G4VPP0_SCHMA Loading...

Rhodanese domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession G4VPP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 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
1M51.3Low70.1Confident242 Ų242122.4 Ų122.4100%1.19262%0.621SS**  0100.50-80.4161.774.600108.3G3M1-G3 PolarHBondContact O-N 3.28Å
2M58.5Low71.3Confident143 Ų143121.8 Ų121.870%0.70462%0.619SS**  trans-70.3110.4172.2-135.4149.570.300106.7R4 V7M2-R4 PolarHBondContact O-N 2.83Å; M2-V7 HydrophobicContact CE-CG2 4.46Å
3G59.6Low72.4Confident47 Ų47118.6 Ų118.649%0.48561%0.609SS.*  trans-57.3138.6-175.700000110.4M1 G5 S6M1-G3 PolarHBondContact O-N 3.28Å; G3-G5 PolarHBondContact O-N 3.07Å; G3-S6 WeakPolarHBondContact O-CB 3.14Å; G3-S6 PolarHBondContact O-N 3.37Å
4R67.9Low73.2Confident233 Ų233117.9 Ų117.988%0.87961%0.606SS**Hα-helixtrans-49.9-26.5-176.7-65.5172.380.3113.5-3.2113.3M2M2-R4 PolarHBondContact O-N 2.83Å
5G66.9Low73.9Confident46 Ų46114.8 Ų114.847%0.47460%0.595SS.*Hα-helixtrans-70-30.8173.800000115.5G3 I9G3-G5 PolarHBondContact O-N 3.07Å; G5-I9 WeakPolarHBondContact O-CG1 3.37Å; G5-I9 PolarHBondContact O-N 2.73Å
6S72.3Confident74.7Confident44 Ų44111.7 Ų111.731%0.30858%0.583SS.*Hα-helixtrans-70.3-35.4179.6-176.30000111.9G3 L8 I9 W10G3-S6 WeakPolarHBondContact O-CB 3.14Å; G3-S6 PolarHBondContact O-N 3.37Å; S6-L8 PolarHBondContact O-N 2.73Å; S6-I9 PolarHBondContact O-N 3.21Å; S6-W10 PolarHBondContact O-N 3.09Å; S6-W10 VanDerWaalsContact O-N 3.17Å
7V75.3Confident75.1Confident59 Ų59108.2 Ų108.236%0.35857%0.574SS.*Hα-helixtrans-63.5-41.8178.4-178.80000111.1M2 I9 W10 F11M2-V7 HydrophobicContact CE-CG2 4.46Å; V7-I9 PolarHBondContact O-N 3.33Å; V7-W10 PolarHBondContact O-N 2.97Å; V7-F11 HydrophobicContact CG1-CD2 3.72Å; V7-F11 HydrophobicContact CG1-CE2 3.6Å; V7-F11 VanDerWaalsContact O-CD2 3.27Å; V7-F11 WeakPolarHBondContact O-CD2 3.45Å; V7-F11 PolarHBondContact O-N 3.27Å
8L76.4Confident75.5Confident125 Ų125107.1 Ų107.165%0.65457%0.572SS**Hα-helixtrans-63.6-39.4178.2-75.2164000112.6S6 F11 L12S6-L8 PolarHBondContact O-N 2.73Å; L8-F11 PolarHBondContact O-N 3.44Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 3Å
9I79.4Confident75.8Confident112 Ų112107.3 Ų107.357%0.57457%0.572SS**Hα-helixtrans-63.6-45.6177.1-64.7165.7000110.2G5 S6 V7 F11 L12 V13G5-I9 WeakPolarHBondContact O-CG1 3.37Å; G5-I9 PolarHBondContact O-N 2.73Å; S6-I9 PolarHBondContact O-N 3.21Å; V7-I9 PolarHBondContact O-N 3.33Å; I9-F11 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.31Å; I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 VanDerWaalsContact O-CG2 3.31Å; I9-V13 WeakPolarHBondContact O-CG2 3.31Å; I9-V13 PolarHBondContact O-N 3.38Å
10W79.8Confident75.9Confident160 Ų160106.3 Ų106.361%0.60657%0.566SS**Hα-helixtrans-63.1-40177.4-76.7111.6000112.5S6 V7 L12 V13 L14S6-W10 PolarHBondContact O-N 3.09Å; S6-W10 VanDerWaalsContact O-N 3.17Å; V7-W10 PolarHBondContact O-N 2.97Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.75Å; W10-V13 PolarHBondContact O-N 3.42Å; W10-L14 WeakPolarHBondContact O-CB 3.35Å; W10-L14 PolarHBondContact O-N 3.48Å
11F84.1Confident75.6Confident135 Ų135104.4 Ų104.459%0.59257%0.565SS**Hα-helixtrans-60.9-42.4173.4-89.3-72.6000112.1V7 L8 I9 L14 T15V7-F11 HydrophobicContact CG1-CD2 3.72Å; V7-F11 HydrophobicContact CG1-CE2 3.6Å; V7-F11 VanDerWaalsContact O-CD2 3.27Å; V7-F11 WeakPolarHBondContact O-CD2 3.45Å; V7-F11 PolarHBondContact O-N 3.27Å; L8-F11 PolarHBondContact O-N 3.44Å; I9-F11 PolarHBondContact O-N 2.86Å; F11-L14 PolarHBondContact O-N 3.47Å; F11-T15 VanDerWaalsContact O-CG2 3.31Å; F11-T15 WeakPolarHBondContact O-CG2 3.16Å; F11-T15 PolarHBondContact O-N 2.96Å; F11-T15 PolarHBondContact O-OG1 3.16Å
12L84.5Confident76.8Confident115 Ų11595.3 Ų95.360%0.60253%0.525SS*.Hα-helixtrans-69.7-37.8-179.3-145.4151.1000111.9L8 I9 W10 T15 V16L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 3Å; I9-L12 PolarHBondContact O-N 3.31Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L12 PolarHBondContact O-N 2.75Å; L12-T15 WeakPolarHBondContact CA-OG1 3.32Å; L12-T15 PolarHBondContact O-N 3.22Å; L12-T15 PolarHBondContact O-OG1 3.29Å; L12-V16 HydrophobicContact CD2-CG2 4.03Å; L12-V16 WeakPolarHBondContact O-CB 3.32Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.28Å; L12-V16 PolarHBondContact O-N 3.33Å
13V84.7Confident77.3Confident81 Ų8198.3 Ų98.349%0.49153%0.53SS..Hα-helixtrans-63.2-43.1172.5172.20000110.8I9 W10 V16 A17I9-V13 HydrophobicContact CG2-CG2 4.38Å; I9-V13 VanDerWaalsContact O-CG2 3.31Å; I9-V13 WeakPolarHBondContact O-CG2 3.31Å; I9-V13 PolarHBondContact O-N 3.38Å; W10-V13 PolarHBondContact O-N 3.42Å; V13-V16 PolarHBondContact O-N 2.77Å; V13-A17 WeakPolarHBondContact O-CB 3.21Å; V13-A17 PolarHBondContact O-N 3.32Å
14L84Confident77.5Confident109 Ų109100.9 Ų100.957%0.57153%0.532SS*.Hα-helixtrans-66.2-42.4178.5-122.1150.4000112W10 F11 A17 V18W10-L14 WeakPolarHBondContact O-CB 3.35Å; W10-L14 PolarHBondContact O-N 3.48Å; F11-L14 PolarHBondContact O-N 3.47Å; L14-A17 PolarHBondContact O-N 3.13Å; L14-V18 HydrophobicContact CD2-CG2 4.38Å; L14-V18 WeakPolarHBondContact O-CB 3.29Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.06Å; L14-V18 PolarHBondContact O-N 3.19Å
15T84.1Confident77Confident71 Ų7199.1 Ų99.144%0.43653%0.525SS..Hα-helixtrans-67.2-40.5177.756.60000111.7F11 L12 V18 L19F11-T15 VanDerWaalsContact O-CG2 3.31Å; F11-T15 WeakPolarHBondContact O-CG2 3.16Å; F11-T15 PolarHBondContact O-N 2.96Å; F11-T15 PolarHBondContact O-OG1 3.16Å; L12-T15 WeakPolarHBondContact CA-OG1 3.32Å; L12-T15 PolarHBondContact O-N 3.22Å; L12-T15 PolarHBondContact O-OG1 3.29Å; T15-V18 PolarHBondContact O-N 3.2Å; T15-L19 WeakPolarHBondContact O-CB 3.37Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.36Å; T15-L19 PolarHBondContact O-N 2.78Å
16V86.2Confident76.4Confident65 Ų65100.9 Ų100.939%0.39453%0.528SS..Hα-helixtrans-63.9-43.1173.9171.30000110.7L12 V13 V18 L19 I20L12-V16 HydrophobicContact CD2-CG2 4.03Å; L12-V16 WeakPolarHBondContact O-CB 3.32Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.28Å; L12-V16 PolarHBondContact O-N 3.33Å; V13-V16 PolarHBondContact O-N 2.77Å; V16-V18 PolarHBondContact O-N 3.16Å; V16-L19 PolarHBondContact O-N 3.37Å; V16-I20 HydrophobicContact CG1-CD1 3.58Å; V16-I20 HydrophobicContact CG1-CG1 4.17Å; V16-I20 VanDerWaalsContact O-CB 3.29Å; V16-I20 WeakPolarHBondContact O-CB 3.48Å; V16-I20 WeakPolarHBondContact O-CG1 3.5Å; V16-I20 PolarHBondContact O-N 3.47Å
17A81.9Confident75.5Confident53 Ų53104.7 Ų104.744%0.43854%0.54SS..Hα-helixtrans-62.2-40.2175.900000112.6V13 L14 A21V13-A17 WeakPolarHBondContact O-CB 3.21Å; V13-A17 PolarHBondContact O-N 3.32Å; L14-A17 PolarHBondContact O-N 3.13Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 3.21Å
18V82.1Confident74.5Confident88 Ų88108.6 Ų108.653%0.53356%0.558SS.*Hα-helixtrans-67.4-41.5175.1171.20000111.4L14 T15 V16 A21 S22L14-V18 HydrophobicContact CD2-CG2 4.38Å; L14-V18 WeakPolarHBondContact O-CB 3.29Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.06Å; L14-V18 PolarHBondContact O-N 3.19Å; T15-V18 PolarHBondContact O-N 3.2Å; V16-V18 PolarHBondContact O-N 3.16Å; V18-A21 PolarHBondContact O-N 3.44Å; V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.18Å; V18-S22 PolarHBondContact O-N 3.26Å; V18-S22 PolarHBondContact O-OG 3.19Å
19L80.4Confident73.3Confident111 Ų111108.6 Ų108.658%0.58156%0.555SS**Hα-helixtrans-65.1-44.1176.4-73.3169.8000111.3T15 V16 S22 Y23T15-L19 WeakPolarHBondContact O-CB 3.37Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.36Å; T15-L19 PolarHBondContact O-N 2.78Å; V16-L19 PolarHBondContact O-N 3.37Å; L19-S22 WeakPolarHBondContact CA-OG 3.39Å; L19-S22 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-OG 3Å; L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 3.46Å
20I77.9Confident72.2Confident87 Ų87107.3 Ų107.345%0.44655%0.548SS..Hα-helixtrans-59.2-49.3173-71.2173.1000110V16 S22 Y23 I24V16-I20 HydrophobicContact CG1-CD1 3.58Å; V16-I20 HydrophobicContact CG1-CG1 4.17Å; V16-I20 VanDerWaalsContact O-CB 3.29Å; V16-I20 WeakPolarHBondContact O-CB 3.48Å; V16-I20 WeakPolarHBondContact O-CG1 3.5Å; V16-I20 PolarHBondContact O-N 3.47Å; I20-S22 VanDerWaalsContact C-N 3.28Å; I20-S22 PolarHBondContact O-N 3.06Å; I20-Y23 PolarHBondContact O-N 3.06Å; I20-I24 HydrophobicContact CG2-CD1 3.29Å; I20-I24 HydrophobicContact CG2-CG1 4.05Å; I20-I24 WeakPolarHBondContact O-CB 3.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.88Å
21A71.4Confident71Confident66 Ų66102.3 Ų102.355%0.54554%0.538SS..Hα-helixtrans-62.8-34.5177.500000112.7A17 V18A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 3.21Å; V18-A21 PolarHBondContact O-N 3.44Å
22S74.7Confident69.4Low51 Ų51104.5 Ų104.536%0.35754%0.542SS..Hα-helixtrans-72.3-29.9176.575.90000113.2V18 L19 I20V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.18Å; V18-S22 PolarHBondContact O-N 3.26Å; V18-S22 PolarHBondContact O-OG 3.19Å; L19-S22 WeakPolarHBondContact CA-OG 3.39Å; L19-S22 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-OG 3Å; I20-S22 VanDerWaalsContact C-N 3.28Å; I20-S22 PolarHBondContact O-N 3.06Å
23Y70.5Confident67.8Low207 Ų207109.2 Ų109.281%0.81255%0.552SS**Hα-helixtrans-88-29.4177.6-162.2-100000112.4L19 I20 R25L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 3.46Å; I20-Y23 PolarHBondContact O-N 3.06Å; Y23-R25 PolarHBondContact O-N 2.84Å; Y23-R25 VanDerWaalsContact O-N 3.12Å
24I62Low66.6Low101 Ų101114.4 Ų114.452%0.51857%0.568SS.*  trans-83.633.7174.4-55.9176.8000111.3I20 P26I20-I24 HydrophobicContact CG2-CD1 3.29Å; I20-I24 HydrophobicContact CG2-CG1 4.05Å; I20-I24 WeakPolarHBondContact O-CB 3.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.88Å; I24-P26 WeakPolarHBondContact O-CD 3.18Å
25R58.3Low65.3Low196 Ų196113.8 Ų113.874%0.7457%0.569SS**THydrogen-bonded Turntrans-68.911.9162.7-72.8-169.4179.7132.5-4.4117.1Y23 F27Y23-R25 PolarHBondContact O-N 2.84Å; Y23-R25 VanDerWaalsContact O-N 3.12Å; R25-F27 VanDerWaalsContact C-N 3.26Å; R25-F27 PolarHBondContact O-N 3.26Å
26P54.1Low64.1Low83 Ų83115.8 Ų115.854%0.53959%0.586SS.*THydrogen-bonded Turntrans-78.73.2165.3-5.221.3000115I24 D28 H29I24-P26 WeakPolarHBondContact O-CD 3.18Å; P26-D28 VanDerWaalsContact C-N 3.28Å; P26-D28 PolarHBondContact O-N 3.26Å; P26-H29 PolarHBondContact O-N 3.12Å
27F53.7Low63.1Low124 Ų124121.8 Ų121.854%0.54461%0.61SS.*Hα-helixtrans-70.7-17-174.2-161.5-101000114.9R25 H29 I30R25-F27 VanDerWaalsContact C-N 3.26Å; R25-F27 PolarHBondContact O-N 3.26Å; F27-H29 PolarHBondContact O-N 3.39Å; F27-H29 VanDerWaalsContact O-N 3.15Å; F27-I30 HydrophobicContact CD2-CB 3.96Å; F27-I30 HydrophobicContact CD2-CD1 3.94Å; F27-I30 HydrophobicContact CD2-CG1 4.5Å; F27-I30 HydrophobicContact CD2-CG2 4.2Å; F27-I30 HydrophobicContact CE2-CB 3.97Å; F27-I30 HydrophobicContact CE2-CD1 4.39Å; F27-I30 HydrophobicContact CE2-CG2 3.72Å; F27-I30 HydrophobicContact CZ-CG2 4.31Å; F27-I30 PolarHBondContact O-N 2.81Å
