A0A077ZAM5_TRITR Loading...

Acetate kinase and PTA PTB and Aldedh domain cont aining protein

AlphaFold DB , UniProt , Accession A0A077ZAM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 966 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
1M86.6Confident91.7Very high76 Ų7667.6 Ų67.637%0.37437%0.372SS..  0-63.50-166.154.1-174.500114.7T3 N4 I5 I47 G329 P338 T339 V340M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.99Å; M1-N4 WeakPolarHBondContact O-CA 3.46Å; M1-N4 VanDerWaalsContact O-CB 3.31Å; M1-N4 WeakPolarHBondContact O-CB 3.23Å; M1-N4 PolarHBondContact O-N 3.45Å; M1-I5 HydrophobicContact CE-CD1 3.98Å; M1-I5 HydrophobicContact CE-CG1 3.92Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.13Å; M1-I47 HydrophobicContact CB-CD1 3.98Å; M1-I47 HydrophobicContact CB-CG1 3.96Å; M1-I47 HydrophobicContact CG-CD1 4.3Å; M1-I47 HydrophobicContact CG-CG1 4.11Å; M1-G329 WeakPolarHBondContact CE-O 3.5Å; M1-P338 HydrophobicContact CE-CB 3.87Å; M1-T339 WeakPolarHBondContact CE-O 3.39Å; M1-V340 HydrophobicContact CE-CG1 4.38Å; M1-V340 HydrophobicContact CG-CG1 3.99Å
2A88.4Confident91.8Very high24 Ų2470.3 Ų70.320%0.19838%0.376CS..Hα-helixtrans-55-38.9-17600000113.7N4 I5 F6 I47 L50A2-N4 VanDerWaalsContact C-N 3.29Å; A2-N4 PolarHBondContact O-N 3Å; A2-I5 PolarHBondContact O-N 3.12Å; A2-F6 PolarHBondContact O-N 3.01Å; A2-I47 HydrophobicContact CB-CD1 3.69Å; A2-L50 HydrophobicContact CB-CD2 3.65Å; A2-L50 HydrophobicContact CB-CG 4.31Å
3T91.8Very high92Very high108 Ų10870.1 Ų70.166%0.66339%0.391SS*.Hα-helixtrans-58.9-38.5173.4-47.40000112.6M1 A7M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.99Å; T3-A7 VanDerWaalsContact O-CB 3.24Å; T3-A7 WeakPolarHBondContact O-CB 3.39Å; T3-A7 PolarHBondContact O-N 3.41Å
4N92.2Very high92.2Very high44 Ų4467.4 Ų67.424%0.23538%0.379CS..Hα-helixtrans-68.6-43.7178.3-58.1-4.5000110.3M1 A2 A7 S8 P338M1-N4 WeakPolarHBondContact O-CA 3.46Å; M1-N4 VanDerWaalsContact O-CB 3.31Å; M1-N4 WeakPolarHBondContact O-CB 3.23Å; M1-N4 PolarHBondContact O-N 3.45Å; A2-N4 VanDerWaalsContact C-N 3.29Å; A2-N4 PolarHBondContact O-N 3Å; N4-A7 PolarHBondContact O-N 2.98Å; N4-S8 WeakPolarHBondContact O-CB 3.47Å; N4-S8 PolarHBondContact O-N 3.46Å; N4-P338 HydrophobicContact CB-CB 3.81Å; N4-P338 HydrophobicContact CB-CG 3.87Å
