A0A087XY67_POEFO Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XY67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 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
1R58.7Low60.4Low267 Ų267132.6 Ų132.6100%1.00864%0.635SS**  0-44.90-152.6172.5-175176.80.3111.9K4 L5R1-K4 PolarHBondContact O-N 3.17Å; R1-L5 PolarHBondContact O-N 3.38Å
2S60.7Low59.8Low95 Ų95131.1 Ų131.166%0.66463%0.632SS**Hα-helixtrans-59.9-42.417954.20000115.7K4 L5 L6S2-K4 VanDerWaalsContact C-N 3.33Å; S2-K4 PolarHBondContact O-N 2.81Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-L6 PolarHBondContact O-N 3.34Å
3R60.6Low59Low215 Ų215131.3 Ų131.381%0.81163%0.631SS**Hα-helixtrans-62.6-34.5178.9-77.2-177.6162.6-173.1-5.3114.2M7R3-M7 WeakPolarHBondContact O-CB 3.36Å; R3-M7 WeakPolarHBondContact O-CG 3.46Å; R3-M7 PolarHBondContact O-N 2.78Å
4K60.8Low58.2Low172 Ų172133.5 Ų133.575%0.74864%0.637SS**Hα-helixtrans-71.4-37.9175.3-70.6-168.6176-172.60111R1 S2 M8R1-K4 PolarHBondContact O-N 3.17Å; S2-K4 VanDerWaalsContact C-N 3.33Å; S2-K4 PolarHBondContact O-N 2.81Å; K4-M8 WeakPolarHBondContact O-CB 3.43Å; K4-M8 WeakPolarHBondContact O-CG 3.3Å; K4-M8 PolarHBondContact O-N 3.38Å
5L62.9Low57.4Low117 Ų117130.6 Ų130.661%0.61363%0.631SS**Hα-helixtrans-64.9-44.1173.9-121.291.5000111.6R1 S2 M7 M8 V9R1-L5 PolarHBondContact O-N 3.38Å; S2-L5 PolarHBondContact O-N 3.35Å; L5-M7 PolarHBondContact O-N 3.45Å; L5-M8 PolarHBondContact O-N 3.06Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.48Å
6L63.8Low56.7Low120 Ų120130.8 Ų130.863%0.62864%0.636SS**Hα-helixtrans-63.5-42.2179-156.491.5000111.6S2 V9 V10S2-L6 PolarHBondContact O-N 3.34Å; L6-V9 PolarHBondContact O-N 3.1Å; L6-V10 WeakPolarHBondContact O-CB 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 2.92Å; L6-V10 PolarHBondContact O-N 3.37Å
7M62.1Low56Low118 Ų118126.2 Ų126.258%0.58163%0.632SS**Hα-helixtrans-65.2-37.8174.5-81.1-76.6142.200112.4R3 L5 V10 L11R3-M7 WeakPolarHBondContact O-CB 3.36Å; R3-M7 WeakPolarHBondContact O-CG 3.46Å; R3-M7 PolarHBondContact O-N 2.78Å; L5-M7 PolarHBondContact O-N 3.45Å; M7-V10 PolarHBondContact O-N 3.03Å; M7-L11 VanDerWaalsContact O-CB 3.24Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 WeakPolarHBondContact O-CD1 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.23Å; M7-L11 WeakPolarHBondContact O-CG 3.35Å; M7-L11 PolarHBondContact O-N 3.2Å
8M59.5Low55.7Low121 Ų121125.1 Ų125.160%0.59663%0.632SS**Hα-helixtrans-69.8-37.4176-66.8-71.8-91.400111.9K4 L5 L11 L12K4-M8 WeakPolarHBondContact O-CB 3.43Å; K4-M8 WeakPolarHBondContact O-CG 3.3Å; K4-M8 PolarHBondContact O-N 3.38Å; L5-M8 PolarHBondContact O-N 3.06Å; M8-L11 PolarHBondContact O-N 3.25Å; M8-L12 VanDerWaalsContact O-CB 3.28Å; M8-L12 WeakPolarHBondContact O-CB 3.43Å; M8-L12 WeakPolarHBondContact O-CD1 3.31Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.3Å; M8-L12 PolarHBondContact O-N 3.27Å
9V59.7Low55.7Low74 Ų74129.1 Ų129.145%0.44864%0.639SS.*Hα-helixtrans-66.7-45.1173.4172.80000110.2L5 L6 L11 L12 E13L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.48Å; L6-V9 PolarHBondContact O-N 3.1Å; V9-L11 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.5Å; V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CB 3.33Å; V9-E13 WeakPolarHBondContact O-CG 3.44Å; V9-E13 PolarHBondContact O-N 2.91Å
10V59.4Low56.5Low59 Ų59130.1 Ų130.136%0.35864%0.644SS.*Hα-helixtrans-63.5-40.2175173.50000111L6 M7 E13 F14L6-V10 WeakPolarHBondContact O-CB 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 2.92Å; L6-V10 PolarHBondContact O-N 3.37Å; M7-V10 PolarHBondContact O-N 3.03Å; V10-E13 PolarHBondContact O-N 3.04Å; V10-F14 HydrophobicContact CG1-CD2 3.64Å; V10-F14 HydrophobicContact CG1-CE2 3.8Å; V10-F14 WeakPolarHBondContact O-CB 3.25Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.34Å; V10-F14 PolarHBondContact O-N 3.45Å
11L56.1Low58Low101 Ų101124.5 Ų124.553%0.52962%0.616SS.*Hα-helixtrans-66.3-38.4174.9-79.2159000112.5M7 M8 V9 F14 T15M7-L11 VanDerWaalsContact O-CB 3.24Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 WeakPolarHBondContact O-CD1 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.23Å; M7-L11 WeakPolarHBondContact O-CG 3.35Å; M7-L11 PolarHBondContact O-N 3.2Å; M8-L11 PolarHBondContact O-N 3.25Å; V9-L11 PolarHBondContact O-N 3.36Å; L11-F14 PolarHBondContact O-N 2.91Å; L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.29Å
12L53Low59.6Low114 Ų114114.4 Ų114.460%0.59759%0.585SS**Hα-helixtrans-66.1-39.5174.2-80.2159.3000111.9M8 V9 T15M8-L12 VanDerWaalsContact O-CB 3.28Å; M8-L12 WeakPolarHBondContact O-CB 3.43Å; M8-L12 WeakPolarHBondContact O-CD1 3.31Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.3Å; M8-L12 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.5Å; L12-T15 PolarHBondContact O-OG1 3.36Å
13E49.6Very low61.2Low134 Ų134111.6 Ų111.663%0.62657%0.568SS**Hα-helixtrans-69.3-36.9174.6-67.9-70.7161.700111.8V9 V10 N16V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CB 3.33Å; V9-E13 WeakPolarHBondContact O-CG 3.44Å; V9-E13 PolarHBondContact O-N 2.91Å; V10-E13 PolarHBondContact O-N 3.04Å; E13-N16 PolarHBondContact O-N 3.47Å
14F48Very low62.9Low162 Ų162101.7 Ų101.771%0.71153%0.532SS*.Hα-helixtrans-73.5-25.6176.8-94.9-91.7000113.5V10 L11 N16 G17V10-F14 HydrophobicContact CG1-CD2 3.64Å; V10-F14 HydrophobicContact CG1-CE2 3.8Å; V10-F14 WeakPolarHBondContact O-CB 3.25Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.34Å; V10-F14 PolarHBondContact O-N 3.45Å; L11-F14 PolarHBondContact O-N 2.91Å; F14-N16 VanDerWaalsContact C-N 3.28Å; F14-N16 PolarHBondContact O-N 3.46Å; F14-G17 PolarHBondContact O-N 3.33Å
15T46.3Very low64.4Low90 Ų9095.1 Ų95.155%0.55251%0.512SS*.Hα-helixtrans-73.8-16175.349.60000114.2L11 L12 G17L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.29Å; L12-T15 PolarHBondContact O-OG1 3.36Å; T15-G17 VanDerWaalsContact C-N 3.33Å
16N45.5Very low65.9Low133 Ų13394.8 Ų94.871%0.71152%0.515SS*.THydrogen-bonded Turntrans-85.1-6.7174.7-70.6-30.7000113.3E13 F14E13-N16 PolarHBondContact O-N 3.47Å; F14-N16 VanDerWaalsContact C-N 3.28Å; F14-N16 PolarHBondContact O-N 3.46Å
17G44.6Very low67.5Low54 Ų5490.1 Ų90.156%0.55749%0.492SS*.THydrogen-bonded Turntrans-91.718.6178.700000115F14 T15 W19F14-G17 PolarHBondContact O-N 3.33Å; T15-G17 VanDerWaalsContact C-N 3.33Å; G17-W19 PolarHBondContact O-N 2.86Å
18V50.8Low69.1Low106 Ų10687 Ų8764%0.64248%0.482SS*.SBendtrans-72.383.9172.3-178.50000108.5M20V18-M20 VanDerWaalsContact C-N 3.3Å; V18-M20 PolarHBondContact O-N 3.32Å
19W57Low70.8Confident201 Ų20182.8 Ų82.876%0.76146%0.461SS*.  trans14.868.8160.5-69.675.7000114.2G17 K107G17-W19 PolarHBondContact O-N 2.86Å; W19-K107 PolarHBondContact O-NZ 2.92Å
20M71.6Confident72.2Confident148 Ų14882.8 Ų82.873%0.72946%0.458SS*.PPolyproline II helixtrans-76.9129-179.8-164.9173.7-76.900107.1V18 P22V18-M20 VanDerWaalsContact C-N 3.3Å; V18-M20 PolarHBondContact O-N 3.32Å; M20-P22 WeakPolarHBondContact O-CD 3.43Å
21L88Confident73.5Confident13 Ų1381.3 Ų81.37%0.06845%0.451CS..PPolyproline II helixtrans-60.1124177.3-175.571000107.9A45 A102 C104 S109L21-A45 HydrophobicContact CD1-CB 4.02Å; L21-A102 HydrophobicContact CD2-CB 3.7Å; L21-A102 WeakPolarHBondContact CD2-O 3.34Å; L21-A102 HydrophobicContact CG-CB 4.4Å; L21-C104 HydrophobicContact CD1-CB 3.92Å; L21-C104 HydrophobicContact CD2-CB 3.85Å; L21-S109 VanDerWaalsContact O-CA 3.23Å; L21-S109 WeakPolarHBondContact O-CA 3.17Å; L21-S109 WeakPolarHBondContact O-CB 3.24Å
22P91.8Very high74.5Confident55 Ų5580.5 Ų80.536%0.35745%0.45SS..PPolyproline II helixtrans-63.2148.1179.812-12.4000110.1M20 P43 A45 S109M20-P22 WeakPolarHBondContact O-CD 3.43Å; P22-P43 HydrophobicContact CB-CB 3.99Å; P22-P43 HydrophobicContact CG-CB 3.67Å; P22-P43 WeakPolarHBondContact O-CB 3.19Å; P22-P43 WeakPolarHBondContact O-CG 3.44Å; P22-A45 VanDerWaalsContact CD-CB 3.46Å; P22-A45 HydrophobicContact CG-CB 3.75Å; P22-S109 VanDerWaalsContact O-CB 3.23Å; P22-S109 WeakPolarHBondContact O-CB 3.32Å
23A94.3Very high75.4Confident37 Ų3779.7 Ų79.731%0.30645%0.446SS..PPolyproline II helixtrans-60.2154.2173.500000110.3G25 A110 A112A23-G25 PolarHBondContact O-N 3.14Å; A23-A110 HydrophobicContact CB-CB 4.46Å; A23-A110 WeakPolarHBondContact CB-O 3.36Å; A23-A112 HydrophobicContact CB-CB 4.41Å
24P95.8Very high76.7Confident7 Ų774.6 Ų74.65%0.04542%0.422CS..PPolyproline II helixtrans-47.4140.6167.5-27.837000110.7W40 Y53 V100 A102 A112P24-W40 HydrophobicContact CB-CB 4.18Å; P24-W40 HydrophobicContact CB-CG 4.16Å; P24-Y53 HydrophobicContact CG-CD1 4.28Å; P24-Y53 HydrophobicContact CG-CE1 4.32Å; P24-V100 HydrophobicContact CB-CG1 3.96Å; P24-V100 HydrophobicContact CG-CG1 4Å; P24-V100 HydrophobicContact CG-CG2 4.2Å; P24-A102 HydrophobicContact CG-CB 4.25Å; P24-A112 HydrophobicContact CB-CB 4.22Å
25G92.6Very high78.4Confident33 Ų3374 Ų7434%0.3442%0.416SS..  trans-75.1-145.3-178.200000111.7A23 V27 T41A23-G25 PolarHBondContact O-N 3.14Å; G25-V27 VanDerWaalsContact O-CG2 3.31Å; G25-V27 WeakPolarHBondContact O-CG2 3.4Å; G25-V27 PolarHBondContact O-N 2.75Å; G25-T41 VanDerWaalsContact C-OG1 3.26Å; G25-T41 WeakPolarHBondContact CA-OG1 3.35Å; G25-T41 PolarHBondContact N-O 2.74Å
26T95Very high80.6Confident111 Ų11169.7 Ų69.768%0.68139%0.389SS*.  trans-44.3116.6-179.1-49.80000111.7W40 T41T26-W40 VanDerWaalsContact O-CA 3.24Å; T26-W40 WeakPolarHBondContact O-CA 3.35Å; T26-T41 PolarHBondContact N-OG1 3.1Å; T26-T41 PolarHBondContact O-N 2.91Å
27V97.3Very high83Confident22 Ų2264.1 Ų64.113%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-101.8135.6175.3-171.90000108G25 L38 R39 W40 V100 A112 F114G25-V27 VanDerWaalsContact O-CG2 3.31Å; G25-V27 WeakPolarHBondContact O-CG2 3.4Å; G25-V27 PolarHBondContact O-N 2.75Å; V27-L38 HydrophobicContact CG1-CD1 3.64Å; V27-L38 HydrophobicContact CG1-CD2 4.5Å; V27-L38 HydrophobicContact CG1-CG 4.16Å; V27-R39 CarbonylContact C-O 3.53Å; V27-R39 WeakPolarHBondContact CA-O 3.46Å; V27-W40 HydrophobicContact CG2-CB 4.16Å; V27-V100 HydrophobicContact CG2-CG1 3.97Å; V27-A112 HydrophobicContact CG2-CB 3.78Å; V27-F114 HydrophobicContact CB-CB 4.14Å; V27-F114 HydrophobicContact CB-CD2 4.21Å; V27-F114 HydrophobicContact CB-CG 4.44Å; V27-F114 HydrophobicContact CG1-CB 3.64Å; V27-F114 HydrophobicContact CG1-CD2 4.17Å; V27-F114 HydrophobicContact CG1-CG 3.97Å; V27-F114 VanDerWaalsContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CE2 3.3Å
28S95.9Very high85.5Confident53 Ų5361.6 Ų61.637%0.37133%0.333SS..EExtended strand (participates in β ladder)trans-146.7153.4-17958.60000110.6R39S28-R39 PolarHBondContact N-O 2.84Å; S28-R39 PolarHBondContact O-N 3.47Å
29M94.1Very high87.8Confident32 Ų3261.9 Ų61.916%0.15832%0.323CS..EExtended strand (participates in β ladder)trans-104.8127.8171.9-171.272.1111.400110.5H36 V37 L38 L90 L98 F114 F116M29-H36 HydrophobicContact CE-CB 3.8Å; M29-H36 HydrophobicContact SD-CB 4.22Å; M29-V37 VanDerWaalsContact SD-C 3.52Å; M29-L38 HydrophobicContact SD-CB 4.26Å; M29-L38 HydrophobicContact SD-CD1 4.39Å; M29-L90 HydrophobicContact CE-CD1 3.53Å; M29-L98 HydrophobicContact CE-CD1 3.67Å; M29-F114 HydrophobicContact CB-CE1 3.62Å; M29-F114 HydrophobicContact CB-CZ 4.04Å; M29-F116 HydrophobicContact CB-CD2 4.01Å; M29-F116 HydrophobicContact CB-CE2 4.28Å; M29-F116 HydrophobicContact CE-CB 4.4Å; M29-F116 HydrophobicContact CE-CD1 3.57Å; M29-F116 HydrophobicContact CE-CD2 3.86Å; M29-F116 HydrophobicContact CE-CE1 3.58Å; M29-F116 HydrophobicContact CE-CE2 3.89Å; M29-F116 HydrophobicContact CE-CG 3.67Å; M29-F116 HydrophobicContact CE-CZ 3.7Å; M29-F116 HydrophobicContact CG-CD2 3.72Å; M29-F116 HydrophobicContact CG-CE2 3.58Å; M29-F116 HydrophobicContact CG-CG 4.43Å; M29-F116 HydrophobicContact CG-CZ 4.17Å
30D90.6Very high89.7Confident73 Ų7352.8 Ų52.839%0.3929%0.289SS..EExtended strand (participates in β ladder)trans-98.6105167.3-177.68.9000107.7V37 R39D30-V37 HydrophobicContact CB-CB 4.39Å; D30-V37 PolarHBondContact N-O 3.46Å; D30-V37 PolarHBondContact O-N 2.96Å; D30-R39 IonicContact OD2-NE 3.58Å
31S86.3Confident90.9Very high29 Ų2949.1 Ų49.120%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-126.7102-171.3169.30000110.9R35 H36 I121S31-R35 VanDerWaalsContact CA-O 3.3Å; S31-R35 WeakPolarHBondContact CA-O 3.49Å; S31-H36 PolarHBondContact OG-CE1 3.38Å; S31-H36 PolarHBondContact OG-ND1 3.48Å; S31-H36 VanDerWaalsContact OG-ND1 3.07Å; S31-I121 WeakPolarHBondContact OG-CD1 3.25Å; S31-I121 WeakPolarHBondContact OG-CG1 3.2Å
32V76.7Confident91.1Very high83 Ų8353.8 Ų53.850%0.50330%0.296SS..EExtended strand (participates in β ladder)trans-136135.8-178.2-177.20000108.6M34 R35V32-M34 VanDerWaalsContact C-N 3.33Å; V32-M34 PolarHBondContact O-N 3.44Å; V32-R35 PolarHBondContact N-O 2.87Å; V32-R35 VanDerWaalsContact N-O 3.13Å; V32-R35 WeakPolarHBondContact O-CB 3.49Å; V32-R35 PolarHBondContact O-N 3Å
33N72.3Confident91Very high98 Ų9851.8 Ų51.852%0.52428%0.283SS..THydrogen-bonded Turntrans52.746175.4-62.4-15.3000113.8R35 P124N33-R35 PolarHBondContact O-N 2.9Å; N33-R35 VanDerWaalsContact O-N 3.09Å; N33-P124 HydrophobicContact CB-CB 3.93Å; N33-P124 HydrophobicContact CB-CG 3.8Å; N33-P124 WeakPolarHBondContact OD1-CA 3.11Å; N33-P124 VanDerWaalsContact OD1-CB 3.3Å; N33-P124 WeakPolarHBondContact OD1-CB 3.23Å
34M75.8Confident90.3Very high26 Ų2662.1 Ų62.113%0.12831%0.314CS..THydrogen-bonded Turntrans62.76.9-176.4-60-62.9-78.100115.7V32 H36 T87 P145V32-M34 VanDerWaalsContact C-N 3.33Å; V32-M34 PolarHBondContact O-N 3.44Å; M34-H36 PolarHBondContact O-CD2 3.44Å; M34-H36 PolarHBondContact O-NE2 3.02Å; M34-H36 VanDerWaalsContact O-NE2 3.08Å; M34-T87 WeakPolarHBondContact O-CG2 3.34Å; M34-P145 HydrophobicContact CE-CG 4.21Å
35R84.8Confident89.3Confident150 Ų15063.8 Ų63.857%0.56633%0.329SS*.EExtended strand (participates in β ladder)trans-95.3125.9173.5-173-175.7-177.9-174.6-0.3110S31 V32 N33 V37 D85 T87S31-R35 VanDerWaalsContact CA-O 3.3Å; S31-R35 WeakPolarHBondContact CA-O 3.49Å; V32-R35 PolarHBondContact N-O 2.87Å; V32-R35 VanDerWaalsContact N-O 3.13Å; V32-R35 WeakPolarHBondContact O-CB 3.49Å; V32-R35 PolarHBondContact O-N 3Å; N33-R35 PolarHBondContact O-N 2.9Å; N33-R35 VanDerWaalsContact O-N 3.09Å; R35-V37 HydrophobicContact CG-CG2 4.22Å; R35-D85 IonicContact CZ-OD2 3.13Å; R35-D85 IonicContact NE-OD2 3.45Å; R35-D85 PolarHBondContact NE-OD2 2.8Å; R35-D85 IonicContact NH2-OD2 2.73Å; R35-D85 PolarHBondContact NH2-OD2 2.93Å; R35-T87 WeakPolarHBondContact CA-OG1 3.4Å
36H91.4Very high88.5Confident0 Ų067 Ų670%035%0.346CS..EExtended strand (participates in β ladder)trans-116.9101.1-170.7-57.2-47.4000110.8M29 S31 M34 L86 T87 L90 F116 R118M29-H36 HydrophobicContact CE-CB 3.8Å; M29-H36 HydrophobicContact SD-CB 4.22Å; S31-H36 PolarHBondContact OG-CE1 3.38Å; S31-H36 PolarHBondContact OG-ND1 3.48Å; S31-H36 VanDerWaalsContact OG-ND1 3.07Å; M34-H36 PolarHBondContact O-CD2 3.44Å; M34-H36 PolarHBondContact O-NE2 3.02Å; M34-H36 VanDerWaalsContact O-NE2 3.08Å; H36-L86 PolarHBondContact O-N 2.81Å; H36-T87 PolarHBondContact N-OG1 2.85Å; H36-L90 HydrophobicContact CB-CD1 4.27Å; H36-F116 AromaticContact CG-CZ 3.98Å; H36-F116 AromaticContact ND1-CZ 3.5Å; H36-F116 WeakPolarHBondContact ND1-CZ 3.43Å; H36-R118 PolarHBondContact NE2-NE 2.9Å
37V95.8Very high87.9Confident15 Ų1563.1 Ų63.19%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-110.7110.1-179.2-174.60000110.4M29 D30 R35 R39 C84 D85M29-V37 VanDerWaalsContact SD-C 3.52Å; D30-V37 HydrophobicContact CB-CB 4.39Å; D30-V37 PolarHBondContact N-O 3.46Å; D30-V37 PolarHBondContact O-N 2.96Å; R35-V37 HydrophobicContact CG-CG2 4.22Å; V37-R39 HydrophobicContact CG1-CG 4.35Å; V37-C84 CarbonylContact C-O 3.55Å; V37-C84 WeakPolarHBondContact CA-O 3.29Å; V37-D85 HydrophobicContact CG2-CB 4.44Å
38L98Very high87.2Confident1 Ų170.3 Ų70.31%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-75.3132.1173.2-170.168.6000109.4V27 M29 W40 V55 S83 C84 L86 L98 F114V27-L38 HydrophobicContact CG1-CD1 3.64Å; V27-L38 HydrophobicContact CG1-CD2 4.5Å; V27-L38 HydrophobicContact CG1-CG 4.16Å; M29-L38 HydrophobicContact SD-CB 4.26Å; M29-L38 HydrophobicContact SD-CD1 4.39Å; L38-W40 HydrophobicContact CB-CZ3 4.24Å; L38-W40 HydrophobicContact CD2-CE3 4.22Å; L38-W40 HydrophobicContact CD2-CZ3 4.01Å; L38-W40 HydrophobicContact CG-CE3 4.07Å; L38-W40 HydrophobicContact CG-CZ3 4.04Å; L38-V55 HydrophobicContact CD2-CG1 3.86Å; L38-V55 HydrophobicContact CD2-CG2 4.44Å; L38-S83 CarbonylContact O-C 3.57Å; L38-S83 WeakPolarHBondContact O-CA 3.42Å; L38-C84 PolarHBondContact N-O 3.33Å; L38-C84 PolarHBondContact O-N 3.33Å; L38-L86 HydrophobicContact CB-CD1 3.85Å; L38-L86 HydrophobicContact CD2-CD1 4.14Å; L38-L98 HydrophobicContact CD1-CD1 3.79Å; L38-L98 HydrophobicContact CD2-CB 4.4Å; L38-L98 HydrophobicContact CD2-CD1 4.44Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å