28D54Low62.5Low141 Ų141125 Ų12575%0.75461%0.614SS**Hα-helixtrans-67.1-15.3175.8-67.8-26.2000113P26 S31P26-D28 VanDerWaalsContact C-N 3.28Å; P26-D28 PolarHBondContact O-N 3.26Å; D28-S31 PolarHBondContact O-OG 2.87Å
29H52.2Low62.8Low124 Ų124124.6 Ų124.657%0.57462%0.615SS**Hα-helixtrans-95.6-19.1175.5-146.7-88.9000113.7P26 F27P26-H29 PolarHBondContact O-N 3.12Å; F27-H29 PolarHBondContact O-N 3.39Å; F27-H29 VanDerWaalsContact O-N 3.15Å
30I54.9Low63.5Low85 Ų85121.2 Ų121.244%0.43660%0.599SS.*Hα-helixtrans-80.4-31.2-178.6-68.2169.2000111.2F27 R32 W33F27-I30 HydrophobicContact CD2-CB 3.96Å; F27-I30 HydrophobicContact CD2-CD1 3.94Å; F27-I30 HydrophobicContact CD2-CG1 4.5Å; F27-I30 HydrophobicContact CD2-CG2 4.2Å; F27-I30 HydrophobicContact CE2-CB 3.97Å; F27-I30 HydrophobicContact CE2-CD1 4.39Å; F27-I30 HydrophobicContact CE2-CG2 3.72Å; F27-I30 HydrophobicContact CZ-CG2 4.31Å; F27-I30 PolarHBondContact O-N 2.81Å; I30-R32 PolarHBondContact O-N 2.79Å; I30-W33 PolarHBondContact O-N 3.29Å; I30-W33 VanDerWaalsContact O-N 3.13Å
31S54.7Low64.4Low56 Ų56120.3 Ų120.339%0.39260%0.595SS.*Hα-helixtrans-60-30.8175.562.70000112.8D28 W33 F34 T35D28-S31 PolarHBondContact O-OG 2.87Å; S31-W33 PolarHBondContact O-N 2.91Å; S31-F34 PolarHBondContact O-N 2.91Å; S31-T35 PolarHBondContact O-N 3Å
32R51.3Low65.7Low180 Ų180118 Ų11868%0.67957%0.573SS**Hα-helixtrans-63.1-23.3176.7-72.6-177.866.7137.8-2.6114.1I30 T35I30-R32 PolarHBondContact O-N 2.79Å; R32-T35 PolarHBondContact O-OG1 2.76Å
33W51.4Low66.7Low215 Ų215119.5 Ų119.581%0.81458%0.577SS**Hα-helixtrans-82.7-17.8178.1-72.283.8000113.3I30 S31I30-W33 PolarHBondContact O-N 3.29Å; I30-W33 VanDerWaalsContact O-N 3.13Å; S31-W33 PolarHBondContact O-N 2.91Å
34F58.9Low68Low189 Ų189109.8 Ų109.883%0.82954%0.539SS*.Hα-helixtrans-102.9-5.3179.8-85.2-84.3000113.9S31S31-F34 PolarHBondContact O-N 2.91Å
35T56.5Low69.7Low96 Ų96111.7 Ų111.759%0.58954%0.544SS*.SBendtrans-83.9116.9173.450.70000110S31 R32 E37S31-T35 PolarHBondContact O-N 3Å; R32-T35 PolarHBondContact O-OG1 2.76Å; T35-E37 PolarHBondContact O-N 3.39Å
36S58.7Low71.5Confident113 Ų113109 Ų10979%0.7953%0.534SS*.  trans-39.7128.4162.31790000109.1K38S36-K38 PolarHBondContact O-N 3.32Å
37E64.5Low73.5Confident192 Ų192105.1 Ų105.190%0.89751%0.508SS*.  trans-52.8103.9178.8-170.8171.7-161.600108.5T35 S39T35-E37 PolarHBondContact O-N 3.39Å; E37-S39 PolarHBondContact O-N 3.37Å
38K71.1Confident75.5Confident119 Ų119102.3 Ų102.352%0.51750%0.496SS..  trans-74.5119.2-174.5-175.8179.4171.1-167.90106.6S36 V40 N135S36-K38 PolarHBondContact O-N 3.32Å; K38-V40 PolarHBondContact O-N 2.58Å; K38-V40 VanDerWaalsContact O-N 3.12Å; K38-N135 PolarHBondContact NZ-OD1 2.99Å
39S87.4Confident77.5Confident80 Ų8099.9 Ų99.956%0.55948%0.48SS*.  trans-51.3120.3172.4171.40000109.7E37 D41E37-S39 PolarHBondContact O-N 3.37Å; S39-D41 PolarHBondContact OG-N 2.78Å; S39-D41 PolarHBondContact OG-O 3.22Å
40V95.3Very high79.6Confident41 Ų4194.3 Ų94.325%0.24846%0.455CS..  trans-77-17.8170.2-61.30000111.6K38 M122 L125 L137 N138K38-V40 PolarHBondContact O-N 2.58Å; K38-V40 VanDerWaalsContact O-N 3.12Å; V40-M122 HydrophobicContact CG2-CE 4.17Å; V40-M122 HydrophobicContact CG2-SD 4.36Å; V40-L125 HydrophobicContact CB-CD1 3.92Å; V40-L125 HydrophobicContact CG2-CD1 4.28Å; V40-L137 CarbonylContact O-C 3.54Å; V40-L137 WeakPolarHBondContact O-CA 3.31Å; V40-N138 PolarHBondContact O-N 3.36Å
41D97.2Very high81.5Confident68 Ų6892.4 Ų92.436%0.36444%0.444SS..EExtended strand (participates in β ladder)trans-83.4134.6-178.2-81.1-26.7000111.5S39 M122 N138 V140S39-D41 PolarHBondContact OG-N 2.78Å; S39-D41 PolarHBondContact OG-O 3.22Å; D41-M122 WeakPolarHBondContact OD1-CE 3.16Å; D41-N138 WeakPolarHBondContact OD1-CB 3.47Å; D41-N138 PolarHBondContact OD1-ND2 2.73Å; D41-V140 HydrophobicContact CB-CG2 3.46Å; D41-V140 VanDerWaalsContact CB-CG2 3.46Å
42I97.3Very high83.4Confident16 Ų1696.8 Ų96.88%0.08246%0.456CS..EExtended strand (participates in β ladder)trans-126.5150.1170.766.1168.9000110.7R46 L47 M50 V112 L137 N138 L139 V140I42-R46 HydrophobicContact CB-CB 4.19Å; I42-R46 HydrophobicContact CB-CG 4.05Å; I42-R46 HydrophobicContact CG2-CG 3.99Å; I42-L47 HydrophobicContact CD1-CB 4.26Å; I42-L47 HydrophobicContact CD1-CD1 4.49Å; I42-M50 HydrophobicContact CD1-SD 3.84Å; I42-V112 HydrophobicContact CD1-CB 4.42Å; I42-V112 HydrophobicContact CD1-CG1 3.76Å; I42-V112 HydrophobicContact CD1-CG2 3.7Å; I42-V112 HydrophobicContact CG1-CG1 4.47Å; I42-L137 HydrophobicContact CD1-CB 4.48Å; I42-L137 HydrophobicContact CG2-CB 4.33Å; I42-L137 HydrophobicContact CG2-CD1 4.09Å; I42-L137 HydrophobicContact CG2-CD2 4.15Å; I42-L137 HydrophobicContact CG2-CG 4.42Å; I42-N138 PolarHBondContact N-O 2.95Å; I42-L139 HydrophobicContact CG1-CD1 4.36Å; I42-V140 PolarHBondContact O-N 2.81Å
43D97.5Very high85.1Confident84 Ų8490.4 Ų90.445%0.44944%0.439SS..  trans-92.3174.4171.664.911.8000111.8K45 R46 L47D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.06Å; D43-K45 PolarHBondContact OD1-N 2.69Å; D43-R46 PolarHBondContact O-N 3.33Å; D43-R46 WeakPolarHBondContact OD1-CB 3.45Å; D43-R46 PolarHBondContact OD1-N 3.35Å; D43-L47 PolarHBondContact O-N 3.11Å
44V97.4Very high86.8Confident2 Ų290.7 Ų90.71%0.01245%0.446CS..Hα-helixtrans-65.4-33.6179.7175.30000111.4L47 K48 L139 A145 W146 E149V44-L47 PolarHBondContact O-N 3.46Å; V44-K48 HydrophobicContact CG1-CD 4.28Å; V44-K48 HydrophobicContact CG1-CG 4.41Å; V44-K48 WeakPolarHBondContact O-CG 3.19Å; V44-K48 PolarHBondContact O-N 2.97Å; V44-L139 HydrophobicContact CG2-CD1 4.25Å; V44-A145 HydrophobicContact CG2-CB 3.8Å; V44-W146 HydrophobicContact CG1-CE3 3.77Å; V44-W146 HydrophobicContact CG1-CZ3 4.2Å; V44-W146 HydrophobicContact CG2-CB 4.5Å; V44-E149 VanDerWaalsContact CB-CD 3.47Å; V44-E149 HydrophobicContact CB-CG 4.45Å; V44-E149 WeakPolarHBondContact CB-OE1 3.3Å; V44-E149 WeakPolarHBondContact CB-OE2 3.45Å; V44-E149 HydrophobicContact CG1-CB 4.11Å; V44-E149 HydrophobicContact CG1-CG 4.35Å; V44-E149 WeakPolarHBondContact CG1-OE2 3.41Å
45K96.7Very high88.3Confident142 Ų14285.6 Ų85.662%0.61743%0.428SS*.Hα-helixtrans-60.1-48.6175.1-176.5-177.1178.7-176.80111D43 L47 K48 E49D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.06Å; D43-K45 PolarHBondContact OD1-N 2.69Å; K45-L47 VanDerWaalsContact C-N 3.35Å; K45-K48 PolarHBondContact O-N 2.56Å; K45-E49 PolarHBondContact O-N 2.79Å; K45-E49 VanDerWaalsContact O-N 3.09Å
46R96.4Very high90.2Very high140 Ų14082.3 Ų82.353%0.52841%0.406SS..Hα-helixtrans-64-40.9176.8-179.658.8-179.1178.72.9111.3I42 D43 K48 E49 M50I42-R46 HydrophobicContact CB-CB 4.19Å; I42-R46 HydrophobicContact CB-CG 4.05Å; I42-R46 HydrophobicContact CG2-CG 3.99Å; D43-R46 PolarHBondContact O-N 3.33Å; D43-R46 WeakPolarHBondContact OD1-CB 3.45Å; D43-R46 PolarHBondContact OD1-N 3.35Å; R46-K48 PolarHBondContact O-N 2.84Å; R46-E49 PolarHBondContact O-N 2.83Å; R46-M50 HydrophobicContact CG-SD 4.15Å; R46-M50 WeakPolarHBondContact O-CG 3.47Å; R46-M50 PolarHBondContact O-N 3.1Å
47L97Very high92Very high0 Ų078.1 Ų78.10%037%0.374CS..Hα-helixtrans-58.2-46.6173.6179.160.8000111.4I42 D43 V44 K45 E49 M50 M51 L56 L58 I73 V112 L139 W146I42-L47 HydrophobicContact CD1-CB 4.26Å; I42-L47 HydrophobicContact CD1-CD1 4.49Å; D43-L47 PolarHBondContact O-N 3.11Å; V44-L47 PolarHBondContact O-N 3.46Å; K45-L47 VanDerWaalsContact C-N 3.35Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 3.17Å; L47-M50 CarbonylContact O-C 3.53Å; L47-M50 WeakPolarHBondContact O-CA 3.42Å; L47-M50 WeakPolarHBondContact O-CB 3.14Å; L47-M50 PolarHBondContact O-N 3.23Å; L47-M51 HydrophobicContact CD1-CG 4.41Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 HydrophobicContact CG-SD 4.24Å; L47-M51 VanDerWaalsContact O-CG 3.28Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.85Å; L47-L56 HydrophobicContact CD1-CD1 4.25Å; L47-L56 HydrophobicContact CD1-CD2 3.97Å; L47-L58 HydrophobicContact CD1-CD1 4.25Å; L47-L58 HydrophobicContact CD1-CD2 4.5Å; L47-I73 HydrophobicContact CD2-CD1 4.21Å; L47-I73 HydrophobicContact CD2-CG2 4.33Å; L47-V112 HydrophobicContact CD1-CG1 4.28Å; L47-V112 HydrophobicContact CD1-CG2 4.41Å; L47-L139 HydrophobicContact CB-CD1 4.14Å; L47-L139 HydrophobicContact CD2-CD1 3.87Å; L47-L139 HydrophobicContact CD2-CD2 3.74Å; L47-L139 HydrophobicContact CD2-CG 4.4Å; L47-W146 HydrophobicContact CD2-CE3 4.1Å; L47-W146 HydrophobicContact CD2-CZ3 4.26Å
48K95.8Very high93.6Very high65 Ų6569.1 Ų69.128%0.28333%0.332SS..Hα-helixtrans-59-37.3176.6-75.2175.4175.7174.50112.4V44 K45 R46 M51 W146 E149 N150V44-K48 HydrophobicContact CG1-CD 4.28Å; V44-K48 HydrophobicContact CG1-CG 4.41Å; V44-K48 WeakPolarHBondContact O-CG 3.19Å; V44-K48 PolarHBondContact O-N 2.97Å; K45-K48 PolarHBondContact O-N 2.56Å; R46-K48 PolarHBondContact O-N 2.84Å; K48-M51 PolarHBondContact O-N 2.84Å; K48-W146 HydrophobicContact CG-CH2 4.48Å; K48-W146 HydrophobicContact CG-CZ3 4.03Å; K48-E149 IonicContact NZ-OE2 3.82Å; K48-N150 VanDerWaalsContact CE-OD1 3.32Å; K48-N150 WeakPolarHBondContact CE-OD1 3.21Å; K48-N150 PolarHBondContact NZ-OD1 3.45Å; K48-N150 VanDerWaalsContact NZ-OD1 3.16Å
49E95.6Very high94.9Very high91 Ų9163.4 Ų63.443%0.42531%0.307SS..Hα-helixtrans-66.2-42172.6-67.2-54.2131.200112.2K45 R46 L47 M51 K52K45-E49 PolarHBondContact O-N 2.79Å; K45-E49 VanDerWaalsContact O-N 3.09Å; R46-E49 PolarHBondContact O-N 2.83Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 3.17Å; E49-M51 VanDerWaalsContact C-N 3.29Å; E49-M51 PolarHBondContact O-N 3.13Å; E49-K52 WeakPolarHBondContact O-CB 3.42Å; E49-K52 PolarHBondContact O-N 3.24Å; E49-K52 IonicContact OE1-NZ 2.73Å; E49-K52 PolarHBondContact OE1-NZ 2.84Å; E49-K52 IonicContact OE2-NZ 2.73Å; E49-K52 PolarHBondContact OE2-NZ 3.05Å
50M95.4Very high95.4Very high7 Ų759.6 Ų59.63%0.03428%0.28CS..Hα-helixtrans-67.1-29.3175.9-64.117073.100112.5I42 R46 L47 K52 S53 L56 N110 V112 L137I42-M50 HydrophobicContact CD1-SD 3.84Å; R46-M50 HydrophobicContact CG-SD 4.15Å; R46-M50 WeakPolarHBondContact O-CG 3.47Å; R46-M50 PolarHBondContact O-N 3.1Å; L47-M50 CarbonylContact O-C 3.53Å; L47-M50 WeakPolarHBondContact O-CA 3.42Å; L47-M50 WeakPolarHBondContact O-CB 3.14Å; L47-M50 PolarHBondContact O-N 3.23Å; M50-K52 PolarHBondContact O-N 3.25Å; M50-S53 PolarHBondContact O-N 3.04Å; M50-S53 PolarHBondContact O-OG 2.8Å; M50-L56 HydrophobicContact CB-CD1 4.15Å; M50-L56 HydrophobicContact CE-CD1 3.99Å; M50-N110 HydrophobicContact CE-CB 3.97Å; M50-N110 WeakPolarHBondContact CE-OD1 3.43Å; M50-V112 HydrophobicContact CE-CG2 3.65Å; M50-V112 HydrophobicContact SD-CG2 4.26Å; M50-L137 HydrophobicContact CE-CD1 3.67Å; M50-L137 HydrophobicContact SD-CD1 4.24Å