5I93.7Very high92.3Very high2 Ų267.5 Ų67.51%0.0138%0.382CS..Hα-helixtrans-58.2-52.7175-61.8175.4000109.7M1 A2 A7 S8 L9 L54 M55 P338 V340M1-I5 HydrophobicContact CE-CD1 3.98Å; M1-I5 HydrophobicContact CE-CG1 3.92Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.13Å; A2-I5 PolarHBondContact O-N 3.12Å; I5-A7 VanDerWaalsContact C-N 3.35Å; I5-A7 PolarHBondContact O-N 3.32Å; I5-S8 PolarHBondContact O-N 2.67Å; I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 HydrophobicContact CG2-CG 4.37Å; I5-L9 WeakPolarHBondContact O-CB 3.4Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.16Å; I5-L54 HydrophobicContact CG2-CB 4.36Å; I5-L54 HydrophobicContact CG2-CD1 4.42Å; I5-M55 HydrophobicContact CG2-CG 4.26Å; I5-P338 HydrophobicContact CG1-CB 3.98Å; I5-V340 HydrophobicContact CD1-CG1 4.05Å
6F93.7Very high92.5Very high114 Ų11465.3 Ų65.350%0.538%0.379SS..Hα-helixtrans-58.2-45.6177.8175.2-102000112.2A2 S8 L9 K10A2-F6 PolarHBondContact O-N 3.01Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.29Å; F6-L9 PolarHBondContact O-N 3.22Å; F6-L9 VanDerWaalsContact O-N 3.17Å; F6-K10 HydrophobicContact CD1-CD 4.29Å; F6-K10 HydrophobicContact CD2-CB 4.48Å; F6-K10 HydrophobicContact CE1-CB 4.21Å; F6-K10 HydrophobicContact CE1-CD 3.76Å; F6-K10 HydrophobicContact CE2-CB 4.04Å; F6-K10 HydrophobicContact CZ-CB 3.9Å; F6-K10 HydrophobicContact CZ-CD 4.17Å; F6-K10 WeakPolarHBondContact O-CB 3.46Å; F6-K10 PolarHBondContact O-N 3.32Å
7A92.5Very high92.6Very high53 Ų5365.9 Ų65.944%0.43838%0.383SS..Hα-helixtrans-60.7-39.4178.900000112.4T3 N4 I5T3-A7 VanDerWaalsContact O-CB 3.24Å; T3-A7 WeakPolarHBondContact O-CB 3.39Å; T3-A7 PolarHBondContact O-N 3.41Å; N4-A7 PolarHBondContact O-N 2.98Å; I5-A7 VanDerWaalsContact C-N 3.35Å; I5-A7 PolarHBondContact O-N 3.32Å
8S91.2Very high92.8Very high32 Ų3266 Ų6622%0.22438%0.381CS..Hα-helixtrans-68.5-32.7175.9-178.80000112.9N4 I5 F6 K12N4-S8 WeakPolarHBondContact O-CB 3.47Å; N4-S8 PolarHBondContact O-N 3.46Å; I5-S8 PolarHBondContact O-N 2.67Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.29Å; S8-K12 WeakPolarHBondContact O-CD 3.35Å; S8-K12 WeakPolarHBondContact O-CE 3.48Å; S8-K12 PolarHBondContact O-NZ 3.27Å; S8-K12 PolarHBondContact OG-NZ 3.22Å
9L93.2Very high92.9Very high35 Ų3569.4 Ų69.418%0.18339%0.387CS..Hα-helixtrans-92.7-35.2-173.8-65.8176.8000114.6I5 F6 N11 K12 M55 K58I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 HydrophobicContact CG2-CG 4.37Å; I5-L9 WeakPolarHBondContact O-CB 3.4Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.16Å; F6-L9 PolarHBondContact O-N 3.22Å; F6-L9 VanDerWaalsContact O-N 3.17Å; L9-N11 VanDerWaalsContact C-N 3.26Å; L9-N11 PolarHBondContact O-N 2.79Å; L9-K12 PolarHBondContact O-N 3.23Å; L9-M55 HydrophobicContact CD1-CG 3.79Å; L9-K58 HydrophobicContact CB-CG 4.3Å; L9-K58 HydrophobicContact CD1-CB 4.44Å; L9-K58 HydrophobicContact CD2-CG 4.49Å; L9-K58 WeakPolarHBondContact O-CE 3.37Å; L9-K58 PolarHBondContact O-NZ 3.02Å