39R98.3Very high86.8Confident112 Ų11270.7 Ų70.742%0.42336%0.363SS..EExtended strand (participates in β ladder)trans-126.6147.4178.4-66-179170.7-84.20.7110.5V27 S28 D30 V37V27-R39 CarbonylContact C-O 3.53Å; V27-R39 WeakPolarHBondContact CA-O 3.46Å; S28-R39 PolarHBondContact N-O 2.84Å; S28-R39 PolarHBondContact O-N 3.47Å; D30-R39 IonicContact OD2-NE 3.58Å; V37-R39 HydrophobicContact CG1-CG 4.35Å
40W97.8Very high86.6Confident10 Ų1073.9 Ų73.94%0.03839%0.385CS..EExtended strand (participates in β ladder)trans-145.3165.2174.155.290.4000112.1P24 T26 V27 L38 Y53 V55 I79 L81 T82 C84 V100P24-W40 HydrophobicContact CB-CB 4.18Å; P24-W40 HydrophobicContact CB-CG 4.16Å; T26-W40 VanDerWaalsContact O-CA 3.24Å; T26-W40 WeakPolarHBondContact O-CA 3.35Å; V27-W40 HydrophobicContact CG2-CB 4.16Å; L38-W40 HydrophobicContact CB-CZ3 4.24Å; L38-W40 HydrophobicContact CD2-CE3 4.22Å; L38-W40 HydrophobicContact CD2-CZ3 4.01Å; L38-W40 HydrophobicContact CG-CE3 4.07Å; L38-W40 HydrophobicContact CG-CZ3 4.04Å; W40-Y53 AromaticContact CD1-CD1 3.93Å; W40-Y53 AromaticContact CD1-CE1 3.78Å; W40-Y53 AromaticContact CE2-CD1 3.91Å; W40-Y53 AromaticContact CE2-CG 3.8Å; W40-Y53 HydrophobicContact CZ2-CD1 4.29Å; W40-Y53 HydrophobicContact CZ2-CD2 4.16Å; W40-Y53 AromaticContact CZ2-CG 3.75Å; W40-Y53 HydrophobicContact CZ2-CG 3.75Å; W40-Y53 AromaticContact NE1-CD1 3.11Å; W40-Y53 AromaticContact NE1-CD2 3.69Å; W40-Y53 AromaticContact NE1-CE1 3.29Å; W40-Y53 VanDerWaalsContact NE1-CE1 3.29Å; W40-Y53 AromaticContact NE1-CE2 3.87Å; W40-Y53 AromaticContact NE1-CG 3.33Å; W40-Y53 VanDerWaalsContact NE1-CG 3.33Å; W40-Y53 AromaticContact NE1-CZ 3.68Å; W40-V55 HydrophobicContact CH2-CG2 3.65Å; W40-V55 HydrophobicContact CZ3-CG2 3.88Å; W40-I79 HydrophobicContact CH2-CD1 4.22Å; W40-I79 HydrophobicContact CZ2-CD1 4.43Å; W40-L81 VanDerWaalsContact CZ2-O 3.32Å; W40-L81 WeakPolarHBondContact CZ2-O 3.14Å; W40-T82 PolarHBondContact N-O 3.11Å; W40-T82 WeakPolarHBondContact O-CB 3.37Å; W40-C84 HydrophobicContact CH2-CB 3.78Å; W40-C84 HydrophobicContact CZ3-CB 3.95Å; W40-V100 HydrophobicContact CB-CG1 4.4Å; W40-V100 HydrophobicContact CD2-CB 4.46Å; W40-V100 HydrophobicContact CD2-CG1 4.19Å; W40-V100 HydrophobicContact CD2-CG2 3.84Å; W40-V100 HydrophobicContact CE3-CB 4.39Å; W40-V100 HydrophobicContact CE3-CG1 4.27Å; W40-V100 HydrophobicContact CE3-CG2 4.08Å; W40-V100 HydrophobicContact CG-CG1 4.26Å; W40-V100 HydrophobicContact CG-CG2 4.41Å; W40-V100 HydrophobicContact CH2-CG2 4.14Å; W40-V100 HydrophobicContact CZ2-CG2 3.9Å; W40-V100 HydrophobicContact CZ3-CG2 4.23Å
41T96.4Very high86.8Confident71 Ų7171 Ų7144%0.43637%0.37SS..PPolyproline II helixtrans-96.1141.5172.952.50000111.2G25 T26G25-T41 VanDerWaalsContact C-OG1 3.26Å; G25-T41 WeakPolarHBondContact CA-OG1 3.35Å; G25-T41 PolarHBondContact N-O 2.74Å; T26-T41 PolarHBondContact N-OG1 3.1Å; T26-T41 PolarHBondContact O-N 2.91Å
42Q93.2Very high87.3Confident112 Ų11272.2 Ų72.252%0.52337%0.374SS..PPolyproline II helixtrans-65134.8178176.8156.1-77.900110.7Y53 T82Q42-Y53 WeakPolarHBondContact CB-OH 3.11Å; Q42-Y53 VanDerWaalsContact CG-OH 3.26Å; Q42-Y53 WeakPolarHBondContact CG-OH 3.42Å; Q42-Y53 PolarHBondContact OE1-OH 3.41Å; Q42-T82 HydrophobicContact CB-CG2 4.43Å
43P88.3Confident88.3Confident13 Ų1368.3 Ų68.38%0.08435%0.35CS..PPolyproline II helixtrans-59.1141175.6-17.125000112P22 A45 A102P22-P43 HydrophobicContact CB-CB 3.99Å; P22-P43 HydrophobicContact CG-CB 3.67Å; P22-P43 WeakPolarHBondContact O-CB 3.19Å; P22-P43 WeakPolarHBondContact O-CG 3.44Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.38Å; P43-A102 HydrophobicContact CG-CB 4Å
44R80.2Confident89.5Confident254 Ų25463.8 Ų63.896%0.95833%0.326SS*.SBendtrans-77.576.2173.2-65-174.5-178.2-177.70.8110
45A75.2Confident90.6Very high42 Ų4262.6 Ų62.635%0.34732%0.32SS..  trans-138.5141.2173.100000110.8L21 P22 P43 C47L21-A45 HydrophobicContact CD1-CB 4.02Å; P22-A45 VanDerWaalsContact CD-CB 3.46Å; P22-A45 HydrophobicContact CG-CB 3.75Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.38Å; A45-C47 PolarHBondContact O-N 3.5Å
46S74.6Confident91.3Very high100 Ų10056.5 Ų56.570%0.69930%0.298SS*.  trans-68.1112.1171.453.90000109.1
47C83.1Confident91.5Very high30 Ų3058.1 Ų58.120%0.20330%0.304CS..  trans-112.1129.4170.6-172.90000108.5A45 S49 V51 C104A45-C47 PolarHBondContact O-N 3.5Å; C47-S49 PolarHBondContact O-N 3.48Å; C47-S49 PolarHBondContact SG-O 2.94Å; C47-S49 PolarHBondContact SG-OG 2.99Å; C47-S49 VanDerWaalsContact SG-OG 3.33Å; C47-V51 HydrophobicContact CB-CG2 3.7Å; C47-C104 VanDerWaalsContact CA-SG 3.52Å; C47-C104 HydrophobicContact CB-CB 4.03Å; C47-C104 WeakPolarHBondContact CB-SG 3.34Å; C47-C104 WeakPolarHBondContact SG-CB 3.48Å; C47-C104 CovalentContact SG-SG 2.02Å; C47-C104 PolarHBondContact SG-SG 3.46Å
48N83.4Confident91.5Very high173 Ų17358.2 Ų58.293%0.92530%0.304SS*.SBendtrans-76.2-6.8177.8-65-7.9000112.5
49S85.8Confident91.3Very high61 Ų6158.2 Ų58.243%0.42730%0.304SS..SBendtrans-128.5173.7179.966.80000110.5C47 V51C47-S49 PolarHBondContact O-N 3.48Å; C47-S49 PolarHBondContact SG-O 2.94Å; C47-S49 PolarHBondContact SG-OG 2.99Å; C47-S49 VanDerWaalsContact SG-OG 3.33Å; S49-V51 PolarHBondContact O-N 3.42Å
50T90.7Very high90.8Very high98 Ų9858.2 Ų58.260%0.60131%0.309SS*.  trans-59.2133.7166.6-49.70000110.1L52 P80T50-L52 HydrophobicContact CG2-CD2 4.21Å; T50-P80 HydrophobicContact CG2-CB 3.97Å
51V94.3Very high90.3Very high14 Ų1463.1 Ų63.19%0.08533%0.331CS..  trans-81.2130.2172.21800000108.3C47 S49 Y53 A102 Q103C47-V51 HydrophobicContact CB-CG2 3.7Å; S49-V51 PolarHBondContact O-N 3.42Å; V51-Y53 HydrophobicContact CG1-CE1 3.98Å; V51-Y53 HydrophobicContact CG1-CE2 4.17Å; V51-A102 HydrophobicContact CG1-CB 3.85Å; V51-Q103 WeakPolarHBondContact CA-O 3.09Å
52L96.7Very high90.1Very high53 Ų5360.5 Ų60.528%0.27731%0.314SS..EExtended strand (participates in β ladder)trans-112.3149.7179.1-57.3178.1000110.2T50 R78 I79 P80 A102 Q103T50-L52 HydrophobicContact CG2-CD2 4.21Å; L52-R78 HydrophobicContact CB-CB 4.32Å; L52-R78 HydrophobicContact CD1-CB 4.2Å; L52-I79 CarbonylContact C-O 3.53Å; L52-I79 WeakPolarHBondContact CA-O 3.11Å; L52-P80 HydrophobicContact CD2-CB 4.11Å; L52-A102 CarbonylContact O-C 3.54Å; L52-A102 WeakPolarHBondContact O-CA 3.33Å; L52-Q103 PolarHBondContact N-O 3.34Å; L52-Q103 PolarHBondContact O-N 2.94Å
53Y98Very high89.9Confident1 Ų159 Ų590%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-121.5143-175.6-57.7-82000111.4P24 W40 Q42 V51 R78 I79 L81 T82 V100 R101 A102P24-Y53 HydrophobicContact CG-CD1 4.28Å; P24-Y53 HydrophobicContact CG-CE1 4.32Å; W40-Y53 AromaticContact CD1-CD1 3.93Å; W40-Y53 AromaticContact CD1-CE1 3.78Å; W40-Y53 AromaticContact CE2-CD1 3.91Å; W40-Y53 AromaticContact CE2-CG 3.8Å; W40-Y53 HydrophobicContact CZ2-CD1 4.29Å; W40-Y53 HydrophobicContact CZ2-CD2 4.16Å; W40-Y53 AromaticContact CZ2-CG 3.75Å; W40-Y53 HydrophobicContact CZ2-CG 3.75Å; W40-Y53 AromaticContact NE1-CD1 3.11Å; W40-Y53 AromaticContact NE1-CD2 3.69Å; W40-Y53 AromaticContact NE1-CE1 3.29Å; W40-Y53 VanDerWaalsContact NE1-CE1 3.29Å; W40-Y53 AromaticContact NE1-CE2 3.87Å; W40-Y53 AromaticContact NE1-CG 3.33Å; W40-Y53 VanDerWaalsContact NE1-CG 3.33Å; W40-Y53 AromaticContact NE1-CZ 3.68Å; Q42-Y53 WeakPolarHBondContact CB-OH 3.11Å; Q42-Y53 VanDerWaalsContact CG-OH 3.26Å; Q42-Y53 WeakPolarHBondContact CG-OH 3.42Å; Q42-Y53 PolarHBondContact OE1-OH 3.41Å; V51-Y53 HydrophobicContact CG1-CE1 3.98Å; V51-Y53 HydrophobicContact CG1-CE2 4.17Å; Y53-R78 CarbonylContact O-C 3.59Å; Y53-R78 WeakPolarHBondContact O-CA 2.99Å; Y53-R78 PolarHBondContact O-N 2.86Å; Y53-I79 WeakPolarHBondContact CD2-O 3.44Å; Y53-I79 PolarHBondContact N-O 3.42Å; Y53-I79 PolarHBondContact O-N 3.38Å; Y53-L81 VanDerWaalsContact CD2-O 3.3Å; Y53-L81 WeakPolarHBondContact CD2-O 3.46Å; Y53-T82 HydrophobicContact CE2-CG2 3.95Å; Y53-V100 HydrophobicContact CD1-CG2 4.38Å; Y53-R101 VanDerWaalsContact CA-O 3.31Å; Y53-R101 WeakPolarHBondContact CA-O 3.36Å; Y53-A102 HydrophobicContact CD1-CB 4.02Å; Y53-A102 HydrophobicContact CE1-CB 3.8Å
54S98.4Very high90Very high4 Ų464.1 Ų64.13%0.02834%0.335CS..EExtended strand (participates in β ladder)trans-123.8132.3171.5-83.80000109.3C76 Q77 R78 V100 R101 W111S54-C76 WeakPolarHBondContact CA-O 3.4Å; S54-Q77 VanDerWaalsContact CB-OE1 3.28Å; S54-Q77 PolarHBondContact OG-OE1 3.29Å; S54-R78 PolarHBondContact OG-N 3.05Å; S54-V100 WeakPolarHBondContact O-CA 3.13Å; S54-R101 PolarHBondContact N-O 2.81Å; S54-R101 VanDerWaalsContact N-O 3.08Å; S54-R101 PolarHBondContact O-N 2.83Å; S54-R101 VanDerWaalsContact O-N 3.07Å; S54-W111 WeakPolarHBondContact O-CZ3 3.24Å
55V98.7Very high90.4Very high0 Ų057.4 Ų57.40%032%0.317CS..EExtended strand (participates in β ladder)trans-109.6141.5178.6-177.50000110.4L38 W40 A73 C76 Q77 C84 L86 R99 V100L38-V55 HydrophobicContact CD2-CG1 3.86Å; L38-V55 HydrophobicContact CD2-CG2 4.44Å; W40-V55 HydrophobicContact CH2-CG2 3.65Å; W40-V55 HydrophobicContact CZ3-CG2 3.88Å; V55-A73 HydrophobicContact CB-CB 4.34Å; V55-A73 HydrophobicContact CG1-CB 4.44Å; V55-A73 PolarHBondContact O-N 3.38Å; V55-C76 HydrophobicContact CB-CB 3.9Å; V55-C76 HydrophobicContact CG2-CB 4Å; V55-C76 PolarHBondContact N-O 2.95Å; V55-Q77 PolarHBondContact O-NE2 3.31Å; V55-C84 HydrophobicContact CG2-CB 4.04Å; V55-L86 HydrophobicContact CG1-CD1 4.2Å; V55-L86 HydrophobicContact CG1-CD2 4.1Å; V55-R99 CarbonylContact C-O 3.56Å; V55-R99 WeakPolarHBondContact CA-O 3.39Å; V55-V100 HydrophobicContact CG2-CB 4.25Å; V55-V100 HydrophobicContact CG2-CG2 3.99Å
56Q98.4Very high91.2Very high22 Ų2259.8 Ų59.810%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-132.7153.5170.9-71.1-178.9-20.800110.4W70 I71 N72 R99 W111Q56-W70 HydrophobicContact CB-CB 4.41Å; Q56-W70 HydrophobicContact CB-CE3 3.96Å; Q56-I71 CarbonylContact C-O 3.52Å; Q56-I71 WeakPolarHBondContact CA-O 3.37Å; Q56-I71 VanDerWaalsContact CB-O 3.27Å; Q56-I71 WeakPolarHBondContact CB-O 3.31Å; Q56-N72 VanDerWaalsContact CG-OD1 3.3Å; Q56-N72 WeakPolarHBondContact CG-OD1 3.4Å; Q56-N72 PolarHBondContact NE2-OD1 2.85Å; Q56-R99 HydrophobicContact CB-CG 3.84Å; Q56-R99 PolarHBondContact N-O 2.85Å; Q56-R99 PolarHBondContact O-N 2.96Å; Q56-W111 HydrophobicContact CB-CH2 4.33Å; Q56-W111 HydrophobicContact CB-CZ3 4.4Å; Q56-W111 HydrophobicContact CG-CH2 3.74Å; Q56-W111 HydrophobicContact CG-CZ2 4.45Å; Q56-W111 HydrophobicContact CG-CZ3 4.26Å
57Y97.2Very high92Very high34 Ų3462.6 Ų62.613%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-131.7162.3176.169.6-86.7000110.8I71 A73 D89 L90 Y96 S97Y57-I71 HydrophobicContact CD1-CB 4.34Å; Y57-I71 HydrophobicContact CE1-CB 3.88Å; Y57-I71 HydrophobicContact CE1-CG2 3.71Å; Y57-I71 HydrophobicContact CE2-CB 4.11Å; Y57-I71 HydrophobicContact CE2-CG2 4.4Å; Y57-I71 PolarHBondContact N-O 2.98Å; Y57-I71 PolarHBondContact O-N 3.18Å; Y57-I71 WeakPolarHBondContact OH-CG2 3.22Å; Y57-A73 HydrophobicContact CD1-CB 4.42Å; Y57-D89 HydrophobicContact CD1-CB 4.03Å; Y57-D89 HydrophobicContact CE1-CB 3.76Å; Y57-L90 HydrophobicContact CD2-CD2 4.27Å; Y57-L90 HydrophobicContact CG-CD2 4.25Å; Y57-Y96 HydrophobicContact CD2-CD1 4.27Å; Y57-Y96 HydrophobicContact CD2-CE1 4.23Å; Y57-S97 CarbonylContact C-O 3.6Å; Y57-S97 WeakPolarHBondContact CA-O 3.34Å
58Q95.6Very high92.4Very high17 Ų1762.5 Ų62.58%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-150.6112.7177.6165.7167.481.200107.5E62 L63 G68 S69 W70 Y96 S97Q58-E62 HydrophobicContact CG-CB 4.04Å; Q58-L63 HydrophobicContact CG-CD1 4.36Å; Q58-L63 HydrophobicContact CG-CD2 3.83Å; Q58-L63 HydrophobicContact CG-CG 3.69Å; Q58-G68 PolarHBondContact NE2-O 3.34Å; Q58-S69 PolarHBondContact NE2-O 2.68Å; Q58-W70 HydrophobicContact CB-CD2 4.06Å; Q58-W70 HydrophobicContact CB-CE3 3.84Å; Q58-W70 HydrophobicContact CB-CH2 4.38Å; Q58-W70 HydrophobicContact CB-CZ3 4.01Å; Q58-Y96 WeakPolarHBondContact O-CA 3.45Å; Q58-S97 PolarHBondContact N-O 2.87Å; Q58-S97 PolarHBondContact O-N 3.06Å
59G92.6Very high92.9Very high1 Ų156.2 Ų56.21%0.0130%0.3CS..  trans-99-171.6173.500000112.3F61 E62 L63 Y96G59-F61 VanDerWaalsContact C-N 3.33Å; G59-F61 PolarHBondContact O-N 2.82Å; G59-E62 PolarHBondContact N-OE2 3.05Å; G59-E62 VanDerWaalsContact N-OE2 3.07Å; G59-E62 PolarHBondContact O-N 2.78Å; G59-L63 WeakPolarHBondContact O-CG 3.38Å; G59-L63 PolarHBondContact O-N 2.86Å; G59-L63 VanDerWaalsContact O-N 3.09Å; G59-Y96 VanDerWaalsContact CA-CD1 3.47Å
60E88.1Confident93.4Very high112 Ų11256 Ų5652%0.52329%0.29SS..Hα-helixtrans-58.4-42.3177.8-172.9-178.2-172.100112.5E62 L63 L64E60-E62 PolarHBondContact O-N 3.35Å; E60-L63 PolarHBondContact O-N 2.78Å; E60-L64 HydrophobicContact CG-CD1 3.58Å; E60-L64 HydrophobicContact CG-CG 4.1Å; E60-L64 WeakPolarHBondContact O-CB 3.48Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.11Å
61F87.7Confident93.7Very high113 Ų11353.3 Ų53.350%0.49627%0.271SS..Hα-helixtrans-61.2-45177.9179.2-99.9000112G59 L63 I65 K66G59-F61 VanDerWaalsContact C-N 3.33Å; G59-F61 PolarHBondContact O-N 2.82Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.5Å; F61-I65 HydrophobicContact CD2-CB 3.88Å; F61-I65 HydrophobicContact CD2-CG1 3.62Å; F61-I65 HydrophobicContact CD2-CG2 4.37Å; F61-I65 HydrophobicContact CE2-CB 3.71Å; F61-I65 HydrophobicContact CE2-CG1 3.75Å; F61-I65 HydrophobicContact CE2-CG2 3.69Å; F61-I65 HydrophobicContact CG-CB 4.42Å; F61-I65 HydrophobicContact CG-CG1 4.42Å; F61-I65 HydrophobicContact CZ-CB 4.12Å; F61-I65 HydrophobicContact CZ-CG2 3.91Å; F61-I65 WeakPolarHBondContact O-CA 3.41Å; F61-I65 VanDerWaalsContact O-CB 3.29Å; F61-I65 WeakPolarHBondContact O-CB 3.4Å; F61-I65 PolarHBondContact O-N 3.32Å; F61-K66 HydrophobicContact CD1-CD 4.38Å; F61-K66 HydrophobicContact CE1-CD 3.99Å; F61-K66 HydrophobicContact CE1-CG 4.07Å; F61-K66 PolarHBondContact O-N 3.27Å
62E92.3Very high93.9Very high17 Ų1756.5 Ų56.58%0.07929%0.288CS..Hα-helixtrans-62.6-38.7176.7-78.664.4-133.600112.6Q58 G59 E60 K66 G68 S69 I71Q58-E62 HydrophobicContact CG-CB 4.04Å; G59-E62 PolarHBondContact N-OE2 3.05Å; G59-E62 VanDerWaalsContact N-OE2 3.07Å; G59-E62 PolarHBondContact O-N 2.78Å; E60-E62 PolarHBondContact O-N 3.35Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 CarbonylContact O-C 3.2Å; E62-K66 WeakPolarHBondContact O-CA 3.47Å; E62-K66 PolarHBondContact O-N 3.45Å; E62-G68 WeakPolarHBondContact O-CA 3.47Å; E62-G68 PolarHBondContact O-N 3.33Å; E62-S69 WeakPolarHBondContact CB-O 3.41Å; E62-I71 HydrophobicContact CG-CD1 4.13Å; E62-I71 HydrophobicContact CG-CG1 3.47Å; E62-I71 VanDerWaalsContact CG-CG1 3.47Å
63L89.6Confident94Very high81 Ų8154 Ų5442%0.42428%0.275SS..Hα-helixtrans-67.6-51.8179-74.4169.1000111.6Q58 G59 E60 F61 G68Q58-L63 HydrophobicContact CG-CD1 4.36Å; Q58-L63 HydrophobicContact CG-CD2 3.83Å; Q58-L63 HydrophobicContact CG-CG 3.69Å; G59-L63 WeakPolarHBondContact O-CG 3.38Å; G59-L63 PolarHBondContact O-N 2.86Å; G59-L63 VanDerWaalsContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 2.78Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.5Å; L63-G68 PolarHBondContact O-N 3.23Å
64L89.3Confident93.9Very high120 Ų12058 Ų5863%0.62830%0.301SS*.Hα-helixtrans-83.7-38.8-171.5-61.6-177.9000113.1E60E60-L64 HydrophobicContact CG-CD1 3.58Å; E60-L64 HydrophobicContact CG-CG 4.1Å; E60-L64 WeakPolarHBondContact O-CB 3.48Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.11Å
65I89.3Confident93.8Very high112 Ų11265.3 Ų65.357%0.57434%0.335SS*.THydrogen-bonded Turntrans-104.8-30.1-170-49.5-58000112F61F61-I65 HydrophobicContact CD2-CB 3.88Å; F61-I65 HydrophobicContact CD2-CG1 3.62Å; F61-I65 HydrophobicContact CD2-CG2 4.37Å; F61-I65 HydrophobicContact CE2-CB 3.71Å; F61-I65 HydrophobicContact CE2-CG1 3.75Å; F61-I65 HydrophobicContact CE2-CG2 3.69Å; F61-I65 HydrophobicContact CG-CB 4.42Å; F61-I65 HydrophobicContact CG-CG1 4.42Å; F61-I65 HydrophobicContact CZ-CB 4.12Å; F61-I65 HydrophobicContact CZ-CG2 3.91Å; F61-I65 WeakPolarHBondContact O-CA 3.41Å; F61-I65 VanDerWaalsContact O-CB 3.29Å; F61-I65 WeakPolarHBondContact O-CB 3.4Å; F61-I65 PolarHBondContact O-N 3.32Å
66K90.7Very high93.8Very high93 Ų9365.5 Ų65.540%0.40434%0.336SS..SBendtrans-108.231.8179.4-62.3-179.7162.9164.20113.7F61 E62 G68 S69 I71F61-K66 HydrophobicContact CD1-CD 4.38Å; F61-K66 HydrophobicContact CE1-CD 3.99Å; F61-K66 HydrophobicContact CE1-CG 4.07Å; F61-K66 PolarHBondContact O-N 3.27Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 CarbonylContact O-C 3.2Å; E62-K66 WeakPolarHBondContact O-CA 3.47Å; E62-K66 PolarHBondContact O-N 3.45Å; K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.12Å; K66-S69 WeakPolarHBondContact CB-OG 3.21Å; K66-S69 VanDerWaalsContact O-CB 3.29Å; K66-S69 WeakPolarHBondContact O-CB 3.42Å; K66-S69 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-OG 2.65Å; K66-I71 HydrophobicContact CD-CD1 4.42Å