51M95.1Very high95.6Very high45 Ų4557.7 Ų57.722%0.22227%0.269CS..THydrogen-bonded Turntrans-66.3-16.4175.3-70.2172.380.900113L47 K48 E49 S53 L56 P74 Y75 W146L47-M51 HydrophobicContact CD1-CG 4.41Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 HydrophobicContact CG-SD 4.24Å; L47-M51 VanDerWaalsContact O-CG 3.28Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 2.85Å; K48-M51 PolarHBondContact O-N 2.84Å; E49-M51 VanDerWaalsContact C-N 3.29Å; E49-M51 PolarHBondContact O-N 3.13Å; M51-S53 VanDerWaalsContact C-N 3.29Å; M51-L56 HydrophobicContact CB-CD2 4.25Å; M51-L56 HydrophobicContact CG-CD2 3.48Å; M51-L56 VanDerWaalsContact CG-CD2 3.48Å; M51-P74 HydrophobicContact CE-CB 3.95Å; M51-P74 HydrophobicContact CE-CG 4.37Å; M51-Y75 HydrophobicContact CE-CD2 3.91Å; M51-Y75 HydrophobicContact CE-CE2 4.2Å; M51-W146 HydrophobicContact CE-CH2 3.94Å; M51-W146 HydrophobicContact SD-CH2 3.69Å; M51-W146 HydrophobicContact SD-CZ3 3.76Å
52K94.5Very high95.7Very high148 Ų14854.5 Ų54.564%0.64325%0.252SS*.THydrogen-bonded Turntrans-75.5-20.3173.2-59.2174.9-171.6167.80112.1E49 M50E49-K52 WeakPolarHBondContact O-CB 3.42Å; E49-K52 PolarHBondContact O-N 3.24Å; E49-K52 IonicContact OE1-NZ 2.73Å; E49-K52 PolarHBondContact OE1-NZ 2.84Å; E49-K52 IonicContact OE2-NZ 2.73Å; E49-K52 PolarHBondContact OE2-NZ 3.05Å; M50-K52 PolarHBondContact O-N 3.25Å
53S88.8Confident95.7Very high46 Ų4658.1 Ų58.132%0.32227%0.268SS..SBendtrans-91.6145.3174.771.10000110.9M50 M51 D55M50-S53 PolarHBondContact O-N 3.04Å; M50-S53 PolarHBondContact O-OG 2.8Å; M51-S53 VanDerWaalsContact C-N 3.29Å; S53-D55 WeakPolarHBondContact CB-OD1 3.45Å; S53-D55 PolarHBondContact O-N 2.74Å; S53-D55 PolarHBondContact OG-OD1 3.1Å
54K85.8Confident95.7Very high221 Ų22156.8 Ų56.896%0.96126%0.264SS*.THydrogen-bonded Turntrans-79.8-1.9-176.5-67.3-173.2178.4-178.40113.9
55D91.6Very high95.7Very high82 Ų8261.6 Ų61.644%0.43929%0.29SS..THydrogen-bonded Turntrans-104.73.5-173.366.7-25.4000113.3S53 K57 N110S53-D55 WeakPolarHBondContact CB-OD1 3.45Å; S53-D55 PolarHBondContact O-N 2.74Å; S53-D55 PolarHBondContact OG-OD1 3.1Å; D55-K57 PolarHBondContact O-N 2.66Å; D55-N110 PolarHBondContact OD1-ND2 2.85Å; D55-N110 PolarHBondContact OD2-ND2 2.81Å
56L95.5Very high95.8Very high27 Ų2756.7 Ų56.714%0.14127%0.269CS..  trans-62.2127.5173.7175.665.1000111L47 M50 M51 L58 V112L47-L56 HydrophobicContact CD1-CD1 4.25Å; L47-L56 HydrophobicContact CD1-CD2 3.97Å; M50-L56 HydrophobicContact CB-CD1 4.15Å; M50-L56 HydrophobicContact CE-CD1 3.99Å; M51-L56 HydrophobicContact CB-CD2 4.25Å; M51-L56 HydrophobicContact CG-CD2 3.48Å; M51-L56 VanDerWaalsContact CG-CD2 3.48Å; L56-L58 HydrophobicContact CD2-CB 4.34Å; L56-L58 HydrophobicContact CG-CB 4.24Å; L56-V112 HydrophobicContact CD1-CB 4.29Å; L56-V112 HydrophobicContact CD1-CG2 3.65Å
57K96.5Very high95.8Very high25 Ų2551.1 Ų51.111%0.10925%0.25CC..EExtended strand (participates in β ladder)trans-111.391.2172.7-56.5-64179.7174.60109.2D55 F101 P104 N110 V111 V112D55-K57 PolarHBondContact O-N 2.66Å; K57-F101 HydrophobicContact CB-CE1 4.32Å; K57-F101 HydrophobicContact CB-CZ 3.7Å; K57-F101 HydrophobicContact CD-CE1 4.17Å; K57-F101 HydrophobicContact CD-CE2 3.86Å; K57-F101 HydrophobicContact CD-CZ 3.36Å; K57-F101 HydrophobicContact CG-CZ 4.09Å; K57-P104 HydrophobicContact CB-CG 4.22Å; K57-P104 HydrophobicContact CG-CB 4.46Å; K57-P104 HydrophobicContact CG-CG 4.33Å; K57-N110 PolarHBondContact N-O 3.3Å; K57-V111 HydrophobicContact CB-CG1 4.49Å; K57-V111 HydrophobicContact CB-CG2 4.28Å; K57-V111 WeakPolarHBondContact O-CA 3.46Å; K57-V112 PolarHBondContact O-N 3.05Å
58L97.8Very high95.8Very high2 Ų258.8 Ų58.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-98.9121.3-176.8-178.762.1000111.7L47 L56 I73 A76 V77 V112L47-L58 HydrophobicContact CD1-CD1 4.25Å; L47-L58 HydrophobicContact CD1-CD2 4.5Å; L56-L58 HydrophobicContact CD2-CB 4.34Å; L56-L58 HydrophobicContact CG-CB 4.24Å; L58-I73 HydrophobicContact CD2-CB 3.91Å; L58-I73 HydrophobicContact CD2-CG2 3.51Å; L58-A76 HydrophobicContact CD2-CB 3.82Å; L58-A76 HydrophobicContact CG-CB 3.83Å; L58-A76 WeakPolarHBondContact O-CA 3.38Å; L58-V77 PolarHBondContact O-N 2.88Å; L58-V112 WeakPolarHBondContact CA-O 3.27Å; L58-V112 HydrophobicContact CD1-CB 3.81Å; L58-V112 HydrophobicContact CD1-CG1 3.66Å
59I98.5Very high95.8Very high0 Ų063.1 Ų63.10%031%0.307CS..EExtended strand (participates in β ladder)trans-121.2121-175-59.2167.2000109.6V61 V77 I79 F88 F101 P104 V111 V112 F113 S114I59-V61 HydrophobicContact CG2-CG1 4.12Å; I59-V77 CarbonylContact C-O 3.55Å; I59-V77 WeakPolarHBondContact CA-O 3.36Å; I59-I79 HydrophobicContact CD1-CD1 4.41Å; I59-I79 HydrophobicContact CG2-CB 3.83Å; I59-I79 HydrophobicContact CG2-CD1 3.99Å; I59-I79 HydrophobicContact CG2-CG1 3.92Å; I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CD1-CZ 3.53Å; I59-F101 HydrophobicContact CD1-CE1 4.44Å; I59-F101 HydrophobicContact CG1-CE1 4.28Å; I59-P104 HydrophobicContact CD1-CG 4.38Å; I59-V111 HydrophobicContact CD1-CG1 4.28Å; I59-V112 PolarHBondContact N-O 3.19Å; I59-F113 HydrophobicContact CB-CD1 4Å; I59-F113 HydrophobicContact CB-CE1 4.14Å; I59-F113 HydrophobicContact CD1-CE1 3.88Å; I59-F113 HydrophobicContact CD1-CZ 4.12Å; I59-F113 HydrophobicContact CG2-CD1 4.05Å; I59-F113 HydrophobicContact CG2-CE1 4.07Å; I59-F113 CarbonylContact O-C 3.48Å; I59-F113 WeakPolarHBondContact O-CA 3.44Å; I59-S114 PolarHBondContact O-N 2.9Å
60D98.6Very high95.7Very high0 Ų062.1 Ų62.10%031%0.307CS..EExtended strand (participates in β ladder)trans-96116.9174.3-166.4-28.3000109.7R62 A76 V77 N78 I79 S114D60-R62 VanDerWaalsContact OD1-CB 3.3Å; D60-R62 WeakPolarHBondContact OD1-CB 3.3Å; D60-R62 WeakPolarHBondContact OD1-CG 3.22Å; D60-R62 PolarHBondContact OD1-N 3.12Å; D60-R62 VanDerWaalsContact OD1-N 3.1Å; D60-R62 IonicContact OD1-NE 3.04Å; D60-R62 PolarHBondContact OD1-NE 3.14Å; D60-R62 IonicContact OD2-CZ 3.9Å; D60-R62 VanDerWaalsContact OD2-CZ 3.31Å; D60-R62 IonicContact OD2-NE 3.05Å; D60-R62 PolarHBondContact OD2-NE 3.3Å; D60-R62 IonicContact OD2-NH2 3.79Å; D60-R62 PolarHBondContact OD2-NH2 3.34Å; D60-A76 HydrophobicContact CB-CB 4.27Å; D60-V77 PolarHBondContact N-O 2.92Å; D60-N78 WeakPolarHBondContact O-CA 3.34Å; D60-N78 PolarHBondContact O-ND2 3.35Å; D60-I79 PolarHBondContact O-N 3.06Å; D60-S114 WeakPolarHBondContact CA-O 3.27Å
61V98.7Very high95.7Very high0 Ų063.2 Ų63.20%032%0.32CS..  trans-96.815.2-174.9-51.50000114.3I59 I79 L81 V84 F113 S114 C115 R120 A124I59-V61 HydrophobicContact CG2-CG1 4.12Å; V61-I79 VanDerWaalsContact CA-O 3.26Å; V61-I79 WeakPolarHBondContact CA-O 3.31Å; V61-I79 WeakPolarHBondContact CG1-O 3.49Å; V61-L81 HydrophobicContact CB-CB 4.33Å; V61-L81 PolarHBondContact O-N 2.63Å; V61-L81 VanDerWaalsContact O-N 3.08Å; V61-V84 HydrophobicContact CG1-CG2 3.96Å; V61-F113 HydrophobicContact CG1-CD1 3.8Å; V61-S114 WeakPolarHBondContact CG2-O 3.49Å; V61-S114 PolarHBondContact N-O 2.8Å; V61-C115 HydrophobicContact CG2-CB 3.7Å; V61-R120 HydrophobicContact CG2-CB 3.92Å; V61-A124 HydrophobicContact CB-CB 4.45Å; V61-A124 HydrophobicContact CG1-CB 3.77Å; V61-A124 HydrophobicContact CG2-CB 4.35Å
62R98.7Very high95.7Very high2 Ų266.4 Ų66.41%0.00833%0.332CS..SBendtrans-71.8165.4169.9-68.2-177-67.3158.82.7111.7D60 E66 L67 T70 G71 N78 C115D60-R62 VanDerWaalsContact OD1-CB 3.3Å; D60-R62 WeakPolarHBondContact OD1-CB 3.3Å; D60-R62 WeakPolarHBondContact OD1-CG 3.22Å; D60-R62 PolarHBondContact OD1-N 3.12Å; D60-R62 VanDerWaalsContact OD1-N 3.1Å; D60-R62 IonicContact OD1-NE 3.04Å; D60-R62 PolarHBondContact OD1-NE 3.14Å; D60-R62 IonicContact OD2-CZ 3.9Å; D60-R62 VanDerWaalsContact OD2-CZ 3.31Å; D60-R62 IonicContact OD2-NE 3.05Å; D60-R62 PolarHBondContact OD2-NE 3.3Å; D60-R62 IonicContact OD2-NH2 3.79Å; D60-R62 PolarHBondContact OD2-NH2 3.34Å; R62-E66 HydrophobicContact CB-CB 4.09Å; R62-E66 WeakPolarHBondContact CB-OE2 3.23Å; R62-L67 HydrophobicContact CB-CD1 3.57Å; R62-T70 PolarHBondContact NH1-OG1 3.04Å; R62-G71 PolarHBondContact NH2-O 3.47Å; R62-N78 PolarHBondContact O-ND2 2.98Å; R62-C115 HydrophobicContact CG-CB 4.13Å
63E98.4Very high95.8Very high92 Ų9259.4 Ų59.443%0.4330%0.302SS..  trans-70.1148.3170-59-51.613700110.2D65 E66 L67E63-D65 VanDerWaalsContact C-N 3.25Å; E63-D65 PolarHBondContact O-N 3.45Å; E63-E66 PolarHBondContact N-OE2 2.84Å; E63-E66 VanDerWaalsContact N-OE2 3.13Å; E63-E66 WeakPolarHBondContact O-CB 3.28Å; E63-E66 PolarHBondContact O-N 3.46Å; E63-L67 WeakPolarHBondContact O-CD1 3.42Å
64P97.6Very high96.1Very high56 Ų5660 Ų6036%0.36431%0.305SS..Hα-helixtrans-52.3-41.7-179.2-26.834.7000113.3E66 L67 E68 P80P64-E66 PolarHBondContact O-N 3.1Å; P64-L67 WeakPolarHBondContact O-CA 3.4Å; P64-L67 WeakPolarHBondContact O-CB 3.41Å; P64-L67 PolarHBondContact O-N 3.38Å; P64-E68 PolarHBondContact O-N 2.97Å; P64-P80 HydrophobicContact CG-CG 4.33Å
65D97.8Very high96.4Very high102 Ų10258.6 Ų58.655%0.54530%0.295SS..Hα-helixtrans-57.9-32.8178.8-62.71.3000113E63 L67 E68 Q69E63-D65 VanDerWaalsContact C-N 3.25Å; E63-D65 PolarHBondContact O-N 3.45Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-E68 PolarHBondContact O-N 3.36Å; D65-Q69 VanDerWaalsContact O-CG 3.24Å; D65-Q69 WeakPolarHBondContact O-CG 3.24Å; D65-Q69 PolarHBondContact O-N 3Å; D65-Q69 VanDerWaalsContact O-N 3.12Å; D65-Q69 PolarHBondContact O-NE2 2.77Å
66E97.6Very high96.6Very high40 Ų4054.8 Ų54.819%0.18728%0.275CS..Hα-helixtrans-68.7-35.6176.3-67.2-179.883.500111.5R62 E63 P64 T70 R120R62-E66 HydrophobicContact CB-CB 4.09Å; R62-E66 WeakPolarHBondContact CB-OE2 3.23Å; E63-E66 PolarHBondContact N-OE2 2.84Å; E63-E66 VanDerWaalsContact N-OE2 3.13Å; E63-E66 WeakPolarHBondContact O-CB 3.28Å; E63-E66 PolarHBondContact O-N 3.46Å; P64-E66 PolarHBondContact O-N 3.1Å; E66-T70 PolarHBondContact O-N 3.34Å; E66-T70 PolarHBondContact O-OG1 3.4Å; E66-R120 VanDerWaalsContact CD-NH2 3.31Å; E66-R120 IonicContact OE1-CZ 3.28Å; E66-R120 IonicContact OE1-NH1 2.66Å; E66-R120 IonicContact OE1-NH2 2.74Å; E66-R120 PolarHBondContact OE1-NH2 3.17Å; E66-R120 IonicContact OE2-CZ 2.66Å; E66-R120 VanDerWaalsContact OE2-CZ 3.28Å; E66-R120 IonicContact OE2-NH1 2.76Å; E66-R120 PolarHBondContact OE2-NH1 3.29Å; E66-R120 IonicContact OE2-NH2 3.31Å; E66-R120 PolarHBondContact OE2-NH2 3.43Å