10K93.3Very high93Very high108 Ų10872.7 Ų72.747%0.4740%0.399SS..THydrogen-bonded Turntrans-51.2-39.7-161.962.9-176.7-178.7-178.30114.6F6 K58F6-K10 HydrophobicContact CD1-CD 4.29Å; F6-K10 HydrophobicContact CD2-CB 4.48Å; F6-K10 HydrophobicContact CE1-CB 4.21Å; F6-K10 HydrophobicContact CE1-CD 3.76Å; F6-K10 HydrophobicContact CE2-CB 4.04Å; F6-K10 HydrophobicContact CZ-CB 3.9Å; F6-K10 HydrophobicContact CZ-CD 4.17Å; F6-K10 WeakPolarHBondContact O-CB 3.46Å; F6-K10 PolarHBondContact O-N 3.32Å; K10-K58 PolarHBondContact O-NZ 3.02Å
11N91.9Very high93.1Very high148 Ų14869.4 Ų69.479%0.79138%0.381SS*.THydrogen-bonded Turntrans-101.10.7-175.6-64.9-20.7000114.6L9L9-N11 VanDerWaalsContact C-N 3.26Å; L9-N11 PolarHBondContact O-N 2.79Å
12K92.9Very high93.5Very high99 Ų9970.5 Ų70.543%0.4339%0.394SS..SBendtrans-77.9134.4179.6-69.3-179175.8168.70110.9S8 L9 K58S8-K12 WeakPolarHBondContact O-CD 3.35Å; S8-K12 WeakPolarHBondContact O-CE 3.48Å; S8-K12 PolarHBondContact O-NZ 3.27Å; S8-K12 PolarHBondContact OG-NZ 3.22Å; L9-K12 PolarHBondContact O-N 3.23Å; K12-K58 WeakPolarHBondContact O-CE 3.27Å; K12-K58 PolarHBondContact O-NZ 2.87Å
13A95.1Very high93.8Very high68 Ų6876.8 Ų76.856%0.56242%0.419SS*.  trans-66.1138.6170.100000109.6I18A13-I18 HydrophobicContact CB-CB 3.94Å; A13-I18 HydrophobicContact CB-CG2 3.83Å
14S94.1Very high93.9Very high32 Ų3277.9 Ų77.922%0.22442%0.417CS..  trans-1527.2-17242.10000113.3A30 K58S14-A30 WeakPolarHBondContact O-CB 3.41Å; S14-K58 WeakPolarHBondContact CB-O 3.25Å; S14-K58 WeakPolarHBondContact OG-CE 3.48Å; S14-K58 PolarHBondContact OG-O 3.33Å; S14-K58 VanDerWaalsContact OG-O 3.13Å
15V94.2Very high94Very high70 Ų7079 Ų7942%0.42444%0.438SS..SBendtrans-144.6126.1-172.5179.60000108.3K60V15-K60 HydrophobicContact CB-CD 4.45Å; V15-K60 HydrophobicContact CG1-CD 3.95Å; V15-K60 VanDerWaalsContact CG1-CE 3.46Å; V15-K60 HydrophobicContact CG2-CD 3.69Å; V15-K60 HydrophobicContact CG2-CG 3.96Å
16G94.6Very high94Very high32 Ų3282.9 Ų82.933%0.3346%0.459SS..EExtended strand (participates in β ladder)trans69.3-145.3-18000000111.4I18 I29 A30G16-I18 PolarHBondContact O-N 3.49Å; G16-I29 CarbonylContact O-C 3.49Å; G16-I29 VanDerWaalsContact O-CA 3.3Å; G16-I29 WeakPolarHBondContact O-CA 3.28Å; G16-A30 PolarHBondContact O-N 2.95Å
17V95.6Very high94.1Very high76 Ų7681.3 Ų81.346%0.46146%0.458SS..EExtended strand (participates in β ladder)trans-65.8117.6176.9-1790000109.1E20 V27 E28 I29V17-E20 HydrophobicContact CG1-CG 3.8Å; V17-V27 HydrophobicContact CB-CG1 4.5Å; V17-V27 HydrophobicContact CG1-CG1 3.76Å; V17-V27 HydrophobicContact CG2-CG1 4.05Å; V17-E28 WeakPolarHBondContact CA-O 3.32Å; V17-I29 HydrophobicContact CG2-CD1 4.5Å; V17-I29 HydrophobicContact CG2-CG1 4.19Å