67N91.9Very high93.8Very high159 Ų15967.3 Ų67.385%0.8534%0.344SS*.THydrogen-bonded Turntrans51.237.9174.1-64.8-20.6000114.1S69N67-S69 PolarHBondContact O-N 3.29Å
68G91.1Very high93.8Very high28 Ų2873.3 Ų73.329%0.28937%0.367SS..THydrogen-bonded Turntrans69.130.6-178.900000114.2Q58 E62 L63 K66Q58-G68 PolarHBondContact NE2-O 3.34Å; E62-G68 WeakPolarHBondContact O-CA 3.47Å; E62-G68 PolarHBondContact O-N 3.33Å; L63-G68 PolarHBondContact O-N 3.23Å; K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.12Å
69S94.8Very high93.9Very high40 Ų4073.6 Ų73.628%0.2837%0.369SS..  trans-66.5151.9172.773.20000112.4Q58 E62 K66 N67Q58-S69 PolarHBondContact NE2-O 2.68Å; E62-S69 WeakPolarHBondContact CB-O 3.41Å; K66-S69 WeakPolarHBondContact CB-OG 3.21Å; K66-S69 VanDerWaalsContact O-CB 3.29Å; K66-S69 WeakPolarHBondContact O-CB 3.42Å; K66-S69 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-OG 2.65Å; N67-S69 PolarHBondContact O-N 3.29Å
70W97Very high94Very high57 Ų5777.2 Ų77.222%0.21639%0.392CS..  trans-104136.1171.8-73.880.8000109.8Q56 Q58 S97 R99Q56-W70 HydrophobicContact CB-CB 4.41Å; Q56-W70 HydrophobicContact CB-CE3 3.96Å; Q58-W70 HydrophobicContact CB-CD2 4.06Å; Q58-W70 HydrophobicContact CB-CE3 3.84Å; Q58-W70 HydrophobicContact CB-CH2 4.38Å; Q58-W70 HydrophobicContact CB-CZ3 4.01Å; W70-S97 WeakPolarHBondContact CZ3-O 3.38Å; W70-R99 VanDerWaalsContact CD1-CZ 3.48Å; W70-R99 HydrophobicContact CD2-CG 4.28Å; W70-R99 VanDerWaalsContact CD2-NE 3.33Å; W70-R99 VanDerWaalsContact CE2-NH1 3.3Å; W70-R99 HydrophobicContact CE3-CG 3.6Å; W70-R99 HydrophobicContact CH2-CB 4.09Å; W70-R99 HydrophobicContact CH2-CG 3.9Å; W70-R99 HydrophobicContact CZ3-CB 3.9Å; W70-R99 HydrophobicContact CZ3-CG 3.39Å
71I96.9Very high94.5Very high42 Ų4276.8 Ų76.822%0.21539%0.393CS..EExtended strand (participates in β ladder)trans-105.3137.3-179.1-53.1-60.3000109.4Q56 Y57 E62 K66Q56-I71 CarbonylContact C-O 3.52Å; Q56-I71 WeakPolarHBondContact CA-O 3.37Å; Q56-I71 VanDerWaalsContact CB-O 3.27Å; Q56-I71 WeakPolarHBondContact CB-O 3.31Å; Y57-I71 HydrophobicContact CD1-CB 4.34Å; Y57-I71 HydrophobicContact CE1-CB 3.88Å; Y57-I71 HydrophobicContact CE1-CG2 3.71Å; Y57-I71 HydrophobicContact CE2-CB 4.11Å; Y57-I71 HydrophobicContact CE2-CG2 4.4Å; Y57-I71 PolarHBondContact N-O 2.98Å; Y57-I71 PolarHBondContact O-N 3.18Å; Y57-I71 WeakPolarHBondContact OH-CG2 3.22Å; E62-I71 HydrophobicContact CG-CD1 4.13Å; E62-I71 HydrophobicContact CG-CG1 3.47Å; E62-I71 VanDerWaalsContact CG-CG1 3.47Å; K66-I71 HydrophobicContact CD-CD1 4.42Å
72N97.7Very high94.9Very high80 Ų8074 Ų7443%0.42839%0.385SS..EExtended strand (participates in β ladder)trans-73.3129.2172.7-71.8-32.3000109.7Q56 P74 Q77Q56-N72 VanDerWaalsContact CG-OD1 3.3Å; Q56-N72 WeakPolarHBondContact CG-OD1 3.4Å; Q56-N72 PolarHBondContact NE2-OD1 2.85Å; N72-P74 WeakPolarHBondContact O-CD 3.45Å; N72-Q77 HydrophobicContact CB-CG 4.36Å
73A97.9Very high95.2Very high0 Ų074.5 Ų74.50%039%0.39CS..  trans-71.4112.7161.700000107.6V55 Y57 E75 C76 Q77 L86V55-A73 HydrophobicContact CB-CB 4.34Å; V55-A73 HydrophobicContact CG1-CB 4.44Å; V55-A73 PolarHBondContact O-N 3.38Å; Y57-A73 HydrophobicContact CD1-CB 4.42Å; A73-E75 PolarHBondContact O-N 2.96Å; A73-C76 HydrophobicContact CB-CB 3.97Å; A73-C76 CarbonylContact O-C 3.5Å; A73-C76 PolarHBondContact O-N 2.89Å; A73-C76 VanDerWaalsContact O-N 3.13Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-NE2 2.04Å; A73-L86 HydrophobicContact CB-CD2 3.52Å
74P96.8Very high95.6Very high87 Ų8770.8 Ų70.857%0.56537%0.371SS*.G310 helixtrans-64.5-42.6-166.823.7-30.1000112N72 C76 D89N72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-C76 PolarHBondContact O-N 2.92Å; P74-D89 WeakPolarHBondContact CD-OD1 3.49Å
75E96.8Very high95.9Very high156 Ų15667.9 Ų67.973%0.72936%0.356SS*.G310 helixtrans-73.1-6.8179.1-60.1-53.5135.600113.5A73 I79A73-E75 PolarHBondContact O-N 2.96Å; E75-I79 WeakPolarHBondContact O-CG2 3.32Å
76C98.2Very high96.2Very high4 Ų462.6 Ų62.63%0.02733%0.329CS..G310 helixtrans-121.632.2-175.6-57.60000112.6S54 V55 A73 P74 I79 C84S54-C76 WeakPolarHBondContact CA-O 3.4Å; V55-C76 HydrophobicContact CB-CB 3.9Å; V55-C76 HydrophobicContact CG2-CB 4Å; V55-C76 PolarHBondContact N-O 2.95Å; A73-C76 HydrophobicContact CB-CB 3.97Å; A73-C76 CarbonylContact O-C 3.5Å; A73-C76 PolarHBondContact O-N 2.89Å; A73-C76 VanDerWaalsContact O-N 3.13Å; P74-C76 PolarHBondContact O-N 2.92Å; C76-I79 HydrophobicContact CB-CD1 4.2Å; C76-C84 HydrophobicContact CB-CB 3.78Å; C76-C84 WeakPolarHBondContact CB-SG 3.3Å; C76-C84 WeakPolarHBondContact SG-CB 3.35Å; C76-C84 CovalentContact SG-SG 2Å; C76-C84 PolarHBondContact SG-SG 2.93Å
77Q98.2Very high96.2Very high60 Ų6059.5 Ų59.528%0.2832%0.318SS..SBendtrans-96.8123.3170-63.2-48.1-52.600111.7S54 V55 N72 A73 I79S54-Q77 VanDerWaalsContact CB-OE1 3.28Å; S54-Q77 PolarHBondContact OG-OE1 3.29Å; V55-Q77 PolarHBondContact O-NE2 3.31Å; N72-Q77 HydrophobicContact CB-CG 4.36Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-NE2 2.04Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.41Å
78R96.8Very high96.1Very high160 Ų16061.3 Ų61.360%0.60432%0.319SS*.SBendtrans53.342.6178.3-60.3-178.2178150.11.7113.8L52 Y53 S54L52-R78 HydrophobicContact CB-CB 4.32Å; L52-R78 HydrophobicContact CD1-CB 4.2Å; Y53-R78 CarbonylContact O-C 3.59Å; Y53-R78 WeakPolarHBondContact O-CA 2.99Å; Y53-R78 PolarHBondContact O-N 2.86Å; S54-R78 PolarHBondContact OG-N 3.05Å
79I97.8Very high96.2Very high24 Ų2461.1 Ų61.112%0.12331%0.311CS..BIsolated β-bridgetrans-84.2145.8176.960.9172.5000111.1W40 L52 Y53 E75 C76 Q77 L81 S83 C84W40-I79 HydrophobicContact CH2-CD1 4.22Å; W40-I79 HydrophobicContact CZ2-CD1 4.43Å; L52-I79 CarbonylContact C-O 3.53Å; L52-I79 WeakPolarHBondContact CA-O 3.11Å; Y53-I79 WeakPolarHBondContact CD2-O 3.44Å; Y53-I79 PolarHBondContact N-O 3.42Å; Y53-I79 PolarHBondContact O-N 3.38Å; E75-I79 WeakPolarHBondContact O-CG2 3.32Å; C76-I79 HydrophobicContact CB-CD1 4.2Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.41Å; I79-L81 VanDerWaalsContact C-N 3.32Å; I79-L81 HydrophobicContact CD1-CB 4.47Å; I79-S83 WeakPolarHBondContact CD1-O 3.28Å; I79-C84 HydrophobicContact CD1-CB 4.18Å
80P95.8Very high96Very high76 Ų7659.2 Ų59.249%0.49430%0.298SS..SBendtrans-81.3-14.3174.632.5-35.6000112.9T50 L52T50-P80 HydrophobicContact CG2-CB 3.97Å; L52-P80 HydrophobicContact CD2-CB 4.11Å
81L97.3Very high95.1Very high103 Ų10359 Ų5954%0.53931%0.313SS..SBendtrans-74.6146.4-178.9-63.892.8000110.9W40 Y53 I79 S83W40-L81 VanDerWaalsContact CZ2-O 3.32Å; W40-L81 WeakPolarHBondContact CZ2-O 3.14Å; Y53-L81 VanDerWaalsContact CD2-O 3.3Å; Y53-L81 WeakPolarHBondContact CD2-O 3.46Å; I79-L81 VanDerWaalsContact C-N 3.32Å; I79-L81 HydrophobicContact CD1-CB 4.47Å; L81-S83 PolarHBondContact O-N 2.93Å
82T97.1Very high94.3Very high55 Ų5559.7 Ų59.734%0.33732%0.322SS..SBendtrans-89.525.6173.560.20000112.6W40 Q42 Y53W40-T82 PolarHBondContact N-O 3.11Å; W40-T82 WeakPolarHBondContact O-CB 3.37Å; Q42-T82 HydrophobicContact CB-CG2 4.43Å; Y53-T82 HydrophobicContact CE2-CG2 3.95Å
83S97.9Very high93.3Very high27 Ų2758.1 Ų58.119%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-151.2150.9178.159.30000111L38 I79 L81L38-S83 CarbonylContact O-C 3.57Å; L38-S83 WeakPolarHBondContact O-CA 3.42Å; I79-S83 WeakPolarHBondContact CD1-O 3.28Å; L81-S83 PolarHBondContact O-N 2.93Å
84C98.1Very high92.6Very high4 Ų458.4 Ų58.43%0.02732%0.315CS..EExtended strand (participates in β ladder)trans-143.2130.9-179.1162.50000109.7V37 L38 W40 V55 C76 I79 L86V37-C84 CarbonylContact C-O 3.55Å; V37-C84 WeakPolarHBondContact CA-O 3.29Å; L38-C84 PolarHBondContact N-O 3.33Å; L38-C84 PolarHBondContact O-N 3.33Å; W40-C84 HydrophobicContact CH2-CB 3.78Å; W40-C84 HydrophobicContact CZ3-CB 3.95Å; V55-C84 HydrophobicContact CG2-CB 4.04Å; C76-C84 HydrophobicContact CB-CB 3.78Å; C76-C84 WeakPolarHBondContact CB-SG 3.3Å; C76-C84 WeakPolarHBondContact SG-CB 3.35Å; C76-C84 CovalentContact SG-SG 2Å; C76-C84 PolarHBondContact SG-SG 2.93Å; I79-C84 HydrophobicContact CD1-CB 4.18Å; C84-L86 WeakPolarHBondContact SG-CD2 3.37Å
85D96.4Very high92.2Very high59 Ų5959.1 Ų59.132%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-85.6113.8173.5-162.8-37000108.9R35 V37 T87R35-D85 IonicContact CZ-OD2 3.13Å; R35-D85 IonicContact NE-OD2 3.45Å; R35-D85 PolarHBondContact NE-OD2 2.8Å; R35-D85 IonicContact NH2-OD2 2.73Å; R35-D85 PolarHBondContact NH2-OD2 2.93Å; V37-D85 HydrophobicContact CG2-CB 4.44Å; D85-T87 WeakPolarHBondContact OD1-CB 3.4Å; D85-T87 PolarHBondContact OD1-N 3.27Å; D85-T87 VanDerWaalsContact OD1-N 3.07Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å
86L96.3Very high92.1Very high0 Ų052.4 Ų52.40%028%0.283CS..  trans-105.714.3-177.6-66175.3000111.9H36 L38 V55 A73 C84 F88 D89 L90 L98H36-L86 PolarHBondContact O-N 2.81Å; L38-L86 HydrophobicContact CB-CD1 3.85Å; L38-L86 HydrophobicContact CD2-CD1 4.14Å; V55-L86 HydrophobicContact CG1-CD1 4.2Å; V55-L86 HydrophobicContact CG1-CD2 4.1Å; A73-L86 HydrophobicContact CB-CD2 3.52Å; C84-L86 WeakPolarHBondContact SG-CD2 3.37Å; L86-F88 PolarHBondContact O-N 3.38Å; L86-F88 VanDerWaalsContact O-N 3.16Å; L86-D89 HydrophobicContact CB-CB 4.37Å; L86-D89 HydrophobicContact CD2-CB 4.14Å; L86-D89 WeakPolarHBondContact CD2-OD2 3.49Å; L86-D89 PolarHBondContact O-N 2.82Å; L86-D89 VanDerWaalsContact O-N 3.1Å; L86-L90 HydrophobicContact CB-CD1 3.88Å; L86-L90 HydrophobicContact CB-CG 3.96Å; L86-L90 HydrophobicContact CD1-CD1 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.04Å; L86-L98 HydrophobicContact CD1-CD1 3.95Å; L86-L98 HydrophobicContact CD1-CD2 4.06Å
87T90.3Very high92Very high29 Ų2954.5 Ų54.518%0.17830%0.298CS..THydrogen-bonded Turntrans-54.6-39.3-173.1-60.10000113M34 R35 H36 D85M34-T87 WeakPolarHBondContact O-CG2 3.34Å; R35-T87 WeakPolarHBondContact CA-OG1 3.4Å; H36-T87 PolarHBondContact N-OG1 2.85Å; D85-T87 WeakPolarHBondContact OD1-CB 3.4Å; D85-T87 PolarHBondContact OD1-N 3.27Å; D85-T87 VanDerWaalsContact OD1-N 3.07Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å
88F89.1Confident91.9Very high196 Ų19651.7 Ų51.786%0.8628%0.284SS*.THydrogen-bonded Turntrans-86.9-26.6179.6-66.1-70.7000113.5L86L86-F88 PolarHBondContact O-N 3.38Å; L86-F88 VanDerWaalsContact O-N 3.16Å
89D93.1Very high92Very high24 Ų2446.2 Ų46.213%0.12826%0.264CS..THydrogen-bonded Turntrans-69.6-36.3176.5-63-74.3000111.7Y57 P74 L86 G91Y57-D89 HydrophobicContact CD1-CB 4.03Å; Y57-D89 HydrophobicContact CE1-CB 3.76Å; P74-D89 WeakPolarHBondContact CD-OD1 3.49Å; L86-D89 HydrophobicContact CB-CB 4.37Å; L86-D89 HydrophobicContact CD2-CB 4.14Å; L86-D89 WeakPolarHBondContact CD2-OD2 3.49Å; L86-D89 PolarHBondContact O-N 2.82Å; L86-D89 VanDerWaalsContact O-N 3.1Å; D89-G91 VanDerWaalsContact C-N 3.34Å; D89-G91 PolarHBondContact O-N 3.01Å
90L90.7Very high92Very high0 Ų045 Ų450%026%0.258CS..  trans-9564.8-177.8-50.6179.9000110.4M29 H36 Y57 L86 Y96 L98 F116 R118M29-L90 HydrophobicContact CE-CD1 3.53Å; H36-L90 HydrophobicContact CB-CD1 4.27Å; Y57-L90 HydrophobicContact CD2-CD2 4.27Å; Y57-L90 HydrophobicContact CG-CD2 4.25Å; L86-L90 HydrophobicContact CB-CD1 3.88Å; L86-L90 HydrophobicContact CB-CG 3.96Å; L86-L90 HydrophobicContact CD1-CD1 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.04Å; L90-Y96 HydrophobicContact CB-CD2 4.45Å; L90-Y96 HydrophobicContact CB-CE2 4.1Å; L90-Y96 HydrophobicContact CD2-CD1 3.47Å; L90-Y96 VanDerWaalsContact CD2-CD1 3.47Å; L90-Y96 HydrophobicContact CD2-CD2 4.16Å; L90-Y96 HydrophobicContact CD2-CE1 3.72Å; L90-Y96 HydrophobicContact CD2-CE2 4.35Å; L90-Y96 HydrophobicContact CD2-CG 3.71Å; L90-L98 HydrophobicContact CD1-CD2 4.38Å; L90-L98 HydrophobicContact CD2-CD2 3.87Å; L90-F116 HydrophobicContact CD1-CD1 3.74Å; L90-F116 HydrophobicContact CD1-CE1 3.67Å; L90-R118 PolarHBondContact O-NE 3.04Å; L90-R118 PolarHBondContact O-NH2 3.39Å
91G78.8Confident92.1Very high52 Ų5244.4 Ų44.454%0.53625%0.245SC..  trans-74.1-25.6-170.500000115.7D89 Y96 R118D89-G91 VanDerWaalsContact C-N 3.34Å; D89-G91 PolarHBondContact O-N 3.01Å; G91-Y96 PolarHBondContact N-OH 3.01Å; G91-R118 PolarHBondContact O-NH1 2.96Å
92S79.7Confident92.1Very high57 Ų5739.5 Ų39.540%0.39922%0.22SC..SBendtrans-104.7154.6-176.992.80000112.8S94 Y96 R118S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.82Å; S92-S94 WeakPolarHBondContact OG-CB 3.49Å; S92-S94 PolarHBondContact OG-OG 2.94Å; S92-Y96 PolarHBondContact N-OH 2.87Å; S92-Y96 WeakPolarHBondContact O-CE2 3.3Å; S92-Y96 PolarHBondContact O-OH 2.86Å; S92-Y96 PolarHBondContact OG-OH 2.81Å; S92-R118 WeakPolarHBondContact O-CD 3.27Å
93D77Confident92Very high47 Ų4738.4 Ų38.425%0.25121%0.211SC..SBendtrans-82.571.8178.3-67.9-19.6000109.3R118 N119 T147D93-R118 WeakPolarHBondContact OD1-CD 3.06Å; D93-R118 IonicContact OD1-CZ 2.75Å; D93-R118 IonicContact OD1-NE 3.62Å; D93-R118 IonicContact OD1-NH1 3.96Å; D93-R118 PolarHBondContact OD1-NH1 3.02Å; D93-N119 WeakPolarHBondContact CA-OD1 3.19Å; D93-N119 VanDerWaalsContact CB-OD1 3.23Å; D93-N119 WeakPolarHBondContact CB-OD1 3.09Å; D93-N119 PolarHBondContact O-ND2 2.87Å; D93-N119 VanDerWaalsContact O-ND2 3.07Å; D93-N119 PolarHBondContact O-OD1 2.82Å; D93-T147 WeakPolarHBondContact OD2-CB 3.02Å; D93-T147 WeakPolarHBondContact OD2-CG2 3.32Å; D93-T147 PolarHBondContact OD2-OG1 2.83Å
94S82.6Confident91.7Very high6 Ų638 Ų384%0.04221%0.208CC..SBendtrans-144178.1-173.369.10000113.8S92 Y96 R118S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.82Å; S92-S94 WeakPolarHBondContact OG-CB 3.49Å; S92-S94 PolarHBondContact OG-OG 2.94Å; S94-Y96 WeakPolarHBondContact O-CD2 3.18Å; S94-Y96 WeakPolarHBondContact OG-CE2 3.5Å; S94-R118 PolarHBondContact O-N 3.09Å
95D89.2Confident91.3Very high103 Ų10340 Ų4055%0.55123%0.229SC*.EExtended strand (participates in β ladder)trans-76.3130.6169.9-74.4-47.4000111.3N117D95-N117 WeakPolarHBondContact OD1-CB 3.36Å; D95-N117 PolarHBondContact OD1-ND2 3.29Å
96Y93.8Very high90.9Very high15 Ų1542.8 Ų42.86%0.05925%0.253CS..EExtended strand (participates in β ladder)trans-120.5139.7175.6-72.1-87.7000111.4Y57 Q58 G59 L90 G91 S92 S94 F116Y57-Y96 HydrophobicContact CD2-CD1 4.27Å; Y57-Y96 HydrophobicContact CD2-CE1 4.23Å; Q58-Y96 WeakPolarHBondContact O-CA 3.45Å; G59-Y96 VanDerWaalsContact CA-CD1 3.47Å; L90-Y96 HydrophobicContact CB-CD2 4.45Å; L90-Y96 HydrophobicContact CB-CE2 4.1Å; L90-Y96 HydrophobicContact CD2-CD1 3.47Å; L90-Y96 VanDerWaalsContact CD2-CD1 3.47Å; L90-Y96 HydrophobicContact CD2-CD2 4.16Å; L90-Y96 HydrophobicContact CD2-CE1 3.72Å; L90-Y96 HydrophobicContact CD2-CE2 4.35Å; L90-Y96 HydrophobicContact CD2-CG 3.71Å; G91-Y96 PolarHBondContact N-OH 3.01Å; S92-Y96 PolarHBondContact N-OH 2.87Å; S92-Y96 WeakPolarHBondContact O-CE2 3.3Å; S92-Y96 PolarHBondContact O-OH 2.86Å; S92-Y96 PolarHBondContact OG-OH 2.81Å; S94-Y96 WeakPolarHBondContact O-CD2 3.18Å; S94-Y96 WeakPolarHBondContact OG-CE2 3.5Å; Y96-F116 PolarHBondContact N-O 3.41Å; Y96-F116 PolarHBondContact O-N 3.32Å
97S95.8Very high90.6Very high48 Ų4847.5 Ų47.534%0.33627%0.274SS..EExtended strand (participates in β ladder)trans-99.4121.9161.4-71.10000109.1Y57 Q58 W70Y57-S97 CarbonylContact C-O 3.6Å; Y57-S97 WeakPolarHBondContact CA-O 3.34Å; Q58-S97 PolarHBondContact N-O 2.87Å; Q58-S97 PolarHBondContact O-N 3.06Å; W70-S97 WeakPolarHBondContact CZ3-O 3.38Å
98L97.7Very high90.7Very high1 Ų149.9 Ų49.91%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-106.2150.1176.9-52.3179.5000109.5M29 L38 L86 L90 K113 F114 F116M29-L98 HydrophobicContact CE-CD1 3.67Å; L38-L98 HydrophobicContact CD1-CD1 3.79Å; L38-L98 HydrophobicContact CD2-CB 4.4Å; L38-L98 HydrophobicContact CD2-CD1 4.44Å; L86-L98 HydrophobicContact CD1-CD1 3.95Å; L86-L98 HydrophobicContact CD1-CD2 4.06Å; L90-L98 HydrophobicContact CD1-CD2 4.38Å; L90-L98 HydrophobicContact CD2-CD2 3.87Å; L98-K113 CarbonylContact O-C 3.52Å; L98-K113 VanDerWaalsContact O-CA 3.3Å; L98-K113 WeakPolarHBondContact O-CA 3.24Å; L98-F114 HydrophobicContact CB-CB 4.45Å; L98-F114 WeakPolarHBondContact CB-O 3.3Å; L98-F114 HydrophobicContact CD1-CD1 4.25Å; L98-F114 PolarHBondContact N-O 3.42Å; L98-F114 PolarHBondContact O-N 2.81Å; L98-F116 HydrophobicContact CD1-CB 4.01Å; L98-F116 HydrophobicContact CG-CB 4.41Å
