A0A087Y8A6_POEFO Loading...

Thymocyte selection associated family member 2

AlphaFold DB , UniProt , Accession A0A087Y8A6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1A82.6Confident90.3Very high85 Ų8548.5 Ų48.570%0.70229%0.291SS*.  0144.5000000107.3C23 D233 V234 V235A1-C23 HydrophobicContact CB-CB 3.92Å; A1-D233 HydrophobicContact CB-CB 3.85Å; A1-V234 CarbonylContact C-O 3.51Å; A1-V234 VanDerWaalsContact CA-O 3.26Å; A1-V234 WeakPolarHBondContact CA-O 2.95Å; A1-V235 HydrophobicContact CB-CG2 3.78Å
2L91.7Very high89.8Confident88 Ų8852 Ų5246%0.46131%0.307SS..EExtended strand (participates in β ladder)trans-118.4150177.1-68.9171.4000108.7L4 F7 D233 V234L2-L4 PolarHBondContact O-N 3.09Å; L2-F7 HydrophobicContact CB-CB 4.43Å; L2-F7 HydrophobicContact CD1-CD2 4.29Å; L2-D233 CarbonylContact O-C 3.49Å; L2-D233 WeakPolarHBondContact O-CA 3.45Å; L2-V234 PolarHBondContact N-O 2.93Å; L2-V234 PolarHBondContact O-N 3.12Å
3P91.8Very high89.3Confident50 Ų5054.8 Ų54.833%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-53.8138.5168.7-23.933.8000110.7Q5 E6 F7P3-Q5 PolarHBondContact O-N 3.48Å; P3-E6 HydrophobicContact CB-CB 4.44Å; P3-E6 HydrophobicContact CB-CG 4.21Å; P3-E6 WeakPolarHBondContact CD-OE2 3.44Å; P3-E6 HydrophobicContact CG-CG 4.3Å; P3-E6 PolarHBondContact O-N 2.71Å; P3-E6 VanDerWaalsContact O-N 3.13Å; P3-F7 PolarHBondContact O-N 3.1Å
4L92.4Very high89.1Confident4 Ų459.6 Ų59.62%0.02135%0.351CS..Hα-helixtrans-53.3-42.4-178.917768.4000111.7L2 E6 F7 I8 L20 F226 L230 V232 V234L2-L4 PolarHBondContact O-N 3.09Å; L4-E6 PolarHBondContact O-N 3.09Å; L4-F7 PolarHBondContact O-N 2.84Å; L4-I8 HydrophobicContact CD1-CD1 4.23Å; L4-I8 HydrophobicContact CD1-CG1 3.75Å; L4-I8 HydrophobicContact CG-CG1 4.15Å; L4-I8 WeakPolarHBondContact O-CB 3.16Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å; L4-I8 PolarHBondContact O-N 3.2Å; L4-L20 HydrophobicContact CD1-CD1 4.22Å; L4-F226 HydrophobicContact CD2-CD2 4.23Å; L4-F226 HydrophobicContact CD2-CE2 3.85Å; L4-L230 HydrophobicContact CD2-CB 4.17Å; L4-V232 WeakPolarHBondContact CB-O 3.32Å; L4-V232 PolarHBondContact N-O 2.85Å; L4-V234 HydrophobicContact CD1-CG1 4.06Å; L4-V234 HydrophobicContact CD1-CG2 4.22Å
5Q90.9Very high89Confident43 Ų4358.8 Ų58.820%0.20135%0.349CS..Hα-helixtrans-60.5-46.2-180-168.8176.1-1.500112.2P3 A9 S208 P209 S228P3-Q5 PolarHBondContact O-N 3.48Å; Q5-A9 WeakPolarHBondContact O-CB 3.3Å; Q5-A9 PolarHBondContact O-N 3.09Å; Q5-S208 PolarHBondContact NE2-OG 2.99Å; Q5-P209 PolarHBondContact NE2-O 3.23Å; Q5-S228 VanDerWaalsContact CA-O 3.25Å; Q5-S228 WeakPolarHBondContact CA-O 3.35Å; Q5-S228 VanDerWaalsContact CB-O 3.29Å; Q5-S228 WeakPolarHBondContact CB-O 3.46Å; Q5-S228 PolarHBondContact N-O 3.18Å
6E90.6Very high89Confident120 Ų12056.8 Ų56.856%0.56134%0.336SS*.Hα-helixtrans-65.7-44.6179.2-67.4-178.3-175.100111.2P3 L4 A9 S10P3-E6 HydrophobicContact CB-CB 4.44Å; P3-E6 HydrophobicContact CB-CG 4.21Å; P3-E6 WeakPolarHBondContact CD-OE2 3.44Å; P3-E6 HydrophobicContact CG-CG 4.3Å; P3-E6 PolarHBondContact O-N 2.71Å; P3-E6 VanDerWaalsContact O-N 3.13Å; L4-E6 PolarHBondContact O-N 3.09Å; E6-A9 PolarHBondContact O-N 2.76Å; E6-S10 PolarHBondContact O-N 2.96Å
7F92.8Very high89.1Confident19 Ų1957.5 Ų57.58%0.08334%0.343CS..Hα-helixtrans-60.9-51.4178.2-175.5-91.9000111.1L2 P3 L4 A9 S10 L11 L20 V234 D236L2-F7 HydrophobicContact CB-CB 4.43Å; L2-F7 HydrophobicContact CD1-CD2 4.29Å; P3-F7 PolarHBondContact O-N 3.1Å; L4-F7 PolarHBondContact O-N 2.84Å; F7-A9 VanDerWaalsContact C-N 3.32Å; F7-A9 PolarHBondContact O-N 3.11Å; F7-S10 WeakPolarHBondContact O-CB 3.41Å; F7-S10 PolarHBondContact O-N 2.98Å; F7-S10 VanDerWaalsContact O-N 3.13Å; F7-S10 PolarHBondContact O-OG 3.48Å; F7-L11 HydrophobicContact CD1-CD1 4.17Å; F7-L11 HydrophobicContact CD1-CG 4.45Å; F7-L11 HydrophobicContact CE1-CD1 3.73Å; F7-L11 HydrophobicContact CE1-CD2 3.97Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 HydrophobicContact CZ-CD2 4.08Å; F7-L20 HydrophobicContact CD1-CD1 3.93Å; F7-L20 HydrophobicContact CD1-CD2 3.89Å; F7-L20 HydrophobicContact CE1-CD1 3.96Å; F7-L20 HydrophobicContact CE1-CD2 3.2Å; F7-L20 HydrophobicContact CE1-CG 4.2Å; F7-L20 HydrophobicContact CZ-CD2 3.57Å; F7-V234 HydrophobicContact CB-CG2 3.94Å; F7-V234 HydrophobicContact CD1-CG2 4.36Å; F7-V234 HydrophobicContact CG-CG2 4.09Å; F7-D236 HydrophobicContact CE2-CB 3.82Å; F7-D236 HydrophobicContact CZ-CB 3.73Å
8I93.3Very high89.2Confident0 Ų056.9 Ų56.90%034%0.335CS..Hα-helixtrans-62.6-38.2-179.9-65.5-65.5000111.5L4 S10 L11 L20 V50 I53 Y211 V213L4-I8 HydrophobicContact CD1-CD1 4.23Å; L4-I8 HydrophobicContact CD1-CG1 3.75Å; L4-I8 HydrophobicContact CG-CG1 4.15Å; L4-I8 WeakPolarHBondContact O-CB 3.16Å; L4-I8 WeakPolarHBondContact O-CG1 3.41Å; L4-I8 PolarHBondContact O-N 3.2Å; I8-S10 PolarHBondContact O-N 2.85Å; I8-L11 HydrophobicContact CD1-CD1 3.99Å; I8-L11 WeakPolarHBondContact O-CB 3.13Å; I8-L11 PolarHBondContact O-N 3.42Å; I8-L11 VanDerWaalsContact O-N 3.08Å; I8-L20 HydrophobicContact CD1-CD1 4.36Å; I8-V50 HydrophobicContact CD1-CG1 4.34Å; I8-V50 HydrophobicContact CD1-CG2 4.14Å; I8-I53 HydrophobicContact CD1-CG2 4.43Å; I8-I53 HydrophobicContact CG2-CB 4.45Å; I8-I53 HydrophobicContact CG2-CD1 4.39Å; I8-I53 HydrophobicContact CG2-CG2 3.87Å; I8-Y211 HydrophobicContact CG2-CD2 3.76Å; I8-Y211 HydrophobicContact CG2-CG 3.96Å; I8-V213 HydrophobicContact CD1-CG1 4.35Å; I8-V213 HydrophobicContact CD1-CG2 4.11Å; I8-V213 HydrophobicContact CG1-CG2 4.02Å; I8-V213 HydrophobicContact CG2-CG2 4.17Å
9A89.3Confident89.3Confident15 Ų1554.6 Ų54.612%0.12432%0.321CS..Hα-helixtrans-64.6-22.1177.800000114Q5 E6 F7 R189 P209 Y211Q5-A9 WeakPolarHBondContact O-CB 3.3Å; Q5-A9 PolarHBondContact O-N 3.09Å; E6-A9 PolarHBondContact O-N 2.76Å; F7-A9 VanDerWaalsContact C-N 3.32Å; F7-A9 PolarHBondContact O-N 3.11Å; A9-R189 PolarHBondContact O-NH1 2.79Å; A9-P209 HydrophobicContact CB-CG 3.75Å; A9-Y211 HydrophobicContact CB-CE2 4.22Å
10S88.4Confident89.5Confident86 Ų8652 Ų5260%0.60131%0.305SS*.THydrogen-bonded Turntrans-82.4-13.8175.4790000113.9E6 F7 I8E6-S10 PolarHBondContact O-N 2.96Å; F7-S10 WeakPolarHBondContact O-CB 3.41Å; F7-S10 PolarHBondContact O-N 2.98Å; F7-S10 VanDerWaalsContact O-N 3.13Å; F7-S10 PolarHBondContact O-OG 3.48Å; I8-S10 PolarHBondContact O-N 2.85Å
11L89.1Confident89.6Confident23 Ų2353.1 Ų53.112%0.1231%0.308CS..  trans-86.5149.9-177.6-59.1178.6000111.9F7 I8 L16 K18 I53F7-L11 HydrophobicContact CD1-CD1 4.17Å; F7-L11 HydrophobicContact CD1-CG 4.45Å; F7-L11 HydrophobicContact CE1-CD1 3.73Å; F7-L11 HydrophobicContact CE1-CD2 3.97Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 HydrophobicContact CZ-CD2 4.08Å; I8-L11 HydrophobicContact CD1-CD1 3.99Å; I8-L11 WeakPolarHBondContact O-CB 3.13Å; I8-L11 PolarHBondContact O-N 3.42Å; I8-L11 VanDerWaalsContact O-N 3.08Å; L11-L16 HydrophobicContact CD1-CD2 3.95Å; L11-K18 HydrophobicContact CD1-CG 4.41Å; L11-K18 HydrophobicContact CD2-CG 4.23Å; L11-I53 HydrophobicContact CB-CD1 4.12Å
12D84.9Confident90Very high91 Ų9149.1 Ų49.149%0.48728%0.275SS..  trans-107.3151.1162.4-179.634000110.1T14 S15D12-T14 PolarHBondContact O-N 3.43Å; D12-T14 VanDerWaalsContact O-N 3.15Å; D12-T14 WeakPolarHBondContact OD2-CB 3.38Å; D12-T14 VanDerWaalsContact OD2-CG2 3.29Å; D12-T14 WeakPolarHBondContact OD2-CG2 3.17Å; D12-T14 PolarHBondContact OD2-N 2.63Å; D12-T14 PolarHBondContact OD2-OG1 2.87Å; D12-S15 PolarHBondContact N-OG 2.89Å; D12-S15 WeakPolarHBondContact O-CB 3.38Å; D12-S15 PolarHBondContact O-N 3.21Å; D12-S15 PolarHBondContact O-OG 3.17Å
13N83.3Confident89.8Confident88 Ų8847.1 Ų47.147%0.47127%0.267SS..G310 helixtrans-59-27.4178.2-92.7-37.5000112.1S15 L16 I53N13-S15 VanDerWaalsContact C-N 3.26Å; N13-S15 PolarHBondContact O-N 3.15Å; N13-L16 PolarHBondContact O-N 2.78Å; N13-L16 WeakPolarHBondContact OD1-CD1 3.16Å; N13-I53 PolarHBondContact ND2-O 3.06Å; N13-I53 VanDerWaalsContact OD1-CG1 3.24Å; N13-I53 WeakPolarHBondContact OD1-CG1 3.21Å; N13-I53 PolarHBondContact OD1-N 3.21Å; N13-I53 VanDerWaalsContact OD1-N 3.12Å; N13-I53 PolarHBondContact OD1-O 2.8Å
14T86.6Confident89.5Confident123 Ų12347 Ų4776%0.75527%0.268SS*.G310 helixtrans-70.3-20.4174.8670000113.8D12 L16D12-T14 PolarHBondContact O-N 3.43Å; D12-T14 VanDerWaalsContact O-N 3.15Å; D12-T14 WeakPolarHBondContact OD2-CB 3.38Å; D12-T14 VanDerWaalsContact OD2-CG2 3.29Å; D12-T14 WeakPolarHBondContact OD2-CG2 3.17Å; D12-T14 PolarHBondContact OD2-N 2.63Å; D12-T14 PolarHBondContact OD2-OG1 2.87Å; T14-L16 VanDerWaalsContact C-N 3.35Å
15S86.9Confident88.6Confident47 Ų4748.1 Ų48.133%0.32928%0.28SS..G310 helixtrans-86.8-5.2-179.2750000113.9D12 N13D12-S15 PolarHBondContact N-OG 2.89Å; D12-S15 WeakPolarHBondContact O-CB 3.38Å; D12-S15 PolarHBondContact O-N 3.21Å; D12-S15 PolarHBondContact O-OG 3.17Å; N13-S15 VanDerWaalsContact C-N 3.26Å; N13-S15 PolarHBondContact O-N 3.15Å
16L89.5Confident87.4Confident27 Ų2750.9 Ų50.914%0.14130%0.3CS..  trans-83.4151.2179.2-61.2-178.7000111.1L11 N13 T14 K18 V50 G52 I53L11-L16 HydrophobicContact CD1-CD2 3.95Å; N13-L16 PolarHBondContact O-N 2.78Å; N13-L16 WeakPolarHBondContact OD1-CD1 3.16Å; T14-L16 VanDerWaalsContact C-N 3.35Å; L16-K18 HydrophobicContact CD2-CB 4.23Å; L16-K18 HydrophobicContact CD2-CG 4.01Å; L16-V50 HydrophobicContact CD1-CG1 4.25Å; L16-V50 HydrophobicContact CD2-CB 4.26Å; L16-V50 HydrophobicContact CD2-CG1 3.79Å; L16-G52 VanDerWaalsContact CD1-CA 3.49Å; L16-I53 HydrophobicContact CD1-CG1 4.26Å; L16-I53 HydrophobicContact CD1-CG2 4.35Å
17P90.1Very high86Confident68 Ų6848.5 Ų48.544%0.44229%0.286SS..  cis-83.7151.87.733.5-35.7000114.4K49 V50 I51P17-K49 HydrophobicContact CB-CG 4.16Å; P17-V50 CarbonylContact C-O 3.57Å; P17-V50 WeakPolarHBondContact CA-O 3.36Å; P17-V50 WeakPolarHBondContact CB-O 3.24Å; P17-I51 HydrophobicContact CB-CG2 4.4Å
18K91.4Very high83.9Confident47 Ų4755.4 Ų55.420%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-123.2138.8174.8-72.2-65.4-164.5157.40111.2L11 L16 L20 K49 V50 D236 T238L11-K18 HydrophobicContact CD1-CG 4.41Å; L11-K18 HydrophobicContact CD2-CG 4.23Å; L16-K18 HydrophobicContact CD2-CB 4.23Å; L16-K18 HydrophobicContact CD2-CG 4.01Å; K18-L20 HydrophobicContact CB-CD2 4.46Å; K18-K49 CarbonylContact O-C 3.59Å; K18-K49 WeakPolarHBondContact O-CA 3.3Å; K18-V50 PolarHBondContact N-O 3.48Å; K18-V50 PolarHBondContact O-N 2.98Å; K18-D236 IonicContact NZ-OD2 3.11Å; K18-D236 PolarHBondContact NZ-OD2 3.18Å; K18-T238 HydrophobicContact CD-CG2 4.44Å; K18-T238 WeakPolarHBondContact CD-OG1 3.2Å
19I91.7Very high81.2Confident14 Ų1465 Ų657%0.07236%0.361CS..EExtended strand (participates in β ladder)trans-104.4120.1177.3-54.6165.5000109.1L47 I48 K49 V237 T238 C241 F246I19-L47 HydrophobicContact CG2-CD2 4.49Å; I19-I48 WeakPolarHBondContact CA-O 3.47Å; I19-K49 HydrophobicContact CG1-CB 4.4Å; I19-K49 HydrophobicContact CG1-CG 4.26Å; I19-V237 HydrophobicContact CB-CG2 4.45Å; I19-V237 HydrophobicContact CG2-CG2 3.9Å; I19-V237 WeakPolarHBondContact O-CG2 3.43Å; I19-V237 PolarHBondContact O-N 3.04Å; I19-T238 PolarHBondContact N-OG1 2.91Å; I19-T238 PolarHBondContact O-N 3.24Å; I19-C241 HydrophobicContact CD1-CB 4.19Å; I19-C241 WeakPolarHBondContact CD1-O 3.37Å; I19-C241 HydrophobicContact CG2-CB 4.17Å; I19-F246 HydrophobicContact CD1-CE2 3.74Å; I19-F246 HydrophobicContact CD1-CZ 4.48Å; I19-F246 HydrophobicContact CG1-CE2 3.89Å; I19-F246 HydrophobicContact CG1-CZ 4.24Å; I19-F246 HydrophobicContact CG2-CE2 3.94Å; I19-F246 HydrophobicContact CG2-CZ 3.59Å
20L92.4Very high78.9Confident1 Ų168 Ų681%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-110.7139.5-178.2-49.9-176.2000110.2L4 F7 I8 K18 L47 I48 V50 V234 V235 D236L4-L20 HydrophobicContact CD1-CD1 4.22Å; F7-L20 HydrophobicContact CD1-CD1 3.93Å; F7-L20 HydrophobicContact CD1-CD2 3.89Å; F7-L20 HydrophobicContact CE1-CD1 3.96Å; F7-L20 HydrophobicContact CE1-CD2 3.2Å; F7-L20 HydrophobicContact CE1-CG 4.2Å; F7-L20 HydrophobicContact CZ-CD2 3.57Å; I8-L20 HydrophobicContact CD1-CD1 4.36Å; K18-L20 HydrophobicContact CB-CD2 4.46Å; L20-L47 CarbonylContact O-C 3.56Å; L20-L47 WeakPolarHBondContact O-CA 3.45Å; L20-I48 PolarHBondContact N-O 3.16Å; L20-I48 PolarHBondContact O-N 3.31Å; L20-V50 HydrophobicContact CD1-CG2 3.65Å; L20-V50 HydrophobicContact CG-CG2 4.11Å; L20-V234 HydrophobicContact CB-CB 4.24Å; L20-V234 HydrophobicContact CB-CG1 4.44Å; L20-V234 HydrophobicContact CD1-CB 4.46Å; L20-V234 HydrophobicContact CD1-CG2 4.26Å; L20-V235 WeakPolarHBondContact CA-O 3.31Å; L20-D236 HydrophobicContact CD2-CB 4.43Å
21Q91.6Very high76.7Confident76 Ų7666.2 Ų66.236%0.35538%0.382SS..EExtended strand (participates in β ladder)trans-103.9127.6167.7-173.2174.934.200110C23 D46 L47 V234 V235 V237Q21-C23 PolarHBondContact O-N 2.77Å; Q21-D46 WeakPolarHBondContact CA-O 3.26Å; Q21-L47 HydrophobicContact CB-CD2 3.89Å; Q21-L47 HydrophobicContact CG-CD2 4.07Å; Q21-V234 WeakPolarHBondContact O-CA 3.07Å; Q21-V235 PolarHBondContact N-O 2.99Å; Q21-V235 PolarHBondContact O-N 2.87Å; Q21-V237 HydrophobicContact CB-CG1 3.92Å; Q21-V237 HydrophobicContact CB-CG2 3.96Å
22V90.3Very high74.7Confident2 Ų270 Ų701%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-72.9121.8173.9175.70000109.7F42 G45 D46 I48 V232V22-F42 HydrophobicContact CG1-CB 4.35Å; V22-F42 HydrophobicContact CG2-CB 3.98Å; V22-F42 HydrophobicContact CG2-CG 4.42Å; V22-G45 PolarHBondContact O-N 2.83Å; V22-D46 HydrophobicContact CB-CB 4.38Å; V22-D46 HydrophobicContact CG2-CB 4.27Å; V22-D46 PolarHBondContact N-O 3.3Å; V22-I48 HydrophobicContact CG2-CD1 3.53Å; V22-I48 HydrophobicContact CG2-CG1 4.3Å; V22-V232 HydrophobicContact CB-CG1 4.31Å; V22-V232 HydrophobicContact CG1-CG1 3.54Å; V22-V232 HydrophobicContact CG2-CG1 4.03Å
23C88.2Confident73.1Confident45 Ų4570.5 Ų70.530%0.30440%0.397SS..EExtended strand (participates in β ladder)trans-97.5-45.1-179.2-67.80000111.6A1 Q21 T44 D233 V235A1-C23 HydrophobicContact CB-CB 3.92Å; Q21-C23 PolarHBondContact O-N 2.77Å; C23-T44 WeakPolarHBondContact O-CG2 3.35Å; C23-T44 PolarHBondContact O-OG1 2.91Å; C23-T44 VanDerWaalsContact O-OG1 3.09Å; C23-D233 PolarHBondContact N-O 3.44Å; C23-V235 WeakPolarHBondContact SG-CG2 3.07Å
24S85.8Confident71.5Confident49 Ų4973.3 Ų73.334%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-152.9157-177.831.80000109.4V232 D233S24-V232 CarbonylContact O-C 3.55Å; S24-V232 WeakPolarHBondContact O-CA 3.46Å; S24-V232 WeakPolarHBondContact O-CG1 3.3Å; S24-D233 PolarHBondContact O-N 2.83Å; S24-D233 WeakPolarHBondContact OG-CB 3.26Å; S24-D233 PolarHBondContact OG-OD2 2.91Å
25G73.2Confident69.9Low27 Ų2768.9 Ų68.928%0.27838%0.378SS..EExtended strand (participates in β ladder)trans-169145169.600000110.4E231G25-E231 WeakPolarHBondContact CA-O 3.12Å
26V65.3Low67.9Low101 Ų10172.2 Ų72.261%0.61240%0.402SS*.  trans-97.9101.2175.1-1770000107.5E231V26-E231 PolarHBondContact N-O 2.82Å
27Y62.5Low65.9Low69 Ų6973.6 Ų73.627%0.27142%0.422SS..  trans-93116.6170.2-52.3-81.1000107.6Q29 F42 V232Y27-Q29 PolarHBondContact O-N 2.78Å; Y27-Q29 VanDerWaalsContact O-N 3.1Å; Y27-F42 WeakPolarHBondContact CE2-O 3.41Å; Y27-F42 VanDerWaalsContact OH-CB 3.29Å; Y27-F42 WeakPolarHBondContact OH-CB 3.47Å; Y27-F42 PolarHBondContact OH-O 3.03Å; Y27-V232 HydrophobicContact CE1-CG2 4.29Å; Y27-V232 WeakPolarHBondContact OH-CG2 2.93Å
28F47.5Very low64Low164 Ų16472.9 Ų72.972%0.71942%0.419SS*.  trans-59.4120.9167.4-103-90.6000108G30 S31F28-G30 PolarHBondContact O-N 3.37Å; F28-G30 VanDerWaalsContact O-N 3.09Å; F28-S31 WeakPolarHBondContact CB-OG 3.29Å; F28-S31 VanDerWaalsContact O-CB 3.3Å; F28-S31 WeakPolarHBondContact O-CB 3.39Å; F28-S31 PolarHBondContact O-N 2.85Å; F28-S31 PolarHBondContact O-OG 3.02Å
29Q36.6Very low62.5Low201 Ų20176.4 Ų76.494%0.93944%0.436SS*.THydrogen-bonded Turntrans-60.1113.2-178.3-160.1175.97.700109.3Y27Y27-Q29 PolarHBondContact O-N 2.78Å; Y27-Q29 VanDerWaalsContact O-N 3.1Å
30G41.8Very low61.2Low79 Ų7976.1 Ų76.181%0.81444%0.435SS*.THydrogen-bonded Turntrans105.8-5.9-172.200000115.2F28 I32F28-G30 PolarHBondContact O-N 3.37Å; F28-G30 VanDerWaalsContact O-N 3.09Å; G30-I32 VanDerWaalsContact C-N 3.31Å; G30-I32 PolarHBondContact O-N 2.82Å; G30-I32 VanDerWaalsContact O-N 3.09Å
31S42.9Very low60.1Low49 Ų4979.2 Ų79.234%0.34346%0.456SS..  trans-83.878.9171.3-33.30000109F28 Y33F28-S31 WeakPolarHBondContact CB-OG 3.29Å; F28-S31 VanDerWaalsContact O-CB 3.3Å; F28-S31 WeakPolarHBondContact O-CB 3.39Å; F28-S31 PolarHBondContact O-N 2.85Å; F28-S31 PolarHBondContact O-OG 3.02Å; S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 2.78Å; S31-Y33 VanDerWaalsContact O-N 3.11Å
32I46.7Very low59.5Low102 Ų10275.7 Ų75.752%0.52344%0.44SS..  trans-67.6103.4154.4-66.8163.1000104.3G30 E34 E39G30-I32 VanDerWaalsContact C-N 3.31Å; G30-I32 PolarHBondContact O-N 2.82Å; G30-I32 VanDerWaalsContact O-N 3.09Å; I32-E34 PolarHBondContact O-N 2.86Å; I32-E39 HydrophobicContact CG2-CB 3.82Å; I32-E39 HydrophobicContact CG2-CG 3.36Å
33Y51.3Low59Low102 Ų10278.9 Ų78.940%0.446%0.462SS..EExtended strand (participates in β ladder)trans-68.191.1165.4-74.8-80.7000106.2S31 I35 S38 V40 L230S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 2.78Å; S31-Y33 VanDerWaalsContact O-N 3.11Å; Y33-I35 HydrophobicContact CG-CD1 4.48Å; Y33-I35 PolarHBondContact O-N 2.94Å; Y33-S38 VanDerWaalsContact O-O 3.1Å; Y33-V40 PolarHBondContact O-N 2.91Å; Y33-L230 HydrophobicContact CD1-CD2 4.48Å; Y33-L230 HydrophobicContact CD2-CD2 4.01Å; Y33-L230 HydrophobicContact CE1-CD2 4.31Å; Y33-L230 HydrophobicContact CE2-CD2 3.82Å; Y33-L230 HydrophobicContact CG-CD2 4.34Å
34E48.8Very low58.8Low147 Ų14781.8 Ų81.869%0.68748%0.478SS*.EExtended strand (participates in β ladder)trans-74.181.4167.9-168.8179.9-169.100107.2I32 S36I32-E34 PolarHBondContact O-N 2.86Å; E34-S36 PolarHBondContact O-N 3.08Å
35I52.6Low58.7Low29 Ų2981 Ų8115%0.14948%0.479CS..EExtended strand (participates in β ladder)trans-90.8106.5177.4-62.3157000106.1Y33 G37 S38 R225 F226 P227Y33-I35 HydrophobicContact CG-CD1 4.48Å; Y33-I35 PolarHBondContact O-N 2.94Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 2.78Å; I35-S38 PolarHBondContact N-O 3.11Å; I35-S38 PolarHBondContact O-N 3.2Å; I35-S38 VanDerWaalsContact O-N 3.16Å; I35-R225 WeakPolarHBondContact CG2-O 3.29Å; I35-F226 HydrophobicContact CD1-CB 4.08Å; I35-P227 HydrophobicContact CD1-CG 4.48Å
36S45.2Very low59.3Low118 Ų11881.9 Ų81.983%0.82548%0.476SS*.THydrogen-bonded Turntrans55.837.3-179.9-52.80000113.7E34E34-S36 PolarHBondContact O-N 3.08Å
37G48Very low60.4Low55 Ų5578.5 Ų78.557%0.56746%0.455SS*.THydrogen-bonded Turntrans80.910.2178.300000115.4I35I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 2.78Å
38S50.8Low61.7Low54 Ų5475.3 Ų75.338%0.37844%0.443SS..EExtended strand (participates in β ladder)trans-117.4122.9174.8-680000111.3Y33 I35 V40Y33-S38 VanDerWaalsContact O-O 3.1Å; I35-S38 PolarHBondContact N-O 3.11Å; I35-S38 PolarHBondContact O-N 3.2Å; I35-S38 VanDerWaalsContact O-N 3.16Å; S38-V40 PolarHBondContact O-N 2.72Å
39E59.6Low63.7Low121 Ų12170 Ų7057%0.56542%0.419SS*.EExtended strand (participates in β ladder)trans-73.6112.2174.2-51.9-168.315900110.5I32 R220I32-E39 HydrophobicContact CG2-CB 3.82Å; I32-E39 HydrophobicContact CG2-CG 3.36Å; E39-R220 PolarHBondContact O-NH1 2.83Å
40V63.9Low66.3Low7 Ų760.4 Ų60.44%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-104.9116.2175.5-173.60000109.5Y33 S38 F42 L224 F226Y33-V40 PolarHBondContact O-N 2.91Å; S38-V40 PolarHBondContact O-N 2.72Å; V40-F42 HydrophobicContact CG1-CD1 4.31Å; V40-F42 HydrophobicContact CG1-CE1 3.57Å; V40-F42 HydrophobicContact CG1-CE2 3.81Å; V40-F42 HydrophobicContact CG1-CZ 3.28Å; V40-L224 HydrophobicContact CG2-CD2 4.37Å; V40-F226 HydrophobicContact CG1-CB 4.38Å; V40-F226 HydrophobicContact CG1-CD1 4.29Å
41C69.7Low68.6Low66 Ų6659.8 Ų59.845%0.44635%0.352SS..  trans-134129.5173.4178.70000107.4
42F79.5Confident70.9Confident3 Ų358 Ų581%0.01334%0.341CS..  trans-111.1136.9174.2-41.4-71.2000110.7V22 Y27 V40 D46 I48 M217 F226 L230 V232V22-F42 HydrophobicContact CG1-CB 4.35Å; V22-F42 HydrophobicContact CG2-CB 3.98Å; V22-F42 HydrophobicContact CG2-CG 4.42Å; Y27-F42 WeakPolarHBondContact CE2-O 3.41Å; Y27-F42 VanDerWaalsContact OH-CB 3.29Å; Y27-F42 WeakPolarHBondContact OH-CB 3.47Å; Y27-F42 PolarHBondContact OH-O 3.03Å; V40-F42 HydrophobicContact CG1-CD1 4.31Å; V40-F42 HydrophobicContact CG1-CE1 3.57Å; V40-F42 HydrophobicContact CG1-CE2 3.81Å; V40-F42 HydrophobicContact CG1-CZ 3.28Å; F42-D46 WeakPolarHBondContact CA-OD2 3.32Å; F42-I48 HydrophobicContact CD1-CD1 3.56Å; F42-I48 HydrophobicContact CD1-CG1 4.24Å; F42-I48 HydrophobicContact CD2-CD1 4.4Å; F42-I48 HydrophobicContact CE1-CD1 3.51Å; F42-I48 HydrophobicContact CE1-CG1 4.19Å; F42-I48 HydrophobicContact CE2-CD1 4.34Å; F42-I48 HydrophobicContact CG-CD1 4.01Å; F42-I48 HydrophobicContact CZ-CD1 3.91Å; F42-M217 HydrophobicContact CD1-CE 3.86Å; F42-M217 HydrophobicContact CD1-SD 4.08Å; F42-M217 HydrophobicContact CE1-CE 4.42Å; F42-M217 HydrophobicContact CE1-SD 4.06Å; F42-F226 HydrophobicContact CE1-CE1 4.19Å; F42-F226 HydrophobicContact CE1-CZ 4.49Å; F42-F226 HydrophobicContact CE2-CD2 4.28Å; F42-F226 HydrophobicContact CE2-CE2 4.3Å; F42-F226 HydrophobicContact CE2-CG 4.42Å; F42-F226 HydrophobicContact CE2-CZ 4.48Å; F42-F226 AromaticContact CZ-CD1 3.7Å; F42-F226 HydrophobicContact CZ-CD1 3.7Å; F42-F226 HydrophobicContact CZ-CD2 4.06Å; F42-F226 AromaticContact CZ-CE1 3.59Å; F42-F226 HydrophobicContact CZ-CE1 3.59Å; F42-F226 AromaticContact CZ-CE2 3.96Å; F42-F226 HydrophobicContact CZ-CE2 3.96Å; F42-F226 AromaticContact CZ-CG 3.92Å; F42-F226 HydrophobicContact CZ-CG 3.92Å; F42-F226 AromaticContact CZ-CZ 3.73Å; F42-F226 HydrophobicContact CZ-CZ 3.73Å; F42-L230 HydrophobicContact CE2-CD1 3.73Å; F42-V232 HydrophobicContact CD2-CG2 4.22Å
43S79.2Confident73.1Confident68 Ų6853.8 Ų53.848%0.47632%0.319SS..  trans-99.3152.2172-620000110.1G45 D46S43-G45 PolarHBondContact O-N 3.46Å; S43-D46 PolarHBondContact N-OD2 2.9Å; S43-D46 VanDerWaalsContact O-CB 3.26Å; S43-D46 WeakPolarHBondContact O-CB 3.36Å; S43-D46 PolarHBondContact O-N 2.88Å
44T84.9Confident75.1Confident106 Ų10654.6 Ų54.665%0.6533%0.327SS*.THydrogen-bonded Turntrans-54.5127.9168.6-66.40000109.8C23C23-T44 WeakPolarHBondContact O-CG2 3.35Å; C23-T44 PolarHBondContact O-OG1 2.91Å; C23-T44 VanDerWaalsContact O-OG1 3.09Å
45G83Confident77.1Confident34 Ų3449.9 Ų49.935%0.35131%0.306SS..THydrogen-bonded Turntrans97.2-11-175.800000114.5V22 S43V22-G45 PolarHBondContact O-N 2.83Å; S43-G45 PolarHBondContact O-N 3.46Å
46D85.8Confident78.9Confident44 Ų4452.7 Ų52.724%0.23532%0.319CS..  trans-60.9138.5178.1-80.7-9.9000111.6Q21 V22 F42 S43 M217Q21-D46 WeakPolarHBondContact CA-O 3.26Å; V22-D46 HydrophobicContact CB-CB 4.38Å; V22-D46 HydrophobicContact CG2-CB 4.27Å; V22-D46 PolarHBondContact N-O 3.3Å; F42-D46 WeakPolarHBondContact CA-OD2 3.32Å; S43-D46 PolarHBondContact N-OD2 2.9Å; S43-D46 VanDerWaalsContact O-CB 3.26Å; S43-D46 WeakPolarHBondContact O-CB 3.36Å; S43-D46 PolarHBondContact O-N 2.88Å; D46-M217 HydrophobicContact CB-CE 4.13Å; D46-M217 VanDerWaalsContact OD2-CE 3.25Å; D46-M217 WeakPolarHBondContact OD2-CE 3.35Å
47L88.2Confident81.2Confident30 Ų3047.5 Ų47.516%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-101.9125.3175.5-64.7178.9000110.4I19 L20 Q21 M217 N218 V237 A244 F246I19-L47 HydrophobicContact CG2-CD2 4.49Å; L20-L47 CarbonylContact O-C 3.56Å; L20-L47 WeakPolarHBondContact O-CA 3.45Å; Q21-L47 HydrophobicContact CB-CD2 3.89Å; Q21-L47 HydrophobicContact CG-CD2 4.07Å; L47-M217 WeakPolarHBondContact O-CA 3.08Å; L47-N218 HydrophobicContact CB-CB 4.05Å; L47-N218 PolarHBondContact O-N 3.11Å; L47-V237 HydrophobicContact CD2-CG2 3.89Å; L47-A244 HydrophobicContact CD1-CB 4.31Å; L47-F246 HydrophobicContact CB-CE1 4.27Å; L47-F246 HydrophobicContact CB-CZ 3.96Å
48I89.1Confident83.3Confident3 Ų344.9 Ų44.92%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-122.6116.7-176.6-56.6172.3000108.3I19 L20 V22 F42 V50 A215 M217 F226I19-I48 WeakPolarHBondContact CA-O 3.47Å; L20-I48 PolarHBondContact N-O 3.16Å; L20-I48 PolarHBondContact O-N 3.31Å; V22-I48 HydrophobicContact CG2-CD1 3.53Å; V22-I48 HydrophobicContact CG2-CG1 4.3Å; F42-I48 HydrophobicContact CD1-CD1 3.56Å; F42-I48 HydrophobicContact CD1-CG1 4.24Å; F42-I48 HydrophobicContact CD2-CD1 4.4Å; F42-I48 HydrophobicContact CE1-CD1 3.51Å; F42-I48 HydrophobicContact CE1-CG1 4.19Å; F42-I48 HydrophobicContact CE2-CD1 4.34Å; F42-I48 HydrophobicContact CG-CD1 4.01Å; F42-I48 HydrophobicContact CZ-CD1 3.91Å; I48-V50 HydrophobicContact CG2-CG2 4.48Å; I48-A215 HydrophobicContact CG2-CB 3.41Å; I48-A215 VanDerWaalsContact CG2-CB 3.41Å; I48-M217 HydrophobicContact CG1-CG 4.49Å; I48-F226 HydrophobicContact CG2-CE1 4.45Å; I48-F226 HydrophobicContact CG2-CZ 4.06Å
49K90.3Very high85.2Confident51 Ų5143 Ų4322%0.22224%0.242CC..EExtended strand (participates in β ladder)trans-92.7103.1172.6-177178.7-179.5179.50109.7P17 K18 I19 I51 A215 I216 F246P17-K49 HydrophobicContact CB-CG 4.16Å; K18-K49 CarbonylContact O-C 3.59Å; K18-K49 WeakPolarHBondContact O-CA 3.3Å; I19-K49 HydrophobicContact CG1-CB 4.4Å; I19-K49 HydrophobicContact CG1-CG 4.26Å; K49-I51 HydrophobicContact CG-CG2 4.18Å; K49-I51 PolarHBondContact O-N 3.45Å; K49-A215 CarbonylContact O-C 3.58Å; K49-A215 WeakPolarHBondContact O-CA 3.36Å; K49-A215 WeakPolarHBondContact O-CB 3.16Å; K49-I216 HydrophobicContact CB-CB 4.49Å; K49-I216 PolarHBondContact N-O 3.45Å; K49-I216 PolarHBondContact O-N 2.98Å; K49-F246 HydrophobicContact CB-CD1 3.54Å; K49-F246 HydrophobicContact CB-CD2 4.16Å; K49-F246 HydrophobicContact CB-CE1 3.57Å; K49-F246 HydrophobicContact CB-CE2 4.17Å; K49-F246 HydrophobicContact CB-CG 3.85Å; K49-F246 HydrophobicContact CB-CZ 3.91Å; K49-F246 HydrophobicContact CD-CB 4.02Å; K49-F246 HydrophobicContact CD-CD1 4.36Å; K49-F246 HydrophobicContact CD-CD2 3.89Å; K49-F246 HydrophobicContact CD-CE2 4.49Å; K49-F246 HydrophobicContact CD-CG 3.81Å; K49-F246 HydrophobicContact CG-CG 4.49Å
50V90.9Very high86.7Confident1 Ų137.2 Ų37.21%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-71.7124.1173.5-177.80000109I8 L16 P17 K18 L20 I48 I53 V213 A215I8-V50 HydrophobicContact CD1-CG1 4.34Å; I8-V50 HydrophobicContact CD1-CG2 4.14Å; L16-V50 HydrophobicContact CD1-CG1 4.25Å; L16-V50 HydrophobicContact CD2-CB 4.26Å; L16-V50 HydrophobicContact CD2-CG1 3.79Å; P17-V50 CarbonylContact C-O 3.57Å; P17-V50 WeakPolarHBondContact CA-O 3.36Å; P17-V50 WeakPolarHBondContact CB-O 3.24Å; K18-V50 PolarHBondContact N-O 3.48Å; K18-V50 PolarHBondContact O-N 2.98Å; L20-V50 HydrophobicContact CD1-CG2 3.65Å; L20-V50 HydrophobicContact CG-CG2 4.11Å; I48-V50 HydrophobicContact CG2-CG2 4.48Å; V50-I53 HydrophobicContact CG1-CG2 3.91Å; V50-V213 HydrophobicContact CG1-CG1 3.88Å; V50-V213 HydrophobicContact CG2-CG1 4.01Å; V50-A215 HydrophobicContact CG2-CB 4.46Å
51I90.1Very high87.9Confident66 Ų6639.5 Ų39.534%0.33823%0.225SC..EExtended strand (participates in β ladder)trans-116.5-17.1-177.158.5167.1000113.1P17 K49 Q214 I216 V223P17-I51 HydrophobicContact CB-CG2 4.4Å; K49-I51 HydrophobicContact CG-CG2 4.18Å; K49-I51 PolarHBondContact O-N 3.45Å; I51-Q214 HydrophobicContact CG1-CB 4.16Å; I51-Q214 VanDerWaalsContact CG1-O 3.25Å; I51-Q214 WeakPolarHBondContact CG1-O 3.37Å; I51-Q214 PolarHBondContact N-O 3.13Å; I51-I216 HydrophobicContact CD1-CD1 4.19Å; I51-I216 HydrophobicContact CD1-CG1 4.19Å; I51-I216 HydrophobicContact CG2-CD1 4.03Å; I51-I216 HydrophobicContact CG2-CG1 4.44Å; I51-V223 HydrophobicContact CD1-CG1 3.97Å; I51-V223 HydrophobicContact CD1-CG2 4.22Å
52G91.5Very high88.8Confident11 Ų1136.4 Ų36.411%0.11320%0.204CC..EExtended strand (participates in β ladder)trans-163.1151176.100000111.7L16 Q214L16-G52 VanDerWaalsContact CD1-CA 3.49Å; G52-Q214 PolarHBondContact N-O 3.38Å; G52-Q214 PolarHBondContact O-N 2.99Å
53I93Very high89.1Confident13 Ų1339 Ų397%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-133.7138.5173.359.9173.9000110.2I8 L11 N13 L16 V50 Y211I8-I53 HydrophobicContact CD1-CG2 4.43Å; I8-I53 HydrophobicContact CG2-CB 4.45Å; I8-I53 HydrophobicContact CG2-CD1 4.39Å; I8-I53 HydrophobicContact CG2-CG2 3.87Å; L11-I53 HydrophobicContact CB-CD1 4.12Å; N13-I53 PolarHBondContact ND2-O 3.06Å; N13-I53 VanDerWaalsContact OD1-CG1 3.24Å; N13-I53 WeakPolarHBondContact OD1-CG1 3.21Å; N13-I53 PolarHBondContact OD1-N 3.21Å; N13-I53 VanDerWaalsContact OD1-N 3.12Å; N13-I53 PolarHBondContact OD1-O 2.8Å; L16-I53 HydrophobicContact CD1-CG1 4.26Å; L16-I53 HydrophobicContact CD1-CG2 4.35Å; V50-I53 HydrophobicContact CG1-CG2 3.91Å; I53-Y211 HydrophobicContact CB-CD1 4.29Å; I53-Y211 HydrophobicContact CD1-CD1 4.49Å
54E92.4Very high89.2Confident120 Ų12040.7 Ų40.756%0.56123%0.228SC*.EExtended strand (participates in β ladder)trans-134.8131.4179.7-175.8177.7-177.900109.7Q56 Y211 Q212E54-Q56 PolarHBondContact O-N 2.9Å; E54-Y211 CarbonylContact O-C 3.54Å; E54-Y211 VanDerWaalsContact O-CA 3.24Å; E54-Y211 WeakPolarHBondContact O-CA 3.12Å; E54-Q212 PolarHBondContact N-O 3.39Å; E54-Q212 PolarHBondContact O-N 3.1Å
55L91.3Very high89Confident48 Ų4839.4 Ų39.425%0.25122%0.217SC..EExtended strand (participates in β ladder)trans-67.3118.4-179.2-177.668.6000109.7V73 M183 P209 Y211L55-V73 HydrophobicContact CD2-CG1 3.92Å; L55-V73 HydrophobicContact CD2-CG2 4.01Å; L55-V73 HydrophobicContact CG-CG2 3.84Å; L55-M183 HydrophobicContact CD2-CB 4.01Å; L55-M183 HydrophobicContact CD2-CG 4.01Å; L55-P209 HydrophobicContact CD1-CB 3.59Å; L55-Y211 HydrophobicContact CB-CD1 4.21Å; L55-Y211 HydrophobicContact CB-CE1 4.05Å; L55-Y211 HydrophobicContact CD1-CD1 4.41Å; L55-Y211 HydrophobicContact CD1-CE1 4.13Å
56Q90.8Very high89Confident88 Ų8843.2 Ų43.241%0.41123%0.229SC..EExtended strand (participates in β ladder)trans-99.7-46.9-175.5-178.6175.627.300112.2E54 V73 V210 Q212E54-Q56 PolarHBondContact O-N 2.9Å; Q56-V73 WeakPolarHBondContact O-CG2 3.28Å; Q56-V210 WeakPolarHBondContact CB-O 3.45Å; Q56-V210 PolarHBondContact N-O 2.98Å; Q56-Q212 HydrophobicContact CB-CB 4.19Å
57S92.9Very high89Confident9 Ų945.3 Ų45.36%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-156.3176.5-18061.80000110.1E70 L71 V210S57-E70 WeakPolarHBondContact CB-OE2 3.35Å; S57-E70 PolarHBondContact OG-OE2 3Å; S57-L71 WeakPolarHBondContact CB-O 3.27Å; S57-V210 PolarHBondContact N-O 2.66Å; S57-V210 VanDerWaalsContact N-O 3.16Å; S57-V210 PolarHBondContact O-N 3.39Å; S57-V210 WeakPolarHBondContact OG-CB 3.34Å
58V92.5Very high88.9Confident0 Ų050.2 Ų50.20%026%0.258CS..EExtended strand (participates in β ladder)trans-123.1121.4173.4174.30000108.9E70 L71 L179 M183 L207 S208V58-E70 WeakPolarHBondContact O-CA 3.48Å; V58-L71 PolarHBondContact N-O 2.99Å; V58-L71 PolarHBondContact O-N 3.03Å; V58-L179 HydrophobicContact CB-CD1 4Å; V58-L179 HydrophobicContact CB-CD2 3.93Å; V58-L179 HydrophobicContact CB-CG 4.22Å; V58-L179 HydrophobicContact CG1-CD1 4.04Å; V58-L179 HydrophobicContact CG1-CG 4.48Å; V58-L179 HydrophobicContact CG2-CD1 4.19Å; V58-L179 HydrophobicContact CG2-CD2 3.4Å; V58-L179 HydrophobicContact CG2-CG 3.84Å; V58-M183 HydrophobicContact CB-CE 4.44Å; V58-M183 HydrophobicContact CG1-CE 3.63Å; V58-M183 HydrophobicContact CG1-SD 4.34Å; V58-M183 HydrophobicContact CG2-CE 3.87Å; V58-M183 HydrophobicContact CG2-CG 3.65Å; V58-M183 HydrophobicContact CG2-SD 3.64Å; V58-L207 HydrophobicContact CG1-CB 4Å; V58-L207 HydrophobicContact CG1-CD2 4.33Å; V58-S208 CarbonylContact C-O 3.55Å; V58-S208 WeakPolarHBondContact CA-O 3.13Å
59S91.1Very high88.9Confident13 Ų1353.5 Ų53.59%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-77.6126.9172.2170.90000109.4L207 S208S59-L207 WeakPolarHBondContact O-CA 3.42Å; S59-S208 WeakPolarHBondContact CB-OG 3.47Å; S59-S208 PolarHBondContact N-O 3.36Å; S59-S208 PolarHBondContact O-N 3.3Å; S59-S208 PolarHBondContact O-OG 3.07Å
60C90.4Very high88.9Confident0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans-110.8118.1178.8-56.10000108.5K68 F69 L71 L207C60-K68 WeakPolarHBondContact O-CA 3.25Å; C60-F69 HydrophobicContact CB-CD1 4.16Å; C60-F69 HydrophobicContact CB-CD2 3.92Å; C60-F69 HydrophobicContact CB-CE1 3.76Å; C60-F69 HydrophobicContact CB-CE2 3.5Å; C60-F69 HydrophobicContact CB-CG 4.24Å; C60-F69 HydrophobicContact CB-CZ 3.41Å; C60-F69 VanDerWaalsContact CB-CZ 3.41Å; C60-F69 WeakPolarHBondContact CB-O 3.45Å; C60-F69 PolarHBondContact N-O 2.82Å; C60-F69 PolarHBondContact O-N 2.88Å; C60-L71 WeakPolarHBondContact SG-CD1 3.25Å; C60-L207 HydrophobicContact CB-CD2 3.96Å; C60-L207 WeakPolarHBondContact SG-CD2 3.39Å
61E90.1Very high88.8Confident55 Ų5557.4 Ų57.426%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-109120.9176.3-179.3167.7-170.800109.9V63 K68 L205 V206E61-V63 PolarHBondContact O-N 3.45Å; E61-K68 HydrophobicContact CB-CG 4.19Å; E61-K68 HydrophobicContact CG-CG 4.12Å; E61-K68 WeakPolarHBondContact OE1-CE 3.22Å; E61-K68 IonicContact OE1-NZ 4Å; E61-K68 WeakPolarHBondContact OE2-CE 3.46Å; E61-K68 IonicContact OE2-NZ 3.42Å; E61-K68 PolarHBondContact OE2-NZ 2.95Å; E61-L205 CarbonylContact O-C 3.58Å; E61-L205 VanDerWaalsContact O-CA 3.3Å; E61-L205 WeakPolarHBondContact O-CA 3.4Å; E61-V206 PolarHBondContact N-O 3.02Å; E61-V206 PolarHBondContact O-N 3.27Å
62D87.9Confident88.9Confident1 Ų157.6 Ų57.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-79.9116.5174.5-178.4-19000110.3T64 N65 N66 E67 R203 L205D62-T64 PolarHBondContact O-N 3.24Å; D62-T64 WeakPolarHBondContact OD1-CB 3.21Å; D62-T64 PolarHBondContact OD1-N 3.4Å; D62-T64 PolarHBondContact OD1-OG1 3.26Å; D62-N65 WeakPolarHBondContact CB-OD1 3.37Å; D62-N65 PolarHBondContact O-N 2.76Å; D62-N65 PolarHBondContact OD2-OD1 2.7Å; D62-N66 WeakPolarHBondContact O-CA 3.42Å; D62-N66 PolarHBondContact O-N 3.42Å; D62-E67 PolarHBondContact N-O 2.82Å; D62-R203 WeakPolarHBondContact OD2-CB 3.39Å; D62-R203 WeakPolarHBondContact OD2-CD 3.27Å; D62-R203 WeakPolarHBondContact OD2-CG 3.33Å; D62-R203 IonicContact OD2-CZ 3.61Å; D62-R203 IonicContact OD2-NE 3.75Å; D62-R203 IonicContact OD2-NH1 3.76Å; D62-L205 HydrophobicContact CB-CD2 3.97Å
63V85.1Confident88.7Confident57 Ų5759.5 Ų59.535%0.34531%0.307SS..THydrogen-bonded Turntrans-63-23.1-176.3179.60000112.3E61 I204 V206E61-V63 PolarHBondContact O-N 3.45Å; V63-I204 HydrophobicContact CB-CB 4.33Å; V63-I204 HydrophobicContact CB-CG2 4.38Å; V63-I204 HydrophobicContact CG2-CB 4.41Å; V63-I204 HydrophobicContact CG2-CG2 4.02Å; V63-I204 WeakPolarHBondContact CG2-O 3.42Å; V63-I204 PolarHBondContact N-O 3.29Å; V63-V206 HydrophobicContact CG2-CG2 3.75Å
64T81.6Confident88.4Confident104 Ų10464.7 Ų64.764%0.63834%0.339SS*.THydrogen-bonded Turntrans-84.1-33.7-174.462.70000113.5D62D62-T64 PolarHBondContact O-N 3.24Å; D62-T64 WeakPolarHBondContact OD1-CB 3.21Å; D62-T64 PolarHBondContact OD1-N 3.4Å; D62-T64 PolarHBondContact OD1-OG1 3.26Å
65N82.1Confident88.2Confident80 Ų8061.5 Ų61.543%0.42832%0.324SS..THydrogen-bonded Turntrans-1281-17468-2.3000113.7D62 E67D62-N65 WeakPolarHBondContact CB-OD1 3.37Å; D62-N65 PolarHBondContact O-N 2.76Å; D62-N65 PolarHBondContact OD2-OD1 2.7Å; N65-E67 PolarHBondContact ND2-OE2 2.71Å; N65-E67 PolarHBondContact O-N 2.96Å; N65-E67 WeakPolarHBondContact OD1-CB 3.29Å; N65-E67 PolarHBondContact OD1-N 3.35Å
66N81.6Confident88Confident113 Ų11364.9 Ų64.960%0.60435%0.347SS*.  trans54.126.7-174.4-63.7-16.2000113.6D62D62-N66 WeakPolarHBondContact O-CA 3.42Å; D62-N66 PolarHBondContact O-N 3.42Å
67E85.9Confident87.8Confident89 Ų8960.9 Ų60.942%0.41633%0.329SS..  trans-75.5128.6174.1-171.8179.6-165.400109.3D62 N65 R203D62-E67 PolarHBondContact N-O 2.82Å; N65-E67 PolarHBondContact ND2-OE2 2.71Å; N65-E67 PolarHBondContact O-N 2.96Å; N65-E67 WeakPolarHBondContact OD1-CB 3.29Å; N65-E67 PolarHBondContact OD1-N 3.35Å; E67-R203 IonicContact OE2-CZ 2.91Å; E67-R203 IonicContact OE2-NH1 2.8Å; E67-R203 PolarHBondContact OE2-NH1 3.27Å; E67-R203 IonicContact OE2-NH2 2.98Å
68K86.4Confident87.6Confident133 Ų13363.7 Ų63.758%0.57834%0.343SS*.EExtended strand (participates in β ladder)trans-108.9133.4178-66.5-174.1176.8-171.40110.7C60 E61C60-K68 WeakPolarHBondContact O-CA 3.25Å; E61-K68 HydrophobicContact CB-CG 4.19Å; E61-K68 HydrophobicContact CG-CG 4.12Å; E61-K68 WeakPolarHBondContact OE1-CE 3.22Å; E61-K68 IonicContact OE1-NZ 4Å; E61-K68 WeakPolarHBondContact OE2-CE 3.46Å; E61-K68 IonicContact OE2-NZ 3.42Å; E61-K68 PolarHBondContact OE2-NZ 2.95Å
69F88.5Confident87.4Confident71 Ų7163.7 Ų63.731%0.31134%0.343SS..EExtended strand (participates in β ladder)trans-144.4159.1172.763-85.3000110.1C60 L71 L205C60-F69 HydrophobicContact CB-CD1 4.16Å; C60-F69 HydrophobicContact CB-CD2 3.92Å; C60-F69 HydrophobicContact CB-CE1 3.76Å; C60-F69 HydrophobicContact CB-CE2 3.5Å; C60-F69 HydrophobicContact CB-CG 4.24Å; C60-F69 HydrophobicContact CB-CZ 3.41Å; C60-F69 VanDerWaalsContact CB-CZ 3.41Å; C60-F69 WeakPolarHBondContact CB-O 3.45Å; C60-F69 PolarHBondContact N-O 2.82Å; C60-F69 PolarHBondContact O-N 2.88Å; F69-L71 HydrophobicContact CD2-CD2 4.33Å; F69-L71 HydrophobicContact CD2-CG 4.35Å; F69-L71 HydrophobicContact CE2-CD1 4.34Å; F69-L71 HydrophobicContact CE2-CD2 4.08Å; F69-L71 HydrophobicContact CE2-CG 4.02Å; F69-L205 HydrophobicContact CE1-CD2 4Å; F69-L205 HydrophobicContact CZ-CD1 4.1Å; F69-L205 HydrophobicContact CZ-CD2 4.08Å
70E90.1Very high87.2Confident108 Ų10865.2 Ų65.251%0.50535%0.348SS..EExtended strand (participates in β ladder)trans-108142.3-179.8-69.7-169.6-167.400112.3S57 V58S57-E70 WeakPolarHBondContact CB-OE2 3.35Å; S57-E70 PolarHBondContact OG-OE2 3Å; V58-E70 WeakPolarHBondContact O-CA 3.48Å
71L90.3Very high87Confident26 Ų2666 Ų6614%0.13635%0.353CS..EExtended strand (participates in β ladder)trans-111.7139.8170.8-66.8179.3000110.6S57 V58 C60 F69 F79 L179S57-L71 WeakPolarHBondContact CB-O 3.27Å; V58-L71 PolarHBondContact N-O 2.99Å; V58-L71 PolarHBondContact O-N 3.03Å; C60-L71 WeakPolarHBondContact SG-CD1 3.25Å; F69-L71 HydrophobicContact CD2-CD2 4.33Å; F69-L71 HydrophobicContact CD2-CG 4.35Å; F69-L71 HydrophobicContact CE2-CD1 4.34Å; F69-L71 HydrophobicContact CE2-CD2 4.08Å; F69-L71 HydrophobicContact CE2-CG 4.02Å; L71-F79 HydrophobicContact CD1-CE1 4.42Å; L71-F79 HydrophobicContact CD1-CZ 3.77Å; L71-L179 HydrophobicContact CB-CD1 4.31Å; L71-L179 HydrophobicContact CD1-CD1 4.09Å