67L97.2Very high96.7Very high23 Ų2354.8 Ų54.812%0.1228%0.276CS..Hα-helixtrans-71.3-37.6177.7-81.467.3000110.9R62 E63 P64 D65 G71 K72 N78R62-L67 HydrophobicContact CB-CD1 3.57Å; E63-L67 WeakPolarHBondContact O-CD1 3.42Å; P64-L67 WeakPolarHBondContact O-CA 3.4Å; P64-L67 WeakPolarHBondContact O-CB 3.41Å; P64-L67 PolarHBondContact O-N 3.38Å; D65-L67 VanDerWaalsContact C-N 3.34Å; L67-G71 CarbonylContact O-C 3.54Å; L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 2.82Å; L67-K72 HydrophobicContact CD2-CB 4.08Å; L67-K72 HydrophobicContact CD2-CD 4.19Å; L67-K72 HydrophobicContact CG-CB 4.08Å; L67-N78 HydrophobicContact CD2-CB 3.66Å
68E96.2Very high96.8Very high160 Ų16055.4 Ų55.475%0.74828%0.281SS*.Hα-helixtrans-63.3-42175.1-66.9-174.5174.600111.6P64 D65P64-E68 PolarHBondContact O-N 2.97Å; D65-E68 PolarHBondContact O-N 3.36Å
69Q95.5Very high96.8Very high157 Ų15755.3 Ų55.373%0.73428%0.28SS*.Hα-helixtrans-75.1-39.9-177.5-71.7171.148.800113.8D65D65-Q69 VanDerWaalsContact O-CG 3.24Å; D65-Q69 WeakPolarHBondContact O-CG 3.24Å; D65-Q69 PolarHBondContact O-N 3Å; D65-Q69 VanDerWaalsContact O-N 3.12Å; D65-Q69 PolarHBondContact O-NE2 2.77Å
70T94.3Very high96.9Very high69 Ų6955.8 Ų55.842%0.42328%0.283SS..Hα-helixtrans-113-12-168.563.70000113.8R62 E66 Y143R62-T70 PolarHBondContact NH1-OG1 3.04Å; E66-T70 PolarHBondContact O-N 3.34Å; E66-T70 PolarHBondContact O-OG1 3.4Å; T70-Y143 VanDerWaalsContact O-CZ 3.3Å; T70-Y143 PolarHBondContact O-OH 3.39Å
71G94.6Very high96.8Very high30 Ų3057.3 Ų57.331%0.30929%0.291SS..  trans85.5-175.7-168.100000113R62 L67R62-G71 PolarHBondContact NH2-O 3.47Å; L67-G71 CarbonylContact O-C 3.54Å; L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 2.82Å
72K95.3Very high96.8Very high112 Ų11260.6 Ų60.649%0.48733%0.325SS..  trans-138.4159.3-18066.9177.6-176170.60111.5L67 A76L67-K72 HydrophobicContact CD2-CB 4.08Å; L67-K72 HydrophobicContact CD2-CD 4.19Å; L67-K72 HydrophobicContact CG-CB 4.08Å; K72-A76 PolarHBondContact NZ-O 3.35Å; K72-A76 VanDerWaalsContact NZ-O 3.16Å
73I96.8Very high96.8Very high1 Ų163.8 Ų63.81%0.00534%0.34CS..  trans-63136.7170.6-52.7-176.7000108.2L47 L58 Y75 A76 L139 Y143 W146L47-I73 HydrophobicContact CD2-CD1 4.21Å; L47-I73 HydrophobicContact CD2-CG2 4.33Å; L58-I73 HydrophobicContact CD2-CB 3.91Å; L58-I73 HydrophobicContact CD2-CG2 3.51Å; I73-Y75 PolarHBondContact O-N 3.35Å; I73-A76 HydrophobicContact CB-CB 4.27Å; I73-A76 WeakPolarHBondContact O-CB 3.46Å; I73-A76 PolarHBondContact O-N 3.17Å; I73-A76 VanDerWaalsContact O-N 3.11Å; I73-L139 HydrophobicContact CD1-CD2 3.45Å; I73-L139 VanDerWaalsContact CD1-CD2 3.45Å; I73-Y143 HydrophobicContact CG1-CD2 3.92Å; I73-Y143 HydrophobicContact CG1-CE2 4.47Å; I73-W146 HydrophobicContact CB-CD2 4.35Å; I73-W146 HydrophobicContact CD1-CB 3.95Å; I73-W146 HydrophobicContact CD1-CD2 4.21Å; I73-W146 HydrophobicContact CD1-CE3 4.43Å; I73-W146 HydrophobicContact CD1-CG 3.97Å; I73-W146 HydrophobicContact CG1-CB 4.12Å; I73-W146 HydrophobicContact CG1-CD2 3.96Å; I73-W146 HydrophobicContact CG1-CG 3.69Å; I73-W146 HydrophobicContact CG2-CD2 3.77Å; I73-W146 HydrophobicContact CG2-CE3 3.86Å; I73-W146 HydrophobicContact CG2-CG 4.42Å; I73-W146 HydrophobicContact CG2-CH2 4.07Å; I73-W146 HydrophobicContact CG2-CZ2 3.99Å; I73-W146 HydrophobicContact CG2-CZ3 4Å
74P94.9Very high96.8Very high59 Ų5959.4 Ų59.438%0.38332%0.32SS..THydrogen-bonded Turntrans-51.9140.7177.1-27.135.3000112.1M51 A76 W146M51-P74 HydrophobicContact CE-CB 3.95Å; M51-P74 HydrophobicContact CE-CG 4.37Å; P74-A76 PolarHBondContact O-N 3.15Å; P74-A76 VanDerWaalsContact O-N 3.1Å; P74-W146 HydrophobicContact CG-CZ2 3.98Å
75Y91.6Very high96.8Very high191 Ų19161.1 Ų61.175%0.74932%0.323SS*.THydrogen-bonded Turntrans65.4-1.1-177.7-43.1-69000116.2M51 I73M51-Y75 HydrophobicContact CE-CD2 3.91Å; M51-Y75 HydrophobicContact CE-CE2 4.2Å; I73-Y75 PolarHBondContact O-N 3.35Å
76A96.8Very high96.9Very high3 Ų361.4 Ų61.43%0.02532%0.324CS..PPolyproline II helixtrans-67.7135.4175.800000111.9L58 D60 K72 I73 P74L58-A76 HydrophobicContact CD2-CB 3.82Å; L58-A76 HydrophobicContact CG-CB 3.83Å; L58-A76 WeakPolarHBondContact O-CA 3.38Å; D60-A76 HydrophobicContact CB-CB 4.27Å; K72-A76 PolarHBondContact NZ-O 3.35Å; K72-A76 VanDerWaalsContact NZ-O 3.16Å; I73-A76 HydrophobicContact CB-CB 4.27Å; I73-A76 WeakPolarHBondContact O-CB 3.46Å; I73-A76 PolarHBondContact O-N 3.17Å; I73-A76 VanDerWaalsContact O-N 3.11Å; P74-A76 PolarHBondContact O-N 3.15Å; P74-A76 VanDerWaalsContact O-N 3.1Å
77V97.7Very high96.9Very high27 Ų2759.5 Ų59.516%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-99.3135.1171.6176.40000108.8L58 I59 D60 I79 F101L58-V77 PolarHBondContact O-N 2.88Å; I59-V77 CarbonylContact C-O 3.55Å; I59-V77 WeakPolarHBondContact CA-O 3.36Å; D60-V77 PolarHBondContact N-O 2.92Å; V77-I79 HydrophobicContact CG1-CG1 4.39Å; V77-F101 HydrophobicContact CB-CB 4.44Å; V77-F101 HydrophobicContact CB-CD1 4.43Å; V77-F101 HydrophobicContact CB-CG 4.24Å; V77-F101 HydrophobicContact CG1-CB 4.01Å; V77-F101 HydrophobicContact CG1-CD1 4.45Å; V77-F101 HydrophobicContact CG1-CG 4.27Å; V77-F101 HydrophobicContact CG2-CB 3.9Å; V77-F101 HydrophobicContact CG2-CD1 4.33Å; V77-F101 HydrophobicContact CG2-CD2 3.59Å; V77-F101 HydrophobicContact CG2-CE2 4.12Å; V77-F101 HydrophobicContact CG2-CG 3.7Å
78N98.5Very high96.9Very high38 Ų3858.7 Ų58.720%0.20331%0.311CS..EExtended strand (participates in β ladder)trans-86.9124179.9-176.3-135.4000110.5D60 R62 L67D60-N78 WeakPolarHBondContact O-CA 3.34Å; D60-N78 PolarHBondContact O-ND2 3.35Å; R62-N78 PolarHBondContact O-ND2 2.98Å; L67-N78 HydrophobicContact CD2-CB 3.66Å
79I98.5Very high97Very high0 Ų056.6 Ų56.60%030%0.3CS..  trans-136.694.7169.4-54.3-178.1000105.4I59 D60 V61 V77 E83 V84 A87 F88 F95 Y99I59-I79 HydrophobicContact CD1-CD1 4.41Å; I59-I79 HydrophobicContact CG2-CB 3.83Å; I59-I79 HydrophobicContact CG2-CD1 3.99Å; I59-I79 HydrophobicContact CG2-CG1 3.92Å; D60-I79 PolarHBondContact O-N 3.06Å; V61-I79 VanDerWaalsContact CA-O 3.26Å; V61-I79 WeakPolarHBondContact CA-O 3.31Å; V61-I79 WeakPolarHBondContact CG1-O 3.49Å; V77-I79 HydrophobicContact CG1-CG1 4.39Å; I79-E83 HydrophobicContact CG2-CB 4.25Å; I79-V84 HydrophobicContact CG2-CG2 4.09Å; I79-A87 HydrophobicContact CG2-CB 3.82Å; I79-F88 HydrophobicContact CD1-CE2 4.39Å; I79-F95 HydrophobicContact CD1-CE2 4.16Å; I79-F95 HydrophobicContact CD1-CZ 3.81Å; I79-Y99 HydrophobicContact CB-CE1 4.33Å; I79-Y99 HydrophobicContact CD1-CD1 4.2Å; I79-Y99 HydrophobicContact CD1-CD2 4.34Å; I79-Y99 HydrophobicContact CD1-CE1 4.42Å; I79-Y99 HydrophobicContact CD1-CG 4.17Å; I79-Y99 HydrophobicContact CG1-CD1 3.72Å; I79-Y99 HydrophobicContact CG1-CE1 3.85Å; I79-Y99 HydrophobicContact CG1-CG 4.19Å; I79-Y99 HydrophobicContact CG2-CE1 4.07Å
80P98.5Very high97.1Very high10 Ų1051.6 Ų51.67%0.06528%0.278CS..  trans-52.1146.1-176.6-27.435.7000111.7P64 G82 E83 V84P64-P80 HydrophobicContact CG-CG 4.33Å; P80-G82 PolarHBondContact O-N 2.82Å; P80-E83 PolarHBondContact O-N 3.16Å; P80-V84 PolarHBondContact O-N 2.87Å
81L98.6Very high97.3Very high31 Ų3152.5 Ų52.516%0.16228%0.28CS..G310 helixtrans-50.2-40.4-173.717562.8000112.8V61 E83 V84 R120 R123 A124 I127V61-L81 HydrophobicContact CB-CB 4.33Å; V61-L81 PolarHBondContact O-N 2.63Å; V61-L81 VanDerWaalsContact O-N 3.08Å; L81-E83 PolarHBondContact O-N 3.31Å; L81-V84 PolarHBondContact O-N 2.82Å; L81-R120 HydrophobicContact CD2-CB 3.97Å; L81-R120 HydrophobicContact CD2-CG 3.94Å; L81-R123 HydrophobicContact CD1-CB 4.07Å; L81-R123 HydrophobicContact CD2-CB 4.36Å; L81-A124 HydrophobicContact CD1-CB 3.84Å; L81-I127 HydrophobicContact CD1-CD1 4.15Å
82G98.2Very high97.4Very high70 Ų7057.5 Ų57.572%0.72230%0.295SS*.G310 helixtrans-65.8-20.6179.600000114.6P80P80-G82 PolarHBondContact O-N 2.82Å
83E98.2Very high97.5Very high69 Ų6959.5 Ų59.532%0.32230%0.304SS..G310 helixtrans-95.7-12.1178.5-65.6-168.6-147.400113.5I79 P80 L81 E85 D86 A87 K98 Y99I79-E83 HydrophobicContact CG2-CB 4.25Å; P80-E83 PolarHBondContact O-N 3.16Å; L81-E83 PolarHBondContact O-N 3.31Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 2.95Å; E83-D86 PolarHBondContact O-N 3.07Å; E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 3.19Å; E83-K98 WeakPolarHBondContact OE2-CE 3.11Å; E83-K98 IonicContact OE2-NZ 3Å; E83-K98 PolarHBondContact OE2-NZ 3.37Å; E83-Y99 PolarHBondContact OE2-OH 2.99Å
84V98.6Very high97.6Very high0 Ų061.7 Ų61.70%032%0.319CS..Hα-helixtrans-57.7-44.2-170.2170.60000112V61 I79 P80 L81 F88 A124 I127 V128V61-V84 HydrophobicContact CG1-CG2 3.96Å; I79-V84 HydrophobicContact CG2-CG2 4.09Å; P80-V84 PolarHBondContact O-N 2.87Å; L81-V84 PolarHBondContact O-N 2.82Å; V84-F88 HydrophobicContact CG1-CD2 4.02Å; V84-F88 HydrophobicContact CG1-CE2 4.24Å; V84-F88 WeakPolarHBondContact O-CB 3.36Å; V84-F88 VanDerWaalsContact O-CD2 3.23Å; V84-F88 WeakPolarHBondContact O-CD2 3.47Å; V84-F88 PolarHBondContact O-N 3.02Å; V84-A124 HydrophobicContact CG1-CB 4.12Å; V84-A124 HydrophobicContact CG2-CB 4.02Å; V84-I127 HydrophobicContact CG1-CB 4.45Å; V84-I127 HydrophobicContact CG1-CG2 4.12Å; V84-V128 HydrophobicContact CG1-CG1 3.79Å
85E98.4Very high97.7Very high92 Ų9258.9 Ų58.943%0.4330%0.301SS..Hα-helixtrans-62.8-50.5-178.4-170.4177.417300111.7E83 F88 K89 I127E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 2.95Å; E85-F88 PolarHBondContact O-N 2.94Å; E85-K89 HydrophobicContact CG-CD 4.38Å; E85-K89 WeakPolarHBondContact O-CG 3.38Å; E85-K89 PolarHBondContact O-N 3.04Å; E85-K89 WeakPolarHBondContact OE1-CE 3.48Å; E85-K89 IonicContact OE1-NZ 2.77Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; E85-I127 HydrophobicContact CB-CG2 3.7Å; E85-I127 HydrophobicContact CG-CG2 4.06Å
86D98.3Very high98Very high107 Ų10754.1 Ų54.157%0.57229%0.288SS*.Hα-helixtrans-65.1-42.6179.7-70.5-23.3000111.3E83 F88 K89 L90E83-D86 PolarHBondContact O-N 3.07Å; D86-F88 VanDerWaalsContact C-N 3.34Å; D86-F88 PolarHBondContact O-N 3.28Å; D86-K89 PolarHBondContact O-N 3.33Å; D86-L90 WeakPolarHBondContact O-CG 3.21Å; D86-L90 PolarHBondContact O-N 3.49Å
87A98.3Very high98.1Very high1 Ų160 Ų601%0.00832%0.315CS..Hα-helixtrans-54.2-51.2176.200000110.8I79 E83 K89 L90 F95 Y99I79-A87 HydrophobicContact CG2-CB 3.82Å; E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 3.19Å; A87-K89 PolarHBondContact O-N 2.95Å; A87-L90 WeakPolarHBondContact O-CB 3.34Å; A87-L90 PolarHBondContact O-N 3.16Å; A87-F95 HydrophobicContact CB-CE2 4.26Å; A87-F95 VanDerWaalsContact O-CD2 3.25Å; A87-F95 WeakPolarHBondContact O-CD2 3.21Å; A87-Y99 HydrophobicContact CB-CE2 3.48Å; A87-Y99 VanDerWaalsContact CB-CE2 3.48Å; A87-Y99 WeakPolarHBondContact CB-OH 3.43Å