99R98.1Very high91Very high44 Ų4441 Ų4117%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-146.4145.2169.567.7-177.7-171.8-169.60.4112.9V55 Q56 W70 W111 A112 K113V55-R99 CarbonylContact C-O 3.56Å; V55-R99 WeakPolarHBondContact CA-O 3.39Å; Q56-R99 HydrophobicContact CB-CG 3.84Å; Q56-R99 PolarHBondContact N-O 2.85Å; Q56-R99 PolarHBondContact O-N 2.96Å; W70-R99 VanDerWaalsContact CD1-CZ 3.48Å; W70-R99 HydrophobicContact CD2-CG 4.28Å; W70-R99 VanDerWaalsContact CD2-NE 3.33Å; W70-R99 VanDerWaalsContact CE2-NH1 3.3Å; W70-R99 HydrophobicContact CE3-CG 3.6Å; W70-R99 HydrophobicContact CH2-CB 4.09Å; W70-R99 HydrophobicContact CH2-CG 3.9Å; W70-R99 HydrophobicContact CZ3-CB 3.9Å; W70-R99 HydrophobicContact CZ3-CG 3.39Å; R99-W111 HydrophobicContact CB-CB 4.28Å; R99-W111 HydrophobicContact CB-CD2 4.36Å; R99-W111 HydrophobicContact CB-CE3 3.8Å; R99-W111 HydrophobicContact CB-CZ3 4.48Å; R99-W111 HydrophobicContact CG-CD2 3.85Å; R99-W111 HydrophobicContact CG-CE3 3.38Å; R99-W111 HydrophobicContact CG-CG 4.38Å; R99-W111 HydrophobicContact CG-CZ3 3.76Å; R99-A112 CarbonylContact C-O 3.51Å; R99-A112 WeakPolarHBondContact CA-O 3.5Å; R99-A112 WeakPolarHBondContact CB-O 3.45Å; R99-K113 HydrophobicContact CB-CG 4.25Å
100V98.5Very high91.1Very high0 Ų042.7 Ų42.70%026%0.263CS..EExtended strand (participates in β ladder)trans-129.7142.317759.70000110.3P24 V27 W40 Y53 S54 V55 W111 A112P24-V100 HydrophobicContact CB-CG1 3.96Å; P24-V100 HydrophobicContact CG-CG1 4Å; P24-V100 HydrophobicContact CG-CG2 4.2Å; V27-V100 HydrophobicContact CG2-CG1 3.97Å; W40-V100 HydrophobicContact CB-CG1 4.4Å; W40-V100 HydrophobicContact CD2-CB 4.46Å; W40-V100 HydrophobicContact CD2-CG1 4.19Å; W40-V100 HydrophobicContact CD2-CG2 3.84Å; W40-V100 HydrophobicContact CE3-CB 4.39Å; W40-V100 HydrophobicContact CE3-CG1 4.27Å; W40-V100 HydrophobicContact CE3-CG2 4.08Å; W40-V100 HydrophobicContact CG-CG1 4.26Å; W40-V100 HydrophobicContact CG-CG2 4.41Å; W40-V100 HydrophobicContact CH2-CG2 4.14Å; W40-V100 HydrophobicContact CZ2-CG2 3.9Å; W40-V100 HydrophobicContact CZ3-CG2 4.23Å; Y53-V100 HydrophobicContact CD1-CG2 4.38Å; S54-V100 WeakPolarHBondContact O-CA 3.13Å; V55-V100 HydrophobicContact CG2-CB 4.25Å; V55-V100 HydrophobicContact CG2-CG2 3.99Å; V100-W111 VanDerWaalsContact C-CE3 3.43Å; V100-A112 HydrophobicContact CG1-CB 4.15Å; V100-A112 PolarHBondContact N-O 2.97Å; V100-A112 PolarHBondContact O-N 2.83Å
101R97.1Very high91.4Very high62 Ų6245.9 Ų45.923%0.23428%0.275CS..EExtended strand (participates in β ladder)trans-129.6152.7172.168.3175.6178-177.6-0110.5Y53 S54 M108 W111Y53-R101 VanDerWaalsContact CA-O 3.31Å; Y53-R101 WeakPolarHBondContact CA-O 3.36Å; S54-R101 PolarHBondContact N-O 2.81Å; S54-R101 VanDerWaalsContact N-O 3.08Å; S54-R101 PolarHBondContact O-N 2.83Å; S54-R101 VanDerWaalsContact O-N 3.07Å; R101-M108 PolarHBondContact NH1-SD 2.81Å; R101-M108 VanDerWaalsContact NH1-SD 3.37Å; R101-W111 HydrophobicContact CB-CD2 3.89Å; R101-W111 HydrophobicContact CB-CE3 3.63Å; R101-W111 HydrophobicContact CB-CH2 4.39Å; R101-W111 HydrophobicContact CB-CZ3 3.92Å; R101-W111 VanDerWaalsContact CD-CZ2 3.46Å; R101-W111 HydrophobicContact CG-CD2 4.18Å; R101-W111 HydrophobicContact CG-CE3 3.86Å; R101-W111 HydrophobicContact CG-CH2 3.68Å; R101-W111 HydrophobicContact CG-CZ2 3.99Å; R101-W111 HydrophobicContact CG-CZ3 3.62Å
102A96.6Very high92.3Very high0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-96.9151.2172.400000110.7L21 P24 P43 V51 L52 Y53 M108 S109L21-A102 HydrophobicContact CD2-CB 3.7Å; L21-A102 WeakPolarHBondContact CD2-O 3.34Å; L21-A102 HydrophobicContact CG-CB 4.4Å; P24-A102 HydrophobicContact CG-CB 4.25Å; P43-A102 HydrophobicContact CG-CB 4Å; V51-A102 HydrophobicContact CG1-CB 3.85Å; L52-A102 CarbonylContact O-C 3.54Å; L52-A102 WeakPolarHBondContact O-CA 3.33Å; Y53-A102 HydrophobicContact CD1-CB 4.02Å; Y53-A102 HydrophobicContact CE1-CB 3.8Å; A102-M108 WeakPolarHBondContact O-CA 3.47Å; A102-S109 PolarHBondContact N-OG 2.64Å; A102-S109 PolarHBondContact O-N 2.73Å; A102-S109 PolarHBondContact O-OG 2.75Å
103Q94.5Very high93.1Very high32 Ų3248.6 Ų48.615%0.1527%0.268CS..EExtended strand (participates in β ladder)trans-133.6129.5173.2-177.7178.4-1100109.2V51 L52 G105 K107 M108V51-Q103 WeakPolarHBondContact CA-O 3.09Å; L52-Q103 PolarHBondContact N-O 3.34Å; L52-Q103 PolarHBondContact O-N 2.94Å; Q103-G105 WeakPolarHBondContact CG-O 3.33Å; Q103-G105 PolarHBondContact NE2-O 2.91Å; Q103-K107 CarbonylContact C-O 3.55Å; Q103-K107 VanDerWaalsContact CA-O 3.31Å; Q103-K107 WeakPolarHBondContact CA-O 3.26Å; Q103-M108 HydrophobicContact CB-CG 4.45Å; Q103-M108 HydrophobicContact CG-CG 4.16Å
104C92.7Very high94Very high19 Ų1948.7 Ų48.713%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-123.9100.7175.3173.70000107.9L21 C47 S106 K107L21-C104 HydrophobicContact CD1-CB 3.92Å; L21-C104 HydrophobicContact CD2-CB 3.85Å; C47-C104 VanDerWaalsContact CA-SG 3.52Å; C47-C104 HydrophobicContact CB-CB 4.03Å; C47-C104 WeakPolarHBondContact CB-SG 3.34Å; C47-C104 WeakPolarHBondContact SG-CB 3.48Å; C47-C104 CovalentContact SG-SG 2.02Å; C47-C104 PolarHBondContact SG-SG 3.46Å; C104-S106 PolarHBondContact O-N 2.82Å; C104-K107 PolarHBondContact N-O 2.94Å; C104-K107 WeakPolarHBondContact O-CB 2.88Å; C104-K107 PolarHBondContact O-N 2.93Å
105G88.8Confident94.6Very high46 Ų4653.4 Ų53.447%0.47430%0.296SS..THydrogen-bonded Turntrans57.9-118.9-169.800000111.6Q103Q103-G105 WeakPolarHBondContact CG-O 3.33Å; Q103-G105 PolarHBondContact NE2-O 2.91Å
106S88.2Confident94.7Very high117 Ų11749.4 Ų49.482%0.81827%0.274SS*.THydrogen-bonded Turntrans-86.2-13.3175.556.50000114.2C104C104-S106 PolarHBondContact O-N 2.82Å
107K89.9Confident94.4Very high99 Ų9950.7 Ų50.743%0.4328%0.282SS..EExtended strand (participates in β ladder)trans-82.3131.1-178.5-63.1-174.7176.6-170.50110.3W19 Q103 C104W19-K107 PolarHBondContact O-NZ 2.92Å; Q103-K107 CarbonylContact C-O 3.55Å; Q103-K107 VanDerWaalsContact CA-O 3.31Å; Q103-K107 WeakPolarHBondContact CA-O 3.26Å; C104-K107 PolarHBondContact N-O 2.94Å; C104-K107 WeakPolarHBondContact O-CB 2.88Å; C104-K107 PolarHBondContact O-N 2.93Å
108M92.7Very high93.7Very high80 Ų8049.7 Ų49.739%0.39427%0.271SS..EExtended strand (participates in β ladder)trans-114.5146.2174.4-63.6-176.4-176.200110.1R101 A102 Q103R101-M108 PolarHBondContact NH1-SD 2.81Å; R101-M108 VanDerWaalsContact NH1-SD 3.37Å; A102-M108 WeakPolarHBondContact O-CA 3.47Å; Q103-M108 HydrophobicContact CB-CG 4.45Å; Q103-M108 HydrophobicContact CG-CG 4.16Å
109S95Very high92.4Very high10 Ų1051.4 Ų51.47%0.0728%0.28CS..PPolyproline II helixtrans-83166.9171.975.50000111.8L21 P22 A102L21-S109 VanDerWaalsContact O-CA 3.23Å; L21-S109 WeakPolarHBondContact O-CA 3.17Å; L21-S109 WeakPolarHBondContact O-CB 3.24Å; P22-S109 VanDerWaalsContact O-CB 3.23Å; P22-S109 WeakPolarHBondContact O-CB 3.32Å; A102-S109 PolarHBondContact N-OG 2.64Å; A102-S109 PolarHBondContact O-N 2.73Å; A102-S109 PolarHBondContact O-OG 2.75Å
110A95.6Very high91.1Very high58 Ų5855.7 Ų55.748%0.47931%0.306SS..PPolyproline II helixtrans-60.2162.315800000111A23A23-A110 HydrophobicContact CB-CB 4.46Å; A23-A110 WeakPolarHBondContact CB-O 3.36Å
111W97.2Very high89.9Confident67 Ų6756.5 Ų56.525%0.25431%0.31SS..PPolyproline II helixtrans-80.6127.9176.2-69.7102.4000111.1S54 Q56 R99 V100 R101S54-W111 WeakPolarHBondContact O-CZ3 3.24Å; Q56-W111 HydrophobicContact CB-CH2 4.33Å; Q56-W111 HydrophobicContact CB-CZ3 4.4Å; Q56-W111 HydrophobicContact CG-CH2 3.74Å; Q56-W111 HydrophobicContact CG-CZ2 4.45Å; Q56-W111 HydrophobicContact CG-CZ3 4.26Å; R99-W111 HydrophobicContact CB-CB 4.28Å; R99-W111 HydrophobicContact CB-CD2 4.36Å; R99-W111 HydrophobicContact CB-CE3 3.8Å; R99-W111 HydrophobicContact CB-CZ3 4.48Å; R99-W111 HydrophobicContact CG-CD2 3.85Å; R99-W111 HydrophobicContact CG-CE3 3.38Å; R99-W111 HydrophobicContact CG-CG 4.38Å; R99-W111 HydrophobicContact CG-CZ3 3.76Å; V100-W111 VanDerWaalsContact C-CE3 3.43Å; R101-W111 HydrophobicContact CB-CD2 3.89Å; R101-W111 HydrophobicContact CB-CE3 3.63Å; R101-W111 HydrophobicContact CB-CH2 4.39Å; R101-W111 HydrophobicContact CB-CZ3 3.92Å; R101-W111 VanDerWaalsContact CD-CZ2 3.46Å; R101-W111 HydrophobicContact CG-CD2 4.18Å; R101-W111 HydrophobicContact CG-CE3 3.86Å; R101-W111 HydrophobicContact CG-CH2 3.68Å; R101-W111 HydrophobicContact CG-CZ2 3.99Å; R101-W111 HydrophobicContact CG-CZ3 3.62Å
112A97.3Very high88.7Confident14 Ų1457.9 Ų57.912%0.11633%0.326CS..EExtended strand (participates in β ladder)trans-86.2126.6163.400000108.7A23 P24 V27 R99 V100A23-A112 HydrophobicContact CB-CB 4.41Å; P24-A112 HydrophobicContact CB-CB 4.22Å; V27-A112 HydrophobicContact CG2-CB 3.78Å; R99-A112 CarbonylContact C-O 3.51Å; R99-A112 WeakPolarHBondContact CA-O 3.5Å; R99-A112 WeakPolarHBondContact CB-O 3.45Å; V100-A112 HydrophobicContact CG1-CB 4.15Å; V100-A112 PolarHBondContact N-O 2.97Å; V100-A112 PolarHBondContact O-N 2.83Å
113K97Very high87.7Confident153 Ų15358.1 Ų58.167%0.66533%0.328SS*.EExtended strand (participates in β ladder)trans-103.5149.4-177.1-63.6-178.8-178.4178.40111.1L98 R99L98-K113 CarbonylContact O-C 3.52Å; L98-K113 VanDerWaalsContact O-CA 3.3Å; L98-K113 WeakPolarHBondContact O-CA 3.24Å; R99-K113 HydrophobicContact CB-CG 4.25Å
114F96.6Very high87Confident49 Ų4957.6 Ų57.622%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-145.5122177-176.8-94.5000110.5V27 M29 L38 L98 F116V27-F114 HydrophobicContact CB-CB 4.14Å; V27-F114 HydrophobicContact CB-CD2 4.21Å; V27-F114 HydrophobicContact CB-CG 4.44Å; V27-F114 HydrophobicContact CG1-CB 3.64Å; V27-F114 HydrophobicContact CG1-CD2 4.17Å; V27-F114 HydrophobicContact CG1-CG 3.97Å; V27-F114 VanDerWaalsContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CE2 3.3Å; M29-F114 HydrophobicContact CB-CE1 3.62Å; M29-F114 HydrophobicContact CB-CZ 4.04Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å; L98-F114 HydrophobicContact CB-CB 4.45Å; L98-F114 WeakPolarHBondContact CB-O 3.3Å; L98-F114 HydrophobicContact CD1-CD1 4.25Å; L98-F114 PolarHBondContact N-O 3.42Å; L98-F114 PolarHBondContact O-N 2.81Å; F114-F116 HydrophobicContact CD1-CB 4.29Å; F114-F116 HydrophobicContact CE1-CB 4.11Å
115P94.9Very high86.8Confident104 Ų10460.3 Ų60.368%0.67534%0.342SS*.EExtended strand (participates in β ladder)trans-79.1140.1172.432.5-32.6000110.6
116F91.6Very high86.8Confident20 Ų2058.3 Ų58.39%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-140.9128.2178.2173.1-112.7000110.2M29 H36 L90 Y96 L98 F114 R118 I121M29-F116 HydrophobicContact CB-CD2 4.01Å; M29-F116 HydrophobicContact CB-CE2 4.28Å; M29-F116 HydrophobicContact CE-CB 4.4Å; M29-F116 HydrophobicContact CE-CD1 3.57Å; M29-F116 HydrophobicContact CE-CD2 3.86Å; M29-F116 HydrophobicContact CE-CE1 3.58Å; M29-F116 HydrophobicContact CE-CE2 3.89Å; M29-F116 HydrophobicContact CE-CG 3.67Å; M29-F116 HydrophobicContact CE-CZ 3.7Å; M29-F116 HydrophobicContact CG-CD2 3.72Å; M29-F116 HydrophobicContact CG-CE2 3.58Å; M29-F116 HydrophobicContact CG-CG 4.43Å; M29-F116 HydrophobicContact CG-CZ 4.17Å; H36-F116 AromaticContact CG-CZ 3.98Å; H36-F116 AromaticContact ND1-CZ 3.5Å; H36-F116 WeakPolarHBondContact ND1-CZ 3.43Å; L90-F116 HydrophobicContact CD1-CD1 3.74Å; L90-F116 HydrophobicContact CD1-CE1 3.67Å; Y96-F116 PolarHBondContact N-O 3.41Å; Y96-F116 PolarHBondContact O-N 3.32Å; L98-F116 HydrophobicContact CD1-CB 4.01Å; L98-F116 HydrophobicContact CG-CB 4.41Å; F114-F116 HydrophobicContact CD1-CB 4.29Å; F114-F116 HydrophobicContact CE1-CB 4.11Å; F116-R118 HydrophobicContact CE1-CB 4.03Å; F116-R118 HydrophobicContact CE1-CG 4.35Å; F116-R118 HydrophobicContact CZ-CB 4.46Å; F116-I121 HydrophobicContact CE2-CD1 3.86Å; F116-I121 HydrophobicContact CZ-CD1 3.48Å; F116-I121 VanDerWaalsContact CZ-CD1 3.48Å
117N86.4Confident86.8Confident42 Ų4258 Ų5823%0.22531%0.307CS..EExtended strand (participates in β ladder)trans-111.2115.3175.3-176.8-43.3000108.5D95 N119 N120D95-N117 WeakPolarHBondContact OD1-CB 3.36Å; D95-N117 PolarHBondContact OD1-ND2 3.29Å; N117-N119 PolarHBondContact O-N 3.5Å; N117-N119 VanDerWaalsContact OD1-CA 3.3Å; N117-N119 WeakPolarHBondContact OD1-CA 3.46Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.13Å; N117-N120 PolarHBondContact O-N 3.13Å; N117-N120 PolarHBondContact OD1-N 2.83Å
118R80.9Confident86.9Confident26 Ų2654.1 Ų54.110%0.09829%0.291CS..G310 helixtrans-71.5-20.9-179-164.1-175-174.4-152.318.1112.8H36 L90 G91 S92 D93 S94 F116 N120 I121H36-R118 PolarHBondContact NE2-NE 2.9Å; L90-R118 PolarHBondContact O-NE 3.04Å; L90-R118 PolarHBondContact O-NH2 3.39Å; G91-R118 PolarHBondContact O-NH1 2.96Å; S92-R118 WeakPolarHBondContact O-CD 3.27Å; D93-R118 WeakPolarHBondContact OD1-CD 3.06Å; D93-R118 IonicContact OD1-CZ 2.75Å; D93-R118 IonicContact OD1-NE 3.62Å; D93-R118 IonicContact OD1-NH1 3.96Å; D93-R118 PolarHBondContact OD1-NH1 3.02Å; S94-R118 PolarHBondContact O-N 3.09Å; F116-R118 HydrophobicContact CE1-CB 4.03Å; F116-R118 HydrophobicContact CE1-CG 4.35Å; F116-R118 HydrophobicContact CZ-CB 4.46Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 3.15Å; R118-I121 HydrophobicContact CB-CD1 4.42Å; R118-I121 HydrophobicContact CG-CD1 4.02Å; R118-I121 VanDerWaalsContact O-CD1 3.28Å; R118-I121 WeakPolarHBondContact O-CD1 3.38Å
119N72Confident87Confident37 Ų3759.1 Ų59.120%0.19831%0.305CS..G310 helixtrans-72.2-23.4179.9-60.9-29.6000113.3D93 N117 I121 L196D93-N119 WeakPolarHBondContact CA-OD1 3.19Å; D93-N119 VanDerWaalsContact CB-OD1 3.23Å; D93-N119 WeakPolarHBondContact CB-OD1 3.09Å; D93-N119 PolarHBondContact O-ND2 2.87Å; D93-N119 VanDerWaalsContact O-ND2 3.07Å; D93-N119 PolarHBondContact O-OD1 2.82Å; N117-N119 PolarHBondContact O-N 3.5Å; N117-N119 VanDerWaalsContact OD1-CA 3.3Å; N117-N119 WeakPolarHBondContact OD1-CA 3.46Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.13Å; N119-I121 PolarHBondContact O-N 2.94Å; N119-I121 VanDerWaalsContact O-N 3.15Å; N119-L196 HydrophobicContact CB-CD1 3.36Å; N119-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N119-L196 WeakPolarHBondContact OD1-CD1 3.3Å
120N70.3Confident87Confident135 Ų13559.7 Ų59.772%0.72231%0.308SS*.G310 helixtrans-83.820.4-177.3-74.7-8.2000113.7N117 R118N117-N120 PolarHBondContact O-N 3.13Å; N117-N120 PolarHBondContact OD1-N 2.83Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 3.15Å
121I73Confident86.9Confident16 Ų1660.6 Ų60.68%0.08231%0.308CS..  trans-110.3126.3-172.2-57.7158.8000110.2S31 F116 R118 N119 P123 V198S31-I121 WeakPolarHBondContact OG-CD1 3.25Å; S31-I121 WeakPolarHBondContact OG-CG1 3.2Å; F116-I121 HydrophobicContact CE2-CD1 3.86Å; F116-I121 HydrophobicContact CZ-CD1 3.48Å; F116-I121 VanDerWaalsContact CZ-CD1 3.48Å; R118-I121 HydrophobicContact CB-CD1 4.42Å; R118-I121 HydrophobicContact CG-CD1 4.02Å; R118-I121 VanDerWaalsContact O-CD1 3.28Å; R118-I121 WeakPolarHBondContact O-CD1 3.38Å; N119-I121 PolarHBondContact O-N 2.94Å; N119-I121 VanDerWaalsContact O-N 3.15Å; I121-P123 WeakPolarHBondContact O-CD 3.32Å; I121-V198 WeakPolarHBondContact O-CG1 3.23Å
122T71.1Confident86.7Confident92 Ų9259.3 Ų59.356%0.56431%0.312SS*.PPolyproline II helixtrans-65.4123.5172.4-51.10000110.1Q199T122-Q199 WeakPolarHBondContact CG2-O 3.32Å
123P75.8Confident86.3Confident5 Ų561.2 Ų61.23%0.03233%0.328CS..PPolyproline II helixtrans-65.8157.217824.5-31000111.5I121 V192 L194 S200I121-P123 WeakPolarHBondContact O-CD 3.32Å; P123-V192 HydrophobicContact CB-CB 4.32Å; P123-V192 HydrophobicContact CB-CG1 4.03Å; P123-V192 HydrophobicContact CG-CB 4.4Å; P123-V192 HydrophobicContact CG-CG1 4.29Å; P123-L194 HydrophobicContact CB-CD1 4.03Å; P123-L194 HydrophobicContact CB-CG 4.16Å; P123-L194 HydrophobicContact CG-CD1 4.12Å; P123-L194 HydrophobicContact CG-CG 4.1Å; P123-S200 VanDerWaalsContact O-CB 3.26Å; P123-S200 WeakPolarHBondContact O-CB 3.44Å
124P80.4Confident85.8Confident21 Ų2155 Ų5514%0.13631%0.307CS..PPolyproline II helixtrans-59.1147.7174.21.13.4000111.3N33 F144 S200N33-P124 HydrophobicContact CB-CB 3.93Å; N33-P124 HydrophobicContact CB-CG 3.8Å; N33-P124 WeakPolarHBondContact OD1-CA 3.11Å; N33-P124 VanDerWaalsContact OD1-CB 3.3Å; N33-P124 WeakPolarHBondContact OD1-CB 3.23Å; P124-F144 HydrophobicContact CG-CE1 4.08Å; P124-S200 WeakPolarHBondContact O-CB 3.3Å
125V87.5Confident85.5Confident75 Ų7555 Ų5546%0.45531%0.309SS..PPolyproline II helixtrans-63.5129.9162.41770000108.2T203V125-T203 HydrophobicContact CG1-CG2 3.74Å
126P89.3Confident85.4Confident5 Ų551.6 Ų51.63%0.03229%0.286CS..PPolyproline II helixtrans-70.3144.7-175.426.2-31.6000112.4V141 F144 A190 V192 T203P126-V141 HydrophobicContact CB-CG1 4Å; P126-F144 HydrophobicContact CB-CE2 3.77Å; P126-F144 HydrophobicContact CB-CZ 3.73Å; P126-A190 HydrophobicContact CG-CB 4.15Å; P126-V192 HydrophobicContact CB-CG2 3.94Å; P126-V192 HydrophobicContact CG-CG2 3.95Å; P126-T203 HydrophobicContact CG-CG2 3.75Å; P126-T203 WeakPolarHBondContact O-CG2 3.34Å
