 4.32Å; W377-Y538 AromaticContact CZ3-CD2 3.95Å; W377-Y538 HydrophobicContact CZ3-CD2 3.95Å; W377-Y538 AromaticContact CZ3-CE2 3.73Å; W377-Y538 HydrophobicContact CZ3-CE2 3.73Å; K400-Y538 HydrophobicContact CB-CE2 3.84Å; K400-Y538 HydrophobicContact CD-CD1 4.18Å; K400-Y538 HydrophobicContact CD-CE1 3.46Å; K400-Y538 VanDerWaalsContact CD-CE1 3.46Å; K400-Y538 HydrophobicContact CD-CE2 3.94Å; K400-Y538 WeakPolarHBondContact CD-OH 3.35Å; K400-Y538 HydrophobicContact CG-CE2 4.43Å; I507-Y538 HydrophobicContact CD1-CD2 4.37Å; V533-Y538 HydrophobicContact CG1-CD1 4.45Å; V533-Y538 HydrophobicContact CG1-CG 4.21Å; D534-Y538 WeakPolarHBondContact O-CB 3.43Å; D534-Y538 PolarHBondContact O-N 3.02Å; Y538-R541 WeakPolarHBondContact O-CB 3.36Å; Y538-R541 PolarHBondContact O-N 3.2Å; Y538-L542 HydrophobicContact CD1-CD1 3.89Å; Y538-L542 HydrophobicContact CD1-CG 4.23Å; Y538-L542 HydrophobicContact CE1-CD1 3.52Å; Y538-L542 HydrophobicContact CE1-CD2 4.2Å; Y538-L542 HydrophobicContact CE1-CG 3.88Å; Y538-L542 WeakPolarHBondContact O-CG 3.29Å; Y538-L542 PolarHBondContact O-N 3.31Å
539S89.1Confident85.9Confident61 Ų6185 Ų8543%0.42744%0.438SS..Hα-helixtrans-66-41.9175.3-62.90000112.4L535 V536 D537 R541 L542 L543L535-S539 WeakPolarHBondContact O-CB 3.44Å; L535-S539 PolarHBondContact O-N 2.91Å; L535-S539 PolarHBondContact O-OG 3.45Å; V536-S539 PolarHBondContact O-N 2.96Å; D537-S539 VanDerWaalsContact C-N 3.32Å; D537-S539 PolarHBondContact O-N 3.29Å; S539-R541 VanDerWaalsContact C-N 3.28Å; S539-R541 PolarHBondContact O-N 3.48Å; S539-L542 PolarHBondContact O-N 3.36Å; S539-L543 WeakPolarHBondContact O-CB 3.33Å; S539-L543 WeakPolarHBondContact O-CG 3.5Å; S539-L543 PolarHBondContact O-N 3.02Å
540R84.2Confident85.1Confident154 Ų15485.8 Ų85.858%0.58145%0.447SS*.Hα-helixtrans-59.8-40.4173.9-69178.3-165.6142.5-4.3111.6V536 D537 L543 K544V536-R540 WeakPolarHBondContact O-CG 3.43Å; V536-R540 PolarHBondContact O-N 3.05Å; D537-R540 PolarHBondContact O-N 2.64Å; D537-R540 IonicContact OD1-CZ 2.68Å; D537-R540 IonicContact OD1-NH1 2.67Å; D537-R540 PolarHBondContact OD1-NH1 2.95Å; R540-L543 PolarHBondContact O-N 2.8Å; R540-K544 PolarHBondContact O-N 2.68Å
541R82.6Confident83.5Confident79 Ų7988.7 Ų88.730%0.29847%0.472SS..Hα-helixtrans-61.4-48175.1-173.2-164.6-170.476.220.8111.7D365 W377 D537 Y538 S539 K544 A545D365-R541 VanDerWaalsContact CG-NH2 3.31Å; D365-R541 IonicContact OD1-NH2 3.86Å; D365-R541 PolarHBondContact OD1-NH2 3.11Å; D365-R541 IonicContact OD2-CZ 3.64Å; D365-R541 IonicContact OD2-NH1 2.59Å; D365-R541 PolarHBondContact OD2-NH1 3.01Å; D365-R541 IonicContact OD2-NH2 3.82Å; D365-R541 PolarHBondContact OD2-NH2 2.94Å; W377-R541 VanDerWaalsContact CD2-NE 3.35Å; W377-R541 VanDerWaalsContact CD2-NH1 3.29Å; W377-R541 VanDerWaalsContact CE2-CZ 3.47Å; W377-R541 VanDerWaalsContact CG-NH1 3.29Å; D537-R541 PolarHBondContact O-N 3.14Å; Y538-R541 WeakPolarHBondContact O-CB 3.36Å; Y538-R541 PolarHBondContact O-N 3.2Å; S539-R541 VanDerWaalsContact C-N 3.28Å; S539-R541 PolarHBondContact O-N 3.48Å; R541-K544 WeakPolarHBondContact O-CB 3.31Å; R541-K544 PolarHBondContact O-N 3.19Å; R541-A545 PolarHBondContact O-N 2.88Å