88F97.8Very high98.1Very high5 Ų564.3 Ų64.32%0.02233%0.331CS..Hα-helixtrans-74-13.5-175.5-82.6-106.4000113.8I59 I79 V84 E85 D86 K103 P104 F113 V128 L131 Y133I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CD1-CZ 3.53Å; I79-F88 HydrophobicContact CD1-CE2 4.39Å; V84-F88 HydrophobicContact CG1-CD2 4.02Å; V84-F88 HydrophobicContact CG1-CE2 4.24Å; V84-F88 WeakPolarHBondContact O-CB 3.36Å; V84-F88 VanDerWaalsContact O-CD2 3.23Å; V84-F88 WeakPolarHBondContact O-CD2 3.47Å; V84-F88 PolarHBondContact O-N 3.02Å; E85-F88 PolarHBondContact O-N 2.94Å; D86-F88 VanDerWaalsContact C-N 3.34Å; D86-F88 PolarHBondContact O-N 3.28Å; F88-K103 VanDerWaalsContact O-CE 3.31Å; F88-K103 WeakPolarHBondContact O-CE 3.47Å; F88-K103 PolarHBondContact O-NZ 3.03Å; F88-P104 HydrophobicContact CE1-CG 4.23Å; F88-P104 HydrophobicContact CZ-CG 4.35Å; F88-F113 HydrophobicContact CE1-CZ 4.26Å; F88-F113 HydrophobicContact CE2-CE1 4.1Å; F88-F113 HydrophobicContact CE2-CZ 4.12Å; F88-F113 AromaticContact CZ-CE1 3.99Å; F88-F113 HydrophobicContact CZ-CE1 3.99Å; F88-F113 AromaticContact CZ-CZ 3.61Å; F88-F113 HydrophobicContact CZ-CZ 3.61Å; F88-V128 HydrophobicContact CB-CG1 4.17Å; F88-V128 HydrophobicContact CD1-CB 4.13Å; F88-V128 HydrophobicContact CD1-CG1 3.48Å; F88-V128 VanDerWaalsContact CD1-CG1 3.48Å; F88-V128 HydrophobicContact CD2-CG1 3.81Å; F88-V128 HydrophobicContact CE1-CB 4.33Å; F88-V128 HydrophobicContact CE1-CG1 3.73Å; F88-V128 HydrophobicContact CE2-CG1 4Å; F88-V128 HydrophobicContact CG-CG1 3.54Å; F88-V128 HydrophobicContact CZ-CG1 3.97Å; F88-L131 HydrophobicContact CB-CD1 3.64Å; F88-Y133 HydrophobicContact CB-CE2 4.41Å; F88-Y133 HydrophobicContact CD1-CD1 4.41Å; F88-Y133 HydrophobicContact CD1-CD2 4.13Å; F88-Y133 AromaticContact CD1-CE1 3.84Å; F88-Y133 HydrophobicContact CD1-CE1 3.84Å; F88-Y133 AromaticContact CD1-CE2 3.54Å; F88-Y133 HydrophobicContact CD1-CE2 3.54Å; F88-Y133 AromaticContact CD1-CZ 3.36Å; F88-Y133 WeakPolarHBondContact CD1-OH 3.31Å; F88-Y133 HydrophobicContact CE1-CD1 4.26Å; F88-Y133 AromaticContact CE1-CE1 3.83Å; F88-Y133 HydrophobicContact CE1-CE1 3.83Å; F88-Y133 HydrophobicContact CE1-CE2 4.32Å; F88-Y133 AromaticContact CE1-CZ 3.86Å; F88-Y133 HydrophobicContact CG-CE2 4.47Å
89K97.7Very high98Very high117 Ų11763.7 Ų63.751%0.50933%0.326SS..Hα-helixtrans-84.7-18.8170.3-72.5173.9-176173.80114.3E85 D86 A87 L131E85-K89 HydrophobicContact CG-CD 4.38Å; E85-K89 WeakPolarHBondContact O-CG 3.38Å; E85-K89 PolarHBondContact O-N 3.04Å; E85-K89 WeakPolarHBondContact OE1-CE 3.48Å; E85-K89 IonicContact OE1-NZ 2.77Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; D86-K89 PolarHBondContact O-N 3.33Å; A87-K89 PolarHBondContact O-N 2.95Å; K89-L131 HydrophobicContact CG-CD1 4.37Å; K89-L131 HydrophobicContact CG-CD2 4.12Å
90L97.9Very high97.9Very high52 Ų5271.4 Ų71.427%0.27236%0.36SS..SBendtrans-59.7150.7177.4-66175.4000112.1D86 A87 F95 K98 Y99 K103D86-L90 WeakPolarHBondContact O-CG 3.21Å; D86-L90 PolarHBondContact O-N 3.49Å; A87-L90 WeakPolarHBondContact O-CB 3.34Å; A87-L90 PolarHBondContact O-N 3.16Å; L90-F95 HydrophobicContact CB-CB 4.16Å; L90-K98 HydrophobicContact CD1-CD 4.39Å; L90-Y99 HydrophobicContact CD1-CE2 4.18Å; L90-K103 PolarHBondContact O-NZ 3.35Å
91D97.5Very high97.7Very high87 Ų8772.3 Ų72.347%0.46536%0.363SS..  trans-66.1163.4165.568.688.5000111.4K93 S94 F95D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.06Å; D91-K93 WeakPolarHBondContact OD1-CA 3.45Å; D91-K93 VanDerWaalsContact OD1-CB 3.3Å; D91-K93 WeakPolarHBondContact OD1-CB 3.34Å; D91-K93 PolarHBondContact OD1-N 3.08Å; D91-S94 PolarHBondContact O-N 2.66Å; D91-S94 PolarHBondContact OD1-N 3.3Å; D91-S94 PolarHBondContact OD1-OG 3.39Å; D91-S94 WeakPolarHBondContact OD2-CB 3.41Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; D91-F95 VanDerWaalsContact O-CB 3.32Å; D91-F95 WeakPolarHBondContact O-CB 3.3Å; D91-F95 PolarHBondContact O-N 3.16Å
92E97.3Very high97.5Very high135 Ų13576.7 Ų76.763%0.63138%0.383SS*.Hα-helixtrans-57.3-37.5-176.4-68.4-179.5-165.100113.4L96E92-L96 VanDerWaalsContact O-CB 3.23Å; E92-L96 WeakPolarHBondContact O-CB 3.41Å; E92-L96 PolarHBondContact O-N 2.96Å
93K97.7Very high97.4Very high155 Ų15575.1 Ų75.167%0.67436%0.356SS*.Hα-helixtrans-72-49.1-177.7179.4-174.2173.1-172.80110.3D91 F95 L96 E97D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.06Å; D91-K93 WeakPolarHBondContact OD1-CA 3.45Å; D91-K93 VanDerWaalsContact OD1-CB 3.3Å; D91-K93 WeakPolarHBondContact OD1-CB 3.34Å; D91-K93 PolarHBondContact OD1-N 3.08Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 3.13Å; K93-L96 PolarHBondContact O-N 3.22Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 PolarHBondContact O-N 3.26Å
94S97.9Very high97.4Very high46 Ų4672 Ų7232%0.32234%0.341SS..Hα-helixtrans-62.3-39.8177.9-60.60000111.8D91 E97 K98D91-S94 PolarHBondContact O-N 2.66Å; D91-S94 PolarHBondContact OD1-N 3.3Å; D91-S94 PolarHBondContact OD1-OG 3.39Å; D91-S94 WeakPolarHBondContact OD2-CB 3.41Å; D91-S94 PolarHBondContact OD2-OG 3.06Å; S94-E97 PolarHBondContact O-N 3.1Å; S94-K98 WeakPolarHBondContact O-CB 3.33Å; S94-K98 PolarHBondContact O-N 3.17Å
95F98.2Very high97.3Very high0 Ų075.8 Ų75.80%036%0.362CS..Hα-helixtrans-62-49.1175-173.4-78000111.6I79 A87 L90 D91 K93 E97 K98 Y99 F101 K103I79-F95 HydrophobicContact CD1-CE2 4.16Å; I79-F95 HydrophobicContact CD1-CZ 3.81Å; A87-F95 HydrophobicContact CB-CE2 4.26Å; A87-F95 VanDerWaalsContact O-CD2 3.25Å; A87-F95 WeakPolarHBondContact O-CD2 3.21Å; L90-F95 HydrophobicContact CB-CB 4.16Å; D91-F95 VanDerWaalsContact O-CB 3.32Å; D91-F95 WeakPolarHBondContact O-CB 3.3Å; D91-F95 PolarHBondContact O-N 3.16Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 3.13Å; F95-E97 VanDerWaalsContact C-N 3.31Å; F95-E97 PolarHBondContact O-N 3.29Å; F95-K98 PolarHBondContact O-N 3.01Å; F95-Y99 HydrophobicContact CD1-CD2 4.29Å; F95-Y99 AromaticContact CD2-CD2 3.92Å; F95-Y99 HydrophobicContact CD2-CD2 3.92Å; F95-Y99 HydrophobicContact CD2-CE2 4.26Å; F95-Y99 HydrophobicContact CE1-CD2 4.24Å; F95-Y99 AromaticContact CE2-CD2 3.88Å; F95-Y99 HydrophobicContact CE2-CD2 3.88Å; F95-Y99 HydrophobicContact CE2-CE2 4.25Å; F95-Y99 HydrophobicContact CG-CD2 4.13Å; F95-Y99 HydrophobicContact CZ-CD2 4.04Å; F95-Y99 PolarHBondContact O-N 3.21Å; F95-F101 WeakPolarHBondContact CD1-O 3.38Å; F95-F101 HydrophobicContact CE1-CB 4.28Å; F95-F101 AromaticContact CE1-CD1 3.73Å; F95-F101 HydrophobicContact CE1-CD1 3.73Å; F95-F101 HydrophobicContact CE1-CG 4.44Å; F95-F101 WeakPolarHBondContact CE1-O 3.23Å; F95-F101 HydrophobicContact CZ-CD1 4.12Å; F95-K103 HydrophobicContact CB-CB 4.02Å; F95-K103 HydrophobicContact CB-CD 4.14Å; F95-K103 HydrophobicContact CB-CG 4.26Å; F95-K103 VanDerWaalsContact CD1-CA 3.47Å; F95-K103 HydrophobicContact CD1-CB 3.53Å; F95-K103 HydrophobicContact CD1-CG 4.06Å; F95-K103 HydrophobicContact CD2-CB 4.21Å; F95-K103 HydrophobicContact CD2-CD 4.13Å; F95-K103 HydrophobicContact CD2-CG 3.83Å; F95-K103 VanDerWaalsContact CE1-CA 3.48Å; F95-K103 HydrophobicContact CE1-CB 4.01Å; F95-K103 HydrophobicContact CE1-CG 4.39Å; F95-K103 HydrophobicContact CE2-CG 4.17Å; F95-K103 HydrophobicContact CG-CB 3.65Å; F95-K103 HydrophobicContact CG-CD 4.13Å; F95-K103 HydrophobicContact CG-CG 3.78Å; F95-K103 HydrophobicContact CZ-CG 4.44Å
96L97.8Very high97.1Very high92 Ų9275 Ų7548%0.48236%0.363SS..Hα-helixtrans-62.3-39.8178.9179.463.4000111.5E92 K93 K100E92-L96 VanDerWaalsContact O-CB 3.23Å; E92-L96 WeakPolarHBondContact O-CB 3.41Å; E92-L96 PolarHBondContact O-N 2.96Å; K93-L96 PolarHBondContact O-N 3.22Å; L96-K100 WeakPolarHBondContact O-CA 3.36Å; L96-K100 PolarHBondContact O-N 2.93Å
97E97.8Very high96.8Very high125 Ų12572.4 Ų72.458%0.58436%0.357SS*.Hα-helixtrans-64.9-44.3177.9-174.3173.2175.100111.9K93 S94 F95 K100K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 PolarHBondContact O-N 3.26Å; S94-E97 PolarHBondContact O-N 3.1Å; F95-E97 VanDerWaalsContact C-N 3.31Å; F95-E97 PolarHBondContact O-N 3.29Å; E97-K100 WeakPolarHBondContact O-CD 3.28Å; E97-K100 WeakPolarHBondContact O-CE 3.16Å; E97-K100 PolarHBondContact O-NZ 3.44Å
98K97.7Very high96.6Very high118 Ų11874.4 Ų74.451%0.51337%0.367SS..Hα-helixtrans-73.5-51.2-177.8-172.7175.3177.2-164.90112.6E83 L90 S94 F95E83-K98 WeakPolarHBondContact OE2-CE 3.11Å; E83-K98 IonicContact OE2-NZ 3Å; E83-K98 PolarHBondContact OE2-NZ 3.37Å; L90-K98 HydrophobicContact CD1-CD 4.39Å; S94-K98 WeakPolarHBondContact O-CB 3.33Å; S94-K98 PolarHBondContact O-N 3.17Å; F95-K98 PolarHBondContact O-N 3.01Å
99Y97Very high96.3Very high25 Ų2580.7 Ų80.710%0.09840%0.395CS..Hα-helixtrans-98-3.8-170.9-61.2-68.5000114I79 E83 A87 L90 F95 F101I79-Y99 HydrophobicContact CB-CE1 4.33Å; I79-Y99 HydrophobicContact CD1-CD1 4.2Å; I79-Y99 HydrophobicContact CD1-CD2 4.34Å; I79-Y99 HydrophobicContact CD1-CE1 4.42Å; I79-Y99 HydrophobicContact CD1-CG 4.17Å; I79-Y99 HydrophobicContact CG1-CD1 3.72Å; I79-Y99 HydrophobicContact CG1-CE1 3.85Å; I79-Y99 HydrophobicContact CG1-CG 4.19Å; I79-Y99 HydrophobicContact CG2-CE1 4.07Å; E83-Y99 PolarHBondContact OE2-OH 2.99Å; A87-Y99 HydrophobicContact CB-CE2 3.48Å; A87-Y99 VanDerWaalsContact CB-CE2 3.48Å; A87-Y99 WeakPolarHBondContact CB-OH 3.43Å; L90-Y99 HydrophobicContact CD1-CE2 4.18Å; F95-Y99 HydrophobicContact CD1-CD2 4.29Å; F95-Y99 AromaticContact CD2-CD2 3.92Å; F95-Y99 HydrophobicContact CD2-CD2 3.92Å; F95-Y99 HydrophobicContact CD2-CE2 4.26Å; F95-Y99 HydrophobicContact CE1-CD2 4.24Å; F95-Y99 AromaticContact CE2-CD2 3.88Å; F95-Y99 HydrophobicContact CE2-CD2 3.88Å; F95-Y99 HydrophobicContact CE2-CE2 4.25Å; F95-Y99 HydrophobicContact CG-CD2 4.13Å; F95-Y99 HydrophobicContact CZ-CD2 4.04Å; F95-Y99 PolarHBondContact O-N 3.21Å; Y99-F101 PolarHBondContact O-N 3.27Å; Y99-F101 VanDerWaalsContact O-N 3.1Å
100K96Very high96.1Very high163 Ų16376.7 Ų76.771%0.70938%0.379SS*.SBendtrans5134.1-175.8-52.3-53.6-175.6-162.80112.3L96 E97L96-K100 WeakPolarHBondContact O-CA 3.36Å; L96-K100 PolarHBondContact O-N 2.93Å; E97-K100 WeakPolarHBondContact O-CD 3.28Å; E97-K100 WeakPolarHBondContact O-CE 3.16Å; E97-K100 PolarHBondContact O-NZ 3.44Å