127E89.1Confident85.5Confident111 Ų11150.6 Ų50.652%0.51928%0.282SS..PPolyproline II helixtrans-81123.9167.6-73-176.9-161.400109.7R142E127-R142 HydrophobicContact CB-CG 4.48Å; E127-R142 IonicContact OE1-NE 3.51Å; E127-R142 IonicContact OE1-NH2 2.68Å; E127-R142 IonicContact OE2-CZ 3.29Å; E127-R142 IonicContact OE2-NE 2.65Å; E127-R142 PolarHBondContact OE2-NE 2.89Å; E127-R142 IonicContact OE2-NH2 3.34Å; E127-R142 PolarHBondContact OE2-NH2 2.83Å
128L92.3Very high86Confident17 Ų1750.8 Ų50.89%0.08928%0.282CS..EExtended strand (participates in β ladder)trans-111.7134.4-172.8-120.4147.8000110.7V130 V139 V188 A190 T203L128-V130 HydrophobicContact CD2-CG2 3.53Å; L128-V139 HydrophobicContact CD2-CG1 3.46Å; L128-V139 VanDerWaalsContact CD2-CG1 3.46Å; L128-V188 HydrophobicContact CD2-CG1 3.96Å; L128-A190 HydrophobicContact CD1-CB 3.33Å; L128-A190 HydrophobicContact CG-CB 4.4Å; L128-T203 HydrophobicContact CB-CG2 4.42Å; L128-T203 HydrophobicContact CD1-CG2 3.53Å; L128-T203 WeakPolarHBondContact CD1-OG1 3.47Å
129R93.9Very high86.7Confident184 Ų18449.5 Ų49.569%0.69428%0.278SS*.EExtended strand (participates in β ladder)trans-122.9127.4166.8-65.8-174178.7-161.3-0.7109.1S140R129-S140 PolarHBondContact N-O 2.82Å; R129-S140 PolarHBondContact O-N 3.09Å
130V94.9Very high87.7Confident23 Ų2349.7 Ų49.714%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-124124.6-176.2-175.40000108.7L128 L137 L138 V188 H206 V208L128-V130 HydrophobicContact CD2-CG2 3.53Å; V130-L137 HydrophobicContact CG1-CD1 3.43Å; V130-L137 VanDerWaalsContact CG1-CD1 3.43Å; V130-L137 HydrophobicContact CG1-CG 4.26Å; V130-L138 WeakPolarHBondContact CA-O 2.94Å; V130-V188 HydrophobicContact CG1-CG2 3.98Å; V130-V188 HydrophobicContact CG2-CB 4.03Å; V130-V188 HydrophobicContact CG2-CG1 4.33Å; V130-V188 HydrophobicContact CG2-CG2 4.24Å; V130-H206 HydrophobicContact CB-CB 4.25Å; V130-H206 HydrophobicContact CG2-CB 3.83Å; V130-V208 HydrophobicContact CG1-CG1 4.06Å; V130-V208 HydrophobicContact CG1-CG2 4.01Å
131T93.7Very high88.7Confident76 Ų7643.7 Ų43.747%0.46625%0.25SS..EExtended strand (participates in β ladder)trans-133139.7178.3510000110.3L138T131-L138 PolarHBondContact N-O 3Å; T131-L138 PolarHBondContact O-N 3.29Å
132A92.6Very high89.1Confident41 Ų4150.5 Ų50.534%0.33928%0.275SS..EExtended strand (participates in β ladder)trans-98.7132.4172.100000109.9V136 V208 I210A132-V136 WeakPolarHBondContact CA-O 3.42Å; A132-V208 HydrophobicContact CB-CB 4.38Å; A132-V208 HydrophobicContact CB-CG2 4.14Å; A132-I210 HydrophobicContact CB-CD1 3.88Å
133A89.1Confident89.4Confident54 Ų5453 Ų5345%0.44628%0.278SS..EExtended strand (participates in β ladder)trans-127.795.2174.500000108.5D135 V136 L138A133-D135 PolarHBondContact O-N 3.06Å; A133-V136 PolarHBondContact N-O 2.94Å; A133-V136 WeakPolarHBondContact O-CB 3.4Å; A133-V136 PolarHBondContact O-N 2.87Å; A133-L138 HydrophobicContact CB-CD1 4.37Å
134G87.2Confident89.4Confident22 Ų2254.4 Ų54.423%0.22728%0.284CS..THydrogen-bonded Turntrans68.1-115.9-174.800000112I210 G212G134-I210 WeakPolarHBondContact O-CG2 3.3Å; G134-G212 CarbonylContact C-O 3.47Å; G134-G212 WeakPolarHBondContact CA-O 3.27Å; G134-G212 PolarHBondContact O-N 2.85Å
135D89.4Confident88.9Confident50 Ų5056 Ų5627%0.26729%0.294SS..THydrogen-bonded Turntrans-98.910.5172.668.8-36.2000113.8A133 A179 L180A133-D135 PolarHBondContact O-N 3.06Å; D135-A179 PolarHBondContact O-N 3.01Å; D135-L180 WeakPolarHBondContact O-CB 3.35Å; D135-L180 PolarHBondContact O-N 3.1Å
136V92.3Very high88.1Confident31 Ų3160.1 Ų60.119%0.18831%0.313CS..EExtended strand (participates in β ladder)trans-108.8133.7179.9-1730000110.7A132 A133 L138 Q176 V177 A178A132-V136 WeakPolarHBondContact CA-O 3.42Å; A133-V136 PolarHBondContact N-O 2.94Å; A133-V136 WeakPolarHBondContact O-CB 3.4Å; A133-V136 PolarHBondContact O-N 2.87Å; V136-L138 HydrophobicContact CG1-CD2 4.05Å; V136-Q176 HydrophobicContact CG1-CB 4.46Å; V136-V177 CarbonylContact C-O 3.52Å; V136-V177 WeakPolarHBondContact CA-O 3.26Å; V136-A178 HydrophobicContact CG2-CB 3.99Å
137L94.9Very high87.3Confident0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-101.5122.9171-176.269000109.5V130 V139 I154 V177 L180 V188 V208V130-L137 HydrophobicContact CG1-CD1 3.43Å; V130-L137 VanDerWaalsContact CG1-CD1 3.43Å; V130-L137 HydrophobicContact CG1-CG 4.26Å; L137-V139 HydrophobicContact CD2-CG2 4.37Å; L137-V139 HydrophobicContact CG-CG2 4.18Å; L137-I154 HydrophobicContact CD2-CD1 4.09Å; L137-I154 HydrophobicContact CD2-CG2 3.99Å; L137-V177 HydrophobicContact CB-CB 4.33Å; L137-V177 PolarHBondContact N-O 2.56Å; L137-V177 PolarHBondContact O-N 3.46Å; L137-L180 HydrophobicContact CB-CD1 3.41Å; L137-L180 VanDerWaalsContact CB-CD1 3.41Å; L137-L180 HydrophobicContact CD2-CD1 4.22Å; L137-L180 HydrophobicContact CG-CD1 4.4Å; L137-V188 HydrophobicContact CD2-CG2 3.8Å; L137-V208 HydrophobicContact CD1-CG2 3.3Å
138L95.4Very high87Confident45 Ų4556.6 Ų56.624%0.23630%0.298CS..EExtended strand (participates in β ladder)trans-105.5119.2176-57.2173.8000108.4V130 T131 A133 V136 V174 Q176V130-L138 WeakPolarHBondContact CA-O 2.94Å; T131-L138 PolarHBondContact N-O 3Å; T131-L138 PolarHBondContact O-N 3.29Å; A133-L138 HydrophobicContact CB-CD1 4.37Å; V136-L138 HydrophobicContact CG1-CD2 4.05Å; L138-V174 HydrophobicContact CD2-CG1 4.49Å; L138-Q176 HydrophobicContact CD2-CB 4.08Å; L138-Q176 HydrophobicContact CD2-CG 3.57Å
139V95.9Very high86.9Confident0 Ų058 Ų580%031%0.308CS..EExtended strand (participates in β ladder)trans-112.1114.4177.6179.40000108L128 L137 V141 V152 I154 V174 L175 V188L128-V139 HydrophobicContact CD2-CG1 3.46Å; L128-V139 VanDerWaalsContact CD2-CG1 3.46Å; L137-V139 HydrophobicContact CD2-CG2 4.37Å; L137-V139 HydrophobicContact CG-CG2 4.18Å; V139-V141 HydrophobicContact CG1-CG2 4.44Å; V139-V152 HydrophobicContact CG1-CG1 4.12Å; V139-V152 HydrophobicContact CG1-CG2 4.45Å; V139-I154 HydrophobicContact CG2-CD1 4.46Å; V139-V174 CarbonylContact O-C 3.56Å; V139-V174 WeakPolarHBondContact O-CA 3.43Å; V139-L175 HydrophobicContact CB-CB 4.25Å; V139-L175 PolarHBondContact N-O 2.93Å; V139-L175 PolarHBondContact O-N 2.64Å; V139-V188 HydrophobicContact CG1-CG1 4.28Å; V139-V188 HydrophobicContact CG2-CG1 4.12Å; V139-V188 HydrophobicContact CG2-CG2 4.27Å
140S94.4Very high86.8Confident40 Ų4049.4 Ų49.428%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-108.4134.5179-50.50000111R129 E173R129-S140 PolarHBondContact N-O 2.82Å; R129-S140 PolarHBondContact O-N 3.09Å; S140-E173 VanDerWaalsContact CA-O 3.29Å; S140-E173 WeakPolarHBondContact CA-O 3.38Å
141V90.6Very high86.8Confident10 Ų1051 Ų516%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-128.8142.7-179.9-174.50000108.4P126 V139 F144 T150 M168 E173P126-V141 HydrophobicContact CB-CG1 4Å; V139-V141 HydrophobicContact CG1-CG2 4.44Å; V141-F144 HydrophobicContact CG1-CD2 4.28Å; V141-F144 HydrophobicContact CG1-CE2 3.76Å; V141-T150 HydrophobicContact CG1-CG2 4.19Å; V141-T150 HydrophobicContact CG2-CG2 4.24Å; V141-M168 HydrophobicContact CB-CE 4.41Å; V141-M168 HydrophobicContact CG2-CE 4.16Å; V141-M168 HydrophobicContact CG2-SD 4.06Å; V141-E173 PolarHBondContact N-O 2.99Å
142R82.4Confident86.9Confident158 Ų15847.4 Ų47.460%0.59626%0.26SS*.  trans-63.4150.8173.3-68.6-165.9-172.3-142.111.6110.9E127 F144E127-R142 HydrophobicContact CB-CG 4.48Å; E127-R142 IonicContact OE1-NE 3.51Å; E127-R142 IonicContact OE1-NH2 2.68Å; E127-R142 IonicContact OE2-CZ 3.29Å; E127-R142 IonicContact OE2-NE 2.65Å; E127-R142 PolarHBondContact OE2-NE 2.89Å; E127-R142 IonicContact OE2-NH2 3.34Å; E127-R142 PolarHBondContact OE2-NH2 2.83Å; R142-F144 WeakPolarHBondContact O-CD2 3.35Å; R142-F144 WeakPolarHBondContact O-CE2 3.39Å; R142-F144 PolarHBondContact O-N 3.2Å
143K76.4Confident87.1Confident144 Ų14446 Ų4663%0.62625%0.248SC*.  trans-58.7131.8173.5-79.8178.2161.5135.90111.6E173K143-E173 HydrophobicContact CD-CG 4.47Å; K143-E173 VanDerWaalsContact CD-OE1 3.26Å; K143-E173 WeakPolarHBondContact CD-OE1 3.46Å; K143-E173 WeakPolarHBondContact CE-OE1 3.19Å; K143-E173 HydrophobicContact CG-CG 3.88Å; K143-E173 WeakPolarHBondContact CG-OE1 3.44Å; K143-E173 IonicContact NZ-OE1 2.72Å; K143-E173 PolarHBondContact NZ-OE1 3.16Å
144F75.3Confident87.5Confident36 Ų3643.8 Ų43.816%0.15823%0.228CC..  trans-106.4165169.7-77-85.6000110.4P124 P126 V141 R142 A148 V192P124-F144 HydrophobicContact CG-CE1 4.08Å; P126-F144 HydrophobicContact CB-CE2 3.77Å; P126-F144 HydrophobicContact CB-CZ 3.73Å; V141-F144 HydrophobicContact CG1-CD2 4.28Å; V141-F144 HydrophobicContact CG1-CE2 3.76Å; R142-F144 WeakPolarHBondContact O-CD2 3.35Å; R142-F144 WeakPolarHBondContact O-CE2 3.39Å; R142-F144 PolarHBondContact O-N 3.2Å; F144-A148 HydrophobicContact CB-CB 3.6Å; F144-A148 HydrophobicContact CG-CB 4.3Å; F144-V192 HydrophobicContact CD1-CG1 4.35Å; F144-V192 HydrophobicContact CD1-CG2 4.19Å; F144-V192 HydrophobicContact CD2-CG2 4.13Å; F144-V192 HydrophobicContact CE1-CG2 3.74Å; F144-V192 HydrophobicContact CE2-CG2 3.68Å; F144-V192 HydrophobicContact CG-CG2 4.38Å; F144-V192 HydrophobicContact CZ-CG2 3.48Å; F144-V192 VanDerWaalsContact CZ-CG2 3.48Å
145P69.6Low87.9Confident55 Ų5544.2 Ų44.236%0.35722%0.223SC..  trans-54.2152.3169.1-24.235000111.5M34 T147 A148 A170M34-P145 HydrophobicContact CE-CG 4.21Å; P145-T147 PolarHBondContact O-N 2.88Å; P145-A148 WeakPolarHBondContact O-CB 3.2Å; P145-A148 PolarHBondContact O-N 3.07Å; P145-A170 VanDerWaalsContact O-CB 3.24Å; P145-A170 WeakPolarHBondContact O-CB 3.48Å
146L72.4Confident88.2Confident161 Ų16143.4 Ų43.484%0.84322%0.216SC*.THydrogen-bonded Turntrans-57.9-16.7-175.8-69.6169.8000114.6A148 A170L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A170 HydrophobicContact CD2-CB 4.5Å
147T72.5Confident88.3Confident39 Ų3944.9 Ų44.924%0.23923%0.226CC..THydrogen-bonded Turntrans-86.31.8178.254.20000114D93 P145 N195D93-T147 WeakPolarHBondContact OD2-CB 3.02Å; D93-T147 WeakPolarHBondContact OD2-CG2 3.32Å; D93-T147 PolarHBondContact OD2-OG1 2.83Å; P145-T147 PolarHBondContact O-N 2.88Å; T147-N195 PolarHBondContact O-N 2.02Å; T147-N195 PolarHBondContact O-OD1 2.89Å
148A82.7Confident88.2Confident2 Ų250.1 Ų50.12%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-105.4142.8-178.100000112.8F144 P145 L146 A170 V192 L194F144-A148 HydrophobicContact CB-CB 3.6Å; F144-A148 HydrophobicContact CG-CB 4.3Å; P145-A148 WeakPolarHBondContact O-CB 3.2Å; P145-A148 PolarHBondContact O-N 3.07Å; L146-A148 VanDerWaalsContact C-N 3.31Å; A148-A170 WeakPolarHBondContact O-CB 3.04Å; A148-A170 PolarHBondContact O-N 3.07Å; A148-V192 HydrophobicContact CB-CG1 3.9Å; A148-L194 HydrophobicContact CB-CD2 3.76Å
149V89.3Confident88.1Confident46 Ų4651.8 Ų51.828%0.27926%0.259SS..EExtended strand (participates in β ladder)trans-121.7129.4170-179.80000108.2M151 V193V149-M151 HydrophobicContact CG1-CE 4.06Å; V149-V193 PolarHBondContact N-O 3.08Å; V149-V193 PolarHBondContact O-N 3.38Å
150T92.8Very high87.8Confident5 Ų558 Ų583%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-92.4121174.3-56.10000109.5V141 V152 M168 A190 K191V141-T150 HydrophobicContact CG1-CG2 4.19Å; V141-T150 HydrophobicContact CG2-CG2 4.24Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; T150-M168 PolarHBondContact N-O 2.93Å; T150-M168 PolarHBondContact O-N 3.4Å; T150-A190 HydrophobicContact CG2-CB 3.91Å; T150-K191 WeakPolarHBondContact CA-O 3.2Å
151M94Very high87.6Confident57 Ų5765.2 Ų65.228%0.28132%0.317SS..EExtended strand (participates in β ladder)trans-94.7113.6174.6-66.9-65.8-178.900109.1V149 S167 A190 K191 V193V149-M151 HydrophobicContact CG1-CE 4.06Å; M151-S167 PolarHBondContact SD-OG 3.42Å; M151-A190 CarbonylContact O-C 3.46Å; M151-A190 WeakPolarHBondContact O-CA 3.44Å; M151-A190 VanDerWaalsContact O-CB 3.28Å; M151-A190 WeakPolarHBondContact O-CB 3.13Å; M151-K191 HydrophobicContact CB-CG 4.05Å; M151-K191 PolarHBondContact N-O 3.34Å; M151-K191 PolarHBondContact O-N 2.68Å; M151-V193 HydrophobicContact CG-CG2 3.87Å
152V96.1Very high87.7Confident0 Ų071 Ų710%034%0.343CS..EExtended strand (participates in β ladder)trans-104.6121.8179.8-176.60000109.3V139 T150 I154 D165 Y166 M168 L175 V188 A190V139-V152 HydrophobicContact CG1-CG1 4.12Å; V139-V152 HydrophobicContact CG1-CG2 4.45Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; V152-I154 HydrophobicContact CG1-CD1 4.23Å; V152-I154 HydrophobicContact CG1-CG1 3.94Å; V152-D165 CarbonylContact O-C 3.59Å; V152-D165 WeakPolarHBondContact O-CA 3.36Å; V152-Y166 PolarHBondContact N-O 3.04Å; V152-Y166 PolarHBondContact O-N 2.96Å; V152-M168 HydrophobicContact CG2-CG 4.2Å; V152-M168 HydrophobicContact CG2-SD 3.56Å; V152-M168 VanDerWaalsContact CG2-SD 3.56Å; V152-L175 HydrophobicContact CB-CD2 4.12Å; V152-L175 HydrophobicContact CG1-CD2 4.15Å; V152-L175 HydrophobicContact CG2-CD2 4.35Å; V152-V188 HydrophobicContact CG1-CG1 3.52Å; V152-A190 HydrophobicContact CB-CB 4.45Å; V152-A190 HydrophobicContact CG2-CB 4Å
153T96.8Very high88.3Confident12 Ų1266.8 Ų66.87%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-106.1126.6176.1-58.20000109.4W155 T163 D165 V188 K189T153-W155 HydrophobicContact CG2-CE3 4.12Å; T153-W155 HydrophobicContact CG2-CZ3 4.39Å; T153-W155 WeakPolarHBondContact O-CZ3 3.13Å; T153-T163 HydrophobicContact CG2-CG2 3.89Å; T153-D165 WeakPolarHBondContact CA-OD1 3.4Å; T153-D165 VanDerWaalsContact CB-OD1 3.22Å; T153-D165 WeakPolarHBondContact CB-OD1 3.31Å; T153-D165 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D165 PolarHBondContact OG1-OD1 2.83Å; T153-V188 WeakPolarHBondContact O-CA 3.3Å; T153-K189 PolarHBondContact N-O 3.07Å; T153-K189 PolarHBondContact O-N 2.76Å
154I96.8Very high89.2Confident7 Ų766.4 Ų66.44%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-123.8134.1-177.7-52.6179.3000109.2L137 V139 V152 K164 Y166 L175 V177 Y186 C187 V188L137-I154 HydrophobicContact CD2-CD1 4.09Å; L137-I154 HydrophobicContact CD2-CG2 3.99Å; V139-I154 HydrophobicContact CG2-CD1 4.46Å; V152-I154 HydrophobicContact CG1-CD1 4.23Å; V152-I154 HydrophobicContact CG1-CG1 3.94Å; I154-K164 PolarHBondContact N-O 2.93Å; I154-K164 PolarHBondContact O-N 3.41Å; I154-Y166 HydrophobicContact CB-CE2 4.33Å; I154-Y166 HydrophobicContact CD1-CD2 3.84Å; I154-Y166 HydrophobicContact CD1-CE2 3.72Å; I154-Y166 HydrophobicContact CG1-CD2 4.17Å; I154-Y166 HydrophobicContact CG1-CE2 4.15Å; I154-L175 HydrophobicContact CD1-CD2 4.39Å; I154-V177 HydrophobicContact CD1-CG2 3.73Å; I154-Y186 HydrophobicContact CG2-CD1 4.18Å; I154-C187 WeakPolarHBondContact CA-O 3.33Å; I154-V188 HydrophobicContact CG1-CG1 4.18Å; I154-V188 HydrophobicContact CG1-CG2 4.14Å; I154-V188 HydrophobicContact CG2-CG2 4.32Å
155W96.8Very high90.2Very high30 Ų3069.8 Ų69.811%0.11435%0.354CS..EExtended strand (participates in β ladder)trans-144.4162.4175.466.7100.9000111.3T153 T163 Y186 C187 K189T153-W155 HydrophobicContact CG2-CE3 4.12Å; T153-W155 HydrophobicContact CG2-CZ3 4.39Å; T153-W155 WeakPolarHBondContact O-CZ3 3.13Å; W155-T163 HydrophobicContact CB-CG2 4.05Å; W155-Y186 CarbonylContact O-C 3.53Å; W155-Y186 VanDerWaalsContact O-CA 3.31Å; W155-Y186 WeakPolarHBondContact O-CA 3.41Å; W155-C187 HydrophobicContact CD2-CB 4.04Å; W155-C187 VanDerWaalsContact CE2-CB 3.48Å; W155-C187 HydrophobicContact CE3-CB 4.49Å; W155-C187 HydrophobicContact CH2-CB 3.96Å; W155-C187 HydrophobicContact CZ2-CB 3.47Å; W155-C187 VanDerWaalsContact CZ2-CB 3.47Å; W155-C187 HydrophobicContact CZ3-CB 4.43Å; W155-C187 PolarHBondContact N-O 2.84Å; W155-C187 PolarHBondContact O-N 2.94Å; W155-K189 HydrophobicContact CH2-CB 4.12Å; W155-K189 HydrophobicContact CH2-CD 3.82Å; W155-K189 HydrophobicContact CH2-CG 4Å; W155-K189 HydrophobicContact CZ3-CB 4.13Å; W155-K189 HydrophobicContact CZ3-CD 3.84Å; W155-K189 HydrophobicContact CZ3-CG 3.7Å
156R95.7Very high91.4Very high33 Ų3370.2 Ų70.213%0.12535%0.349CS..EExtended strand (participates in β ladder)trans-92.4138.4173-150.2171.165.9173.822.9108.8D158 K159 E160 A184 V185 Y186R156-D158 VanDerWaalsContact C-N 3.25Å; R156-D158 WeakPolarHBondContact CB-OD1 3.32Å; R156-D158 WeakPolarHBondContact CD-OD1 3.39Å; R156-D158 WeakPolarHBondContact CG-OD1 3.46Å; R156-D158 IonicContact CZ-OD1 2.64Å; R156-D158 IonicContact CZ-OD2 3.58Å; R156-D158 IonicContact NE-OD1 2.94Å; R156-D158 PolarHBondContact NE-OD1 3.18Å; R156-D158 IonicContact NE-OD2 3.78Å; R156-D158 PolarHBondContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 3.65Å; R156-D158 IonicContact NH2-OD2 3.29Å; R156-D158 PolarHBondContact NH2-OD2 3.5Å; R156-D158 PolarHBondContact O-N 2.75Å; R156-K159 HydrophobicContact CB-CB 4.34Å; R156-K159 CarbonylContact O-C 3.15Å; R156-K159 WeakPolarHBondContact O-CA 3.47Å; R156-K159 PolarHBondContact O-N 3.5Å; R156-E160 PolarHBondContact O-N 3.4Å; R156-A184 HydrophobicContact CG-CB 4.07Å; R156-V185 WeakPolarHBondContact CA-O 3.18Å; R156-V185 WeakPolarHBondContact CG-O 3.46Å; R156-Y186 HydrophobicContact CB-CD1 4.28Å; R156-Y186 HydrophobicContact CB-CE1 4.05Å; R156-Y186 HydrophobicContact CG-CD1 4.33Å; R156-Y186 HydrophobicContact CG-CD2 4.46Å; R156-Y186 HydrophobicContact CG-CE1 4.02Å; R156-Y186 HydrophobicContact CG-CE2 4.18Å