18I95Very high94.2Very high67 Ų6782.3 Ų82.334%0.34445%0.454SS..EExtended strand (participates in β ladder)trans-103.4-22.3178.958.9169.3000112.5A13 G16 E28 A30A13-I18 HydrophobicContact CB-CB 3.94Å; A13-I18 HydrophobicContact CB-CG2 3.83Å; G16-I18 PolarHBondContact O-N 3.49Å; I18-E28 HydrophobicContact CD1-CB 4.32Å; I18-E28 HydrophobicContact CG1-CB 3.84Å; I18-E28 WeakPolarHBondContact CG1-O 3.35Å; I18-E28 PolarHBondContact N-O 3.3Å; I18-A30 HydrophobicContact CD1-CB 4.37Å; I18-A30 HydrophobicContact CG2-CB 3.64Å
19R94.5Very high94.4Very high131 Ų13185 Ų8549%0.49447%0.465SS..EExtended strand (participates in β ladder)trans-159.1141.9179.1-168.8178.1174.9-165.9-5.2110.2I21 E28R19-I21 HydrophobicContact CG-CD1 4.42Å; R19-I21 HydrophobicContact CG-CG1 3.91Å; R19-I21 VanDerWaalsContact CZ-CD1 3.45Å; R19-E28 HydrophobicContact CB-CB 4.1Å; R19-E28 HydrophobicContact CB-CG 4.34Å; R19-E28 WeakPolarHBondContact CB-OE2 3.23Å; R19-E28 WeakPolarHBondContact CD-OE2 3.41Å; R19-E28 IonicContact NH1-OE1 3.79Å; R19-E28 PolarHBondContact O-N 2.71Å
20E96.5Very high94.5Very high134 Ų13484.7 Ų84.763%0.62647%0.468SS*.EExtended strand (participates in β ladder)trans-116.6134.3166.4-65.5-179.1-136.100107.4V17 V27V17-E20 HydrophobicContact CG1-CG 3.8Å; E20-V27 HydrophobicContact CG-CG1 4.19Å; E20-V27 HydrophobicContact CG-CG2 4.26Å
21I94.3Very high94.5Very high4 Ų486.8 Ų86.82%0.02148%0.479CS..EExtended strand (participates in β ladder)trans-12774.6-179.6-45.8175000107.6R19 E23 E24 G25 L26R19-I21 HydrophobicContact CG-CD1 4.42Å; R19-I21 HydrophobicContact CG-CG1 3.91Å; R19-I21 VanDerWaalsContact CZ-CD1 3.45Å; I21-E23 HydrophobicContact CG2-CG 3.96Å; I21-E23 WeakPolarHBondContact CG2-OE1 3.38Å; I21-E23 PolarHBondContact O-N 2.86Å; I21-E24 HydrophobicContact CB-CB 4.49Å; I21-E24 HydrophobicContact CG2-CB 3.91Å; I21-E24 HydrophobicContact CG2-CG 3.89Å; I21-E24 PolarHBondContact O-N 3.04Å; I21-E24 VanDerWaalsContact O-N 3.09Å; I21-G25 PolarHBondContact O-N 2.84Å; I21-G25 VanDerWaalsContact O-N 3.08Å; I21-L26 HydrophobicContact CB-CB 4.28Å; I21-L26 PolarHBondContact N-O 3.08Å; I21-L26 PolarHBondContact O-N 3.37Å; I21-L26 VanDerWaalsContact O-N 3.09Å
22P94.7Very high94.6Very high100 Ų10082.9 Ų82.965%0.64946%0.462SS*.THydrogen-bonded Turntrans-60-32.1-171.5-24.835.5000114E24 G25P22-E24 VanDerWaalsContact C-N 3.25Å; P22-E24 PolarHBondContact O-N 3.47Å; P22-G25 PolarHBondContact O-N 3.12Å; P22-G25 VanDerWaalsContact O-N 3.12Å