101F94.1Very high96Very high28 Ų2874.3 Ų74.312%0.12337%0.366CS..SBendtrans-139.9136.7-171.9-178.8-122.2000109.1K57 I59 V77 F95 Y99 K103 P104K57-F101 HydrophobicContact CB-CE1 4.32Å; K57-F101 HydrophobicContact CB-CZ 3.7Å; K57-F101 HydrophobicContact CD-CE1 4.17Å; K57-F101 HydrophobicContact CD-CE2 3.86Å; K57-F101 HydrophobicContact CD-CZ 3.36Å; K57-F101 HydrophobicContact CG-CZ 4.09Å; I59-F101 HydrophobicContact CD1-CE1 4.44Å; I59-F101 HydrophobicContact CG1-CE1 4.28Å; V77-F101 HydrophobicContact CB-CB 4.44Å; V77-F101 HydrophobicContact CB-CD1 4.43Å; V77-F101 HydrophobicContact CB-CG 4.24Å; V77-F101 HydrophobicContact CG1-CB 4.01Å; V77-F101 HydrophobicContact CG1-CD1 4.45Å; V77-F101 HydrophobicContact CG1-CG 4.27Å; V77-F101 HydrophobicContact CG2-CB 3.9Å; V77-F101 HydrophobicContact CG2-CD1 4.33Å; V77-F101 HydrophobicContact CG2-CD2 3.59Å; V77-F101 HydrophobicContact CG2-CE2 4.12Å; V77-F101 HydrophobicContact CG2-CG 3.7Å; F95-F101 WeakPolarHBondContact CD1-O 3.38Å; F95-F101 HydrophobicContact CE1-CB 4.28Å; F95-F101 AromaticContact CE1-CD1 3.73Å; F95-F101 HydrophobicContact CE1-CD1 3.73Å; F95-F101 HydrophobicContact CE1-CG 4.44Å; F95-F101 WeakPolarHBondContact CE1-O 3.23Å; F95-F101 HydrophobicContact CZ-CD1 4.12Å; Y99-F101 PolarHBondContact O-N 3.27Å; Y99-F101 VanDerWaalsContact O-N 3.1Å; F101-K103 PolarHBondContact O-N 3.17Å; F101-P104 HydrophobicContact CE1-CG 4.24Å
102Q95.1Very high96.1Very high124 Ų12470.1 Ų70.158%0.57934%0.344SS*.PPolyproline II helixtrans-67.7123175.9-178.7-174.935.700109.2
103K96.9Very high96.1Very high36 Ų3663.7 Ų63.716%0.15731%0.314CS..PPolyproline II helixtrans-52.3129.5176.4-168.7178.2174-177.30110.2F88 L90 F95 F101 Y133F88-K103 VanDerWaalsContact O-CE 3.31Å; F88-K103 WeakPolarHBondContact O-CE 3.47Å; F88-K103 PolarHBondContact O-NZ 3.03Å; L90-K103 PolarHBondContact O-NZ 3.35Å; F95-K103 HydrophobicContact CB-CB 4.02Å; F95-K103 HydrophobicContact CB-CD 4.14Å; F95-K103 HydrophobicContact CB-CG 4.26Å; F95-K103 VanDerWaalsContact CD1-CA 3.47Å; F95-K103 HydrophobicContact CD1-CB 3.53Å; F95-K103 HydrophobicContact CD1-CG 4.06Å; F95-K103 HydrophobicContact CD2-CB 4.21Å; F95-K103 HydrophobicContact CD2-CD 4.13Å; F95-K103 HydrophobicContact CD2-CG 3.83Å; F95-K103 VanDerWaalsContact CE1-CA 3.48Å; F95-K103 HydrophobicContact CE1-CB 4.01Å; F95-K103 HydrophobicContact CE1-CG 4.39Å; F95-K103 HydrophobicContact CE2-CG 4.17Å; F95-K103 HydrophobicContact CG-CB 3.65Å; F95-K103 HydrophobicContact CG-CD 4.13Å; F95-K103 HydrophobicContact CG-CG 3.78Å; F95-K103 HydrophobicContact CZ-CG 4.44Å; F101-K103 PolarHBondContact O-N 3.17Å; K103-Y133 WeakPolarHBondContact CE-OH 3.25Å
104P96.9Very high96.2Very high3 Ų356.4 Ų56.42%0.01928%0.282CS..PPolyproline II helixtrans-61.8147.3172.1-20.532.4000111.4K57 I59 F88 F101 D108 V111 Y133K57-P104 HydrophobicContact CB-CG 4.22Å; K57-P104 HydrophobicContact CG-CB 4.46Å; K57-P104 HydrophobicContact CG-CG 4.33Å; I59-P104 HydrophobicContact CD1-CG 4.38Å; F88-P104 HydrophobicContact CE1-CG 4.23Å; F88-P104 HydrophobicContact CZ-CG 4.35Å; F101-P104 HydrophobicContact CE1-CG 4.24Å; P104-D108 WeakPolarHBondContact CA-OD2 3.41Å; P104-V111 HydrophobicContact CB-CG1 4.33Å; P104-V111 HydrophobicContact CB-CG2 3.65Å; P104-V111 HydrophobicContact CG-CG1 4.2Å; P104-V111 HydrophobicContact CG-CG2 4.31Å; P104-Y133 HydrophobicContact CB-CE1 4.08Å; P104-Y133 WeakPolarHBondContact O-CE1 3.38Å; P104-Y133 PolarHBondContact O-OH 2.84Å
105N96Very high96.2Very high80 Ų8054.2 Ų54.243%0.42827%0.267SS..PPolyproline II helixtrans-83.8156.1170.1-61.1-63.5000110.8A107 D108N105-A107 PolarHBondContact O-N 3.29Å; N105-A107 VanDerWaalsContact O-N 3.17Å; N105-D108 PolarHBondContact N-OD2 3.38Å; N105-D108 PolarHBondContact ND2-OD1 3.3Å; N105-D108 WeakPolarHBondContact O-CB 3.26Å; N105-D108 PolarHBondContact O-N 3.29Å
106V94.2Very high96.2Very high75 Ų7561.1 Ų61.146%0.45529%0.293SS..THydrogen-bonded Turntrans-57.6-31.4178.2-65.50000113.4Y133 E134V106-Y133 HydrophobicContact CG1-CD2 4.44Å; V106-Y133 HydrophobicContact CG1-CE2 4.29Å; V106-E134 PolarHBondContact O-N 3.34Å
107A93.1Very high96.2Very high54 Ų5459.7 Ų59.745%0.44629%0.291SS..THydrogen-bonded Turntrans-93.1-1.3-179.600000114N105 K109N105-A107 PolarHBondContact O-N 3.29Å; N105-A107 VanDerWaalsContact O-N 3.17Å; A107-K109 PolarHBondContact O-N 3.26Å
108D93.8Very high96.1Very high43 Ų4354 Ų5423%0.2327%0.266CS..  trans-63.7131.9-178.7-78.2-10.1000110.6P104 N105 V111P104-D108 WeakPolarHBondContact CA-OD2 3.41Å; N105-D108 PolarHBondContact N-OD2 3.38Å; N105-D108 PolarHBondContact ND2-OD1 3.3Å; N105-D108 WeakPolarHBondContact O-CB 3.26Å; N105-D108 PolarHBondContact O-N 3.29Å; D108-V111 HydrophobicContact CB-CG2 3.69Å
109K91.8Very high96.1Very high136 Ų13652.6 Ų52.659%0.59127%0.267SS*.SBendtrans-94.2-7.7-176.4-62.4-177.2-177.8176.80114.4A107 N135A107-K109 PolarHBondContact O-N 3.26Å; K109-N135 HydrophobicContact CB-CB 4.44Å; K109-N135 HydrophobicContact CG-CB 4.3Å
110N92.7Very high96.2Very high33 Ų3354 Ų5418%0.17627%0.273CS..  trans-11834.5-171.1-67.5-32.6000111.9M50 D55 K57M50-N110 HydrophobicContact CE-CB 3.97Å; M50-N110 WeakPolarHBondContact CE-OD1 3.43Å; D55-N110 PolarHBondContact OD1-ND2 2.85Å; D55-N110 PolarHBondContact OD2-ND2 2.81Å; K57-N110 PolarHBondContact N-O 3.3Å
111V97.1Very high96.3Very high2 Ų246.3 Ų46.31%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-93111.3175.2-170.20000109.6K57 I59 P104 D108 F113 P136 L137K57-V111 HydrophobicContact CB-CG1 4.49Å; K57-V111 HydrophobicContact CB-CG2 4.28Å; K57-V111 WeakPolarHBondContact O-CA 3.46Å; I59-V111 HydrophobicContact CD1-CG1 4.28Å; P104-V111 HydrophobicContact CB-CG1 4.33Å; P104-V111 HydrophobicContact CB-CG2 3.65Å; P104-V111 HydrophobicContact CG-CG1 4.2Å; P104-V111 HydrophobicContact CG-CG2 4.31Å; D108-V111 HydrophobicContact CB-CG2 3.69Å; V111-F113 HydrophobicContact CG1-CE2 3.82Å; V111-F113 HydrophobicContact CG1-CZ 4.15Å; V111-P136 CarbonylContact O-C 3.45Å; V111-L137 PolarHBondContact O-N 2.83Å
112V98.1Very high96.5Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-116127.6-176-178.80000109.9I42 L47 M50 L56 K57 L58 I59 L137 L139I42-V112 HydrophobicContact CD1-CB 4.42Å; I42-V112 HydrophobicContact CD1-CG1 3.76Å; I42-V112 HydrophobicContact CD1-CG2 3.7Å; I42-V112 HydrophobicContact CG1-CG1 4.47Å; L47-V112 HydrophobicContact CD1-CG1 4.28Å; L47-V112 HydrophobicContact CD1-CG2 4.41Å; M50-V112 HydrophobicContact CE-CG2 3.65Å; M50-V112 HydrophobicContact SD-CG2 4.26Å; L56-V112 HydrophobicContact CD1-CB 4.29Å; L56-V112 HydrophobicContact CD1-CG2 3.65Å; K57-V112 PolarHBondContact O-N 3.05Å; L58-V112 WeakPolarHBondContact CA-O 3.27Å; L58-V112 HydrophobicContact CD1-CB 3.81Å; L58-V112 HydrophobicContact CD1-CG1 3.66Å; I59-V112 PolarHBondContact N-O 3.19Å; V112-L137 CarbonylContact C-O 3.56Å; V112-L137 WeakPolarHBondContact CA-O 3.49Å; V112-L137 HydrophobicContact CG2-CB 4.17Å; V112-L137 HydrophobicContact CG2-CD1 4.19Å; V112-L139 HydrophobicContact CG1-CB 4.27Å
113F98.6Very high96.7Very high0 Ų048.3 Ų48.30%024%0.243CC..EExtended strand (participates in β ladder)trans-100.3136.5170.5-64.7-89.2000110.5I59 V61 F88 V111 S121 A124 L125 V128 P136 L137 L139I59-F113 HydrophobicContact CB-CD1 4Å; I59-F113 HydrophobicContact CB-CE1 4.14Å; I59-F113 HydrophobicContact CD1-CE1 3.88Å; I59-F113 HydrophobicContact CD1-CZ 4.12Å; I59-F113 HydrophobicContact CG2-CD1 4.05Å; I59-F113 HydrophobicContact CG2-CE1 4.07Å; I59-F113 CarbonylContact O-C 3.48Å; I59-F113 WeakPolarHBondContact O-CA 3.44Å; V61-F113 HydrophobicContact CG1-CD1 3.8Å; F88-F113 HydrophobicContact CE1-CZ 4.26Å; F88-F113 HydrophobicContact CE2-CE1 4.1Å; F88-F113 HydrophobicContact CE2-CZ 4.12Å; F88-F113 AromaticContact CZ-CE1 3.99Å; F88-F113 HydrophobicContact CZ-CE1 3.99Å; F88-F113 AromaticContact CZ-CZ 3.61Å; F88-F113 HydrophobicContact CZ-CZ 3.61Å; V111-F113 HydrophobicContact CG1-CE2 3.82Å; V111-F113 HydrophobicContact CG1-CZ 4.15Å; F113-S121 WeakPolarHBondContact O-CB 3.42Å; F113-A124 HydrophobicContact CD1-CB 3.8Å; F113-A124 HydrophobicContact CE1-CB 4.17Å; F113-A124 HydrophobicContact CG-CB 4.29Å; F113-L125 HydrophobicContact CD2-CB 4.41Å; F113-V128 HydrophobicContact CE2-CG2 3.66Å; F113-V128 HydrophobicContact CZ-CB 4.42Å; F113-V128 HydrophobicContact CZ-CG1 3.88Å; F113-V128 HydrophobicContact CZ-CG2 3.74Å; F113-P136 HydrophobicContact CD2-CB 4.25Å; F113-P136 HydrophobicContact CE2-CB 3.83Å; F113-L137 PolarHBondContact N-O 3.29Å; F113-L139 PolarHBondContact O-N 2.9Å
114S98.5Very high96.7Very high1 Ų146.6 Ų46.61%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-128.4152.9172.4-1790000110I59 D60 V61I59-S114 PolarHBondContact O-N 2.9Å; D60-S114 WeakPolarHBondContact CA-O 3.27Å; V61-S114 WeakPolarHBondContact CG2-O 3.49Å; V61-S114 PolarHBondContact N-O 2.8Å
115C98.3Very high96.8Very high0 Ų046.6 Ų46.60%024%0.235CC..  trans-140.6-150.3164.374.20000109.2V61 R62 G118 R120 G142 Y143V61-C115 HydrophobicContact CG2-CB 3.7Å; R62-C115 HydrophobicContact CG-CB 4.13Å; C115-G118 PolarHBondContact SG-N 3.47Å; C115-R120 HydrophobicContact CB-CB 3.75Å; C115-R120 PolarHBondContact SG-N 3.48Å; C115-R120 VanDerWaalsContact SG-N 3.36Å; C115-G142 CarbonylContact O-C 3.59Å; C115-G142 WeakPolarHBondContact O-CA 3.43Å; C115-Y143 WeakPolarHBondContact O-CB 3.18Å; C115-Y143 PolarHBondContact O-N 3.18Å
116R98.2Very high96.9Very high145 Ų14548.1 Ų48.155%0.54724%0.238SC..SBendtrans-66.7-47.6175.2-171.5174.8177.4-170-0.8113.7Y143 N144R116-Y143 PolarHBondContact O-N 3.22Å; R116-N144 VanDerWaalsContact O-CG 3.25Å; R116-N144 PolarHBondContact O-N 3.39Å
117S97.5Very high97.1Very high62 Ų6246.6 Ų46.643%0.43423%0.227SC..SBendtrans-130-2.8-170.5610000115.3G141S117-G141 WeakPolarHBondContact CA-O 3.49Å; S117-G141 CarbonylContact O-C 3.6Å; S117-G141 VanDerWaalsContact O-CA 3.29Å; S117-G141 WeakPolarHBondContact O-CA 3.38Å; S117-G141 PolarHBondContact O-N 3.02Å
118G97.2Very high97.3Very high7 Ų744.1 Ų44.17%0.07221%0.206CC..SBendtrans102.9-17.1-176.500000115.1C115 S121 M122 N138C115-G118 PolarHBondContact SG-N 3.47Å; G118-S121 VanDerWaalsContact C-OG 3.3Å; G118-S121 VanDerWaalsContact CA-OG 3.31Å; G118-S121 WeakPolarHBondContact CA-OG 3.33Å; G118-S121 PolarHBondContact O-OG 3.33Å; G118-M122 WeakPolarHBondContact O-CB 3.24Å; G118-M122 PolarHBondContact O-N 3.47Å; G118-M122 VanDerWaalsContact O-N 3.1Å; G118-N138 PolarHBondContact O-OD1 2.75Å; G118-N138 VanDerWaalsContact O-OD1 3.14Å
119V97.7Very high97.4Very high88 Ų8845.7 Ų45.753%0.53321%0.212SC..Hα-helixtrans-71.6-46.9-173.9178.60000112.8M122 R123V119-M122 PolarHBondContact O-N 3.44Å; V119-R123 PolarHBondContact O-N 3.2Å
120R98.5Very high97.7Very high55 Ų5546 Ų4621%0.20822%0.22CC..Hα-helixtrans-69-38.5178.5-69.8178.6-80171.7-7.1112.5V61 E66 L81 C115 M122 R123 A124V61-R120 HydrophobicContact CG2-CB 3.92Å; E66-R120 VanDerWaalsContact CD-NH2 3.31Å; E66-R120 IonicContact OE1-CZ 3.28Å; E66-R120 IonicContact OE1-NH1 2.66Å; E66-R120 IonicContact OE1-NH2 2.74Å; E66-R120 PolarHBondContact OE1-NH2 3.17Å; E66-R120 IonicContact OE2-CZ 2.66Å; E66-R120 VanDerWaalsContact OE2-CZ 3.28Å; E66-R120 IonicContact OE2-NH1 2.76Å; E66-R120 PolarHBondContact OE2-NH1 3.29Å; E66-R120 IonicContact OE2-NH2 3.31Å; E66-R120 PolarHBondContact OE2-NH2 3.43Å; L81-R120 HydrophobicContact CD2-CB 3.97Å; L81-R120 HydrophobicContact CD2-CG 3.94Å; C115-R120 HydrophobicContact CB-CB 3.75Å; C115-R120 PolarHBondContact SG-N 3.48Å; C115-R120 VanDerWaalsContact SG-N 3.36Å; R120-M122 VanDerWaalsContact C-N 3.31Å; R120-M122 PolarHBondContact O-N 2.92Å; R120-R123 WeakPolarHBondContact O-CB 3.31Å; R120-R123 PolarHBondContact O-N 3.34Å; R120-A124 PolarHBondContact O-N 3.01Å