157T94.4Very high92.4Very high63 Ų6366.3 Ų66.339%0.38733%0.334SS..THydrogen-bonded Turntrans-62.1-31.2-173.1-500000113.3K159 V185 C187T157-K159 VanDerWaalsContact C-N 3.3Å; T157-V185 PolarHBondContact N-O 2.72Å; T157-V185 WeakPolarHBondContact OG1-CG1 3.23Å; T157-V185 PolarHBondContact OG1-O 3.43Å; T157-C187 PolarHBondContact OG1-SG 3.4Å
158D92.4Very high93.3Very high109 Ų10964.5 Ų64.558%0.58332%0.323SS*.THydrogen-bonded Turntrans-81.8-4.6174.867.5-31.5000113.6R156R156-D158 VanDerWaalsContact C-N 3.25Å; R156-D158 WeakPolarHBondContact CB-OD1 3.32Å; R156-D158 WeakPolarHBondContact CD-OD1 3.39Å; R156-D158 WeakPolarHBondContact CG-OD1 3.46Å; R156-D158 IonicContact CZ-OD1 2.64Å; R156-D158 IonicContact CZ-OD2 3.58Å; R156-D158 IonicContact NE-OD1 2.94Å; R156-D158 PolarHBondContact NE-OD1 3.18Å; R156-D158 IonicContact NE-OD2 3.78Å; R156-D158 PolarHBondContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 3.65Å; R156-D158 IonicContact NH2-OD2 3.29Å; R156-D158 PolarHBondContact NH2-OD2 3.5Å; R156-D158 PolarHBondContact O-N 2.75Å
159K92.4Very high93.6Very high80 Ų8067.1 Ų67.135%0.34834%0.34SS..EExtended strand (participates in β ladder)trans-138.554.8-178.4-65.6-177.3169.6174.40111.5R156 T157 Q161 Q162R156-K159 HydrophobicContact CB-CB 4.34Å; R156-K159 CarbonylContact O-C 3.15Å; R156-K159 WeakPolarHBondContact O-CA 3.47Å; R156-K159 PolarHBondContact O-N 3.5Å; T157-K159 VanDerWaalsContact C-N 3.3Å; K159-Q161 PolarHBondContact O-N 3.37Å; K159-Q161 VanDerWaalsContact O-N 3.11Å; K159-Q162 HydrophobicContact CB-CB 4.25Å; K159-Q162 PolarHBondContact O-N 2.98Å
160E90.1Very high93.3Very high131 Ų13165.5 Ų65.561%0.61233%0.332SS*.EExtended strand (participates in β ladder)trans-57.2-29.7-176.5-63-170.6157.300114.4R156 Q162R156-E160 PolarHBondContact O-N 3.4Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.32Å
161Q90.1Very high92.8Very high192 Ų19270.8 Ų70.890%0.89736%0.36SS*.EExtended strand (participates in β ladder)trans-73.2-15.9177.4-66.9-87.4-24.200113.3K159K159-Q161 PolarHBondContact O-N 3.37Å; K159-Q161 VanDerWaalsContact O-N 3.11Å
162Q92.8Very high92.5Very high130 Ų13071.4 Ų71.461%0.60736%0.362SS*.EExtended strand (participates in β ladder)trans-10376.5-179-64.2-177.615.600110K159 E160K159-Q162 HydrophobicContact CB-CB 4.25Å; K159-Q162 PolarHBondContact O-N 2.98Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.32Å
163T94.9Very high92.2Very high70 Ų7075.6 Ų75.643%0.42938%0.381SS..EExtended strand (participates in β ladder)trans-85.9148.4176.556.40000111.6T153 W155T153-T163 HydrophobicContact CG2-CG2 3.89Å; W155-T163 HydrophobicContact CB-CG2 4.05Å
164K95.9Very high92.1Very high136 Ų13677.7 Ų77.759%0.59139%0.394SS*.EExtended strand (participates in β ladder)trans-120.5125.4168.4-66.7-175.3-179.7-177.90109.1I154 Y166I154-K164 PolarHBondContact N-O 2.93Å; I154-K164 PolarHBondContact O-N 3.41Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å
165D95.6Very high92Very high108 Ų10878.1 Ų78.158%0.57840%0.397SS*.EExtended strand (participates in β ladder)trans-101.5139.5178.9-65.8-30.4000110.8V152 T153V152-D165 CarbonylContact O-C 3.59Å; V152-D165 WeakPolarHBondContact O-CA 3.36Å; T153-D165 WeakPolarHBondContact CA-OD1 3.4Å; T153-D165 VanDerWaalsContact CB-OD1 3.22Å; T153-D165 WeakPolarHBondContact CB-OD1 3.31Å; T153-D165 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D165 PolarHBondContact OG1-OD1 2.83Å
166Y95.2Very high91.9Very high64 Ų6483.4 Ų83.425%0.25142%0.422SS..EExtended strand (participates in β ladder)trans-130.3134-179.9-61.6-95000109.4V152 I154 K164 L175 V177V152-Y166 PolarHBondContact N-O 3.04Å; V152-Y166 PolarHBondContact O-N 2.96Å; I154-Y166 HydrophobicContact CB-CE2 4.33Å; I154-Y166 HydrophobicContact CD1-CD2 3.84Å; I154-Y166 HydrophobicContact CD1-CE2 3.72Å; I154-Y166 HydrophobicContact CG1-CD2 4.17Å; I154-Y166 HydrophobicContact CG1-CE2 4.15Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; Y166-L175 HydrophobicContact CD1-CD1 4.09Å; Y166-L175 HydrophobicContact CD1-CD2 4.28Å; Y166-L175 HydrophobicContact CD2-CD2 4.2Å; Y166-L175 HydrophobicContact CG-CD1 4.37Å; Y166-L175 HydrophobicContact CG-CD2 3.77Å; Y166-V177 HydrophobicContact CE1-CG2 4.2Å; Y166-V177 HydrophobicContact CE2-CG2 4.3Å
167S93.4Very high91.8Very high78 Ų7882.4 Ų82.455%0.54542%0.42SS..EExtended strand (participates in β ladder)trans-97.4120.5174.9-53.70000109.6M151M151-S167 PolarHBondContact SD-OG 3.42Å
168M92.1Very high91.7Very high1 Ų182.4 Ų82.41%0.00543%0.426CS..EExtended strand (participates in β ladder)trans-104.8118.9172.3-64.9176.266.200109.3V141 T150 V152 Q172 L175V141-M168 HydrophobicContact CB-CE 4.41Å; V141-M168 HydrophobicContact CG2-CE 4.16Å; V141-M168 HydrophobicContact CG2-SD 4.06Å; T150-M168 PolarHBondContact N-O 2.93Å; T150-M168 PolarHBondContact O-N 3.4Å; V152-M168 HydrophobicContact CG2-CG 4.2Å; V152-M168 HydrophobicContact CG2-SD 3.56Å; V152-M168 VanDerWaalsContact CG2-SD 3.56Å; M168-Q172 HydrophobicContact CE-CG 4.2Å; M168-Q172 WeakPolarHBondContact CE-O 3.41Å; M168-L175 HydrophobicContact CE-CB 3.94Å; M168-L175 HydrophobicContact CG-CB 3.99Å; M168-L175 HydrophobicContact CG-CD2 4.46Å; M168-L175 HydrophobicContact SD-CB 3.51Å; M168-L175 VanDerWaalsContact SD-CB 3.51Å; M168-L175 HydrophobicContact SD-CD2 4.29Å; M168-L175 HydrophobicContact SD-CG 4.49Å
169P88.3Confident91.4Very high57 Ų5781.3 Ų81.337%0.3743%0.433SS..EExtended strand (participates in β ladder)trans-67.7161.4172.130.9-35000111.1D171 Q172P169-D171 VanDerWaalsContact CB-OD1 3.3Å; P169-D171 WeakPolarHBondContact CB-OD1 3.44Å; P169-D171 VanDerWaalsContact CG-OD1 3.3Å; P169-D171 WeakPolarHBondContact CG-OD1 3.01Å; P169-D171 PolarHBondContact O-N 2Å; P169-D171 VanDerWaalsContact O-N 3.13Å; P169-Q172 HydrophobicContact CG-CB 3.84Å; P169-Q172 PolarHBondContact O-N 2.82Å
170A82.3Confident91.4Very high12 Ų1278.4 Ų78.410%0.09942%0.421CS..THydrogen-bonded Turntrans-57.8-27.5-174.300000115.2P145 L146 A148P145-A170 VanDerWaalsContact O-CB 3.24Å; P145-A170 WeakPolarHBondContact O-CB 3.48Å; L146-A170 HydrophobicContact CD2-CB 4.5Å; A148-A170 WeakPolarHBondContact O-CB 3.04Å; A148-A170 PolarHBondContact O-N 3.07Å
171D82.5Confident91.4Very high116 Ų11677.2 Ų77.262%0.6242%0.415SS*.THydrogen-bonded Turntrans-84.1-17.4179.264.1-37.6000113.3P169 E173P169-D171 VanDerWaalsContact CB-OD1 3.3Å; P169-D171 WeakPolarHBondContact CB-OD1 3.44Å; P169-D171 VanDerWaalsContact CG-OD1 3.3Å; P169-D171 WeakPolarHBondContact CG-OD1 3.01Å; P169-D171 PolarHBondContact O-N 2Å; P169-D171 VanDerWaalsContact O-N 3.13Å; D171-E173 PolarHBondContact O-N 2.79Å
172Q88.4Confident91.4Very high71 Ų7173.8 Ų73.833%0.33240%0.399SS..  trans-86.8110.5178.3-174.3179.4-25.200111.1M168 P169 V174M168-Q172 HydrophobicContact CE-CG 4.2Å; M168-Q172 WeakPolarHBondContact CE-O 3.41Å; P169-Q172 HydrophobicContact CG-CB 3.84Å; P169-Q172 PolarHBondContact O-N 2.82Å; Q172-V174 WeakPolarHBondContact CG-O 3.31Å; Q172-V174 PolarHBondContact NE2-O 2.93Å
173E89.5Confident91.1Very high87 Ų8770.9 Ų70.941%0.40740%0.404SS..  trans-84.5-25.8178.5-66.7-175.2179.400113.6S140 V141 K143 D171S140-E173 VanDerWaalsContact CA-O 3.29Å; S140-E173 WeakPolarHBondContact CA-O 3.38Å; V141-E173 PolarHBondContact N-O 2.99Å; K143-E173 HydrophobicContact CD-CG 4.47Å; K143-E173 VanDerWaalsContact CD-OE1 3.26Å; K143-E173 WeakPolarHBondContact CD-OE1 3.46Å; K143-E173 WeakPolarHBondContact CE-OE1 3.19Å; K143-E173 HydrophobicContact CG-CG 3.88Å; K143-E173 WeakPolarHBondContact CG-OE1 3.44Å; K143-E173 IonicContact NZ-OE1 2.72Å; K143-E173 PolarHBondContact NZ-OE1 3.16Å; D171-E173 PolarHBondContact O-N 2.79Å
174V93.6Very high91.1Very high56 Ų5668.1 Ų68.134%0.33939%0.389SS..EExtended strand (participates in β ladder)trans-131.8127.8-173-1740000110.8L138 V139 Q172 Q176L138-V174 HydrophobicContact CD2-CG1 4.49Å; V139-V174 CarbonylContact O-C 3.56Å; V139-V174 WeakPolarHBondContact O-CA 3.43Å; Q172-V174 WeakPolarHBondContact CG-O 3.31Å; Q172-V174 PolarHBondContact NE2-O 2.93Å; V174-Q176 HydrophobicContact CG1-CG 4.26Å
175L95.1Very high91Very high17 Ų1764.5 Ų64.59%0.08938%0.378CS..EExtended strand (participates in β ladder)trans-101.7130.5166.8170.971.1000109V139 V152 I154 Y166 M168 V177V139-L175 HydrophobicContact CB-CB 4.25Å; V139-L175 PolarHBondContact N-O 2.93Å; V139-L175 PolarHBondContact O-N 2.64Å; V152-L175 HydrophobicContact CB-CD2 4.12Å; V152-L175 HydrophobicContact CG1-CD2 4.15Å; V152-L175 HydrophobicContact CG2-CD2 4.35Å; I154-L175 HydrophobicContact CD1-CD2 4.39Å; Y166-L175 HydrophobicContact CD1-CD1 4.09Å; Y166-L175 HydrophobicContact CD1-CD2 4.28Å; Y166-L175 HydrophobicContact CD2-CD2 4.2Å; Y166-L175 HydrophobicContact CG-CD1 4.37Å; Y166-L175 HydrophobicContact CG-CD2 3.77Å; M168-L175 HydrophobicContact CE-CB 3.94Å; M168-L175 HydrophobicContact CG-CB 3.99Å; M168-L175 HydrophobicContact CG-CD2 4.46Å; M168-L175 HydrophobicContact SD-CB 3.51Å; M168-L175 VanDerWaalsContact SD-CB 3.51Å; M168-L175 HydrophobicContact SD-CD2 4.29Å; M168-L175 HydrophobicContact SD-CG 4.49Å; L175-V177 HydrophobicContact CD2-CG2 4.24Å; L175-V177 HydrophobicContact CG-CG2 4.09Å
176Q94.8Very high91.1Very high140 Ų14060.8 Ų60.865%0.65436%0.356SS*.EExtended strand (participates in β ladder)trans-111.9125177-50.4-168.310.800109.5V136 L138 V174V136-Q176 HydrophobicContact CG1-CB 4.46Å; L138-Q176 HydrophobicContact CD2-CB 4.08Å; L138-Q176 HydrophobicContact CD2-CG 3.57Å; V174-Q176 HydrophobicContact CG1-CG 4.26Å
177V94.4Very high91.1Very high12 Ų1258 Ų587%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-120.5107.5176.3-175.30000108.4V136 L137 I154 Y166 L175 L180V136-V177 CarbonylContact C-O 3.52Å; V136-V177 WeakPolarHBondContact CA-O 3.26Å; L137-V177 HydrophobicContact CB-CB 4.33Å; L137-V177 PolarHBondContact N-O 2.56Å; L137-V177 PolarHBondContact O-N 3.46Å; I154-V177 HydrophobicContact CD1-CG2 3.73Å; Y166-V177 HydrophobicContact CE1-CG2 4.2Å; Y166-V177 HydrophobicContact CE2-CG2 4.3Å; L175-V177 HydrophobicContact CD2-CG2 4.24Å; L175-V177 HydrophobicContact CG-CG2 4.09Å; V177-L180 HydrophobicContact CG1-CD2 3.98Å; V177-L180 HydrophobicContact CG1-CG 4.47Å
178A91.8Very high91.3Very high63 Ų6354.3 Ų54.352%0.52132%0.32SS..  trans-96.5176.6-176.500000112.8V136 L180V136-A178 HydrophobicContact CG2-CB 3.99Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.31Å
179A86.6Confident91.5Very high87 Ų8757.4 Ų57.472%0.71933%0.333SS*.SBendtrans57.639.8176.300000113.3D135D135-A179 PolarHBondContact O-N 3.01Å
180L91.6Very high91.9Very high19 Ų1954.7 Ų54.710%0.09932%0.316CS..PPolyproline II helixtrans-81.2153.5175.2-62.3179.6000111.4D135 L137 V177 A178 E182 Y186 I210D135-L180 WeakPolarHBondContact O-CB 3.35Å; D135-L180 PolarHBondContact O-N 3.1Å; L137-L180 HydrophobicContact CB-CD1 3.41Å; L137-L180 VanDerWaalsContact CB-CD1 3.41Å; L137-L180 HydrophobicContact CD2-CD1 4.22Å; L137-L180 HydrophobicContact CG-CD1 4.4Å; V177-L180 HydrophobicContact CG1-CD2 3.98Å; V177-L180 HydrophobicContact CG1-CG 4.47Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.31Å; L180-E182 PolarHBondContact O-N 2.83Å; L180-Y186 HydrophobicContact CB-CE2 3.96Å; L180-Y186 HydrophobicContact CD1-CD2 4.35Å; L180-Y186 HydrophobicContact CD1-CE2 4.45Å; L180-Y186 HydrophobicContact CD1-CG 4.47Å; L180-Y186 HydrophobicContact CD2-CD1 4.35Å; L180-Y186 HydrophobicContact CD2-CE1 3.82Å; L180-Y186 HydrophobicContact CD2-CE2 4.29Å; L180-Y186 HydrophobicContact CG-CE2 4.48Å; L180-I210 HydrophobicContact CB-CD1 4.4Å; L180-I210 HydrophobicContact CB-CG1 4.05Å; L180-I210 HydrophobicContact CB-CG2 4.15Å; L180-I210 HydrophobicContact CD1-CD1 3.79Å; L180-I210 HydrophobicContact CD1-CG1 4.14Å
181Q89.6Confident92.4Very high106 Ų10656 Ų5650%0.49532%0.319SS..PPolyproline II helixtrans-71.7125.5-177.7-174.8175-1600110.9A184 Y186 I210Q181-A184 HydrophobicContact CB-CB 4.19Å; Q181-A184 HydrophobicContact CG-CB 4.48Å; Q181-A184 WeakPolarHBondContact O-CB 3.45Å; Q181-A184 PolarHBondContact O-N 3.48Å; Q181-Y186 PolarHBondContact N-OH 3.39Å; Q181-I210 WeakPolarHBondContact O-CB 3.47Å
182E90.6Very high92.8Very high119 Ų11950.5 Ų50.556%0.55629%0.29SS*.THydrogen-bonded Turntrans-59.9140.6172.4-17917418000111.9L180 A184L180-E182 PolarHBondContact O-N 2.83Å; E182-A184 PolarHBondContact O-N 3.02Å
183G87.9Confident92.7Very high69 Ų6948.3 Ų48.371%0.71128%0.281SS*.THydrogen-bonded Turntrans76.9-5.1-178.300000114.6I210G183-I210 PolarHBondContact N-O 2.83Å
184A92.9Very high92.2Very high13 Ų1345.2 Ų45.211%0.10727%0.267CS..  trans-89.6151.2178.300000112.5R156 Q181 E182 Y186 I210R156-A184 HydrophobicContact CG-CB 4.07Å; Q181-A184 HydrophobicContact CB-CB 4.19Å; Q181-A184 HydrophobicContact CG-CB 4.48Å; Q181-A184 WeakPolarHBondContact O-CB 3.45Å; Q181-A184 PolarHBondContact O-N 3.48Å; E182-A184 PolarHBondContact O-N 3.02Å; A184-Y186 HydrophobicContact CB-CD2 4.35Å; A184-Y186 HydrophobicContact CB-CE2 3.79Å; A184-I210 PolarHBondContact O-N 2.9Å
185V95.4Very high91Very high60 Ų6048.3 Ų48.336%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-99.3128.4172.9-177.20000109.1R156 T157 C207 V208R156-V185 WeakPolarHBondContact CA-O 3.18Å; R156-V185 WeakPolarHBondContact CG-O 3.46Å; T157-V185 PolarHBondContact N-O 2.72Å; T157-V185 WeakPolarHBondContact OG1-CG1 3.23Å; T157-V185 PolarHBondContact OG1-O 3.43Å; V185-C207 HydrophobicContact CG1-CB 4.01Å; V185-V208 WeakPolarHBondContact CA-O 3.23Å
186Y96.3Very high89.5Confident29 Ų2952.2 Ų52.211%0.11430%0.303CS..EExtended strand (participates in β ladder)trans-115134.5175.5-73.8-96.7000109.7I154 W155 R156 L180 Q181 A184 C207 V208 I210I154-Y186 HydrophobicContact CG2-CD1 4.18Å; W155-Y186 CarbonylContact O-C 3.53Å; W155-Y186 VanDerWaalsContact O-CA 3.31Å; W155-Y186 WeakPolarHBondContact O-CA 3.41Å; R156-Y186 HydrophobicContact CB-CD1 4.28Å; R156-Y186 HydrophobicContact CB-CE1 4.05Å; R156-Y186 HydrophobicContact CG-CD1 4.33Å; R156-Y186 HydrophobicContact CG-CD2 4.46Å; R156-Y186 HydrophobicContact CG-CE1 4.02Å; R156-Y186 HydrophobicContact CG-CE2 4.18Å; L180-Y186 HydrophobicContact CB-CE2 3.96Å; L180-Y186 HydrophobicContact CD1-CD2 4.35Å; L180-Y186 HydrophobicContact CD1-CE2 4.45Å; L180-Y186 HydrophobicContact CD1-CG 4.47Å; L180-Y186 HydrophobicContact CD2-CD1 4.35Å; L180-Y186 HydrophobicContact CD2-CE1 3.82Å; L180-Y186 HydrophobicContact CD2-CE2 4.29Å; L180-Y186 HydrophobicContact CG-CE2 4.48Å; Q181-Y186 PolarHBondContact N-OH 3.39Å; A184-Y186 HydrophobicContact CB-CD2 4.35Å; A184-Y186 HydrophobicContact CB-CE2 3.79Å; Y186-C207 CarbonylContact O-C 3.47Å; Y186-C207 VanDerWaalsContact O-CA 3.24Å; Y186-C207 WeakPolarHBondContact O-CA 3.47Å; Y186-V208 PolarHBondContact N-O 3.07Å; Y186-V208 PolarHBondContact O-N 2.84Å; Y186-I210 HydrophobicContact CD2-CD1 4.43Å; Y186-I210 HydrophobicContact CD2-CG1 3.57Å; Y186-I210 HydrophobicContact CE2-CG1 3.93Å
187C96.8Very high88.2Confident7 Ų752.4 Ų52.45%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-110.2145.6175.7-62.50000110I154 W155 T157 H206 C207I154-C187 WeakPolarHBondContact CA-O 3.33Å; W155-C187 HydrophobicContact CD2-CB 4.04Å; W155-C187 VanDerWaalsContact CE2-CB 3.48Å; W155-C187 HydrophobicContact CE3-CB 4.49Å; W155-C187 HydrophobicContact CH2-CB 3.96Å; W155-C187 HydrophobicContact CZ2-CB 3.47Å; W155-C187 VanDerWaalsContact CZ2-CB 3.47Å; W155-C187 HydrophobicContact CZ3-CB 4.43Å; W155-C187 PolarHBondContact N-O 2.84Å; W155-C187 PolarHBondContact O-N 2.94Å; T157-C187 PolarHBondContact OG1-SG 3.4Å; C187-H206 CarbonylContact C-O 3.55Å; C187-H206 WeakPolarHBondContact CA-O 3.39Å; C187-C207 HydrophobicContact CB-CB 4.13Å; C187-C207 WeakPolarHBondContact CB-SG 3.12Å; C187-C207 WeakPolarHBondContact SG-CB 3.38Å; C187-C207 CovalentContact SG-SG 2.04Å; C187-C207 PolarHBondContact SG-SG 3.01Å
188V97.3Very high87.4Confident0 Ų053.6 Ų53.60%032%0.315CS..EExtended strand (participates in β ladder)trans-130.7136.3-176.9-1740000109L128 V130 L137 V139 V152 T153 I154 S205 H206L128-V188 HydrophobicContact CD2-CG1 3.96Å; V130-V188 HydrophobicContact CG1-CG2 3.98Å; V130-V188 HydrophobicContact CG2-CB 4.03Å; V130-V188 HydrophobicContact CG2-CG1 4.33Å; V130-V188 HydrophobicContact CG2-CG2 4.24Å; L137-V188 HydrophobicContact CD2-CG2 3.8Å; V139-V188 HydrophobicContact CG1-CG1 4.28Å; V139-V188 HydrophobicContact CG2-CG1 4.12Å; V139-V188 HydrophobicContact CG2-CG2 4.27Å; V152-V188 HydrophobicContact CG1-CG1 3.52Å; T153-V188 WeakPolarHBondContact O-CA 3.3Å; I154-V188 HydrophobicContact CG1-CG1 4.18Å; I154-V188 HydrophobicContact CG1-CG2 4.14Å; I154-V188 HydrophobicContact CG2-CG2 4.32Å; V188-S205 CarbonylContact O-C 3.59Å; V188-S205 WeakPolarHBondContact O-CA 3.5Å; V188-H206 PolarHBondContact N-O 3.08Å; V188-H206 PolarHBondContact O-N 2.87Å