23E94.9Very high94.7Very high156 Ų15685 Ų8573%0.72947%0.467SS*.THydrogen-bonded Turntrans-62.8-29.2177.259.7-85.6-161.500113.4I21I21-E23 HydrophobicContact CG2-CG 3.96Å; I21-E23 WeakPolarHBondContact CG2-OE1 3.38Å; I21-E23 PolarHBondContact O-N 2.86Å
24E94.5Very high94.7Very high130 Ų13083 Ų8361%0.60745%0.454SS*.THydrogen-bonded Turntrans-98.6-7.2174.7-66.6179.1-151.900112.2I21 P22 L26I21-E24 HydrophobicContact CB-CB 4.49Å; I21-E24 HydrophobicContact CG2-CB 3.91Å; I21-E24 HydrophobicContact CG2-CG 3.89Å; I21-E24 PolarHBondContact O-N 3.04Å; I21-E24 VanDerWaalsContact O-N 3.09Å; P22-E24 VanDerWaalsContact C-N 3.25Å; P22-E24 PolarHBondContact O-N 3.47Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 HydrophobicContact CB-CB 4.5Å; E24-L26 HydrophobicContact CB-CD1 3.99Å; E24-L26 HydrophobicContact CB-CG 3.97Å; E24-L26 WeakPolarHBondContact OE2-CD1 3.28Å
25G93Very high94.9Very high67 Ų6783.8 Ų83.869%0.69146%0.457SS*.THydrogen-bonded Turntrans69.928.7-173.600000113.5I21 P22I21-G25 PolarHBondContact O-N 2.84Å; I21-G25 VanDerWaalsContact O-N 3.08Å; P22-G25 PolarHBondContact O-N 3.12Å; P22-G25 VanDerWaalsContact O-N 3.12Å
26L94.3Very high95.1Very high85 Ų8581.1 Ų81.145%0.44544%0.44SS..EExtended strand (participates in β ladder)trans-111.9146.3-174.5-62.3178.2000113.1I21 E24I21-L26 HydrophobicContact CB-CB 4.28Å; I21-L26 PolarHBondContact N-O 3.08Å; I21-L26 PolarHBondContact O-N 3.37Å; I21-L26 VanDerWaalsContact O-N 3.09Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 HydrophobicContact CB-CB 4.5Å; E24-L26 HydrophobicContact CB-CD1 3.99Å; E24-L26 HydrophobicContact CB-CG 3.97Å; E24-L26 WeakPolarHBondContact OE2-CD1 3.28Å
27V95.7Very high95.2Very high80 Ų8079.7 Ų79.749%0.48543%0.425SS..EExtended strand (participates in β ladder)trans-129.5121.9167.6-178.60000107.8V17 E20 I29V17-V27 HydrophobicContact CB-CG1 4.5Å; V17-V27 HydrophobicContact CG1-CG1 3.76Å; V17-V27 HydrophobicContact CG2-CG1 4.05Å; E20-V27 HydrophobicContact CG-CG1 4.19Å; E20-V27 HydrophobicContact CG-CG2 4.26Å; V27-I29 HydrophobicContact CG1-CD1 4.41Å; V27-I29 HydrophobicContact CG1-CG1 4.02Å
28E95Very high95.3Very high74 Ų7476 Ų7635%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-93.5122.7177.8-62.4177.8176.700109.7V17 I18 R19V17-E28 WeakPolarHBondContact CA-O 3.32Å; I18-E28 HydrophobicContact CD1-CB 4.32Å; I18-E28 HydrophobicContact CG1-CB 3.84Å; I18-E28 WeakPolarHBondContact CG1-O 3.35Å; I18-E28 PolarHBondContact N-O 3.3Å; R19-E28 HydrophobicContact CB-CB 4.1Å; R19-E28 HydrophobicContact CB-CG 4.34Å; R19-E28 WeakPolarHBondContact CB-OE2 3.23Å; R19-E28 WeakPolarHBondContact CD-OE2 3.41Å; R19-E28 IonicContact NH1-OE1 3.79Å; R19-E28 PolarHBondContact O-N 2.71Å