542L87.4Confident81.9Confident74 Ų7487.6 Ų87.639%0.38748%0.476SS..Hα-helixtrans-62.3-44.1178.2-72.1179.6000111.5Y538 S539 K544 A545 I546Y538-L542 HydrophobicContact CD1-CD1 3.89Å; Y538-L542 HydrophobicContact CD1-CG 4.23Å; Y538-L542 HydrophobicContact CE1-CD1 3.52Å; Y538-L542 HydrophobicContact CE1-CD2 4.2Å; Y538-L542 HydrophobicContact CE1-CG 3.88Å; Y538-L542 WeakPolarHBondContact O-CG 3.29Å; Y538-L542 PolarHBondContact O-N 3.31Å; S539-L542 PolarHBondContact O-N 3.36Å; L542-K544 VanDerWaalsContact C-N 3.3Å; L542-K544 PolarHBondContact O-N 2.92Å; L542-A545 PolarHBondContact O-N 3.36Å; L542-A545 VanDerWaalsContact O-N 3.15Å; L542-I546 VanDerWaalsContact O-CG1 3.26Å; L542-I546 WeakPolarHBondContact O-CG1 3.43Å; L542-I546 PolarHBondContact O-N 2.76Å
543L86.9Confident80Confident103 Ų10389.4 Ų89.454%0.53948%0.48SS..Hα-helixtrans-57.6-43.8175.6-75.9169.6000111.7S539 R540 I546 N547S539-L543 WeakPolarHBondContact O-CB 3.33Å; S539-L543 WeakPolarHBondContact O-CG 3.5Å; S539-L543 PolarHBondContact O-N 3.02Å; R540-L543 PolarHBondContact O-N 2.8Å; L543-I546 PolarHBondContact O-N 3.29Å; L543-N547 WeakPolarHBondContact O-CB 3.24Å; L543-N547 PolarHBondContact O-N 2.98Å; L543-N547 PolarHBondContact O-ND2 2.89Å
544K79.3Confident77.9Confident136 Ų13692.9 Ų92.959%0.59151%0.505SS*.Hα-helixtrans-59.2-49174.4-175.9179.2177.3-179.40111.5R540 R541 L542 I546 N547 D548R540-K544 PolarHBondContact O-N 2.68Å; R541-K544 WeakPolarHBondContact O-CB 3.31Å; R541-K544 PolarHBondContact O-N 3.19Å; L542-K544 VanDerWaalsContact C-N 3.3Å; L542-K544 PolarHBondContact O-N 2.92Å; K544-I546 VanDerWaalsContact C-N 3.33Å; K544-I546 PolarHBondContact O-N 3.39Å; K544-N547 PolarHBondContact O-N 3.03Å; K544-D548 WeakPolarHBondContact O-CB 3.31Å; K544-D548 PolarHBondContact O-N 3.34Å
545A79.4Confident75.5Confident45 Ų4599.4 Ų99.437%0.37254%0.538SS..Hα-helixtrans-62.2-38.8178.900000112.8R541 L542 L549R541-A545 PolarHBondContact O-N 2.88Å; L542-A545 PolarHBondContact O-N 3.36Å; L542-A545 VanDerWaalsContact O-N 3.15Å; A545-L549 WeakPolarHBondContact O-CD1 3.34Å; A545-L549 WeakPolarHBondContact O-CG 3.45Å; A545-L549 PolarHBondContact O-N 2.94Å; A545-L549 VanDerWaalsContact O-N 3.07Å
546I84.4Confident74.7Confident99 Ų9998.1 Ų98.151%0.50853%0.531SS..Hα-helixtrans-64.8-45.2175.6-68.8165.4000110.6L542 L543 K544 L549 S550L542-I546 VanDerWaalsContact O-CG1 3.26Å; L542-I546 WeakPolarHBondContact O-CG1 3.43Å; L542-I546 PolarHBondContact O-N 2.76Å; L543-I546 PolarHBondContact O-N 3.29Å; K544-I546 VanDerWaalsContact C-N 3.33Å; K544-I546 PolarHBondContact O-N 3.39Å; I546-L549 PolarHBondContact O-N 3.33Å; I546-S550 PolarHBondContact O-N 3.42Å
547N81.6Confident74Confident97 Ų9798.8 Ų98.852%0.51953%0.533SS..Hα-helixtrans-64.6-39.5178.3-69.8-19.2000112.1L543 K544 L549 S550 A551L543-N547 WeakPolarHBondContact O-CB 3.24Å; L543-N547 PolarHBondContact O-N 2.98Å; L543-N547 PolarHBondContact O-ND2 2.89Å; K544-N547 PolarHBondContact O-N 3.03Å; N547-L549 VanDerWaalsContact C-N 3.29Å; N547-L549 PolarHBondContact O-N 3.13Å; N547-S550 PolarHBondContact O-N 3.18Å; N547-S550 PolarHBondContact O-OG 3.13Å; N547-A551 PolarHBondContact O-N 3.1Å