189K96.8Very high87.1Confident65 Ų6555.6 Ų55.628%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-134.6155.8164.371.3-168.4174.3-177.80108.9T153 W155 F202 T203T153-K189 PolarHBondContact N-O 3.07Å; T153-K189 PolarHBondContact O-N 2.76Å; W155-K189 HydrophobicContact CH2-CB 4.12Å; W155-K189 HydrophobicContact CH2-CD 3.82Å; W155-K189 HydrophobicContact CH2-CG 4Å; W155-K189 HydrophobicContact CZ3-CB 4.13Å; W155-K189 HydrophobicContact CZ3-CD 3.84Å; W155-K189 HydrophobicContact CZ3-CG 3.7Å; K189-F202 HydrophobicContact CB-CD1 4.36Å; K189-F202 HydrophobicContact CD-CB 4.48Å; K189-F202 HydrophobicContact CD-CD1 3.85Å; K189-F202 HydrophobicContact CD-CE1 4.25Å; K189-F202 HydrophobicContact CD-CG 4.2Å; K189-F202 HydrophobicContact CG-CD1 3.68Å; K189-F202 HydrophobicContact CG-CE1 4.1Å; K189-F202 HydrophobicContact CG-CG 4.44Å; K189-T203 WeakPolarHBondContact CA-OG1 3.31Å
190A95.7Very high87.1Confident0 Ų051.8 Ų51.80%028%0.282CS..EExtended strand (participates in β ladder)trans-138.8164.7172.600000112.8P126 L128 T150 M151 V152 F202 T203P126-A190 HydrophobicContact CG-CB 4.15Å; L128-A190 HydrophobicContact CD1-CB 3.33Å; L128-A190 HydrophobicContact CG-CB 4.4Å; T150-A190 HydrophobicContact CG2-CB 3.91Å; M151-A190 CarbonylContact O-C 3.46Å; M151-A190 WeakPolarHBondContact O-CA 3.44Å; M151-A190 VanDerWaalsContact O-CB 3.28Å; M151-A190 WeakPolarHBondContact O-CB 3.13Å; V152-A190 HydrophobicContact CB-CB 4.45Å; V152-A190 HydrophobicContact CG2-CB 4Å; A190-F202 CarbonylContact O-C 3.49Å; A190-F202 VanDerWaalsContact O-CA 3.32Å; A190-F202 WeakPolarHBondContact O-CA 3.49Å; A190-T203 PolarHBondContact N-OG1 3.45Å; A190-T203 WeakPolarHBondContact O-CG2 3.15Å; A190-T203 PolarHBondContact O-N 3.2Å
191K93.1Very high86.9Confident41 Ų4152.8 Ų52.818%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-140.5160.2169.163.4174.8-179.4176.70109.3T150 M151 S200 F202T150-K191 WeakPolarHBondContact CA-O 3.2Å; M151-K191 HydrophobicContact CB-CG 4.05Å; M151-K191 PolarHBondContact N-O 3.34Å; M151-K191 PolarHBondContact O-N 2.68Å; K191-S200 WeakPolarHBondContact CA-OG 3.43Å; K191-F202 HydrophobicContact CB-CD1 3.97Å; K191-F202 HydrophobicContact CB-CE1 4.14Å; K191-F202 HydrophobicContact CB-CG 4.38Å; K191-F202 HydrophobicContact CD-CD1 4.38Å; K191-F202 HydrophobicContact CD-CE1 3.83Å; K191-F202 HydrophobicContact CD-CE2 3.99Å; K191-F202 HydrophobicContact CD-CZ 3.62Å; K191-F202 HydrophobicContact CG-CD1 4.16Å; K191-F202 HydrophobicContact CG-CE1 3.8Å; K191-F202 HydrophobicContact CG-CZ 4.13Å
192V89.8Confident87.1Confident0 Ų052 Ų520%029%0.292CS..EExtended strand (participates in β ladder)trans-101.9137.7173.3175.90000109.2P123 P126 F144 A148 Q199 S200P123-V192 HydrophobicContact CB-CB 4.32Å; P123-V192 HydrophobicContact CB-CG1 4.03Å; P123-V192 HydrophobicContact CG-CB 4.4Å; P123-V192 HydrophobicContact CG-CG1 4.29Å; P126-V192 HydrophobicContact CB-CG2 3.94Å; P126-V192 HydrophobicContact CG-CG2 3.95Å; F144-V192 HydrophobicContact CD1-CG1 4.35Å; F144-V192 HydrophobicContact CD1-CG2 4.19Å; F144-V192 HydrophobicContact CD2-CG2 4.13Å; F144-V192 HydrophobicContact CE1-CG2 3.74Å; F144-V192 HydrophobicContact CE2-CG2 3.68Å; F144-V192 HydrophobicContact CG-CG2 4.38Å; F144-V192 HydrophobicContact CZ-CG2 3.48Å; F144-V192 VanDerWaalsContact CZ-CG2 3.48Å; A148-V192 HydrophobicContact CB-CG1 3.9Å; V192-Q199 CarbonylContact O-C 3.58Å; V192-Q199 WeakPolarHBondContact O-CA 3.39Å; V192-S200 PolarHBondContact N-OG 3.13Å; V192-S200 PolarHBondContact O-N 3.43Å
193V87.3Confident87.3Confident24 Ų2447 Ų4715%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-120.5128.8173.7-175.90000107.8V149 M151 Q199V149-V193 PolarHBondContact N-O 3.08Å; V149-V193 PolarHBondContact O-N 3.38Å; M151-V193 HydrophobicContact CG-CG2 3.87Å; V193-Q199 HydrophobicContact CG2-CB 4.38Å
194L78.9Confident87.6Confident23 Ų2350.3 Ų50.312%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-93.8161171.7-62.1175.3000109.9P123 A148 L196 D197 V198P123-L194 HydrophobicContact CB-CD1 4.03Å; P123-L194 HydrophobicContact CB-CG 4.16Å; P123-L194 HydrophobicContact CG-CD1 4.12Å; P123-L194 HydrophobicContact CG-CG 4.1Å; A148-L194 HydrophobicContact CB-CD2 3.76Å; L194-L196 PolarHBondContact O-N 3.02Å; L194-D197 PolarHBondContact O-N 3.19Å; L194-D197 VanDerWaalsContact O-N 3.09Å; L194-V198 PolarHBondContact N-O 2.94Å
195N67.9Low87.7Confident120 Ų12053 Ų5364%0.64229%0.289SS*.THydrogen-bonded Turntrans-52.4-11.1-177.3-73.4-26.4000116.9T147T147-N195 PolarHBondContact O-N 2.02Å; T147-N195 PolarHBondContact O-OD1 2.89Å
196L64.1Low87.7Confident100 Ų10053.9 Ų53.952%0.52429%0.289SS..THydrogen-bonded Turntrans-110.626.8-178.6-66.2166.6000112.6N119 L194 V198N119-L196 HydrophobicContact CB-CD1 3.36Å; N119-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N119-L196 WeakPolarHBondContact OD1-CD1 3.3Å; L194-L196 PolarHBondContact O-N 3.02Å; L196-V198 HydrophobicContact CB-CG2 4.32Å; L196-V198 PolarHBondContact O-N 2.78Å
197D68.5Low87.7Confident144 Ų14455.8 Ų55.877%0.7731%0.305SS*.SBendtrans57.613.9-176.4-67.2-37.7000114.9L194 Q199L194-D197 PolarHBondContact O-N 3.19Å; L194-D197 VanDerWaalsContact O-N 3.09Å; D197-Q199 PolarHBondContact O-N 3.36Å
198V76.9Confident87.6Confident36 Ų3656.9 Ų56.922%0.21831%0.312CS..  trans-76.1122.9171.9-171.80000108.4I121 L194 L196I121-V198 WeakPolarHBondContact O-CG1 3.23Å; L194-V198 PolarHBondContact N-O 2.94Å; L196-V198 HydrophobicContact CB-CG2 4.32Å; L196-V198 PolarHBondContact O-N 2.78Å
199Q84.7Confident87.4Confident105 Ų10560.3 Ų60.349%0.49134%0.336SS..BIsolated β-bridgetrans-122.1145.6-171.857.8180-10.100112T122 V192 V193 D197T122-Q199 WeakPolarHBondContact CG2-O 3.32Å; V192-Q199 CarbonylContact O-C 3.58Å; V192-Q199 WeakPolarHBondContact O-CA 3.39Å; V193-Q199 HydrophobicContact CG2-CB 4.38Å; D197-Q199 PolarHBondContact O-N 3.36Å
200S86.8Confident87.3Confident7 Ų757.3 Ų57.35%0.04932%0.323CS..PPolyproline II helixtrans-74.6168.6169.372.70000110.5P123 P124 K191 V192P123-S200 VanDerWaalsContact O-CB 3.26Å; P123-S200 WeakPolarHBondContact O-CB 3.44Å; P124-S200 WeakPolarHBondContact O-CB 3.3Å; K191-S200 WeakPolarHBondContact CA-OG 3.43Å; V192-S200 PolarHBondContact N-OG 3.13Å; V192-S200 PolarHBondContact O-N 3.43Å
201G88.4Confident86.7Confident40 Ų4061.8 Ų61.841%0.41235%0.351SS..PPolyproline II helixtrans-60.9164.1156.700000111.5
202F92.9Very high85.6Confident91 Ų9159.9 Ų59.940%0.39934%0.342SS..PPolyproline II helixtrans-74.8151.8169.6-78.1-80.8000110.9K189 A190 K191K189-F202 HydrophobicContact CB-CD1 4.36Å; K189-F202 HydrophobicContact CD-CB 4.48Å; K189-F202 HydrophobicContact CD-CD1 3.85Å; K189-F202 HydrophobicContact CD-CE1 4.25Å; K189-F202 HydrophobicContact CD-CG 4.2Å; K189-F202 HydrophobicContact CG-CD1 3.68Å; K189-F202 HydrophobicContact CG-CE1 4.1Å; K189-F202 HydrophobicContact CG-CG 4.44Å; A190-F202 CarbonylContact O-C 3.49Å; A190-F202 VanDerWaalsContact O-CA 3.32Å; A190-F202 WeakPolarHBondContact O-CA 3.49Å; K191-F202 HydrophobicContact CB-CD1 3.97Å; K191-F202 HydrophobicContact CB-CE1 4.14Å; K191-F202 HydrophobicContact CB-CG 4.38Å; K191-F202 HydrophobicContact CD-CD1 4.38Å; K191-F202 HydrophobicContact CD-CE1 3.83Å; K191-F202 HydrophobicContact CD-CE2 3.99Å; K191-F202 HydrophobicContact CD-CZ 3.62Å; K191-F202 HydrophobicContact CG-CD1 4.16Å; K191-F202 HydrophobicContact CG-CE1 3.8Å; K191-F202 HydrophobicContact CG-CZ 4.13Å
203T94.6Very high84.5Confident14 Ų1464 Ų649%0.08637%0.369CS..PPolyproline II helixtrans-64.1162.3162.766.20000111V125 P126 L128 K189 A190V125-T203 HydrophobicContact CG1-CG2 3.74Å; P126-T203 HydrophobicContact CG-CG2 3.75Å; P126-T203 WeakPolarHBondContact O-CG2 3.34Å; L128-T203 HydrophobicContact CB-CG2 4.42Å; L128-T203 HydrophobicContact CD1-CG2 3.53Å; L128-T203 WeakPolarHBondContact CD1-OG1 3.47Å; K189-T203 WeakPolarHBondContact CA-OG1 3.31Å; A190-T203 PolarHBondContact N-OG1 3.45Å; A190-T203 WeakPolarHBondContact O-CG2 3.15Å; A190-T203 PolarHBondContact O-N 3.2Å
204D94.3Very high83.4Confident138 Ų13865.8 Ų65.874%0.73839%0.393SS*.PPolyproline II helixtrans-57.3152.3158.8-63.8-42000110.6H206D204-H206 PolarHBondContact O-CD2 2.73Å
205S95.6Very high82.4Confident70 Ų7068.4 Ų68.449%0.4942%0.418SS..PPolyproline II helixtrans-75125.4177.956.60000110.8V188V188-S205 CarbonylContact O-C 3.59Å; V188-S205 WeakPolarHBondContact O-CA 3.5Å
206H95.8Very high82Confident78 Ų7865.6 Ų65.636%0.36141%0.406SS..EExtended strand (participates in β ladder)trans-104.8120.7172.5-66.7-86000109.9V130 C187 V188 D204V130-H206 HydrophobicContact CB-CB 4.25Å; V130-H206 HydrophobicContact CG2-CB 3.83Å; C187-H206 CarbonylContact C-O 3.55Å; C187-H206 WeakPolarHBondContact CA-O 3.39Å; V188-H206 PolarHBondContact N-O 3.08Å; V188-H206 PolarHBondContact O-N 2.87Å; D204-H206 PolarHBondContact O-CD2 2.73Å
207C95.6Very high81.6Confident68 Ų6865.1 Ų65.146%0.45942%0.416SS..EExtended strand (participates in β ladder)trans-114.1137-175.7-52.50000111.9V185 Y186 C187V185-C207 HydrophobicContact CG1-CB 4.01Å; Y186-C207 CarbonylContact O-C 3.47Å; Y186-C207 VanDerWaalsContact O-CA 3.24Å; Y186-C207 WeakPolarHBondContact O-CA 3.47Å; C187-C207 HydrophobicContact CB-CB 4.13Å; C187-C207 WeakPolarHBondContact CB-SG 3.12Å; C187-C207 WeakPolarHBondContact SG-CB 3.38Å; C187-C207 CovalentContact SG-SG 2.04Å; C187-C207 PolarHBondContact SG-SG 3.01Å
208V94.9Very high81.1Confident30 Ų3067.3 Ų67.318%0.18241%0.414CS..EExtended strand (participates in β ladder)trans-135.7145.9178.6-62.50000111V130 A132 L137 V185 Y186V130-V208 HydrophobicContact CG1-CG1 4.06Å; V130-V208 HydrophobicContact CG1-CG2 4.01Å; A132-V208 HydrophobicContact CB-CB 4.38Å; A132-V208 HydrophobicContact CB-CG2 4.14Å; L137-V208 HydrophobicContact CD1-CG2 3.3Å; V185-V208 WeakPolarHBondContact CA-O 3.23Å; Y186-V208 PolarHBondContact N-O 3.07Å; Y186-V208 PolarHBondContact O-N 2.84Å
209S93.4Very high79.9Confident73 Ų7372.2 Ų72.251%0.5143%0.432SS..EExtended strand (participates in β ladder)trans-88.8133.1174.456.80000111.1
210I93.2Very high78.7Confident1 Ų174 Ų741%0.00544%0.441CS..  trans-88.9118177.3-58.3-57.2000109.1A132 G134 L180 Q181 G183 A184 Y186A132-I210 HydrophobicContact CB-CD1 3.88Å; G134-I210 WeakPolarHBondContact O-CG2 3.3Å; L180-I210 HydrophobicContact CB-CD1 4.4Å; L180-I210 HydrophobicContact CB-CG1 4.05Å; L180-I210 HydrophobicContact CB-CG2 4.15Å; L180-I210 HydrophobicContact CD1-CD1 3.79Å; L180-I210 HydrophobicContact CD1-CG1 4.14Å; Q181-I210 WeakPolarHBondContact O-CB 3.47Å; G183-I210 PolarHBondContact N-O 2.83Å; A184-I210 PolarHBondContact O-N 2.9Å; Y186-I210 HydrophobicContact CD2-CD1 4.43Å; Y186-I210 HydrophobicContact CD2-CG1 3.57Å; Y186-I210 HydrophobicContact CE2-CG1 3.93Å
211T83.3Confident77.3Confident95 Ų9577.7 Ų77.758%0.58346%0.464SS*.  trans-90.81.1-176.652.10000113.6
212G71.7Confident75.9Confident0 Ų079.4 Ų79.40%047%0.467CS..  trans73167.2-176.900000112.6G134 G214G134-G212 CarbonylContact C-O 3.47Å; G134-G212 WeakPolarHBondContact CA-O 3.27Å; G134-G212 PolarHBondContact O-N 2.85Å; G212-G214 PolarHBondContact O-N 2.84Å
213P66.6Low74.6Confident86 Ų8678.3 Ų78.356%0.55848%0.475SS*.SBendtrans-66105.417028.8-28.3000105.8A215P213-A215 PolarHBondContact O-N 3.23Å
214G63Low73.6Confident63 Ų6382 Ų8265%0.64950%0.498SS*.  trans-39134.8-16700000112.7G212G212-G214 PolarHBondContact O-N 2.84Å
215A58.4Low72.7Confident78 Ų7879.9 Ų79.965%0.64549%0.489SS*.  trans-43.1128.4-174.800000110.4P213 A217P213-A215 PolarHBondContact O-N 3.23Å; A215-A217 PolarHBondContact O-N 2.89Å
216P58.6Low72.1Confident61 Ų6180.3 Ų80.340%0.39649%0.489SS..  trans-53.6129.9-179.4-24.531.3000109.6W218 K219P216-W218 HydrophobicContact CB-CD2 4.47Å; P216-W218 HydrophobicContact CB-CG 4.03Å; P216-W218 PolarHBondContact O-N 3.43Å; P216-K219 PolarHBondContact O-N 3.28Å
217A56.9Low71.4Confident90 Ų9080.3 Ų80.374%0.74450%0.495SS*.G310 helixtrans-54.1-19-176.900000113.5A215 K219 Q220A215-A217 PolarHBondContact O-N 2.89Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 3.01Å; A217-Q220 WeakPolarHBondContact O-CG 3.11Å
218W58.3Low71.2Confident189 Ų18981.5 Ų81.572%0.71650%0.5SS*.G310 helixtrans-73.6-11.5175.271.2-98.2000115.2P216P216-W218 HydrophobicContact CB-CD2 4.47Å; P216-W218 HydrophobicContact CB-CG 4.03Å; P216-W218 PolarHBondContact O-N 3.43Å
219K51.1Low71Confident140 Ų14084.8 Ų84.861%0.60952%0.52SS*.G310 helixtrans-91.39.1176.3-70.9-160.3175.9-175.60114.5P216 A217P216-K219 PolarHBondContact O-N 3.28Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 3.01Å
220Q60.1Low70.9Confident141 Ų14185.3 Ų85.366%0.65952%0.519SS*.SBendtrans-65.5149.9164.3-66.4-65.5-26.800109.7A217 T222A217-Q220 WeakPolarHBondContact O-CG 3.11Å; Q220-T222 PolarHBondContact O-N 2.78Å; Q220-T222 PolarHBondContact O-OG1 3.33Å
221P56.9Low70.9Confident85 Ų8590.7 Ų90.755%0.55255%0.546SS*.  trans-63.293.5-14926.4-34.6000112.7A223 V224P221-A223 PolarHBondContact O-N 2.84Å; P221-A223 VanDerWaalsContact O-N 3.11Å; P221-V224 PolarHBondContact O-N 3.2Å
222T59.4Low71.5Confident76 Ų7691 Ų9147%0.46654%0.543SS..Hα-helixtrans-63-16.7176.6-22.10000111.4Q220 V224 T225 V226Q220-T222 PolarHBondContact O-N 2.78Å; Q220-T222 PolarHBondContact O-OG1 3.33Å; T222-V224 VanDerWaalsContact C-N 3.35Å; T222-V224 PolarHBondContact O-N 2.98Å; T222-T225 PolarHBondContact O-N 3.4Å; T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.23Å; T222-V226 WeakPolarHBondContact O-CB 3.45Å; T222-V226 WeakPolarHBondContact O-CG2 3.44Å; T222-V226 PolarHBondContact O-N 2.81Å
223A64.6Low72.6Confident68 Ų6893 Ų9356%0.56256%0.564SS**Hα-helixtrans-59.5-40.617800000112.8P221 T227P221-A223 PolarHBondContact O-N 2.84Å; P221-A223 VanDerWaalsContact O-N 3.11Å; A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.39Å; A223-T227 PolarHBondContact O-N 2.87Å; A223-T227 PolarHBondContact O-OG1 3.21Å
224V73.6Confident73.9Confident93 Ų9393.8 Ų93.856%0.56456%0.563SS**Hα-helixtrans-71.3-42.3179.6-176.30000110.2P221 T222 T227 V228P221-V224 PolarHBondContact O-N 3.2Å; T222-V224 VanDerWaalsContact C-N 3.35Å; T222-V224 PolarHBondContact O-N 2.98Å; V224-T227 WeakPolarHBondContact CA-OG1 3.21Å; V224-T227 PolarHBondContact O-OG1 2.86Å; V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.17Å; V224-V228 PolarHBondContact O-N 2.84Å; V224-V228 VanDerWaalsContact O-N 3.1Å
225T76.6Confident75.3Confident92 Ų9296 Ų9656%0.56456%0.559SS**Hα-helixtrans-68.3-41.6179.3-26.20000111.8T222 V228 V229T222-T225 PolarHBondContact O-N 3.4Å; T225-V228 PolarHBondContact O-N 2.79Å; T225-V229 VanDerWaalsContact O-CG2 3.25Å; T225-V229 WeakPolarHBondContact O-CG2 3.4Å; T225-V229 PolarHBondContact O-N 3.09Å
226V81.5Confident76.9Confident79 Ų7996.5 Ų96.548%0.47955%0.55SS.*Hα-helixtrans-67-42.5178.3171.40000111T222 V228 V229 V230T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.23Å; T222-V226 WeakPolarHBondContact O-CB 3.45Å; T222-V226 WeakPolarHBondContact O-CG2 3.44Å; T222-V226 PolarHBondContact O-N 2.81Å; V226-V228 PolarHBondContact O-N 2.93Å; V226-V229 PolarHBondContact O-N 3.36Å; V226-V230 HydrophobicContact CG1-CG2 4.31Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 VanDerWaalsContact O-CG2 3.27Å; V226-V230 WeakPolarHBondContact O-CG2 3.44Å; V226-V230 PolarHBondContact O-N 3.43Å
227T82.3Confident78.5Confident79 Ų7995.4 Ų95.449%0.48555%0.551SS.*Hα-helixtrans-63-42.7176.747.70000111.8A223 V224 V229 V230 M231A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.39Å; A223-T227 PolarHBondContact O-N 2.87Å; A223-T227 PolarHBondContact O-OG1 3.21Å; V224-T227 WeakPolarHBondContact CA-OG1 3.21Å; V224-T227 PolarHBondContact O-OG1 2.86Å; T227-V229 PolarHBondContact O-N 2.85Å; T227-V230 PolarHBondContact O-N 2.85Å; T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 2.82Å
228V89.9Confident80Confident93 Ų9396.2 Ų96.256%0.56454%0.542SS*.Hα-helixtrans-62.2-43.9176.1172.90000111.6V224 T225 V226 M231 L232V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.17Å; V224-V228 PolarHBondContact O-N 2.84Å; V224-V228 VanDerWaalsContact O-N 3.1Å; T225-V228 PolarHBondContact O-N 2.79Å; V226-V228 PolarHBondContact O-N 2.93Å; V228-M231 PolarHBondContact O-N 2.89Å; V228-L232 WeakPolarHBondContact O-CB 3.29Å; V228-L232 PolarHBondContact O-N 3.07Å