29I96.2Very high95.2Very high90 Ų9073.2 Ų73.246%0.46239%0.389SS..EExtended strand (participates in β ladder)trans-121119.7-178-55.9179.8000109.9G16 V17 V27 H31G16-I29 CarbonylContact O-C 3.49Å; G16-I29 VanDerWaalsContact O-CA 3.3Å; G16-I29 WeakPolarHBondContact O-CA 3.28Å; V17-I29 HydrophobicContact CG2-CD1 4.5Å; V17-I29 HydrophobicContact CG2-CG1 4.19Å; V27-I29 HydrophobicContact CG1-CD1 4.41Å; V27-I29 HydrophobicContact CG1-CG1 4.02Å; I29-H31 PolarHBondContact O-ND1 2.95Å; I29-H31 VanDerWaalsContact O-ND1 3.15Å
30A93.8Very high95.1Very high28 Ų2867.1 Ų67.123%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-76.2125.2179.300000112.2S14 G16 I18S14-A30 WeakPolarHBondContact O-CB 3.41Å; G16-A30 PolarHBondContact O-N 2.95Å; I18-A30 HydrophobicContact CD1-CB 4.37Å; I18-A30 HydrophobicContact CG2-CB 3.64Å
31H93.8Very high94.9Very high151 Ų15161.6 Ų61.670%0.69934%0.342SS*.  trans-116133.2174.1-69.481.3000110.4I29I29-H31 PolarHBondContact O-ND1 2.95Å; I29-H31 VanDerWaalsContact O-ND1 3.15Å
32P94.9Very high94.8Very high67 Ų6763.9 Ų63.944%0.43536%0.356SS..  trans-62.1151.1172.9-17.630.9000110.9K60P32-K60 HydrophobicContact CB-CB 4.35Å; P32-K60 HydrophobicContact CG-CB 3.78Å
33R93.6Very high94.7Very high142 Ų14260.6 Ų60.654%0.53633%0.334SS..  trans-76-33170-63.9-64-77.4-178.4-7.7111.8N61 D115 L116R33-N61 PolarHBondContact N-OD1 2.85Å; R33-D115 VanDerWaalsContact O-CB 3.29Å; R33-D115 WeakPolarHBondContact O-CB 3.33Å; R33-L116 HydrophobicContact CG-CD2 4.34Å
34G96.5Very high94.6Very high28 Ų2854.4 Ų54.429%0.28931%0.306SS..  trans123-115.6-179.500000111.4N61 A62 D115G34-N61 PolarHBondContact N-OD1 2.98Å; G34-N61 VanDerWaalsContact N-OD1 3.14Å; G34-N61 WeakPolarHBondContact O-CA 3.35Å; G34-N61 WeakPolarHBondContact O-CB 3.21Å; G34-A62 PolarHBondContact O-N 2.92Å; G34-D115 WeakPolarHBondContact CA-OD2 3.24Å
35V97.5Very high94.6Very high48 Ų4849.2 Ų49.229%0.29128%0.284SS..EExtended strand (participates in β ladder)trans-99.5125.9177.3-172.50000110I64 V114 D115 L116V35-I64 HydrophobicContact CG1-CD1 3.91Å; V35-I64 HydrophobicContact CG1-CG1 4.05Å; V35-V114 HydrophobicContact CG1-CG1 3.96Å; V35-D115 PolarHBondContact N-OD2 3.48Å; V35-D115 PolarHBondContact O-N 2.85Å; V35-L116 PolarHBondContact O-N 3.28Å