72P91.6Very high86.8Confident70 Ų7064.2 Ų64.246%0.45535%0.345SS..EExtended strand (participates in β ladder)trans-69.5151.4174.129.8-34.5000110.9T74 H75P72-T74 PolarHBondContact O-N 2.85Å; P72-T74 VanDerWaalsContact O-N 3.12Å; P72-H75 HydrophobicContact CG-CB 4.37Å; P72-H75 WeakPolarHBondContact O-CB 3.47Å; P72-H75 PolarHBondContact O-N 2.86Å
73V87.1Confident86.6Confident52 Ų5265.6 Ų65.632%0.31535%0.354SS..THydrogen-bonded Turntrans-60-26.9179-173.10000112.4L55 Q56 H75L55-V73 HydrophobicContact CD2-CG1 3.92Å; L55-V73 HydrophobicContact CD2-CG2 4.01Å; L55-V73 HydrophobicContact CG-CG2 3.84Å; Q56-V73 WeakPolarHBondContact O-CG2 3.28Å; V73-H75 PolarHBondContact O-N 3.01Å
74T87.8Confident86.4Confident122 Ų12265.5 Ų65.575%0.74835%0.35SS*.THydrogen-bonded Turntrans-81.17.9177.659.50000113.7P72 T76P72-T74 PolarHBondContact O-N 2.85Å; P72-T74 VanDerWaalsContact O-N 3.12Å; T74-T76 PolarHBondContact O-N 2.76Å
75H88Confident86.3Confident52 Ų5268.1 Ų68.124%0.24136%0.355CS..  trans-63.1128.3179.4-173.576.5000111.5P72 V73 G77 F195P72-H75 HydrophobicContact CG-CB 4.37Å; P72-H75 WeakPolarHBondContact O-CB 3.47Å; P72-H75 PolarHBondContact O-N 2.86Å; V73-H75 PolarHBondContact O-N 3.01Å; H75-G77 PolarHBondContact CD2-N 2.81Å; H75-G77 VanDerWaalsContact NE2-CA 3.34Å; H75-G77 WeakPolarHBondContact NE2-CA 3.42Å; H75-G77 PolarHBondContact NE2-N 2.55Å; H75-F195 AromaticContact NE2-CE2 3.57Å
76T86.8Confident86.3Confident120 Ų12071.5 Ų71.574%0.73637%0.37SS*.  trans-987.9-175.557.40000113.8T74T74-T76 PolarHBondContact O-N 2.76Å
77G86.7Confident86.6Confident3 Ų368.7 Ų68.73%0.03136%0.358CS..  trans-67.8151.217500000112.7H75H75-G77 PolarHBondContact CD2-N 2.81Å; H75-G77 VanDerWaalsContact NE2-CA 3.34Å; H75-G77 WeakPolarHBondContact NE2-CA 3.42Å; H75-G77 PolarHBondContact NE2-N 2.55Å
78L88.5Confident86.6Confident68 Ų6865 Ų6536%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-106.6141.9178-66.2175.2000110T178 V196L78-T178 HydrophobicContact CD2-CG2 3.92Å; L78-V196 HydrophobicContact CB-CB 4.24Å; L78-V196 HydrophobicContact CB-CG2 4.09Å; L78-V196 WeakPolarHBondContact O-CG2 3.48Å; L78-V196 PolarHBondContact O-N 2.48Å
79F88Confident86.7Confident1 Ų162.5 Ų62.50%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-125.1130.4-174.5-63.6-89.4000109.9L71 S176 Y177 L179 I182 F193 R194 F195 L205 L207L71-F79 HydrophobicContact CD1-CE1 4.42Å; L71-F79 HydrophobicContact CD1-CZ 3.77Å; F79-S176 CarbonylContact O-C 3.6Å; F79-S176 WeakPolarHBondContact O-CA 3.49Å; F79-Y177 PolarHBondContact N-O 2.63Å; F79-Y177 PolarHBondContact O-N 2.77Å; F79-L179 HydrophobicContact CE2-CB 4.32Å; F79-L179 HydrophobicContact CE2-CD1 3.96Å; F79-L179 HydrophobicContact CZ-CD1 4.06Å; F79-I182 HydrophobicContact CB-CD1 3.79Å; F79-I182 HydrophobicContact CD2-CD1 4.12Å; F79-I182 HydrophobicContact CG-CD1 4.08Å; F79-F193 HydrophobicContact CB-CB 4.05Å; F79-F193 HydrophobicContact CB-CD1 3.73Å; F79-F193 HydrophobicContact CB-CG 4.15Å; F79-F193 HydrophobicContact CD1-CB 4.23Å; F79-R194 CarbonylContact C-O 3.45Å; F79-R194 WeakPolarHBondContact CA-O 3.49Å; F79-F195 HydrophobicContact CD1-CD2 4.37Å; F79-F195 AromaticContact CE1-CD2 3.94Å; F79-F195 HydrophobicContact CE1-CD2 3.94Å; F79-F195 HydrophobicContact CZ-CD2 4.18Å; F79-F195 HydrophobicContact CZ-CE2 4.44Å; F79-L205 HydrophobicContact CE1-CD1 4.32Å; F79-L207 HydrophobicContact CD1-CD1 4.13Å; F79-L207 HydrophobicContact CE1-CD1 4.29Å; F79-L207 HydrophobicContact CG-CD1 4.37Å
80K87.7Confident86.7Confident44 Ų4459.9 Ų59.919%0.19133%0.327CS..EExtended strand (participates in β ladder)trans-99.6135.8174.1-81.6-179.1169.9-1640110.1E174 E175 F193 R194 V196K80-E174 WeakPolarHBondContact CE-O 3.5Å; K80-E174 IonicContact NZ-OE2 2.74Å; K80-E174 PolarHBondContact NZ-OE2 3.31Å; K80-E175 WeakPolarHBondContact CG-O 3.36Å; K80-F193 CarbonylContact O-C 3.57Å; K80-F193 WeakPolarHBondContact O-CA 3.4Å; K80-R194 PolarHBondContact N-O 3.05Å; K80-R194 PolarHBondContact O-N 3.4Å; K80-V196 HydrophobicContact CB-CG2 4.36Å; K80-V196 HydrophobicContact CD-CG2 4Å; K80-V196 HydrophobicContact CG-CG2 3.65Å
81V85.8Confident86.5Confident18 Ų1854.8 Ų54.811%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-66.5133.1175173.90000109.2Y177 L188 R191 F193V81-Y177 HydrophobicContact CG2-CD2 3.89Å; V81-Y177 HydrophobicContact CG2-CE2 3.51Å; V81-L188 HydrophobicContact CG2-CD2 4.22Å; V81-R191 HydrophobicContact CG1-CB 4.31Å; V81-R191 HydrophobicContact CG1-CG 4.46Å; V81-F193 HydrophobicContact CB-CE1 4.42Å; V81-F193 HydrophobicContact CG2-CD1 4Å; V81-F193 HydrophobicContact CG2-CE1 3.37Å; V81-F193 HydrophobicContact CG2-CZ 3.96Å
82V85.7Confident86.3Confident16 Ų1658.9 Ų58.910%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-91.3124.3171.4-177.80000107.8R192 R194 I204V82-R192 HydrophobicContact CB-CB 4.23Å; V82-R192 PolarHBondContact N-O 2.84Å; V82-R194 HydrophobicContact CG2-CB 4.1Å; V82-I204 HydrophobicContact CG1-CD1 4.4Å; V82-I204 HydrophobicContact CG2-CG2 4.39Å
83P83.1Confident86Confident30 Ų3059 Ų5920%0.19532%0.316CS..PPolyproline II helixtrans-56.3150.2174.2-25.734.9000112E170 E172P83-E170 HydrophobicContact CB-CB 4.25Å; P83-E172 HydrophobicContact CG-CB 4.2Å
84E81.7Confident86Confident56 Ų5656.6 Ų56.626%0.26230%0.301SS..PPolyproline II helixtrans-67.8144.2176-72.7-62.7178.800112.1M86 Y88 R192E84-M86 VanDerWaalsContact C-N 3.34Å; E84-Y88 WeakPolarHBondContact CG-OH 3.38Å; E84-R192 IonicContact OE2-NH1 3.61Å; E84-R192 PolarHBondContact OE2-NH1 3.12Å; E84-R192 VanDerWaalsContact OE2-NH1 3.08Å
85Q78.2Confident85.6Confident159 Ų15951.3 Ų51.374%0.74327%0.268SS*.SBendtrans-75.3-26.6-179.7-66.7-174.65.300112.5
86M83.3Confident85Confident150 Ų15052.3 Ų52.374%0.73928%0.282SS*.SBendtrans-96.2135178-66.1-63.5177.900109.6E84E84-M86 VanDerWaalsContact C-N 3.34Å
87P86.4Confident84.4Confident55 Ų5549.3 Ų49.336%0.35726%0.261SS..PPolyproline II helixtrans-68.5143.6178.328.8-33.7000111E167 F168P87-E167 HydrophobicContact CB-CB 4.16Å; P87-E167 HydrophobicContact CG-CB 4.41Å; P87-F168 CarbonylContact C-O 3.5Å; P87-F168 VanDerWaalsContact CA-O 3.24Å; P87-F168 WeakPolarHBondContact CA-O 3.45Å
88Y87.3Confident83.6Confident12 Ų1250.4 Ų50.45%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-71.2149.6171.3-56-75.3000110.9E84 E93 M94 L97 F168 E170 R191E84-Y88 WeakPolarHBondContact CG-OH 3.38Å; Y88-E93 HydrophobicContact CD1-CG 3.99Å; Y88-M94 HydrophobicContact CD1-CB 4.37Å; Y88-M94 HydrophobicContact CD2-CB 3.66Å; Y88-M94 HydrophobicContact CD2-CG 3.59Å; Y88-M94 HydrophobicContact CD2-SD 4.07Å; Y88-M94 HydrophobicContact CE2-CB 4.17Å; Y88-M94 HydrophobicContact CE2-CG 3.75Å; Y88-M94 HydrophobicContact CE2-SD 4.46Å; Y88-M94 HydrophobicContact CG-CB 3.75Å; Y88-M94 HydrophobicContact CG-CG 4.21Å; Y88-L97 HydrophobicContact CD1-CD1 4.39Å; Y88-L97 HydrophobicContact CE1-CD1 3.57Å; Y88-F168 WeakPolarHBondContact CD2-O 3.32Å; Y88-F168 PolarHBondContact N-O 2.81Å; Y88-F168 PolarHBondContact O-N 3.4Å; Y88-E170 HydrophobicContact CE2-CG 3.87Å; Y88-E170 VanDerWaalsContact CE2-OE1 3.27Å; Y88-E170 WeakPolarHBondContact CE2-OE1 3.46Å; Y88-E170 VanDerWaalsContact CZ-OE1 3.29Å; Y88-E170 PolarHBondContact OH-OE1 2.84Å; Y88-R191 PolarHBondContact OH-NH1 2.76Å
89T87.9Confident82.3Confident79 Ų7948 Ų4849%0.48525%0.253SS..EExtended strand (participates in β ladder)trans-89.6-19-175.965.40000113.3E93 R165 G166T89-E93 PolarHBondContact N-OE2 2.92Å; T89-E93 PolarHBondContact OG1-OE2 3.32Å; T89-R165 VanDerWaalsContact O-CA 3.27Å; T89-R165 WeakPolarHBondContact O-CA 3.5Å; T89-G166 CarbonylContact C-O 3.55Å; T89-G166 WeakPolarHBondContact CA-O 3.46Å; T89-G166 PolarHBondContact O-N 2.76Å
90S88.3Confident80.5Confident16 Ų1653.5 Ų53.511%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-144.9161.6174.170.30000112.6E92 E93 M94 S164S90-E92 VanDerWaalsContact C-N 3.3Å; S90-E93 WeakPolarHBondContact OG-CB 3.06Å; S90-E93 PolarHBondContact OG-N 2.83Å; S90-E93 VanDerWaalsContact OG-N 3.07Å; S90-M94 PolarHBondContact O-N 2.77Å; S90-S164 VanDerWaalsContact CA-O 3.22Å; S90-S164 WeakPolarHBondContact CA-O 3.41Å; S90-S164 WeakPolarHBondContact CB-O 3.27Å
91V86.3Confident78.8Confident1 Ų156.7 Ų56.71%0.00631%0.305CS..Hα-helixtrans-65.4-37.3173.3178.20000110.6M94 L95 V144 S164 F168V91-M94 HydrophobicContact CG1-CE 4.41Å; V91-M94 PolarHBondContact O-N 3.05Å; V91-L95 HydrophobicContact CG1-CD1 3.81Å; V91-L95 HydrophobicContact CG1-CG 4.32Å; V91-L95 WeakPolarHBondContact O-CB 3.33Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.41Å; V91-V144 HydrophobicContact CG1-CG2 4.06Å; V91-S164 PolarHBondContact N-O 3.09Å; V91-F168 HydrophobicContact CG2-CD2 4.2Å; V91-F168 HydrophobicContact CG2-CE1 4.22Å; V91-F168 HydrophobicContact CG2-CE2 3.75Å; V91-F168 HydrophobicContact CG2-CZ 3.77Å
92E86.4Confident77.1Confident112 Ų11258.6 Ų58.652%0.52331%0.314SS..Hα-helixtrans-58.9-47.4174.5-175.3179.5-159.100113.6S90 M94 L95 S96 L162S90-E92 VanDerWaalsContact C-N 3.3Å; E92-M94 VanDerWaalsContact C-N 3.34Å; E92-M94 PolarHBondContact O-N 2.87Å; E92-L95 PolarHBondContact O-N 2.82Å; E92-S96 WeakPolarHBondContact O-CB 3.21Å; E92-S96 PolarHBondContact O-N 3.34Å; E92-L162 HydrophobicContact CB-CB 4.28Å; E92-L162 HydrophobicContact CB-CD2 4.27Å; E92-L162 WeakPolarHBondContact CB-O 3.48Å; E92-L162 HydrophobicContact CG-CD2 4.37Å; E92-L162 PolarHBondContact N-O 2.92Å
93E86Confident75.4Confident74 Ų7464.9 Ų64.935%0.34635%0.347SS..Hα-helixtrans-57.7-48.7178-178-175.8-172.700110.8Y88 T89 S90 L95 S96Y88-E93 HydrophobicContact CD1-CG 3.99Å; T89-E93 PolarHBondContact N-OE2 2.92Å; T89-E93 PolarHBondContact OG1-OE2 3.32Å; S90-E93 WeakPolarHBondContact OG-CB 3.06Å; S90-E93 PolarHBondContact OG-N 2.83Å; S90-E93 VanDerWaalsContact OG-N 3.07Å; E93-L95 PolarHBondContact O-N 2.92Å; E93-S96 PolarHBondContact O-N 2.91Å; E93-S96 PolarHBondContact O-OG 3.48Å
94M85.6Confident74Confident0 Ų070.1 Ų70.10%037%0.374CS..Hα-helixtrans-61.5-41.5179.1-177.7-179.66100112.5Y88 S90 V91 E92 F108 F110 F168 E170Y88-M94 HydrophobicContact CD1-CB 4.37Å; Y88-M94 HydrophobicContact CD2-CB 3.66Å; Y88-M94 HydrophobicContact CD2-CG 3.59Å; Y88-M94 HydrophobicContact CD2-SD 4.07Å; Y88-M94 HydrophobicContact CE2-CB 4.17Å; Y88-M94 HydrophobicContact CE2-CG 3.75Å; Y88-M94 HydrophobicContact CE2-SD 4.46Å; Y88-M94 HydrophobicContact CG-CB 3.75Å; Y88-M94 HydrophobicContact CG-CG 4.21Å; S90-M94 PolarHBondContact O-N 2.77Å; V91-M94 HydrophobicContact CG1-CE 4.41Å; V91-M94 PolarHBondContact O-N 3.05Å; E92-M94 VanDerWaalsContact C-N 3.34Å; E92-M94 PolarHBondContact O-N 2.87Å; M94-F108 HydrophobicContact CE-CE2 3.92Å; M94-F108 HydrophobicContact CE-CZ 4.07Å; M94-F108 HydrophobicContact SD-CE2 4.3Å; M94-F110 HydrophobicContact CE-CB 3.88Å; M94-F110 HydrophobicContact CE-CD1 3.66Å; M94-F110 HydrophobicContact CE-CD2 3.72Å; M94-F110 HydrophobicContact CE-CE1 4.02Å; M94-F110 HydrophobicContact CE-CE2 4.07Å; M94-F110 HydrophobicContact CE-CG 3.49Å; M94-F110 VanDerWaalsContact CE-CG 3.49Å; M94-F110 HydrophobicContact CE-CZ 4.21Å; M94-F110 HydrophobicContact SD-CB 3.61Å; M94-F110 HydrophobicContact SD-CD2 4.23Å; M94-F110 HydrophobicContact SD-CG 3.91Å; M94-F168 HydrophobicContact SD-CB 4.26Å; M94-E170 HydrophobicContact CG-CG 3.79Å; M94-E170 HydrophobicContact SD-CG 3.83Å
95L80Confident72.8Confident11 Ų1168 Ų686%0.05837%0.365CS..Hα-helixtrans-72.4-33.2179.3-74.2175.1000112.8V91 E92 E93 L97 R98 F108 I134 V144 L162V91-L95 HydrophobicContact CG1-CD1 3.81Å; V91-L95 HydrophobicContact CG1-CG 4.32Å; V91-L95 WeakPolarHBondContact O-CB 3.33Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.41Å; E92-L95 PolarHBondContact O-N 2.82Å; E93-L95 PolarHBondContact O-N 2.92Å; L95-L97 PolarHBondContact O-N 3.08Å; L95-R98 WeakPolarHBondContact O-CB 3.45Å; L95-R98 PolarHBondContact O-N 3.43Å; L95-F108 HydrophobicContact CD2-CD1 4.5Å; L95-F108 HydrophobicContact CD2-CE1 3.26Å; L95-F108 HydrophobicContact CD2-CZ 3.28Å; L95-F108 HydrophobicContact CG-CZ 4.29Å; L95-I134 HydrophobicContact CD1-CD1 4.11Å; L95-I134 HydrophobicContact CD2-CD1 4.36Å; L95-V144 HydrophobicContact CD1-CG1 4.47Å; L95-V144 HydrophobicContact CD1-CG2 3.62Å; L95-L162 HydrophobicContact CD1-CD2 3.68Å; L95-L162 HydrophobicContact CD1-CG 4.07Å
96S76.3Confident72.2Confident74 Ų7462.3 Ų62.352%0.51734%0.34SS..Hα-helixtrans-65-22.3-178.973.30000114E92 E93E92-S96 WeakPolarHBondContact O-CB 3.21Å; E92-S96 PolarHBondContact O-N 3.34Å; E93-S96 PolarHBondContact O-N 2.91Å; E93-S96 PolarHBondContact O-OG 3.48Å
97L72.6Confident71.6Confident57 Ų5759.3 Ų59.330%0.29833%0.331SS..THydrogen-bonded Turntrans-90.22.4-179.5-64.8172.4000113.5Y88 L95Y88-L97 HydrophobicContact CD1-CD1 4.39Å; Y88-L97 HydrophobicContact CE1-CD1 3.57Å; L95-L97 PolarHBondContact O-N 3.08Å
98R71.1Confident71.3Confident25 Ų2557.1 Ų57.19%0.09432%0.316CS..SBendtrans-83.6147.7176-72.4-76.6179.6146.3-3.5111.2L95 E170 C187L95-R98 WeakPolarHBondContact O-CB 3.45Å; L95-R98 PolarHBondContact O-N 3.43Å; R98-E170 IonicContact CZ-OE2 2.88Å; R98-E170 VanDerWaalsContact CZ-OE2 3.26Å; R98-E170 IonicContact NE-OE2 3.97Å; R98-E170 PolarHBondContact NE-OE2 3.39Å; R98-E170 IonicContact NH2-OE2 3.86Å; R98-E170 PolarHBondContact NH2-OE2 2.85Å; R98-C187 WeakPolarHBondContact O-CB 3.26Å; R98-C187 PolarHBondContact O-SG 2.91Å
99P60Low71.2Confident19 Ų1958.6 Ų58.612%0.12333%0.326CS..  trans-57.5142.1176.819.5-28.8000112.3D101 L188P99-D101 PolarHBondContact O-N 3.08Å; P99-D101 VanDerWaalsContact O-N 3.1Å; P99-L188 HydrophobicContact CB-CD1 4.2Å; P99-L188 HydrophobicContact CB-CD2 4.33Å; P99-L188 HydrophobicContact CB-CG 3.97Å; P99-L188 HydrophobicContact CG-CD1 4.42Å; P99-L188 HydrophobicContact CG-CD2 3.97Å; P99-L188 HydrophobicContact CG-CG 4.17Å
100V51.3Low71.2Confident115 Ų11554.9 Ų54.970%0.69730%0.303SS*.SBendtrans-80.492.5178-177.30000109.7
101D50.8Low71.2Confident111 Ų11155.3 Ų55.359%0.59431%0.305SS*.  -162.688122.3-89.2-31.7000102.6P99 D103 D104P99-D101 PolarHBondContact O-N 3.08Å; P99-D101 VanDerWaalsContact O-N 3.1Å; D101-D103 PolarHBondContact O-N 3.5Å; D101-D104 PolarHBondContact O-N 2.9Å
102L50.5Low71.2Confident59 Ų5955.5 Ų55.531%0.30931%0.306SS..THydrogen-bonded Turntrans-59.6-17.3-164.2-81.6148.9000113.5L106 I134L102-L106 VanDerWaalsContact O-CD1 3.24Å; L102-L106 WeakPolarHBondContact O-CD1 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.02Å; L102-I134 HydrophobicContact CD1-CD1 4.36Å; L102-I134 HydrophobicContact CD2-CD1 3.99Å
103D51.1Low71.1Confident147 Ų14754.9 Ų54.979%0.78630%0.303SS*.THydrogen-bonded Turntrans-76-23.7175.4-73.3-24.4000113.3D101D101-D103 PolarHBondContact O-N 3.5Å
104D52.8Low70.9Confident141 Ų14153.4 Ų53.475%0.75430%0.302SS*.THydrogen-bonded Turntrans-93.2-9.3-176.5-75-21.3000114D101D101-D104 PolarHBondContact O-N 2.9Å
105S56.3Low70.8Confident11 Ų1160.7 Ų60.78%0.07733%0.333CS..SBendtrans-116.216.9-175.857.40000113.9
106L65.1Low70.8Confident40 Ų4060.9 Ų60.921%0.20934%0.335CS..  trans-103.5144.8172.2-71.5168.5000109.9L102 F108 V131L102-L106 VanDerWaalsContact O-CD1 3.24Å; L102-L106 WeakPolarHBondContact O-CD1 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.02Å; L106-F108 HydrophobicContact CD2-CD1 3.85Å; L106-F108 HydrophobicContact CD2-CE1 4.32Å; L106-V131 HydrophobicContact CD2-CB 3.9Å; L106-V131 HydrophobicContact CD2-CG1 3.61Å
107P72.6Confident70.8Confident86 Ų8661.8 Ų61.856%0.55834%0.337SS*.  cis-90.41446.433.5-33.3000113.8T130 V131P107-T130 HydrophobicContact CB-CG2 3.59Å; P107-T130 HydrophobicContact CG-CG2 4.47Å; P107-V131 VanDerWaalsContact CA-O 3.3Å; P107-V131 WeakPolarHBondContact CA-O 3.47Å; P107-V131 WeakPolarHBondContact CB-O 3.44Å
108F78.1Confident70.9Confident10 Ų1060.1 Ų60.14%0.04433%0.328CS..EExtended strand (participates in β ladder)trans-119.7152.1170.486.4-89.4000111.9M94 L95 L106 F110 T130 V131M94-F108 HydrophobicContact CE-CE2 3.92Å; M94-F108 HydrophobicContact CE-CZ 4.07Å; M94-F108 HydrophobicContact SD-CE2 4.3Å; L95-F108 HydrophobicContact CD2-CD1 4.5Å; L95-F108 HydrophobicContact CD2-CE1 3.26Å; L95-F108 HydrophobicContact CD2-CZ 3.28Å; L95-F108 HydrophobicContact CG-CZ 4.29Å; L106-F108 HydrophobicContact CD2-CD1 3.85Å; L106-F108 HydrophobicContact CD2-CE1 4.32Å; F108-F110 HydrophobicContact CE2-CB 4.23Å; F108-F110 AromaticContact CE2-CD1 3.74Å; F108-F110 HydrophobicContact CE2-CD1 3.74Å; F108-F110 HydrophobicContact CE2-CG 4.37Å; F108-F110 HydrophobicContact CZ-CD1 4.17Å; F108-T130 CarbonylContact O-C 3.46Å; F108-T130 VanDerWaalsContact O-CA 3.3Å; F108-T130 WeakPolarHBondContact O-CA 3.32Å; F108-V131 HydrophobicContact CD1-CB 3.74Å; F108-V131 HydrophobicContact CD1-CG1 4.41Å; F108-V131 HydrophobicContact CD1-CG2 4Å; F108-V131 HydrophobicContact CE1-CB 3.4Å; F108-V131 VanDerWaalsContact CE1-CB 3.4Å; F108-V131 HydrophobicContact CE1-CG1 3.87Å; F108-V131 HydrophobicContact CE1-CG2 3.28Å; F108-V131 HydrophobicContact CE2-CG2 4.02Å; F108-V131 HydrophobicContact CZ-CB 3.98Å; F108-V131 HydrophobicContact CZ-CG2 3.29Å; F108-V131 PolarHBondContact O-N 3.39Å
109T85.8Confident70.9Confident42 Ų4263 Ų6326%0.25836%0.364SS..EExtended strand (participates in β ladder)trans-114.9138.9-176.9-54.60000111.7A128 L129 T130 C171T109-A128 HydrophobicContact CG2-CB 3.78Å; T109-L129 CarbonylContact C-O 3.54Å; T109-L129 VanDerWaalsContact CA-O 3.26Å; T109-L129 WeakPolarHBondContact CA-O 3.38Å; T109-T130 PolarHBondContact OG1-OG1 3.02Å; T109-C171 HydrophobicContact CG2-CB 4.35Å; T109-C171 VanDerWaalsContact O-CB 3.32Å; T109-C171 WeakPolarHBondContact O-CB 3.36Å; T109-C171 PolarHBondContact O-N 2.8Å
110F88.1Confident71.3Confident1 Ų168.3 Ų68.30%0.00440%0.402CS..EExtended strand (participates in β ladder)trans-136.1164.9171.670.1-83.9000110.9M94 F108 A128 L129 V131 F168 S169M94-F110 HydrophobicContact CE-CB 3.88Å; M94-F110 HydrophobicContact CE-CD1 3.66Å; M94-F110 HydrophobicContact CE-CD2 3.72Å; M94-F110 HydrophobicContact CE-CE1 4.02Å; M94-F110 HydrophobicContact CE-CE2 4.07Å; M94-F110 HydrophobicContact CE-CG 3.49Å; M94-F110 VanDerWaalsContact CE-CG 3.49Å; M94-F110 HydrophobicContact CE-CZ 4.21Å; M94-F110 HydrophobicContact SD-CB 3.61Å; M94-F110 HydrophobicContact SD-CD2 4.23Å; M94-F110 HydrophobicContact SD-CG 3.91Å; F108-F110 HydrophobicContact CE2-CB 4.23Å; F108-F110 AromaticContact CE2-CD1 3.74Å; F108-F110 HydrophobicContact CE2-CD1 3.74Å; F108-F110 HydrophobicContact CE2-CG 4.37Å; F108-F110 HydrophobicContact CZ-CD1 4.17Å; F110-A128 WeakPolarHBondContact O-CA 3.36Å; F110-L129 HydrophobicContact CD1-CB 4Å; F110-L129 WeakPolarHBondContact CD1-O 3.43Å; F110-L129 HydrophobicContact CD2-CB 4.44Å; F110-L129 HydrophobicContact CD2-CD1 4.21Å; F110-L129 HydrophobicContact CE1-CB 3.63Å; F110-L129 HydrophobicContact CE1-CD1 4.4Å; F110-L129 HydrophobicContact CE2-CB 4.11Å; F110-L129 HydrophobicContact CE2-CD1 3.48Å; F110-L129 VanDerWaalsContact CE2-CD1 3.48Å; F110-L129 HydrophobicContact CE2-CG 4.44Å; F110-L129 HydrophobicContact CG-CB 4.4Å; F110-L129 HydrophobicContact CZ-CB 3.7Å; F110-L129 HydrophobicContact CZ-CD1 3.6Å; F110-L129 HydrophobicContact CZ-CG 4.23Å; F110-L129 PolarHBondContact N-O 3.2Å; F110-L129 PolarHBondContact O-N 3.19Å; F110-V131 HydrophobicContact CD1-CG2 4.01Å; F110-V131 HydrophobicContact CE1-CG2 3.62Å; F110-F168 HydrophobicContact CD2-CB 4.34Å; F110-F168 AromaticContact CD2-CD1 3.91Å; F110-F168 HydrophobicContact CD2-CD1 3.91Å; F110-F168 HydrophobicContact CD2-CG 4.44Å; F110-F168 AromaticContact CE2-CD1 3.7Å; F110-F168 HydrophobicContact CE2-CD1 3.7Å; F110-F168 HydrophobicContact CE2-CE1 4.1Å; F110-F168 HydrophobicContact CE2-CG 4.43Å; F110-S169 CarbonylContact C-O 3.41Å; F110-S169 WeakPolarHBondContact CA-O 3.44Å; F110-S169 WeakPolarHBondContact CB-O 3.42Å
111V88.7Confident72.3Confident26 Ų2665.2 Ų65.216%0.15838%0.382CS..EExtended strand (participates in β ladder)trans-125.7151175.2-65.40000110.1A128 F168 S169V111-A128 HydrophobicContact CG1-CB 4.01Å; V111-F168 CarbonylContact O-C 3.58Å; V111-F168 WeakPolarHBondContact O-CA 3.36Å; V111-S169 WeakPolarHBondContact CG2-OG 3.34Å; V111-S169 PolarHBondContact N-O 3.22Å; V111-S169 PolarHBondContact O-N 3.33Å
112S86.8Confident73.6Confident4 Ų463.4 Ų63.43%0.02838%0.375CS..EExtended strand (participates in β ladder)trans-99130.7165.5178.60000110.1S114 V116 G126 E167S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact OG-N 2.78Å; S112-S114 PolarHBondContact OG-O 2.84Å; S112-V116 WeakPolarHBondContact OG-CG2 3.47Å; S112-G126 PolarHBondContact O-N 3.18Å; S112-E167 CarbonylContact C-O 3.58Å; S112-E167 WeakPolarHBondContact CA-O 3.14Å
113H84.3Confident74.8Confident99 Ų9961.1 Ų61.146%0.45836%0.363SS..SBendtrans-76.1-18.9174.8-66.5-75.3000113.1A125 E167 S169H113-A125 VanDerWaalsContact O-CB 3.28Å; H113-A125 WeakPolarHBondContact O-CB 3.33Å; H113-E167 HydrophobicContact CB-CB 3.99Å; H113-E167 PolarHBondContact CD2-O 2.82Å; H113-E167 PolarHBondContact N-O 2.91Å; H113-S169 WeakPolarHBondContact NE2-CB 3.38Å; H113-S169 PolarHBondContact NE2-OG 3.26Å; H113-S169 VanDerWaalsContact NE2-OG 3.11Å
114S82.1Confident76Confident44 Ų4455.9 Ų55.931%0.30834%0.343SS..SBendtrans-112.8162.1177.263.20000111.7S112 V116S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact OG-N 2.78Å; S112-S114 PolarHBondContact OG-O 2.84Å; S114-V116 WeakPolarHBondContact O-CG2 3.47Å; S114-V116 PolarHBondContact O-N 2.86Å
115K82.7Confident77.5Confident152 Ų15252.1 Ų52.166%0.66133%0.332SS*.  trans-71121.9172.9-177.5-176.3178.3-177.30108.4T122 L123K115-T122 HydrophobicContact CD-CG2 4.18Å; K115-T122 HydrophobicContact CG-CG2 4.07Å; K115-L123 WeakPolarHBondContact CA-O 3.38Å; K115-L123 WeakPolarHBondContact CG-O 3.35Å
116V79Confident78.7Confident15 Ų1554.2 Ų54.29%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-118.2137.5-178.4-160.30000110.1S112 S114 F118 L123 F168S112-V116 WeakPolarHBondContact OG-CG2 3.47Å; S114-V116 WeakPolarHBondContact O-CG2 3.47Å; S114-V116 PolarHBondContact O-N 2.86Å; V116-F118 HydrophobicContact CB-CE1 4.35Å; V116-F118 HydrophobicContact CB-CE2 4.01Å; V116-F118 HydrophobicContact CB-CZ 3.79Å; V116-F118 HydrophobicContact CG1-CD1 4.15Å; V116-F118 HydrophobicContact CG1-CE1 3.37Å; V116-F118 HydrophobicContact CG1-CE2 3.91Å; V116-F118 HydrophobicContact CG1-CZ 3.25Å; V116-L123 PolarHBondContact N-O 3.28Å; V116-L123 VanDerWaalsContact N-O 3.09Å; V116-L123 PolarHBondContact O-N 3.23Å; V116-F168 HydrophobicContact CG2-CE1 4.34Å
117T77.4Confident79.6Confident93 Ų9355.5 Ų55.557%0.57136%0.359SS*.EExtended strand (participates in β ladder)trans-113.8120.7178.140.70000110.2L121 T122T117-L121 CarbonylContact C-O 3.58Å; T117-L121 VanDerWaalsContact CA-O 3.3Å; T117-L121 WeakPolarHBondContact CA-O 3.3Å; T117-T122 HydrophobicContact CG2-CG2 3.79Å; T117-T122 WeakPolarHBondContact CG2-OG1 3.5Å
118F74.6Confident80.2Confident23 Ų2353.6 Ų53.610%0.10135%0.35CS..EExtended strand (participates in β ladder)trans-115.596.7177.5-54.1-62.8000108.8V116 S120 L121 L123 I160 S164V116-F118 HydrophobicContact CB-CE1 4.35Å; V116-F118 HydrophobicContact CB-CE2 4.01Å; V116-F118 HydrophobicContact CB-CZ 3.79Å; V116-F118 HydrophobicContact CG1-CD1 4.15Å; V116-F118 HydrophobicContact CG1-CE1 3.37Å; V116-F118 HydrophobicContact CG1-CE2 3.91Å; V116-F118 HydrophobicContact CG1-CZ 3.25Å; F118-S120 PolarHBondContact O-N 2.95Å; F118-S120 VanDerWaalsContact O-N 3.12Å; F118-L121 HydrophobicContact CD2-CD2 4.47Å; F118-L121 PolarHBondContact N-O 3.11Å; F118-L121 WeakPolarHBondContact O-CB 3.47Å; F118-L121 PolarHBondContact O-N 3.08Å; F118-L123 HydrophobicContact CD2-CD1 4.05Å; F118-L123 HydrophobicContact CD2-CG 4.38Å; F118-L123 HydrophobicContact CE2-CD1 3.64Å; F118-L123 HydrophobicContact CE2-CG 4.32Å; F118-I160 HydrophobicContact CD1-CG2 3.66Å; F118-I160 HydrophobicContact CD2-CD1 3.86Å; F118-I160 HydrophobicContact CD2-CG1 3.8Å; F118-I160 HydrophobicContact CD2-CG2 4.31Å; F118-I160 HydrophobicContact CE1-CG2 3.43Å; F118-I160 VanDerWaalsContact CE1-CG2 3.43Å; F118-I160 HydrophobicContact CE2-CD1 3.56Å; F118-I160 HydrophobicContact CE2-CG1 3.95Å; F118-I160 HydrophobicContact CE2-CG2 4.08Å; F118-I160 HydrophobicContact CG-CG1 4.08Å; F118-I160 HydrophobicContact CG-CG2 4.09Å; F118-I160 HydrophobicContact CZ-CD1 4.07Å; F118-I160 HydrophobicContact CZ-CG1 4.38Å; F118-I160 HydrophobicContact CZ-CG2 3.63Å; F118-S164 VanDerWaalsContact CE1-OG 3.29Å; F118-S164 WeakPolarHBondContact CE1-OG 3.39Å
119G71.8Confident80.7Confident84 Ų8453.1 Ų53.187%0.86635%0.348SS*.THydrogen-bonded Turntrans58-117-173.700000112
120S67.6Low80.8Confident131 Ų13152.6 Ų52.692%0.91635%0.345SS*.THydrogen-bonded Turntrans-84-10.9177.2580000114.1F118F118-S120 PolarHBondContact O-N 2.95Å; F118-S120 VanDerWaalsContact O-N 3.12Å
121L71.3Confident80.7Confident51 Ų5152.5 Ų52.527%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-88.8134.1179.7-178.372.6000110.9T117 F118 L123 V158T117-L121 CarbonylContact C-O 3.58Å; T117-L121 VanDerWaalsContact CA-O 3.3Å; T117-L121 WeakPolarHBondContact CA-O 3.3Å; F118-L121 HydrophobicContact CD2-CD2 4.47Å; F118-L121 PolarHBondContact N-O 3.11Å; F118-L121 WeakPolarHBondContact O-CB 3.47Å; F118-L121 PolarHBondContact O-N 3.08Å; L121-L123 HydrophobicContact CD1-CD2 4.34Å; L121-L123 HydrophobicContact CD2-CD1 4.48Å; L121-L123 HydrophobicContact CD2-CD2 3.86Å; L121-L123 HydrophobicContact CD2-CG 4Å; L121-L123 HydrophobicContact CG-CD2 4.13Å; L121-L123 HydrophobicContact CG-CG 4.28Å; L121-V158 HydrophobicContact CD2-CB 3.9Å; L121-V158 HydrophobicContact CD2-CG1 3.21Å; L121-V158 HydrophobicContact CD2-CG2 3.45Å; L121-V158 VanDerWaalsContact CD2-CG2 3.45Å
122T78.3Confident80.5Confident72 Ų7254.3 Ų54.344%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-119.6115.3171.5-57.20000109.7K115 T117K115-T122 HydrophobicContact CD-CG2 4.18Å; K115-T122 HydrophobicContact CG-CG2 4.07Å; T117-T122 HydrophobicContact CG2-CG2 3.79Å; T117-T122 WeakPolarHBondContact CG2-OG1 3.5Å
123L76.8Confident80.3Confident12 Ų1255.8 Ų55.86%0.06336%0.363CS..EExtended strand (participates in β ladder)trans-94.2128.2174.3-64-176.8000110.3K115 V116 F118 L121 L129 V148K115-L123 WeakPolarHBondContact CA-O 3.38Å; K115-L123 WeakPolarHBondContact CG-O 3.35Å; V116-L123 PolarHBondContact N-O 3.28Å; V116-L123 VanDerWaalsContact N-O 3.09Å; V116-L123 PolarHBondContact O-N 3.23Å; F118-L123 HydrophobicContact CD2-CD1 4.05Å; F118-L123 HydrophobicContact CD2-CG 4.38Å; F118-L123 HydrophobicContact CE2-CD1 3.64Å; F118-L123 HydrophobicContact CE2-CG 4.32Å; L121-L123 HydrophobicContact CD1-CD2 4.34Å; L121-L123 HydrophobicContact CD2-CD1 4.48Å; L121-L123 HydrophobicContact CD2-CD2 3.86Å; L121-L123 HydrophobicContact CD2-CG 4Å; L121-L123 HydrophobicContact CG-CD2 4.13Å; L121-L123 HydrophobicContact CG-CG 4.28Å; L123-L129 HydrophobicContact CD1-CD1 3.6Å; L123-L129 HydrophobicContact CD1-CD2 3.62Å; L123-L129 HydrophobicContact CD1-CG 3.94Å; L123-V148 HydrophobicContact CD2-CG1 4.22Å; L123-V148 HydrophobicContact CD2-CG2 4.45Å
124G76.6Confident80.3Confident36 Ų3653 Ų5337%0.37135%0.351SS..PPolyproline II helixtrans-69.4152.3170.700000111.5K127G124-K127 WeakPolarHBondContact O-CB 3.42Å; G124-K127 WeakPolarHBondContact O-CG 3.33Å; G124-K127 PolarHBondContact O-N 2.65Å
125A83.7Confident80.3Confident63 Ų6353.5 Ų53.552%0.52135%0.349SS..THydrogen-bonded Turntrans-54.7141.2172.500000111.4H113 K127H113-A125 VanDerWaalsContact O-CB 3.28Å; H113-A125 WeakPolarHBondContact O-CB 3.33Å; A125-K127 VanDerWaalsContact C-N 3.29Å; A125-K127 PolarHBondContact O-N 3.13Å
126G81.4Confident80.2Confident54 Ų5453.3 Ų53.356%0.55735%0.348SS*.THydrogen-bonded Turntrans76.17.6179.400000115S112S112-G126 PolarHBondContact O-N 3.18Å
127K83.3Confident79.9Confident68 Ų6859 Ų5930%0.29637%0.368SS..  trans-78.7126.8175-75.8-71.2-177.3-179.70111.1G124 A125G124-K127 WeakPolarHBondContact O-CB 3.42Å; G124-K127 WeakPolarHBondContact O-CG 3.33Å; G124-K127 PolarHBondContact O-N 2.65Å; A125-K127 VanDerWaalsContact C-N 3.29Å; A125-K127 PolarHBondContact O-N 3.13Å
128A86.7Confident79.2Confident45 Ų4563.6 Ų63.637%0.37238%0.383SS..EExtended strand (participates in β ladder)trans-77.2133.6177.600000111.6T109 F110 V111T109-A128 HydrophobicContact CG2-CB 3.78Å; F110-A128 WeakPolarHBondContact O-CA 3.36Å; V111-A128 HydrophobicContact CG1-CB 4.01Å
129L87.6Confident79Confident1 Ų170.8 Ų70.81%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-118.6120.1178.4-74.7149.4000107.9T109 F110 L123 C146 V148 I160T109-L129 CarbonylContact C-O 3.54Å; T109-L129 VanDerWaalsContact CA-O 3.26Å; T109-L129 WeakPolarHBondContact CA-O 3.38Å; F110-L129 HydrophobicContact CD1-CB 4Å; F110-L129 WeakPolarHBondContact CD1-O 3.43Å; F110-L129 HydrophobicContact CD2-CB 4.44Å; F110-L129 HydrophobicContact CD2-CD1 4.21Å; F110-L129 HydrophobicContact CE1-CB 3.63Å; F110-L129 HydrophobicContact CE1-CD1 4.4Å; F110-L129 HydrophobicContact CE2-CB 4.11Å; F110-L129 HydrophobicContact CE2-CD1 3.48Å; F110-L129 VanDerWaalsContact CE2-CD1 3.48Å; F110-L129 HydrophobicContact CE2-CG 4.44Å; F110-L129 HydrophobicContact CG-CB 4.4Å; F110-L129 HydrophobicContact CZ-CB 3.7Å; F110-L129 HydrophobicContact CZ-CD1 3.6Å; F110-L129 HydrophobicContact CZ-CG 4.23Å; F110-L129 PolarHBondContact N-O 3.2Å; F110-L129 PolarHBondContact O-N 3.19Å; L123-L129 HydrophobicContact CD1-CD1 3.6Å; L123-L129 HydrophobicContact CD1-CD2 3.62Å; L123-L129 HydrophobicContact CD1-CG 3.94Å; L129-C146 HydrophobicContact CB-CB 4.46Å; L129-C146 HydrophobicContact CD2-CB 3.82Å; L129-V148 HydrophobicContact CD2-CG2 3.44Å; L129-V148 VanDerWaalsContact CD2-CG2 3.44Å; L129-V148 HydrophobicContact CG-CG2 4.47Å; L129-I160 HydrophobicContact CD1-CD1 4.29Å; L129-I160 HydrophobicContact CD2-CD1 3.73Å
130T88Confident79.3Confident30 Ų3072.4 Ų72.418%0.18441%0.407CS..EExtended strand (participates in β ladder)trans-102.1112.4176.6-60.80000109.5P107 F108 T109 C146 H147P107-T130 HydrophobicContact CB-CG2 3.59Å; P107-T130 HydrophobicContact CG-CG2 4.47Å; F108-T130 CarbonylContact O-C 3.46Å; F108-T130 VanDerWaalsContact O-CA 3.3Å; F108-T130 WeakPolarHBondContact O-CA 3.32Å; T109-T130 PolarHBondContact OG1-OG1 3.02Å; T130-C146 CarbonylContact O-C 3.59Å; T130-C146 VanDerWaalsContact O-CA 3.27Å; T130-C146 WeakPolarHBondContact O-CA 3.46Å; T130-H147 PolarHBondContact N-O 3.44Å; T130-H147 PolarHBondContact O-N 3.24Å
131V86.1Confident79.9Confident0 Ų070.8 Ų70.80%039%0.385CS..EExtended strand (participates in β ladder)trans-68.7132.8177.6-177.10000109.8L106 P107 F108 F110 V144L106-V131 HydrophobicContact CD2-CB 3.9Å; L106-V131 HydrophobicContact CD2-CG1 3.61Å; P107-V131 VanDerWaalsContact CA-O 3.3Å; P107-V131 WeakPolarHBondContact CA-O 3.47Å; P107-V131 WeakPolarHBondContact CB-O 3.44Å; F108-V131 HydrophobicContact CD1-CB 3.74Å; F108-V131 HydrophobicContact CD1-CG1 4.41Å; F108-V131 HydrophobicContact CD1-CG2 4Å; F108-V131 HydrophobicContact CE1-CB 3.4Å; F108-V131 VanDerWaalsContact CE1-CB 3.4Å; F108-V131 HydrophobicContact CE1-CG1 3.87Å; F108-V131 HydrophobicContact CE1-CG2 3.28Å; F108-V131 HydrophobicContact CE2-CG2 4.02Å; F108-V131 HydrophobicContact CZ-CB 3.98Å; F108-V131 HydrophobicContact CZ-CG2 3.29Å; F108-V131 PolarHBondContact O-N 3.39Å; F110-V131 HydrophobicContact CD1-CG2 4.01Å; F110-V131 HydrophobicContact CE1-CG2 3.62Å; V131-V144 HydrophobicContact CB-CG1 4.22Å; V131-V144 HydrophobicContact CG1-CG1 3.43Å; V131-V144 VanDerWaalsContact CG1-CG1 3.43Å; V131-V144 HydrophobicContact CG2-CG1 3.77Å
132L84.3Confident80.6Confident63 Ų6370.9 Ų70.933%0.3339%0.386SS..EExtended strand (participates in β ladder)trans-107.4-39.2179.5-60.7179.6000112.1R145 H147 E157L132-R145 PolarHBondContact N-O 3.24Å; L132-H147 HydrophobicContact CD1-CB 4.1Å; L132-H147 HydrophobicContact CD2-CB 4.21Å; L132-H147 HydrophobicContact CG-CB 4.19Å; L132-E157 HydrophobicContact CD1-CG 4.09Å
133S83.8Confident81Confident35 Ų3569.7 Ų69.725%0.24538%0.376CS..EExtended strand (participates in β ladder)trans-164.7159.8-179.862.40000111.1R145S133-R145 PolarHBondContact N-O 3.39Å; S133-R145 PolarHBondContact O-N 3.21Å
134I82.8Confident81.5Confident42 Ų4269.1 Ų69.122%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-108.6118.4170.9-60169.9000108L95 L102 K136 L162L95-I134 HydrophobicContact CD1-CD1 4.11Å; L95-I134 HydrophobicContact CD2-CD1 4.36Å; L102-I134 HydrophobicContact CD1-CD1 4.36Å; L102-I134 HydrophobicContact CD2-CD1 3.99Å; I134-K136 HydrophobicContact CG2-CG 4.19Å; I134-L162 HydrophobicContact CG2-CD1 3.92Å
135E83.6Confident82Confident53 Ų5371.8 Ų71.825%0.24837%0.372CS..EExtended strand (participates in β ladder)trans-91.2104.4176.7-66.5-177.4-161.200109.2R137 M143E135-R137 IonicContact OE2-CZ 3.91Å; E135-R137 IonicContact OE2-NE 3.57Å; E135-R137 IonicContact OE2-NH2 3.86Å; E135-R137 PolarHBondContact OE2-NH2 3.44Å; E135-R137 VanDerWaalsContact OE2-NH2 3.1Å; E135-M143 HydrophobicContact CB-CB 4.48Å; E135-M143 PolarHBondContact N-O 2.87Å; E135-M143 PolarHBondContact O-N 2.82Å
136K80.1Confident82.2Confident149 Ų14968.8 Ų68.865%0.64835%0.347SS*.  trans-93.5130171.8-59.1-174.8179179.40109.6I134 D142I134-K136 HydrophobicContact CG2-CG 4.19Å; K136-D142 WeakPolarHBondContact CA-OD1 3.24Å
137R73.3Confident82.4Confident133 Ų13368.2 Ų68.250%0.50233%0.33SS..  trans-130.2133.7179.5-67.6-179.1-172.8-176.15.6109.4E135 D139 E140E135-R137 IonicContact OE2-CZ 3.91Å; E135-R137 IonicContact OE2-NE 3.57Å; E135-R137 IonicContact OE2-NH2 3.86Å; E135-R137 PolarHBondContact OE2-NH2 3.44Å; E135-R137 VanDerWaalsContact OE2-NH2 3.1Å; R137-D139 PolarHBondContact O-N 2.79Å; R137-E140 HydrophobicContact CB-CB 4.04Å; R137-E140 WeakPolarHBondContact CD-OE2 3.5Å; R137-E140 IonicContact CZ-OE2 3.32Å; R137-E140 IonicContact NE-OE2 3.81Å; R137-E140 IonicContact NH1-OE2 3.78Å; R137-E140 PolarHBondContact NH1-OE2 2.73Å; R137-E140 PolarHBondContact O-N 2.92Å
138E61.3Low82.5Confident191 Ų19165.8 Ų65.889%0.89332%0.321SS*.THydrogen-bonded Turntrans-60125.3172.2-79.5-175.915300108.9E140E138-E140 PolarHBondContact O-N 3.34Å
139D70.6Confident82.1Confident174 Ų17470.9 Ų70.993%0.9334%0.335SS*.THydrogen-bonded Turntrans718.2178-53.9-38.1000118R137R137-D139 PolarHBondContact O-N 2.79Å
140E77.9Confident81.2Confident117 Ų11772.7 Ų72.755%0.54735%0.353SS..SBendtrans-117.6161.4170.6-65.7-175.1162.200111.4R137 E138R137-E140 HydrophobicContact CB-CB 4.04Å; R137-E140 WeakPolarHBondContact CD-OE2 3.5Å; R137-E140 IonicContact CZ-OE2 3.32Å; R137-E140 IonicContact NE-OE2 3.81Å; R137-E140 IonicContact NH1-OE2 3.78Å; R137-E140 PolarHBondContact NH1-OE2 2.73Å; R137-E140 PolarHBondContact O-N 2.92Å; E138-E140 PolarHBondContact O-N 3.34Å
141E81Confident80Confident97 Ų9779.8 Ų79.845%0.45338%0.384SS..  trans-66.7133.3173.8-172.4-179.1178.200110.2M143 P161 S163E141-M143 WeakPolarHBondContact O-CG 3.47Å; E141-M143 PolarHBondContact O-N 3.16Å; E141-P161 VanDerWaalsContact CD-CB 3.48Å; E141-P161 HydrophobicContact CG-CB 4.36Å; E141-P161 WeakPolarHBondContact OE1-CB 3.08Å; E141-S163 WeakPolarHBondContact OE1-CB 3.28Å; E141-S163 PolarHBondContact OE1-N 2.82Å; E141-S163 PolarHBondContact OE1-OG 3.31Å
142D85.1Confident78.6Confident54 Ų5485.7 Ų85.729%0.28942%0.42SS..  trans-62135177.9-70.8-16.9000110.7K136 L162K136-D142 WeakPolarHBondContact CA-OD1 3.24Å; D142-L162 HydrophobicContact CB-CD1 3.4Å; D142-L162 HydrophobicContact CB-CG 4.5Å; D142-L162 WeakPolarHBondContact O-CD1 3.38Å; D142-L162 PolarHBondContact O-N 3.16Å
143M86.4Confident77.2Confident47 Ų4791.9 Ų91.923%0.23245%0.448CS..EExtended strand (participates in β ladder)trans-116.9143.5-176.1-60.7-66.4-74.700110.9E135 E141 C159 P161E135-M143 HydrophobicContact CB-CB 4.48Å; E135-M143 PolarHBondContact N-O 2.87Å; E135-M143 PolarHBondContact O-N 2.82Å; E141-M143 WeakPolarHBondContact O-CG 3.47Å; E141-M143 PolarHBondContact O-N 3.16Å; M143-C159 HydrophobicContact CB-CB 4.37Å; M143-C159 HydrophobicContact CE-CB 3.88Å; M143-P161 HydrophobicContact CE-CG 3.96Å; M143-P161 VanDerWaalsContact SD-CA 3.52Å; M143-P161 HydrophobicContact SD-CB 3.82Å; M143-P161 HydrophobicContact SD-CG 3.8Å
144V87.3Confident76.4Confident0 Ų093.3 Ų93.30%046%0.462CS..EExtended strand (participates in β ladder)trans-106.8119.6176.8-172.80000108.8V91 L95 V131 C159 I160 L162V91-V144 HydrophobicContact CG1-CG2 4.06Å; L95-V144 HydrophobicContact CD1-CG1 4.47Å; L95-V144 HydrophobicContact CD1-CG2 3.62Å; V131-V144 HydrophobicContact CB-CG1 4.22Å; V131-V144 HydrophobicContact CG1-CG1 3.43Å; V131-V144 VanDerWaalsContact CG1-CG1 3.43Å; V131-V144 HydrophobicContact CG2-CG1 3.77Å; V144-C159 CarbonylContact O-C 3.53Å; V144-C159 VanDerWaalsContact O-CA 3.32Å; V144-C159 WeakPolarHBondContact O-CA 3.45Å; V144-I160 PolarHBondContact N-O 2.86Å; V144-I160 PolarHBondContact O-N 3.05Å; V144-L162 HydrophobicContact CG2-CD1 3.45Å; V144-L162 VanDerWaalsContact CG2-CD1 3.45Å; V144-L162 HydrophobicContact CG2-CD2 4.45Å; V144-L162 HydrophobicContact CG2-CG 3.54Å
145R87.5Confident76.2Confident92 Ų9294.9 Ų94.935%0.34748%0.476SS..EExtended strand (participates in β ladder)trans-85119.2175.5-171.9174.5174.6-176.6-2.4109.3L132 S133 E157 V158L132-R145 PolarHBondContact N-O 3.24Å; S133-R145 PolarHBondContact N-O 3.39Å; S133-R145 PolarHBondContact O-N 3.21Å; R145-E157 IonicContact CZ-OE2 2.67Å; R145-E157 IonicContact NE-OE2 2.71Å; R145-E157 PolarHBondContact NE-OE2 3.43Å; R145-E157 IonicContact NH2-OE1 2.88Å; R145-E157 IonicContact NH2-OE2 3.71Å; R145-E157 PolarHBondContact NH2-OE2 3.32Å; R145-V158 CarbonylContact C-O 3.46Å; R145-V158 WeakPolarHBondContact CA-O 3.25Å
146C87.8Confident76Confident0 Ų095 Ų950%049%0.486CS..EExtended strand (participates in β ladder)trans-122140.9-175.9-62.70000111.3L129 T130 E157 V158 I160L129-C146 HydrophobicContact CB-CB 4.46Å; L129-C146 HydrophobicContact CD2-CB 3.82Å; T130-C146 CarbonylContact O-C 3.59Å; T130-C146 VanDerWaalsContact O-CA 3.27Å; T130-C146 WeakPolarHBondContact O-CA 3.46Å; C146-E157 CarbonylContact O-C 3.52Å; C146-E157 VanDerWaalsContact O-CA 3.31Å; C146-E157 WeakPolarHBondContact O-CA 3.45Å; C146-V158 PolarHBondContact N-O 3.48Å; C146-V158 PolarHBondContact O-N 3.07Å; C146-I160 HydrophobicContact CB-CD1 4.42Å
147H86.9Confident76.3Confident41 Ų4192.9 Ų92.919%0.1948%0.478CS..EExtended strand (participates in β ladder)trans-88.6133.1166-173.8-99.6000110.4T130 L132 S155T130-H147 PolarHBondContact N-O 3.44Å; T130-H147 PolarHBondContact O-N 3.24Å; L132-H147 HydrophobicContact CD1-CB 4.1Å; L132-H147 HydrophobicContact CD2-CB 4.21Å; L132-H147 HydrophobicContact CG-CB 4.19Å; H147-S155 VanDerWaalsContact CE1-CB 3.45Å; H147-S155 WeakPolarHBondContact CE1-CB 3.35Å; H147-S155 WeakPolarHBondContact NE2-CB 3.43Å; H147-S155 PolarHBondContact NE2-OG 3.07Å