229V91.1Very high81.3Confident99 Ų9993.5 Ų93.560%0.654%0.535SS*.Hα-helixtrans-65-42.7179.2171.90000111.7T225 V226 T227 L232 G233T225-V229 VanDerWaalsContact O-CG2 3.25Å; T225-V229 WeakPolarHBondContact O-CG2 3.4Å; T225-V229 PolarHBondContact O-N 3.09Å; V226-V229 PolarHBondContact O-N 3.36Å; T227-V229 PolarHBondContact O-N 2.85Å; V229-L232 PolarHBondContact O-N 3.41Å; V229-G233 PolarHBondContact O-N 3.46Å
230V92.4Very high83Confident83 Ų8394.3 Ų94.350%0.50354%0.535SS..Hα-helixtrans-64.6-44.8177.2171.50000111.1V226 T227 L232 G233 L234V226-V230 HydrophobicContact CG1-CG2 4.31Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 VanDerWaalsContact O-CG2 3.27Å; V226-V230 WeakPolarHBondContact O-CG2 3.44Å; V226-V230 PolarHBondContact O-N 3.43Å; T227-V230 PolarHBondContact O-N 2.85Å; V230-L232 PolarHBondContact O-N 2.78Å; V230-G233 PolarHBondContact O-N 2.87Å; V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.42Å
231M93.5Very high84Confident114 Ų11489.8 Ų89.856%0.56252%0.521SS*.Hα-helixtrans-63.7-41178.2-69.6-59.5-70.700111.7T227 V228 L234 L235T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 2.82Å; V228-M231 PolarHBondContact O-N 2.89Å; M231-L234 PolarHBondContact O-N 3.23Å; M231-L234 HydrophobicContact SD-CD1 4.44Å; M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.42Å; M231-L235 PolarHBondContact O-N 3.29Å
232L95Very high85Confident102 Ų10292.4 Ų92.453%0.53453%0.53SS..Hα-helixtrans-64.5-41.6176.2-165.372.9000111.6V228 V229 V230 L235 I236V228-L232 WeakPolarHBondContact O-CB 3.29Å; V228-L232 PolarHBondContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 3.41Å; V230-L232 PolarHBondContact O-N 2.78Å; L232-L235 PolarHBondContact O-N 2.74Å; L232-I236 HydrophobicContact CD2-CD1 4.5Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.23Å; L232-I236 PolarHBondContact O-N 3.41Å
233G94.2Very high86Confident43 Ų4392.8 Ų92.844%0.44353%0.532SS..Hα-helixtrans-61.6-42.1175.500000113V229 V230 I236 G237V229-G233 PolarHBondContact O-N 3.46Å; V230-G233 PolarHBondContact O-N 2.87Å; G233-I236 PolarHBondContact O-N 2.84Å; G233-G237 PolarHBondContact O-N 3.45Å
234L93.9Very high86.2Confident102 Ų10295.3 Ų95.353%0.53453%0.532SS..Hα-helixtrans-64.2-42.8175.4-72.5171.6000112V230 M231 G237 L238V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.42Å; M231-L234 PolarHBondContact O-N 3.23Å; M231-L234 HydrophobicContact SD-CD1 4.44Å; L234-G237 PolarHBondContact O-N 2.81Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.37Å
235L93.9Very high85.7Confident108 Ų10893.9 Ų93.957%0.56553%0.525SS*.Hα-helixtrans-63.7-43177.4-71.4171.9000112M231 L232 L238 F239M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.42Å; M231-L235 PolarHBondContact O-N 3.29Å; L232-L235 PolarHBondContact O-N 2.74Å; L235-L238 PolarHBondContact O-N 3.36Å; L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 PolarHBondContact O-N 3.43Å
236I92Very high85Confident89 Ų8998.9 Ų98.946%0.45653%0.534SS..Hα-helixtrans-64.2-43.6175.9-67.2165.7000110.2L232 G233 F239 W240L232-I236 HydrophobicContact CD2-CD1 4.5Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.23Å; L232-I236 PolarHBondContact O-N 3.41Å; G233-I236 PolarHBondContact O-N 2.84Å; I236-F239 PolarHBondContact O-N 3.47Å; I236-W240 WeakPolarHBondContact O-CB 3.28Å; I236-W240 PolarHBondContact O-N 3.34Å
237G90.5Very high83.8Confident39 Ų39100.3 Ų100.340%0.40255%0.545SS..Hα-helixtrans-62.3-43177.200000113G233 L234 W240 A241G233-G237 PolarHBondContact O-N 3.45Å; L234-G237 PolarHBondContact O-N 2.81Å; G237-W240 PolarHBondContact O-N 3.3Å; G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.33Å
238L88.2Confident82.5Confident106 Ų106102.9 Ų102.956%0.55556%0.555SS**Hα-helixtrans-64.7-43.9174.8-74.2170.3000111.8L234 L235 A241 L242L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.36Å; L238-A241 PolarHBondContact O-N 3.43Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 2.83Å
239F87.4Confident80.9Confident133 Ų133102.2 Ų102.258%0.58356%0.555SS**Hα-helixtrans-63.7-43.8177.1-177-100.4000111.5L235 I236 A241 L242 V243L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 PolarHBondContact O-N 3.43Å; I236-F239 PolarHBondContact O-N 3.47Å; F239-A241 PolarHBondContact O-N 2.97Å; F239-L242 PolarHBondContact O-N 3.12Å; F239-V243 HydrophobicContact CD1-CG2 4.18Å; F239-V243 HydrophobicContact CD2-CG2 4.26Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 3.9Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CB 3.19Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.95Å
240W85.7Confident79.2Confident157 Ų157100.3 Ų100.360%0.59555%0.545SS*.Hα-helixtrans-59.6-45.5173.3-99.181.7000112.1I236 G237 V243 H244I236-W240 WeakPolarHBondContact O-CB 3.28Å; I236-W240 PolarHBondContact O-N 3.34Å; G237-W240 PolarHBondContact O-N 3.3Å; W240-V243 PolarHBondContact O-N 3.03Å; W240-H244 AromaticContact CD2-CD2 3.84Å; W240-H244 AromaticContact CE3-CD2 3.22Å; W240-H244 AromaticContact CE3-NE2 3.73Å; W240-H244 AromaticContact CH2-NE2 3.87Å; W240-H244 AromaticContact CZ3-CD2 3.44Å; W240-H244 VanDerWaalsContact CZ3-CD2 3.44Å; W240-H244 WeakPolarHBondContact CZ3-CD2 3.1Å; W240-H244 AromaticContact CZ3-NE2 3.52Å; W240-H244 WeakPolarHBondContact O-CB 3.47Å; W240-H244 PolarHBondContact O-N 3.38Å
241A81.5Confident77.4Confident46 Ų46103.6 Ų103.638%0.3856%0.555SS.*Hα-helixtrans-59.9-46.9175.300000110.7G237 L238 F239 V243 C245G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.33Å; L238-A241 PolarHBondContact O-N 3.43Å; F239-A241 PolarHBondContact O-N 2.97Å; A241-V243 PolarHBondContact O-N 3.26Å; A241-C245 WeakPolarHBondContact O-CA 3.24Å; A241-C245 WeakPolarHBondContact O-CB 3.28Å; A241-C245 PolarHBondContact O-N 2.85Å; A241-C245 PolarHBondContact O-SG 2.91Å
242L78.2Confident75.5Confident140 Ų140106.7 Ų106.773%0.73357%0.566SS**Hα-helixtrans-66.9-36.7-179.1-69.6168.7000113.6L238 F239L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 2.83Å; F239-L242 PolarHBondContact O-N 3.12Å
243V80.3Confident73.5Confident84 Ų84112 Ų11251%0.50958%0.58SS.*Hα-helixtrans-80.1-34.6-178.9174.20000112.1F239 W240 A241F239-V243 HydrophobicContact CD1-CG2 4.18Å; F239-V243 HydrophobicContact CD2-CG2 4.26Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 3.9Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CB 3.19Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.95Å; W240-V243 PolarHBondContact O-N 3.03Å; A241-V243 PolarHBondContact O-N 3.26Å
244H68.6Low71.3Confident120 Ų120118.3 Ų118.356%0.55660%0.596SS**Hα-helixtrans-102.7-10.1-177.4-68.4-74.6000114.6W240 R246W240-H244 AromaticContact CD2-CD2 3.84Å; W240-H244 AromaticContact CE3-CD2 3.22Å; W240-H244 AromaticContact CE3-NE2 3.73Å; W240-H244 AromaticContact CH2-NE2 3.87Å; W240-H244 AromaticContact CZ3-CD2 3.44Å; W240-H244 VanDerWaalsContact CZ3-CD2 3.44Å; W240-H244 WeakPolarHBondContact CZ3-CD2 3.1Å; W240-H244 AromaticContact CZ3-NE2 3.52Å; W240-H244 WeakPolarHBondContact O-CB 3.47Å; W240-H244 PolarHBondContact O-N 3.38Å; H244-R246 VanDerWaalsContact C-N 3.33Å; H244-R246 PolarHBondContact O-N 2.8Å
245C62.5Low68.9Low64 Ų64121.7 Ų121.743%0.43261%0.609SS.*  trans-74.488.4164-76.50000109.3A241A241-C245 WeakPolarHBondContact O-CA 3.24Å; A241-C245 WeakPolarHBondContact O-CB 3.28Å; A241-C245 PolarHBondContact O-N 2.85Å; A241-C245 PolarHBondContact O-SG 2.91Å
246R61.8Low66.5Low197 Ų197126 Ų12674%0.74362%0.623SS**  trans-59.5141161.8-74.1-173.4177.7165-0.2109.5H244 D248 S249H244-R246 VanDerWaalsContact C-N 3.33Å; H244-R246 PolarHBondContact O-N 2.8Å; R246-D248 PolarHBondContact O-N 3.45Å; R246-S249 PolarHBondContact O-N 3.45Å
247P57.5Low64.4Low109 Ų109130.1 Ų130.171%0.70864%0.64SS**Hα-helixtrans-55.4-27.5-177.918.6-30.1000113.6S249P247-S249 VanDerWaalsContact C-N 3.33Å; P247-S249 PolarHBondContact O-N 3.5Å
248D55.2Low62.7Low132 Ų132133.9 Ų133.971%0.70666%0.658SS**Hα-helixtrans-71.3-19.8179.6-62.8-30.5000114.6R246R246-D248 PolarHBondContact O-N 3.45Å
249S56Low60.6Low80 Ų80135.1 Ų135.156%0.55966%0.664SS**Hα-helixtrans-90.7-31.4-175.7-1400000113.3R246 P247 Q251 K252R246-S249 PolarHBondContact O-N 3.45Å; P247-S249 VanDerWaalsContact C-N 3.33Å; P247-S249 PolarHBondContact O-N 3.5Å; S249-Q251 PolarHBondContact O-N 2.85Å; S249-K252 PolarHBondContact O-N 3.49Å
250C55.6Low58.6Low58 Ų58132.8 Ų132.839%0.39266%0.662SS.*Hα-helixtrans-71.3-13.9177.6-75.30000113.7K252 Y253C250-K252 PolarHBondContact O-N 2.85Å; C250-Y253 PolarHBondContact O-N 3.4Å
251Q53.6Low56.8Low153 Ų153130.3 Ų130.372%0.71567%0.669SS**THydrogen-bonded Turntrans-65.7-19.2174.9-162172.5-5.100112.9S249S249-Q251 PolarHBondContact O-N 2.85Å
252K53.4Low55.3Low178 Ų178136.5 Ų136.577%0.77469%0.688SS**THydrogen-bonded Turntrans-78.7-22.3174.7-77.4-174.2177.3179.40114.3S249 C250S249-K252 PolarHBondContact O-N 3.49Å; C250-K252 PolarHBondContact O-N 2.85Å
253Y52.8Low53.9Low213 Ų213136 Ų13684%0.83569%0.685SS**THydrogen-bonded Turntrans-86.7-21.4179.3-86.7-85.2000113.1C250 Q255C250-Y253 PolarHBondContact O-N 3.4Å; Y253-Q255 PolarHBondContact O-N 3.05Å
254F49.6Very low52.6Low177 Ų177139.7 Ų139.778%0.77670%0.7SS**  trans-95.875.5165.5-75.2-82.2000109.9K256F254-K256 PolarHBondContact O-N 3.26Å
255Q43.8Very low51.2Low172 Ų172136.2 Ų136.280%0.80470%0.696SS**  trans-64.5108.7156.3-77.2-155.1-5.800107.3Y253 E257Y253-Q255 PolarHBondContact O-N 3.05Å; Q255-E257 PolarHBondContact O-N 2.86Å; Q255-E257 VanDerWaalsContact O-N 3.1Å
256K42.6Very low50.4Low198 Ų198141.6 Ų141.686%0.86172%0.721SS**  trans-59.9112.2158.7-79-177.9176.1177.90106.3F254F254-K256 PolarHBondContact O-N 3.26Å
257E47.5Very low49.3Very low177 Ų177137.6 Ų137.683%0.82772%0.718SS**PPolyproline II helixtrans-52.7130.3166.2-72-177154.700108.3Q255 L259Q255-E257 PolarHBondContact O-N 2.86Å; Q255-E257 VanDerWaalsContact O-N 3.1Å; E257-L259 PolarHBondContact O-N 2.85Å
258P55.3Low48.4Very low118 Ų118138 Ų13877%0.76672%0.719SS**PPolyproline II helixtrans-63.4132.6171.525.6-30.4000108.5
259L44Very low47.6Very low132 Ų132137 Ų13769%0.69172%0.717SS**PPolyproline II helixtrans-47.6131.9175.6-109.376.3000109.8E257 S261 L263E257-L259 PolarHBondContact O-N 2.85Å; L259-S261 PolarHBondContact O-N 3Å; L259-L263 HydrophobicContact CD2-CB 4.25Å; L259-L263 HydrophobicContact CD2-CD1 3.71Å; L259-L263 HydrophobicContact CG-CD1 4.29Å
260P44.3Very low46.5Very low84 Ų84144.7 Ų144.755%0.54573%0.734SS.*PPolyproline II helixtrans-60.2139.817624.6-32.2000109.7F262 L263P260-F262 HydrophobicContact CB-CD2 4.2Å; P260-F262 PolarHBondContact O-N 3.23Å; P260-L263 PolarHBondContact O-N 3.37Å
261S49.5Very low45.6Very low105 Ų105148.4 Ų148.473%0.73475%0.749SS**THydrogen-bonded Turntrans-63.612.9-172.927.20000115.7L259L259-S261 PolarHBondContact O-N 3Å
262F48.7Very low44.7Very low176 Ų176145.6 Ų145.677%0.77275%0.752SS**THydrogen-bonded Turntrans-90.1-8.6174.3-59.3-78.9000113.7P260P260-F262 HydrophobicContact CB-CD2 4.2Å; P260-F262 PolarHBondContact O-N 3.23Å
263L50.5Low43.8Very low128 Ų128144.2 Ų144.267%0.6775%0.751SS**SBendtrans-98.31.7178.7-75.5166.8000114.2L259 P260L259-L263 HydrophobicContact CD2-CB 4.25Å; L259-L263 HydrophobicContact CD2-CD1 3.71Å; L259-L263 HydrophobicContact CG-CD1 4.29Å; P260-L263 PolarHBondContact O-N 3.37Å
264I51.3Low43.1Very low163 Ų163140 Ų14084%0.83675%0.75SS**SBendtrans-102.668.5170.8-55.7170.8000107.3
265G40.3Very low42.5Very low46 Ų46139.8 Ų139.847%0.47475%0.751SS.*SBendtrans-174.6125.4177.100000107.9V267G265-V267 PolarHBondContact O-N 3.42Å
266N45.3Very low42Very low177 Ų177139 Ų13995%0.94775%0.747SS**  trans-54.397.8-178.8-84.5-13.4000110.7
267V38Very low41.6Very low114 Ų114139.2 Ų139.269%0.69174%0.743SS**  trans-107.2104.7168.5179.20000107.1G265 V269G265-V267 PolarHBondContact O-N 3.42Å; V267-V269 HydrophobicContact CG1-CG2 4.15Å; V267-V269 PolarHBondContact O-N 2.92Å; V267-V269 VanDerWaalsContact O-N 3.17Å
268T38.5Very low41Very low118 Ų118138.4 Ų138.472%0.72474%0.739SS**  trans-67.4104.5165.746.30000108.5
269V38.4Very low40Very low111 Ų111140.8 Ų140.867%0.67374%0.74SS**  trans-85.2115.9174.1-179.50000108.4V267 I271V267-V269 HydrophobicContact CG1-CG2 4.15Å; V267-V269 PolarHBondContact O-N 2.92Å; V267-V269 VanDerWaalsContact O-N 3.17Å; V269-I271 HydrophobicContact CG1-CG1 4.09Å; V269-I271 PolarHBondContact O-N 3.18Å
270W33.8Very low39.3Very low241 Ų241141.6 Ų141.691%0.91375%0.745SS**  trans-77.5108.2169.6-69.391.4000108.9
271I36.1Very low38.9Very low135 Ų135142.6 Ų142.669%0.69275%0.754SS**  trans-93.5105.2170.9-56.5173.9000106.8V269 I273V269-I271 HydrophobicContact CG1-CG1 4.09Å; V269-I271 PolarHBondContact O-N 3.18Å; I271-I273 HydrophobicContact CG2-CG1 4.33Å; I271-I273 PolarHBondContact O-N 3.38Å
272A35.2Very low37.9Very low94 Ų94142 Ų14278%0.77775%0.754SS**  trans-73.6112.7164.800000107.9P274A272-P274 WeakPolarHBondContact O-CD 3.45Å
273I35.1Very low37.2Very low149 Ų149140.5 Ų140.576%0.76476%0.76SS**  trans-84.2114.7175.8-58.4171.4000107.4I271I271-I273 HydrophobicContact CG2-CG1 4.33Å; I271-I273 PolarHBondContact O-N 3.38Å
274P37Very low36.4Very low125 Ų125140.4 Ų140.481%0.81276%0.764SS**  trans-79.5126.7172.6-1.220000109A272A272-P274 WeakPolarHBondContact O-CD 3.45Å
275Q37Very low35.4Very low172 Ų172137.6 Ų137.680%0.80476%0.755SS**  trans-80.2133.8176.4-169.1174.9-4500110.1
276Q34.1Very low35Very low155 Ų155141.4 Ų141.472%0.72477%0.768SS**  trans94.2106.6154.2-126.4158.5-41.500119.9
277R33.5Very low34.2Very low203 Ų203143.9 Ų143.977%0.76677%0.765SS**  54.2112.4124.1-162.9176.2-72.7-100.21.5119.6
278E35.1Very low33.9Very low161 Ų161144.6 Ų144.675%0.75277%0.769SS**  trans75.6122.1152.1-79.7172.3161.600120.4
279E34.7Very low33.4Very low167 Ų167148.1 Ų148.178%0.7878%0.777SS**  trans59.395.3147.1-68-72.4151.400118.3
280L29.8Very low33.1Very low150 Ų150148.9 Ų148.979%0.78578%0.782SS**  170.9153.3108.5-121.173.2000112.2
281S35.7Very low33Very low105 Ų105146.7 Ų146.773%0.73478%0.782SS**  trans-27.2133.7167.356.30000118.2
282A29Very low32.8Very low91 Ų91151.9 Ų151.975%0.75279%0.793SS**  trans-164.3116.7141.700000110.7
283V33Very low32.6Very low146 Ų146153 Ų15389%0.88580%0.795SS**  trans-103114.7162.4175.30000107.3
284T33.4Very low32.4Very low125 Ų125150.4 Ų150.477%0.76779%0.791SS**  trans-73.6126.3-179.6-43.50000110.3
285V31Very low32.2Very low105 Ų105151.1 Ų151.164%0.63678%0.783SS**  trans-85.7126.1178.6-170.20000109.3W287V285-W287 HydrophobicContact CG1-CZ2 4.31Å
286V32.5Very low31.9Very low125 Ų125151 Ų15176%0.75878%0.78SS**  trans-110120172.2-179.10000108.4
287W26.9Very low31.7Very low230 Ų230150.9 Ų150.987%0.87178%0.784SS**  trans-94.6134.6175-64.491.5000110V285V285-W287 HydrophobicContact CG1-CZ2 4.31Å
288V31.7Very low31.6Very low129 Ų129149.9 Ų149.978%0.78279%0.785SS**  trans-122.1124.3170.2-178.90000108.1
289Q29.2Very low31.4Very low192 Ų192153.5 Ų153.590%0.89779%0.792SS**  trans-108.2129.9-176.8-160.2170.6-5.900109
290T31.5Very low31.1Very low126 Ų126153.2 Ų153.277%0.77379%0.788SS**  trans-112.6120.1178.9-54.80000110.3
291Q31.7Very low31.2Very low196 Ų196155 Ų15592%0.91679%0.786SS**  trans-84.1140.2166-84.7-167.5-46.900110.5
292R31.9Very low31Very low243 Ų243157.1 Ų157.192%0.91779%0.785SS**  trans-119.5119.3173.1-173.3174.4-72177.7-1.8109.7
293S32Very low31.1Very low117 Ų117155.7 Ų155.782%0.81878%0.779SS**  trans-93.7146.2172.6-1780000111.2
294S29.8Very low31.1Very low96 Ų96155.5 Ų155.567%0.67177%0.768SS**  trans-73152.6-179.9162.80000113.7
295E32.9Very low30.9Very low140 Ų140157.8 Ų157.865%0.65476%0.764SS**  149.4135112-163.2151.7-178.100116.9
296K30.9Very low31.3Very low168 Ų168165.6 Ų165.673%0.7379%0.789SS**  trans74.9136.1159-76.8161.1-165.9152.20119.2
297D30Very low31.3Very low153 Ų153167.6 Ų167.682%0.81879%0.791SS**  -158.6164.652-157.27000115.2
298K31.8Very low31.5Very low182 Ų182164.3 Ų164.379%0.79179%0.786SS**  trans-94.9162-169-63.2171.1175.2178.40114.9
299R29.6Very low31.5Very low238 Ų238166.3 Ų166.390%0.89879%0.787SS**  trans175.1108.5139.4-100.8-174.6-75.6-166.90.1108.3
300F28.4Very low31.6Very low160 Ų160164.8 Ų164.870%0.70278%0.78SS**  44120.675.8-115.3-92.6000112.8
301Y33Very low31.6Very low188 Ų188167.2 Ų167.274%0.73778%0.781SS**  -15213860.5-78.7-91.3000110.4
302E31.6Very low31.6Very low150 Ų150165.3 Ų165.370%0.70177%0.772SS**  69.7131.679.4-154.7163.7-161.900112.5
303G29.8Very low31.6Very low61 Ų61159.7 Ų159.763%0.62976%0.761SS**  cis-160.2155.6400000108.3
304E32.8Very low31.6Very low141 Ų141163 Ų16366%0.65976%0.757SS**  70.5128.678.9-122.7179.1-175.500111.2
305Y30.9Very low31.7Very low173 Ų173168.6 Ų168.668%0.67876%0.764SS**  cis-166.5154.246.3-97.5-83.5000112.1
306K39.2Very low31.6Very low269 Ų269171.2 Ų171.2100%1.1777%0.774SS**  trans730152.9-74.1-178.3-179.6179.70119.6

Retrieved 306 of 306 residues in 137.4 ms (Link to these results)