121S98.4Very high97.9Very high0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-64.7-35.7175.941.20000111.9F113 G118 R123 A124 L125 N138F113-S121 WeakPolarHBondContact O-CB 3.42Å; G118-S121 VanDerWaalsContact C-OG 3.3Å; G118-S121 VanDerWaalsContact CA-OG 3.31Å; G118-S121 WeakPolarHBondContact CA-OG 3.33Å; G118-S121 PolarHBondContact O-OG 3.33Å; S121-R123 VanDerWaalsContact C-N 3.28Å; S121-R123 PolarHBondContact O-N 3.01Å; S121-A124 PolarHBondContact O-N 3.37Å; S121-L125 VanDerWaalsContact O-CB 3.28Å; S121-L125 WeakPolarHBondContact O-CB 3.4Å; S121-L125 PolarHBondContact O-N 3.46Å; S121-N138 VanDerWaalsContact CB-OD1 3.23Å; S121-N138 WeakPolarHBondContact CB-OD1 3.45Å; S121-N138 PolarHBondContact OG-OD1 3.18Å
122M98Very high97.8Very high43 Ų4349 Ų4921%0.21225%0.246CC..Hα-helixtrans-62.9-32.1171.2-173.56172.900113V40 D41 G118 V119 R120 L125 K126 N138V40-M122 HydrophobicContact CG2-CE 4.17Å; V40-M122 HydrophobicContact CG2-SD 4.36Å; D41-M122 WeakPolarHBondContact OD1-CE 3.16Å; G118-M122 WeakPolarHBondContact O-CB 3.24Å; G118-M122 PolarHBondContact O-N 3.47Å; G118-M122 VanDerWaalsContact O-N 3.1Å; V119-M122 PolarHBondContact O-N 3.44Å; R120-M122 VanDerWaalsContact C-N 3.31Å; R120-M122 PolarHBondContact O-N 2.92Å; M122-L125 HydrophobicContact SD-CD2 4.4Å; M122-K126 WeakPolarHBondContact O-CG 3.4Å; M122-K126 PolarHBondContact O-N 3.48Å; M122-N138 HydrophobicContact CE-CB 3.88Å; M122-N138 WeakPolarHBondContact CE-ND2 3.29Å; M122-N138 PolarHBondContact N-OD1 2.73Å
123R98.3Very high97.7Very high152 Ų15249.7 Ų49.757%0.57425%0.248SC*.Hα-helixtrans-72.4-45.5173-65.3179.4-176.5176.5-0.7111.5L81 V119 R120 S121 L125 K126 I127L81-R123 HydrophobicContact CD1-CB 4.07Å; L81-R123 HydrophobicContact CD2-CB 4.36Å; V119-R123 PolarHBondContact O-N 3.2Å; R120-R123 WeakPolarHBondContact O-CB 3.31Å; R120-R123 PolarHBondContact O-N 3.34Å; S121-R123 VanDerWaalsContact C-N 3.28Å; S121-R123 PolarHBondContact O-N 3.01Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 2.9Å; R123-K126 PolarHBondContact O-N 3.36Å; R123-K126 VanDerWaalsContact O-N 3.16Å; R123-I127 WeakPolarHBondContact O-CG1 3.25Å; R123-I127 PolarHBondContact O-N 3.5Å
124A98.6Very high97.4Very high0 Ų055.9 Ų55.90%028%0.277CS..Hα-helixtrans-57.5-42.1174.900000111.9V61 L81 V84 F113 R120 S121 K126 I127 V128V61-A124 HydrophobicContact CB-CB 4.45Å; V61-A124 HydrophobicContact CG1-CB 3.77Å; V61-A124 HydrophobicContact CG2-CB 4.35Å; L81-A124 HydrophobicContact CD1-CB 3.84Å; V84-A124 HydrophobicContact CG1-CB 4.12Å; V84-A124 HydrophobicContact CG2-CB 4.02Å; F113-A124 HydrophobicContact CD1-CB 3.8Å; F113-A124 HydrophobicContact CE1-CB 4.17Å; F113-A124 HydrophobicContact CG-CB 4.29Å; R120-A124 PolarHBondContact O-N 3.01Å; S121-A124 PolarHBondContact O-N 3.37Å; A124-K126 PolarHBondContact O-N 2.91Å; A124-I127 WeakPolarHBondContact O-CB 3.39Å; A124-I127 PolarHBondContact O-N 3.26Å; A124-V128 PolarHBondContact O-N 2.97Å
125L97.9Very high97.2Very high2 Ų257.2 Ų57.21%0.0128%0.284CS..Hα-helixtrans-55.9-48.4174.6-179.1147.8000111.7V40 F113 S121 M122 R123 V128 Q129 P136 N138V40-L125 HydrophobicContact CB-CD1 3.92Å; V40-L125 HydrophobicContact CG2-CD1 4.28Å; F113-L125 HydrophobicContact CD2-CB 4.41Å; S121-L125 VanDerWaalsContact O-CB 3.28Å; S121-L125 WeakPolarHBondContact O-CB 3.4Å; S121-L125 PolarHBondContact O-N 3.46Å; M122-L125 HydrophobicContact SD-CD2 4.4Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 2.9Å; L125-V128 WeakPolarHBondContact O-CG2 3.23Å; L125-V128 PolarHBondContact O-N 3.5Å; L125-Q129 VanDerWaalsContact CD2-CD 3.44Å; L125-Q129 HydrophobicContact CD2-CG 4.12Å; L125-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L125-Q129 WeakPolarHBondContact O-CG 3.34Å; L125-Q129 PolarHBondContact O-N 2.81Å; L125-P136 HydrophobicContact CD1-CB 4.12Å; L125-P136 HydrophobicContact CD1-CG 4.3Å; L125-P136 WeakPolarHBondContact CD1-O 3.32Å; L125-P136 HydrophobicContact CD2-CG 4.31Å; L125-P136 HydrophobicContact CG-CB 3.87Å; L125-P136 HydrophobicContact CG-CG 3.77Å; L125-N138 HydrophobicContact CD1-CB 3.93Å
126K97.5Very high97.1Very high112 Ų11257.4 Ų57.449%0.48729%0.286SS..Hα-helixtrans-62.8-43.7178.5-72.5164.2-179.5172.40111.9M122 R123 A124 V128 Q129 D130M122-K126 WeakPolarHBondContact O-CG 3.4Å; M122-K126 PolarHBondContact O-N 3.48Å; R123-K126 PolarHBondContact O-N 3.36Å; R123-K126 VanDerWaalsContact O-N 3.16Å; A124-K126 PolarHBondContact O-N 2.91Å; K126-V128 VanDerWaalsContact C-N 3.3Å; K126-V128 PolarHBondContact O-N 3.33Å; K126-Q129 WeakPolarHBondContact O-CB 3.2Å; K126-Q129 PolarHBondContact O-N 3.28Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; K126-D130 PolarHBondContact O-N 2.9Å
127I98.3Very high97.1Very high44 Ų4451.2 Ų51.223%0.22626%0.263CS..Hα-helixtrans-54.1-48175.7-69.2163.3000110.6L81 V84 E85 R123 A124 D130 L131L81-I127 HydrophobicContact CD1-CD1 4.15Å; V84-I127 HydrophobicContact CG1-CB 4.45Å; V84-I127 HydrophobicContact CG1-CG2 4.12Å; E85-I127 HydrophobicContact CB-CG2 3.7Å; E85-I127 HydrophobicContact CG-CG2 4.06Å; R123-I127 WeakPolarHBondContact O-CG1 3.25Å; R123-I127 PolarHBondContact O-N 3.5Å; A124-I127 WeakPolarHBondContact O-CB 3.39Å; A124-I127 PolarHBondContact O-N 3.26Å; I127-D130 PolarHBondContact O-N 2.85Å; I127-L131 WeakPolarHBondContact O-CG 3.31Å; I127-L131 PolarHBondContact O-N 3.36Å
128V98Very high97.2Very high1 Ų148.5 Ų48.51%0.00624%0.244CC..Hα-helixtrans-75.8-28.3-178.7-570000113V84 F88 F113 A124 L125 K126 D130 L131 G132 Y133 P136V84-V128 HydrophobicContact CG1-CG1 3.79Å; F88-V128 HydrophobicContact CB-CG1 4.17Å; F88-V128 HydrophobicContact CD1-CB 4.13Å; F88-V128 HydrophobicContact CD1-CG1 3.48Å; F88-V128 VanDerWaalsContact CD1-CG1 3.48Å; F88-V128 HydrophobicContact CD2-CG1 3.81Å; F88-V128 HydrophobicContact CE1-CB 4.33Å; F88-V128 HydrophobicContact CE1-CG1 3.73Å; F88-V128 HydrophobicContact CE2-CG1 4Å; F88-V128 HydrophobicContact CG-CG1 3.54Å; F88-V128 HydrophobicContact CZ-CG1 3.97Å; F113-V128 HydrophobicContact CE2-CG2 3.66Å; F113-V128 HydrophobicContact CZ-CB 4.42Å; F113-V128 HydrophobicContact CZ-CG1 3.88Å; F113-V128 HydrophobicContact CZ-CG2 3.74Å; A124-V128 PolarHBondContact O-N 2.97Å; L125-V128 WeakPolarHBondContact O-CG2 3.23Å; L125-V128 PolarHBondContact O-N 3.5Å; K126-V128 VanDerWaalsContact C-N 3.3Å; K126-V128 PolarHBondContact O-N 3.33Å; V128-D130 VanDerWaalsContact C-N 3.31Å; V128-L131 CarbonylContact O-C 3.52Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.17Å; V128-G132 PolarHBondContact O-N 3.38Å; V128-Y133 HydrophobicContact CB-CD2 3.97Å; V128-Y133 HydrophobicContact CB-CG 4.14Å; V128-Y133 WeakPolarHBondContact O-CB 3.42Å; V128-Y133 VanDerWaalsContact O-CD2 3.28Å; V128-Y133 WeakPolarHBondContact O-CD2 3.18Å; V128-Y133 PolarHBondContact O-N 3.37Å; V128-P136 HydrophobicContact CG2-CB 3.83Å; V128-P136 HydrophobicContact CG2-CG 4.01Å
129Q96.7Very high97.2Very high76 Ų7648.2 Ų48.236%0.35524%0.241SC..Hα-helixtrans-61.4-41.8169.6-74.4-177.8-39.400111.4L125 K126 L131 G132 P136L125-Q129 VanDerWaalsContact CD2-CD 3.44Å; L125-Q129 HydrophobicContact CD2-CG 4.12Å; L125-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L125-Q129 WeakPolarHBondContact O-CG 3.34Å; L125-Q129 PolarHBondContact O-N 2.81Å; K126-Q129 WeakPolarHBondContact O-CB 3.2Å; K126-Q129 PolarHBondContact O-N 3.28Å; K126-Q129 VanDerWaalsContact O-N 3.16Å; Q129-L131 PolarHBondContact O-N 3.45Å; Q129-G132 PolarHBondContact O-N 2.86Å; Q129-P136 HydrophobicContact CG-CG 3.44Å; Q129-P136 VanDerWaalsContact CG-CG 3.44Å
130D96.9Very high97.2Very high143 Ų14347.4 Ų47.477%0.76524%0.236SC*.Hα-helixtrans-65.3-24176.3-65.8-22.8000112.1K126 I127 V128 G132K126-D130 PolarHBondContact O-N 2.9Å; I127-D130 PolarHBondContact O-N 2.85Å; V128-D130 VanDerWaalsContact C-N 3.31Å; D130-G132 VanDerWaalsContact C-N 3.32Å
131L97.1Very high97.2Very high57 Ų5745.9 Ų45.930%0.29824%0.237SC..THydrogen-bonded Turntrans-85.42.3171.4-61.6174.6000113.8F88 K89 I127 V128 Q129 Y133F88-L131 HydrophobicContact CB-CD1 3.64Å; K89-L131 HydrophobicContact CG-CD1 4.37Å; K89-L131 HydrophobicContact CG-CD2 4.12Å; I127-L131 WeakPolarHBondContact O-CG 3.31Å; I127-L131 PolarHBondContact O-N 3.36Å; V128-L131 CarbonylContact O-C 3.52Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.17Å; Q129-L131 PolarHBondContact O-N 3.45Å; L131-Y133 HydrophobicContact CB-CD2 4.25Å; L131-Y133 HydrophobicContact CB-CE2 4.38Å
132G96.2Very high97.1Very high41 Ų4145.9 Ų45.942%0.42324%0.237SC..THydrogen-bonded Turntrans95.38.2175.200000115.9V128 Q129 D130 E134V128-G132 PolarHBondContact O-N 3.38Å; Q129-G132 PolarHBondContact O-N 2.86Å; D130-G132 VanDerWaalsContact C-N 3.32Å; G132-E134 PolarHBondContact O-N 3.24Å
133Y96Very high97.1Very high14 Ų1445.5 Ų45.56%0.05523%0.234CC..  trans-72.8120.3173.8-71.2-104.2000110.1F88 K103 P104 V106 V128 L131 P136F88-Y133 HydrophobicContact CB-CE2 4.41Å; F88-Y133 HydrophobicContact CD1-CD1 4.41Å; F88-Y133 HydrophobicContact CD1-CD2 4.13Å; F88-Y133 AromaticContact CD1-CE1 3.84Å; F88-Y133 HydrophobicContact CD1-CE1 3.84Å; F88-Y133 AromaticContact CD1-CE2 3.54Å; F88-Y133 HydrophobicContact CD1-CE2 3.54Å; F88-Y133 AromaticContact CD1-CZ 3.36Å; F88-Y133 WeakPolarHBondContact CD1-OH 3.31Å; F88-Y133 HydrophobicContact CE1-CD1 4.26Å; F88-Y133 AromaticContact CE1-CE1 3.83Å; F88-Y133 HydrophobicContact CE1-CE1 3.83Å; F88-Y133 HydrophobicContact CE1-CE2 4.32Å; F88-Y133 AromaticContact CE1-CZ 3.86Å; F88-Y133 HydrophobicContact CG-CE2 4.47Å; K103-Y133 WeakPolarHBondContact CE-OH 3.25Å; P104-Y133 HydrophobicContact CB-CE1 4.08Å; P104-Y133 WeakPolarHBondContact O-CE1 3.38Å; P104-Y133 PolarHBondContact O-OH 2.84Å; V106-Y133 HydrophobicContact CG1-CD2 4.44Å; V106-Y133 HydrophobicContact CG1-CE2 4.29Å; V128-Y133 HydrophobicContact CB-CD2 3.97Å; V128-Y133 HydrophobicContact CB-CG 4.14Å; V128-Y133 WeakPolarHBondContact O-CB 3.42Å; V128-Y133 VanDerWaalsContact O-CD2 3.28Å; V128-Y133 WeakPolarHBondContact O-CD2 3.18Å; V128-Y133 PolarHBondContact O-N 3.37Å; L131-Y133 HydrophobicContact CB-CD2 4.25Å; L131-Y133 HydrophobicContact CB-CE2 4.38Å; Y133-P136 VanDerWaalsContact O-CD 3.31Å; Y133-P136 WeakPolarHBondContact O-CD 3.14Å