148V85.4Confident76.9Confident17 Ų1787.5 Ų87.510%0.10346%0.46CS..EExtended strand (participates in β ladder)trans-123.3126.7177.5-171.60000109.4L123 L129 S155 A156 V158L123-V148 HydrophobicContact CD2-CG1 4.22Å; L123-V148 HydrophobicContact CD2-CG2 4.45Å; L129-V148 HydrophobicContact CD2-CG2 3.44Å; L129-V148 VanDerWaalsContact CD2-CG2 3.44Å; L129-V148 HydrophobicContact CG-CG2 4.47Å; V148-S155 VanDerWaalsContact O-CA 3.31Å; V148-S155 WeakPolarHBondContact O-CA 3.22Å; V148-A156 PolarHBondContact N-O 2.89Å; V148-A156 PolarHBondContact O-N 2.71Å; V148-V158 HydrophobicContact CG2-CG2 4.05Å
149K77.6Confident78.1Confident153 Ų15381 Ų8167%0.66544%0.436SS*.EExtended strand (participates in β ladder)trans-90.7120.4173-68-177-178.8177.80111.3
150G68.8Low78.9Confident38 Ų3872.8 Ų72.839%0.39239%0.391SS..  trans-71.6176.4172.900000112.9T152 A154G150-T152 VanDerWaalsContact C-N 3.35Å; G150-A154 WeakPolarHBondContact CA-O 3.47Å; G150-A154 PolarHBondContact N-O 3.43Å
151Q61.8Low79.4Confident180 Ų18068.7 Ų68.784%0.84138%0.375SS*.THydrogen-bonded Turntrans-74.5-20.4-176.7-73.4178.3-26.100114.2
152T56.4Low79.6Confident123 Ų12365 Ų6576%0.75536%0.359SS*.THydrogen-bonded Turntrans-128.354.8-175.550.10000110.7G150 A154G150-T152 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 3.44Å
153E56.9Low79.6Confident194 Ų19465.5 Ų65.591%0.90737%0.366SS*.SBendtrans58.2-8-179.8-64.3-170.4160.200117.5S155E153-S155 PolarHBondContact O-N 3.39Å
154A66.4Low79.6Confident65 Ų6564 Ų6454%0.53736%0.36SS..  trans-64.3120.617200000109.9G150 T152G150-A154 WeakPolarHBondContact CA-O 3.47Å; G150-A154 PolarHBondContact N-O 3.43Å; T152-A154 PolarHBondContact O-N 3.44Å
155S77.6Confident79.5Confident74 Ų7473.5 Ų73.552%0.51740%0.396SS..EExtended strand (participates in β ladder)trans-106.2144.9172.860.90000111.9H147 V148 E153H147-S155 VanDerWaalsContact CE1-CB 3.45Å; H147-S155 WeakPolarHBondContact CE1-CB 3.35Å; H147-S155 WeakPolarHBondContact NE2-CB 3.43Å; H147-S155 PolarHBondContact NE2-OG 3.07Å; V148-S155 VanDerWaalsContact O-CA 3.31Å; V148-S155 WeakPolarHBondContact O-CA 3.22Å; E153-S155 PolarHBondContact O-N 3.39Å
156A80.3Confident79.4Confident55 Ų5570 Ų7046%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-127.9149.7173.700000110V148V148-A156 PolarHBondContact N-O 2.89Å; V148-A156 PolarHBondContact O-N 2.71Å
157E85.9Confident79.5Confident105 Ų10575 Ų7549%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-103.2140.2168.7-68.3-179.6-172.300109.8L132 R145 C146L132-E157 HydrophobicContact CD1-CG 4.09Å; R145-E157 IonicContact CZ-OE2 2.67Å; R145-E157 IonicContact NE-OE2 2.71Å; R145-E157 PolarHBondContact NE-OE2 3.43Å; R145-E157 IonicContact NH2-OE1 2.88Å; R145-E157 IonicContact NH2-OE2 3.71Å; R145-E157 PolarHBondContact NH2-OE2 3.32Å; C146-E157 CarbonylContact O-C 3.52Å; C146-E157 VanDerWaalsContact O-CA 3.31Å; C146-E157 WeakPolarHBondContact O-CA 3.45Å
158V85.8Confident79.6Confident20 Ų2073.1 Ų73.112%0.12140%0.403CS..EExtended strand (participates in β ladder)trans-138.2137.3-171.3177.40000108.4L121 R145 C146 V148 I160L121-V158 HydrophobicContact CD2-CB 3.9Å; L121-V158 HydrophobicContact CD2-CG1 3.21Å; L121-V158 HydrophobicContact CD2-CG2 3.45Å; L121-V158 VanDerWaalsContact CD2-CG2 3.45Å; R145-V158 CarbonylContact C-O 3.46Å; R145-V158 WeakPolarHBondContact CA-O 3.25Å; C146-V158 PolarHBondContact N-O 3.48Å; C146-V158 PolarHBondContact O-N 3.07Å; V148-V158 HydrophobicContact CG2-CG2 4.05Å; V158-I160 HydrophobicContact CG1-CD1 4.48Å; V158-I160 HydrophobicContact CG1-CG1 3.88Å
159C86.1Confident79.6Confident56 Ų5673.4 Ų73.438%0.37841%0.406SS..EExtended strand (participates in β ladder)trans-97.7125.9168.5-58.60000110.1M143 V144M143-C159 HydrophobicContact CB-CB 4.37Å; M143-C159 HydrophobicContact CE-CB 3.88Å; V144-C159 CarbonylContact O-C 3.53Å; V144-C159 VanDerWaalsContact O-CA 3.32Å; V144-C159 WeakPolarHBondContact O-CA 3.45Å
160I87.4Confident80.1Confident0 Ų066.8 Ų66.80%038%0.377CS..EExtended strand (participates in β ladder)trans-117.4130.5-177.8-62172.6000109F118 L129 V144 C146 V158 S164F118-I160 HydrophobicContact CD1-CG2 3.66Å; F118-I160 HydrophobicContact CD2-CD1 3.86Å; F118-I160 HydrophobicContact CD2-CG1 3.8Å; F118-I160 HydrophobicContact CD2-CG2 4.31Å; F118-I160 HydrophobicContact CE1-CG2 3.43Å; F118-I160 VanDerWaalsContact CE1-CG2 3.43Å; F118-I160 HydrophobicContact CE2-CD1 3.56Å; F118-I160 HydrophobicContact CE2-CG1 3.95Å; F118-I160 HydrophobicContact CE2-CG2 4.08Å; F118-I160 HydrophobicContact CG-CG1 4.08Å; F118-I160 HydrophobicContact CG-CG2 4.09Å; F118-I160 HydrophobicContact CZ-CD1 4.07Å; F118-I160 HydrophobicContact CZ-CG1 4.38Å; F118-I160 HydrophobicContact CZ-CG2 3.63Å; L129-I160 HydrophobicContact CD1-CD1 4.29Å; L129-I160 HydrophobicContact CD2-CD1 3.73Å; V144-I160 PolarHBondContact N-O 2.86Å; V144-I160 PolarHBondContact O-N 3.05Å; C146-I160 HydrophobicContact CB-CD1 4.42Å; V158-I160 HydrophobicContact CG1-CD1 4.48Å; V158-I160 HydrophobicContact CG1-CG1 3.88Å; I160-S164 WeakPolarHBondContact CG2-OG 3.3Å
161P88.1Confident80.7Confident31 Ų3167.1 Ų67.120%0.20137%0.373CS..EExtended strand (participates in β ladder)trans-63.5139.5176.9-15.526.3000112.2E141 M143 S163 S164E141-P161 VanDerWaalsContact CD-CB 3.48Å; E141-P161 HydrophobicContact CG-CB 4.36Å; E141-P161 WeakPolarHBondContact OE1-CB 3.08Å; M143-P161 HydrophobicContact CE-CG 3.96Å; M143-P161 VanDerWaalsContact SD-CA 3.52Å; M143-P161 HydrophobicContact SD-CB 3.82Å; M143-P161 HydrophobicContact SD-CG 3.8Å; P161-S163 VanDerWaalsContact C-N 3.26Å; P161-S163 PolarHBondContact O-N 2.96Å; P161-S164 WeakPolarHBondContact O-CB 3.43Å; P161-S164 PolarHBondContact O-N 3.12Å; P161-S164 VanDerWaalsContact O-N 3.1Å; P161-S164 PolarHBondContact O-OG 2.72Å
162L85.4Confident81.5Confident21 Ų2163.7 Ų63.711%0.1136%0.357CS..THydrogen-bonded Turntrans-61-33.3179.5-95.3107.5000113E92 L95 I134 D142 V144 S164E92-L162 HydrophobicContact CB-CB 4.28Å; E92-L162 HydrophobicContact CB-CD2 4.27Å; E92-L162 WeakPolarHBondContact CB-O 3.48Å; E92-L162 HydrophobicContact CG-CD2 4.37Å; E92-L162 PolarHBondContact N-O 2.92Å; L95-L162 HydrophobicContact CD1-CD2 3.68Å; L95-L162 HydrophobicContact CD1-CG 4.07Å; I134-L162 HydrophobicContact CG2-CD1 3.92Å; D142-L162 HydrophobicContact CB-CD1 3.4Å; D142-L162 HydrophobicContact CB-CG 4.5Å; D142-L162 WeakPolarHBondContact O-CD1 3.38Å; D142-L162 PolarHBondContact O-N 3.16Å; V144-L162 HydrophobicContact CG2-CD1 3.45Å; V144-L162 VanDerWaalsContact CG2-CD1 3.45Å; V144-L162 HydrophobicContact CG2-CD2 4.45Å; V144-L162 HydrophobicContact CG2-CG 3.54Å; L162-S164 PolarHBondContact O-N 3.32Å; L162-S164 VanDerWaalsContact O-N 3.07Å
163S85.1Confident82.3Confident64 Ų6459.1 Ų59.145%0.44833%0.33SS..THydrogen-bonded Turntrans-70.5-3.117978.40000114E141 P161 R165E141-S163 WeakPolarHBondContact OE1-CB 3.28Å; E141-S163 PolarHBondContact OE1-N 2.82Å; E141-S163 PolarHBondContact OE1-OG 3.31Å; P161-S163 VanDerWaalsContact C-N 3.26Å; P161-S163 PolarHBondContact O-N 2.96Å; S163-R165 PolarHBondContact O-N 3.06Å; S163-R165 VanDerWaalsContact O-N 3.16Å
164S86.3Confident83.2Confident15 Ų1557.2 Ų57.211%0.10532%0.321CS..  trans-52.5119.7178.5-71.90000111.8S90 V91 F118 I160 P161 L162 F168S90-S164 VanDerWaalsContact CA-O 3.22Å; S90-S164 WeakPolarHBondContact CA-O 3.41Å; S90-S164 WeakPolarHBondContact CB-O 3.27Å; V91-S164 PolarHBondContact N-O 3.09Å; F118-S164 VanDerWaalsContact CE1-OG 3.29Å; F118-S164 WeakPolarHBondContact CE1-OG 3.39Å; I160-S164 WeakPolarHBondContact CG2-OG 3.3Å; P161-S164 WeakPolarHBondContact O-CB 3.43Å; P161-S164 PolarHBondContact O-N 3.12Å; P161-S164 VanDerWaalsContact O-N 3.1Å; P161-S164 PolarHBondContact O-OG 2.72Å; L162-S164 PolarHBondContact O-N 3.32Å; L162-S164 VanDerWaalsContact O-N 3.07Å; S164-F168 WeakPolarHBondContact O-CE2 3.21Å
165R86.5Confident83.8Confident200 Ų20056.6 Ų56.676%0.75531%0.307SS*.EExtended strand (participates in β ladder)trans-92.9147.6177.3-67.3-175.6174.3-114.8-2.5111.9T89 S163T89-R165 VanDerWaalsContact O-CA 3.27Å; T89-R165 WeakPolarHBondContact O-CA 3.5Å; S163-R165 PolarHBondContact O-N 3.06Å; S163-R165 VanDerWaalsContact O-N 3.16Å
166G85.4Confident84.1Confident19 Ų1955.4 Ų55.420%0.19630%0.299CS..EExtended strand (participates in β ladder)trans175.2-171.3-178.100000111.5T89 F168T89-G166 CarbonylContact C-O 3.55Å; T89-G166 WeakPolarHBondContact CA-O 3.46Å; T89-G166 PolarHBondContact O-N 2.76Å; G166-F168 VanDerWaalsContact CA-CE2 3.45Å; G166-F168 VanDerWaalsContact N-CE2 3.29Å
167E88.9Confident84.5Confident105 Ų10554 Ų5449%0.49128%0.282SS..EExtended strand (participates in β ladder)trans-108.591.5171.8-70.9176.517800107.1P87 S112 H113P87-E167 HydrophobicContact CB-CB 4.16Å; P87-E167 HydrophobicContact CG-CB 4.41Å; S112-E167 CarbonylContact C-O 3.58Å; S112-E167 WeakPolarHBondContact CA-O 3.14Å; H113-E167 HydrophobicContact CB-CB 3.99Å; H113-E167 PolarHBondContact CD2-O 2.82Å; H113-E167 PolarHBondContact N-O 2.91Å
168F88.7Confident84.6Confident0 Ų051.1 Ų51.10%027%0.271CS..EExtended strand (participates in β ladder)trans-103.4136.5-173.6-55.8-70.9000111.1P87 Y88 V91 M94 F110 V111 V116 S164 G166P87-F168 CarbonylContact C-O 3.5Å; P87-F168 VanDerWaalsContact CA-O 3.24Å; P87-F168 WeakPolarHBondContact CA-O 3.45Å; Y88-F168 WeakPolarHBondContact CD2-O 3.32Å; Y88-F168 PolarHBondContact N-O 2.81Å; Y88-F168 PolarHBondContact O-N 3.4Å; V91-F168 HydrophobicContact CG2-CD2 4.2Å; V91-F168 HydrophobicContact CG2-CE1 4.22Å; V91-F168 HydrophobicContact CG2-CE2 3.75Å; V91-F168 HydrophobicContact CG2-CZ 3.77Å; M94-F168 HydrophobicContact SD-CB 4.26Å; F110-F168 HydrophobicContact CD2-CB 4.34Å; F110-F168 AromaticContact CD2-CD1 3.91Å; F110-F168 HydrophobicContact CD2-CD1 3.91Å; F110-F168 HydrophobicContact CD2-CG 4.44Å; F110-F168 AromaticContact CE2-CD1 3.7Å; F110-F168 HydrophobicContact CE2-CD1 3.7Å; F110-F168 HydrophobicContact CE2-CE1 4.1Å; F110-F168 HydrophobicContact CE2-CG 4.43Å; V111-F168 CarbonylContact O-C 3.58Å; V111-F168 WeakPolarHBondContact O-CA 3.36Å; V116-F168 HydrophobicContact CG2-CE1 4.34Å; S164-F168 WeakPolarHBondContact O-CE2 3.21Å; G166-F168 VanDerWaalsContact CA-CE2 3.45Å; G166-F168 VanDerWaalsContact N-CE2 3.29Å
169S86.9Confident84.8Confident23 Ų2350.2 Ų50.216%0.16127%0.266CS..EExtended strand (participates in β ladder)trans-127.2137172.468.10000110.7F110 V111 H113F110-S169 CarbonylContact C-O 3.41Å; F110-S169 WeakPolarHBondContact CA-O 3.44Å; F110-S169 WeakPolarHBondContact CB-O 3.42Å; V111-S169 WeakPolarHBondContact CG2-OG 3.34Å; V111-S169 PolarHBondContact N-O 3.22Å; V111-S169 PolarHBondContact O-N 3.33Å; H113-S169 WeakPolarHBondContact NE2-CB 3.38Å; H113-S169 PolarHBondContact NE2-OG 3.26Å; H113-S169 VanDerWaalsContact NE2-OG 3.11Å
170E86.9Confident84.9Confident14 Ų1455.1 Ų55.17%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-69.1138.1173.2-70.9174.2-89.400110.9P83 Y88 M94 R98 R191P83-E170 HydrophobicContact CB-CB 4.25Å; Y88-E170 HydrophobicContact CE2-CG 3.87Å; Y88-E170 VanDerWaalsContact CE2-OE1 3.27Å; Y88-E170 WeakPolarHBondContact CE2-OE1 3.46Å; Y88-E170 VanDerWaalsContact CZ-OE1 3.29Å; Y88-E170 PolarHBondContact OH-OE1 2.84Å; M94-E170 HydrophobicContact CG-CG 3.79Å; M94-E170 HydrophobicContact SD-CG 3.83Å; R98-E170 IonicContact CZ-OE2 2.88Å; R98-E170 VanDerWaalsContact CZ-OE2 3.26Å; R98-E170 IonicContact NE-OE2 3.97Å; R98-E170 PolarHBondContact NE-OE2 3.39Å; R98-E170 IonicContact NH2-OE2 3.86Å; R98-E170 PolarHBondContact NH2-OE2 2.85Å; E170-R191 IonicContact OE1-CZ 3.93Å; E170-R191 IonicContact OE1-NH1 2.72Å; E170-R191 IonicContact OE1-NH2 3.08Å; E170-R191 PolarHBondContact OE1-NH2 3.27Å; E170-R191 IonicContact OE2-NH2 3.81Å
171C82.7Confident84.9Confident45 Ų4559.8 Ų59.830%0.30430%0.303SS..PPolyproline II helixtrans-76.3151165.3-63.30000109.5T109 S173T109-C171 HydrophobicContact CG2-CB 4.35Å; T109-C171 VanDerWaalsContact O-CB 3.32Å; T109-C171 WeakPolarHBondContact O-CB 3.36Å; T109-C171 PolarHBondContact O-N 2.8Å; C171-S173 PolarHBondContact O-N 3.13Å
172E77.6Confident84.9Confident109 Ų10958.3 Ų58.351%0.50929%0.293SS..PPolyproline II helixtrans-60128.2174.7-168.9167-154.300110.1P83 R194P83-E172 HydrophobicContact CG-CB 4.2Å; E172-R194 IonicContact OE1-CZ 3.6Å; E172-R194 IonicContact OE1-NH1 3.62Å; E172-R194 PolarHBondContact OE1-NH1 3Å
173S74.4Confident85.1Confident26 Ų2658 Ų5818%0.18229%0.291CS..PPolyproline II helixtrans-88.5146.5178.9-1740000110.7C171 E175C171-S173 PolarHBondContact O-N 3.13Å; S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 WeakPolarHBondContact OG-CB 3.37Å; S173-E175 WeakPolarHBondContact OG-CG 3.34Å; S173-E175 PolarHBondContact OG-N 2.88Å; S173-E175 VanDerWaalsContact OG-N 3.13Å
174E74Confident85.1Confident155 Ų15558.9 Ų58.972%0.72430%0.302SS*.  trans-79.3-12.5169.5-69.9-60150.500112.7K80K80-E174 WeakPolarHBondContact CE-O 3.5Å; K80-E174 IonicContact NZ-OE2 2.74Å; K80-E174 PolarHBondContact NZ-OE2 3.31Å
175E79.2Confident84.9Confident52 Ų5258.9 Ų58.924%0.24330%0.303CS..  trans-61.5137.4178.1-70.3176.8-165.700111.8K80 S173 Y177K80-E175 WeakPolarHBondContact CG-O 3.36Å; S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 WeakPolarHBondContact OG-CB 3.37Å; S173-E175 WeakPolarHBondContact OG-CG 3.34Å; S173-E175 PolarHBondContact OG-N 2.88Å; S173-E175 VanDerWaalsContact OG-N 3.13Å; E175-Y177 HydrophobicContact CB-CE2 4.32Å; E175-Y177 PolarHBondContact OE2-OH 2.76Å
176S85.4Confident84.6Confident48 Ų4853.6 Ų53.634%0.33629%0.294SS..EExtended strand (participates in β ladder)trans-127.9135.1179.268.30000110.3F79F79-S176 CarbonylContact O-C 3.6Å; F79-S176 WeakPolarHBondContact O-CA 3.49Å
177Y87.1Confident84.3Confident27 Ų2753.8 Ų53.811%0.10629%0.292CS..EExtended strand (participates in β ladder)trans-110.9146.4-176.3-53-84.3000110.4F79 V81 E175 E181 L188 F193F79-Y177 PolarHBondContact N-O 2.63Å; F79-Y177 PolarHBondContact O-N 2.77Å; V81-Y177 HydrophobicContact CG2-CD2 3.89Å; V81-Y177 HydrophobicContact CG2-CE2 3.51Å; E175-Y177 HydrophobicContact CB-CE2 4.32Å; E175-Y177 PolarHBondContact OE2-OH 2.76Å; Y177-E181 WeakPolarHBondContact CA-OE2 3.26Å; Y177-L188 HydrophobicContact CD1-CD1 3.88Å; Y177-L188 HydrophobicContact CD2-CD2 4.49Å; Y177-L188 HydrophobicContact CE1-CD1 4.21Å; Y177-L188 HydrophobicContact CE1-CD2 4.47Å; Y177-L188 HydrophobicContact CE2-CD2 4.29Å; Y177-L188 HydrophobicContact CG-CD1 4.2Å; Y177-F193 HydrophobicContact CD2-CE1 4.08Å
178T89.6Confident84Confident43 Ų4349 Ų4926%0.26427%0.27SS..EExtended strand (participates in β ladder)trans-77.5157.6166.664.40000110.1L78 K180 E181 I182L78-T178 HydrophobicContact CD2-CG2 3.92Å; T178-K180 PolarHBondContact O-N 3.08Å; T178-E181 WeakPolarHBondContact CB-OE2 3.38Å; T178-E181 PolarHBondContact N-OE2 2.83Å; T178-E181 PolarHBondContact O-N 3.34Å; T178-E181 VanDerWaalsContact OG1-CG 3.32Å; T178-E181 WeakPolarHBondContact OG1-CG 3.49Å; T178-E181 PolarHBondContact OG1-N 3.19Å; T178-E181 PolarHBondContact OG1-OE2 3.3Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 2.73Å; T178-I182 VanDerWaalsContact O-N 3.11Å
179L89.9Confident83.8Confident1 Ų152.1 Ų52.11%0.00528%0.282CS..Hα-helixtrans-54.7-36.2174.7-161.2105.8000112V58 L71 F79 I182 M183V58-L179 HydrophobicContact CB-CD1 4Å; V58-L179 HydrophobicContact CB-CD2 3.93Å; V58-L179 HydrophobicContact CB-CG 4.22Å; V58-L179 HydrophobicContact CG1-CD1 4.04Å; V58-L179 HydrophobicContact CG1-CG 4.48Å; V58-L179 HydrophobicContact CG2-CD1 4.19Å; V58-L179 HydrophobicContact CG2-CD2 3.4Å; V58-L179 HydrophobicContact CG2-CG 3.84Å; L71-L179 HydrophobicContact CB-CD1 4.31Å; L71-L179 HydrophobicContact CD1-CD1 4.09Å; F79-L179 HydrophobicContact CE2-CB 4.32Å; F79-L179 HydrophobicContact CE2-CD1 3.96Å; F79-L179 HydrophobicContact CZ-CD1 4.06Å; L179-I182 PolarHBondContact O-N 2.57Å; L179-M183 VanDerWaalsContact O-CG 3.28Å; L179-M183 WeakPolarHBondContact O-CG 3.29Å; L179-M183 PolarHBondContact O-N 2.73Å
180K88.3Confident83.7Confident160 Ų16054.5 Ų54.570%0.69630%0.299SS*.Hα-helixtrans-66.6-44.2180-171.5-179.8178.7-175.90112.3T178 I182 M183 A184T178-K180 PolarHBondContact O-N 3.08Å; K180-I182 VanDerWaalsContact C-N 3.34Å; K180-M183 PolarHBondContact O-N 3.4Å; K180-A184 WeakPolarHBondContact O-CB 3.4Å; K180-A184 PolarHBondContact O-N 3.03Å
181E87.3Confident83.6Confident97 Ų9754.3 Ų54.345%0.45330%0.297SS..Hα-helixtrans-64-41.6176.7-72.1156.4164.400111Y177 T178 A184 S185Y177-E181 WeakPolarHBondContact CA-OE2 3.26Å; T178-E181 WeakPolarHBondContact CB-OE2 3.38Å; T178-E181 PolarHBondContact N-OE2 2.83Å; T178-E181 PolarHBondContact O-N 3.34Å; T178-E181 VanDerWaalsContact OG1-CG 3.32Å; T178-E181 WeakPolarHBondContact OG1-CG 3.49Å; T178-E181 PolarHBondContact OG1-N 3.19Å; T178-E181 PolarHBondContact OG1-OE2 3.3Å; E181-A184 PolarHBondContact O-N 2.85Å; E181-S185 PolarHBondContact O-N 2.79Å
182I88.3Confident83.9Confident0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-61.3-48.1176.5-60.9169.9000110.1F79 T178 L179 K180 A184 S185 L188 R189 F193 L207F79-I182 HydrophobicContact CB-CD1 3.79Å; F79-I182 HydrophobicContact CD2-CD1 4.12Å; F79-I182 HydrophobicContact CG-CD1 4.08Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 2.73Å; T178-I182 VanDerWaalsContact O-N 3.11Å; L179-I182 PolarHBondContact O-N 2.57Å; K180-I182 VanDerWaalsContact C-N 3.34Å; I182-A184 VanDerWaalsContact C-N 3.3Å; I182-A184 PolarHBondContact O-N 3.03Å; I182-S185 PolarHBondContact O-N 2.53Å; I182-S185 VanDerWaalsContact O-O 3.12Å; I182-L188 HydrophobicContact CB-CB 4.37Å; I182-L188 HydrophobicContact CG1-CD1 4.43Å; I182-L188 HydrophobicContact CG2-CB 4.1Å; I182-R189 VanDerWaalsContact O-CG 3.25Å; I182-R189 WeakPolarHBondContact O-CG 3.33Å; I182-F193 HydrophobicContact CB-CZ 4.44Å; I182-F193 HydrophobicContact CD1-CD1 3.76Å; I182-F193 HydrophobicContact CD1-CD2 4.29Å; I182-F193 HydrophobicContact CD1-CE1 3.5Å; I182-F193 HydrophobicContact CD1-CE2 4.08Å; I182-F193 HydrophobicContact CD1-CG 4.15Å; I182-F193 HydrophobicContact CD1-CZ 3.7Å; I182-F193 HydrophobicContact CG1-CE1 3.82Å; I182-F193 HydrophobicContact CG1-CE2 4.38Å; I182-F193 HydrophobicContact CG1-CZ 3.73Å; I182-F193 HydrophobicContact CG2-CE2 3.8Å; I182-F193 HydrophobicContact CG2-CZ 3.83Å; I182-L207 HydrophobicContact CD1-CD1 3.71Å; I182-L207 HydrophobicContact CG2-CD1 4.29Å
183M89.1Confident84.5Confident14 Ų1450.8 Ų50.87%0.06927%0.273CS..Hα-helixtrans-68.5-27.2-178.9-66.7-5712100113.6L55 V58 L179 K180 S185 L207 P209L55-M183 HydrophobicContact CD2-CB 4.01Å; L55-M183 HydrophobicContact CD2-CG 4.01Å; V58-M183 HydrophobicContact CB-CE 4.44Å; V58-M183 HydrophobicContact CG1-CE 3.63Å; V58-M183 HydrophobicContact CG1-SD 4.34Å; V58-M183 HydrophobicContact CG2-CE 3.87Å; V58-M183 HydrophobicContact CG2-CG 3.65Å; V58-M183 HydrophobicContact CG2-SD 3.64Å; L179-M183 VanDerWaalsContact O-CG 3.28Å; L179-M183 WeakPolarHBondContact O-CG 3.29Å; L179-M183 PolarHBondContact O-N 2.73Å; K180-M183 PolarHBondContact O-N 3.4Å; M183-S185 VanDerWaalsContact C-N 3.35Å; M183-L207 HydrophobicContact CE-CB 3.88Å; M183-P209 HydrophobicContact SD-CB 3.7Å; M183-P209 HydrophobicContact SD-CG 4.28Å
184A84.4Confident85.2Confident83 Ų8352.7 Ų52.769%0.68628%0.276SS*.Hα-helixtrans-75.2-22.817700000113.3K180 E181 I182K180-A184 WeakPolarHBondContact O-CB 3.4Å; K180-A184 PolarHBondContact O-N 3.03Å; E181-A184 PolarHBondContact O-N 2.85Å; I182-A184 VanDerWaalsContact C-N 3.3Å; I182-A184 PolarHBondContact O-N 3.03Å
185S82.4Confident85.7Confident16 Ų1647.8 Ų47.811%0.11225%0.252CS..  trans-107.6116.3-174.9175.50000112.1E181 I182 M183 C187 L188 R189E181-S185 PolarHBondContact O-N 2.79Å; I182-S185 PolarHBondContact O-N 2.53Å; I182-S185 VanDerWaalsContact O-O 3.12Å; M183-S185 VanDerWaalsContact C-N 3.35Å; S185-C187 PolarHBondContact O-N 2.88Å; S185-L188 PolarHBondContact O-N 2.86Å; S185-L188 VanDerWaalsContact O-N 3.17Å; S185-L188 PolarHBondContact OG-N 3.31Å; S185-R189 WeakPolarHBondContact O-CG 3.35Å; S185-R189 PolarHBondContact O-N 2.79Å; S185-R189 VanDerWaalsContact O-N 3.07Å
186P79.6Confident85.7Confident88 Ų8848.4 Ų48.457%0.57126%0.26SS*.Hα-helixtrans-55.3-37.7173.5-24.734.1000113.2R189P186-R189 PolarHBondContact O-N 3.36Å
187C78.9Confident84.7Confident24 Ų2454 Ų5416%0.16228%0.278CS..Hα-helixtrans-67-40.2178.3-53.20000111.9R98 S185 S190 R191R98-C187 WeakPolarHBondContact O-CB 3.26Å; R98-C187 PolarHBondContact O-SG 2.91Å; S185-C187 PolarHBondContact O-N 2.88Å; C187-S190 PolarHBondContact O-N 2.85Å; C187-S190 PolarHBondContact O-OG 2.89Å; C187-R191 WeakPolarHBondContact O-CG 3.31Å
188L83.4Confident83.1Confident5 Ų555.6 Ų55.63%0.02629%0.29CS..Hα-helixtrans-71-33.6177.9-69.2177.1000112.1V81 P99 Y177 I182 S185 S190 R191 F193V81-L188 HydrophobicContact CG2-CD2 4.22Å; P99-L188 HydrophobicContact CB-CD1 4.2Å; P99-L188 HydrophobicContact CB-CD2 4.33Å; P99-L188 HydrophobicContact CB-CG 3.97Å; P99-L188 HydrophobicContact CG-CD1 4.42Å; P99-L188 HydrophobicContact CG-CD2 3.97Å; P99-L188 HydrophobicContact CG-CG 4.17Å; Y177-L188 HydrophobicContact CD1-CD1 3.88Å; Y177-L188 HydrophobicContact CD2-CD2 4.49Å; Y177-L188 HydrophobicContact CE1-CD1 4.21Å; Y177-L188 HydrophobicContact CE1-CD2 4.47Å; Y177-L188 HydrophobicContact CE2-CD2 4.29Å; Y177-L188 HydrophobicContact CG-CD1 4.2Å; I182-L188 HydrophobicContact CB-CB 4.37Å; I182-L188 HydrophobicContact CG1-CD1 4.43Å; I182-L188 HydrophobicContact CG2-CB 4.1Å; S185-L188 PolarHBondContact O-N 2.86Å; S185-L188 VanDerWaalsContact O-N 3.17Å; S185-L188 PolarHBondContact OG-N 3.31Å; L188-S190 PolarHBondContact O-N 3.5Å; L188-R191 WeakPolarHBondContact O-CB 3.4Å; L188-R191 PolarHBondContact O-N 3.04Å; L188-F193 HydrophobicContact CB-CZ 4.17Å; L188-F193 HydrophobicContact CD2-CZ 4.24Å; L188-F193 WeakPolarHBondContact O-CE2 3.48Å; L188-F193 WeakPolarHBondContact O-CZ 3.48Å
189R85.4Confident81.2Confident65 Ų6561 Ų6125%0.24532%0.324CS..Hα-helixtrans-63.5-22.8177.8-71.6-171-68159-0.7113.9A9 I182 S185 P186 R191A9-R189 PolarHBondContact O-NH1 2.79Å; I182-R189 VanDerWaalsContact O-CG 3.25Å; I182-R189 WeakPolarHBondContact O-CG 3.33Å; S185-R189 WeakPolarHBondContact O-CG 3.35Å; S185-R189 PolarHBondContact O-N 2.79Å; S185-R189 VanDerWaalsContact O-N 3.07Å; P186-R189 PolarHBondContact O-N 3.36Å; R189-R191 VanDerWaalsContact C-N 3.32Å
190S83.1Confident79.2Confident73 Ų7370.2 Ų70.251%0.5136%0.364SS..THydrogen-bonded Turntrans-86.5-1.7174.663.30000113.5C187 L188C187-S190 PolarHBondContact O-N 2.85Å; C187-S190 PolarHBondContact O-OG 2.89Å; L188-S190 PolarHBondContact O-N 3.5Å
191R86.4Confident77.5Confident10 Ų1064.6 Ų64.64%0.03834%0.344CS..SBendtrans-94.9161.4-177.5-57.2-63.2-70.3-168.6-13.4112.7V81 Y88 E170 C187 L188 R189 F193V81-R191 HydrophobicContact CG1-CB 4.31Å; V81-R191 HydrophobicContact CG1-CG 4.46Å; Y88-R191 PolarHBondContact OH-NH1 2.76Å; E170-R191 IonicContact OE1-CZ 3.93Å; E170-R191 IonicContact OE1-NH1 2.72Å; E170-R191 IonicContact OE1-NH2 3.08Å; E170-R191 PolarHBondContact OE1-NH2 3.27Å; E170-R191 IonicContact OE2-NH2 3.81Å; C187-R191 WeakPolarHBondContact O-CG 3.31Å; L188-R191 WeakPolarHBondContact O-CB 3.4Å; L188-R191 PolarHBondContact O-N 3.04Å; R189-R191 VanDerWaalsContact C-N 3.32Å; R191-F193 HydrophobicContact CB-CE2 3.81Å; R191-F193 HydrophobicContact CB-CZ 3.95Å; R191-F193 WeakPolarHBondContact O-CD2 3.15Å; R191-F193 WeakPolarHBondContact O-CE2 3.4Å
192R89.1Confident76.3Confident80 Ų8068 Ų6830%0.30236%0.36SS..EExtended strand (participates in β ladder)trans-96.6146171.2-67.1171.3176.7150.7-6.8110.3V82 E84 I204 L205 V206V82-R192 HydrophobicContact CB-CB 4.23Å; V82-R192 PolarHBondContact N-O 2.84Å; E84-R192 IonicContact OE2-NH1 3.61Å; E84-R192 PolarHBondContact OE2-NH1 3.12Å; E84-R192 VanDerWaalsContact OE2-NH1 3.08Å; R192-I204 HydrophobicContact CB-CG2 3.76Å; R192-I204 HydrophobicContact CG-CG2 4.2Å; R192-L205 WeakPolarHBondContact CA-O 3.27Å; R192-V206 HydrophobicContact CG-CG2 4.13Å
193F89Confident75.8Confident0 Ų072.3 Ų72.30%038%0.376CS..EExtended strand (participates in β ladder)trans-131.6154.3-174.5-67.1-90.2000113.5F79 K80 V81 Y177 I182 L188 R191 L205 L207F79-F193 HydrophobicContact CB-CB 4.05Å; F79-F193 HydrophobicContact CB-CD1 3.73Å; F79-F193 HydrophobicContact CB-CG 4.15Å; F79-F193 HydrophobicContact CD1-CB 4.23Å; K80-F193 CarbonylContact O-C 3.57Å; K80-F193 WeakPolarHBondContact O-CA 3.4Å; V81-F193 HydrophobicContact CB-CE1 4.42Å; V81-F193 HydrophobicContact CG2-CD1 4Å; V81-F193 HydrophobicContact CG2-CE1 3.37Å; V81-F193 HydrophobicContact CG2-CZ 3.96Å; Y177-F193 HydrophobicContact CD2-CE1 4.08Å; I182-F193 HydrophobicContact CB-CZ 4.44Å; I182-F193 HydrophobicContact CD1-CD1 3.76Å; I182-F193 HydrophobicContact CD1-CD2 4.29Å; I182-F193 HydrophobicContact CD1-CE1 3.5Å; I182-F193 HydrophobicContact CD1-CE2 4.08Å; I182-F193 HydrophobicContact CD1-CG 4.15Å; I182-F193 HydrophobicContact CD1-CZ 3.7Å; I182-F193 HydrophobicContact CG1-CE1 3.82Å; I182-F193 HydrophobicContact CG1-CE2 4.38Å; I182-F193 HydrophobicContact CG1-CZ 3.73Å; I182-F193 HydrophobicContact CG2-CE2 3.8Å; I182-F193 HydrophobicContact CG2-CZ 3.83Å; L188-F193 HydrophobicContact CB-CZ 4.17Å; L188-F193 HydrophobicContact CD2-CZ 4.24Å; L188-F193 WeakPolarHBondContact O-CE2 3.48Å; L188-F193 WeakPolarHBondContact O-CZ 3.48Å; R191-F193 HydrophobicContact CB-CE2 3.81Å; R191-F193 HydrophobicContact CB-CZ 3.95Å; R191-F193 WeakPolarHBondContact O-CD2 3.15Å; R191-F193 WeakPolarHBondContact O-CE2 3.4Å; F193-L205 PolarHBondContact N-O 3.23Å; F193-L205 PolarHBondContact O-N 2.88Å; F193-L207 HydrophobicContact CB-CD1 4.34Å; F193-L207 HydrophobicContact CD2-CD1 3.86Å; F193-L207 HydrophobicContact CD2-CG 4.2Å; F193-L207 HydrophobicContact CE2-CD1 4.45Å; F193-L207 HydrophobicContact CG-CD1 4.16Å
194R88.6Confident75.8Confident66 Ų6673.1 Ų73.125%0.24938%0.381CS..EExtended strand (participates in β ladder)trans-119.2142168.7-167.2-178.1-59.4109.4-4110.6F79 K80 V82 E172F79-R194 CarbonylContact C-O 3.45Å; F79-R194 WeakPolarHBondContact CA-O 3.49Å; K80-R194 PolarHBondContact N-O 3.05Å; K80-R194 PolarHBondContact O-N 3.4Å; V82-R194 HydrophobicContact CG2-CB 4.1Å; E172-R194 IonicContact OE1-CZ 3.6Å; E172-R194 IonicContact OE1-NH1 3.62Å; E172-R194 PolarHBondContact OE1-NH1 3Å
195F85.6Confident76Confident52 Ų5269.5 Ų69.523%0.22835%0.35CS..EExtended strand (participates in β ladder)trans-76.3128.4176.8-167.2-110.3000112H75 F79 K197 T198H75-F195 AromaticContact NE2-CE2 3.57Å; F79-F195 HydrophobicContact CD1-CD2 4.37Å; F79-F195 AromaticContact CE1-CD2 3.94Å; F79-F195 HydrophobicContact CE1-CD2 3.94Å; F79-F195 HydrophobicContact CZ-CD2 4.18Å; F79-F195 HydrophobicContact CZ-CE2 4.44Å; F195-K197 HydrophobicContact CD1-CB 4.06Å; F195-K197 HydrophobicContact CE1-CB 3.42Å; F195-K197 VanDerWaalsContact CE1-CB 3.42Å; F195-K197 HydrophobicContact CZ-CB 4.01Å; F195-T198 HydrophobicContact CD1-CG2 4.46Å; F195-T198 HydrophobicContact CE1-CG2 4.5Å
196V78Confident76.4Confident65 Ų6571.2 Ų71.239%0.39436%0.359SS..THydrogen-bonded Turntrans-74.7-28.5-172.4176.30000113.5L78 K80 T198L78-V196 HydrophobicContact CB-CB 4.24Å; L78-V196 HydrophobicContact CB-CG2 4.09Å; L78-V196 WeakPolarHBondContact O-CG2 3.48Å; L78-V196 PolarHBondContact O-N 2.48Å; K80-V196 HydrophobicContact CB-CG2 4.36Å; K80-V196 HydrophobicContact CD-CG2 4Å; K80-V196 HydrophobicContact CG-CG2 3.65Å; V196-T198 PolarHBondContact O-N 3.27Å
197K64.8Low77Confident164 Ų16467.1 Ų67.171%0.71333%0.333SS*.THydrogen-bonded Turntrans-88.5-1.9-163.3-104.8178.8-178.5174.60116.5F195F195-K197 HydrophobicContact CD1-CB 4.06Å; F195-K197 HydrophobicContact CE1-CB 3.42Å; F195-K197 VanDerWaalsContact CE1-CB 3.42Å; F195-K197 HydrophobicContact CZ-CB 4.01Å
198T54.3Low77.5Confident61 Ų6167.6 Ų67.637%0.37434%0.336SS..  trans-129.1109.2-178.146.70000111.2F195 V196 K200 C201F195-T198 HydrophobicContact CD1-CG2 4.46Å; F195-T198 HydrophobicContact CE1-CG2 4.5Å; V196-T198 PolarHBondContact O-N 3.27Å; T198-K200 PolarHBondContact O-N 3.17Å; T198-C201 PolarHBondContact O-N 3.29Å; T198-C201 VanDerWaalsContact O-N 3.15Å; T198-C201 WeakPolarHBondContact OG1-CB 3.29Å
199T49.6Very low78Confident157 Ų15767.7 Ų67.796%0.96334%0.337SS*.THydrogen-bonded Turntrans-58.34.1166.843.40000114.2
200K48.1Very low78.3Confident194 Ų19464.6 Ų64.684%0.84333%0.326SS*.THydrogen-bonded Turntrans-121.5-4.8-179-69.7-173.7175.4-177.40114.9T198T198-K200 PolarHBondContact O-N 3.17Å
201C52.2Low78.7Confident43 Ų4362.5 Ų62.529%0.29131%0.307SS..  trans-118.892.4174-77.60000109.8T198 R203T198-C201 PolarHBondContact O-N 3.29Å; T198-C201 VanDerWaalsContact O-N 3.15Å; T198-C201 WeakPolarHBondContact OG1-CB 3.29Å; C201-R203 HydrophobicContact CB-CB 4.46Å; C201-R203 HydrophobicContact CB-CG 4.06Å; C201-R203 PolarHBondContact O-N 3.24Å
202E62.8Low79Confident169 Ų16963.3 Ų63.379%0.7931%0.311SS*.  trans-75.316.2162.4-67-177163.400112.2I204E202-I204 PolarHBondContact O-N 3.24Å
203R77.7Confident79.1Confident89 Ų8959.5 Ų59.534%0.33630%0.297SS..  trans-60.3121.6-177.6-62.3-176.6176.2-145.91.4109.2D62 E67 C201 L205D62-R203 WeakPolarHBondContact OD2-CB 3.39Å; D62-R203 WeakPolarHBondContact OD2-CD 3.27Å; D62-R203 WeakPolarHBondContact OD2-CG 3.33Å; D62-R203 IonicContact OD2-CZ 3.61Å; D62-R203 IonicContact OD2-NE 3.75Å; D62-R203 IonicContact OD2-NH1 3.76Å; E67-R203 IonicContact OE2-CZ 2.91Å; E67-R203 IonicContact OE2-NH1 2.8Å; E67-R203 PolarHBondContact OE2-NH1 3.27Å; E67-R203 IonicContact OE2-NH2 2.98Å; C201-R203 HydrophobicContact CB-CB 4.46Å; C201-R203 HydrophobicContact CB-CG 4.06Å; C201-R203 PolarHBondContact O-N 3.24Å; R203-L205 HydrophobicContact CB-CD2 4.17Å
204I87.7Confident79.1Confident31 Ų3161.8 Ų61.816%0.15931%0.307CS..EExtended strand (participates in β ladder)trans-89.4118.4173.6-60.2175.9000106.1V63 V82 R192 E202V63-I204 HydrophobicContact CB-CB 4.33Å; V63-I204 HydrophobicContact CB-CG2 4.38Å; V63-I204 HydrophobicContact CG2-CB 4.41Å; V63-I204 HydrophobicContact CG2-CG2 4.02Å; V63-I204 WeakPolarHBondContact CG2-O 3.42Å; V63-I204 PolarHBondContact N-O 3.29Å; V82-I204 HydrophobicContact CG1-CD1 4.4Å; V82-I204 HydrophobicContact CG2-CG2 4.39Å; R192-I204 HydrophobicContact CB-CG2 3.76Å; R192-I204 HydrophobicContact CG-CG2 4.2Å; E202-I204 PolarHBondContact O-N 3.24Å
205L89.9Confident79.1Confident7 Ų758.7 Ų58.74%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-108.8136.6-173.3-57.3176.8000110.5E61 D62 F69 F79 R192 F193 R203 L207E61-L205 CarbonylContact O-C 3.58Å; E61-L205 VanDerWaalsContact O-CA 3.3Å; E61-L205 WeakPolarHBondContact O-CA 3.4Å; D62-L205 HydrophobicContact CB-CD2 3.97Å; F69-L205 HydrophobicContact CE1-CD2 4Å; F69-L205 HydrophobicContact CZ-CD1 4.1Å; F69-L205 HydrophobicContact CZ-CD2 4.08Å; F79-L205 HydrophobicContact CE1-CD1 4.32Å; R192-L205 WeakPolarHBondContact CA-O 3.27Å; F193-L205 PolarHBondContact N-O 3.23Å; F193-L205 PolarHBondContact O-N 2.88Å; R203-L205 HydrophobicContact CB-CD2 4.17Å; L205-L207 HydrophobicContact CB-CD2 4.15Å
206V90.4Very high79Confident52 Ų5256.3 Ų56.332%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-98125.5161.3178.20000107.4E61 V63 R192E61-V206 PolarHBondContact N-O 3.02Å; E61-V206 PolarHBondContact O-N 3.27Å; V63-V206 HydrophobicContact CG2-CG2 3.75Å; R192-V206 HydrophobicContact CG-CG2 4.13Å
207L91.4Very high79.1Confident3 Ų353.8 Ų53.82%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-106.3120.6-176-57.8179.4000109.2V58 S59 C60 F79 I182 M183 F193 L205V58-L207 HydrophobicContact CG1-CB 4Å; V58-L207 HydrophobicContact CG1-CD2 4.33Å; S59-L207 WeakPolarHBondContact O-CA 3.42Å; C60-L207 HydrophobicContact CB-CD2 3.96Å; C60-L207 WeakPolarHBondContact SG-CD2 3.39Å; F79-L207 HydrophobicContact CD1-CD1 4.13Å; F79-L207 HydrophobicContact CE1-CD1 4.29Å; F79-L207 HydrophobicContact CG-CD1 4.37Å; I182-L207 HydrophobicContact CD1-CD1 3.71Å; I182-L207 HydrophobicContact CG2-CD1 4.29Å; M183-L207 HydrophobicContact CE-CB 3.88Å; F193-L207 HydrophobicContact CB-CD1 4.34Å; F193-L207 HydrophobicContact CD2-CD1 3.86Å; F193-L207 HydrophobicContact CD2-CG 4.2Å; F193-L207 HydrophobicContact CE2-CD1 4.45Å; F193-L207 HydrophobicContact CG-CD1 4.16Å; L205-L207 HydrophobicContact CB-CD2 4.15Å
208S91.1Very high79.2Confident33 Ų3348 Ų4823%0.23125%0.246CC..EExtended strand (participates in β ladder)trans-123.6134.8179.552.10000110.5Q5 V58 S59Q5-S208 PolarHBondContact NE2-OG 2.99Å; V58-S208 CarbonylContact C-O 3.55Å; V58-S208 WeakPolarHBondContact CA-O 3.13Å; S59-S208 WeakPolarHBondContact CB-OG 3.47Å; S59-S208 PolarHBondContact N-O 3.36Å; S59-S208 PolarHBondContact O-N 3.3Å; S59-S208 PolarHBondContact O-OG 3.07Å
209P92.6Very high79.6Confident7 Ų753.1 Ų53.15%0.04527%0.268CS..EExtended strand (participates in β ladder)trans-69.8143.8178.729.1-35000111Q5 A9 L55 M183 Y211Q5-P209 PolarHBondContact NE2-O 3.23Å; A9-P209 HydrophobicContact CB-CG 3.75Å; L55-P209 HydrophobicContact CD1-CB 3.59Å; M183-P209 HydrophobicContact SD-CB 3.7Å; M183-P209 HydrophobicContact SD-CG 4.28Å; P209-Y211 HydrophobicContact CB-CD2 4.08Å; P209-Y211 HydrophobicContact CB-CE2 3.4Å; P209-Y211 VanDerWaalsContact CB-CE2 3.4Å; P209-Y211 HydrophobicContact CG-CD2 4.37Å; P209-Y211 HydrophobicContact CG-CE2 3.5Å
210V92.3Very high80.4Confident1 Ų150.3 Ų50.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-115.1115.8167.7-178.80000107.1Q56 S57 P227Q56-V210 WeakPolarHBondContact CB-O 3.45Å; Q56-V210 PolarHBondContact N-O 2.98Å; S57-V210 PolarHBondContact N-O 2.66Å; S57-V210 VanDerWaalsContact N-O 3.16Å; S57-V210 PolarHBondContact O-N 3.39Å; S57-V210 WeakPolarHBondContact OG-CB 3.34Å; V210-P227 HydrophobicContact CG1-CB 4.28Å
211Y92.1Very high81.1Confident29 Ų2943.8 Ų43.811%0.11421%0.211CC..EExtended strand (participates in β ladder)trans-99.5140.5-179.3-66.2-88.9000110.7I8 A9 I53 E54 L55 P209 V213 P227 S228I8-Y211 HydrophobicContact CG2-CD2 3.76Å; I8-Y211 HydrophobicContact CG2-CG 3.96Å; A9-Y211 HydrophobicContact CB-CE2 4.22Å; I53-Y211 HydrophobicContact CB-CD1 4.29Å; I53-Y211 HydrophobicContact CD1-CD1 4.49Å; E54-Y211 CarbonylContact O-C 3.54Å; E54-Y211 VanDerWaalsContact O-CA 3.24Å; E54-Y211 WeakPolarHBondContact O-CA 3.12Å; L55-Y211 HydrophobicContact CB-CD1 4.21Å; L55-Y211 HydrophobicContact CB-CE1 4.05Å; L55-Y211 HydrophobicContact CD1-CD1 4.41Å; L55-Y211 HydrophobicContact CD1-CE1 4.13Å; P209-Y211 HydrophobicContact CB-CD2 4.08Å; P209-Y211 HydrophobicContact CB-CE2 3.4Å; P209-Y211 VanDerWaalsContact CB-CE2 3.4Å; P209-Y211 HydrophobicContact CG-CD2 4.37Å; P209-Y211 HydrophobicContact CG-CE2 3.5Å; Y211-V213 PolarHBondContact O-N 3.33Å; Y211-P227 CarbonylContact O-C 3.58Å; Y211-P227 WeakPolarHBondContact O-CA 3.21Å; Y211-S228 PolarHBondContact N-OG 2.82Å; Y211-S228 PolarHBondContact O-N 2.74Å
212Q92.1Very high81.7Confident27 Ų2744.2 Ų44.213%0.12621%0.211CC..EExtended strand (participates in β ladder)trans-73.6111.2157.9-172.170.955.500107.9E54 Q56 F226E54-Q212 PolarHBondContact N-O 3.39Å; E54-Q212 PolarHBondContact O-N 3.1Å; Q56-Q212 HydrophobicContact CB-CB 4.19Å; Q212-F226 PolarHBondContact NE2-O 2.77Å
213V90.8Very high82.3Confident0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-87.1131177.4-174.40000108.9I8 V50 Y211 A215 R225 F226I8-V213 HydrophobicContact CD1-CG1 4.35Å; I8-V213 HydrophobicContact CD1-CG2 4.11Å; I8-V213 HydrophobicContact CG1-CG2 4.02Å; I8-V213 HydrophobicContact CG2-CG2 4.17Å; V50-V213 HydrophobicContact CG1-CG1 3.88Å; V50-V213 HydrophobicContact CG2-CG1 4.01Å; Y211-V213 PolarHBondContact O-N 3.33Å; V213-A215 HydrophobicContact CG1-CB 4.31Å; V213-R225 WeakPolarHBondContact O-CA 3.35Å; V213-F226 HydrophobicContact CB-CD2 4.02Å; V213-F226 HydrophobicContact CB-CE2 3.7Å; V213-F226 HydrophobicContact CB-CZ 3.98Å; V213-F226 WeakPolarHBondContact CB-O 3.17Å; V213-F226 HydrophobicContact CG1-CE1 4.35Å; V213-F226 HydrophobicContact CG1-CE2 3.84Å; V213-F226 HydrophobicContact CG1-CZ 3.69Å; V213-F226 HydrophobicContact CG2-CD2 4.41Å; V213-F226 HydrophobicContact CG2-CE2 4.1Å; V213-F226 PolarHBondContact N-O 2.93Å; V213-F226 PolarHBondContact O-N 2.66Å; V213-F226 VanDerWaalsContact O-N 3.11Å
214Q89.4Confident82.3Confident47 Ų4735.1 Ų35.122%0.2218%0.176CC..EExtended strand (participates in β ladder)trans-105119.5169-54.8-173.914.500108.3I51 G52 V223 L224 R225I51-Q214 HydrophobicContact CG1-CB 4.16Å; I51-Q214 VanDerWaalsContact CG1-O 3.25Å; I51-Q214 WeakPolarHBondContact CG1-O 3.37Å; I51-Q214 PolarHBondContact N-O 3.13Å; G52-Q214 PolarHBondContact N-O 3.38Å; G52-Q214 PolarHBondContact O-N 2.99Å; Q214-V223 HydrophobicContact CB-CG1 4.3Å; Q214-L224 WeakPolarHBondContact CA-O 3.39Å; Q214-R225 HydrophobicContact CG-CG 4.31Å
215A87.3Confident82.2Confident1 Ų140.3 Ų40.31%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-146.8159.1-175.400000114.1I48 K49 V50 V213 L224 F226I48-A215 HydrophobicContact CG2-CB 3.41Å; I48-A215 VanDerWaalsContact CG2-CB 3.41Å; K49-A215 CarbonylContact O-C 3.58Å; K49-A215 WeakPolarHBondContact O-CA 3.36Å; K49-A215 WeakPolarHBondContact O-CB 3.16Å; V50-A215 HydrophobicContact CG2-CB 4.46Å; V213-A215 HydrophobicContact CG1-CB 4.31Å; A215-L224 PolarHBondContact N-O 3.2Å; A215-L224 PolarHBondContact O-N 2.72Å; A215-F226 HydrophobicContact CB-CE1 3.85Å; A215-F226 HydrophobicContact CB-CZ 4.07Å
216I84.6Confident82Confident3 Ų340 Ų402%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-112.9128.9175.9-57.9166.3000107.9K49 I51 V223 F246 V247 T248K49-I216 HydrophobicContact CB-CB 4.49Å; K49-I216 PolarHBondContact N-O 3.45Å; K49-I216 PolarHBondContact O-N 2.98Å; I51-I216 HydrophobicContact CD1-CD1 4.19Å; I51-I216 HydrophobicContact CD1-CG1 4.19Å; I51-I216 HydrophobicContact CG2-CD1 4.03Å; I51-I216 HydrophobicContact CG2-CG1 4.44Å; I216-V223 HydrophobicContact CG1-CG2 4.35Å; I216-F246 HydrophobicContact CG2-CB 4.21Å; I216-F246 HydrophobicContact CG2-CD1 4.27Å; I216-F246 WeakPolarHBondContact O-CD1 3.16Å; I216-V247 VanDerWaalsContact CG2-O 3.27Å; I216-V247 WeakPolarHBondContact CG2-O 3.31Å; I216-T248 HydrophobicContact CD1-CG2 4.35Å
217M79.1Confident82Confident11 Ų1138.6 Ų38.65%0.05418%0.184CC..EExtended strand (participates in β ladder)trans-88.1145.7171.3-65.5179.676.200110.4F42 D46 L47 I48 M219 R220 L224F42-M217 HydrophobicContact CD1-CE 3.86Å; F42-M217 HydrophobicContact CD1-SD 4.08Å; F42-M217 HydrophobicContact CE1-CE 4.42Å; F42-M217 HydrophobicContact CE1-SD 4.06Å; D46-M217 HydrophobicContact CB-CE 4.13Å; D46-M217 VanDerWaalsContact OD2-CE 3.25Å; D46-M217 WeakPolarHBondContact OD2-CE 3.35Å; L47-M217 WeakPolarHBondContact O-CA 3.08Å; I48-M217 HydrophobicContact CG1-CG 4.49Å; M217-M219 PolarHBondContact O-N 3.18Å; M217-M219 VanDerWaalsContact O-N 3.08Å; M217-R220 HydrophobicContact CB-CB 4.09Å; M217-R220 HydrophobicContact CB-CG 4.3Å; M217-R220 PolarHBondContact O-N 2.84Å; M217-R220 VanDerWaalsContact O-O 3.06Å; M217-R220 HydrophobicContact SD-CG 4.33Å; M217-L224 HydrophobicContact CG-CD1 3.6Å; M217-L224 HydrophobicContact SD-CD1 3.27Å; M217-L224 WeakPolarHBondContact SD-CD1 3.46Å