548D74.4Confident73.7Confident100 Ų10099.5 Ų99.554%0.53554%0.537SS..Hα-helixtrans-63.4-37.7175.8-67.7-18.6000110.8K544 T552K544-D548 WeakPolarHBondContact O-CB 3.31Å; K544-D548 PolarHBondContact O-N 3.34Å; D548-T552 PolarHBondContact O-OG1 3.49Å
549L76.6Confident72.9Confident109 Ų109102.4 Ų102.457%0.57156%0.557SS**Hα-helixtrans-72.9-38.5175.1-74.5163.9000113A545 I546 N547 A551 T552 L553A545-L549 WeakPolarHBondContact O-CD1 3.34Å; A545-L549 WeakPolarHBondContact O-CG 3.45Å; A545-L549 PolarHBondContact O-N 2.94Å; A545-L549 VanDerWaalsContact O-N 3.07Å; I546-L549 PolarHBondContact O-N 3.33Å; N547-L549 VanDerWaalsContact C-N 3.29Å; N547-L549 PolarHBondContact O-N 3.13Å; L549-A551 VanDerWaalsContact C-N 3.25Å; L549-A551 PolarHBondContact O-N 3Å; L549-T552 WeakPolarHBondContact O-CA 3.46Å; L549-T552 VanDerWaalsContact O-CB 3.3Å; L549-T552 WeakPolarHBondContact O-CB 3.45Å; L549-T552 PolarHBondContact O-N 3.05Å; L549-T552 PolarHBondContact O-OG1 3.39Å; L549-L553 PolarHBondContact O-N 3.17Å; L549-L553 VanDerWaalsContact O-N 3.11Å
550S73.8Confident71.9Confident56 Ų56105 Ų10539%0.39257%0.565SS.*Hα-helixtrans-63.8-32.5-179.175.50000112.3I546 N547 T552 L553 S554I546-S550 PolarHBondContact O-N 3.42Å; N547-S550 PolarHBondContact O-N 3.18Å; N547-S550 PolarHBondContact O-OG 3.13Å; S550-T552 PolarHBondContact O-N 3.38Å; S550-L553 PolarHBondContact O-N 2.94Å; S550-S554 PolarHBondContact O-N 3.1Å; S550-S554 PolarHBondContact O-OG 2.72Å
551A61.7Low71.1Confident70 Ų70101.7 Ų101.758%0.57956%0.564SS**Hα-helixtrans-62.3-23.3172.200000112.7N547 L549N547-A551 PolarHBondContact O-N 3.1Å; L549-A551 VanDerWaalsContact C-N 3.25Å; L549-A551 PolarHBondContact O-N 3Å
552T56.6Low70.3Confident100 Ų100103.4 Ų103.461%0.61358%0.583SS**Hα-helixtrans-92.2-23.9179.4-32.80000112.2D548 L549 S550D548-T552 PolarHBondContact O-OG1 3.49Å; L549-T552 WeakPolarHBondContact O-CA 3.46Å; L549-T552 VanDerWaalsContact O-CB 3.3Å; L549-T552 WeakPolarHBondContact O-CB 3.45Å; L549-T552 PolarHBondContact O-N 3.05Å; L549-T552 PolarHBondContact O-OG1 3.39Å; S550-T552 PolarHBondContact O-N 3.38Å
553L55Low69Low135 Ų135105.6 Ų105.671%0.70760%0.598SS**Hα-helixtrans-88.6-4.3178.8-69.6165.5000113.5L549 S550 I555L549-L553 PolarHBondContact O-N 3.17Å; L549-L553 VanDerWaalsContact O-N 3.11Å; S550-L553 PolarHBondContact O-N 2.94Å; L553-I555 PolarHBondContact O-N 3.37Å
554S47.9Very low67.5Low102 Ų102105.8 Ų105.871%0.71360%0.603SS**  trans-81.267.6173.7-55.60000110.4S550S550-S554 PolarHBondContact O-N 3.1Å; S550-S554 PolarHBondContact O-OG 2.72Å
555I39Very low66.4Low221 Ų221103.1 Ų103.1100%1.13360%0.604SS**  trans-130.60164.8-52.1174.6000105.5L553L553-I555 PolarHBondContact O-N 3.37Å

Retrieved 555 of 555 residues in 468.6 ms (Link to these results)

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