134E92.8Very high97.1Very high130 Ų13042.2 Ų42.261%0.60723%0.228SC*.SBendtrans-81.8-32.6-165.3-63.7-179.3171.100113.6V106 G132 P136V106-E134 PolarHBondContact O-N 3.34Å; G132-E134 PolarHBondContact O-N 3.24Å; E134-P136 VanDerWaalsContact C-CD 3.43Å
135N93.9Very high97Very high30 Ų3043.4 Ų43.416%0.1624%0.238CC..  trans-130.638.6-168.6-63.6-90.7000114.9K38 K109K38-N135 PolarHBondContact NZ-OD1 2.99Å; K109-N135 HydrophobicContact CB-CB 4.44Å; K109-N135 HydrophobicContact CG-CB 4.3Å
136P96.8Very high97Very high4 Ų444.5 Ų44.53%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-66.7148.8173.331.7-35.3000110.8V111 F113 L125 V128 Q129 Y133 E134V111-P136 CarbonylContact O-C 3.45Å; F113-P136 HydrophobicContact CD2-CB 4.25Å; F113-P136 HydrophobicContact CE2-CB 3.83Å; L125-P136 HydrophobicContact CD1-CB 4.12Å; L125-P136 HydrophobicContact CD1-CG 4.3Å; L125-P136 WeakPolarHBondContact CD1-O 3.32Å; L125-P136 HydrophobicContact CD2-CG 4.31Å; L125-P136 HydrophobicContact CG-CB 3.87Å; L125-P136 HydrophobicContact CG-CG 3.77Å; V128-P136 HydrophobicContact CG2-CB 3.83Å; V128-P136 HydrophobicContact CG2-CG 4.01Å; Q129-P136 HydrophobicContact CG-CG 3.44Å; Q129-P136 VanDerWaalsContact CG-CG 3.44Å; Y133-P136 VanDerWaalsContact O-CD 3.31Å; Y133-P136 WeakPolarHBondContact O-CD 3.14Å; E134-P136 VanDerWaalsContact C-CD 3.43Å
137L97.9Very high96.9Very high14 Ų1440.7 Ų40.77%0.07323%0.231CC..EExtended strand (participates in β ladder)trans-124.3146.3-177.5-60.6169.3000110.6V40 I42 M50 V111 V112 F113V40-L137 CarbonylContact O-C 3.54Å; V40-L137 WeakPolarHBondContact O-CA 3.31Å; I42-L137 HydrophobicContact CD1-CB 4.48Å; I42-L137 HydrophobicContact CG2-CB 4.33Å; I42-L137 HydrophobicContact CG2-CD1 4.09Å; I42-L137 HydrophobicContact CG2-CD2 4.15Å; I42-L137 HydrophobicContact CG2-CG 4.42Å; M50-L137 HydrophobicContact CE-CD1 3.67Å; M50-L137 HydrophobicContact SD-CD1 4.24Å; V111-L137 PolarHBondContact O-N 2.83Å; V112-L137 CarbonylContact C-O 3.56Å; V112-L137 WeakPolarHBondContact CA-O 3.49Å; V112-L137 HydrophobicContact CG2-CB 4.17Å; V112-L137 HydrophobicContact CG2-CD1 4.19Å; F113-L137 PolarHBondContact N-O 3.29Å
138N98.3Very high96.8Very high6 Ų647 Ų473%0.03226%0.257CS..EExtended strand (participates in β ladder)trans-108.4129.2176171.564.8000110.2V40 D41 I42 G118 S121 M122 L125 V140V40-N138 PolarHBondContact O-N 3.36Å; D41-N138 WeakPolarHBondContact OD1-CB 3.47Å; D41-N138 PolarHBondContact OD1-ND2 2.73Å; I42-N138 PolarHBondContact N-O 2.95Å; G118-N138 PolarHBondContact O-OD1 2.75Å; G118-N138 VanDerWaalsContact O-OD1 3.14Å; S121-N138 VanDerWaalsContact CB-OD1 3.23Å; S121-N138 WeakPolarHBondContact CB-OD1 3.45Å; S121-N138 PolarHBondContact OG-OD1 3.18Å; M122-N138 HydrophobicContact CE-CB 3.88Å; M122-N138 WeakPolarHBondContact CE-ND2 3.29Å; M122-N138 PolarHBondContact N-OD1 2.73Å; L125-N138 HydrophobicContact CD1-CB 3.93Å; N138-V140 PolarHBondContact O-N 2.93Å
139L98.3Very high96.7Very high0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-77.7107.3171.5-177.764.2000110.2I42 V44 L47 I73 V112 F113 G141 G142I42-L139 HydrophobicContact CG1-CD1 4.36Å; V44-L139 HydrophobicContact CG2-CD1 4.25Å; L47-L139 HydrophobicContact CB-CD1 4.14Å; L47-L139 HydrophobicContact CD2-CD1 3.87Å; L47-L139 HydrophobicContact CD2-CD2 3.74Å; L47-L139 HydrophobicContact CD2-CG 4.4Å; I73-L139 HydrophobicContact CD1-CD2 3.45Å; I73-L139 VanDerWaalsContact CD1-CD2 3.45Å; V112-L139 HydrophobicContact CG1-CB 4.27Å; F113-L139 PolarHBondContact O-N 2.9Å; L139-G141 PolarHBondContact O-N 3.12Å; L139-G142 PolarHBondContact O-N 2.67Å
140V97.4Very high96.4Very high71 Ų7151.5 Ų51.543%0.4328%0.28SS..THydrogen-bonded Turntrans-62.3130.1178.2178.60000110.2D41 I42 N138 G142D41-V140 HydrophobicContact CB-CG2 3.46Å; D41-V140 VanDerWaalsContact CB-CG2 3.46Å; I42-V140 PolarHBondContact O-N 2.81Å; N138-V140 PolarHBondContact O-N 2.93Å; V140-G142 PolarHBondContact O-N 3.35Å
141G97.5Very high95.6Very high24 Ų2448.9 Ų48.925%0.24728%0.279CS..THydrogen-bonded Turntrans74.5-5.6-175.900000114.6S117 L139 N144 A145S117-G141 WeakPolarHBondContact CA-O 3.49Å; S117-G141 CarbonylContact O-C 3.6Å; S117-G141 VanDerWaalsContact O-CA 3.29Å; S117-G141 WeakPolarHBondContact O-CA 3.38Å; S117-G141 PolarHBondContact O-N 3.02Å; L139-G141 PolarHBondContact O-N 3.12Å; G141-N144 PolarHBondContact O-N 3.17Å; G141-A145 PolarHBondContact O-N 2.8Å
142G97.7Very high93.6Very high0 Ų050 Ų500%030%0.304CS..Hα-helixtrans52.3-143.9175.500000114C115 L139 V140 N144 A145 W146C115-G142 CarbonylContact O-C 3.59Å; C115-G142 WeakPolarHBondContact O-CA 3.43Å; L139-G142 PolarHBondContact O-N 2.67Å; V140-G142 PolarHBondContact O-N 3.35Å; G142-N144 VanDerWaalsContact C-N 3.26Å; G142-N144 PolarHBondContact O-N 3.28Å; G142-A145 PolarHBondContact O-N 2.83Å; G142-W146 PolarHBondContact O-N 3.32Å; G142-W146 VanDerWaalsContact O-N 3.16Å
143Y98Very high91.1Very high35 Ų3555 Ų5514%0.13736%0.355CS..Hα-helixtrans-59.2-33.3177.6-173.2-105.8000113T70 I73 C115 R116 A145 W146 A147T70-Y143 VanDerWaalsContact O-CZ 3.3Å; T70-Y143 PolarHBondContact O-OH 3.39Å; I73-Y143 HydrophobicContact CG1-CD2 3.92Å; I73-Y143 HydrophobicContact CG1-CE2 4.47Å; C115-Y143 WeakPolarHBondContact O-CB 3.18Å; C115-Y143 PolarHBondContact O-N 3.18Å; R116-Y143 PolarHBondContact O-N 3.22Å; Y143-A145 PolarHBondContact O-N 2.76Å; Y143-W146 AromaticContact CE2-CD1 3.87Å; Y143-W146 WeakPolarHBondContact O-CB 3.45Å; Y143-W146 PolarHBondContact O-N 2.99Å; Y143-A147 HydrophobicContact CE1-CB 4.18Å; Y143-A147 VanDerWaalsContact O-CB 3.31Å; Y143-A147 WeakPolarHBondContact O-CB 3.45Å; Y143-A147 PolarHBondContact O-N 2.95Å
144N97.2Very high90.9Very high82 Ų8257 Ų5744%0.43937%0.37SS..Hα-helixtrans-62.5-43.7178-71.6-9000111.8R116 G141 G142 K148R116-N144 VanDerWaalsContact O-CG 3.25Å; R116-N144 PolarHBondContact O-N 3.39Å; G141-N144 PolarHBondContact O-N 3.17Å; G142-N144 VanDerWaalsContact C-N 3.26Å; G142-N144 PolarHBondContact O-N 3.28Å; N144-K148 WeakPolarHBondContact O-CB 3.49Å; N144-K148 PolarHBondContact O-N 3.25Å
145A97.4Very high90.8Very high26 Ų2653.2 Ų53.222%0.21536%0.357CS..Hα-helixtrans-65.8-43.3175.700000111V44 G141 G142 Y143 K148 E149V44-A145 HydrophobicContact CG2-CB 3.8Å; G141-A145 PolarHBondContact O-N 2.8Å; G142-A145 PolarHBondContact O-N 2.83Å; Y143-A145 PolarHBondContact O-N 2.76Å; A145-K148 PolarHBondContact O-N 2.66Å; A145-E149 PolarHBondContact O-N 2.88Å
146W97.5Very high90.6Very high24 Ų2454.4 Ų54.49%0.09137%0.368CS..Hα-helixtrans-56.9-51.1174.6174-92000112.1V44 L47 K48 M51 I73 P74 G142 Y143 K148 E149 N150V44-W146 HydrophobicContact CG1-CE3 3.77Å; V44-W146 HydrophobicContact CG1-CZ3 4.2Å; V44-W146 HydrophobicContact CG2-CB 4.5Å; L47-W146 HydrophobicContact CD2-CE3 4.1Å; L47-W146 HydrophobicContact CD2-CZ3 4.26Å; K48-W146 HydrophobicContact CG-CH2 4.48Å; K48-W146 HydrophobicContact CG-CZ3 4.03Å; M51-W146 HydrophobicContact CE-CH2 3.94Å; M51-W146 HydrophobicContact SD-CH2 3.69Å; M51-W146 HydrophobicContact SD-CZ3 3.76Å; I73-W146 HydrophobicContact CB-CD2 4.35Å; I73-W146 HydrophobicContact CD1-CB 3.95Å; I73-W146 HydrophobicContact CD1-CD2 4.21Å; I73-W146 HydrophobicContact CD1-CE3 4.43Å; I73-W146 HydrophobicContact CD1-CG 3.97Å; I73-W146 HydrophobicContact CG1-CB 4.12Å; I73-W146 HydrophobicContact CG1-CD2 3.96Å; I73-W146 HydrophobicContact CG1-CG 3.69Å; I73-W146 HydrophobicContact CG2-CD2 3.77Å; I73-W146 HydrophobicContact CG2-CE3 3.86Å; I73-W146 HydrophobicContact CG2-CG 4.42Å; I73-W146 HydrophobicContact CG2-CH2 4.07Å; I73-W146 HydrophobicContact CG2-CZ2 3.99Å; I73-W146 HydrophobicContact CG2-CZ3 4Å; P74-W146 HydrophobicContact CG-CZ2 3.98Å; G142-W146 PolarHBondContact O-N 3.32Å; G142-W146 VanDerWaalsContact O-N 3.16Å; Y143-W146 AromaticContact CE2-CD1 3.87Å; Y143-W146 WeakPolarHBondContact O-CB 3.45Å; Y143-W146 PolarHBondContact O-N 2.99Å; W146-K148 PolarHBondContact O-N 2.97Å; W146-E149 PolarHBondContact O-N 3.25Å; W146-N150 VanDerWaalsContact CD2-ND2 3.31Å; W146-N150 VanDerWaalsContact CE2-ND2 3.26Å; W146-N150 PolarHBondContact O-N 3.43Å; W146-N150 VanDerWaalsContact O-N 3.13Å; W146-N150 PolarHBondContact O-ND2 3.37Å
147A96.1Very high90.2Very high33 Ų3357.4 Ų57.427%0.27339%0.388SS..Hα-helixtrans-61.7-44.4-179.500000110.8Y143 E149 N150 A151Y143-A147 HydrophobicContact CE1-CB 4.18Å; Y143-A147 VanDerWaalsContact O-CB 3.31Å; Y143-A147 WeakPolarHBondContact O-CB 3.45Å; Y143-A147 PolarHBondContact O-N 2.95Å; A147-E149 VanDerWaalsContact C-N 3.33Å; A147-E149 PolarHBondContact O-N 3.44Å; A147-N150 PolarHBondContact O-N 3.44Å; A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 2.61Å
148K95.7Very high89.7Confident177 Ų17760.1 Ų60.177%0.7741%0.408SS*.Hα-helixtrans-58-42.9177.5-175.3-178.2178.3-176.10112.7N144 A145 W146 N150N144-K148 WeakPolarHBondContact O-CB 3.49Å; N144-K148 PolarHBondContact O-N 3.25Å; A145-K148 PolarHBondContact O-N 2.66Å; W146-K148 PolarHBondContact O-N 2.97Å; K148-N150 VanDerWaalsContact C-N 3.34Å
149E94.6Very high89.2Confident99 Ų9963.7 Ų63.746%0.46343%0.433SS..Hα-helixtrans-77.2-16.3-179.7-75.6-165.9-156.300114.6V44 K48 A145 W146 A147V44-E149 VanDerWaalsContact CB-CD 3.47Å; V44-E149 HydrophobicContact CB-CG 4.45Å; V44-E149 WeakPolarHBondContact CB-OE1 3.3Å; V44-E149 WeakPolarHBondContact CB-OE2 3.45Å; V44-E149 HydrophobicContact CG1-CB 4.11Å; V44-E149 HydrophobicContact CG1-CG 4.35Å; V44-E149 WeakPolarHBondContact CG1-OE2 3.41Å; K48-E149 IonicContact NZ-OE2 3.82Å; A145-E149 PolarHBondContact O-N 2.88Å; W146-E149 PolarHBondContact O-N 3.25Å; A147-E149 VanDerWaalsContact C-N 3.33Å; A147-E149 PolarHBondContact O-N 3.44Å
150N92.1Very high88.5Confident71 Ų7168.3 Ų68.338%0.3846%0.464SS..Hα-helixtrans-113-3.7-179.1-63.7-77.1000113.4K48 W146 A147 K148 G152K48-N150 VanDerWaalsContact CE-OD1 3.32Å; K48-N150 WeakPolarHBondContact CE-OD1 3.21Å; K48-N150 PolarHBondContact NZ-OD1 3.45Å; K48-N150 VanDerWaalsContact NZ-OD1 3.16Å; W146-N150 VanDerWaalsContact CD2-ND2 3.31Å; W146-N150 VanDerWaalsContact CE2-ND2 3.26Å; W146-N150 PolarHBondContact O-N 3.43Å; W146-N150 VanDerWaalsContact O-N 3.13Å; W146-N150 PolarHBondContact O-ND2 3.37Å; A147-N150 PolarHBondContact O-N 3.44Å; K148-N150 VanDerWaalsContact C-N 3.34Å; N150-G152 PolarHBondContact O-N 2.93Å
151A78.2Confident87.8Confident89 Ų8968.1 Ų68.174%0.73647%0.467SS*.SBendtrans-76.23.4174.700000114A147A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 2.61Å
152G57.1Low87Confident80 Ų8071.8 Ų71.883%0.82549%0.485SS*.  trans-117.838.5-175.500000114.7N150N150-G152 PolarHBondContact O-N 2.93Å
153G42.7Very low86Confident145 Ų14578.3 Ų78.3100%1.49553%0.529SS*.  trans-105.2017200000111.9

Retrieved 153 of 153 residues in 33.4 ms (Link to these results)

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