218N68.9Low82Confident43 Ų4338.5 Ų38.523%0.2318%0.184CC..THydrogen-bonded Turntrans-54.8-32.8-177.2-173.249.8000113.7L47 N245 F246L47-N218 HydrophobicContact CB-CB 4.05Å; L47-N218 PolarHBondContact O-N 3.11Å; N218-N245 PolarHBondContact OD1-N 2.94Å; N218-N245 PolarHBondContact OD1-O 3.12Å; N218-N245 VanDerWaalsContact OD1-O 3.08Å; N218-F246 HydrophobicContact CB-CD1 4.22Å; N218-F246 HydrophobicContact CB-CE1 3.85Å; N218-F246 HydrophobicContact CB-CZ 4.34Å
219M62.7Low81.8Confident168 Ų16839 Ų3983%0.82819%0.187SC*.THydrogen-bonded Turntrans-109.41.2-176.7-59-59.8-68.300114.3M217M217-M219 PolarHBondContact O-N 3.18Å; M217-M219 VanDerWaalsContact O-N 3.08Å
220R65.6Low81.6Confident99 Ų9939.3 Ų39.337%0.37419%0.188SC..  trans-113.4145.1177.7-63.1-170.6177.4-168.3-0.9110.4E39 M217E39-R220 PolarHBondContact O-NH1 2.83Å; M217-R220 HydrophobicContact CB-CB 4.09Å; M217-R220 HydrophobicContact CB-CG 4.3Å; M217-R220 PolarHBondContact O-N 2.84Å; M217-R220 VanDerWaalsContact O-O 3.06Å; M217-R220 HydrophobicContact SD-CG 4.33Å
221K61.9Low81.3Confident57 Ų5746.1 Ų46.125%0.24822%0.22CC..SBendtrans-90.8-8.9-172.9-72.7172.3162.4175.60113.5V247 P249 E268 L270K221-V247 HydrophobicContact CG-CG1 4.18Å; K221-P249 VanDerWaalsContact O-CB 3.29Å; K221-P249 WeakPolarHBondContact O-CB 3.48Å; K221-P249 WeakPolarHBondContact O-CG 3.32Å; K221-E268 VanDerWaalsContact CE-OE2 3.31Å; K221-E268 WeakPolarHBondContact CE-OE2 3.33Å; K221-E268 IonicContact NZ-OE1 3.95Å; K221-E268 PolarHBondContact NZ-OE1 3.47Å; K221-E268 IonicContact NZ-OE2 3.1Å; K221-E268 PolarHBondContact NZ-OE2 2.87Å; K221-L270 HydrophobicContact CB-CB 4.2Å; K221-L270 HydrophobicContact CB-CD1 4.17Å; K221-L270 HydrophobicContact CB-CD2 3.85Å; K221-L270 HydrophobicContact CB-CG 4.27Å; K221-L270 HydrophobicContact CD-CD2 3.52Å; K221-L270 HydrophobicContact CG-CD2 3.76Å; K221-L270 WeakPolarHBondContact O-CD1 3.46Å
222N65Low81.2Confident52 Ų5244.9 Ų44.928%0.27822%0.215SC..SBendtrans-105.4147.4-175.6-66.98.4000111.1L224 E271N222-L224 PolarHBondContact O-N 3.28Å; N222-E271 VanDerWaalsContact CG-OE1 3.26Å; N222-E271 PolarHBondContact ND2-OE1 3.28Å; N222-E271 PolarHBondContact OD1-OE1 3.37Å
223V75.6Confident81.1Confident60 Ų6046.2 Ų46.236%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-70.6120.3165.3-176.20000107.6I51 Q214 I216 P249I51-V223 HydrophobicContact CD1-CG1 3.97Å; I51-V223 HydrophobicContact CD1-CG2 4.22Å; Q214-V223 HydrophobicContact CB-CG1 4.3Å; I216-V223 HydrophobicContact CG1-CG2 4.35Å; V223-P249 HydrophobicContact CG2-CG 3.51Å
224L78.9Confident81.3Confident7 Ų746.3 Ų46.34%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-90.6143.5175.6-59.1175.4000109.9V40 Q214 A215 M217 N222 F226V40-L224 HydrophobicContact CG2-CD2 4.37Å; Q214-L224 WeakPolarHBondContact CA-O 3.39Å; A215-L224 PolarHBondContact N-O 3.2Å; A215-L224 PolarHBondContact O-N 2.72Å; M217-L224 HydrophobicContact CG-CD1 3.6Å; M217-L224 HydrophobicContact SD-CD1 3.27Å; M217-L224 WeakPolarHBondContact SD-CD1 3.46Å; N222-L224 PolarHBondContact O-N 3.28Å; L224-F226 HydrophobicContact CB-CD1 4.22Å; L224-F226 HydrophobicContact CB-CE1 4.45Å
225R84.8Confident81.5Confident139 Ų13946.7 Ų46.753%0.52523%0.229SC..EExtended strand (participates in β ladder)trans-117.3119.2173.4-77.3-175.4167.5154.9-2.4108.3I35 V213 Q214I35-R225 WeakPolarHBondContact CG2-O 3.29Å; V213-R225 WeakPolarHBondContact O-CA 3.35Å; Q214-R225 HydrophobicContact CG-CG 4.31Å
226F86.3Confident81.7Confident1 Ų149.4 Ų49.40%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-144.8153.6176.455.6-91.2000112L4 I35 V40 F42 I48 Q212 V213 A215 L224 L230L4-F226 HydrophobicContact CD2-CD2 4.23Å; L4-F226 HydrophobicContact CD2-CE2 3.85Å; I35-F226 HydrophobicContact CD1-CB 4.08Å; V40-F226 HydrophobicContact CG1-CB 4.38Å; V40-F226 HydrophobicContact CG1-CD1 4.29Å; F42-F226 HydrophobicContact CE1-CE1 4.19Å; F42-F226 HydrophobicContact CE1-CZ 4.49Å; F42-F226 HydrophobicContact CE2-CD2 4.28Å; F42-F226 HydrophobicContact CE2-CE2 4.3Å; F42-F226 HydrophobicContact CE2-CG 4.42Å; F42-F226 HydrophobicContact CE2-CZ 4.48Å; F42-F226 AromaticContact CZ-CD1 3.7Å; F42-F226 HydrophobicContact CZ-CD1 3.7Å; F42-F226 HydrophobicContact CZ-CD2 4.06Å; F42-F226 AromaticContact CZ-CE1 3.59Å; F42-F226 HydrophobicContact CZ-CE1 3.59Å; F42-F226 AromaticContact CZ-CE2 3.96Å; F42-F226 HydrophobicContact CZ-CE2 3.96Å; F42-F226 AromaticContact CZ-CG 3.92Å; F42-F226 HydrophobicContact CZ-CG 3.92Å; F42-F226 AromaticContact CZ-CZ 3.73Å; F42-F226 HydrophobicContact CZ-CZ 3.73Å; I48-F226 HydrophobicContact CG2-CE1 4.45Å; I48-F226 HydrophobicContact CG2-CZ 4.06Å; Q212-F226 PolarHBondContact NE2-O 2.77Å; V213-F226 HydrophobicContact CB-CD2 4.02Å; V213-F226 HydrophobicContact CB-CE2 3.7Å; V213-F226 HydrophobicContact CB-CZ 3.98Å; V213-F226 WeakPolarHBondContact CB-O 3.17Å; V213-F226 HydrophobicContact CG1-CE1 4.35Å; V213-F226 HydrophobicContact CG1-CE2 3.84Å; V213-F226 HydrophobicContact CG1-CZ 3.69Å; V213-F226 HydrophobicContact CG2-CD2 4.41Å; V213-F226 HydrophobicContact CG2-CE2 4.1Å; V213-F226 PolarHBondContact N-O 2.93Å; V213-F226 PolarHBondContact O-N 2.66Å; V213-F226 VanDerWaalsContact O-N 3.11Å; A215-F226 HydrophobicContact CB-CE1 3.85Å; A215-F226 HydrophobicContact CB-CZ 4.07Å; L224-F226 HydrophobicContact CB-CD1 4.22Å; L224-F226 HydrophobicContact CB-CE1 4.45Å; F226-L230 HydrophobicContact CB-CD1 3.81Å; F226-L230 HydrophobicContact CD2-CD1 3.81Å; F226-L230 HydrophobicContact CG-CD1 4.08Å
227P89.3Confident82.1Confident23 Ų2350 Ų5015%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-74.8146.6178.231.4-34.1000110.8I35 V210 Y211 S229 L230I35-P227 HydrophobicContact CD1-CG 4.48Å; V210-P227 HydrophobicContact CG1-CB 4.28Å; Y211-P227 CarbonylContact O-C 3.58Å; Y211-P227 WeakPolarHBondContact O-CA 3.21Å; P227-S229 PolarHBondContact O-N 3.25Å; P227-L230 HydrophobicContact CG-CG 4.25Å; P227-L230 WeakPolarHBondContact O-CG 3.47Å; P227-L230 PolarHBondContact O-N 2.97Å
228S91.5Very high82.4Confident0 Ų050.7 Ų50.70%025%0.253CS..THydrogen-bonded Turntrans-68.9-15.4177.167.80000112.9Q5 Y211 L230Q5-S228 VanDerWaalsContact CA-O 3.25Å; Q5-S228 WeakPolarHBondContact CA-O 3.35Å; Q5-S228 VanDerWaalsContact CB-O 3.29Å; Q5-S228 WeakPolarHBondContact CB-O 3.46Å; Q5-S228 PolarHBondContact N-O 3.18Å; Y211-S228 PolarHBondContact N-OG 2.82Å; Y211-S228 PolarHBondContact O-N 2.74Å; S228-L230 PolarHBondContact O-N 2.78Å
229S87.9Confident83.3Confident43 Ų4354.4 Ų54.430%0.30127%0.272SS..THydrogen-bonded Turntrans-73.80.3177.2550000114.2P227 E231P227-S229 PolarHBondContact O-N 3.25Å; S229-E231 PolarHBondContact O-N 2.77Å
230L87.5Confident84.3Confident14 Ų1452.4 Ų52.47%0.07327%0.269CS..SBendtrans-59.6131.5172.1-72.2175.3000110.5L4 Y33 F42 F226 P227 S228 V232L4-L230 HydrophobicContact CD2-CB 4.17Å; Y33-L230 HydrophobicContact CD1-CD2 4.48Å; Y33-L230 HydrophobicContact CD2-CD2 4.01Å; Y33-L230 HydrophobicContact CE1-CD2 4.31Å; Y33-L230 HydrophobicContact CE2-CD2 3.82Å; Y33-L230 HydrophobicContact CG-CD2 4.34Å; F42-L230 HydrophobicContact CE2-CD1 3.73Å; F226-L230 HydrophobicContact CB-CD1 3.81Å; F226-L230 HydrophobicContact CD2-CD1 3.81Å; F226-L230 HydrophobicContact CG-CD1 4.08Å; P227-L230 HydrophobicContact CG-CG 4.25Å; P227-L230 WeakPolarHBondContact O-CG 3.47Å; P227-L230 PolarHBondContact O-N 2.97Å; S228-L230 PolarHBondContact O-N 2.78Å; L230-V232 HydrophobicContact CB-CG2 4.15Å; L230-V232 PolarHBondContact O-N 2.95Å
231E86.3Confident84.8Confident144 Ų14449 Ų4967%0.67326%0.26SS*.SBendtrans-73.870.2-178.8-63.7-175.4176.400111.4G25 V26 S229G25-E231 WeakPolarHBondContact CA-O 3.12Å; V26-E231 PolarHBondContact N-O 2.82Å; S229-E231 PolarHBondContact O-N 2.77Å
232V88.9Confident85Confident3 Ų353 Ų532%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-132.2132.5-176.9-175.80000108.7L4 V22 S24 Y27 F42 L230 V234L4-V232 WeakPolarHBondContact CB-O 3.32Å; L4-V232 PolarHBondContact N-O 2.85Å; V22-V232 HydrophobicContact CB-CG1 4.31Å; V22-V232 HydrophobicContact CG1-CG1 3.54Å; V22-V232 HydrophobicContact CG2-CG1 4.03Å; S24-V232 CarbonylContact O-C 3.55Å; S24-V232 WeakPolarHBondContact O-CA 3.46Å; S24-V232 WeakPolarHBondContact O-CG1 3.3Å; Y27-V232 HydrophobicContact CE1-CG2 4.29Å; Y27-V232 WeakPolarHBondContact OH-CG2 2.93Å; F42-V232 HydrophobicContact CD2-CG2 4.22Å; L230-V232 HydrophobicContact CB-CG2 4.15Å; L230-V232 PolarHBondContact O-N 2.95Å; V232-V234 HydrophobicContact CG1-CG1 4.19Å
233D91.8Very high85Confident56 Ų5657.8 Ų57.830%0.29930%0.303SS..EExtended strand (participates in β ladder)trans-94.7134.6171.7-57.6-54000110.4A1 L2 C23 S24A1-D233 HydrophobicContact CB-CB 3.85Å; L2-D233 CarbonylContact O-C 3.49Å; L2-D233 WeakPolarHBondContact O-CA 3.45Å; C23-D233 PolarHBondContact N-O 3.44Å; S24-D233 PolarHBondContact O-N 2.83Å; S24-D233 WeakPolarHBondContact OG-CB 3.26Å; S24-D233 PolarHBondContact OG-OD2 2.91Å
234V93.6Very high84.6Confident2 Ų256.3 Ų56.31%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-126.7158.9-175.5-64.40000112.3A1 L2 L4 F7 L20 Q21 V232A1-V234 CarbonylContact C-O 3.51Å; A1-V234 VanDerWaalsContact CA-O 3.26Å; A1-V234 WeakPolarHBondContact CA-O 2.95Å; L2-V234 PolarHBondContact N-O 2.93Å; L2-V234 PolarHBondContact O-N 3.12Å; L4-V234 HydrophobicContact CD1-CG1 4.06Å; L4-V234 HydrophobicContact CD1-CG2 4.22Å; F7-V234 HydrophobicContact CB-CG2 3.94Å; F7-V234 HydrophobicContact CD1-CG2 4.36Å; F7-V234 HydrophobicContact CG-CG2 4.09Å; L20-V234 HydrophobicContact CB-CB 4.24Å; L20-V234 HydrophobicContact CB-CG1 4.44Å; L20-V234 HydrophobicContact CD1-CB 4.46Å; L20-V234 HydrophobicContact CD1-CG2 4.26Å; Q21-V234 WeakPolarHBondContact O-CA 3.07Å; V232-V234 HydrophobicContact CG1-CG1 4.19Å
235V94Very high84Confident54 Ų5460.7 Ų60.733%0.32732%0.321SS..EExtended strand (participates in β ladder)trans-129.4134.7170.4173.60000108.8A1 L20 Q21 C23 V237A1-V235 HydrophobicContact CB-CG2 3.78Å; L20-V235 WeakPolarHBondContact CA-O 3.31Å; Q21-V235 PolarHBondContact N-O 2.99Å; Q21-V235 PolarHBondContact O-N 2.87Å; C23-V235 WeakPolarHBondContact SG-CG2 3.07Å; V235-V237 HydrophobicContact CG1-CG1 4.11Å; V235-V237 PolarHBondContact O-N 3.1Å
236D92.6Very high83.3Confident58 Ų5855.2 Ų55.231%0.3130%0.301SS..EExtended strand (participates in β ladder)trans-69113.6170.4-170.1-11.5000109.4F7 K18 L20 T238F7-D236 HydrophobicContact CE2-CB 3.82Å; F7-D236 HydrophobicContact CZ-CB 3.73Å; K18-D236 IonicContact NZ-OD2 3.11Å; K18-D236 PolarHBondContact NZ-OD2 3.18Å; L20-D236 HydrophobicContact CD2-CB 4.43Å; D236-T238 WeakPolarHBondContact OD1-CB 3.47Å; D236-T238 PolarHBondContact OD1-N 3.46Å; D236-T238 PolarHBondContact OD1-OG1 2.74Å
237V91.3Very high82.6Confident15 Ų1557.1 Ų57.19%0.09131%0.313CS..  trans-116.519.2176.5-62.30000111.3I19 Q21 L47 V235 D239 V240 C241I19-V237 HydrophobicContact CB-CG2 4.45Å; I19-V237 HydrophobicContact CG2-CG2 3.9Å; I19-V237 WeakPolarHBondContact O-CG2 3.43Å; I19-V237 PolarHBondContact O-N 3.04Å; Q21-V237 HydrophobicContact CB-CG1 3.92Å; Q21-V237 HydrophobicContact CB-CG2 3.96Å; L47-V237 HydrophobicContact CD2-CG2 3.89Å; V235-V237 HydrophobicContact CG1-CG1 4.11Å; V235-V237 PolarHBondContact O-N 3.1Å; V237-D239 PolarHBondContact O-N 3.03Å; V237-V240 PolarHBondContact O-N 2.85Å; V237-C241 HydrophobicContact CG2-CB 4.32Å; V237-C241 WeakPolarHBondContact O-CB 3.41Å; V237-C241 PolarHBondContact O-N 3.46Å
238T86.5Confident82Confident27 Ų2759.2 Ų59.217%0.16633%0.325CS..THydrogen-bonded Turntrans-51.6-43-178.4-560000112K18 I19 D236 K242K18-T238 HydrophobicContact CD-CG2 4.44Å; K18-T238 WeakPolarHBondContact CD-OG1 3.2Å; I19-T238 PolarHBondContact N-OG1 2.91Å; I19-T238 PolarHBondContact O-N 3.24Å; D236-T238 WeakPolarHBondContact OD1-CB 3.47Å; D236-T238 PolarHBondContact OD1-N 3.46Å; D236-T238 PolarHBondContact OD1-OG1 2.74Å; T238-K242 WeakPolarHBondContact O-CG 3.48Å
239D86.5Confident81.4Confident120 Ų12059.9 Ų59.964%0.64233%0.329SS*.THydrogen-bonded Turntrans-74.6-25.9-178.5-78.7-50.3000114.3V237 K242V237-D239 PolarHBondContact O-N 3.03Å; D239-K242 VanDerWaalsContact CA-CE 3.49Å; D239-K242 WeakPolarHBondContact O-CE 3.45Å; D239-K242 WeakPolarHBondContact OD1-CE 3.44Å; D239-K242 IonicContact OD1-NZ 3.98Å; D239-K242 PolarHBondContact OD1-NZ 2.88Å
240V84.4Confident81.4Confident126 Ų12658.6 Ų58.676%0.76432%0.319SS*.THydrogen-bonded Turntrans-88.4-32-177-173.40000111.1V237V237-V240 PolarHBondContact O-N 2.85Å
241C76.3Confident81.4Confident27 Ų2761.1 Ų61.118%0.18233%0.332CS..  trans-105.332.4-173.3-68.30000113.6I19 V237 D243 A244I19-C241 HydrophobicContact CD1-CB 4.19Å; I19-C241 WeakPolarHBondContact CD1-O 3.37Å; I19-C241 HydrophobicContact CG2-CB 4.17Å; V237-C241 HydrophobicContact CG2-CB 4.32Å; V237-C241 WeakPolarHBondContact O-CB 3.41Å; V237-C241 PolarHBondContact O-N 3.46Å; C241-D243 PolarHBondContact O-N 3.41Å; C241-A244 HydrophobicContact CB-CB 4.05Å; C241-A244 WeakPolarHBondContact O-CB 3.34Å; C241-A244 PolarHBondContact O-N 3.44Å; C241-A244 VanDerWaalsContact O-N 3.08Å
242K66Low81.6Confident142 Ų14254.5 Ų54.562%0.61730%0.302SS*.THydrogen-bonded Turntrans-59.7-29.5-179.7-64.2-173.8-171.9-1750113.2T238 D239T238-K242 WeakPolarHBondContact O-CG 3.48Å; D239-K242 VanDerWaalsContact CA-CE 3.49Å; D239-K242 WeakPolarHBondContact O-CE 3.45Å; D239-K242 WeakPolarHBondContact OD1-CE 3.44Å; D239-K242 IonicContact OD1-NZ 3.98Å; D239-K242 PolarHBondContact OD1-NZ 2.88Å
243D65.1Low81.6Confident152 Ų15258.4 Ų58.481%0.81333%0.326SS*.THydrogen-bonded Turntrans-93.52.2180-60.6-42.4000113.9C241 N245C241-D243 PolarHBondContact O-N 3.41Å; D243-N245 PolarHBondContact O-N 3.47Å
244A66.5Low81.5Confident29 Ų2959.7 Ų59.724%0.2433%0.33CS..  trans-64.8128.1176.800000110.3L47 C241 F246L47-A244 HydrophobicContact CD1-CB 4.31Å; C241-A244 HydrophobicContact CB-CB 4.05Å; C241-A244 WeakPolarHBondContact O-CB 3.34Å; C241-A244 PolarHBondContact O-N 3.44Å; C241-A244 VanDerWaalsContact O-N 3.08Å; A244-F246 HydrophobicContact CB-CD2 4.16Å; A244-F246 HydrophobicContact CB-CE2 3.58Å; A244-F246 HydrophobicContact CB-CZ 4.28Å; A244-F246 WeakPolarHBondContact O-CD2 3.34Å; A244-F246 PolarHBondContact O-N 2.74Å
245N66.1Low81.5Confident100 Ų10059.6 Ų59.654%0.53533%0.329SS..  trans-82.581.7-175.3-73.4-40.7000110.9N218 D243 V247 K526N218-N245 PolarHBondContact OD1-N 2.94Å; N218-N245 PolarHBondContact OD1-O 3.12Å; N218-N245 VanDerWaalsContact OD1-O 3.08Å; D243-N245 PolarHBondContact O-N 3.47Å; N245-V247 PolarHBondContact O-N 3.4Å; N245-K526 PolarHBondContact OD1-NZ 3.36Å
246F70.4Confident81.4Confident23 Ų2358.8 Ų58.810%0.10132%0.323CS..  trans-75.5118.5167.3-64.9-85.8000109.9I19 L47 K49 I216 N218 A244 T248I19-F246 HydrophobicContact CD1-CE2 3.74Å; I19-F246 HydrophobicContact CD1-CZ 4.48Å; I19-F246 HydrophobicContact CG1-CE2 3.89Å; I19-F246 HydrophobicContact CG1-CZ 4.24Å; I19-F246 HydrophobicContact CG2-CE2 3.94Å; I19-F246 HydrophobicContact CG2-CZ 3.59Å; L47-F246 HydrophobicContact CB-CE1 4.27Å; L47-F246 HydrophobicContact CB-CZ 3.96Å; K49-F246 HydrophobicContact CB-CD1 3.54Å; K49-F246 HydrophobicContact CB-CD2 4.16Å; K49-F246 HydrophobicContact CB-CE1 3.57Å; K49-F246 HydrophobicContact CB-CE2 4.17Å; K49-F246 HydrophobicContact CB-CG 3.85Å; K49-F246 HydrophobicContact CB-CZ 3.91Å; K49-F246 HydrophobicContact CD-CB 4.02Å; K49-F246 HydrophobicContact CD-CD1 4.36Å; K49-F246 HydrophobicContact CD-CD2 3.89Å; K49-F246 HydrophobicContact CD-CE2 4.49Å; K49-F246 HydrophobicContact CD-CG 3.81Å; K49-F246 HydrophobicContact CG-CG 4.49Å; I216-F246 HydrophobicContact CG2-CB 4.21Å; I216-F246 HydrophobicContact CG2-CD1 4.27Å; I216-F246 WeakPolarHBondContact O-CD1 3.16Å; N218-F246 HydrophobicContact CB-CD1 4.22Å; N218-F246 HydrophobicContact CB-CE1 3.85Å; N218-F246 HydrophobicContact CB-CZ 4.34Å; A244-F246 HydrophobicContact CB-CD2 4.16Å; A244-F246 HydrophobicContact CB-CE2 3.58Å; A244-F246 HydrophobicContact CB-CZ 4.28Å; A244-F246 WeakPolarHBondContact O-CD2 3.34Å; A244-F246 PolarHBondContact O-N 2.74Å; F246-T248 PolarHBondContact O-N 3.31Å
247V72.1Confident81.3Confident42 Ų4260.5 Ų60.526%0.25534%0.34SS..  trans-72.5108.1172.6-177.10000108I216 K221 N245 P249 L270 S523I216-V247 VanDerWaalsContact CG2-O 3.27Å; I216-V247 WeakPolarHBondContact CG2-O 3.31Å; K221-V247 HydrophobicContact CG-CG1 4.18Å; N245-V247 PolarHBondContact O-N 3.4Å; V247-P249 WeakPolarHBondContact O-CD 3.25Å; V247-L270 HydrophobicContact CG1-CD2 4.41Å; V247-S523 WeakPolarHBondContact CG1-OG 3.41Å
248T76.3Confident81.3Confident66 Ų6662.3 Ų62.341%0.40535%0.347SS..  trans-81.4110.7174.7-52.80000109.2I216 F246 L250I216-T248 HydrophobicContact CD1-CG2 4.35Å; F246-T248 PolarHBondContact O-N 3.31Å; T248-L250 HydrophobicContact CG2-CD2 4.16Å
249P80.1Confident81.5Confident14 Ų1463.8 Ų63.89%0.09136%0.357CS..  trans-66.6138.6167.727.2-33.1000110.1K221 V223 V247 L270K221-P249 VanDerWaalsContact O-CB 3.29Å; K221-P249 WeakPolarHBondContact O-CB 3.48Å; K221-P249 WeakPolarHBondContact O-CG 3.32Å; V223-P249 HydrophobicContact CG2-CG 3.51Å; V247-P249 WeakPolarHBondContact O-CD 3.25Å; P249-L270 HydrophobicContact CB-CD1 3.58Å
250L86.1Confident81.7Confident17 Ų1763.6 Ų63.69%0.08936%0.356CS..EExtended strand (participates in β ladder)trans-126.5123.8174.4-60.9173.7000108T248 E254 V255 Q258 V522 F524T248-L250 HydrophobicContact CG2-CD2 4.16Å; L250-E254 VanDerWaalsContact CA-OE2 3.3Å; L250-E254 WeakPolarHBondContact CA-OE2 3.38Å; L250-E254 HydrophobicContact CB-CB 4.3Å; L250-E254 HydrophobicContact CD2-CB 4.04Å; L250-V255 HydrophobicContact CB-CG2 3.82Å; L250-V255 HydrophobicContact CD1-CG2 4.38Å; L250-Q258 HydrophobicContact CD1-CG 4.35Å; L250-V522 PolarHBondContact N-O 3.48Å; L250-V522 PolarHBondContact O-N 2.8Å; L250-F524 HydrophobicContact CD1-CD1 3.98Å; L250-F524 HydrophobicContact CD1-CD2 4.38Å; L250-F524 HydrophobicContact CD1-CE1 3.89Å; L250-F524 HydrophobicContact CD1-CE2 4.31Å; L250-F524 HydrophobicContact CD1-CG 4.23Å; L250-F524 HydrophobicContact CD1-CZ 4.07Å
251N87.8Confident82.1Confident66 Ų6666.5 Ų66.535%0.35336%0.358SS..EExtended strand (participates in β ladder)trans-72163.4163.468.357.4000110.1T253 E254 V255N251-T253 PolarHBondContact O-N 3.15Å; N251-T253 VanDerWaalsContact O-N 3.15Å; N251-T253 WeakPolarHBondContact OD1-CA 3.24Å; N251-T253 VanDerWaalsContact OD1-CB 3.23Å; N251-T253 WeakPolarHBondContact OD1-CB 3.29Å; N251-T253 PolarHBondContact OD1-N 3.05Å; N251-E254 PolarHBondContact N-OE2 2.91Å; N251-E254 PolarHBondContact ND2-OE1 2.57Å; N251-E254 PolarHBondContact ND2-OE2 3.1Å; N251-E254 VanDerWaalsContact ND2-OE2 3.16Å; N251-E254 WeakPolarHBondContact O-CB 3.47Å; N251-E254 PolarHBondContact O-N 3.46Å; N251-E254 PolarHBondContact OD1-N 2.98Å; N251-V255 WeakPolarHBondContact O-CG2 3.32Å; N251-V255 PolarHBondContact O-N 2.63Å
252L90.6Very high82.7Confident5 Ų566.9 Ų66.93%0.02636%0.361CS..Hα-helixtrans-60.3-28.2-177.7-64.8-174.2000114.1V255 L256 I499 L513 P515 L518 L520L252-V255 WeakPolarHBondContact O-CB 3.24Å; L252-V255 PolarHBondContact O-N 2.75Å; L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.48Å; L252-I499 HydrophobicContact CB-CD1 4.13Å; L252-I499 HydrophobicContact CD2-CD1 3.97Å; L252-L513 HydrophobicContact CD1-CB 4.18Å; L252-L513 HydrophobicContact CD2-CD1 4.22Å; L252-P515 HydrophobicContact CB-CB 3.65Å; L252-P515 HydrophobicContact CB-CG 3.7Å; L252-P515 HydrophobicContact CD1-CB 4.46Å; L252-P515 HydrophobicContact CD1-CG 4.33Å; L252-L518 HydrophobicContact CD1-CB 4.35Å; L252-L518 HydrophobicContact CD1-CD2 4.17Å; L252-L518 HydrophobicContact CD1-CG 4.33Å; L252-L518 WeakPolarHBondContact CD1-O 3.4Å; L252-L520 HydrophobicContact CD1-CB 3.96Å; L252-L520 HydrophobicContact CD2-CB 4.12Å; L252-L520 HydrophobicContact CD2-CD2 4.21Å; L252-L520 HydrophobicContact CG-CB 3.9Å; L252-L520 PolarHBondContact N-O 3.18Å
253T89.8Confident84Confident85 Ų8561.2 Ų61.252%0.52134%0.337SS..Hα-helixtrans-70.4-38.8174.7-52.80000111.4N251 V255 L256 S257N251-T253 PolarHBondContact O-N 3.15Å; N251-T253 VanDerWaalsContact O-N 3.15Å; N251-T253 WeakPolarHBondContact OD1-CA 3.24Å; N251-T253 VanDerWaalsContact OD1-CB 3.23Å; N251-T253 WeakPolarHBondContact OD1-CB 3.29Å; N251-T253 PolarHBondContact OD1-N 3.05Å; T253-V255 VanDerWaalsContact C-N 3.33Å; T253-L256 WeakPolarHBondContact O-CB 3.32Å; T253-L256 PolarHBondContact O-N 2.77Å; T253-S257 PolarHBondContact O-N 3.43Å; T253-S257 VanDerWaalsContact O-N 3.14Å; T253-S257 PolarHBondContact O-OG 2.95Å
254E89.9Confident85.3Confident83 Ų8355.8 Ų55.839%0.38831%0.31SS..Hα-helixtrans-68.3-34.8173.8-70.1164.6165.500111.6L250 N251 L256 S257 Q258L250-E254 VanDerWaalsContact CA-OE2 3.3Å; L250-E254 WeakPolarHBondContact CA-OE2 3.38Å; L250-E254 HydrophobicContact CB-CB 4.3Å; L250-E254 HydrophobicContact CD2-CB 4.04Å; N251-E254 PolarHBondContact N-OE2 2.91Å; N251-E254 PolarHBondContact ND2-OE1 2.57Å; N251-E254 PolarHBondContact ND2-OE2 3.1Å; N251-E254 VanDerWaalsContact ND2-OE2 3.16Å; N251-E254 WeakPolarHBondContact O-CB 3.47Å; N251-E254 PolarHBondContact O-N 3.46Å; N251-E254 PolarHBondContact OD1-N 2.98Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 2.79Å; E254-S257 VanDerWaalsContact O-N 3.11Å; E254-Q258 WeakPolarHBondContact O-CG 3.33Å; E254-Q258 PolarHBondContact O-N 2.87Å
255V92.3Very high86.6Confident0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-60.6-42.5170.4174.80000110.8L250 N251 L252 T253 S257 Q258 F263 L295 I499 V522 F524L250-V255 HydrophobicContact CB-CG2 3.82Å; L250-V255 HydrophobicContact CD1-CG2 4.38Å; N251-V255 WeakPolarHBondContact O-CG2 3.32Å; N251-V255 PolarHBondContact O-N 2.63Å; L252-V255 WeakPolarHBondContact O-CB 3.24Å; L252-V255 PolarHBondContact O-N 2.75Å; T253-V255 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 2.78Å; V255-Q258 VanDerWaalsContact O-CB 3.32Å; V255-Q258 WeakPolarHBondContact O-CB 3.49Å; V255-Q258 PolarHBondContact O-N 2.83Å; V255-Q258 VanDerWaalsContact O-N 3.13Å; V255-F263 HydrophobicContact CG1-CE1 4.06Å; V255-F263 HydrophobicContact CG1-CZ 3.84Å; V255-L295 HydrophobicContact CG1-CD1 3.82Å; V255-I499 HydrophobicContact CB-CD1 3.88Å; V255-I499 HydrophobicContact CG1-CD1 3.57Å; V255-I499 HydrophobicContact CG1-CG1 4.24Å; V255-V522 HydrophobicContact CG2-CG2 3.68Å; V255-F524 HydrophobicContact CG1-CE1 4.33Å; V255-F524 HydrophobicContact CG1-CZ 4.25Å; V255-F524 HydrophobicContact CG2-CE1 4.14Å
256L91.8Very high87.9Confident37 Ų3750.7 Ų50.719%0.19428%0.279CS..Hα-helixtrans-63-28.3174.2-72177.7000113L252 T253 E254 Q258 K298 P497 I499 P515L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.48Å; T253-L256 WeakPolarHBondContact O-CB 3.32Å; T253-L256 PolarHBondContact O-N 2.77Å; E254-L256 VanDerWaalsContact C-N 3.33Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-K298 HydrophobicContact CD2-CB 3.84Å; L256-K298 WeakPolarHBondContact O-CD 3.49Å; L256-K298 PolarHBondContact O-NZ 2.83Å; L256-P497 HydrophobicContact CD1-CB 3.51Å; L256-I499 HydrophobicContact CD2-CD1 4.18Å; L256-I499 HydrophobicContact CD2-CG1 3.6Å; L256-I499 HydrophobicContact CG-CD1 4.2Å; L256-I499 HydrophobicContact CG-CG1 4.17Å; L256-P515 HydrophobicContact CD1-CB 4.24Å; L256-P515 HydrophobicContact CD1-CG 3.71Å; L256-P515 HydrophobicContact CG-CG 4.14Å
257S90.8Very high89Confident95 Ų9549.6 Ų49.666%0.66428%0.275SS*.Hα-helixtrans-79.4-13.2176.6-62.80000113.5T253 E254 V255T253-S257 PolarHBondContact O-N 3.43Å; T253-S257 VanDerWaalsContact O-N 3.14Å; T253-S257 PolarHBondContact O-OG 2.95Å; E254-S257 WeakPolarHBondContact O-CB 3.27Å; E254-S257 PolarHBondContact O-N 2.79Å; E254-S257 VanDerWaalsContact O-N 3.11Å; V255-S257 PolarHBondContact O-N 2.78Å
258Q91.4Very high90Very high53 Ų5349.2 Ų49.225%0.24827%0.27CS..SBendtrans-64.2146.2175.7-64.9-59-43.400111.3L250 E254 V255 L256 F263 K298 F524L250-Q258 HydrophobicContact CD1-CG 4.35Å; E254-Q258 WeakPolarHBondContact O-CG 3.33Å; E254-Q258 PolarHBondContact O-N 2.87Å; V255-Q258 VanDerWaalsContact O-CB 3.32Å; V255-Q258 WeakPolarHBondContact O-CB 3.49Å; V255-Q258 PolarHBondContact O-N 2.83Å; V255-Q258 VanDerWaalsContact O-N 3.13Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; Q258-F263 HydrophobicContact CB-CE2 4.02Å; Q258-F263 HydrophobicContact CB-CZ 4.33Å; Q258-K298 WeakPolarHBondContact O-CE 3.32Å; Q258-K298 PolarHBondContact O-NZ 2.85Å; Q258-F524 HydrophobicContact CB-CE2 4.3Å; Q258-F524 HydrophobicContact CB-CZ 4.4Å; Q258-F524 HydrophobicContact CG-CE2 3.81Å; Q258-F524 HydrophobicContact CG-CZ 3.85Å
259P91.9Very high90.6Very high58 Ų5846.1 Ų46.138%0.37725%0.251SS..  trans-68.5152.1179.830.4-35.4000111.2K261 S262P259-K261 HydrophobicContact CB-CG 4.09Å; P259-K261 HydrophobicContact CG-CG 4.05Å; P259-K261 PolarHBondContact O-N 3.33Å; P259-K261 VanDerWaalsContact O-N 3.12Å; P259-S262 WeakPolarHBondContact CD-OG 3.11Å; P259-S262 WeakPolarHBondContact CG-OG 3.31Å; P259-S262 VanDerWaalsContact O-CB 3.25Å; P259-S262 WeakPolarHBondContact O-CB 3.3Å; P259-S262 PolarHBondContact O-N 2.98Å; P259-S262 PolarHBondContact O-OG 3.27Å
260D90.8Very high90.8Very high115 Ų11545.4 Ų45.462%0.61525%0.247SC*.G310 helixtrans-59.6-30.1-175.4-63.9-38.7000113.2S262 F263 K298D260-S262 PolarHBondContact O-N 2.88Å; D260-S262 VanDerWaalsContact O-N 3.16Å; D260-F263 PolarHBondContact O-N 3.4Å; D260-K298 WeakPolarHBondContact OD1-CE 3.47Å; D260-K298 IonicContact OD1-NZ 3.47Å
261K91.4Very high90.6Very high187 Ų18749 Ų4981%0.81326%0.263SS*.G310 helixtrans-63.1-16174.768.4179.6179.1179.20114.4P259 F263P259-K261 HydrophobicContact CB-CG 4.09Å; P259-K261 HydrophobicContact CG-CG 4.05Å; P259-K261 PolarHBondContact O-N 3.33Å; P259-K261 VanDerWaalsContact O-N 3.12Å; K261-F263 PolarHBondContact O-N 2.73Å
262S89.9Confident90.4Very high35 Ų3550.9 Ų50.925%0.24527%0.269CS..G310 helixtrans-77.4-6.4174.9-610000112.4P259 D260 V265P259-S262 WeakPolarHBondContact CD-OG 3.11Å; P259-S262 WeakPolarHBondContact CG-OG 3.31Å; P259-S262 VanDerWaalsContact O-CB 3.25Å; P259-S262 WeakPolarHBondContact O-CB 3.3Å; P259-S262 PolarHBondContact O-N 2.98Å; P259-S262 PolarHBondContact O-OG 3.27Å; D260-S262 PolarHBondContact O-N 2.88Å; D260-S262 VanDerWaalsContact O-N 3.16Å; S262-V265 VanDerWaalsContact O-CB 3.31Å; S262-V265 WeakPolarHBondContact O-CB 2.96Å; S262-V265 WeakPolarHBondContact O-CG1 3.43Å
263F92.1Very high89.9Confident24 Ų2452.2 Ų52.211%0.10528%0.278CS..  trans-113.9149.3179.5-59.6-92.7000110.7V255 Q258 D260 K261 V265 L295 H296 K298 F524V255-F263 HydrophobicContact CG1-CE1 4.06Å; V255-F263 HydrophobicContact CG1-CZ 3.84Å; Q258-F263 HydrophobicContact CB-CE2 4.02Å; Q258-F263 HydrophobicContact CB-CZ 4.33Å; D260-F263 PolarHBondContact O-N 3.4Å; K261-F263 PolarHBondContact O-N 2.73Å; F263-V265 HydrophobicContact CD1-CG1 4.28Å; F263-L295 HydrophobicContact CD1-CB 3.96Å; F263-L295 HydrophobicContact CE1-CB 3.86Å; F263-L295 HydrophobicContact CE1-CD1 4.42Å; F263-H296 WeakPolarHBondContact CB-O 3.37Å; F263-K298 HydrophobicContact CD2-CG 4.49Å; F263-K298 HydrophobicContact CE2-CD 3.97Å; F263-K298 HydrophobicContact CE2-CG 4.02Å; F263-K298 HydrophobicContact CZ-CB 4.37Å; F263-K298 HydrophobicContact CZ-CD 4.37Å; F263-K298 HydrophobicContact CZ-CG 4.35Å; F263-F524 HydrophobicContact CE1-CZ 4.5Å; F263-F524 HydrophobicContact CZ-CZ 4.35Å
264P93.1Very high88.9Confident38 Ų3855.2 Ų55.225%0.24729%0.287CS..SBendcis-74148.2-4.729.2-33.6000112.9L295 L529 W531 F536P264-L295 CarbonylContact C-O 3.58Å; P264-L295 WeakPolarHBondContact CA-O 3.46Å; P264-L529 HydrophobicContact CB-CD1 4.33Å; P264-L529 HydrophobicContact CB-CD2 4.19Å; P264-L529 HydrophobicContact CG-CD1 3.69Å; P264-L529 HydrophobicContact CG-CD2 4.44Å; P264-W531 HydrophobicContact CB-CZ2 4.39Å; P264-W531 HydrophobicContact CG-CZ2 4.31Å; P264-F536 HydrophobicContact CG-CE1 4.22Å
265V93.8Very high87.3Confident18 Ų1857.2 Ų57.211%0.10931%0.31CS..EExtended strand (participates in β ladder)trans-140.8144.2-178.661.10000112.1S262 F263 I294 L295 F524S262-V265 VanDerWaalsContact O-CB 3.31Å; S262-V265 WeakPolarHBondContact O-CB 2.96Å; S262-V265 WeakPolarHBondContact O-CG1 3.43Å; F263-V265 HydrophobicContact CD1-CG1 4.28Å; V265-I294 WeakPolarHBondContact O-CA 3.31Å; V265-L295 HydrophobicContact CG1-CB 4.1Å; V265-L295 HydrophobicContact CG1-CD1 4.43Å; V265-L295 PolarHBondContact N-O 2.82Å; V265-L295 PolarHBondContact O-N 2.77Å; V265-F524 HydrophobicContact CG1-CD1 4.01Å; V265-F524 HydrophobicContact CG1-CD2 4.14Å; V265-F524 HydrophobicContact CG1-CE1 3.87Å; V265-F524 HydrophobicContact CG1-CE2 3.99Å; V265-F524 HydrophobicContact CG1-CG 4.16Å; V265-F524 HydrophobicContact CG1-CZ 3.85Å; V265-F524 HydrophobicContact CG2-CB 3.94Å; V265-F524 HydrophobicContact CG2-CD1 4.34Å; V265-F524 HydrophobicContact CG2-CD2 4.09Å; V265-F524 HydrophobicContact CG2-CG 3.88Å
266V94.1Very high85.7Confident4 Ų467 Ų672%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-81.4122.1169.5-178.10000108.4N292 L293 T504 T525 D527 L529V266-N292 HydrophobicContact CG1-CB 4.03Å; V266-L293 CarbonylContact C-O 3.6Å; V266-L293 WeakPolarHBondContact CA-O 3.31Å; V266-T504 HydrophobicContact CG1-CG2 4.48Å; V266-T525 VanDerWaalsContact CB-OG1 3.31Å; V266-T525 WeakPolarHBondContact CB-OG1 3.35Å; V266-T525 WeakPolarHBondContact CG1-OG1 3.38Å; V266-T525 WeakPolarHBondContact O-CB 3.44Å; V266-T525 PolarHBondContact O-N 2.83Å; V266-T525 PolarHBondContact O-OG1 3.06Å; V266-D527 HydrophobicContact CB-CB 4.24Å; V266-D527 HydrophobicContact CG1-CB 4.19Å; V266-D527 HydrophobicContact CG2-CB 4.46Å; V266-L529 HydrophobicContact CG2-CD2 4.07Å
267A93.4Very high84.6Confident0 Ų068.1 Ų68.10%036%0.358CS..EExtended strand (participates in β ladder)trans-120.1135179.600000111.1N292 L293 L295 V522 S523 F524A267-N292 WeakPolarHBondContact O-CA 3.22Å; A267-L293 PolarHBondContact N-O 3.46Å; A267-L293 PolarHBondContact O-N 3.08Å; A267-L295 HydrophobicContact CB-CD1 3.78Å; A267-L295 HydrophobicContact CB-CG 3.94Å; A267-V522 HydrophobicContact CB-CB 4.17Å; A267-V522 HydrophobicContact CB-CG2 4.31Å; A267-S523 CarbonylContact C-O 3.57Å; A267-S523 WeakPolarHBondContact CA-O 3.5Å; A267-S523 WeakPolarHBondContact CB-O 3.5Å; A267-F524 HydrophobicContact CB-CD1 4.12Å
268E92Very high84.4Confident34 Ų3465.7 Ų65.716%0.15934%0.335CS..EExtended strand (participates in β ladder)trans-92.7133.4176.1-170.9-171.7172.800110.1K221 L270 S290 N292 V522 S523 T525K221-E268 VanDerWaalsContact CE-OE2 3.31Å; K221-E268 WeakPolarHBondContact CE-OE2 3.33Å; K221-E268 IonicContact NZ-OE1 3.95Å; K221-E268 PolarHBondContact NZ-OE1 3.47Å; K221-E268 IonicContact NZ-OE2 3.1Å; K221-E268 PolarHBondContact NZ-OE2 2.87Å; E268-L270 PolarHBondContact O-N 3.29Å; E268-S290 VanDerWaalsContact OE1-CA 3.26Å; E268-S290 WeakPolarHBondContact OE1-CA 3.29Å; E268-S290 VanDerWaalsContact OE1-CB 3.29Å; E268-S290 WeakPolarHBondContact OE1-CB 3.46Å; E268-S290 PolarHBondContact OE1-OG 2.83Å; E268-N292 WeakPolarHBondContact CB-OD1 3.48Å; E268-V522 CarbonylContact O-C 3.59Å; E268-V522 WeakPolarHBondContact O-CA 3.11Å; E268-S523 PolarHBondContact N-O 2.79Å; E268-S523 PolarHBondContact O-N 2.79Å; E268-T525 HydrophobicContact CB-CG2 3.9Å
269I89.9Confident84.1Confident0 Ų063.5 Ų63.50%033%0.325CS..EExtended strand (participates in β ladder)trans-72123.4172.5-59.7176.8000110.1E271 L287 S290 T291 L293 L520 V522I269-E271 WeakPolarHBondContact CG2-O 3.44Å; I269-L287 HydrophobicContact CD1-CB 4.02Å; I269-L287 HydrophobicContact CD1-CD2 3.86Å; I269-S290 PolarHBondContact O-N 2.62Å; I269-T291 WeakPolarHBondContact CG1-O 3.2Å; I269-T291 PolarHBondContact N-O 3.12Å; I269-L293 HydrophobicContact CD1-CD1 3.85Å; I269-L293 HydrophobicContact CD1-CD2 4.37Å; I269-L293 HydrophobicContact CD1-CG 3.99Å; I269-L293 HydrophobicContact CG1-CD1 3.9Å; I269-L293 HydrophobicContact CG1-CG 4.07Å; I269-L520 HydrophobicContact CD1-CD1 4.5Å; I269-L520 HydrophobicContact CG1-CD2 4.49Å; I269-L520 HydrophobicContact CG2-CD1 3.84Å; I269-V522 HydrophobicContact CG1-CG1 4.43Å
270L84.6Confident83.8Confident0 Ų065.3 Ų65.30%033%0.327CS..EExtended strand (participates in β ladder)trans-96.6-40.5-179.7-48177.9000111.7K221 V247 P249 E268 K289 S521K221-L270 HydrophobicContact CB-CB 4.2Å; K221-L270 HydrophobicContact CB-CD1 4.17Å; K221-L270 HydrophobicContact CB-CD2 3.85Å; K221-L270 HydrophobicContact CB-CG 4.27Å; K221-L270 HydrophobicContact CD-CD2 3.52Å; K221-L270 HydrophobicContact CG-CD2 3.76Å; K221-L270 WeakPolarHBondContact O-CD1 3.46Å; V247-L270 HydrophobicContact CG1-CD2 4.41Å; P249-L270 HydrophobicContact CB-CD1 3.58Å; E268-L270 PolarHBondContact O-N 3.29Å; L270-K289 WeakPolarHBondContact O-CD 3.39Å; L270-K289 VanDerWaalsContact O-CE 3.3Å; L270-K289 WeakPolarHBondContact O-CE 3.46Å; L270-K289 WeakPolarHBondContact O-CG 3.35Å; L270-S521 PolarHBondContact N-O 3.23Å
271E82.1Confident83.4Confident91 Ų9160.3 Ų60.343%0.42530%0.301SS..EExtended strand (participates in β ladder)trans-132.8138.5-179.9-60.3-177.3156.600109.5N222 I269 L520 S521N222-E271 VanDerWaalsContact CG-OE1 3.26Å; N222-E271 PolarHBondContact ND2-OE1 3.28Å; N222-E271 PolarHBondContact OD1-OE1 3.37Å; I269-E271 WeakPolarHBondContact CG2-O 3.44Å; E271-L520 WeakPolarHBondContact O-CD1 3.37Å; E271-S521 PolarHBondContact N-O 3.31Å
272E82.3Confident83.1Confident106 Ų10655.8 Ų55.850%0.49530%0.298SS..PPolyproline II helixtrans-76.6158.1-178.1-61.3-178.2177.500111.2E274 K289E272-E274 PolarHBondContact O-N 2.95Å; E272-K289 HydrophobicContact CG-CB 4.11Å; E272-K289 PolarHBondContact OE1-N 2.74Å
273P80.2Confident83Confident33 Ų3354.9 Ų54.921%0.21429%0.289CS..PPolyproline II helixtrans-57.5134.6173.6-21.932.1000112.7L284 L287 L518 S519 L520P273-L284 HydrophobicContact CG-CD1 4.27Å; P273-L287 WeakPolarHBondContact CD-O 3.19Å; P273-L287 HydrophobicContact CG-CB 4.03Å; P273-L287 HydrophobicContact CG-CD1 4.13Å; P273-L518 HydrophobicContact CB-CD1 3.8Å; P273-L518 HydrophobicContact CG-CD1 4.01Å; P273-S519 VanDerWaalsContact CA-O 3.31Å; P273-S519 WeakPolarHBondContact CA-O 3.47Å; P273-L520 HydrophobicContact CG-CD1 3.97Å
274E69.3Low82.8Confident149 Ų14955 Ų5570%0.69629%0.291SS*.PPolyproline II helixtrans-56.8142.2174.9-70.8179.8-16900111.5E272 R276E272-E274 PolarHBondContact O-N 2.95Å; E274-R276 PolarHBondContact O-N 3.04Å
275S56.3Low82.6Confident125 Ų12558 Ų5887%0.87431%0.31SS*.SBendtrans-52.7-1.8-168.461.70000118.8S277S275-S277 PolarHBondContact O-N 3.15Å
276R59.1Low82.4Confident205 Ų20561.8 Ų61.877%0.77432%0.323SS*.  trans-96.681.2174.6-69.5-175.2-179.1177.26.3110.2E274 F278E274-R276 PolarHBondContact O-N 3.04Å; R276-F278 PolarHBondContact O-N 3.42Å
277S69.1Low82.2Confident61 Ų6161.8 Ų61.843%0.42732%0.323SS..  trans-67.8105.9178.458.50000110.8S275 F279 T548S275-S277 PolarHBondContact O-N 3.15Å; S277-F279 PolarHBondContact O-N 2.85Å; S277-T548 WeakPolarHBondContact O-CG2 3.38Å; S277-T548 PolarHBondContact O-OG1 3.16Å
278F85Confident81.9Confident43 Ų4364.9 Ų64.919%0.18934%0.342CS..  trans-68.9-21.4170.2-74.2-68.2000112.8R276 W517 T548 F551 E554R276-F278 PolarHBondContact O-N 3.42Å; F278-W517 WeakPolarHBondContact CD2-O 3.44Å; F278-T548 WeakPolarHBondContact CA-OG1 3.3Å; F278-T548 PolarHBondContact O-N 2.85Å; F278-T548 PolarHBondContact O-OG1 3.37Å; F278-F551 HydrophobicContact CB-CB 4.16Å; F278-F551 HydrophobicContact CB-CD2 3.97Å; F278-F551 HydrophobicContact CD1-CB 3.75Å; F278-F551 HydrophobicContact CD1-CD2 4.2Å; F278-F551 HydrophobicContact CD1-CG 4.48Å; F278-F551 HydrophobicContact CG-CB 4.4Å; F278-F551 HydrophobicContact CG-CD2 4.29Å; F278-E554 HydrophobicContact CE1-CB 4.41Å; F278-E554 HydrophobicContact CE1-CG 4.02Å; F278-E554 HydrophobicContact CZ-CG 4.36Å
279F86.2Confident81.6Confident7 Ų769.1 Ų69.13%0.03136%0.359CS..BIsolated β-bridgetrans-108.8143.1-172.3-55.9-96.2000111.7S277 W283 L284 L514 W517 L518 M547S277-F279 PolarHBondContact O-N 2.85Å; F279-W283 HydrophobicContact CD1-CZ2 4.45Å; F279-L284 HydrophobicContact CB-CD2 4.25Å; F279-L514 HydrophobicContact CE1-CD1 4.05Å; F279-L514 HydrophobicContact CZ-CB 4.21Å; F279-L514 HydrophobicContact CZ-CD1 4.08Å; F279-L514 HydrophobicContact CZ-CG 4.37Å; F279-W517 HydrophobicContact CE2-CB 3.87Å; F279-W517 HydrophobicContact CZ-CB 3.78Å; F279-L518 HydrophobicContact CE2-CB 4.33Å; F279-M547 HydrophobicContact CB-SD 4.49Å; F279-M547 HydrophobicContact CD1-CE 3.45Å; F279-M547 VanDerWaalsContact CD1-CE 3.45Å; F279-M547 HydrophobicContact CD1-SD 3.5Å; F279-M547 WeakPolarHBondContact CD1-SD 3.44Å; F279-M547 HydrophobicContact CE1-CE 3.52Å; F279-M547 HydrophobicContact CE1-SD 3.85Å; F279-M547 HydrophobicContact CG-SD 4.12Å
280K84.9Confident81.4Confident96 Ų9672.3 Ų72.342%0.41738%0.382SS..  trans-107.140.5169.8-63.5177.4-178.3160.90111.4E546 M547 T548K280-E546 HydrophobicContact CB-CB 4.15Å; K280-E546 HydrophobicContact CB-CG 4.36Å; K280-E546 HydrophobicContact CD-CG 3.95Å; K280-E546 WeakPolarHBondContact CD-OE1 3.23Å; K280-E546 PolarHBondContact N-O 3.24Å; K280-E546 IonicContact NZ-OE1 3.55Å; K280-E546 PolarHBondContact NZ-OE1 2.88Å; K280-M547 PolarHBondContact NZ-O 2.99Å; K280-T548 HydrophobicContact CD-CG2 4.5Å; K280-T548 HydrophobicContact CG-CG2 3.81Å
281C82.4Confident81.7Confident10 Ų1074 Ų747%0.06839%0.392CS..  trans-90.5149.1-174.6-560000112.5W283 L284 P285C281-W283 HydrophobicContact CB-CD2 4.05Å; C281-W283 HydrophobicContact CB-CG 4.12Å; C281-W283 HydrophobicContact CB-CZ2 4.02Å; C281-W283 VanDerWaalsContact CB-NE1 3.27Å; C281-W283 PolarHBondContact O-N 3.04Å; C281-L284 PolarHBondContact O-N 3.27Å; C281-P285 WeakPolarHBondContact O-CD 3.35Å
282A84.5Confident82.2Confident92 Ų9271.9 Ų71.976%0.7638%0.384SS*.THydrogen-bonded Turntrans-66.4-24.1178.700000113.8
283W87.9Confident82.8Confident17 Ų1766.8 Ų66.86%0.06436%0.36CS..THydrogen-bonded Turntrans-81.2-23.617855.5-102.1000113.5F279 C281 R286 L287 F503 F511 L513 L518 E542F279-W283 HydrophobicContact CD1-CZ2 4.45Å; C281-W283 HydrophobicContact CB-CD2 4.05Å; C281-W283 HydrophobicContact CB-CG 4.12Å; C281-W283 HydrophobicContact CB-CZ2 4.02Å; C281-W283 VanDerWaalsContact CB-NE1 3.27Å; C281-W283 PolarHBondContact O-N 3.04Å; W283-R286 WeakPolarHBondContact O-CB 3.41Å; W283-R286 PolarHBondContact O-N 2.88Å; W283-L287 HydrophobicContact CE3-CD1 3.93Å; W283-L287 HydrophobicContact CE3-CG 4.16Å; W283-L287 HydrophobicContact CZ3-CD1 3.65Å; W283-L287 HydrophobicContact CZ3-CG 4.38Å; W283-F503 HydrophobicContact CB-CE2 3.73Å; W283-F503 HydrophobicContact CB-CZ 4.13Å; W283-F511 HydrophobicContact CB-CD1 4.12Å; W283-F511 HydrophobicContact CB-CE1 4.13Å; W283-F511 HydrophobicContact CB-CG 4.36Å; W283-F511 HydrophobicContact CB-CZ 4.36Å; W283-F511 AromaticContact CD1-CG 3.8Å; W283-F511 HydrophobicContact CD2-CB 4.36Å; W283-F511 AromaticContact CD2-CD2 3.53Å; W283-F511 HydrophobicContact CD2-CD2 3.53Å; W283-F511 AromaticContact CD2-CE2 3.87Å; W283-F511 HydrophobicContact CD2-CE2 3.87Å; W283-F511 AromaticContact CD2-CG 3.9Å; W283-F511 HydrophobicContact CD2-CG 3.9Å; W283-F511 AromaticContact CE2-CD2 3.74Å; W283-F511 AromaticContact CE3-CD2 3.77Å; W283-F511 HydrophobicContact CE3-CD2 3.77Å; W283-F511 AromaticContact CE3-CE2 3.68Å; W283-F511 HydrophobicContact CE3-CE2 3.68Å; W283-F511 HydrophobicContact CE3-CZ 4.41Å; W283-F511 HydrophobicContact CG-CB 4.2Å; W283-F511 HydrophobicContact CG-CD1 4.04Å; W283-F511 AromaticContact CG-CD2 3.92Å; W283-F511 HydrophobicContact CG-CD2 3.92Å; W283-F511 HydrophobicContact CG-CE1 4.4Å; W283-F511 HydrophobicContact CG-CE2 4.27Å; W283-F511 AromaticContact CG-CG 3.79Å; W283-F511 HydrophobicContact CG-CG 3.79Å; W283-F511 HydrophobicContact CH2-CD2 4.42Å; W283-F511 HydrophobicContact CZ2-CD2 4.18Å; W283-F511 HydrophobicContact CZ3-CD2 4.22Å; W283-F511 HydrophobicContact CZ3-CE2 4.21Å; W283-F511 AromaticContact NE1-CG 3.92Å; W283-L513 HydrophobicContact CZ3-CD2 4.15Å; W283-L518 HydrophobicContact CH2-CD2 4.49Å; W283-L518 HydrophobicContact CZ3-CD2 4.4Å; W283-E542 PolarHBondContact NE1-OE2 2.95Å
284L88.6Confident83.5Confident25 Ų2565.2 Ų65.213%0.13135%0.35CS..G310 helixtrans-60.8-45.5-174.4-176.773.8000112.5P273 F279 C281 R286 L287 L518P273-L284 HydrophobicContact CG-CD1 4.27Å; F279-L284 HydrophobicContact CB-CD2 4.25Å; C281-L284 PolarHBondContact O-N 3.27Å; L284-R286 PolarHBondContact O-N 3.25Å; L284-R286 VanDerWaalsContact O-N 3.1Å; L284-L287 HydrophobicContact CD1-CD1 4.24Å; L284-L287 WeakPolarHBondContact O-CB 3.17Å; L284-L287 PolarHBondContact O-N 3.4Å; L284-L518 HydrophobicContact CD1-CD1 3.89Å
285P88.3Confident84.8Confident102 Ų10258.2 Ų58.266%0.66232%0.317SS*.G310 helixtrans-64.1-15176.5-22.234.6000114.4C281C281-P285 WeakPolarHBondContact O-CD 3.35Å
286R90.2Very high86.5Confident97 Ų9753.3 Ų53.337%0.36628%0.28SS..G310 helixtrans-87.5-6.1176.9-63-176.664.2-173.6-0.6112.8W283 L284 V288 F503 D505W283-R286 WeakPolarHBondContact O-CB 3.41Å; W283-R286 PolarHBondContact O-N 2.88Å; L284-R286 PolarHBondContact O-N 3.25Å; L284-R286 VanDerWaalsContact O-N 3.1Å; R286-V288 PolarHBondContact O-N 3.41Å; R286-F503 HydrophobicContact CB-CE1 3.71Å; R286-F503 HydrophobicContact CB-CE2 4.1Å; R286-F503 HydrophobicContact CB-CZ 3.39Å; R286-F503 HydrophobicContact CG-CZ 4.4Å; R286-D505 IonicContact CZ-OD1 3.92Å; R286-D505 IonicContact CZ-OD2 2.83Å; R286-D505 IonicContact NH1-OD1 3.89Å; R286-D505 IonicContact NH1-OD2 3.95Å; R286-D505 VanDerWaalsContact NH2-CG 3.27Å; R286-D505 IonicContact NH2-OD1 3.05Å; R286-D505 PolarHBondContact NH2-OD1 2.85Å; R286-D505 IonicContact NH2-OD2 2.62Å; R286-D505 PolarHBondContact NH2-OD2 3.28Å
287L89.9Confident88.2Confident4 Ų449.5 Ų49.52%0.02127%0.269CS..  trans-79.763.2174.1-61.1-168.8000110.9I269 P273 W283 L284 L293 F503 F511 L513 L518 L520I269-L287 HydrophobicContact CD1-CB 4.02Å; I269-L287 HydrophobicContact CD1-CD2 3.86Å; P273-L287 WeakPolarHBondContact CD-O 3.19Å; P273-L287 HydrophobicContact CG-CB 4.03Å; P273-L287 HydrophobicContact CG-CD1 4.13Å; W283-L287 HydrophobicContact CE3-CD1 3.93Å; W283-L287 HydrophobicContact CE3-CG 4.16Å; W283-L287 HydrophobicContact CZ3-CD1 3.65Å; W283-L287 HydrophobicContact CZ3-CG 4.38Å; L284-L287 HydrophobicContact CD1-CD1 4.24Å; L284-L287 WeakPolarHBondContact O-CB 3.17Å; L284-L287 PolarHBondContact O-N 3.4Å; L287-L293 HydrophobicContact CD2-CD1 4Å; L287-L293 HydrophobicContact CD2-CD2 3.9Å; L287-F503 HydrophobicContact CD2-CE1 4.01Å; L287-F503 HydrophobicContact CD2-CZ 3.98Å; L287-F511 HydrophobicContact CD2-CZ 4.38Å; L287-L513 HydrophobicContact CD1-CD2 4Å; L287-L518 HydrophobicContact CD1-CD2 4.21Å; L287-L520 HydrophobicContact CD1-CD2 4.49Å
288V87.3Confident89.4Confident66 Ų6649.4 Ų49.440%0.426%0.261SS..  trans-97.3152.5178.7-89.30000111.3R286 T291R286-V288 PolarHBondContact O-N 3.41Å; V288-T291 WeakPolarHBondContact CG2-OG1 3.23Å; V288-T291 WeakPolarHBondContact O-CB 3.2Å; V288-T291 PolarHBondContact O-N 3.08Å; V288-T291 VanDerWaalsContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 3.24Å
289K86.4Confident89.7Confident123 Ų12349 Ų4954%0.53527%0.27SS..THydrogen-bonded Turntrans-52.2141.2-179.6-176170.5-176.7171.40111.5L270 E272 T291L270-K289 WeakPolarHBondContact O-CD 3.39Å; L270-K289 VanDerWaalsContact O-CE 3.3Å; L270-K289 WeakPolarHBondContact O-CE 3.46Å; L270-K289 WeakPolarHBondContact O-CG 3.35Å; E272-K289 HydrophobicContact CG-CB 4.11Å; E272-K289 PolarHBondContact OE1-N 2.74Å; K289-T291 PolarHBondContact O-N 3.1Å
290S84.6Confident90.1Very high67 Ų6753.2 Ų53.247%0.46930%0.296SS..THydrogen-bonded Turntrans64.217.7-177.3-73.50000116E268 I269E268-S290 VanDerWaalsContact OE1-CA 3.26Å; E268-S290 WeakPolarHBondContact OE1-CA 3.29Å; E268-S290 VanDerWaalsContact OE1-CB 3.29Å; E268-S290 WeakPolarHBondContact OE1-CB 3.46Å; E268-S290 PolarHBondContact OE1-OG 2.83Å; I269-S290 PolarHBondContact O-N 2.62Å
291T90.6Very high90.4Very high36 Ų3649.2 Ų49.222%0.22128%0.28CS..PPolyproline II helixtrans-83.6136.8166.5-56.80000110.4I269 V288 K289 F503I269-T291 WeakPolarHBondContact CG1-O 3.2Å; I269-T291 PolarHBondContact N-O 3.12Å; V288-T291 WeakPolarHBondContact CG2-OG1 3.23Å; V288-T291 WeakPolarHBondContact O-CB 3.2Å; V288-T291 PolarHBondContact O-N 3.08Å; V288-T291 VanDerWaalsContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 3.24Å; K289-T291 PolarHBondContact O-N 3.1Å; T291-F503 HydrophobicContact CG2-CD1 4.11Å; T291-F503 HydrophobicContact CG2-CE1 4.26Å
292N93.2Very high90.9Very high45 Ų4550.5 Ų50.524%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-89.2124.7173.6-73.2-17.7000111V266 A267 E268 T504V266-N292 HydrophobicContact CG1-CB 4.03Å; A267-N292 WeakPolarHBondContact O-CA 3.22Å; E268-N292 WeakPolarHBondContact CB-OD1 3.48Å; N292-T504 HydrophobicContact CB-CG2 3.85Å
293L95Very high91.3Very high0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-103.9156.5170.5-60178.8000109.8V266 A267 I269 L287 L295 S502 F503 F511 L513 L520V266-L293 CarbonylContact C-O 3.6Å; V266-L293 WeakPolarHBondContact CA-O 3.31Å; A267-L293 PolarHBondContact N-O 3.46Å; A267-L293 PolarHBondContact O-N 3.08Å; I269-L293 HydrophobicContact CD1-CD1 3.85Å; I269-L293 HydrophobicContact CD1-CD2 4.37Å; I269-L293 HydrophobicContact CD1-CG 3.99Å; I269-L293 HydrophobicContact CG1-CD1 3.9Å; I269-L293 HydrophobicContact CG1-CG 4.07Å; L287-L293 HydrophobicContact CD2-CD1 4Å; L287-L293 HydrophobicContact CD2-CD2 3.9Å; L293-L295 HydrophobicContact CB-CD2 4.33Å; L293-S502 WeakPolarHBondContact CA-O 3.48Å; L293-F503 HydrophobicContact CD2-CD1 3.55Å; L293-F503 HydrophobicContact CD2-CE1 3.51Å; L293-F503 HydrophobicContact CD2-CG 4.39Å; L293-F503 HydrophobicContact CD2-CZ 4.33Å; L293-F511 HydrophobicContact CD2-CZ 4.39Å; L293-L513 HydrophobicContact CD1-CD1 4.38Å; L293-L520 HydrophobicContact CD1-CD2 4.23Å
294I95.2Very high91.5Very high0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-108.6117.7166-49.6172.9000107.6V265 A501 S502 T504 P507 L529 P530 W531V265-I294 WeakPolarHBondContact O-CA 3.31Å; I294-A501 CarbonylContact O-C 2.83Å; I294-A501 WeakPolarHBondContact O-CA 3.37Å; I294-S502 PolarHBondContact N-O 2.82Å; I294-S502 PolarHBondContact O-N 2.88Å; I294-T504 HydrophobicContact CD1-CG2 4.21Å; I294-T504 HydrophobicContact CG1-CG2 3.84Å; I294-P507 HydrophobicContact CD1-CB 4.03Å; I294-L529 HydrophobicContact CG2-CD2 3.89Å; I294-P530 HydrophobicContact CD1-CG 3.48Å; I294-P530 VanDerWaalsContact CD1-CG 3.48Å; I294-W531 HydrophobicContact CD1-CH2 4Å; I294-W531 HydrophobicContact CD1-CZ3 3.57Å; I294-W531 HydrophobicContact CG2-CH2 3.77Å; I294-W531 HydrophobicContact CG2-CZ3 4.45Å
295L95.5Very high91.8Very high1 Ų144.8 Ų44.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-91.2109.1173.7-49.6-176.3000107.2V255 F263 P264 V265 A267 L293 I499 A501 L513 F524V255-L295 HydrophobicContact CG1-CD1 3.82Å; F263-L295 HydrophobicContact CD1-CB 3.96Å; F263-L295 HydrophobicContact CE1-CB 3.86Å; F263-L295 HydrophobicContact CE1-CD1 4.42Å; P264-L295 CarbonylContact C-O 3.58Å; P264-L295 WeakPolarHBondContact CA-O 3.46Å; V265-L295 HydrophobicContact CG1-CB 4.1Å; V265-L295 HydrophobicContact CG1-CD1 4.43Å; V265-L295 PolarHBondContact N-O 2.82Å; V265-L295 PolarHBondContact O-N 2.77Å; A267-L295 HydrophobicContact CB-CD1 3.78Å; A267-L295 HydrophobicContact CB-CG 3.94Å; L293-L295 HydrophobicContact CB-CD2 4.33Å; L295-I499 HydrophobicContact CB-CG2 4.22Å; L295-I499 HydrophobicContact CD2-CG2 4.01Å; L295-I499 HydrophobicContact CG-CG2 4.49Å; L295-A501 HydrophobicContact CD2-CB 3.91Å; L295-L513 HydrophobicContact CD2-CD1 4.2Å; L295-F524 HydrophobicContact CD1-CE1 3.76Å; L295-F524 HydrophobicContact CD1-CZ 4.49Å
296H93.4Very high92.1Very high22 Ų2239.9 Ų39.910%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-81.2-46.8-172-73.9-86.7000112.6F263 Q500 S502 P507 C510 W531F263-H296 WeakPolarHBondContact CB-O 3.37Å; H296-Q500 HydrophobicContact CB-CB 4.41Å; H296-Q500 HydrophobicContact CB-CG 4.27Å; H296-Q500 PolarHBondContact N-O 2.93Å; H296-S502 WeakPolarHBondContact NE2-CB 3.28Å; H296-S502 PolarHBondContact NE2-OG 3.45Å; H296-P507 PolarHBondContact NE2-O 2.94Å; H296-C510 VanDerWaalsContact CD2-SG 3.58Å; H296-C510 PolarHBondContact NE2-SG 2.75Å; H296-W531 AromaticContact CE1-CH2 3.46Å; H296-W531 VanDerWaalsContact CE1-CH2 3.46Å; H296-W531 WeakPolarHBondContact CE1-CH2 3.25Å; H296-W531 AromaticContact ND1-CH2 3.89Å
297K93.1Very high92.3Very high126 Ų12635.4 Ų35.455%0.54820%0.197SC..EExtended strand (participates in β ladder)trans-164.4160.2179.557.3176.8173.3178.70110.6Q500K297-Q500 HydrophobicContact CG-CB 4.02Å; K297-Q500 PolarHBondContact O-N 2.72Å
298K94.3Very high92.5Very high58 Ų5835.6 Ų35.625%0.25220%0.199SC..EExtended strand (participates in β ladder)trans-106.3160.916959.7170.7-167.2164.40110.8L256 Q258 D260 F263 S498L256-K298 HydrophobicContact CD2-CB 3.84Å; L256-K298 WeakPolarHBondContact O-CD 3.49Å; L256-K298 PolarHBondContact O-NZ 2.83Å; Q258-K298 WeakPolarHBondContact O-CE 3.32Å; Q258-K298 PolarHBondContact O-NZ 2.85Å; D260-K298 WeakPolarHBondContact OD1-CE 3.47Å; D260-K298 IonicContact OD1-NZ 3.47Å; F263-K298 HydrophobicContact CD2-CG 4.49Å; F263-K298 HydrophobicContact CE2-CD 3.97Å; F263-K298 HydrophobicContact CE2-CG 4.02Å; F263-K298 HydrophobicContact CZ-CB 4.37Å; F263-K298 HydrophobicContact CZ-CD 4.37Å; F263-K298 HydrophobicContact CZ-CG 4.35Å; K298-S498 WeakPolarHBondContact CA-O 3.43Å
299G92.5Very high92.2Very high36 Ų3635.8 Ų35.837%0.37120%0.198SC..EExtended strand (participates in β ladder)trans171-171.5172.900000112.3S498G299-S498 PolarHBondContact N-O 3.21Å; G299-S498 PolarHBondContact O-N 3.5Å; G299-S498 PolarHBondContact O-OG 2.89Å; G299-S498 VanDerWaalsContact O-OG 3.04Å
300T93.6Very high91.6Very high95 Ų9538.4 Ų38.458%0.58321%0.209SC*.EExtended strand (participates in β ladder)trans-110.5124174.8-54.70000108.6L495 E496T300-L495 HydrophobicContact CG2-CB 3.93Å; T300-L495 HydrophobicContact CG2-CD2 4.49Å; T300-E496 CarbonylContact C-O 3.51Å; T300-E496 WeakPolarHBondContact CA-O 3.49Å
301T91.3Very high90.9Very high12 Ų1238.1 Ų38.17%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-108.6123.7-178-58.40000109.8M303 E496 S498T301-M303 HydrophobicContact CG2-CE 3.42Å; T301-M303 VanDerWaalsContact CG2-CE 3.42Å; T301-M303 HydrophobicContact CG2-CG 4.34Å; T301-M303 HydrophobicContact CG2-SD 3.78Å; T301-M303 PolarHBondContact O-N 3.4Å; T301-E496 PolarHBondContact N-O 2.99Å; T301-E496 PolarHBondContact O-N 3.06Å; T301-S498 PolarHBondContact OG1-OG 2.86Å
302P92.7Very high89.5Confident36 Ų3648.9 Ų48.923%0.23425%0.253CS..EExtended strand (participates in β ladder)trans-72.6121.6172.329.3-32.9000110.2Q322 L495P302-Q322 HydrophobicContact CB-CB 4.32Å; P302-Q322 HydrophobicContact CB-CG 4.02Å; P302-Q322 HydrophobicContact CG-CB 4.14Å; P302-Q322 HydrophobicContact CG-CG 4.39Å; P302-Q322 PolarHBondContact O-N 2.93Å; P302-L495 HydrophobicContact CB-CD2 3.8Å
303M92.9Very high88.5Confident9 Ų955.2 Ų55.24%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-123.3154.8-177.2-58.9-68-164.700110.3T301 L319 V320 S321 A493 M494 E496 H512 L514T301-M303 HydrophobicContact CG2-CE 3.42Å; T301-M303 VanDerWaalsContact CG2-CE 3.42Å; T301-M303 HydrophobicContact CG2-CG 4.34Å; T301-M303 HydrophobicContact CG2-SD 3.78Å; T301-M303 PolarHBondContact O-N 3.4Å; M303-L319 HydrophobicContact CB-CD1 3.77Å; M303-L319 HydrophobicContact CB-CD2 4.38Å; M303-L319 HydrophobicContact CB-CG 3.97Å; M303-L319 HydrophobicContact CG-CD2 4.29Å; M303-L319 HydrophobicContact CG-CG 4.29Å; M303-V320 CarbonylContact C-O 3.47Å; M303-V320 WeakPolarHBondContact CA-O 3.24Å; M303-S321 WeakPolarHBondContact SD-CA 3.43Å; M303-A493 WeakPolarHBondContact O-CA 3.41Å; M303-M494 HydrophobicContact CB-CG 3.96Å; M303-M494 PolarHBondContact N-O 3.32Å; M303-M494 PolarHBondContact O-N 2.83Å; M303-E496 HydrophobicContact CG-CB 4.45Å; M303-H512 HydrophobicContact CE-CB 4.42Å; M303-L514 HydrophobicContact CE-CD2 4.45Å
304V93.9Very high87.8Confident5 Ų561 Ų613%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-128131.4177.7179.90000108.4L306 V320 Q322 L455 I490 G492 A493V304-L306 HydrophobicContact CG1-CD1 4.29Å; V304-V320 PolarHBondContact N-O 2.88Å; V304-V320 PolarHBondContact O-N 2.85Å; V304-Q322 HydrophobicContact CG2-CG 3.87Å; V304-L455 HydrophobicContact CB-CD1 4.35Å; V304-L455 HydrophobicContact CB-CD2 4.21Å; V304-L455 HydrophobicContact CB-CG 4.41Å; V304-L455 HydrophobicContact CG1-CD1 4.18Å; V304-L455 HydrophobicContact CG2-CD1 4.32Å; V304-L455 HydrophobicContact CG2-CD2 4.24Å; V304-L455 HydrophobicContact CG2-CG 4.09Å; V304-I490 HydrophobicContact CG1-CB 4.47Å; V304-I490 HydrophobicContact CG1-CG1 4.45Å; V304-I490 HydrophobicContact CG1-CG2 3.39Å; V304-G492 WeakPolarHBondContact CA-O 3.46Å; V304-A493 HydrophobicContact CG2-CB 4.33Å
305L94.3Very high87.5Confident0 Ų062.8 Ų62.80%032%0.322CS..EExtended strand (participates in β ladder)trans-89.2123.7174.1-176.859.1000109.4E491 G492 M494 F551 F552 F555L305-E491 HydrophobicContact CB-CB 4.32Å; L305-E491 HydrophobicContact CD2-CB 4.26Å; L305-E491 HydrophobicContact CG-CB 4.16Å; L305-E491 HydrophobicContact CG-CG 4.48Å; L305-E491 PolarHBondContact O-N 3.05Å; L305-G492 PolarHBondContact N-O 3.23Å; L305-M494 HydrophobicContact CB-CE 3.92Å; L305-F551 HydrophobicContact CD1-CD1 4.3Å; L305-F551 HydrophobicContact CD1-CE1 3.95Å; L305-F551 HydrophobicContact CD2-CE1 4.32Å; L305-F552 HydrophobicContact CD2-CD2 3.92Å; L305-F555 HydrophobicContact CD2-CB 4.13Å; L305-F555 HydrophobicContact CD2-CD1 3.28Å; L305-F555 HydrophobicContact CD2-CD2 4.48Å; L305-F555 HydrophobicContact CD2-CE1 3.76Å; L305-F555 HydrophobicContact CD2-CG 3.69Å
306L94.9Very high87.3Confident0 Ų065.3 Ų65.30%033%0.334CS..EExtended strand (participates in β ladder)trans-112.9147.9171.6-64.1107.6000111V304 Y317 F318 V320 F328 V468 L488 R489 I490V304-L306 HydrophobicContact CG1-CD1 4.29Å; L306-Y317 CarbonylContact O-C 3.5Å; L306-Y317 WeakPolarHBondContact O-CA 3.09Å; L306-F318 HydrophobicContact CB-CB 4.49Å; L306-F318 PolarHBondContact N-O 2.79Å; L306-F318 PolarHBondContact O-N 2.98Å; L306-V320 HydrophobicContact CD1-CB 3.69Å; L306-V320 HydrophobicContact CD1-CG2 3.32Å; L306-F328 HydrophobicContact CD2-CE1 4.22Å; L306-V468 HydrophobicContact CD2-CG2 4.17Å; L306-L488 HydrophobicContact CD2-CB 4.05Å; L306-L488 HydrophobicContact CD2-CD1 4.28Å; L306-R489 CarbonylContact C-O 3.44Å; L306-R489 WeakPolarHBondContact CA-O 3.32Å; L306-I490 HydrophobicContact CD2-CG1 3.73Å; L306-I490 HydrophobicContact CG-CG1 4.16Å
307S94.4Very high87.3Confident2 Ų264.5 Ų64.51%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-123.5149.4169.980.10000110.7Q315 Q316 L488 R489 E491S307-Q315 PolarHBondContact OG-NE2 3.32Å; S307-Q316 CarbonylContact C-O 3.5Å; S307-Q316 WeakPolarHBondContact CA-O 3.5Å; S307-L488 CarbonylContact O-C 3.47Å; S307-L488 WeakPolarHBondContact O-CA 3.37Å; S307-R489 PolarHBondContact N-O 3.17Å; S307-R489 PolarHBondContact O-N 3.13Å; S307-E491 WeakPolarHBondContact CB-OE1 3.44Å; S307-E491 PolarHBondContact OG-OE1 3.45Å
308S92.7Very high87.3Confident9 Ų958.8 Ų58.86%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-75152.5164.170.60000109.8Q315 Q316S308-Q315 VanDerWaalsContact O-CG 3.26Å; S308-Q315 WeakPolarHBondContact O-CG 3.45Å; S308-Q315 PolarHBondContact O-NE2 2.84Å; S308-Q316 PolarHBondContact N-O 3.27Å; S308-Q316 PolarHBondContact OG-N 3.05Å
309L82.9Confident87.3Confident70 Ų7056.3 Ų56.337%0.36629%0.294SS..PPolyproline II helixtrans-61.2147171-66.3-178000111.4G311 C487L309-G311 PolarHBondContact O-N 3.29Å; L309-C487 HydrophobicContact CD1-CB 3.54Å; L309-C487 HydrophobicContact CG-CB 4.03Å
310K73.6Confident87.4Confident178 Ų17854.6 Ų54.677%0.77428%0.277SS*.SBendtrans-66122.6174.8-69.6-179.1-179.2176.80109Q315K310-Q315 VanDerWaalsContact CE-OE1 3.32Å
311G68.8Low87.4Confident60 Ų6050.2 Ų50.262%0.61925%0.25SS*.SBendtrans-148-156.818000000111.5L309 K313L309-G311 PolarHBondContact O-N 3.29Å; G311-K313 PolarHBondContact O-N 3.14Å
312R60.5Low87.4Confident262 Ų26252 Ų5299%0.98926%0.258SS*.SBendtrans-69.8-20177.9-64.3-176.8-177.1178.11.1113.7
313K73.6Confident87.2Confident179 Ų17956.6 Ų56.678%0.77828%0.276SS*.SBendtrans-93155.1176-66.4-175.4178.8-178.10109.8G311 Q315G311-K313 PolarHBondContact O-N 3.14Å; K313-Q315 PolarHBondContact O-N 3.2Å
314T79.7Confident87.3Confident121 Ų12156.4 Ų56.474%0.74228%0.275SS*.PPolyproline II helixtrans-54132.7170.448.50000110Q316T314-Q316 PolarHBondContact O-N 3.11Å
315Q88.1Confident87.2Confident37 Ų3757.7 Ų57.717%0.17329%0.289CS..PPolyproline II helixtrans-62.3135.9177.3-164.9170.2700109.4S307 S308 K310 K313 Y317S307-Q315 PolarHBondContact OG-NE2 3.32Å; S308-Q315 VanDerWaalsContact O-CG 3.26Å; S308-Q315 WeakPolarHBondContact O-CG 3.45Å; S308-Q315 PolarHBondContact O-NE2 2.84Å; K310-Q315 VanDerWaalsContact CE-OE1 3.32Å; K313-Q315 PolarHBondContact O-N 3.2Å; Q315-Y317 HydrophobicContact CB-CE2 4.44Å; Q315-Y317 HydrophobicContact CG-CE1 4.07Å; Q315-Y317 HydrophobicContact CG-CE2 4.44Å; Q315-Y317 PolarHBondContact OE1-OH 3.44Å
316Q91.9Very high87.1Confident55 Ų5557.7 Ų57.726%0.25729%0.289SS..  trans-112.2146.2179-63.2-175.5-89.100109.8S307 S308 T314 F318 F485 E546S307-Q316 CarbonylContact C-O 3.5Å; S307-Q316 WeakPolarHBondContact CA-O 3.5Å; S308-Q316 PolarHBondContact N-O 3.27Å; S308-Q316 PolarHBondContact OG-N 3.05Å; T314-Q316 PolarHBondContact O-N 3.11Å; Q316-F318 HydrophobicContact CB-CE2 3.79Å; Q316-F318 HydrophobicContact CB-CZ 3.9Å; Q316-F485 HydrophobicContact CB-CZ 4.45Å; Q316-F485 VanDerWaalsContact OE1-CZ 3.27Å; Q316-E546 PolarHBondContact NE2-OE1 2.83Å
317Y93.7Very high87.1Confident5 Ų561.5 Ų61.52%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-125137.9-178-55.4-77.4000109.1L306 Q315 E546 M547 D549 F552L306-Y317 CarbonylContact O-C 3.5Å; L306-Y317 WeakPolarHBondContact O-CA 3.09Å; Q315-Y317 HydrophobicContact CB-CE2 4.44Å; Q315-Y317 HydrophobicContact CG-CE1 4.07Å; Q315-Y317 HydrophobicContact CG-CE2 4.44Å; Q315-Y317 PolarHBondContact OE1-OH 3.44Å; Y317-E546 CarbonylContact O-C 3.52Å; Y317-E546 WeakPolarHBondContact O-CA 3.49Å; Y317-E546 WeakPolarHBondContact O-CG 3.39Å; Y317-M547 PolarHBondContact O-N 2.84Å; Y317-D549 HydrophobicContact CE2-CB 4.25Å; Y317-D549 VanDerWaalsContact CE2-OD1 3.24Å; Y317-D549 WeakPolarHBondContact CE2-OD1 3.4Å; Y317-F552 HydrophobicContact CD1-CB 3.8Å; Y317-F552 AromaticContact CD1-CD2 3.53Å; Y317-F552 HydrophobicContact CD1-CD2 3.53Å; Y317-F552 HydrophobicContact CD1-CE2 4.26Å; Y317-F552 AromaticContact CD1-CG 3.68Å; Y317-F552 HydrophobicContact CD1-CG 3.68Å; Y317-F552 HydrophobicContact CD2-CB 4.16Å; Y317-F552 HydrophobicContact CE1-CB 3.83Å; Y317-F552 AromaticContact CE1-CD1 3.74Å; Y317-F552 HydrophobicContact CE1-CD1 3.74Å; Y317-F552 AromaticContact CE1-CD2 3.43Å; Y317-F552 HydrophobicContact CE1-CD2 3.43Å; Y317-F552 VanDerWaalsContact CE1-CD2 3.43Å; Y317-F552 HydrophobicContact CE1-CE1 4.15Å; Y317-F552 AromaticContact CE1-CE2 3.89Å; Y317-F552 HydrophobicContact CE1-CE2 3.89Å; Y317-F552 AromaticContact CE1-CG 3.36Å; Y317-F552 HydrophobicContact CE1-CG 3.36Å; Y317-F552 HydrophobicContact CE1-CZ 4.22Å; Y317-F552 HydrophobicContact CE2-CB 4.19Å; Y317-F552 HydrophobicContact CE2-CG 4.45Å; Y317-F552 HydrophobicContact CG-CB 3.97Å; Y317-F552 HydrophobicContact CG-CD2 4.47Å; Y317-F552 HydrophobicContact CG-CG 4.35Å; Y317-F552 AromaticContact CZ-CD1 3.86Å; Y317-F552 AromaticContact CZ-CG 3.79Å
318F94.3Very high87.1Confident5 Ų561.4 Ų61.42%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-131.6127-177.6-58.3-81.6000109.6L306 Q316 V320 P481 L482 F485 V544 S545 E546L306-F318 HydrophobicContact CB-CB 4.49Å; L306-F318 PolarHBondContact N-O 2.79Å; L306-F318 PolarHBondContact O-N 2.98Å; Q316-F318 HydrophobicContact CB-CE2 3.79Å; Q316-F318 HydrophobicContact CB-CZ 3.9Å; F318-V320 HydrophobicContact CB-CG2 4.04Å; F318-P481 HydrophobicContact CE1-CB 4.26Å; F318-L482 HydrophobicContact CB-CD2 4.03Å; F318-L482 HydrophobicContact CD1-CD2 4.13Å; F318-L482 HydrophobicContact CD2-CD2 3.88Å; F318-L482 HydrophobicContact CE2-CD2 4.4Å; F318-L482 HydrophobicContact CG-CD2 3.73Å; F318-F485 HydrophobicContact CE2-CD2 4.46Å; F318-F485 AromaticContact CE2-CE2 3.6Å; F318-F485 HydrophobicContact CE2-CE2 3.6Å; F318-F485 AromaticContact CE2-CZ 3.63Å; F318-F485 HydrophobicContact CE2-CZ 3.63Å; F318-F485 AromaticContact CZ-CE2 3.61Å; F318-F485 HydrophobicContact CZ-CE2 3.61Å; F318-F485 AromaticContact CZ-CZ 3.66Å; F318-F485 HydrophobicContact CZ-CZ 3.66Å; F318-V544 HydrophobicContact CB-CG1 4.32Å; F318-V544 HydrophobicContact CD1-CG1 4.05Å; F318-S545 CarbonylContact C-O 3.56Å; F318-S545 WeakPolarHBondContact CA-O 3.45Å; F318-E546 HydrophobicContact CD1-CB 4.15Å; F318-E546 HydrophobicContact CD1-CG 4.26Å; F318-E546 HydrophobicContact CE1-CB 4.08Å; F318-E546 HydrophobicContact CE1-CG 3.95Å
319L93.9Very high87.2Confident6 Ų664.5 Ų64.53%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-91.8123.2164.6-166.768.3000108.3M303 M494 L514 S545 M547 F551M303-L319 HydrophobicContact CB-CD1 3.77Å; M303-L319 HydrophobicContact CB-CD2 4.38Å; M303-L319 HydrophobicContact CB-CG 3.97Å; M303-L319 HydrophobicContact CG-CD2 4.29Å; M303-L319 HydrophobicContact CG-CG 4.29Å; L319-M494 HydrophobicContact CD1-CE 3.63Å; L319-M494 HydrophobicContact CD1-SD 3.88Å; L319-L514 HydrophobicContact CD2-CD1 3.5Å; L319-L514 VanDerWaalsContact CD2-CD1 3.5Å; L319-S545 PolarHBondContact N-O 2.88Å; L319-S545 PolarHBondContact O-N 3.35Å; L319-M547 HydrophobicContact CB-CE 3.17Å; L319-M547 HydrophobicContact CB-CG 4.03Å; L319-M547 HydrophobicContact CB-SD 4.43Å; L319-M547 HydrophobicContact CD2-CE 3.71Å; L319-M547 HydrophobicContact CG-CE 4.07Å; L319-F551 HydrophobicContact CD1-CZ 4.34Å; L319-F551 HydrophobicContact CD2-CZ 4.41Å
320V94.4Very high87.7Confident0 Ų062.7 Ų62.70%030%0.301CS..EExtended strand (participates in β ladder)trans-124.3126.2-172.6-175.60000110M303 V304 L306 F318 Y324 L455 L482 K543 V544M303-V320 CarbonylContact C-O 3.47Å; M303-V320 WeakPolarHBondContact CA-O 3.24Å; V304-V320 PolarHBondContact N-O 2.88Å; V304-V320 PolarHBondContact O-N 2.85Å; L306-V320 HydrophobicContact CD1-CB 3.69Å; L306-V320 HydrophobicContact CD1-CG2 3.32Å; F318-V320 HydrophobicContact CB-CG2 4.04Å; V320-Y324 HydrophobicContact CG1-CD1 4.4Å; V320-Y324 HydrophobicContact CG1-CD2 4.33Å; V320-Y324 HydrophobicContact CG1-CG 3.88Å; V320-L455 HydrophobicContact CB-CD2 3.94Å; V320-L455 HydrophobicContact CG1-CD2 3.43Å; V320-L455 VanDerWaalsContact CG1-CD2 3.43Å; V320-L482 HydrophobicContact CG1-CD1 4.36Å; V320-L482 HydrophobicContact CG2-CD1 3.92Å; V320-L482 HydrophobicContact CG2-CD2 4.48Å; V320-K543 CarbonylContact C-O 3.6Å; V320-K543 WeakPolarHBondContact CA-O 3.46Å; V320-V544 HydrophobicContact CG1-CG2 4.04Å; V320-V544 HydrophobicContact CG2-CB 4.48Å; V320-V544 HydrophobicContact CG2-CG1 4.01Å; V320-V544 HydrophobicContact CG2-CG2 4.17Å
321S93.1Very high88.6Confident3 Ų358.7 Ų58.72%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-63.9138.3172179.90000110.3M303 Q323 Y324 K543M303-S321 WeakPolarHBondContact SD-CA 3.43Å; S321-Q323 PolarHBondContact O-N 2.96Å; S321-Q323 PolarHBondContact OG-N 3.48Å; S321-Y324 WeakPolarHBondContact O-CB 3.37Å; S321-Y324 PolarHBondContact O-N 3.12Å; S321-K543 PolarHBondContact N-O 3.42Å
322Q90.9Very high89.6Confident51 Ų5158.4 Ų58.424%0.23827%0.268CS..THydrogen-bonded Turntrans-62.2-11.4173-70.4-170.24.100113.5P302 V304 Y324 C456P302-Q322 HydrophobicContact CB-CB 4.32Å; P302-Q322 HydrophobicContact CB-CG 4.02Å; P302-Q322 HydrophobicContact CG-CB 4.14Å; P302-Q322 HydrophobicContact CG-CG 4.39Å; P302-Q322 PolarHBondContact O-N 2.93Å; V304-Q322 HydrophobicContact CG2-CG 3.87Å; Q322-Y324 PolarHBondContact O-N 3.41Å; Q322-C456 HydrophobicContact CB-CB 4.16Å
323Q89.5Confident91.1Very high131 Ų13146.3 Ų46.361%0.61222%0.223SC*.THydrogen-bonded Turntrans-78.1-1.8171.7-58.5-179.31000113.5S321 G325 K543S321-Q323 PolarHBondContact O-N 2.96Å; S321-Q323 PolarHBondContact OG-N 3.48Å; Q323-G325 PolarHBondContact O-N 3.37Å; Q323-K543 PolarHBondContact O-NZ 3.28Å
324Y93.4Very high91.9Very high5 Ų543.9 Ų43.92%0.0221%0.214CC..  trans-56.5124.1173.8175.1-100.1000111V320 S321 Q322 F328 D474 L477 D480 L482 V544V320-Y324 HydrophobicContact CG1-CD1 4.4Å; V320-Y324 HydrophobicContact CG1-CD2 4.33Å; V320-Y324 HydrophobicContact CG1-CG 3.88Å; S321-Y324 WeakPolarHBondContact O-CB 3.37Å; S321-Y324 PolarHBondContact O-N 3.12Å; Q322-Y324 PolarHBondContact O-N 3.41Å; Y324-F328 AromaticContact CD1-CE2 3.6Å; Y324-F328 HydrophobicContact CD1-CE2 3.6Å; Y324-F328 AromaticContact CD1-CZ 3.91Å; Y324-F328 HydrophobicContact CD1-CZ 3.91Å; Y324-F328 AromaticContact CE1-CE2 3.49Å; Y324-F328 HydrophobicContact CE1-CE2 3.49Å; Y324-F328 VanDerWaalsContact CE1-CE2 3.49Å; Y324-F328 AromaticContact CE1-CZ 3.59Å; Y324-F328 HydrophobicContact CE1-CZ 3.59Å; Y324-D474 HydrophobicContact CD2-CB 3.77Å; Y324-D474 HydrophobicContact CE2-CB 3.4Å; Y324-D474 VanDerWaalsContact CE2-CB 3.4Å; Y324-L477 HydrophobicContact CD2-CD1 4.12Å; Y324-L477 HydrophobicContact CE2-CD1 3.82Å; Y324-D480 VanDerWaalsContact OH-CG 3.28Å; Y324-D480 PolarHBondContact OH-OD1 3.43Å; Y324-D480 PolarHBondContact OH-OD2 2.82Å; Y324-L482 HydrophobicContact CE1-CD1 4.17Å; Y324-L482 HydrophobicContact CE2-CD1 4.07Å; Y324-V544 HydrophobicContact CD2-CG2 3.76Å; Y324-V544 HydrophobicContact CE2-CG2 3.98Å
325G91.9Very high92.5Very high32 Ų3238.8 Ų38.833%0.3318%0.182SC..  trans-82.1-13.9-169.800000114.5Q323 R327 D474Q323-G325 PolarHBondContact O-N 3.37Å; G325-R327 PolarHBondContact O-NH1 3.49Å; G325-D474 VanDerWaalsContact N-CG 3.32Å; G325-D474 PolarHBondContact N-OD2 3.36Å
326G93.3Very high92.6Very high0 Ų040.7 Ų40.70%019%0.193CC..  trans-63167.817900000113.3S472G326-S472 CarbonylContact C-O 3.59Å; G326-S472 WeakPolarHBondContact CA-O 3.26Å
327R95.2Very high92.7Very high81 Ų8138.5 Ų38.531%0.30618%0.184SC..EExtended strand (participates in β ladder)trans-117.3136.6178.7-64.5-70.1-176.4-91.8-5.4110.6G325 K452 Y453 V470 V471 S472G325-R327 PolarHBondContact O-NH1 3.49Å; R327-K452 HydrophobicContact CB-CB 4.38Å; R327-Y453 WeakPolarHBondContact CA-O 2.98Å; R327-Y453 WeakPolarHBondContact CD-O 3.43Å; R327-V470 WeakPolarHBondContact O-CA 3.47Å; R327-V471 HydrophobicContact CB-CG2 4.06Å; R327-V471 VanDerWaalsContact O-CG2 3.31Å; R327-V471 WeakPolarHBondContact O-CG2 3.3Å; R327-V471 PolarHBondContact O-N 2.9Å; R327-S472 PolarHBondContact N-O 3.47Å; R327-S472 PolarHBondContact O-N 2.81Å
328F94.8Very high92.6Very high0 Ų038.3 Ų38.30%018%0.183CC..EExtended strand (participates in β ladder)trans-107.5153.7179.5-65.9-94.8000110.6L306 Y324 K452 Y453 L455 L458 V468 K469 V470 L482L306-F328 HydrophobicContact CD2-CE1 4.22Å; Y324-F328 AromaticContact CD1-CE2 3.6Å; Y324-F328 HydrophobicContact CD1-CE2 3.6Å; Y324-F328 AromaticContact CD1-CZ 3.91Å; Y324-F328 HydrophobicContact CD1-CZ 3.91Å; Y324-F328 AromaticContact CE1-CE2 3.49Å; Y324-F328 HydrophobicContact CE1-CE2 3.49Å; Y324-F328 VanDerWaalsContact CE1-CE2 3.49Å; Y324-F328 AromaticContact CE1-CZ 3.59Å; Y324-F328 HydrophobicContact CE1-CZ 3.59Å; F328-K452 CarbonylContact O-C 3.5Å; F328-K452 WeakPolarHBondContact O-CA 3.31Å; F328-Y453 PolarHBondContact N-O 3.37Å; F328-Y453 PolarHBondContact O-N 2.93Å; F328-L455 HydrophobicContact CD2-CB 4.29Å; F328-L455 HydrophobicContact CD2-CD1 4.48Å; F328-L455 HydrophobicContact CE2-CB 3.83Å; F328-L455 HydrophobicContact CE2-CD1 4.02Å; F328-L455 HydrophobicContact CE2-CG 4.36Å; F328-L455 HydrophobicContact CZ-CD1 4.15Å; F328-L458 HydrophobicContact CB-CD1 3.77Å; F328-L458 HydrophobicContact CD2-CD1 4.41Å; F328-L458 HydrophobicContact CG-CD1 4.08Å; F328-V468 HydrophobicContact CB-CB 4.45Å; F328-V468 HydrophobicContact CD1-CB 4.02Å; F328-V468 HydrophobicContact CD1-CG2 3.65Å; F328-V468 HydrophobicContact CE1-CG2 4.14Å; F328-K469 CarbonylContact C-O 3.56Å; F328-K469 WeakPolarHBondContact CA-O 3.44Å; F328-V470 HydrophobicContact CD1-CG2 3.85Å; F328-V470 HydrophobicContact CE1-CG2 3.4Å; F328-V470 VanDerWaalsContact CE1-CG2 3.4Å; F328-V470 HydrophobicContact CZ-CG2 3.91Å; F328-L482 HydrophobicContact CZ-CD1 4.32Å
329R93.8Very high92.5Very high73 Ų7339.6 Ų39.628%0.27519%0.188SC..EExtended strand (participates in β ladder)trans-127.8136.8167.6178.9175.8-76179.6-15.6107.8N450 V468 K469 V471R329-N450 WeakPolarHBondContact CD-OD1 3.14Å; R329-N450 PolarHBondContact NE-O 3.18Å; R329-N450 PolarHBondContact NE-OD1 2.8Å; R329-N450 PolarHBondContact NH1-OD1 3.17Å; R329-N450 PolarHBondContact NH2-O 3.41Å; R329-N450 PolarHBondContact NH2-OD1 3.31Å; R329-V468 CarbonylContact O-C 3.55Å; R329-V468 VanDerWaalsContact O-CA 3.29Å; R329-V468 WeakPolarHBondContact O-CA 3.42Å; R329-K469 PolarHBondContact N-O 2.83Å; R329-K469 PolarHBondContact O-N 3.38Å; R329-V471 HydrophobicContact CB-CG1 3.7Å; R329-V471 HydrophobicContact CB-CG2 4.44Å
330R92.6Very high92.3Very high32 Ų3243 Ų4312%0.12120%0.204CC..EExtended strand (participates in β ladder)trans-61.2144.5175.3-69.9177.763.5-1632.7110.2E445 L447 E449 Y453 L458R330-E445 IonicContact NH2-OE1 2.81Å; R330-E445 PolarHBondContact NH2-OE1 3.32Å; R330-L447 HydrophobicContact CB-CD1 3.78Å; R330-E449 IonicContact CZ-OE1 3.93Å; R330-E449 IonicContact NH1-OE1 2.99Å; R330-E449 PolarHBondContact NH1-OE1 3.1Å; R330-Y453 HydrophobicContact CG-CE2 4.42Å; R330-L458 HydrophobicContact CG-CD2 4.38Å
331R92.5Very high92.2Very high95 Ų9543.2 Ų43.236%0.35821%0.205SC..  trans-115.9141.6171.5-69.5-59.6-135.6165.512.3107.9R333 D467 K469 P486R331-R333 PolarHBondContact O-N 3.33Å; R331-D467 HydrophobicContact CB-CB 4.04Å; R331-D467 PolarHBondContact N-O 2.87Å; R331-K469 HydrophobicContact CG-CB 3.93Å; R331-P486 PolarHBondContact NE-O 3.04Å; R331-P486 PolarHBondContact NH2-O 3.29Å
332P91.6Very high92.1Very high53 Ų5346.4 Ų46.434%0.34422%0.217SC..PPolyproline II helixtrans-50.6129.6169.1-31.940.4000111V444 E445 L447P332-V444 HydrophobicContact CB-CG1 3.46Å; P332-V444 VanDerWaalsContact CB-CG1 3.46Å; P332-V444 HydrophobicContact CG-CG1 4.41Å; P332-E445 VanDerWaalsContact CB-O 3.24Å; P332-E445 WeakPolarHBondContact CB-O 3.49Å; P332-L447 HydrophobicContact CG-CD1 4.09Å; P332-L447 HydrophobicContact CG-CG 4.28Å
333R91.3Very high92Very high9 Ų945.2 Ų45.23%0.03421%0.213CC..PPolyproline II helixtrans-73.5140.8168.2-68.5176.9-71.4178.70.1109.4R331 F335 T348 V444 E445 D467R331-R333 PolarHBondContact O-N 3.33Å; R333-F335 HydrophobicContact CB-CE1 4Å; R333-F335 HydrophobicContact CB-CE2 3.95Å; R333-F335 HydrophobicContact CB-CZ 3.52Å; R333-F335 HydrophobicContact CG-CZ 4.45Å; R333-T348 PolarHBondContact NH2-OG1 3.01Å; R333-T348 VanDerWaalsContact NH2-OG1 3.09Å; R333-V444 WeakPolarHBondContact O-CA 3.3Å; R333-E445 HydrophobicContact CB-CB 4.28Å; R333-E445 WeakPolarHBondContact CG-OE2 3.42Å; R333-E445 IonicContact CZ-OE1 3.85Å; R333-E445 IonicContact CZ-OE2 3.76Å; R333-E445 PolarHBondContact N-OE2 3.42Å; R333-E445 IonicContact NE-OE1 3.91Å; R333-E445 IonicContact NE-OE2 3.87Å; R333-E445 PolarHBondContact NE-OE2 3.18Å; R333-E445 IonicContact NH2-OE1 3.71Å; R333-E445 PolarHBondContact NH2-OE1 2.74Å; R333-E445 IonicContact NH2-OE2 2.94Å; R333-E445 PolarHBondContact O-N 3.45Å; R333-D467 HydrophobicContact CG-CB 4.16Å
334E91.1Very high92Very high128 Ų12839.2 Ų39.260%0.59819%0.186SC*.EExtended strand (participates in β ladder)trans-101.9132.7173-61.9179.4-175.800109.3V444E334-V444 HydrophobicContact CG-CG2 4.24Å
335F91.8Very high91.8Very high14 Ų1440.2 Ų40.26%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-123.2131.9179.7-49.5-75.4000109.8R333 E340 V341 A344 V353 H442 F443 E445R333-F335 HydrophobicContact CB-CE1 4Å; R333-F335 HydrophobicContact CB-CE2 3.95Å; R333-F335 HydrophobicContact CB-CZ 3.52Å; R333-F335 HydrophobicContact CG-CZ 4.45Å; F335-E340 WeakPolarHBondContact CA-OE2 3.49Å; F335-E340 HydrophobicContact CB-CB 4.09Å; F335-E340 HydrophobicContact CD1-CB 4Å; F335-V341 HydrophobicContact CB-CG2 3.63Å; F335-V341 HydrophobicContact CD2-CG2 3.86Å; F335-V341 HydrophobicContact CG-CG2 3.78Å; F335-A344 HydrophobicContact CD1-CB 4.49Å; F335-A344 HydrophobicContact CE1-CB 3.5Å; F335-A344 VanDerWaalsContact CE1-CB 3.5Å; F335-A344 HydrophobicContact CZ-CB 3.66Å; F335-V353 HydrophobicContact CD2-CG1 4.25Å; F335-V353 HydrophobicContact CE2-CG1 4.09Å; F335-H442 WeakPolarHBondContact O-CA 3.06Å; F335-F443 HydrophobicContact CB-CB 4.28Å; F335-F443 HydrophobicContact CD2-CB 4.33Å; F335-F443 PolarHBondContact N-O 2.78Å; F335-F443 PolarHBondContact O-N 3.03Å; F335-E445 HydrophobicContact CE2-CB 4.18Å
336N90.6Very high91.5Very high76 Ų7642.7 Ų42.741%0.40620%0.203SC..EExtended strand (participates in β ladder)trans-99.3-1.5-178.6-61.1-66.1000113.5E340 Q440 G441 H442N336-E340 PolarHBondContact N-OE2 3.31Å; N336-Q440 PolarHBondContact O-OE1 3.42Å; N336-G441 CarbonylContact C-O 3.54Å; N336-G441 WeakPolarHBondContact CA-O 3.43Å; N336-G441 PolarHBondContact O-N 3.45Å; N336-H442 PolarHBondContact OD1-CE1 2.87Å; N336-H442 VanDerWaalsContact OD1-CE1 3.28Å; N336-H442 PolarHBondContact OD1-ND1 3.41Å; N336-H442 VanDerWaalsContact OD1-ND1 3.1Å
337S92.3Very high90.9Very high10 Ų1045.6 Ų45.67%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-152.8160.1175.764.10000111.1Y339 E340 V341S337-Y339 PolarHBondContact O-N 3Å; S337-E340 PolarHBondContact O-N 3.19Å; S337-E340 WeakPolarHBondContact OG-CG 3.49Å; S337-E340 PolarHBondContact OG-N 3.35Å; S337-V341 PolarHBondContact O-N 3.41Å
338V92.5Very high90.2Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-64.1-34.7174.2178.60000110.7E340 V341 Y342 L401 L435 P436 L437 M439 F443V338-E340 VanDerWaalsContact C-N 3.34Å; V338-E340 PolarHBondContact O-N 2.75Å; V338-V341 WeakPolarHBondContact O-CB 3.15Å; V338-V341 PolarHBondContact O-N 2.81Å; V338-Y342 PolarHBondContact O-N 3.47Å; V338-L401 HydrophobicContact CG1-CB 4.15Å; V338-L401 HydrophobicContact CG1-CD1 3.66Å; V338-L401 HydrophobicContact CG1-CG 4Å; V338-L435 HydrophobicContact CB-CB 4.4Å; V338-L435 HydrophobicContact CG1-CB 3.54Å; V338-L435 HydrophobicContact CG1-CD1 4.4Å; V338-L435 WeakPolarHBondContact CG1-O 3.47Å; V338-L435 HydrophobicContact CG2-CB 3.92Å; V338-L435 HydrophobicContact CG2-CD1 4.31Å; V338-P436 WeakPolarHBondContact CB-O 2.94Å; V338-L437 HydrophobicContact CG1-CD2 4.18Å; V338-M439 HydrophobicContact CB-CB 4.33Å; V338-M439 HydrophobicContact CG2-CB 3.69Å; V338-M439 HydrophobicContact CG2-CG 3.9Å; V338-M439 HydrophobicContact CG2-SD 3.88Å; V338-M439 PolarHBondContact N-O 3Å; V338-F443 HydrophobicContact CG2-CE2 3.76Å; V338-F443 HydrophobicContact CG2-CZ 3.86Å
339Y91.6Very high89.2Confident33 Ų3351.5 Ų51.513%0.12925%0.249CC..Hα-helixtrans-57.5-42.9172.2178.5-93000112.8S337 V341 Y342 V343 L437 A564 P566 P567S337-Y339 PolarHBondContact O-N 3Å; Y339-V341 VanDerWaalsContact C-N 3.32Å; Y339-V341 PolarHBondContact O-N 2.85Å; Y339-Y342 HydrophobicContact CD2-CD1 4.43Å; Y339-Y342 HydrophobicContact CE2-CD1 4.42Å; Y339-Y342 WeakPolarHBondContact O-CB 3.35Å; Y339-Y342 PolarHBondContact O-N 3.29Å; Y339-V343 HydrophobicContact CD1-CG2 4.17Å; Y339-V343 HydrophobicContact CE1-CG2 3.55Å; Y339-V343 HydrophobicContact CE2-CG2 4.24Å; Y339-V343 WeakPolarHBondContact O-CG2 3.12Å; Y339-V343 PolarHBondContact O-N 3.06Å; Y339-L437 VanDerWaalsContact CB-O 3.3Å; Y339-L437 WeakPolarHBondContact CB-O 3.46Å; Y339-L437 PolarHBondContact N-O 3.04Å; Y339-A564 VanDerWaalsContact CZ-O 3.32Å; Y339-A564 PolarHBondContact OH-O 3.26Å; Y339-P566 HydrophobicContact CD1-CB 3.74Å; Y339-P566 HydrophobicContact CD2-CB 4.29Å; Y339-P566 HydrophobicContact CE1-CB 4.15Å; Y339-P566 HydrophobicContact CG-CB 3.83Å; Y339-P567 HydrophobicContact CD2-CG 4.4Å
340E91.1Very high88.6Confident77 Ų7752.4 Ų52.436%0.3627%0.267SS..Hα-helixtrans-64.5-37.3176.3-73.4176.9-169.500112.2F335 N336 S337 V338 Y342 V343 A344F335-E340 WeakPolarHBondContact CA-OE2 3.49Å; F335-E340 HydrophobicContact CB-CB 4.09Å; F335-E340 HydrophobicContact CD1-CB 4Å; N336-E340 PolarHBondContact N-OE2 3.31Å; S337-E340 PolarHBondContact O-N 3.19Å; S337-E340 WeakPolarHBondContact OG-CG 3.49Å; S337-E340 PolarHBondContact OG-N 3.35Å; V338-E340 VanDerWaalsContact C-N 3.34Å; V338-E340 PolarHBondContact O-N 2.75Å; E340-Y342 VanDerWaalsContact C-N 3.33Å; E340-V343 PolarHBondContact O-N 3.16Å; E340-A344 WeakPolarHBondContact O-CB 2.85Å; E340-A344 PolarHBondContact O-N 3.12Å
341V92Very high88.4Confident4 Ų451.1 Ų51.12%0.02426%0.262CS..Hα-helixtrans-63.7-41.1173.8178.90000110.6F335 S337 V338 Y339 A344 S345 L351 V353 I378 L401 F443F335-V341 HydrophobicContact CB-CG2 3.63Å; F335-V341 HydrophobicContact CD2-CG2 3.86Å; F335-V341 HydrophobicContact CG-CG2 3.78Å; S337-V341 PolarHBondContact O-N 3.41Å; V338-V341 WeakPolarHBondContact O-CB 3.15Å; V338-V341 PolarHBondContact O-N 2.81Å; Y339-V341 VanDerWaalsContact C-N 3.32Å; Y339-V341 PolarHBondContact O-N 2.85Å; V341-A344 PolarHBondContact O-N 2.87Å; V341-S345 WeakPolarHBondContact O-CB 3.49Å; V341-S345 PolarHBondContact O-N 2.92Å; V341-L351 HydrophobicContact CG1-CD2 4.1Å; V341-V353 HydrophobicContact CG1-CG1 4.15Å; V341-I378 HydrophobicContact CG1-CD1 3.81Å; V341-I378 HydrophobicContact CG1-CG1 3.76Å; V341-L401 HydrophobicContact CB-CD1 4.05Å; V341-L401 HydrophobicContact CG1-CD1 3.89Å; V341-F443 HydrophobicContact CG2-CB 3.95Å; V341-F443 HydrophobicContact CG2-CD2 3.83Å; V341-F443 HydrophobicContact CG2-CG 4Å
342Y90.9Very high88.5Confident71 Ų7147.9 Ų47.928%0.27825%0.253SS..Hα-helixtrans-62.1-50.3176.5164.4-109.6000111.6V338 Y339 E340 A344 S345 T346 C381 L401 L437V338-Y342 PolarHBondContact O-N 3.47Å; Y339-Y342 HydrophobicContact CD2-CD1 4.43Å; Y339-Y342 HydrophobicContact CE2-CD1 4.42Å; Y339-Y342 WeakPolarHBondContact O-CB 3.35Å; Y339-Y342 PolarHBondContact O-N 3.29Å; E340-Y342 VanDerWaalsContact C-N 3.33Å; Y342-A344 PolarHBondContact O-N 3.43Å; Y342-S345 PolarHBondContact O-N 2.96Å; Y342-S345 PolarHBondContact O-OG 2.82Å; Y342-T346 HydrophobicContact CD2-CG2 4.19Å; Y342-T346 HydrophobicContact CE1-CG2 4.37Å; Y342-T346 HydrophobicContact CE2-CG2 3.76Å; Y342-T346 VanDerWaalsContact O-CG2 3.3Å; Y342-T346 WeakPolarHBondContact O-CG2 3.48Å; Y342-T346 PolarHBondContact O-N 3.48Å; Y342-C381 HydrophobicContact CD2-CB 3.78Å; Y342-C381 HydrophobicContact CE2-CB 3.41Å; Y342-C381 VanDerWaalsContact CE2-CB 3.41Å; Y342-L401 HydrophobicContact CD2-CD2 3.71Å; Y342-L401 HydrophobicContact CG-CD2 4.22Å; Y342-L437 HydrophobicContact CD1-CD1 4.22Å; Y342-L437 HydrophobicContact CD1-CD2 4.39Å; Y342-L437 HydrophobicContact CG-CD1 4.44Å; Y342-L437 HydrophobicContact CG-CD2 3.93Å
343V88.6Confident88.6Confident25 Ų2545.4 Ų45.415%0.15224%0.237CC..Hα-helixtrans-56.3-43.2177.21740000110.2Y339 E340 S345 T346Y339-V343 HydrophobicContact CD1-CG2 4.17Å; Y339-V343 HydrophobicContact CE1-CG2 3.55Å; Y339-V343 HydrophobicContact CE2-CG2 4.24Å; Y339-V343 WeakPolarHBondContact O-CG2 3.12Å; Y339-V343 PolarHBondContact O-N 3.06Å; E340-V343 PolarHBondContact O-N 3.16Å; V343-S345 PolarHBondContact O-N 2.95Å; V343-T346 PolarHBondContact O-N 2.91Å; V343-T346 PolarHBondContact O-OG1 2.77Å
344A88.8Confident88.7Confident5 Ų546.3 Ų46.34%0.04124%0.244CC..Hα-helixtrans-66.7-34.8177.300000113.9F335 E340 V341 Y342 Q347 T348 L351F335-A344 HydrophobicContact CD1-CB 4.49Å; F335-A344 HydrophobicContact CE1-CB 3.5Å; F335-A344 VanDerWaalsContact CE1-CB 3.5Å; F335-A344 HydrophobicContact CZ-CB 3.66Å; E340-A344 WeakPolarHBondContact O-CB 2.85Å; E340-A344 PolarHBondContact O-N 3.12Å; V341-A344 PolarHBondContact O-N 2.87Å; Y342-A344 PolarHBondContact O-N 3.43Å; A344-Q347 PolarHBondContact O-N 2.88Å; A344-T348 WeakPolarHBondContact O-CB 3.44Å; A344-T348 PolarHBondContact O-N 2.87Å; A344-T348 PolarHBondContact O-OG1 2.7Å; A344-L351 HydrophobicContact CB-CD2 3.9Å
345S89.5Confident88.8Confident26 Ų2640.4 Ų40.418%0.18222%0.217CC..Hα-helixtrans-72.5-30.7178.8740000112.3V341 Y342 V343 Q347 T348V341-S345 WeakPolarHBondContact O-CB 3.49Å; V341-S345 PolarHBondContact O-N 2.92Å; Y342-S345 PolarHBondContact O-N 2.96Å; Y342-S345 PolarHBondContact O-OG 2.82Å; V343-S345 PolarHBondContact O-N 2.95Å; S345-Q347 PolarHBondContact O-N 3.38Å; S345-T348 PolarHBondContact O-N 2.74Å; S345-T348 VanDerWaalsContact O-O 3.05Å
346T85.6Confident88.7Confident85 Ų8542.8 Ų42.852%0.52123%0.233SC..Hα-helixtrans-61-25.4172.570.80000112.7Y342 V343Y342-T346 HydrophobicContact CD2-CG2 4.19Å; Y342-T346 HydrophobicContact CE1-CG2 4.37Å; Y342-T346 HydrophobicContact CE2-CG2 3.76Å; Y342-T346 VanDerWaalsContact O-CG2 3.3Å; Y342-T346 WeakPolarHBondContact O-CG2 3.48Å; Y342-T346 PolarHBondContact O-N 3.48Å; V343-T346 PolarHBondContact O-N 2.91Å; V343-T346 PolarHBondContact O-OG1 2.77Å
347Q81.4Confident88.6Confident60 Ų6047 Ų4728%0.2824%0.243SC..Hα-helixtrans-99.2-21.8-178.7-62.1172.31.900112.5A344 S345 S463 L464A344-Q347 PolarHBondContact O-N 2.88Å; S345-Q347 PolarHBondContact O-N 3.38Å; Q347-S463 WeakPolarHBondContact O-CB 3.18Å; Q347-S463 PolarHBondContact O-OG 3.23Å; Q347-L464 PolarHBondContact OE1-O 2.91Å
348T80.8Confident88.4Confident26 Ų2651.8 Ų51.816%0.1627%0.268CS..SBendtrans-123.9111.6-171.9-39.60000110R333 A344 S345 S350R333-T348 PolarHBondContact NH2-OG1 3.01Å; R333-T348 VanDerWaalsContact NH2-OG1 3.09Å; A344-T348 WeakPolarHBondContact O-CB 3.44Å; A344-T348 PolarHBondContact O-N 2.87Å; A344-T348 PolarHBondContact O-OG1 2.7Å; S345-T348 PolarHBondContact O-N 2.74Å; S345-T348 VanDerWaalsContact O-O 3.05Å; T348-S350 PolarHBondContact O-N 2.82Å
349H72.6Confident88Confident180 Ų18053.5 Ų53.583%0.83328%0.279SS*.THydrogen-bonded Turntrans-66.5131.6176.4-67.571000109.8
350S80.8Confident87.8Confident92 Ų9260 Ų6064%0.64331%0.311SS*.THydrogen-bonded Turntrans60.545.9179.1-53.20000114.7T348 T352T348-S350 PolarHBondContact O-N 2.82Å; S350-T352 PolarHBondContact O-N 2.85Å
351L90.1Very high87.5Confident4 Ų462.7 Ų62.72%0.02132%0.323CS..  trans-60.8132.6172.7-175.164.7000110.3V341 A344 V353 I378 E445V341-L351 HydrophobicContact CG1-CD2 4.1Å; A344-L351 HydrophobicContact CB-CD2 3.9Å; L351-V353 HydrophobicContact CD2-CG1 4.33Å; L351-V353 HydrophobicContact CG-CG1 4.19Å; L351-I378 HydrophobicContact CB-CB 4.48Å; L351-I378 HydrophobicContact CB-CD1 4.03Å; L351-I378 HydrophobicContact CD2-CD1 4.15Å; L351-I378 HydrophobicContact CG-CD1 3.92Å; L351-I378 WeakPolarHBondContact O-CD1 3.49Å; L351-I378 PolarHBondContact O-N 3.26Å; L351-E445 HydrophobicContact CD1-CG 3.8Å
352T92.9Very high87.2Confident28 Ų2864.9 Ų64.917%0.17234%0.337CS..EExtended strand (participates in β ladder)trans-121.7133.5172.5-56.10000108.6S350 L376 L406 V446S350-T352 PolarHBondContact O-N 2.85Å; T352-L376 CarbonylContact C-O 3.6Å; T352-L376 WeakPolarHBondContact CA-O 3.42Å; T352-L406 HydrophobicContact CG2-CD1 3.82Å; T352-V446 HydrophobicContact CG2-CB 4.11Å; T352-V446 HydrophobicContact CG2-CG2 4.19Å; T352-V446 PolarHBondContact O-N 3.28Å
353V93.8Very high86.6Confident1 Ų168.4 Ų68.41%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-126151.5179.9-60.50000110.9F335 V341 L351 R375 L376 I378 F443 V444F335-V353 HydrophobicContact CD2-CG1 4.25Å; F335-V353 HydrophobicContact CE2-CG1 4.09Å; V341-V353 HydrophobicContact CG1-CG1 4.15Å; L351-V353 HydrophobicContact CD2-CG1 4.33Å; L351-V353 HydrophobicContact CG-CG1 4.19Å; V353-R375 CarbonylContact O-C 3.58Å; V353-R375 WeakPolarHBondContact O-CA 3.34Å; V353-L376 HydrophobicContact CG2-CB 4.04Å; V353-L376 PolarHBondContact N-O 3.2Å; V353-L376 PolarHBondContact O-N 3Å; V353-I378 HydrophobicContact CB-CD1 4.48Å; V353-I378 HydrophobicContact CG1-CD1 3.97Å; V353-I378 HydrophobicContact CG2-CD1 3.94Å; V353-F443 HydrophobicContact CB-CB 4.08Å; V353-F443 HydrophobicContact CG1-CB 4.49Å; V353-F443 HydrophobicContact CG2-CB 4.19Å; V353-F443 HydrophobicContact CG2-CD1 3.99Å; V353-F443 HydrophobicContact CG2-CG 4.41Å; V353-V444 CarbonylContact C-O 3.58Å; V353-V444 VanDerWaalsContact CA-O 3.31Å; V353-V444 WeakPolarHBondContact CA-O 3.47Å
354S93.9Very high85.9Confident27 Ų2775 Ų7519%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-110138171.5-1800000110.1E374 F443 V444S354-E374 CarbonylContact C-O 3.56Å; S354-E374 VanDerWaalsContact CA-O 3.27Å; S354-E374 WeakPolarHBondContact CA-O 3.38Å; S354-F443 WeakPolarHBondContact O-CA 3.41Å; S354-V444 PolarHBondContact N-O 2.75Å; S354-V444 PolarHBondContact O-N 2.75Å
355V92.6Very high85.3Confident4 Ų479.6 Ų79.62%0.02441%0.406CS..EExtended strand (participates in β ladder)trans-76.3126.3177.2179.70000109.2R357 L370 S371 V372 G373 E374 L376 F443V355-R357 WeakPolarHBondContact CG1-O 3.26Å; V355-L370 HydrophobicContact CG1-CB 4.08Å; V355-L370 HydrophobicContact CG2-CB 4.27Å; V355-L370 HydrophobicContact CG2-CD1 4.2Å; V355-S371 WeakPolarHBondContact CB-O 3.19Å; V355-S371 WeakPolarHBondContact CG1-O 3.35Å; V355-V372 WeakPolarHBondContact O-CA 3.43Å; V355-G373 PolarHBondContact O-N 3.44Å; V355-E374 HydrophobicContact CB-CB 4.4Å; V355-E374 HydrophobicContact CG2-CB 4.16Å; V355-E374 PolarHBondContact N-O 2.95Å; V355-L376 HydrophobicContact CG2-CD1 3.97Å; V355-L376 HydrophobicContact CG2-CG 4.37Å; V355-F443 HydrophobicContact CG2-CD1 4.19Å; V355-F443 HydrophobicContact CG2-CE1 4.07Å
356T89.8Confident84.8Confident65 Ų6578.8 Ų78.840%0.39940%0.401SS..  trans-110.9-2.9-178.858.70000113.9H442 V444T356-H442 PolarHBondContact N-O 3.33Å; T356-H442 WeakPolarHBondContact OG1-CB 3.33Å; T356-H442 PolarHBondContact OG1-O 2.86Å; T356-V444 HydrophobicContact CG2-CB 4.04Å; T356-V444 HydrophobicContact CG2-CG2 3.49Å; T356-V444 VanDerWaalsContact CG2-CG2 3.49Å
357R88.8Confident84.8Confident164 Ų16475.8 Ų75.862%0.61938%0.382SS*.SBendtrans-141.7134.1174.5-173179.8178.5-179.2-5.1110.1V355 H442V355-R357 WeakPolarHBondContact CG1-O 3.26Å; R357-H442 HydrophobicContact CB-CB 4.2Å
358N88.2Confident85.1Confident110 Ų11073.8 Ų73.859%0.58837%0.374SS*.  trans-60.1138.3174.7-66.4-23.4000110.6L370 S371 V372N358-L370 CarbonylContact C-O 3.58Å; N358-L370 VanDerWaalsContact CA-O 3.26Å; N358-L370 WeakPolarHBondContact CA-O 3.34Å; N358-S371 WeakPolarHBondContact OD1-CA 3.42Å; N358-V372 WeakPolarHBondContact OD1-CG2 3.41Å; N358-V372 PolarHBondContact OD1-N 2.97Å
359C85.2Confident85.4Confident36 Ų3673.5 Ų73.524%0.24338%0.376CS..BIsolated β-bridgetrans-120.3127.2169.2-166.40000108.8G369 L370 M439C359-G369 WeakPolarHBondContact O-CA 3.44Å; C359-L370 HydrophobicContact CB-CB 4.11Å; C359-L370 PolarHBondContact N-O 2.85Å; C359-L370 PolarHBondContact O-N 3.44Å; C359-M439 HydrophobicContact CB-CE 3.93Å; C359-M439 WeakPolarHBondContact SG-CE 3.28Å
360E85.5Confident86.2Confident169 Ų16965.1 Ų65.179%0.7934%0.338SS*.  trans-75.1143.9173-66.6178-176.600109.5
361E86.6Confident86.6Confident134 Ų13463.7 Ų63.763%0.62633%0.327SS*.  trans-72.2130.1175.3-172.9170.9-166.600110L367E361-L367 WeakPolarHBondContact CA-O 3.26Å; E361-L367 WeakPolarHBondContact CG-O 3.23Å
362V84.4Confident86.6Confident50 Ų5067.6 Ų67.630%0.30335%0.351SS..BIsolated β-bridgetrans-130.391.4177.4-172.70000107.9E364 E365 G366 L367V362-E364 VanDerWaalsContact C-N 3.27Å; V362-E364 PolarHBondContact O-N 2.96Å; V362-E365 HydrophobicContact CB-CB 4.38Å; V362-E365 HydrophobicContact CG1-CB 4.02Å; V362-E365 HydrophobicContact CG1-CG 3.99Å; V362-E365 CarbonylContact O-C 3.44Å; V362-E365 PolarHBondContact O-N 3.41Å; V362-E365 VanDerWaalsContact O-N 3.12Å; V362-G366 PolarHBondContact O-N 3.41Å; V362-L367 HydrophobicContact CB-CB 4.15Å; V362-L367 HydrophobicContact CB-CD1 4.26Å; V362-L367 HydrophobicContact CB-CG 4.48Å; V362-L367 HydrophobicContact CG2-CD1 4.32Å; V362-L367 PolarHBondContact N-O 3.04Å; V362-L367 PolarHBondContact O-N 3.25Å
363E78.2Confident86.3Confident146 Ų14667.9 Ų67.968%0.68236%0.36SS*.G310 helixtrans-55.6-40.8-176.8-66.8-176.9178.400112.2E365 G366 P387E363-E365 PolarHBondContact O-N 3.4Å; E363-G366 PolarHBondContact O-N 3.15Å; E363-P387 WeakPolarHBondContact O-CG 3.29Å
364E74.9Confident86.2Confident162 Ų16270.2 Ų70.276%0.75737%0.371SS*.G310 helixtrans-59.8-33.5-179.7-64.4-176.5178.100113V362V362-E364 VanDerWaalsContact C-N 3.27Å; V362-E364 PolarHBondContact O-N 2.96Å
365E75.4Confident86.1Confident103 Ų10374 Ų7448%0.48138%0.381SS..G310 helixtrans-98.61178.2-63.6-173-175.500112.1V362 E363 L367 Y438V362-E365 HydrophobicContact CB-CB 4.38Å; V362-E365 HydrophobicContact CG1-CB 4.02Å; V362-E365 HydrophobicContact CG1-CG 3.99Å; V362-E365 CarbonylContact O-C 3.44Å; V362-E365 PolarHBondContact O-N 3.41Å; V362-E365 VanDerWaalsContact O-N 3.12Å; E363-E365 PolarHBondContact O-N 3.4Å; E365-L367 HydrophobicContact CB-CD1 4.16Å; E365-L367 HydrophobicContact CB-CG 3.89Å; E365-L367 PolarHBondContact O-N 3.46Å; E365-L367 WeakPolarHBondContact OE2-CD1 3.31Å; E365-Y438 PolarHBondContact O-OH 3.29Å
366G78.6Confident86.1Confident8 Ų873.8 Ų73.88%0.08238%0.379CS..THydrogen-bonded Turntrans61.527.5-176.200000113.8V362 E363 P436V362-G366 PolarHBondContact O-N 3.41Å; E363-G366 PolarHBondContact O-N 3.15Å; G366-P436 VanDerWaalsContact O-CG 3.28Å; G366-P436 WeakPolarHBondContact O-CG 3.34Å
367L85.8Confident86.2Confident23 Ų2373.1 Ų73.112%0.1237%0.372CS..BIsolated β-bridgetrans-89.1122.6178.5-60.6-179.9000110.1E361 V362 E365 P436 Y438 M439E361-L367 WeakPolarHBondContact CA-O 3.26Å; E361-L367 WeakPolarHBondContact CG-O 3.23Å; V362-L367 HydrophobicContact CB-CB 4.15Å; V362-L367 HydrophobicContact CB-CD1 4.26Å; V362-L367 HydrophobicContact CB-CG 4.48Å; V362-L367 HydrophobicContact CG2-CD1 4.32Å; V362-L367 PolarHBondContact N-O 3.04Å; V362-L367 PolarHBondContact O-N 3.25Å; E365-L367 HydrophobicContact CB-CD1 4.16Å; E365-L367 HydrophobicContact CB-CG 3.89Å; E365-L367 PolarHBondContact O-N 3.46Å; E365-L367 WeakPolarHBondContact OE2-CD1 3.31Å; L367-P436 HydrophobicContact CD2-CG 4.25Å; L367-Y438 HydrophobicContact CD2-CE2 4.29Å; L367-M439 HydrophobicContact CD2-CB 3.93Å; L367-M439 HydrophobicContact CD2-CG 3.89Å; L367-M439 HydrophobicContact CD2-SD 4.24Å
368P87.4Confident86.4Confident17 Ų1765.9 Ų65.911%0.1135%0.346CS..PPolyproline II helixtrans-78.4152.5178.331.1-33.3000112.1V433 L434 L435P368-V433 HydrophobicContact CB-CG2 3.63Å; P368-V433 HydrophobicContact CG-CG2 3.73Å; P368-L434 WeakPolarHBondContact CG-O 3.36Å; P368-L435 HydrophobicContact CG-CD2 3.58Å
369G87.6Confident86.5Confident20 Ų2064 Ų6421%0.20634%0.337CS..PPolyproline II helixtrans-69129.4168.800000111.2C359 R405C359-G369 WeakPolarHBondContact O-CA 3.44Å; G369-R405 PolarHBondContact O-NH2 3.24Å
370L90.6Very high86.6Confident5 Ų567.5 Ų67.53%0.02635%0.354CS..BIsolated β-bridgetrans-133.2132.8177-62.7176.6000110.2V355 N358 C359 L376 L435 M439 F443V355-L370 HydrophobicContact CG1-CB 4.08Å; V355-L370 HydrophobicContact CG2-CB 4.27Å; V355-L370 HydrophobicContact CG2-CD1 4.2Å; N358-L370 CarbonylContact C-O 3.58Å; N358-L370 VanDerWaalsContact CA-O 3.26Å; N358-L370 WeakPolarHBondContact CA-O 3.34Å; C359-L370 HydrophobicContact CB-CB 4.11Å; C359-L370 PolarHBondContact N-O 2.85Å; C359-L370 PolarHBondContact O-N 3.44Å; L370-L376 HydrophobicContact CD1-CD1 4.48Å; L370-L376 HydrophobicContact CD2-CD1 4.1Å; L370-L435 HydrophobicContact CD1-CD2 3.92Å; L370-L435 HydrophobicContact CD2-CD2 4.38Å; L370-M439 HydrophobicContact CD1-CE 3.81Å; L370-F443 HydrophobicContact CD1-CE1 4.02Å; L370-F443 HydrophobicContact CD1-CZ 4.21Å
371S89.3Confident86.8Confident61 Ų6161.1 Ų61.143%0.42733%0.328SS..  trans-103.5149.5177.6-44.30000111.8V355 N358 G373 E374V355-S371 WeakPolarHBondContact CB-O 3.19Å; V355-S371 WeakPolarHBondContact CG1-O 3.35Å; N358-S371 WeakPolarHBondContact OD1-CA 3.42Å; S371-G373 PolarHBondContact O-N 3.02Å; S371-E374 WeakPolarHBondContact CA-OE1 3.39Å; S371-E374 WeakPolarHBondContact CB-OE1 3.49Å; S371-E374 PolarHBondContact N-OE1 3.3Å; S371-E374 WeakPolarHBondContact O-CB 3.33Å; S371-E374 WeakPolarHBondContact O-CG 3.36Å; S371-E374 PolarHBondContact O-N 3.28Å; S371-E374 PolarHBondContact OG-OE1 3.47Å
372V90.2Very high87Confident87 Ų8757.7 Ų57.753%0.52732%0.316SS..THydrogen-bonded Turntrans-57.2131.3172174.30000110V355 N358V355-V372 WeakPolarHBondContact O-CA 3.43Å; N358-V372 WeakPolarHBondContact OD1-CG2 3.41Å; N358-V372 PolarHBondContact OD1-N 2.97Å
373G86.2Confident87.2Confident34 Ų3462.1 Ų62.135%0.35133%0.327SS..THydrogen-bonded Turntrans100.7-22.9179.800000113.7V355 S371 R375V355-G373 PolarHBondContact O-N 3.44Å; S371-G373 PolarHBondContact O-N 3.02Å; G373-R375 PolarHBondContact O-N 3.25Å
374E90.3Very high87.6Confident50 Ų5056.9 Ų56.923%0.23430%0.303CS..  trans-56.3137177.6-73.1178.6-154.800111.4S354 V355 S371 R405S354-E374 CarbonylContact C-O 3.56Å; S354-E374 VanDerWaalsContact CA-O 3.27Å; S354-E374 WeakPolarHBondContact CA-O 3.38Å; V355-E374 HydrophobicContact CB-CB 4.4Å; V355-E374 HydrophobicContact CG2-CB 4.16Å; V355-E374 PolarHBondContact N-O 2.95Å; S371-E374 WeakPolarHBondContact CA-OE1 3.39Å; S371-E374 WeakPolarHBondContact CB-OE1 3.49Å; S371-E374 PolarHBondContact N-OE1 3.3Å; S371-E374 WeakPolarHBondContact O-CB 3.33Å; S371-E374 WeakPolarHBondContact O-CG 3.36Å; S371-E374 PolarHBondContact O-N 3.28Å; S371-E374 PolarHBondContact OG-OE1 3.47Å; E374-R405 IonicContact OE2-NE 2.81Å
375R92.5Very high88Confident105 Ų10554.8 Ų54.840%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-109.5127.6179.3-63.8-177.7-161.9176.713.8110.1V353 G373 L406 E408V353-R375 CarbonylContact O-C 3.58Å; V353-R375 WeakPolarHBondContact O-CA 3.34Å; G373-R375 PolarHBondContact O-N 3.25Å; R375-L406 HydrophobicContact CB-CB 4.07Å; R375-L406 HydrophobicContact CB-CD1 4.26Å; R375-L406 PolarHBondContact O-N 3.26Å; R375-E408 IonicContact CZ-OE1 3.65Å; R375-E408 IonicContact NE-OE1 2.72Å; R375-E408 IonicContact NH2-OE1 2.95Å; R375-E408 PolarHBondContact NH2-OE1 2.99Å
376L92.8Very high88.3Confident0 Ų050.4 Ų50.40%027%0.273CS..EExtended strand (participates in β ladder)trans-119.4120-175.9-55.4-179.7000109.2T352 V353 V355 L370 C403 H404 R405 V433 L435 F443T352-L376 CarbonylContact C-O 3.6Å; T352-L376 WeakPolarHBondContact CA-O 3.42Å; V353-L376 HydrophobicContact CG2-CB 4.04Å; V353-L376 PolarHBondContact N-O 3.2Å; V353-L376 PolarHBondContact O-N 3Å; V355-L376 HydrophobicContact CG2-CD1 3.97Å; V355-L376 HydrophobicContact CG2-CG 4.37Å; L370-L376 HydrophobicContact CD1-CD1 4.48Å; L370-L376 HydrophobicContact CD2-CD1 4.1Å; L376-C403 HydrophobicContact CB-CB 4.11Å; L376-H404 WeakPolarHBondContact CA-O 3.31Å; L376-R405 HydrophobicContact CD2-CB 4.43Å; L376-R405 HydrophobicContact CD2-CG 3.58Å; L376-V433 HydrophobicContact CD2-CG1 3.9Å; L376-L435 HydrophobicContact CD1-CD1 3.94Å; L376-F443 HydrophobicContact CD1-CE1 4.27Å
377Q92.9Very high87.8Confident51 Ų5154.4 Ų54.424%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-90.7121.7170.6-177.4177.240.100109.1C403 H404 L406Q377-C403 CarbonylContact O-C 3.5Å; Q377-C403 WeakPolarHBondContact O-CA 3.42Å; Q377-H404 HydrophobicContact CB-CB 4.42Å; Q377-H404 PolarHBondContact N-O 3.2Å; Q377-H404 PolarHBondContact O-N 2.67Å; Q377-L406 HydrophobicContact CB-CD1 4.3Å; Q377-L406 HydrophobicContact CB-CD2 4.26Å; Q377-L406 HydrophobicContact CB-CG 4.33Å
378I92.9Very high86.7Confident13 Ų1356.6 Ų56.67%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-76.6128.9-179.3-63.577.4000108.9V341 L351 V353 L401V341-I378 HydrophobicContact CG1-CD1 3.81Å; V341-I378 HydrophobicContact CG1-CG1 3.76Å; L351-I378 HydrophobicContact CB-CB 4.48Å; L351-I378 HydrophobicContact CB-CD1 4.03Å; L351-I378 HydrophobicContact CD2-CD1 4.15Å; L351-I378 HydrophobicContact CG-CD1 3.92Å; L351-I378 WeakPolarHBondContact O-CD1 3.49Å; L351-I378 PolarHBondContact O-N 3.26Å; V353-I378 HydrophobicContact CB-CD1 4.48Å; V353-I378 HydrophobicContact CG1-CD1 3.97Å; V353-I378 HydrophobicContact CG2-CD1 3.94Å; I378-L401 HydrophobicContact CG2-CD2 4.09Å
379V89.2Confident85.4Confident69 Ų6962.1 Ų62.142%0.41834%0.339SS..EExtended strand (participates in β ladder)trans-104-64.9-177.4-175.10000110.4L402 H404V379-L402 HydrophobicContact CB-CB 4.46Å; V379-L402 HydrophobicContact CB-CD2 4.25Å; V379-L402 HydrophobicContact CB-CG 4.16Å; V379-L402 WeakPolarHBondContact CB-O 3.5Å; V379-L402 HydrophobicContact CG1-CD2 4.15Å; V379-L402 PolarHBondContact N-O 3.46Å; V379-H404 VanDerWaalsContact CG2-CE1 3.48Å; V379-H404 WeakPolarHBondContact CG2-CE1 3.19Å
380D87.8Confident84.1Confident110 Ų11065.3 Ų65.359%0.58835%0.352SS*.EExtended strand (participates in β ladder)trans-157.9170.7-177.4-157.51000111.7L402D380-L402 PolarHBondContact N-O 2.79Å; D380-L402 PolarHBondContact O-N 2.85Å
381C89.8Confident82.4Confident35 Ų3573.2 Ų73.224%0.23639%0.394CS..EExtended strand (participates in β ladder)trans-100.9121.2170.4-173.40000110.2Y342 L401Y342-C381 HydrophobicContact CD2-CB 3.78Å; Y342-C381 HydrophobicContact CE2-CB 3.41Å; Y342-C381 VanDerWaalsContact CE2-CB 3.41Å; C381-L401 HydrophobicContact CB-CD2 4.35Å
382T90.6Very high80.9Confident62 Ų6279 Ų7938%0.3841%0.411SS..EExtended strand (participates in β ladder)trans-127179.2-176.8-169.40000111.5E399 A400 L402 L434T382-E399 WeakPolarHBondContact O-CA 3.37Å; T382-A400 PolarHBondContact N-O 2.56Å; T382-A400 PolarHBondContact O-N 3.43Å; T382-L402 HydrophobicContact CG2-CB 4.32Å; T382-L434 HydrophobicContact CG2-CD2 3.49Å; T382-L434 VanDerWaalsContact CG2-CD2 3.49Å
383R88.9Confident79.5Confident144 Ų14477.1 Ų77.154%0.54341%0.41SS..EExtended strand (participates in β ladder)trans-104.4128.5172.2-62.9-174.770.180.23.6109.8S397 V398 E399R383-S397 PolarHBondContact NH2-O 2.89Å; R383-S397 PolarHBondContact NH2-OG 3.39Å; R383-V398 CarbonylContact C-O 3.17Å; R383-V398 WeakPolarHBondContact CA-O 3.47Å; R383-E399 IonicContact NH1-OE1 3.61Å
384M85.1Confident78.4Confident35 Ų3582.1 Ų82.117%0.17242%0.424CS..EExtended strand (participates in β ladder)trans-105.7135.1175178.3-178.4173.100109.6S397 V398 A400 L434 P436M384-S397 CarbonylContact O-C 3.57Å; M384-S397 VanDerWaalsContact O-CA 3.26Å; M384-S397 WeakPolarHBondContact O-CA 3.48Å; M384-V398 HydrophobicContact CB-CG2 4.44Å; M384-V398 PolarHBondContact N-O 2.81Å; M384-V398 PolarHBondContact O-N 2.9Å; M384-A400 HydrophobicContact CB-CB 3.92Å; M384-L434 HydrophobicContact CB-CD1 4.23Å; M384-L434 HydrophobicContact CG-CD1 4.03Å; M384-L434 HydrophobicContact SD-CB 3.87Å; M384-L434 HydrophobicContact SD-CD1 4.19Å; M384-P436 HydrophobicContact SD-CG 4.42Å
385E83.8Confident77.3Confident119 Ų11986.1 Ų86.156%0.55644%0.441SS*.EExtended strand (participates in β ladder)trans-80.7131.2168.8-66.1-169.517000109.5K395E385-K395 VanDerWaalsContact OE2-CD 3.23Å; E385-K395 WeakPolarHBondContact OE2-CD 3.4Å; E385-K395 IonicContact OE2-NZ 3.26Å; E385-K395 PolarHBondContact OE2-NZ 2.79Å
386L81.3Confident76.6Confident10 Ų1083.7 Ų83.75%0.05243%0.434CS..EExtended strand (participates in β ladder)trans-82.1146.8174-66.4174.5000110.4S388 Q396 V398 P570L386-S388 PolarHBondContact O-N 3.04Å; L386-Q396 HydrophobicContact CD1-CB 4.36Å; L386-Q396 HydrophobicContact CD1-CG 4.14Å; L386-Q396 PolarHBondContact N-O 2.74Å; L386-V398 HydrophobicContact CD1-CG1 3.7Å; L386-V398 HydrophobicContact CD1-CG2 4.33Å; L386-V398 HydrophobicContact CD2-CG2 3.93Å; L386-V398 HydrophobicContact CG-CG1 4.24Å; L386-V398 HydrophobicContact CG-CG2 4.02Å; L386-P570 HydrophobicContact CD1-CB 4.11Å; L386-P570 HydrophobicContact CD1-CG 3.7Å
387P69.9Low76.2Confident93 Ų9386.1 Ų86.160%0.60445%0.451SS*.EExtended strand (participates in β ladder)trans-66.9-22.6178.9-22.936.4000113.9E363E363-P387 WeakPolarHBondContact O-CG 3.29Å
388S62.2Low75.9Confident69 Ų6984.5 Ų84.548%0.48344%0.444SS..EExtended strand (participates in β ladder)trans-79.5126.9-177.7-172.30000112.3L386L386-S388 PolarHBondContact O-N 3.04Å
389E59.3Low75.9Confident133 Ų13388.2 Ų88.262%0.62146%0.461SS*.EExtended strand (participates in β ladder)trans-84.1131170.2-71.2-173168.900110.1
390N59.9Low76Confident87 Ų8785 Ų8547%0.46544%0.442SS..PPolyproline II helixtrans-67.3163.4174.3-143.8-25.1000110K392 G393 E394N390-K392 PolarHBondContact O-N 2.85Å; N390-G393 PolarHBondContact O-N 2.81Å; N390-E394 PolarHBondContact N-O 2.83Å
391N55.7Low76.2Confident171 Ų17179.7 Ų79.791%0.91441%0.414SS*.THydrogen-bonded Turntrans-54.7-3-178.2-77.8-30.6000115.9
392K58.3Low76.3Confident182 Ų18279.5 Ų79.579%0.79141%0.41SS*.THydrogen-bonded Turntrans-111.53.6178.4-64.1-177.2178.8179.50114.4N390 E394N390-K392 PolarHBondContact O-N 2.85Å; K392-E394 VanDerWaalsContact C-N 3.31Å
393G61.1Low76.4Confident48 Ų4876.6 Ų76.650%0.49539%0.392SS..SBendtrans7417.2-178.400000114.6N390N390-G393 PolarHBondContact O-N 2.81Å
394E61.8Low76.6Confident138 Ų13871.4 Ų71.465%0.64537%0.374SS*.PPolyproline II helixtrans-93.1129.9174.1-73.9177.2175.200109.8N390 K392 Q396N390-E394 PolarHBondContact N-O 2.83Å; K392-E394 VanDerWaalsContact C-N 3.31Å; E394-Q396 PolarHBondContact O-N 3.04Å
395K68.6Low76.9Confident135 Ų13572.4 Ų72.459%0.58738%0.376SS*.EExtended strand (participates in β ladder)trans-67.7126.1172.3-67.7-172174.2-172.80110.3E385E385-K395 VanDerWaalsContact OE2-CD 3.23Å; E385-K395 WeakPolarHBondContact OE2-CD 3.4Å; E385-K395 IonicContact OE2-NZ 3.26Å; E385-K395 PolarHBondContact OE2-NZ 2.79Å
396Q77.4Confident77Confident54 Ų5469.7 Ų69.725%0.25237%0.365SS..EExtended strand (participates in β ladder)trans-83136.1178-170.5163.6-1.100110.4L386 E394L386-Q396 HydrophobicContact CD1-CB 4.36Å; L386-Q396 HydrophobicContact CD1-CG 4.14Å; L386-Q396 PolarHBondContact N-O 2.74Å; E394-Q396 PolarHBondContact O-N 3.04Å
397S83.4Confident76.7Confident51 Ų5176.1 Ų76.136%0.35740%0.395SS..EExtended strand (participates in β ladder)trans-120.4139.7173.556.40000111.5R383 M384R383-S397 PolarHBondContact NH2-O 2.89Å; R383-S397 PolarHBondContact NH2-OG 3.39Å; M384-S397 CarbonylContact O-C 3.57Å; M384-S397 VanDerWaalsContact O-CA 3.26Å; M384-S397 WeakPolarHBondContact O-CA 3.48Å
398V87.8Confident76.1Confident17 Ų1777.4 Ų77.410%0.10339%0.393CS..EExtended strand (participates in β ladder)trans-127.2156.5-178.8-64.90000110.1R383 M384 L386 Y438R383-V398 CarbonylContact C-O 3.17Å; R383-V398 WeakPolarHBondContact CA-O 3.47Å; M384-V398 HydrophobicContact CB-CG2 4.44Å; M384-V398 PolarHBondContact N-O 2.81Å; M384-V398 PolarHBondContact O-N 2.9Å; L386-V398 HydrophobicContact CD1-CG1 3.7Å; L386-V398 HydrophobicContact CD1-CG2 4.33Å; L386-V398 HydrophobicContact CD2-CG2 3.93Å; L386-V398 HydrophobicContact CG-CG1 4.24Å; L386-V398 HydrophobicContact CG-CG2 4.02Å; V398-Y438 HydrophobicContact CB-CE1 3.95Å; V398-Y438 HydrophobicContact CG1-CE1 3.94Å; V398-Y438 HydrophobicContact CG2-CE1 3.94Å
399E91.1Very high75.5Confident91 Ų9179.6 Ų79.643%0.42541%0.405SS..EExtended strand (participates in β ladder)trans-77.9137.3173.4-68.5172.2176.100110T382 R383 L437T382-E399 WeakPolarHBondContact O-CA 3.37Å; R383-E399 IonicContact NH1-OE1 3.61Å; E399-L437 HydrophobicContact CB-CD1 3.59Å; E399-L437 HydrophobicContact CB-CG 3.96Å; E399-L437 PolarHBondContact O-N 3.27Å
400A91.7Very high74.7Confident0 Ų080.2 Ų80.20%041%0.413CS..EExtended strand (participates in β ladder)trans-142.1146.1-17800000111.2T382 M384 L434 L435T382-A400 PolarHBondContact N-O 2.56Å; T382-A400 PolarHBondContact O-N 3.43Å; M384-A400 HydrophobicContact CB-CB 3.92Å; A400-L434 HydrophobicContact CB-CB 4.34Å; A400-L434 HydrophobicContact CB-CD2 4.38Å; A400-L435 CarbonylContact C-O 3.53Å; A400-L435 WeakPolarHBondContact CA-O 3.1Å; A400-L435 WeakPolarHBondContact CB-O 3.43Å
401L92.6Very high73.9Confident0 Ų084 Ų840%043%0.433CS..EExtended strand (participates in β ladder)trans-80.6122.8168.9-78.5-179.2000110.2V338 V341 Y342 I378 C381 L434 L435 L437V338-L401 HydrophobicContact CG1-CB 4.15Å; V338-L401 HydrophobicContact CG1-CD1 3.66Å; V338-L401 HydrophobicContact CG1-CG 4Å; V341-L401 HydrophobicContact CB-CD1 4.05Å; V341-L401 HydrophobicContact CG1-CD1 3.89Å; Y342-L401 HydrophobicContact CD2-CD2 3.71Å; Y342-L401 HydrophobicContact CG-CD2 4.22Å; I378-L401 HydrophobicContact CG2-CD2 4.09Å; C381-L401 HydrophobicContact CB-CD2 4.35Å; L401-L434 WeakPolarHBondContact O-CA 3.16Å; L401-L435 HydrophobicContact CB-CB 4.29Å; L401-L435 PolarHBondContact N-O 2.76Å; L401-L435 PolarHBondContact O-N 3.42Å; L401-L437 HydrophobicContact CD2-CD2 4.47Å; L401-L437 HydrophobicContact CG-CD2 3.84Å
402L92.6Very high73.4Confident31 Ų3183.8 Ų83.816%0.16243%0.426CS..EExtended strand (participates in β ladder)trans-79.3122.7166.2179.365.3000109.1V379 D380 T382 E432 L434V379-L402 HydrophobicContact CB-CB 4.46Å; V379-L402 HydrophobicContact CB-CD2 4.25Å; V379-L402 HydrophobicContact CB-CG 4.16Å; V379-L402 WeakPolarHBondContact CB-O 3.5Å; V379-L402 HydrophobicContact CG1-CD2 4.15Å; V379-L402 PolarHBondContact N-O 3.46Å; D380-L402 PolarHBondContact N-O 2.79Å; D380-L402 PolarHBondContact O-N 2.85Å; T382-L402 HydrophobicContact CG2-CB 4.32Å; L402-E432 HydrophobicContact CD1-CB 4.03Å; L402-E432 HydrophobicContact CD1-CG 4.23Å; L402-L434 HydrophobicContact CB-CD2 4.07Å; L402-L434 HydrophobicContact CD1-CD2 3.89Å; L402-L434 HydrophobicContact CD1-CG 4.49Å
403C92.6Very high72.6Confident1 Ų183.6 Ų83.61%0.00743%0.428CS..EExtended strand (participates in β ladder)trans-127.4147.4177.9-54.10000110.9L376 Q377 E432 V433L376-C403 HydrophobicContact CB-CB 4.11Å; Q377-C403 CarbonylContact O-C 3.5Å; Q377-C403 WeakPolarHBondContact O-CA 3.42Å; C403-E432 WeakPolarHBondContact O-CA 3.34Å; C403-V433 HydrophobicContact CB-CG1 3.79Å; C403-V433 PolarHBondContact N-O 2.84Å; C403-V433 PolarHBondContact O-N 2.9Å
404H92.5Very high71.9Confident34 Ų3488.9 Ų88.916%0.15745%0.445CS..EExtended strand (participates in β ladder)trans-94.2128.8166-62.9154.7000109.7L376 Q377 V379 K430L376-H404 WeakPolarHBondContact CA-O 3.31Å; Q377-H404 HydrophobicContact CB-CB 4.42Å; Q377-H404 PolarHBondContact N-O 3.2Å; Q377-H404 PolarHBondContact O-N 2.67Å; V379-H404 VanDerWaalsContact CG2-CE1 3.48Å; V379-H404 WeakPolarHBondContact CG2-CE1 3.19Å; H404-K430 HydrophobicContact CB-CB 4.19Å; H404-K430 HydrophobicContact CB-CD 4.4Å
405R91.2Very high70.8Confident56 Ų5690.2 Ų90.221%0.21146%0.457CS..EExtended strand (participates in β ladder)trans-72.3126.7166.9-72.4174.7168.6171.93.6109.2G369 E374 L376 E431 V433G369-R405 PolarHBondContact O-NH2 3.24Å; E374-R405 IonicContact OE2-NE 2.81Å; L376-R405 HydrophobicContact CD2-CB 4.43Å; L376-R405 HydrophobicContact CD2-CG 3.58Å; R405-E431 HydrophobicContact CB-CB 4.23Å; R405-E431 WeakPolarHBondContact CD-OE2 3.23Å; R405-E431 IonicContact CZ-OE1 2.57Å; R405-E431 IonicContact CZ-OE2 2.63Å; R405-E431 PolarHBondContact N-O 2.56Å; R405-E431 IonicContact NE-OE2 3.06Å; R405-E431 IonicContact NH1-OE1 2.85Å; R405-E431 PolarHBondContact NH1-OE1 3.3Å; R405-E431 IonicContact NH1-OE2 2.73Å; R405-E431 PolarHBondContact NH1-OE2 2.9Å; R405-V433 HydrophobicContact CG-CG1 4.15Å
406L86.8Confident69.8Low62 Ų6292.6 Ų92.633%0.32547%0.47SS..EExtended strand (participates in β ladder)trans-94.3117.5173.6-55.5176.3000107.7T352 R375 Q377T352-L406 HydrophobicContact CG2-CD1 3.82Å; R375-L406 HydrophobicContact CB-CB 4.07Å; R375-L406 HydrophobicContact CB-CD1 4.26Å; R375-L406 PolarHBondContact O-N 3.26Å; Q377-L406 HydrophobicContact CB-CD1 4.3Å; Q377-L406 HydrophobicContact CB-CD2 4.26Å; Q377-L406 HydrophobicContact CB-CG 4.33Å
407Q73.1Confident68.2Low146 Ų14698.3 Ų98.368%0.68250%0.497SS*.PPolyproline II helixtrans-69.3141.3170.9-72.3175.9-4.200109.3
408E58.4Low66.1Low120 Ų120103.3 Ų103.356%0.56152%0.519SS*.PPolyproline II helixtrans-72.5136.7167.9-61.5-159.4136.200107.4R375 D410R375-E408 IonicContact CZ-OE1 3.65Å; R375-E408 IonicContact NE-OE1 2.72Å; R375-E408 IonicContact NH2-OE1 2.95Å; R375-E408 PolarHBondContact NH2-OE1 2.99Å; E408-D410 PolarHBondContact O-N 3.36Å; E408-D410 VanDerWaalsContact O-N 3.13Å
409P48.7Very low64.2Low114 Ų114111.4 Ų111.474%0.7456%0.556SS**PPolyproline II helixtrans-62.3119.4172.525.7-30.5000107.2D411P409-D411 PolarHBondContact O-N 2.54Å; P409-D411 VanDerWaalsContact O-N 3.1Å
410D42.9Very low61.9Low147 Ų147114.2 Ų114.279%0.78657%0.574SS**  trans-60114.8176.4-73.3-38.5000108.5E408 E412E408-D410 PolarHBondContact O-N 3.36Å; E408-D410 VanDerWaalsContact O-N 3.13Å; D410-E412 PolarHBondContact O-N 3.14Å
411D43.5Very low59.5Low167 Ų167123.5 Ų123.589%0.89362%0.618SS**  trans-74.753169.2-75.4-37.2000109.6P409P409-D411 PolarHBondContact O-N 2.54Å; P409-D411 VanDerWaalsContact O-N 3.1Å
412E45.1Very low56.9Low165 Ų165130.8 Ų130.877%0.77165%0.652SS**  trans-111.496.5171.5-70.8-166.1177.500110.3D410D410-E412 PolarHBondContact O-N 3.14Å
413E40.9Very low54.3Low178 Ų178139.2 Ų139.283%0.83269%0.687SS**  trans70.7110.3140.6-58.2-174168.800118.9D415E413-D415 PolarHBondContact O-N 3.47Å
414D46.3Very low51.6Low160 Ų160147 Ų14786%0.85673%0.728SS**  trans-8.8108.4137.7-66.3-40.1000114.2
415D39.3Very low49.1Very low166 Ų166152.9 Ų152.989%0.88875%0.754SS**  trans-144108.1139.4-89.7-33000107.9E413E413-D415 PolarHBondContact O-N 3.47Å
416E48.4Very low46.5Very low185 Ų185158.8 Ų158.886%0.86478%0.784SS**  trans-59.1131.4163.3-65.1-177.9167.400108.6
417E43.7Very low44.2Very low173 Ų173165.1 Ų165.181%0.80881%0.812SS**  trans140.193.3149.6-75.8175.7-168.700111.2
418D38.1Very low42.9Very low156 Ų156164.4 Ų164.483%0.83481%0.808SS**  155.590.2125.2-78-24.2000109.7
419E48.8Very low42.5Very low187 Ų187163.2 Ų163.287%0.87482%0.819SS**  trans-63.4135.1162.3-68.9-178.7152.400108.9
420D43.3Very low43.3Very low150 Ų150163.8 Ų163.880%0.80281%0.81SS**SBendtrans91.958.8166.1-52.9-35.1000118.4
421E40.7Very low45.3Very low196 Ų196161.6 Ų161.692%0.91680%0.795SS**SBendtrans-162.618.9146.6-114171.4-142.300118.7
422E38.1Very low47.5Very low153 Ų153160 Ų16072%0.71578%0.782SS**  trans-130.367.8175-67.4-137.9150.600114
423K36.9Very low49.7Very low207 Ų207152.5 Ų152.590%0.975%0.747SS**SBendtrans-98.89.3167.8-83.3-171.6-177.31730115
424D37.8Very low52.1Low165 Ų165146.7 Ų146.788%0.88272%0.722SS**SBendtrans-131.723-176.7-82-32.9000114.8
425K38.7Very low54.3Low158 Ų158139.2 Ų139.269%0.68768%0.682SS**  trans-142.948.4176.8-72-173.1-175.9167.40115.4
426Q36.7Very low56.8Low180 Ų180131.3 Ų131.384%0.84164%0.64SS**  trans-127.247.2162.2-79.8-177.6-7.900111
427E39.5Very low58.9Low195 Ų195122.6 Ų122.691%0.91160%0.599SS**  trans-89.464.5144.4-73.8-175.316800106.8A429E427-A429 PolarHBondContact O-N 2.71Å
428E44.7Very low61Low131 Ų131115.2 Ų115.261%0.61256%0.564SS**  trans-56.3124.2162.9-77.8179.2166.300107K430E428-K430 PolarHBondContact O-N 2.96Å
429A50.3Low63.5Low95 Ų95108 Ų10879%0.78553%0.525SS*.  trans-5798.7179.900000108.7E427 E431E427-A429 PolarHBondContact O-N 2.71Å; A429-E431 PolarHBondContact O-N 2.84Å
430K66.8Low65.4Low126 Ų126105.9 Ų105.955%0.54852%0.515SS..  trans-59.2113.8175.1-67.7-177.8-178.5179.30107.1H404 E428 E432H404-K430 HydrophobicContact CB-CB 4.19Å; H404-K430 HydrophobicContact CB-CD 4.4Å; E428-K430 PolarHBondContact O-N 2.96Å; K430-E432 PolarHBondContact O-N 2.88Å; K430-E432 VanDerWaalsContact O-N 3.13Å
431E83.8Confident67.4Low101 Ų10199.5 Ų99.547%0.47249%0.485SS..  trans-64.8116.3-177.6-172.6-173.4-169.900109.1R405 A429R405-E431 HydrophobicContact CB-CB 4.23Å; R405-E431 WeakPolarHBondContact CD-OE2 3.23Å; R405-E431 IonicContact CZ-OE1 2.57Å; R405-E431 IonicContact CZ-OE2 2.63Å; R405-E431 PolarHBondContact N-O 2.56Å; R405-E431 IonicContact NE-OE2 3.06Å; R405-E431 IonicContact NH1-OE1 2.85Å; R405-E431 PolarHBondContact NH1-OE1 3.3Å; R405-E431 IonicContact NH1-OE2 2.73Å; R405-E431 PolarHBondContact NH1-OE2 2.9Å; A429-E431 PolarHBondContact O-N 2.84Å
432E90.2Very high69.7Low132 Ų13293.3 Ų93.362%0.61746%0.456SS*.EExtended strand (participates in β ladder)trans-81.3133.3178.8-68.6-174.9172.200110.5L402 C403 K430L402-E432 HydrophobicContact CD1-CB 4.03Å; L402-E432 HydrophobicContact CD1-CG 4.23Å; C403-E432 WeakPolarHBondContact O-CA 3.34Å; K430-E432 PolarHBondContact O-N 2.88Å; K430-E432 VanDerWaalsContact O-N 3.13Å
433V91.3Very high72.4Confident8 Ų886.2 Ų86.25%0.04842%0.423CS..EExtended strand (participates in β ladder)trans-127.9135173.766.60000110.1P368 L376 C403 R405 L435P368-V433 HydrophobicContact CB-CG2 3.63Å; P368-V433 HydrophobicContact CG-CG2 3.73Å; L376-V433 HydrophobicContact CD2-CG1 3.9Å; C403-V433 HydrophobicContact CB-CG1 3.79Å; C403-V433 PolarHBondContact N-O 2.84Å; C403-V433 PolarHBondContact O-N 2.9Å; R405-V433 HydrophobicContact CG-CG1 4.15Å; V433-L435 HydrophobicContact CG2-CD2 4.14Å
434L91.4Very high75Confident57 Ų5778.1 Ų78.130%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-101.3120.1175.9-71.3170.3000109.6P368 T382 M384 A400 L401 L402P368-L434 WeakPolarHBondContact CG-O 3.36Å; T382-L434 HydrophobicContact CG2-CD2 3.49Å; T382-L434 VanDerWaalsContact CG2-CD2 3.49Å; M384-L434 HydrophobicContact CB-CD1 4.23Å; M384-L434 HydrophobicContact CG-CD1 4.03Å; M384-L434 HydrophobicContact SD-CB 3.87Å; M384-L434 HydrophobicContact SD-CD1 4.19Å; A400-L434 HydrophobicContact CB-CB 4.34Å; A400-L434 HydrophobicContact CB-CD2 4.38Å; L401-L434 WeakPolarHBondContact O-CA 3.16Å; L402-L434 HydrophobicContact CB-CD2 4.07Å; L402-L434 HydrophobicContact CD1-CD2 3.89Å; L402-L434 HydrophobicContact CD1-CG 4.49Å
435L92.7Very high77.7Confident3 Ų370.8 Ų70.82%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-105.1110.1177.6-55.2-179000109.4V338 P368 L370 L376 A400 L401 V433 L437 M439 F443V338-L435 HydrophobicContact CB-CB 4.4Å; V338-L435 HydrophobicContact CG1-CB 3.54Å; V338-L435 HydrophobicContact CG1-CD1 4.4Å; V338-L435 WeakPolarHBondContact CG1-O 3.47Å; V338-L435 HydrophobicContact CG2-CB 3.92Å; V338-L435 HydrophobicContact CG2-CD1 4.31Å; P368-L435 HydrophobicContact CG-CD2 3.58Å; L370-L435 HydrophobicContact CD1-CD2 3.92Å; L370-L435 HydrophobicContact CD2-CD2 4.38Å; L376-L435 HydrophobicContact CD1-CD1 3.94Å; A400-L435 CarbonylContact C-O 3.53Å; A400-L435 WeakPolarHBondContact CA-O 3.1Å; A400-L435 WeakPolarHBondContact CB-O 3.43Å; L401-L435 HydrophobicContact CB-CB 4.29Å; L401-L435 PolarHBondContact N-O 2.76Å; L401-L435 PolarHBondContact O-N 3.42Å; V433-L435 HydrophobicContact CG2-CD2 4.14Å; L435-L437 PolarHBondContact O-N 3.42Å; L435-M439 HydrophobicContact CD2-SD 4.25Å; L435-F443 HydrophobicContact CD1-CE1 4.31Å; L435-F443 HydrophobicContact CD1-CZ 4.32Å
436P92Very high80.1Confident0 Ų065.8 Ų65.80%033%0.333CS..EExtended strand (participates in β ladder)trans-59.6136.5177.6-23.533.8000111.7V338 G366 L367 M384 Y438 M439V338-P436 WeakPolarHBondContact CB-O 2.94Å; G366-P436 VanDerWaalsContact O-CG 3.28Å; G366-P436 WeakPolarHBondContact O-CG 3.34Å; L367-P436 HydrophobicContact CD2-CG 4.25Å; M384-P436 HydrophobicContact SD-CG 4.42Å; P436-Y438 HydrophobicContact CB-CD1 3.93Å; P436-Y438 HydrophobicContact CB-CE1 3.43Å; P436-Y438 VanDerWaalsContact CB-CE1 3.43Å; P436-Y438 HydrophobicContact CB-CE2 4.13Å; P436-Y438 HydrophobicContact CB-CG 4.46Å; P436-Y438 HydrophobicContact CG-CE1 4.46Å; P436-Y438 PolarHBondContact O-N 2.92Å; P436-Y438 VanDerWaalsContact O-N 3.11Å; P436-M439 WeakPolarHBondContact O-CB 3.45Å; P436-M439 PolarHBondContact O-N 3.44Å
437L91.3Very high82.6Confident2 Ų259.2 Ų59.21%0.0130%0.304CS..THydrogen-bonded Turntrans-61.3-27.7-174.3-70.7-170.5000113.7V338 Y339 Y342 E399 L401 L435 M439 P567V338-L437 HydrophobicContact CG1-CD2 4.18Å; Y339-L437 VanDerWaalsContact CB-O 3.3Å; Y339-L437 WeakPolarHBondContact CB-O 3.46Å; Y339-L437 PolarHBondContact N-O 3.04Å; Y342-L437 HydrophobicContact CD1-CD1 4.22Å; Y342-L437 HydrophobicContact CD1-CD2 4.39Å; Y342-L437 HydrophobicContact CG-CD1 4.44Å; Y342-L437 HydrophobicContact CG-CD2 3.93Å; E399-L437 HydrophobicContact CB-CD1 3.59Å; E399-L437 HydrophobicContact CB-CG 3.96Å; E399-L437 PolarHBondContact O-N 3.27Å; L401-L437 HydrophobicContact CD2-CD2 4.47Å; L401-L437 HydrophobicContact CG-CD2 3.84Å; L435-L437 PolarHBondContact O-N 3.42Å; L437-M439 PolarHBondContact O-N 3.28Å; L437-P567 HydrophobicContact CB-CG 3.49Å; L437-P567 VanDerWaalsContact CB-CG 3.49Å; L437-P567 HydrophobicContact CD1-CG 4.46Å
438Y88.8Confident84.2Confident17 Ų1754.1 Ų54.17%0.06730%0.304CS..THydrogen-bonded Turntrans-77.7-9177.660.2-96.2000113.6E365 L367 V398 P436 Q440 P567 P569E365-Y438 PolarHBondContact O-OH 3.29Å; L367-Y438 HydrophobicContact CD2-CE2 4.29Å; V398-Y438 HydrophobicContact CB-CE1 3.95Å; V398-Y438 HydrophobicContact CG1-CE1 3.94Å; V398-Y438 HydrophobicContact CG2-CE1 3.94Å; P436-Y438 HydrophobicContact CB-CD1 3.93Å; P436-Y438 HydrophobicContact CB-CE1 3.43Å; P436-Y438 VanDerWaalsContact CB-CE1 3.43Å; P436-Y438 HydrophobicContact CB-CE2 4.13Å; P436-Y438 HydrophobicContact CB-CG 4.46Å; P436-Y438 HydrophobicContact CG-CE1 4.46Å; P436-Y438 PolarHBondContact O-N 2.92Å; P436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-Q440 PolarHBondContact O-N 3Å; Y438-P567 WeakPolarHBondContact CB-O 3.48Å; Y438-P569 HydrophobicContact CD2-CB 3.88Å; Y438-P569 HydrophobicContact CD2-CG 3.96Å; Y438-P569 HydrophobicContact CE2-CB 4.33Å; Y438-P569 HydrophobicContact CG-CB 4.35Å; Y438-P569 HydrophobicContact CG-CG 4.37Å
439M89.8Confident85.8Confident5 Ų551.4 Ų51.43%0.02529%0.291CS..  trans-63.6128.3-179.5177.3-176.7-178.200110.8V338 C359 L367 L370 L435 P436 L437V338-M439 HydrophobicContact CB-CB 4.33Å; V338-M439 HydrophobicContact CG2-CB 3.69Å; V338-M439 HydrophobicContact CG2-CG 3.9Å; V338-M439 HydrophobicContact CG2-SD 3.88Å; V338-M439 PolarHBondContact N-O 3Å; C359-M439 HydrophobicContact CB-CE 3.93Å; C359-M439 WeakPolarHBondContact SG-CE 3.28Å; L367-M439 HydrophobicContact CD2-CB 3.93Å; L367-M439 HydrophobicContact CD2-CG 3.89Å; L367-M439 HydrophobicContact CD2-SD 4.24Å; L370-M439 HydrophobicContact CD1-CE 3.81Å; L435-M439 HydrophobicContact CD2-SD 4.25Å; P436-M439 WeakPolarHBondContact O-CB 3.45Å; P436-M439 PolarHBondContact O-N 3.44Å; L437-M439 PolarHBondContact O-N 3.28Å
440Q88.4Confident87.2Confident143 Ų14352.1 Ų52.167%0.66828%0.282SS*.EExtended strand (participates in β ladder)trans-81.6141.9168.3-61.7-61.1-5800109.1N336 Y438N336-Q440 PolarHBondContact O-OE1 3.42Å; Y438-Q440 PolarHBondContact O-N 3Å
441G85.4Confident88.3Confident16 Ų1651.5 Ų51.517%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-169.1171.2-179.700000110.8N336N336-G441 CarbonylContact C-O 3.54Å; N336-G441 WeakPolarHBondContact CA-O 3.43Å; N336-G441 PolarHBondContact O-N 3.45Å
442H90.2Very high88.8Confident66 Ų6652 Ų5231%0.30628%0.28SS..EExtended strand (participates in β ladder)trans-122.2109.7173.5-66.9-78.1000109.6F335 N336 T356 R357F335-H442 WeakPolarHBondContact O-CA 3.06Å; N336-H442 PolarHBondContact OD1-CE1 2.87Å; N336-H442 VanDerWaalsContact OD1-CE1 3.28Å; N336-H442 PolarHBondContact OD1-ND1 3.41Å; N336-H442 VanDerWaalsContact OD1-ND1 3.1Å; T356-H442 PolarHBondContact N-O 3.33Å; T356-H442 WeakPolarHBondContact OG1-CB 3.33Å; T356-H442 PolarHBondContact OG1-O 2.86Å; R357-H442 HydrophobicContact CB-CB 4.2Å
443F93.6Very high88.9Confident4 Ų445.9 Ų45.92%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-119141.3-176.9-52.8-86.7000109.8F335 V338 V341 V353 S354 V355 L370 L376 L435F335-F443 HydrophobicContact CB-CB 4.28Å; F335-F443 HydrophobicContact CD2-CB 4.33Å; F335-F443 PolarHBondContact N-O 2.78Å; F335-F443 PolarHBondContact O-N 3.03Å; V338-F443 HydrophobicContact CG2-CE2 3.76Å; V338-F443 HydrophobicContact CG2-CZ 3.86Å; V341-F443 HydrophobicContact CG2-CB 3.95Å; V341-F443 HydrophobicContact CG2-CD2 3.83Å; V341-F443 HydrophobicContact CG2-CG 4Å; V353-F443 HydrophobicContact CB-CB 4.08Å; V353-F443 HydrophobicContact CG1-CB 4.49Å; V353-F443 HydrophobicContact CG2-CB 4.19Å; V353-F443 HydrophobicContact CG2-CD1 3.99Å; V353-F443 HydrophobicContact CG2-CG 4.41Å; S354-F443 WeakPolarHBondContact O-CA 3.41Å; V355-F443 HydrophobicContact CG2-CD1 4.19Å; V355-F443 HydrophobicContact CG2-CE1 4.07Å; L370-F443 HydrophobicContact CD1-CE1 4.02Å; L370-F443 HydrophobicContact CD1-CZ 4.21Å; L376-F443 HydrophobicContact CD1-CE1 4.27Å; L435-F443 HydrophobicContact CD1-CE1 4.31Å; L435-F443 HydrophobicContact CD1-CZ 4.32Å
444V93.1Very high89Confident37 Ų3750 Ų5022%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-124128.6177.5175.90000109.3P332 R333 E334 V353 S354 T356 V446P332-V444 HydrophobicContact CB-CG1 3.46Å; P332-V444 VanDerWaalsContact CB-CG1 3.46Å; P332-V444 HydrophobicContact CG-CG1 4.41Å; R333-V444 WeakPolarHBondContact O-CA 3.3Å; E334-V444 HydrophobicContact CG-CG2 4.24Å; V353-V444 CarbonylContact C-O 3.58Å; V353-V444 VanDerWaalsContact CA-O 3.31Å; V353-V444 WeakPolarHBondContact CA-O 3.47Å; S354-V444 PolarHBondContact N-O 2.75Å; S354-V444 PolarHBondContact O-N 2.75Å; T356-V444 HydrophobicContact CG2-CB 4.04Å; T356-V444 HydrophobicContact CG2-CG2 3.49Å; T356-V444 VanDerWaalsContact CG2-CG2 3.49Å; V444-V446 PolarHBondContact O-N 2.88Å
445E93Very high89.1Confident10 Ų1047.5 Ų47.55%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-59.8129.7178.1-177.5177.5-157.400111.9R330 P332 R333 F335 L351 L447R330-E445 IonicContact NH2-OE1 2.81Å; R330-E445 PolarHBondContact NH2-OE1 3.32Å; P332-E445 VanDerWaalsContact CB-O 3.24Å; P332-E445 WeakPolarHBondContact CB-O 3.49Å; R333-E445 HydrophobicContact CB-CB 4.28Å; R333-E445 WeakPolarHBondContact CG-OE2 3.42Å; R333-E445 IonicContact CZ-OE1 3.85Å; R333-E445 IonicContact CZ-OE2 3.76Å; R333-E445 PolarHBondContact N-OE2 3.42Å; R333-E445 IonicContact NE-OE1 3.91Å; R333-E445 IonicContact NE-OE2 3.87Å; R333-E445 PolarHBondContact NE-OE2 3.18Å; R333-E445 IonicContact NH2-OE1 3.71Å; R333-E445 PolarHBondContact NH2-OE1 2.74Å; R333-E445 IonicContact NH2-OE2 2.94Å; R333-E445 PolarHBondContact O-N 3.45Å; F335-E445 HydrophobicContact CE2-CB 4.18Å; L351-E445 HydrophobicContact CD1-CG 3.8Å; E445-L447 HydrophobicContact CG-CD2 3.9Å
446V90.3Very high88.9Confident53 Ų5348.9 Ų48.932%0.32127%0.265SS..PPolyproline II helixtrans-86.7118.3175.5-177.80000108.9T352 V444T352-V446 HydrophobicContact CG2-CB 4.11Å; T352-V446 HydrophobicContact CG2-CG2 4.19Å; T352-V446 PolarHBondContact O-N 3.28Å; V444-V446 PolarHBondContact O-N 2.88Å
447L88Confident88.8Confident42 Ų4251.1 Ų51.122%0.2228%0.277CS..PPolyproline II helixtrans-103.5122.4177.7-60.7-177.3000110.6R330 P332 E445R330-L447 HydrophobicContact CB-CD1 3.78Å; P332-L447 HydrophobicContact CG-CD1 4.09Å; P332-L447 HydrophobicContact CG-CG 4.28Å; E445-L447 HydrophobicContact CG-CD2 3.9Å
448G73.4Confident88.6Confident89 Ų8951 Ų5192%0.91828%0.276SS*.  trans-83.5-9.1176.200000114.9
449E77.8Confident88.1Confident74 Ų7452.5 Ų52.535%0.34630%0.296SS..  trans-122.4137.7-171.960.9179.6-177.500113.3R330 Y453 F462R330-E449 IonicContact CZ-OE1 3.93Å; R330-E449 IonicContact NH1-OE1 2.99Å; R330-E449 PolarHBondContact NH1-OE1 3.1Å; E449-Y453 PolarHBondContact OE1-OH 3.2Å; E449-Y453 PolarHBondContact OE2-OH 3.42Å; E449-F462 WeakPolarHBondContact OE1-CE1 3.18Å; E449-F462 WeakPolarHBondContact OE1-CZ 3.15Å
450N81.1Confident87.8Confident110 Ų11060 Ų6059%0.58833%0.329SS*.  trans-114.726.2179.2-158.96000113R329R329-N450 WeakPolarHBondContact CD-OD1 3.14Å; R329-N450 PolarHBondContact NE-O 3.18Å; R329-N450 PolarHBondContact NE-OD1 2.8Å; R329-N450 PolarHBondContact NH1-OD1 3.17Å; R329-N450 PolarHBondContact NH2-O 3.41Å; R329-N450 PolarHBondContact NH2-OD1 3.31Å
451K89.8Confident87.6Confident112 Ų11257.8 Ų57.849%0.48732%0.319SS..  trans-71.3157.2-175.6-179.7179.6172.4-159.20111.4Y453 E461K451-Y453 HydrophobicContact CB-CE2 3.84Å; K451-Y453 WeakPolarHBondContact CB-OH 3.34Å; K451-Y453 HydrophobicContact CD-CE1 3.75Å; K451-Y453 HydrophobicContact CG-CE1 4.13Å; K451-Y453 HydrophobicContact CG-CE2 4.15Å; K451-Y453 WeakPolarHBondContact O-CE2 3.29Å; K451-E461 IonicContact NZ-OE2 3.87Å
452K92.8Very high87.6Confident111 Ų11158.9 Ų58.948%0.48332%0.319SS..  trans-102.7131.4174.6-61-174.4-177.7-179.90109.2R327 F328 V471R327-K452 HydrophobicContact CB-CB 4.38Å; F328-K452 CarbonylContact O-C 3.5Å; F328-K452 WeakPolarHBondContact O-CA 3.31Å; K452-V471 HydrophobicContact CD-CG2 3.99Å; K452-V471 HydrophobicContact CG-CG2 4.05Å
453Y93.3Very high87.4Confident5 Ų557.7 Ų57.72%0.0232%0.318CS..BIsolated β-bridgetrans-117.6153-176.6-56.3-93.1000111.2R327 F328 R330 E449 K451 L458 E461 F462R327-Y453 WeakPolarHBondContact CA-O 2.98Å; R327-Y453 WeakPolarHBondContact CD-O 3.43Å; F328-Y453 PolarHBondContact N-O 3.37Å; F328-Y453 PolarHBondContact O-N 2.93Å; R330-Y453 HydrophobicContact CG-CE2 4.42Å; E449-Y453 PolarHBondContact OE1-OH 3.2Å; E449-Y453 PolarHBondContact OE2-OH 3.42Å; K451-Y453 HydrophobicContact CB-CE2 3.84Å; K451-Y453 WeakPolarHBondContact CB-OH 3.34Å; K451-Y453 HydrophobicContact CD-CE1 3.75Å; K451-Y453 HydrophobicContact CG-CE1 4.13Å; K451-Y453 HydrophobicContact CG-CE2 4.15Å; K451-Y453 WeakPolarHBondContact O-CE2 3.29Å; Y453-L458 HydrophobicContact CD1-CD2 4.3Å; Y453-L458 HydrophobicContact CD2-CD2 4.01Å; Y453-L458 HydrophobicContact CG-CD2 3.73Å; Y453-L458 HydrophobicContact CG-CG 4.37Å; Y453-E461 VanDerWaalsContact CE1-OE2 3.28Å; Y453-E461 WeakPolarHBondContact CE1-OE2 3.34Å; Y453-F462 HydrophobicContact CD1-CE2 4.08Å; Y453-F462 AromaticContact CE1-CE2 3.66Å; Y453-F462 HydrophobicContact CE1-CE2 3.66Å; Y453-F462 AromaticContact CE1-CZ 3.9Å; Y453-F462 HydrophobicContact CE1-CZ 3.9Å; Y453-F462 AromaticContact CZ-CE2 3.93Å; Y453-F462 AromaticContact CZ-CZ 3.91Å
454K93.4Very high87.1Confident94 Ų9459.6 Ų59.641%0.40933%0.328SS..  trans-82.2155.4161.2-50.2-170.6178.6170.40109C456 D457 L458K454-C456 PolarHBondContact O-N 3.24Å; K454-D457 VanDerWaalsContact CB-OD2 3.28Å; K454-D457 WeakPolarHBondContact CB-OD2 3.24Å; K454-D457 WeakPolarHBondContact CG-OD2 3.41Å; K454-D457 PolarHBondContact O-N 3.22Å; K454-D457 VanDerWaalsContact O-N 3.11Å; K454-L458 PolarHBondContact O-N 3.41Å
455L92.6Very high86.9Confident4 Ų459.6 Ų59.62%0.02133%0.328CS..Hα-helixtrans-59-38.6177.4-171.859.6000112.3V304 V320 F328 D457 L458 I490V304-L455 HydrophobicContact CB-CD1 4.35Å; V304-L455 HydrophobicContact CB-CD2 4.21Å; V304-L455 HydrophobicContact CB-CG 4.41Å; V304-L455 HydrophobicContact CG1-CD1 4.18Å; V304-L455 HydrophobicContact CG2-CD1 4.32Å; V304-L455 HydrophobicContact CG2-CD2 4.24Å; V304-L455 HydrophobicContact CG2-CG 4.09Å; V320-L455 HydrophobicContact CB-CD2 3.94Å; V320-L455 HydrophobicContact CG1-CD2 3.43Å; V320-L455 VanDerWaalsContact CG1-CD2 3.43Å; F328-L455 HydrophobicContact CD2-CB 4.29Å; F328-L455 HydrophobicContact CD2-CD1 4.48Å; F328-L455 HydrophobicContact CE2-CB 3.83Å; F328-L455 HydrophobicContact CE2-CD1 4.02Å; F328-L455 HydrophobicContact CE2-CG 4.36Å; F328-L455 HydrophobicContact CZ-CD1 4.15Å; L455-D457 PolarHBondContact O-N 3.04Å; L455-L458 PolarHBondContact O-N 3.18Å; L455-I490 HydrophobicContact CD1-CD1 4.16Å
456C88.9Confident86.8Confident32 Ų3259.3 Ų59.322%0.21633%0.327CS..Hα-helixtrans-66-18.8178.7620000114.7Q322 K454 K460Q322-C456 HydrophobicContact CB-CB 4.16Å; K454-C456 PolarHBondContact O-N 3.24Å; C456-K460 WeakPolarHBondContact O-CE 3.44Å
457D90.2Very high86.9Confident48 Ų4857 Ų5726%0.25731%0.313SS..Hα-helixtrans-93.8-32.5-176.5-55.6-27.3000110.7K454 L455 G459 K460 E461K454-D457 VanDerWaalsContact CB-OD2 3.28Å; K454-D457 WeakPolarHBondContact CB-OD2 3.24Å; K454-D457 WeakPolarHBondContact CG-OD2 3.41Å; K454-D457 PolarHBondContact O-N 3.22Å; K454-D457 VanDerWaalsContact O-N 3.11Å; L455-D457 PolarHBondContact O-N 3.04Å; D457-G459 PolarHBondContact O-N 3.43Å; D457-K460 PolarHBondContact O-N 2.94Å; D457-E461 PolarHBondContact O-N 3.11Å
458L87.4Confident87.2Confident0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-58.2-45-177.7-75.4171.1000113.3F328 R330 Y453 K454 L455 K460 F462 V468 I490F328-L458 HydrophobicContact CB-CD1 3.77Å; F328-L458 HydrophobicContact CD2-CD1 4.41Å; F328-L458 HydrophobicContact CG-CD1 4.08Å; R330-L458 HydrophobicContact CG-CD2 4.38Å; Y453-L458 HydrophobicContact CD1-CD2 4.3Å; Y453-L458 HydrophobicContact CD2-CD2 4.01Å; Y453-L458 HydrophobicContact CG-CD2 3.73Å; Y453-L458 HydrophobicContact CG-CG 4.37Å; K454-L458 PolarHBondContact O-N 3.41Å; L455-L458 PolarHBondContact O-N 3.18Å; L458-K460 PolarHBondContact O-N 2.86Å; L458-F462 HydrophobicContact CD2-CD2 3.89Å; L458-F462 HydrophobicContact CD2-CE2 4.02Å; L458-F462 PolarHBondContact O-N 2.66Å; L458-V468 HydrophobicContact CD1-CG1 4.09Å; L458-I490 HydrophobicContact CB-CD1 4.41Å; L458-I490 HydrophobicContact CD1-CD1 3.74Å
459G77.2Confident88.2Confident47 Ų4754.4 Ų54.449%0.48528%0.275SS..Hα-helixtrans-74.4-6.2179.500000114.8D457D457-G459 PolarHBondContact O-N 3.43Å
460K83.6Confident89Confident164 Ų16451.1 Ų51.171%0.71326%0.26SS*.Hα-helixtrans-98.7-38.5174.8-62.1177.3-174.6172.10111.5C456 D457 L458C456-K460 WeakPolarHBondContact O-CE 3.44Å; D457-K460 PolarHBondContact O-N 2.94Å; L458-K460 PolarHBondContact O-N 2.86Å
461E84.3Confident89.6Confident96 Ų9648.2 Ų48.245%0.44925%0.246SC..Hα-helixtrans-84.5-25.5-177-68.2-177.6-149.700112.4K451 Y453 D457K451-E461 IonicContact NZ-OE2 3.87Å; Y453-E461 VanDerWaalsContact CE1-OE2 3.28Å; Y453-E461 WeakPolarHBondContact CE1-OE2 3.34Å; D457-E461 PolarHBondContact O-N 3.11Å
462F86.4Confident89.8Confident39 Ų3945 Ų4517%0.17124%0.238CC..SBendtrans-136.1149.4-172.8-53-72.7000111.9E449 Y453 L458 L466E449-F462 WeakPolarHBondContact OE1-CE1 3.18Å; E449-F462 WeakPolarHBondContact OE1-CZ 3.15Å; Y453-F462 HydrophobicContact CD1-CE2 4.08Å; Y453-F462 AromaticContact CE1-CE2 3.66Å; Y453-F462 HydrophobicContact CE1-CE2 3.66Å; Y453-F462 AromaticContact CE1-CZ 3.9Å; Y453-F462 HydrophobicContact CE1-CZ 3.9Å; Y453-F462 AromaticContact CZ-CE2 3.93Å; Y453-F462 AromaticContact CZ-CZ 3.91Å; L458-F462 HydrophobicContact CD2-CD2 3.89Å; L458-F462 HydrophobicContact CD2-CE2 4.02Å; L458-F462 PolarHBondContact O-N 2.66Å; F462-L466 HydrophobicContact CB-CD1 3.44Å; F462-L466 VanDerWaalsContact CB-CD1 3.44Å; F462-L466 HydrophobicContact CB-CD2 4.01Å; F462-L466 HydrophobicContact CB-CG 4.31Å; F462-L466 HydrophobicContact CD2-CD1 4.46Å; F462-L466 HydrophobicContact CG-CD1 4.27Å
463S86Confident89.8Confident40 Ų4047.2 Ų47.228%0.2824%0.243SC..PPolyproline II helixtrans-75.3144171.646.70000111.3Q347 L466Q347-S463 WeakPolarHBondContact O-CB 3.18Å; Q347-S463 PolarHBondContact O-OG 3.23Å; S463-L466 WeakPolarHBondContact O-CD2 3.44Å; S463-L466 WeakPolarHBondContact O-CG 3.2Å
464L87.1Confident89.7Confident45 Ų4547 Ų4724%0.23624%0.242CC..SBendtrans-94.6146.1176.9-58.5-178.4000109.8Q347 L466 I490 A493Q347-L464 PolarHBondContact OE1-O 2.91Å; L464-L466 HydrophobicContact CD2-CB 4.39Å; L464-L466 HydrophobicContact CD2-CD1 3.6Å; L464-L466 HydrophobicContact CD2-CG 3.9Å; L464-I490 HydrophobicContact CD1-CG2 3.96Å; L464-I490 HydrophobicContact CD2-CB 4.08Å; L464-I490 HydrophobicContact CD2-CG2 3.51Å; L464-I490 HydrophobicContact CG-CG2 4.32Å; L464-A493 HydrophobicContact CD1-CB 4.13Å
465P88.9Confident89.5Confident36 Ų3647.9 Ų47.923%0.23426%0.256CS..SBendcis-85.7153.79.633.5-35.2000115.1R489 I490P465-R489 HydrophobicContact CB-CG 4.27Å; P465-I490 WeakPolarHBondContact CA-O 3.26Å; P465-I490 VanDerWaalsContact CB-O 3.23Å; P465-I490 WeakPolarHBondContact CB-O 3.49Å
466L90.1Very high89.2Confident4 Ų452.4 Ų52.42%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-133.2138.9-177.9-65.6167.3000112.6F462 S463 L464 V468 R489 I490F462-L466 HydrophobicContact CB-CD1 3.44Å; F462-L466 VanDerWaalsContact CB-CD1 3.44Å; F462-L466 HydrophobicContact CB-CD2 4.01Å; F462-L466 HydrophobicContact CB-CG 4.31Å; F462-L466 HydrophobicContact CD2-CD1 4.46Å; F462-L466 HydrophobicContact CG-CD1 4.27Å; S463-L466 WeakPolarHBondContact O-CD2 3.44Å; S463-L466 WeakPolarHBondContact O-CG 3.2Å; L464-L466 HydrophobicContact CD2-CB 4.39Å; L464-L466 HydrophobicContact CD2-CD1 3.6Å; L464-L466 HydrophobicContact CD2-CG 3.9Å; L466-V468 HydrophobicContact CB-CG1 4.44Å; L466-R489 CarbonylContact O-C 3.54Å; L466-R489 WeakPolarHBondContact O-CA 3.34Å; L466-I490 HydrophobicContact CB-CB 4.47Å; L466-I490 PolarHBondContact N-O 3.05Å; L466-I490 PolarHBondContact O-N 3.5Å
467D93Very high88.9Confident5 Ų552.4 Ų52.43%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-90.2131.9171.4-72.8-9.3000110.1R331 R333 L488 R489R331-D467 HydrophobicContact CB-CB 4.04Å; R331-D467 PolarHBondContact N-O 2.87Å; R333-D467 HydrophobicContact CG-CB 4.16Å; D467-L488 CarbonylContact C-O 3.47Å; D467-L488 WeakPolarHBondContact CA-O 3.42Å; D467-R489 WeakPolarHBondContact OD1-CB 3.44Å; D467-R489 WeakPolarHBondContact OD1-CG 3.4Å; D467-R489 IonicContact OD1-CZ 2.84Å; D467-R489 IonicContact OD1-NE 3.63Å; D467-R489 PolarHBondContact OD1-NE 3.38Å; D467-R489 IonicContact OD1-NH2 3.59Å; D467-R489 PolarHBondContact OD1-NH2 3.45Å; D467-R489 IonicContact OD2-CZ 2.77Å; D467-R489 IonicContact OD2-NE 3.36Å; D467-R489 IonicContact OD2-NH2 3.57Å; D467-R489 PolarHBondContact OD2-NH2 2.86Å
468V93.8Very high88.5Confident0 Ų059.1 Ų59.10%031%0.307CS..EExtended strand (participates in β ladder)trans-143159.2-172.6-61.60000112L306 F328 R329 L458 L466 C487 L488 I490L306-V468 HydrophobicContact CD2-CG2 4.17Å; F328-V468 HydrophobicContact CB-CB 4.45Å; F328-V468 HydrophobicContact CD1-CB 4.02Å; F328-V468 HydrophobicContact CD1-CG2 3.65Å; F328-V468 HydrophobicContact CE1-CG2 4.14Å; R329-V468 CarbonylContact O-C 3.55Å; R329-V468 VanDerWaalsContact O-CA 3.29Å; R329-V468 WeakPolarHBondContact O-CA 3.42Å; L458-V468 HydrophobicContact CD1-CG1 4.09Å; L466-V468 HydrophobicContact CB-CG1 4.44Å; V468-C487 CarbonylContact O-C 3.42Å; V468-C487 WeakPolarHBondContact O-CA 3.28Å; V468-L488 HydrophobicContact CG2-CB 4.2Å; V468-L488 WeakPolarHBondContact CG2-O 3.4Å; V468-L488 PolarHBondContact N-O 3.29Å; V468-L488 PolarHBondContact O-N 2.91Å; V468-I490 HydrophobicContact CG1-CD1 3.9Å; V468-I490 HydrophobicContact CG1-CG1 4.43Å; V468-I490 HydrophobicContact CG2-CD1 4.07Å; V468-I490 HydrophobicContact CG2-CG1 3.94Å
469K94.8Very high88.4Confident76 Ų7664.8 Ų64.833%0.3334%0.342SS..EExtended strand (participates in β ladder)trans-130.1136170.7178.7178.8178.6-179.50110F328 R329 R331 V471F328-K469 CarbonylContact C-O 3.56Å; F328-K469 WeakPolarHBondContact CA-O 3.44Å; R329-K469 PolarHBondContact N-O 2.83Å; R329-K469 PolarHBondContact O-N 3.38Å; R331-K469 HydrophobicContact CG-CB 3.93Å; K469-V471 PolarHBondContact O-N 2.88Å
470V94.9Very high89Confident6 Ų663.7 Ų63.74%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-72.7120.4169.6-177.60000109.3R327 F328 S472 L482 V483 L488R327-V470 WeakPolarHBondContact O-CA 3.47Å; F328-V470 HydrophobicContact CD1-CG2 3.85Å; F328-V470 HydrophobicContact CE1-CG2 3.4Å; F328-V470 VanDerWaalsContact CE1-CG2 3.4Å; F328-V470 HydrophobicContact CZ-CG2 3.91Å; V470-S472 WeakPolarHBondContact CG1-O 3.44Å; V470-L482 HydrophobicContact CG2-CB 3.66Å; V470-V483 HydrophobicContact CG1-CG2 3.73Å; V470-L488 HydrophobicContact CG2-CD1 4.31Å
471V93.4Very high89.3Confident49 Ų4958.5 Ų58.530%0.29731%0.308SS..EExtended strand (participates in β ladder)trans-108.2-18.9-179.4-65.60000112.9R327 R329 K452 K469R327-V471 HydrophobicContact CB-CG2 4.06Å; R327-V471 VanDerWaalsContact O-CG2 3.31Å; R327-V471 WeakPolarHBondContact O-CG2 3.3Å; R327-V471 PolarHBondContact O-N 2.9Å; R329-V471 HydrophobicContact CB-CG1 3.7Å; R329-V471 HydrophobicContact CB-CG2 4.44Å; K452-V471 HydrophobicContact CD-CG2 3.99Å; K452-V471 HydrophobicContact CG-CG2 4.05Å; K469-V471 PolarHBondContact O-N 2.88Å
472S93.8Very high89.7Confident44 Ų4453.9 Ų53.931%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-136.9127.4171.5-600000108.2G326 R327 V470G326-S472 CarbonylContact C-O 3.59Å; G326-S472 WeakPolarHBondContact CA-O 3.26Å; R327-S472 PolarHBondContact N-O 3.47Å; R327-S472 PolarHBondContact O-N 2.81Å; V470-S472 WeakPolarHBondContact CG1-O 3.44Å
473R93.1Very high89.8Confident157 Ų15755.2 Ų55.259%0.59230%0.298SS*.  trans-64.1155.7176.172.1177.8-179.6167.31.9111.7D480 V483R473-D480 WeakPolarHBondContact CA-OD2 3.48Å; R473-D480 HydrophobicContact CB-CB 4.14Å; R473-V483 HydrophobicContact CB-CG2 3.49Å; R473-V483 VanDerWaalsContact CB-CG2 3.49Å
474D91.7Very high89.8Confident1 Ų156.7 Ų56.71%0.00532%0.319CS..  trans-73.7123162.7-168.9-14.5000109.4Y324 G325 D476 L477 D480 K543Y324-D474 HydrophobicContact CD2-CB 3.77Å; Y324-D474 HydrophobicContact CE2-CB 3.4Å; Y324-D474 VanDerWaalsContact CE2-CB 3.4Å; G325-D474 VanDerWaalsContact N-CG 3.32Å; G325-D474 PolarHBondContact N-OD2 3.36Å; D474-D476 PolarHBondContact O-N 3.26Å; D474-D476 WeakPolarHBondContact OD1-CB 3.44Å; D474-D476 PolarHBondContact OD1-N 3.11Å; D474-L477 HydrophobicContact CB-CD1 4.03Å; D474-L477 HydrophobicContact CB-CG 4.06Å; D474-L477 PolarHBondContact O-N 2.76Å; D474-D480 PolarHBondContact N-OD2 2.93Å; D474-K543 IonicContact OD1-NZ 2.76Å; D474-K543 VanDerWaalsContact OD2-CD 3.31Å; D474-K543 WeakPolarHBondContact OD2-CD 3.42Å; D474-K543 IonicContact OD2-NZ 3.58Å; D474-K543 PolarHBondContact OD2-NZ 2.82Å
475T88.7Confident90Very high113 Ų11356.2 Ų56.269%0.69332%0.315SS*.THydrogen-bonded Turntrans-75.3-16-179.650.30000113.1L477T475-L477 VanDerWaalsContact C-N 3.27Å
476D85.6Confident90Very high99 Ų9959 Ų5953%0.52933%0.333SS..THydrogen-bonded Turntrans-80.2-11.6177.2-61.6-21000112.2D474 K543D474-D476 PolarHBondContact O-N 3.26Å; D474-D476 WeakPolarHBondContact OD1-CB 3.44Å; D474-D476 PolarHBondContact OD1-N 3.11Å; D476-K543 IonicContact OD2-NZ 3.58Å; D476-K543 PolarHBondContact OD2-NZ 3.31Å
477L83.9Confident90Very high31 Ų3159.6 Ų59.616%0.16234%0.338CS..  trans-98.8128176.8-58.7-179.9000110.1Y324 D474 T475 D480 V544Y324-L477 HydrophobicContact CD2-CD1 4.12Å; Y324-L477 HydrophobicContact CE2-CD1 3.82Å; D474-L477 HydrophobicContact CB-CD1 4.03Å; D474-L477 HydrophobicContact CB-CG 4.06Å; D474-L477 PolarHBondContact O-N 2.76Å; T475-L477 VanDerWaalsContact C-N 3.27Å; L477-D480 HydrophobicContact CB-CB 4.42Å; L477-D480 HydrophobicContact CD1-CB 4.38Å; L477-V544 HydrophobicContact CD1-CG2 3.95Å
478E80.8Confident90.1Very high189 Ų18959.3 Ų59.388%0.88334%0.336SS*.SBendtrans-61-48175.4-174.2177.6-17600110.9
479T85.3Confident90.1Very high119 Ų11962.8 Ų62.873%0.7335%0.349SS*.SBendtrans-125.4112.4171.255.20000109.1P481T479-P481 VanDerWaalsContact O-CD 3.29Å; T479-P481 WeakPolarHBondContact O-CD 3.43Å
480D89.8Confident90Very high24 Ų2459.3 Ų59.313%0.12833%0.334CS..  trans-85.5109.6177.9-172.9-22.2000110.3Y324 R473 D474 L477 L482 V483Y324-D480 VanDerWaalsContact OH-CG 3.28Å; Y324-D480 PolarHBondContact OH-OD1 3.43Å; Y324-D480 PolarHBondContact OH-OD2 2.82Å; R473-D480 WeakPolarHBondContact CA-OD2 3.48Å; R473-D480 HydrophobicContact CB-CB 4.14Å; D474-D480 PolarHBondContact N-OD2 2.93Å; L477-D480 HydrophobicContact CB-CB 4.42Å; L477-D480 HydrophobicContact CD1-CB 4.38Å; D480-L482 PolarHBondContact O-N 3.32Å; D480-L482 PolarHBondContact OD1-N 3.21Å; D480-V483 HydrophobicContact CB-CG2 3.77Å; D480-V483 VanDerWaalsContact CG-CG2 3.47Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.15Å
481P90Very high89.9Confident55 Ų5560 Ų6036%0.35734%0.337SS..THydrogen-bonded Turntrans-70.1-17.5-174.730.6-36.2000112.7F318 T479 F485 V544F318-P481 HydrophobicContact CE1-CB 4.26Å; T479-P481 VanDerWaalsContact O-CD 3.29Å; T479-P481 WeakPolarHBondContact O-CD 3.43Å; P481-F485 VanDerWaalsContact O-CE2 3.23Å; P481-F485 WeakPolarHBondContact O-CE2 3.07Å; P481-V544 HydrophobicContact CG-CB 4.06Å; P481-V544 HydrophobicContact CG-CG1 3.5Å
482L92.6Very high89.7Confident0 Ų058.1 Ų58.10%033%0.328CS..THydrogen-bonded Turntrans-85.5-21.4-173.1-55.1-179000113.4F318 V320 Y324 F328 V470 D480 G484 F485 L488 V544F318-L482 HydrophobicContact CB-CD2 4.03Å; F318-L482 HydrophobicContact CD1-CD2 4.13Å; F318-L482 HydrophobicContact CD2-CD2 3.88Å; F318-L482 HydrophobicContact CE2-CD2 4.4Å; F318-L482 HydrophobicContact CG-CD2 3.73Å; V320-L482 HydrophobicContact CG1-CD1 4.36Å; V320-L482 HydrophobicContact CG2-CD1 3.92Å; V320-L482 HydrophobicContact CG2-CD2 4.48Å; Y324-L482 HydrophobicContact CE1-CD1 4.17Å; Y324-L482 HydrophobicContact CE2-CD1 4.07Å; F328-L482 HydrophobicContact CZ-CD1 4.32Å; V470-L482 HydrophobicContact CG2-CB 3.66Å; D480-L482 PolarHBondContact O-N 3.32Å; D480-L482 PolarHBondContact OD1-N 3.21Å; L482-G484 PolarHBondContact O-N 2.91Å; L482-F485 PolarHBondContact O-N 2.84Å; L482-L488 HydrophobicContact CB-CD1 4.1Å; L482-L488 HydrophobicContact CD2-CD1 4.14Å; L482-V544 HydrophobicContact CD1-CG1 4.46Å; L482-V544 HydrophobicContact CD1-CG2 4.05Å; L482-V544 HydrophobicContact CD2-CG1 4.06Å; L482-V544 HydrophobicContact CG-CG1 4.19Å; L482-V544 HydrophobicContact CG-CG2 4.38Å
483V88.6Confident89.6Confident66 Ų6658.6 Ų58.640%0.433%0.334SS..THydrogen-bonded Turntrans-69.8-20-172.2176.70000113.1V470 R473 D480V470-V483 HydrophobicContact CG1-CG2 3.73Å; R473-V483 HydrophobicContact CB-CG2 3.49Å; R473-V483 VanDerWaalsContact CB-CG2 3.49Å; D480-V483 HydrophobicContact CB-CG2 3.77Å; D480-V483 VanDerWaalsContact CG-CG2 3.47Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.15Å
484G85.3Confident89.5Confident71 Ų7152 Ų5273%0.73231%0.31SS*.THydrogen-bonded Turntrans-81.4-10.5-178.800000115.2L482L482-G484 PolarHBondContact O-N 2.91Å
485F91.3Very high89.5Confident36 Ų3658 Ų5816%0.15834%0.342CS..  trans-89.2131.5-173.4-69-85.9000112Q316 F318 P481 L482 C487 L488Q316-F485 HydrophobicContact CB-CZ 4.45Å; Q316-F485 VanDerWaalsContact OE1-CZ 3.27Å; F318-F485 HydrophobicContact CE2-CD2 4.46Å; F318-F485 AromaticContact CE2-CE2 3.6Å; F318-F485 HydrophobicContact CE2-CE2 3.6Å; F318-F485 AromaticContact CE2-CZ 3.63Å; F318-F485 HydrophobicContact CE2-CZ 3.63Å; F318-F485 AromaticContact CZ-CE2 3.61Å; F318-F485 HydrophobicContact CZ-CE2 3.61Å; F318-F485 AromaticContact CZ-CZ 3.66Å; F318-F485 HydrophobicContact CZ-CZ 3.66Å; P481-F485 VanDerWaalsContact O-CE2 3.23Å; P481-F485 WeakPolarHBondContact O-CE2 3.07Å; L482-F485 PolarHBondContact O-N 2.84Å; F485-C487 PolarHBondContact O-N 2.9Å; F485-L488 HydrophobicContact CB-CD1 4.23Å; F485-L488 HydrophobicContact CB-CD2 3.69Å; F485-L488 HydrophobicContact CB-CG 3.69Å; F485-L488 HydrophobicContact CD1-CD2 4.02Å; F485-L488 HydrophobicContact CD2-CD1 4.48Å; F485-L488 HydrophobicContact CD2-CD2 3.86Å; F485-L488 HydrophobicContact CD2-CG 4.45Å; F485-L488 HydrophobicContact CE2-CD2 4.5Å; F485-L488 HydrophobicContact CG-CD2 3.58Å; F485-L488 HydrophobicContact CG-CG 4.13Å
486P88.8Confident89.6Confident94 Ų9453 Ų5361%0.6131%0.31SS*.SBendtrans-68.3-28.9177.427.6-34000112.5R331R331-P486 PolarHBondContact NE-O 3.04Å; R331-P486 PolarHBondContact NH2-O 3.29Å
487C91.4Very high89.9Confident16 Ų1650 Ų5011%0.10830%0.296CS..  trans-156.6139.9175.4-169.10000109.4L309 V468 F485L309-C487 HydrophobicContact CD1-CB 3.54Å; L309-C487 HydrophobicContact CG-CB 4.03Å; V468-C487 CarbonylContact O-C 3.42Å; V468-C487 WeakPolarHBondContact O-CA 3.28Å; F485-C487 PolarHBondContact O-N 2.9Å
488L94.4Very high90.4Very high0 Ų048.6 Ų48.60%029%0.289CS..EExtended strand (participates in β ladder)trans-125.6142.7172.3-69.3169.4000107.7L306 S307 D467 V468 V470 L482 F485L306-L488 HydrophobicContact CD2-CB 4.05Å; L306-L488 HydrophobicContact CD2-CD1 4.28Å; S307-L488 CarbonylContact O-C 3.47Å; S307-L488 WeakPolarHBondContact O-CA 3.37Å; D467-L488 CarbonylContact C-O 3.47Å; D467-L488 WeakPolarHBondContact CA-O 3.42Å; V468-L488 HydrophobicContact CG2-CB 4.2Å; V468-L488 WeakPolarHBondContact CG2-O 3.4Å; V468-L488 PolarHBondContact N-O 3.29Å; V468-L488 PolarHBondContact O-N 2.91Å; V470-L488 HydrophobicContact CG2-CD1 4.31Å; L482-L488 HydrophobicContact CB-CD1 4.1Å; L482-L488 HydrophobicContact CD2-CD1 4.14Å; F485-L488 HydrophobicContact CB-CD1 4.23Å; F485-L488 HydrophobicContact CB-CD2 3.69Å; F485-L488 HydrophobicContact CB-CG 3.69Å; F485-L488 HydrophobicContact CD1-CD2 4.02Å; F485-L488 HydrophobicContact CD2-CD1 4.48Å; F485-L488 HydrophobicContact CD2-CD2 3.86Å; F485-L488 HydrophobicContact CD2-CG 4.45Å; F485-L488 HydrophobicContact CE2-CD2 4.5Å; F485-L488 HydrophobicContact CG-CD2 3.58Å; F485-L488 HydrophobicContact CG-CG 4.13Å
489R93.3Very high91.1Very high73 Ų7339.6 Ų39.628%0.27525%0.247SC..EExtended strand (participates in β ladder)trans-101126.7173.1-179.6163.8-69.4-176.5-1.4109.5L306 S307 P465 L466 D467 E491L306-R489 CarbonylContact C-O 3.44Å; L306-R489 WeakPolarHBondContact CA-O 3.32Å; S307-R489 PolarHBondContact N-O 3.17Å; S307-R489 PolarHBondContact O-N 3.13Å; P465-R489 HydrophobicContact CB-CG 4.27Å; L466-R489 CarbonylContact O-C 3.54Å; L466-R489 WeakPolarHBondContact O-CA 3.34Å; D467-R489 WeakPolarHBondContact OD1-CB 3.44Å; D467-R489 WeakPolarHBondContact OD1-CG 3.4Å; D467-R489 IonicContact OD1-CZ 2.84Å; D467-R489 IonicContact OD1-NE 3.63Å; D467-R489 PolarHBondContact OD1-NE 3.38Å; D467-R489 IonicContact OD1-NH2 3.59Å; D467-R489 PolarHBondContact OD1-NH2 3.45Å; D467-R489 IonicContact OD2-CZ 2.77Å; D467-R489 IonicContact OD2-NE 3.36Å; D467-R489 IonicContact OD2-NH2 3.57Å; D467-R489 PolarHBondContact OD2-NH2 2.86Å; R489-E491 PolarHBondContact O-N 3.45Å
490I93.5Very high91.6Very high3 Ų334.5 Ų34.52%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-78.9112.5166.2-61.1173.2000107.1V304 L306 L455 L458 L464 P465 L466 V468V304-I490 HydrophobicContact CG1-CB 4.47Å; V304-I490 HydrophobicContact CG1-CG1 4.45Å; V304-I490 HydrophobicContact CG1-CG2 3.39Å; L306-I490 HydrophobicContact CD2-CG1 3.73Å; L306-I490 HydrophobicContact CG-CG1 4.16Å; L455-I490 HydrophobicContact CD1-CD1 4.16Å; L458-I490 HydrophobicContact CB-CD1 4.41Å; L458-I490 HydrophobicContact CD1-CD1 3.74Å; L464-I490 HydrophobicContact CD1-CG2 3.96Å; L464-I490 HydrophobicContact CD2-CB 4.08Å; L464-I490 HydrophobicContact CD2-CG2 3.51Å; L464-I490 HydrophobicContact CG-CG2 4.32Å; P465-I490 WeakPolarHBondContact CA-O 3.26Å; P465-I490 VanDerWaalsContact CB-O 3.23Å; P465-I490 WeakPolarHBondContact CB-O 3.49Å; L466-I490 HydrophobicContact CB-CB 4.47Å; L466-I490 PolarHBondContact N-O 3.05Å; L466-I490 PolarHBondContact O-N 3.5Å; V468-I490 HydrophobicContact CG1-CD1 3.9Å; V468-I490 HydrophobicContact CG1-CG1 4.43Å; V468-I490 HydrophobicContact CG2-CD1 4.07Å; V468-I490 HydrophobicContact CG2-CG1 3.94Å
491E91.9Very high91.8Very high21 Ų2133.4 Ų33.410%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-84.8-34.5-175.4-63.2-70.7166.800111.8L305 S307 R489 F552 R556L305-E491 HydrophobicContact CB-CB 4.32Å; L305-E491 HydrophobicContact CD2-CB 4.26Å; L305-E491 HydrophobicContact CG-CB 4.16Å; L305-E491 HydrophobicContact CG-CG 4.48Å; L305-E491 PolarHBondContact O-N 3.05Å; S307-E491 WeakPolarHBondContact CB-OE1 3.44Å; S307-E491 PolarHBondContact OG-OE1 3.45Å; R489-E491 PolarHBondContact O-N 3.45Å; E491-F552 HydrophobicContact CB-CE2 4.42Å; E491-F552 HydrophobicContact CG-CE2 3.84Å; E491-R556 IonicContact OE2-CZ 2.74Å; E491-R556 IonicContact OE2-NE 3.53Å; E491-R556 IonicContact OE2-NH2 3.92Å; E491-R556 PolarHBondContact OE2-NH2 3.06Å
492G90.7Very high92.1Very high9 Ų930.8 Ų30.89%0.09319%0.192CC..EExtended strand (participates in β ladder)trans177.2164.6-176.700000112.3V304 L305V304-G492 WeakPolarHBondContact CA-O 3.46Å; L305-G492 PolarHBondContact N-O 3.23Å
493A90.6Very high92.1Very high53 Ų5331.2 Ų31.244%0.43819%0.194SC..EExtended strand (participates in β ladder)trans-115.5149.1173.300000110M303 V304 L464M303-A493 WeakPolarHBondContact O-CA 3.41Å; V304-A493 HydrophobicContact CG2-CB 4.33Å; L464-A493 HydrophobicContact CD1-CB 4.13Å
494M90.6Very high92.2Very high20 Ų2030.9 Ų30.910%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-145.6154.8-178.162.3-172.890.300111.5M303 L305 L319 E496 F555M303-M494 HydrophobicContact CB-CG 3.96Å; M303-M494 PolarHBondContact N-O 3.32Å; M303-M494 PolarHBondContact O-N 2.83Å; L305-M494 HydrophobicContact CB-CE 3.92Å; L319-M494 HydrophobicContact CD1-CE 3.63Å; L319-M494 HydrophobicContact CD1-SD 3.88Å; M494-E496 HydrophobicContact CG-CG 3.8Å; M494-E496 HydrophobicContact SD-CG 3.76Å; M494-E496 VanDerWaalsContact SD-OE1 3.32Å; M494-F555 HydrophobicContact CB-CE2 4.38Å; M494-F555 HydrophobicContact CE-CD2 3.4Å; M494-F555 VanDerWaalsContact CE-CD2 3.4Å; M494-F555 HydrophobicContact CE-CE2 3.14Å; M494-F555 HydrophobicContact CE-CG 4.26Å; M494-F555 HydrophobicContact CE-CZ 3.81Å; M494-F555 HydrophobicContact SD-CD2 4.23Å; M494-F555 HydrophobicContact SD-CE2 4.07Å
495L91.9Very high92.5Very high127 Ų12731.9 Ų31.967%0.66518%0.181SC*.EExtended strand (participates in β ladder)trans-108.5106.6172.1-70.2176.3000108.3T300 P302T300-L495 HydrophobicContact CG2-CB 3.93Å; T300-L495 HydrophobicContact CG2-CD2 4.49Å; P302-L495 HydrophobicContact CB-CD2 3.8Å
496E90.7Very high92.4Very high7 Ų735.5 Ų35.53%0.03320%0.196CC..EExtended strand (participates in β ladder)trans-104.1124.2-173.9-73.3-66.4163.100111T300 T301 M303 M494 S498 L514 W517T300-E496 CarbonylContact C-O 3.51Å; T300-E496 WeakPolarHBondContact CA-O 3.49Å; T301-E496 PolarHBondContact N-O 2.99Å; T301-E496 PolarHBondContact O-N 3.06Å; M303-E496 HydrophobicContact CG-CB 4.45Å; M494-E496 HydrophobicContact CG-CG 3.8Å; M494-E496 HydrophobicContact SD-CG 3.76Å; M494-E496 VanDerWaalsContact SD-OE1 3.32Å; E496-S498 PolarHBondContact O-N 2.95Å; E496-L514 HydrophobicContact CB-CD2 4.13Å; E496-W517 PolarHBondContact OE1-NE1 3.3Å; E496-W517 PolarHBondContact OE2-NE1 3.26Å
497P93.5Very high92.4Very high35 Ų3532.1 Ų32.123%0.22718%0.175CC..EExtended strand (participates in β ladder)trans-55133.6162.2-20.432.5000109.1L256 P515L256-P497 HydrophobicContact CD1-CB 3.51Å; P497-P515 WeakPolarHBondContact O-CD 3.32Å
498S94Very high92.4Very high3 Ų334.6 Ų34.62%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-146.8143-168.9640000111.4K298 G299 T301 E496 L513K298-S498 WeakPolarHBondContact CA-O 3.43Å; G299-S498 PolarHBondContact N-O 3.21Å; G299-S498 PolarHBondContact O-N 3.5Å; G299-S498 PolarHBondContact O-OG 2.89Å; G299-S498 VanDerWaalsContact O-OG 3.04Å; T301-S498 PolarHBondContact OG1-OG 2.86Å; E496-S498 PolarHBondContact O-N 2.95Å; S498-L513 WeakPolarHBondContact CA-O 3.31Å
499I95.5Very high92.2Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-115.7120.1171.1-60157.5000106.7L252 V255 L256 L295 A501 L513 P515L252-I499 HydrophobicContact CB-CD1 4.13Å; L252-I499 HydrophobicContact CD2-CD1 3.97Å; V255-I499 HydrophobicContact CB-CD1 3.88Å; V255-I499 HydrophobicContact CG1-CD1 3.57Å; V255-I499 HydrophobicContact CG1-CG1 4.24Å; L256-I499 HydrophobicContact CD2-CD1 4.18Å; L256-I499 HydrophobicContact CD2-CG1 3.6Å; L256-I499 HydrophobicContact CG-CD1 4.2Å; L256-I499 HydrophobicContact CG-CG1 4.17Å; L295-I499 HydrophobicContact CB-CG2 4.22Å; L295-I499 HydrophobicContact CD2-CG2 4.01Å; L295-I499 HydrophobicContact CG-CG2 4.49Å; I499-A501 PolarHBondContact O-N 3.44Å; I499-L513 HydrophobicContact CB-CB 4.29Å; I499-L513 PolarHBondContact N-O 2.83Å; I499-L513 PolarHBondContact O-N 3.17Å; I499-P515 HydrophobicContact CD1-CG 4.14Å
500Q94.9Very high92.1Very high12 Ų1236.8 Ų36.86%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-77.7118.5173.5-177.4174.1-11.100108.6H296 K297 C510 T541H296-Q500 HydrophobicContact CB-CB 4.41Å; H296-Q500 HydrophobicContact CB-CG 4.27Å; H296-Q500 PolarHBondContact N-O 2.93Å; K297-Q500 HydrophobicContact CG-CB 4.02Å; K297-Q500 PolarHBondContact O-N 2.72Å; Q500-C510 HydrophobicContact CG-CB 3.78Å; Q500-C510 VanDerWaalsContact NE2-CB 3.3Å; Q500-C510 PolarHBondContact NE2-SG 2.83Å; Q500-T541 PolarHBondContact NE2-OG1 2.88Å
501A95.3Very high92.1Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-126.5157.6-177.300000111.7I294 L295 I499 C510 F511 L513I294-A501 CarbonylContact O-C 2.83Å; I294-A501 WeakPolarHBondContact O-CA 3.37Å; L295-A501 HydrophobicContact CD2-CB 3.91Å; I499-A501 PolarHBondContact O-N 3.44Å; A501-C510 CarbonylContact O-C 3.45Å; A501-C510 WeakPolarHBondContact O-CA 3.34Å; A501-F511 HydrophobicContact CB-CE2 4.06Å; A501-F511 HydrophobicContact CB-CZ 4.19Å; A501-F511 PolarHBondContact N-O 3.25Å; A501-F511 PolarHBondContact O-N 3.02Å; A501-L513 HydrophobicContact CB-CD1 3.73Å; A501-L513 HydrophobicContact CB-CG 3.97Å
502S94.9Very high92.1Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-143.8164.5170.365.50000109.7L293 I294 H296 P507 H509L293-S502 WeakPolarHBondContact CA-O 3.48Å; I294-S502 PolarHBondContact N-O 2.82Å; I294-S502 PolarHBondContact O-N 2.88Å; H296-S502 WeakPolarHBondContact NE2-CB 3.28Å; H296-S502 PolarHBondContact NE2-OG 3.45Å; S502-P507 PolarHBondContact OG-O 2.89Å; S502-H509 VanDerWaalsContact CB-O 3.29Å; S502-H509 WeakPolarHBondContact CB-O 3.11Å
503F93.7Very high92.2Very high10 Ų1036.6 Ų36.64%0.04420%0.197CC..EExtended strand (participates in β ladder)trans-84.1152169.6-62.3-79.6000110.9W283 R286 L287 T291 L293 D505 K506 F511W283-F503 HydrophobicContact CB-CE2 3.73Å; W283-F503 HydrophobicContact CB-CZ 4.13Å; R286-F503 HydrophobicContact CB-CE1 3.71Å; R286-F503 HydrophobicContact CB-CE2 4.1Å; R286-F503 HydrophobicContact CB-CZ 3.39Å; R286-F503 HydrophobicContact CG-CZ 4.4Å; L287-F503 HydrophobicContact CD2-CE1 4.01Å; L287-F503 HydrophobicContact CD2-CZ 3.98Å; T291-F503 HydrophobicContact CG2-CD1 4.11Å; T291-F503 HydrophobicContact CG2-CE1 4.26Å; L293-F503 HydrophobicContact CD2-CD1 3.55Å; L293-F503 HydrophobicContact CD2-CE1 3.51Å; L293-F503 HydrophobicContact CD2-CG 4.39Å; L293-F503 HydrophobicContact CD2-CZ 4.33Å; F503-D505 WeakPolarHBondContact CB-OD1 3.04Å; F503-D505 PolarHBondContact O-N 2.77Å; F503-K506 CarbonylContact O-C 3.51Å; F503-K506 PolarHBondContact O-N 3.12Å; F503-K506 VanDerWaalsContact O-N 3.08Å; F503-F511 AromaticContact CD2-CE1 3.8Å; F503-F511 HydrophobicContact CD2-CE1 3.8Å; F503-F511 HydrophobicContact CD2-CZ 4.37Å; F503-F511 HydrophobicContact CE2-CD1 4.48Å; F503-F511 AromaticContact CE2-CE1 3.5Å; F503-F511 HydrophobicContact CE2-CE1 3.5Å; F503-F511 AromaticContact CE2-CZ 3.83Å; F503-F511 HydrophobicContact CE2-CZ 3.83Å; F503-F511 HydrophobicContact CZ-CE1 4.09Å; F503-F511 AromaticContact CZ-CZ 3.93Å; F503-F511 HydrophobicContact CZ-CZ 3.93Å
504T90.6Very high92.2Very high59 Ų5934.2 Ų34.236%0.36218%0.177SC..THydrogen-bonded Turntrans-62.3-27.4-179.946.60000113.9V266 N292 I294V266-T504 HydrophobicContact CG1-CG2 4.48Å; N292-T504 HydrophobicContact CB-CG2 3.85Å; I294-T504 HydrophobicContact CD1-CG2 4.21Å; I294-T504 HydrophobicContact CG1-CG2 3.84Å
505D90.3Very high92.2Very high92 Ų9234.2 Ų34.249%0.49218%0.178SC..THydrogen-bonded Turntrans-76.6-22.2175.463.8-51.3000113.7R286 F503R286-D505 IonicContact CZ-OD1 3.92Å; R286-D505 IonicContact CZ-OD2 2.83Å; R286-D505 IonicContact NH1-OD1 3.89Å; R286-D505 IonicContact NH1-OD2 3.95Å; R286-D505 VanDerWaalsContact NH2-CG 3.27Å; R286-D505 IonicContact NH2-OD1 3.05Å; R286-D505 PolarHBondContact NH2-OD1 2.85Å; R286-D505 IonicContact NH2-OD2 2.62Å; R286-D505 PolarHBondContact NH2-OD2 3.28Å; F503-D505 WeakPolarHBondContact CB-OD1 3.04Å; F503-D505 PolarHBondContact O-N 2.77Å
506K89.7Confident92Very high111 Ų11132.9 Ų32.948%0.48317%0.168SC..EExtended strand (participates in β ladder)trans-140.169.6-178.2-69.6-169.8-179.1-174.10110.9F503 D508 H509F503-K506 CarbonylContact O-C 3.51Å; F503-K506 PolarHBondContact O-N 3.12Å; F503-K506 VanDerWaalsContact O-N 3.08Å; K506-D508 PolarHBondContact O-N 3.05Å; K506-H509 HydrophobicContact CB-CB 4.35Å; K506-H509 PolarHBondContact O-N 3.02Å; K506-H509 VanDerWaalsContact O-N 3.12Å
507P89.8Confident91.8Very high24 Ų2433.4 Ų33.416%0.15617%0.17CC..EExtended strand (participates in β ladder)trans-65.7-24.7-174.427.2-35.9000113.9I294 H296 S502 H509 P530 W531 P537I294-P507 HydrophobicContact CD1-CB 4.03Å; H296-P507 PolarHBondContact NE2-O 2.94Å; S502-P507 PolarHBondContact OG-O 2.89Å; P507-H509 VanDerWaalsContact C-N 3.33Å; P507-P530 HydrophobicContact CB-CG 4.42Å; P507-W531 HydrophobicContact CB-CE3 3.96Å; P507-W531 HydrophobicContact CB-CH2 4.46Å; P507-W531 HydrophobicContact CB-CZ3 3.44Å; P507-W531 VanDerWaalsContact CB-CZ3 3.44Å; P507-W531 HydrophobicContact CG-CE3 4.45Å; P507-W531 HydrophobicContact CG-CZ3 4.38Å; P507-P537 HydrophobicContact CB-CG 4.45Å
508D89.8Confident91.6Very high68 Ų6832.3 Ų32.336%0.36416%0.162SC..EExtended strand (participates in β ladder)trans-74.3-21.8177.4-59-58.1000112.8K506 P537 C539 F540K506-D508 PolarHBondContact O-N 3.05Å; D508-P537 WeakPolarHBondContact OD1-CB 3.28Å; D508-C539 CarbonylContact O-C 3.51Å; D508-C539 WeakPolarHBondContact O-CA 3.33Å; D508-F540 PolarHBondContact O-N 3.31Å
509H90.3Very high91.3Very high113 Ų11335.5 Ų35.552%0.52318%0.184SC..EExtended strand (participates in β ladder)trans-97.8100.6-178.5-70.9-77.5000110.4S502 K506 P507S502-H509 VanDerWaalsContact CB-O 3.29Å; S502-H509 WeakPolarHBondContact CB-O 3.11Å; K506-H509 HydrophobicContact CB-CB 4.35Å; K506-H509 PolarHBondContact O-N 3.02Å; K506-H509 VanDerWaalsContact O-N 3.12Å; P507-H509 VanDerWaalsContact C-N 3.33Å
510C92.4Very high90.9Very high5 Ų535.8 Ų35.83%0.03419%0.186CC..EExtended strand (participates in β ladder)trans-99.8151.8-176-680000112.6H296 Q500 A501 C539 F540 T541 E542H296-C510 VanDerWaalsContact CD2-SG 3.58Å; H296-C510 PolarHBondContact NE2-SG 2.75Å; Q500-C510 HydrophobicContact CG-CB 3.78Å; Q500-C510 VanDerWaalsContact NE2-CB 3.3Å; Q500-C510 PolarHBondContact NE2-SG 2.83Å; A501-C510 CarbonylContact O-C 3.45Å; A501-C510 WeakPolarHBondContact O-CA 3.34Å; C510-C539 VanDerWaalsContact SG-CB 3.59Å; C510-C539 VanDerWaalsContact SG-SG 3.63Å; C510-F540 PolarHBondContact N-O 2.84Å; C510-T541 HydrophobicContact CB-CG2 4.29Å; C510-T541 CarbonylContact O-C 3.54Å; C510-T541 WeakPolarHBondContact O-CA 3.33Å; C510-E542 PolarHBondContact O-N 3.01Å
511F92.3Very high90.5Very high7 Ų736 Ų363%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-138166.8171.453.9-87.2000109.7W283 L287 L293 A501 F503 L513W283-F511 HydrophobicContact CB-CD1 4.12Å; W283-F511 HydrophobicContact CB-CE1 4.13Å; W283-F511 HydrophobicContact CB-CG 4.36Å; W283-F511 HydrophobicContact CB-CZ 4.36Å; W283-F511 AromaticContact CD1-CG 3.8Å; W283-F511 HydrophobicContact CD2-CB 4.36Å; W283-F511 AromaticContact CD2-CD2 3.53Å; W283-F511 HydrophobicContact CD2-CD2 3.53Å; W283-F511 AromaticContact CD2-CE2 3.87Å; W283-F511 HydrophobicContact CD2-CE2 3.87Å; W283-F511 AromaticContact CD2-CG 3.9Å; W283-F511 HydrophobicContact CD2-CG 3.9Å; W283-F511 AromaticContact CE2-CD2 3.74Å; W283-F511 AromaticContact CE3-CD2 3.77Å; W283-F511 HydrophobicContact CE3-CD2 3.77Å; W283-F511 AromaticContact CE3-CE2 3.68Å; W283-F511 HydrophobicContact CE3-CE2 3.68Å; W283-F511 HydrophobicContact CE3-CZ 4.41Å; W283-F511 HydrophobicContact CG-CB 4.2Å; W283-F511 HydrophobicContact CG-CD1 4.04Å; W283-F511 AromaticContact CG-CD2 3.92Å; W283-F511 HydrophobicContact CG-CD2 3.92Å; W283-F511 HydrophobicContact CG-CE1 4.4Å; W283-F511 HydrophobicContact CG-CE2 4.27Å; W283-F511 AromaticContact CG-CG 3.79Å; W283-F511 HydrophobicContact CG-CG 3.79Å; W283-F511 HydrophobicContact CH2-CD2 4.42Å; W283-F511 HydrophobicContact CZ2-CD2 4.18Å; W283-F511 HydrophobicContact CZ3-CD2 4.22Å; W283-F511 HydrophobicContact CZ3-CE2 4.21Å; W283-F511 AromaticContact NE1-CG 3.92Å; L287-F511 HydrophobicContact CD2-CZ 4.38Å; L293-F511 HydrophobicContact CD2-CZ 4.39Å; A501-F511 HydrophobicContact CB-CE2 4.06Å; A501-F511 HydrophobicContact CB-CZ 4.19Å; A501-F511 PolarHBondContact N-O 3.25Å; A501-F511 PolarHBondContact O-N 3.02Å; F503-F511 AromaticContact CD2-CE1 3.8Å; F503-F511 HydrophobicContact CD2-CE1 3.8Å; F503-F511 HydrophobicContact CD2-CZ 4.37Å; F503-F511 HydrophobicContact CE2-CD1 4.48Å; F503-F511 AromaticContact CE2-CE1 3.5Å; F503-F511 HydrophobicContact CE2-CE1 3.5Å; F503-F511 AromaticContact CE2-CZ 3.83Å; F503-F511 HydrophobicContact CE2-CZ 3.83Å; F503-F511 HydrophobicContact CZ-CE1 4.09Å; F503-F511 AromaticContact CZ-CZ 3.93Å; F503-F511 HydrophobicContact CZ-CZ 3.93Å; F511-L513 HydrophobicContact CD2-CD2 4.21Å; F511-L513 HydrophobicContact CD2-CG 4.48Å; F511-L513 HydrophobicContact CE2-CD2 3.71Å; F511-L513 HydrophobicContact CE2-CG 4.15Å
512H92.5Very high90.3Very high23 Ų2336 Ų3611%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-101.4120.7178.6-71.3-74000110.9M303 L514 T541M303-H512 HydrophobicContact CE-CB 4.42Å; H512-L514 HydrophobicContact CB-CD2 4.07Å; H512-T541 VanDerWaalsContact NE2-CG2 3.26Å; H512-T541 WeakPolarHBondContact NE2-CG2 3.11Å
513L92.8Very high90Very high0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-82122.2162.5-59.3172.1000107.6L252 W283 L287 L293 L295 S498 I499 A501 F511 P515 L518 L520L252-L513 HydrophobicContact CD1-CB 4.18Å; L252-L513 HydrophobicContact CD2-CD1 4.22Å; W283-L513 HydrophobicContact CZ3-CD2 4.15Å; L287-L513 HydrophobicContact CD1-CD2 4Å; L293-L513 HydrophobicContact CD1-CD1 4.38Å; L295-L513 HydrophobicContact CD2-CD1 4.2Å; S498-L513 WeakPolarHBondContact CA-O 3.31Å; I499-L513 HydrophobicContact CB-CB 4.29Å; I499-L513 PolarHBondContact N-O 2.83Å; I499-L513 PolarHBondContact O-N 3.17Å; A501-L513 HydrophobicContact CB-CD1 3.73Å; A501-L513 HydrophobicContact CB-CG 3.97Å; F511-L513 HydrophobicContact CD2-CD2 4.21Å; F511-L513 HydrophobicContact CD2-CG 4.48Å; F511-L513 HydrophobicContact CE2-CD2 3.71Å; F511-L513 HydrophobicContact CE2-CG 4.15Å; L513-P515 WeakPolarHBondContact O-CD 3.27Å; L513-L518 HydrophobicContact CB-CD2 4.34Å; L513-L518 HydrophobicContact CD2-CD2 3.47Å; L513-L518 VanDerWaalsContact CD2-CD2 3.47Å; L513-L520 HydrophobicContact CD1-CD2 4.4Å
514L91.8Very high89.8Confident3 Ų338.4 Ų38.42%0.01620%0.2CC..  trans-106.4102.5-178.8-57.8-175.7000109.9F279 M303 L319 E496 H512 Q516 W517 L518F279-L514 HydrophobicContact CE1-CD1 4.05Å; F279-L514 HydrophobicContact CZ-CB 4.21Å; F279-L514 HydrophobicContact CZ-CD1 4.08Å; F279-L514 HydrophobicContact CZ-CG 4.37Å; M303-L514 HydrophobicContact CE-CD2 4.45Å; L319-L514 HydrophobicContact CD2-CD1 3.5Å; L319-L514 VanDerWaalsContact CD2-CD1 3.5Å; E496-L514 HydrophobicContact CB-CD2 4.13Å; H512-L514 HydrophobicContact CB-CD2 4.07Å; L514-Q516 PolarHBondContact O-N 2.91Å; L514-Q516 VanDerWaalsContact O-N 3.12Å; L514-W517 HydrophobicContact CB-CB 4.45Å; L514-W517 CarbonylContact O-C 3.55Å; L514-W517 PolarHBondContact O-N 2.85Å; L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.46Å
515P90.1Very high89.6Confident19 Ų1937 Ų3712%0.12319%0.192CC..THydrogen-bonded Turntrans-64.6-21.9-169.4-27.541.5000114.4L252 L256 P497 I499 L513 W517L252-P515 HydrophobicContact CB-CB 3.65Å; L252-P515 HydrophobicContact CB-CG 3.7Å; L252-P515 HydrophobicContact CD1-CB 4.46Å; L252-P515 HydrophobicContact CD1-CG 4.33Å; L256-P515 HydrophobicContact CD1-CB 4.24Å; L256-P515 HydrophobicContact CD1-CG 3.71Å; L256-P515 HydrophobicContact CG-CG 4.14Å; P497-P515 WeakPolarHBondContact O-CD 3.32Å; I499-P515 HydrophobicContact CD1-CG 4.14Å; L513-P515 WeakPolarHBondContact O-CD 3.27Å; P515-W517 VanDerWaalsContact C-N 3.27Å; P515-W517 PolarHBondContact O-N 3.2Å
516Q86.9Confident89.3Confident100 Ų10041.2 Ų41.247%0.46721%0.206SC..THydrogen-bonded Turntrans-71.5-22.9174.7-63.7-164.418.500113.5L514L514-Q516 PolarHBondContact O-N 2.91Å; L514-Q516 VanDerWaalsContact O-N 3.12Å
517W87.3Confident89.1Confident17 Ų1740.4 Ų40.46%0.06421%0.206CC..THydrogen-bonded Turntrans-123.2-3.9-170.1-53.3105.8000112.2F278 F279 E496 L514 P515 F551 E554 F555 K558F278-W517 WeakPolarHBondContact CD2-O 3.44Å; F279-W517 HydrophobicContact CE2-CB 3.87Å; F279-W517 HydrophobicContact CZ-CB 3.78Å; E496-W517 PolarHBondContact OE1-NE1 3.3Å; E496-W517 PolarHBondContact OE2-NE1 3.26Å; L514-W517 HydrophobicContact CB-CB 4.45Å; L514-W517 CarbonylContact O-C 3.55Å; L514-W517 PolarHBondContact O-N 2.85Å; P515-W517 VanDerWaalsContact C-N 3.27Å; P515-W517 PolarHBondContact O-N 3.2Å; W517-F551 HydrophobicContact CB-CE2 4.3Å; W517-F551 AromaticContact CD2-CD2 3.94Å; W517-F551 HydrophobicContact CD2-CD2 3.94Å; W517-F551 AromaticContact CD2-CE2 3.39Å; W517-F551 HydrophobicContact CD2-CE2 3.39Å; W517-F551 HydrophobicContact CD2-CZ 4.31Å; W517-F551 AromaticContact CE2-CE2 3.61Å; W517-F551 AromaticContact CE3-CD2 3.81Å; W517-F551 HydrophobicContact CE3-CD2 3.81Å; W517-F551 AromaticContact CE3-CE2 3.72Å; W517-F551 HydrophobicContact CE3-CE2 3.72Å; W517-F551 HydrophobicContact CG-CD2 4.31Å; W517-F551 AromaticContact CG-CE2 3.66Å; W517-F551 HydrophobicContact CG-CE2 3.66Å; W517-F551 HydrophobicContact CH2-CE2 4.34Å; W517-F551 HydrophobicContact CZ2-CE2 4.09Å; W517-F551 HydrophobicContact CZ2-CZ 4.27Å; W517-F551 HydrophobicContact CZ3-CD2 4.23Å; W517-F551 HydrophobicContact CZ3-CE2 4.18Å; W517-F551 AromaticContact NE1-CE2 3.99Å; W517-E554 HydrophobicContact CZ3-CB 3.97Å; W517-F555 HydrophobicContact CH2-CB 4.43Å; W517-K558 HydrophobicContact CH2-CD 3.92Å; W517-K558 HydrophobicContact CZ2-CD 4.24Å
518L88.4Confident88.9Confident12 Ų1243.6 Ų43.66%0.06324%0.235CC..  trans-137.2119.7-178.7-174.470.2000109.1L252 P273 F279 W283 L284 L287 L513 L514L252-L518 HydrophobicContact CD1-CB 4.35Å; L252-L518 HydrophobicContact CD1-CD2 4.17Å; L252-L518 HydrophobicContact CD1-CG 4.33Å; L252-L518 WeakPolarHBondContact CD1-O 3.4Å; P273-L518 HydrophobicContact CB-CD1 3.8Å; P273-L518 HydrophobicContact CG-CD1 4.01Å; F279-L518 HydrophobicContact CE2-CB 4.33Å; W283-L518 HydrophobicContact CH2-CD2 4.49Å; W283-L518 HydrophobicContact CZ3-CD2 4.4Å; L284-L518 HydrophobicContact CD1-CD1 3.89Å; L287-L518 HydrophobicContact CD1-CD2 4.21Å; L513-L518 HydrophobicContact CB-CD2 4.34Å; L513-L518 HydrophobicContact CD2-CD2 3.47Å; L513-L518 VanDerWaalsContact CD2-CD2 3.47Å; L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.46Å
519S87.3Confident88.8Confident70 Ų7042.8 Ų42.849%0.4923%0.23SC..  trans-89.7123.7168.1-169.40000108.4P273P273-S519 VanDerWaalsContact CA-O 3.31Å; P273-S519 WeakPolarHBondContact CA-O 3.47Å
520L87.4Confident88.6Confident6 Ų641 Ų413%0.03123%0.229CC..  trans-151.6136.9176.9-171.577000108.6L252 I269 E271 P273 L287 L293 L513 V522L252-L520 HydrophobicContact CD1-CB 3.96Å; L252-L520 HydrophobicContact CD2-CB 4.12Å; L252-L520 HydrophobicContact CD2-CD2 4.21Å; L252-L520 HydrophobicContact CG-CB 3.9Å; L252-L520 PolarHBondContact N-O 3.18Å; I269-L520 HydrophobicContact CD1-CD1 4.5Å; I269-L520 HydrophobicContact CG1-CD2 4.49Å; I269-L520 HydrophobicContact CG2-CD1 3.84Å; E271-L520 WeakPolarHBondContact O-CD1 3.37Å; P273-L520 HydrophobicContact CG-CD1 3.97Å; L287-L520 HydrophobicContact CD1-CD2 4.49Å; L293-L520 HydrophobicContact CD1-CD2 4.23Å; L513-L520 HydrophobicContact CD1-CD2 4.4Å; L520-V522 HydrophobicContact CD2-CG1 3.76Å; L520-V522 HydrophobicContact CG-CG1 4.03Å
521S86.9Confident88.1Confident16 Ų1642.2 Ų42.211%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-110.2128.2173.9-172.80000110L270 E271L270-S521 PolarHBondContact N-O 3.23Å; E271-S521 PolarHBondContact N-O 3.31Å
522V90.3Very high87.5Confident0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-132.3157.4-177.6-58.50000111.4L250 V255 A267 E268 I269 L520L250-V522 PolarHBondContact N-O 3.48Å; L250-V522 PolarHBondContact O-N 2.8Å; V255-V522 HydrophobicContact CG2-CG2 3.68Å; A267-V522 HydrophobicContact CB-CB 4.17Å; A267-V522 HydrophobicContact CB-CG2 4.31Å; E268-V522 CarbonylContact O-C 3.59Å; E268-V522 WeakPolarHBondContact O-CA 3.11Å; I269-V522 HydrophobicContact CG1-CG1 4.43Å; L520-V522 HydrophobicContact CD2-CG1 3.76Å; L520-V522 HydrophobicContact CG-CG1 4.03Å
523S88.8Confident86.4Confident5 Ų555.8 Ų55.84%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-119.6143165.363.30000110.9V247 A267 E268 T525V247-S523 WeakPolarHBondContact CG1-OG 3.41Å; A267-S523 CarbonylContact C-O 3.57Å; A267-S523 WeakPolarHBondContact CA-O 3.5Å; A267-S523 WeakPolarHBondContact CB-O 3.5Å; E268-S523 PolarHBondContact N-O 2.79Å; E268-S523 PolarHBondContact O-N 2.79Å; S523-T525 PolarHBondContact O-N 3.01Å
524F90.6Very high85.3Confident56 Ų5662.4 Ų62.425%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-74.4127.6171.4-70.54.2000109.3L250 V255 Q258 F263 V265 A267 L295L250-F524 HydrophobicContact CD1-CD1 3.98Å; L250-F524 HydrophobicContact CD1-CD2 4.38Å; L250-F524 HydrophobicContact CD1-CE1 3.89Å; L250-F524 HydrophobicContact CD1-CE2 4.31Å; L250-F524 HydrophobicContact CD1-CG 4.23Å; L250-F524 HydrophobicContact CD1-CZ 4.07Å; V255-F524 HydrophobicContact CG1-CE1 4.33Å; V255-F524 HydrophobicContact CG1-CZ 4.25Å; V255-F524 HydrophobicContact CG2-CE1 4.14Å; Q258-F524 HydrophobicContact CB-CE2 4.3Å; Q258-F524 HydrophobicContact CB-CZ 4.4Å; Q258-F524 HydrophobicContact CG-CE2 3.81Å; Q258-F524 HydrophobicContact CG-CZ 3.85Å; F263-F524 HydrophobicContact CE1-CZ 4.5Å; F263-F524 HydrophobicContact CZ-CZ 4.35Å; V265-F524 HydrophobicContact CG1-CD1 4.01Å; V265-F524 HydrophobicContact CG1-CD2 4.14Å; V265-F524 HydrophobicContact CG1-CE1 3.87Å; V265-F524 HydrophobicContact CG1-CE2 3.99Å; V265-F524 HydrophobicContact CG1-CG 4.16Å; V265-F524 HydrophobicContact CG1-CZ 3.85Å; V265-F524 HydrophobicContact CG2-CB 3.94Å; V265-F524 HydrophobicContact CG2-CD1 4.34Å; V265-F524 HydrophobicContact CG2-CD2 4.09Å; V265-F524 HydrophobicContact CG2-CG 3.88Å; A267-F524 HydrophobicContact CB-CD1 4.12Å; L295-F524 HydrophobicContact CD1-CE1 3.76Å; L295-F524 HydrophobicContact CD1-CZ 4.49Å
525T86.3Confident84.6Confident31 Ų3168.6 Ų68.619%0.1936%0.357CS..  trans-94.3164.8179.870.60000110.5V266 E268 S523 D527V266-T525 VanDerWaalsContact CB-OG1 3.31Å; V266-T525 WeakPolarHBondContact CB-OG1 3.35Å; V266-T525 WeakPolarHBondContact CG1-OG1 3.38Å; V266-T525 WeakPolarHBondContact O-CB 3.44Å; V266-T525 PolarHBondContact O-N 2.83Å; V266-T525 PolarHBondContact O-OG1 3.06Å; E268-T525 HydrophobicContact CB-CG2 3.9Å; S523-T525 PolarHBondContact O-N 3.01Å; T525-D527 VanDerWaalsContact C-N 3.25Å; T525-D527 PolarHBondContact OG1-N 3.01Å
526K83.7Confident84Confident180 Ų18074.1 Ų74.178%0.78338%0.379SS*.  trans-907.7170.8-66178.2177.6174.30112N245N245-K526 PolarHBondContact OD1-NZ 3.36Å
527D85.3Confident83.7Confident93 Ų9370.4 Ų70.450%0.49736%0.364SS..PPolyproline II helixtrans-66.9143.2-176.5-66.9-13.6000110.3V266 T525V266-D527 HydrophobicContact CB-CB 4.24Å; V266-D527 HydrophobicContact CG1-CB 4.19Å; V266-D527 HydrophobicContact CG2-CB 4.46Å; T525-D527 VanDerWaalsContact C-N 3.25Å; T525-D527 PolarHBondContact OG1-N 3.01Å
528A85.3Confident83.5Confident92 Ų9277.2 Ų77.276%0.7639%0.394SS*.PPolyproline II helixtrans-69.5144.8174.500000110.1
529L88.6Confident83.2Confident51 Ų5178.9 Ų78.927%0.26741%0.406SS..PPolyproline II helixtrans-60.9148.6170-65.1163.1000109.8P264 V266 I294 W531P264-L529 HydrophobicContact CB-CD1 4.33Å; P264-L529 HydrophobicContact CB-CD2 4.19Å; P264-L529 HydrophobicContact CG-CD1 3.69Å; P264-L529 HydrophobicContact CG-CD2 4.44Å; V266-L529 HydrophobicContact CG2-CD2 4.07Å; I294-L529 HydrophobicContact CG2-CD2 3.89Å; L529-W531 HydrophobicContact CB-CD2 4.32Å; L529-W531 HydrophobicContact CB-CZ2 4.48Å; L529-W531 HydrophobicContact CD1-CZ2 4.32Å; L529-W531 HydrophobicContact CD2-CH2 4.27Å; L529-W531 HydrophobicContact CD2-CZ2 4.12Å; L529-W531 PolarHBondContact O-N 3.28Å; L529-W531 VanDerWaalsContact O-N 3.08Å
530P85.2Confident83.1Confident75 Ų7580.4 Ų80.449%0.48740%0.404SS..SBendtrans-70.5-4.2-177.622-25.4000114I294 P507I294-P530 HydrophobicContact CD1-CG 3.48Å; I294-P530 VanDerWaalsContact CD1-CG 3.48Å; P507-P530 HydrophobicContact CB-CG 4.42Å
531W83.4Confident83Confident31 Ų3181.6 Ų81.612%0.11741%0.412CS..SBendtrans-119153175.357.389.2000112P264 I294 H296 P507 L529 F536 P537P264-W531 HydrophobicContact CB-CZ2 4.39Å; P264-W531 HydrophobicContact CG-CZ2 4.31Å; I294-W531 HydrophobicContact CD1-CH2 4Å; I294-W531 HydrophobicContact CD1-CZ3 3.57Å; I294-W531 HydrophobicContact CG2-CH2 3.77Å; I294-W531 HydrophobicContact CG2-CZ3 4.45Å; H296-W531 AromaticContact CE1-CH2 3.46Å; H296-W531 VanDerWaalsContact CE1-CH2 3.46Å; H296-W531 WeakPolarHBondContact CE1-CH2 3.25Å; H296-W531 AromaticContact ND1-CH2 3.89Å; P507-W531 HydrophobicContact CB-CE3 3.96Å; P507-W531 HydrophobicContact CB-CH2 4.46Å; P507-W531 HydrophobicContact CB-CZ3 3.44Å; P507-W531 VanDerWaalsContact CB-CZ3 3.44Å; P507-W531 HydrophobicContact CG-CE3 4.45Å; P507-W531 HydrophobicContact CG-CZ3 4.38Å; L529-W531 HydrophobicContact CB-CD2 4.32Å; L529-W531 HydrophobicContact CB-CZ2 4.48Å; L529-W531 HydrophobicContact CD1-CZ2 4.32Å; L529-W531 HydrophobicContact CD2-CH2 4.27Å; L529-W531 HydrophobicContact CD2-CZ2 4.12Å; L529-W531 PolarHBondContact O-N 3.28Å; L529-W531 VanDerWaalsContact O-N 3.08Å; W531-F536 AromaticContact NE1-CD1 3.99Å; W531-P537 VanDerWaalsContact CD2-CD 3.45Å; W531-P537 HydrophobicContact CD2-CG 3.98Å; W531-P537 HydrophobicContact CE3-CG 3.79Å; W531-P537 HydrophobicContact CH2-CG 3.73Å; W531-P537 HydrophobicContact CZ2-CG 3.93Å; W531-P537 HydrophobicContact CZ3-CG 3.69Å
532P78.9Confident83Confident78 Ų7883.9 Ų83.951%0.50642%0.42SS..  trans-61156.5174.7-20.532.2000112.7D534 Q535P532-D534 PolarHBondContact O-N 2.77Å; P532-Q535 PolarHBondContact O-N 3.36Å
533R68.3Low83Confident236 Ų23685.1 Ų85.189%0.89143%0.426SS*.THydrogen-bonded Turntrans-53.8136.1172-65.3-176.4-157.4-173.35.3109.6Q535R533-Q535 VanDerWaalsContact C-N 3.27Å; R533-Q535 PolarHBondContact O-N 2.84Å
534D70.8Confident83.1Confident139 Ų13985.4 Ų85.474%0.74343%0.428SS*.THydrogen-bonded Turntrans71.44.3178.4-45.5-48.1000116.7P532P532-D534 PolarHBondContact O-N 2.77Å
535Q77.1Confident83.1Confident134 Ų13483.7 Ų83.763%0.62642%0.423SS*.  trans-10969.8172.1-67.2-174.617.900111.1P532 R533P532-Q535 PolarHBondContact O-N 3.36Å; R533-Q535 VanDerWaalsContact C-N 3.27Å; R533-Q535 PolarHBondContact O-N 2.84Å
536F76.6Confident83.4Confident134 Ų13484.9 Ų84.959%0.58843%0.426SS*.  trans-69.1134.9-177.6-62.4-86.3000111.8P264 W531P264-F536 HydrophobicContact CG-CE1 4.22Å; W531-F536 AromaticContact NE1-CD1 3.99Å
537P81.3Confident83.8Confident23 Ų2376.3 Ų76.315%0.14939%0.388CS..  trans-61.1143.317423.4-32000110.6P507 D508 W531 C539P507-P537 HydrophobicContact CB-CG 4.45Å; D508-P537 WeakPolarHBondContact OD1-CB 3.28Å; W531-P537 VanDerWaalsContact CD2-CD 3.45Å; W531-P537 HydrophobicContact CD2-CG 3.98Å; W531-P537 HydrophobicContact CE3-CG 3.79Å; W531-P537 HydrophobicContact CH2-CG 3.73Å; W531-P537 HydrophobicContact CZ2-CG 3.93Å; W531-P537 HydrophobicContact CZ3-CG 3.69Å; P537-C539 VanDerWaalsContact C-N 3.34Å; P537-C539 PolarHBondContact O-N 2.64Å; P537-C539 PolarHBondContact O-SG 2.78Å
538K82.6Confident84Confident160 Ų16072.8 Ų72.870%0.69637%0.37SS*.  trans-76.793.9172.1-172.1179.8178.2-176.80107.8F540K538-F540 HydrophobicContact CD-CZ 4.41Å; K538-F540 VanDerWaalsContact O-CD2 3.28Å; K538-F540 WeakPolarHBondContact O-CD2 3.16Å; K538-F540 PolarHBondContact O-N 3.4Å
539C82.4Confident84.2Confident46 Ų4672.1 Ų72.131%0.31135%0.354SS..  trans-68.6118.1-175.7-63.90000111.7D508 C510 P537D508-C539 CarbonylContact O-C 3.51Å; D508-C539 WeakPolarHBondContact O-CA 3.33Å; C510-C539 VanDerWaalsContact SG-CB 3.59Å; C510-C539 VanDerWaalsContact SG-SG 3.63Å; P537-C539 VanDerWaalsContact C-N 3.34Å; P537-C539 PolarHBondContact O-N 2.64Å; P537-C539 PolarHBondContact O-SG 2.78Å
540F84.7Confident84.2Confident102 Ų10273.4 Ų73.445%0.44736%0.364SS..EExtended strand (participates in β ladder)trans-92.5108.7165.3-64.8-85.1000108.7D508 C510 K538D508-F540 PolarHBondContact O-N 3.31Å; C510-F540 PolarHBondContact N-O 2.84Å; K538-F540 HydrophobicContact CD-CZ 4.41Å; K538-F540 VanDerWaalsContact O-CD2 3.28Å; K538-F540 WeakPolarHBondContact O-CD2 3.16Å; K538-F540 PolarHBondContact O-N 3.4Å
541T85.2Confident84.5Confident31 Ų3169.8 Ų69.819%0.1934%0.341CS..EExtended strand (participates in β ladder)trans-93.7130.4-178.7-48.50000110.9Q500 C510 H512 K543Q500-T541 PolarHBondContact NE2-OG1 2.88Å; C510-T541 HydrophobicContact CB-CG2 4.29Å; C510-T541 CarbonylContact O-C 3.54Å; C510-T541 WeakPolarHBondContact O-CA 3.33Å; H512-T541 VanDerWaalsContact NE2-CG2 3.26Å; H512-T541 WeakPolarHBondContact NE2-CG2 3.11Å; T541-K543 VanDerWaalsContact O-CG 3.31Å; T541-K543 WeakPolarHBondContact O-CG 3.42Å; T541-K543 PolarHBondContact O-N 3.09Å
542E86.9Confident84.7Confident64 Ų6469.4 Ų69.430%0.29934%0.34SS..  trans-57118.5170.9-173.5176.7-154.800109.9W283 C510 V544W283-E542 PolarHBondContact NE1-OE2 2.95Å; C510-E542 PolarHBondContact O-N 3.01Å; E542-V544 WeakPolarHBondContact CG-O 3.44Å
543K90.4Very high85.2Confident27 Ų2772.2 Ų72.212%0.11734%0.341CS..  trans-99-15.3-175.5-54.8-176.3-165.9169.70113.4V320 S321 Q323 D474 D476 T541V320-K543 CarbonylContact C-O 3.6Å; V320-K543 WeakPolarHBondContact CA-O 3.46Å; S321-K543 PolarHBondContact N-O 3.42Å; Q323-K543 PolarHBondContact O-NZ 3.28Å; D474-K543 IonicContact OD1-NZ 2.76Å; D474-K543 VanDerWaalsContact OD2-CD 3.31Å; D474-K543 WeakPolarHBondContact OD2-CD 3.42Å; D474-K543 IonicContact OD2-NZ 3.58Å; D474-K543 PolarHBondContact OD2-NZ 2.82Å; D476-K543 IonicContact OD2-NZ 3.58Å; D476-K543 PolarHBondContact OD2-NZ 3.31Å; T541-K543 VanDerWaalsContact O-CG 3.31Å; T541-K543 WeakPolarHBondContact O-CG 3.42Å; T541-K543 PolarHBondContact O-N 3.09Å
544V92.2Very high86.1Confident11 Ų1164.4 Ų64.47%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-133.3122.1-176.6-177.80000108.4F318 V320 Y324 L477 P481 L482 E542F318-V544 HydrophobicContact CB-CG1 4.32Å; F318-V544 HydrophobicContact CD1-CG1 4.05Å; V320-V544 HydrophobicContact CG1-CG2 4.04Å; V320-V544 HydrophobicContact CG2-CB 4.48Å; V320-V544 HydrophobicContact CG2-CG1 4.01Å; V320-V544 HydrophobicContact CG2-CG2 4.17Å; Y324-V544 HydrophobicContact CD2-CG2 3.76Å; Y324-V544 HydrophobicContact CE2-CG2 3.98Å; L477-V544 HydrophobicContact CD1-CG2 3.95Å; P481-V544 HydrophobicContact CG-CB 4.06Å; P481-V544 HydrophobicContact CG-CG1 3.5Å; L482-V544 HydrophobicContact CD1-CG1 4.46Å; L482-V544 HydrophobicContact CD1-CG2 4.05Å; L482-V544 HydrophobicContact CD2-CG1 4.06Å; L482-V544 HydrophobicContact CG-CG1 4.19Å; L482-V544 HydrophobicContact CG-CG2 4.38Å; E542-V544 WeakPolarHBondContact CG-O 3.44Å
545S90.8Very high86.9Confident20 Ų2059.4 Ų59.414%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-124.6126.1179.6-61.50000109.6F318 L319 M547F318-S545 CarbonylContact C-O 3.56Å; F318-S545 WeakPolarHBondContact CA-O 3.45Å; L319-S545 PolarHBondContact N-O 2.88Å; L319-S545 PolarHBondContact O-N 3.35Å; S545-M547 VanDerWaalsContact CB-CE 3.45Å
546E91.6Very high87.2Confident55 Ų5558 Ų5826%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-74136.2173.7-166.9-174.6161.800110.2K280 Q316 Y317 F318K280-E546 HydrophobicContact CB-CB 4.15Å; K280-E546 HydrophobicContact CB-CG 4.36Å; K280-E546 HydrophobicContact CD-CG 3.95Å; K280-E546 WeakPolarHBondContact CD-OE1 3.23Å; K280-E546 PolarHBondContact N-O 3.24Å; K280-E546 IonicContact NZ-OE1 3.55Å; K280-E546 PolarHBondContact NZ-OE1 2.88Å; Q316-E546 PolarHBondContact NE2-OE1 2.83Å; Y317-E546 CarbonylContact O-C 3.52Å; Y317-E546 WeakPolarHBondContact O-CA 3.49Å; Y317-E546 WeakPolarHBondContact O-CG 3.39Å; F318-E546 HydrophobicContact CD1-CB 4.15Å; F318-E546 HydrophobicContact CD1-CG 4.26Å; F318-E546 HydrophobicContact CE1-CB 4.08Å; F318-E546 HydrophobicContact CE1-CG 3.95Å
547M91.7Very high87.5Confident0 Ų058 Ų580%028%0.275CS..EExtended strand (participates in β ladder)trans-111.1161-178.1-60-55.3163.800111.7F279 K280 Y317 L319 S545 F551F279-M547 HydrophobicContact CB-SD 4.49Å; F279-M547 HydrophobicContact CD1-CE 3.45Å; F279-M547 VanDerWaalsContact CD1-CE 3.45Å; F279-M547 HydrophobicContact CD1-SD 3.5Å; F279-M547 WeakPolarHBondContact CD1-SD 3.44Å; F279-M547 HydrophobicContact CE1-CE 3.52Å; F279-M547 HydrophobicContact CE1-SD 3.85Å; F279-M547 HydrophobicContact CG-SD 4.12Å; K280-M547 PolarHBondContact NZ-O 2.99Å; Y317-M547 PolarHBondContact O-N 2.84Å; L319-M547 HydrophobicContact CB-CE 3.17Å; L319-M547 HydrophobicContact CB-CG 4.03Å; L319-M547 HydrophobicContact CB-SD 4.43Å; L319-M547 HydrophobicContact CD2-CE 3.71Å; L319-M547 HydrophobicContact CG-CE 4.07Å; S545-M547 VanDerWaalsContact CB-CE 3.45Å; M547-F551 HydrophobicContact CB-CB 4.1Å; M547-F551 HydrophobicContact CB-CD1 3.91Å; M547-F551 HydrophobicContact CB-CG 4.12Å; M547-F551 HydrophobicContact CG-CD1 3.85Å; M547-F551 HydrophobicContact CG-CE1 4.18Å; M547-F551 HydrophobicContact CG-CG 4.17Å; M547-F551 HydrophobicContact SD-CD2 4.46Å; M547-F551 HydrophobicContact SD-CG 4.38Å
548T90.8Very high87.1Confident19 Ų1962.6 Ų62.612%0.11729%0.293CS..  trans-86.1162.2172.655.30000111.7S277 F278 K280 T550 F551 F552S277-T548 WeakPolarHBondContact O-CG2 3.38Å; S277-T548 PolarHBondContact O-OG1 3.16Å; F278-T548 WeakPolarHBondContact CA-OG1 3.3Å; F278-T548 PolarHBondContact O-N 2.85Å; F278-T548 PolarHBondContact O-OG1 3.37Å; K280-T548 HydrophobicContact CD-CG2 4.5Å; K280-T548 HydrophobicContact CG-CG2 3.81Å; T548-T550 PolarHBondContact O-N 2.87Å; T548-T550 PolarHBondContact OG1-OG1 2.94Å; T548-F551 WeakPolarHBondContact O-CB 3.07Å; T548-F551 PolarHBondContact O-N 2.72Å; T548-F552 PolarHBondContact O-N 2.8Å
549D89.6Confident86.2Confident79 Ų7957.7 Ų57.742%0.42229%0.288SS..Hα-helixtrans-60.9-34.9176.4-47.7-21000110.9Y317 F551 F552 Y553Y317-D549 HydrophobicContact CE2-CB 4.25Å; Y317-D549 VanDerWaalsContact CE2-OD1 3.24Å; Y317-D549 WeakPolarHBondContact CE2-OD1 3.4Å; D549-F551 VanDerWaalsContact C-N 3.33Å; D549-F551 PolarHBondContact O-N 2.99Å; D549-F552 WeakPolarHBondContact O-CB 3.44Å; D549-F552 PolarHBondContact O-N 2.88Å; D549-Y553 HydrophobicContact CB-CD2 4.38Å; D549-Y553 HydrophobicContact CB-CE2 3.99Å; D549-Y553 WeakPolarHBondContact O-CD2 3.39Å; D549-Y553 PolarHBondContact O-N 2.89Å
550T88.8Confident84.8Confident77 Ų7761.8 Ų61.847%0.47231%0.307SS..Hα-helixtrans-61.1-39.7177.152.90000112.1T548 Y553 E554T548-T550 PolarHBondContact O-N 2.87Å; T548-T550 PolarHBondContact OG1-OG1 2.94Å; T550-Y553 PolarHBondContact O-N 2.87Å; T550-E554 WeakPolarHBondContact O-CG 3.09Å; T550-E554 PolarHBondContact O-N 2.84Å
551F89.8Confident83.4Confident0 Ų060.7 Ų60.70%031%0.312CS..Hα-helixtrans-60.9-47.5174.4179.1-88.5000111F278 L305 L319 W517 M547 T548 D549 Y553 E554 F555F278-F551 HydrophobicContact CB-CB 4.16Å; F278-F551 HydrophobicContact CB-CD2 3.97Å; F278-F551 HydrophobicContact CD1-CB 3.75Å; F278-F551 HydrophobicContact CD1-CD2 4.2Å; F278-F551 HydrophobicContact CD1-CG 4.48Å; F278-F551 HydrophobicContact CG-CB 4.4Å; F278-F551 HydrophobicContact CG-CD2 4.29Å; L305-F551 HydrophobicContact CD1-CD1 4.3Å; L305-F551 HydrophobicContact CD1-CE1 3.95Å; L305-F551 HydrophobicContact CD2-CE1 4.32Å; L319-F551 HydrophobicContact CD1-CZ 4.34Å; L319-F551 HydrophobicContact CD2-CZ 4.41Å; W517-F551 HydrophobicContact CB-CE2 4.3Å; W517-F551 AromaticContact CD2-CD2 3.94Å; W517-F551 HydrophobicContact CD2-CD2 3.94Å; W517-F551 AromaticContact CD2-CE2 3.39Å; W517-F551 HydrophobicContact CD2-CE2 3.39Å; W517-F551 HydrophobicContact CD2-CZ 4.31Å; W517-F551 AromaticContact CE2-CE2 3.61Å; W517-F551 AromaticContact CE3-CD2 3.81Å; W517-F551 HydrophobicContact CE3-CD2 3.81Å; W517-F551 AromaticContact CE3-CE2 3.72Å; W517-F551 HydrophobicContact CE3-CE2 3.72Å; W517-F551 HydrophobicContact CG-CD2 4.31Å; W517-F551 AromaticContact CG-CE2 3.66Å; W517-F551 HydrophobicContact CG-CE2 3.66Å; W517-F551 HydrophobicContact CH2-CE2 4.34Å; W517-F551 HydrophobicContact CZ2-CE2 4.09Å; W517-F551 HydrophobicContact CZ2-CZ 4.27Å; W517-F551 HydrophobicContact CZ3-CD2 4.23Å; W517-F551 HydrophobicContact CZ3-CE2 4.18Å; W517-F551 AromaticContact NE1-CE2 3.99Å; M547-F551 HydrophobicContact CB-CB 4.1Å; M547-F551 HydrophobicContact CB-CD1 3.91Å; M547-F551 HydrophobicContact CB-CG 4.12Å; M547-F551 HydrophobicContact CG-CD1 3.85Å; M547-F551 HydrophobicContact CG-CE1 4.18Å; M547-F551 HydrophobicContact CG-CG 4.17Å; M547-F551 HydrophobicContact SD-CD2 4.46Å; M547-F551 HydrophobicContact SD-CG 4.38Å; T548-F551 WeakPolarHBondContact O-CB 3.07Å; T548-F551 PolarHBondContact O-N 2.72Å; D549-F551 VanDerWaalsContact C-N 3.33Å; D549-F551 PolarHBondContact O-N 2.99Å; F551-Y553 VanDerWaalsContact C-N 3.35Å; F551-Y553 PolarHBondContact O-N 2.81Å; F551-E554 PolarHBondContact O-N 3.44Å; F551-F555 HydrophobicContact CE1-CB 4.47Å; F551-F555 WeakPolarHBondContact O-CB 3.47Å; F551-F555 PolarHBondContact O-N 3.45Å
552F89.3Confident82Confident22 Ų2266.8 Ų66.810%0.09634%0.343CS..Hα-helixtrans-59.5-44.3-180173.2-98.9000112.1L305 Y317 E491 T548 D549 F555 R556L305-F552 HydrophobicContact CD2-CD2 3.92Å; Y317-F552 HydrophobicContact CD1-CB 3.8Å; Y317-F552 AromaticContact CD1-CD2 3.53Å; Y317-F552 HydrophobicContact CD1-CD2 3.53Å; Y317-F552 HydrophobicContact CD1-CE2 4.26Å; Y317-F552 AromaticContact CD1-CG 3.68Å; Y317-F552 HydrophobicContact CD1-CG 3.68Å; Y317-F552 HydrophobicContact CD2-CB 4.16Å; Y317-F552 HydrophobicContact CE1-CB 3.83Å; Y317-F552 AromaticContact CE1-CD1 3.74Å; Y317-F552 HydrophobicContact CE1-CD1 3.74Å; Y317-F552 AromaticContact CE1-CD2 3.43Å; Y317-F552 HydrophobicContact CE1-CD2 3.43Å; Y317-F552 VanDerWaalsContact CE1-CD2 3.43Å; Y317-F552 HydrophobicContact CE1-CE1 4.15Å; Y317-F552 AromaticContact CE1-CE2 3.89Å; Y317-F552 HydrophobicContact CE1-CE2 3.89Å; Y317-F552 AromaticContact CE1-CG 3.36Å; Y317-F552 HydrophobicContact CE1-CG 3.36Å; Y317-F552 HydrophobicContact CE1-CZ 4.22Å; Y317-F552 HydrophobicContact CE2-CB 4.19Å; Y317-F552 HydrophobicContact CE2-CG 4.45Å; Y317-F552 HydrophobicContact CG-CB 3.97Å; Y317-F552 HydrophobicContact CG-CD2 4.47Å; Y317-F552 HydrophobicContact CG-CG 4.35Å; Y317-F552 AromaticContact CZ-CD1 3.86Å; Y317-F552 AromaticContact CZ-CG 3.79Å; E491-F552 HydrophobicContact CB-CE2 4.42Å; E491-F552 HydrophobicContact CG-CE2 3.84Å; T548-F552 PolarHBondContact O-N 2.8Å; D549-F552 WeakPolarHBondContact O-CB 3.44Å; D549-F552 PolarHBondContact O-N 2.88Å; F552-F555 PolarHBondContact O-N 2.87Å; F552-R556 HydrophobicContact CE1-CG 4.07Å; F552-R556 HydrophobicContact CE2-CG 4.13Å; F552-R556 HydrophobicContact CZ-CG 3.83Å; F552-R556 PolarHBondContact O-N 2.91Å
553Y87.7Confident80.9Confident137 Ų13768.7 Ų68.754%0.53735%0.352SS..Hα-helixtrans-66.5-42.2178.1-68.2-59.3000112.9D549 T550 F551 F555 R556 K557D549-Y553 HydrophobicContact CB-CD2 4.38Å; D549-Y553 HydrophobicContact CB-CE2 3.99Å; D549-Y553 WeakPolarHBondContact O-CD2 3.39Å; D549-Y553 PolarHBondContact O-N 2.89Å; T550-Y553 PolarHBondContact O-N 2.87Å; F551-Y553 VanDerWaalsContact C-N 3.35Å; F551-Y553 PolarHBondContact O-N 2.81Å; Y553-F555 VanDerWaalsContact C-N 3.34Å; Y553-R556 PolarHBondContact O-N 2.85Å; Y553-K557 WeakPolarHBondContact O-CG 3.18Å; Y553-K557 PolarHBondContact O-N 2.88Å
554E87.7Confident79.9Confident72 Ų7270.6 Ų70.634%0.33637%0.373SS..Hα-helixtrans-66.3-36.7175.9-70.6-56.8140.200112F278 W517 T550 F551 K557 K558F278-E554 HydrophobicContact CE1-CB 4.41Å; F278-E554 HydrophobicContact CE1-CG 4.02Å; F278-E554 HydrophobicContact CZ-CG 4.36Å; W517-E554 HydrophobicContact CZ3-CB 3.97Å; T550-E554 WeakPolarHBondContact O-CG 3.09Å; T550-E554 PolarHBondContact O-N 2.84Å; F551-E554 PolarHBondContact O-N 3.44Å; E554-K557 PolarHBondContact O-N 3.49Å; E554-K557 IonicContact OE1-NZ 3.04Å; E554-K557 PolarHBondContact OE1-NZ 2.99Å; E554-K557 IonicContact OE2-NZ 2.88Å; E554-K558 PolarHBondContact O-N 2.89Å
555F87.1Confident79.3Confident35 Ų3575.3 Ų75.315%0.15440%0.404CS..Hα-helixtrans-60.8-47.3171.4176.7-98.9000111.8L305 M494 W517 F551 F552 Y553 K557 K558L305-F555 HydrophobicContact CD2-CB 4.13Å; L305-F555 HydrophobicContact CD2-CD1 3.28Å; L305-F555 HydrophobicContact CD2-CD2 4.48Å; L305-F555 HydrophobicContact CD2-CE1 3.76Å; L305-F555 HydrophobicContact CD2-CG 3.69Å; M494-F555 HydrophobicContact CB-CE2 4.38Å; M494-F555 HydrophobicContact CE-CD2 3.4Å; M494-F555 VanDerWaalsContact CE-CD2 3.4Å; M494-F555 HydrophobicContact CE-CE2 3.14Å; M494-F555 HydrophobicContact CE-CG 4.26Å; M494-F555 HydrophobicContact CE-CZ 3.81Å; M494-F555 HydrophobicContact SD-CD2 4.23Å; M494-F555 HydrophobicContact SD-CE2 4.07Å; W517-F555 HydrophobicContact CH2-CB 4.43Å; F551-F555 HydrophobicContact CE1-CB 4.47Å; F551-F555 WeakPolarHBondContact O-CB 3.47Å; F551-F555 PolarHBondContact O-N 3.45Å; F552-F555 PolarHBondContact O-N 2.87Å; Y553-F555 VanDerWaalsContact C-N 3.34Å; F555-K557 VanDerWaalsContact C-N 3.33Å; F555-K557 PolarHBondContact O-N 2.81Å; F555-K558 PolarHBondContact O-N 2.95Å
556R83.3Confident78.8Confident105 Ų10578.3 Ų78.340%0.39642%0.423SS..Hα-helixtrans-61.6-37.7177.6-81.4-75.5-172.2161.2-1.6112.6E491 F552 Y553 K558 G559E491-R556 IonicContact OE2-CZ 2.74Å; E491-R556 IonicContact OE2-NE 3.53Å; E491-R556 IonicContact OE2-NH2 3.92Å; E491-R556 PolarHBondContact OE2-NH2 3.06Å; F552-R556 HydrophobicContact CE1-CG 4.07Å; F552-R556 HydrophobicContact CE2-CG 4.13Å; F552-R556 HydrophobicContact CZ-CG 3.83Å; F552-R556 PolarHBondContact O-N 2.91Å; Y553-R556 PolarHBondContact O-N 2.85Å; R556-K558 PolarHBondContact O-N 2.86Å; R556-G559 PolarHBondContact O-N 3.03Å; R556-G559 VanDerWaalsContact O-N 3.15Å
557K83Confident78.4Confident133 Ų13377.8 Ų77.858%0.57842%0.424SS*.Hα-helixtrans-61.4-39.5175.9-75.5176.8-174.6171.50113Y553 E554 F555 G559Y553-K557 WeakPolarHBondContact O-CG 3.18Å; Y553-K557 PolarHBondContact O-N 2.88Å; E554-K557 PolarHBondContact O-N 3.49Å; E554-K557 IonicContact OE1-NZ 3.04Å; E554-K557 PolarHBondContact OE1-NZ 2.99Å; E554-K557 IonicContact OE2-NZ 2.88Å; F555-K557 VanDerWaalsContact C-N 3.33Å; F555-K557 PolarHBondContact O-N 2.81Å; K557-G559 PolarHBondContact O-N 3.1Å
558K74.6Confident77.9Confident119 Ų11988.6 Ų88.652%0.51747%0.465SS..Hα-helixtrans-63.1-23.9177.1-71.8-179177.9177.40112.6W517 E554 F555 R556 N560W517-K558 HydrophobicContact CH2-CD 3.92Å; W517-K558 HydrophobicContact CZ2-CD 4.24Å; E554-K558 PolarHBondContact O-N 2.89Å; F555-K558 PolarHBondContact O-N 2.95Å; R556-K558 PolarHBondContact O-N 2.86Å; K558-N560 VanDerWaalsContact C-N 3.34Å; K558-N560 PolarHBondContact O-N 3.13Å
559G62.1Low77.3Confident58 Ų5891.7 Ų91.760%0.59849%0.485SS*.THydrogen-bonded Turntrans-80.70.3-174.800000116.2R556 K557 S561R556-G559 PolarHBondContact O-N 3.03Å; R556-G559 VanDerWaalsContact O-N 3.15Å; K557-G559 PolarHBondContact O-N 3.1Å; G559-S561 PolarHBondContact O-N 3.13Å
560N53.6Low76.5Confident131 Ų13189.8 Ų89.870%0.70148%0.477SS*.  trans31.372.3-176.9-85.32.5000112.5K558 D562K558-N560 VanDerWaalsContact C-N 3.34Å; K558-N560 PolarHBondContact O-N 3.13Å; N560-D562 PolarHBondContact O-N 2.93Å
561S55.4Low75.4Confident79 Ų7998.9 Ų98.955%0.55251%0.51SS*.  trans-74.287.117063.90000108.4G559 E563G559-S561 PolarHBondContact O-N 3.13Å; S561-E563 PolarHBondContact O-N 2.79Å
562D56.2Low74.6Confident159 Ų159103.8 Ų103.885%0.8554%0.536SS*.  trans-68.224.1162.3-87.4-24.6000111.4N560 A564N560-D562 PolarHBondContact O-N 2.93Å; D562-A564 PolarHBondContact O-N 3.19Å; D562-A564 VanDerWaalsContact O-N 3.14Å
563E63.2Low73.9Confident105 Ų105108.1 Ų108.149%0.49156%0.559SS.*  trans-64.9115.1176.3-73.2178.5-178.300108.5S561S561-E563 PolarHBondContact O-N 2.79Å
564A69.6Low73.1Confident67 Ų67106.5 Ų106.555%0.55456%0.56SS**PPolyproline II helixtrans-59135.417700000109.3Y339 D562Y339-A564 VanDerWaalsContact CZ-O 3.32Å; Y339-A564 PolarHBondContact OH-O 3.26Å; D562-A564 PolarHBondContact O-N 3.19Å; D562-A564 VanDerWaalsContact O-N 3.14Å
565P78.7Confident72.2Confident109 Ų109108.5 Ų108.571%0.70857%0.573SS**PPolyproline II helixtrans-58.5153.2-178.326.3-35.3000111.5
566P80.4Confident71.3Confident83 Ų83113.1 Ų113.154%0.53960%0.599SS.*PPolyproline II helixtrans-54.9135.8178.921.9-32.9000110.7Y339Y339-P566 HydrophobicContact CD1-CB 3.74Å; Y339-P566 HydrophobicContact CD2-CB 4.29Å; Y339-P566 HydrophobicContact CE1-CB 4.15Å; Y339-P566 HydrophobicContact CG-CB 3.83Å
567P83.2Confident70.5Confident44 Ų44113.7 Ų113.729%0.28661%0.613SS.*PPolyproline II helixtrans-64.1143.3-178.724.2-30.2000110.3Y339 L437 Y438Y339-P567 HydrophobicContact CD2-CG 4.4Å; L437-P567 HydrophobicContact CB-CG 3.49Å; L437-P567 VanDerWaalsContact CB-CG 3.49Å; L437-P567 HydrophobicContact CD1-CG 4.46Å; Y438-P567 WeakPolarHBondContact CB-O 3.48Å
568R81.1Confident69.6Low228 Ų228112.3 Ų112.386%0.8662%0.615SS**PPolyproline II helixtrans-83.9146.6175.5-64.9-174.5-176.6-138.20.7109.9
569P78.4Confident69.2Low83 Ų83111.8 Ų111.854%0.53962%0.623SS.*PPolyproline II helixtrans-54.1143.9170.6-23.732.7000111.3Y438Y438-P569 HydrophobicContact CD2-CB 3.88Å; Y438-P569 HydrophobicContact CD2-CG 3.96Å; Y438-P569 HydrophobicContact CE2-CB 4.33Å; Y438-P569 HydrophobicContact CG-CB 4.35Å; Y438-P569 HydrophobicContact CG-CG 4.37Å
570P73.8Confident69.8Low40 Ų40116.3 Ų116.326%0.2663%0.625SS.*PPolyproline II helixtrans-57.2149.9173.129.6-38.2000111L386L386-P570 HydrophobicContact CD1-CB 4.11Å; L386-P570 HydrophobicContact CD1-CG 3.7Å
571K64.6Low71.3Confident267 Ų267114.9 Ų114.9100%1.16162%0.618SS**  trans-85.10-177.4-84.6-168.6-179.8-178.30113

Retrieved 571 of 571 residues in 1029.3 ms (Link to these results)

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