36I97.8Very high94.7Very high14 Ų1449.1 Ų49.17%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-100.9124.2177.3-60.7177.5000109.6A56 N61 A62 M63 I64 L116 V118I36-A56 HydrophobicContact CD1-CB 3.88Å; I36-N61 HydrophobicContact CD1-CB 3.67Å; I36-N61 HydrophobicContact CG1-CB 4.01Å; I36-A62 PolarHBondContact N-O 2.72Å; I36-M63 HydrophobicContact CB-CB 4.5Å; I36-M63 HydrophobicContact CB-CG 4.35Å; I36-M63 HydrophobicContact CG2-CG 4.4Å; I36-M63 CarbonylContact O-C 3.41Å; I36-M63 VanDerWaalsContact O-CA 3.25Å; I36-M63 WeakPolarHBondContact O-CA 3.08Å; I36-M63 WeakPolarHBondContact O-CG 3.32Å; I36-I64 PolarHBondContact O-N 2.92Å; I36-L116 CarbonylContact C-O 3.48Å; I36-L116 VanDerWaalsContact CA-O 3.31Å; I36-L116 WeakPolarHBondContact CA-O 3.31Å; I36-L116 HydrophobicContact CD1-CD2 4.31Å; I36-L116 HydrophobicContact CG1-CB 4.41Å; I36-L116 HydrophobicContact CG1-CD2 4.29Å; I36-V118 HydrophobicContact CG2-CB 4.48Å; I36-V118 HydrophobicContact CG2-CG2 3.8Å
37G97.3Very high94.7Very high1 Ų146.8 Ų46.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-87.7112.6167.600000110.4L116 I117 V118G37-L116 PolarHBondContact N-O 3.45Å; G37-I117 CarbonylContact O-C 3.52Å; G37-I117 WeakPolarHBondContact O-CA 3.49Å; G37-V118 PolarHBondContact O-N 3.29Å
38S96.8Very high94.7Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-107.4112.8179177.60000110.4N52 M63 I64 V65 S66 V118S38-N52 PolarHBondContact OG-ND2 3.36Å; S38-N52 VanDerWaalsContact OG-ND2 3.12Å; S38-M63 VanDerWaalsContact CB-SD 3.56Å; S38-I64 PolarHBondContact N-O 3.36Å; S38-V65 CarbonylContact O-C 3.58Å; S38-V65 VanDerWaalsContact O-CA 3.24Å; S38-V65 WeakPolarHBondContact O-CA 3.45Å; S38-S66 PolarHBondContact O-N 2.81Å; S38-V118 WeakPolarHBondContact CA-O 3.3Å
39V94Very high94.7Very high7 Ų739.5 Ų39.54%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-96127.9172.7-168.10000109.4S66 M111 V118 T120 L125V39-S66 WeakPolarHBondContact CA-O 3.13Å; V39-M111 HydrophobicContact CG2-CE 3.7Å; V39-V118 PolarHBondContact N-O 2.7Å; V39-T120 PolarHBondContact O-N 2.7Å; V39-L125 HydrophobicContact CB-CD1 4.45Å; V39-L125 HydrophobicContact CB-CD2 3.86Å; V39-L125 HydrophobicContact CG1-CD1 3.85Å; V39-L125 HydrophobicContact CG1-CD2 3.43Å; V39-L125 VanDerWaalsContact CG1-CD2 3.43Å; V39-L125 HydrophobicContact CG1-CG 4.19Å
40T92.4Very high94.7Very high4 Ų437.7 Ų37.73%0.02521%0.209CC..  trans-113.7145.7-168.462.70000113T48 P49 V65 S66 P67 H68 T120T40-T48 HydrophobicContact CG2-CG2 3.97Å; T40-P49 HydrophobicContact CG2-CB 4.17Å; T40-P49 HydrophobicContact CG2-CG 4.46Å; T40-V65 HydrophobicContact CG2-CG1 3.69Å; T40-S66 PolarHBondContact N-O 2.77Å; T40-P67 WeakPolarHBondContact OG1-CA 3.22Å; T40-H68 PolarHBondContact O-N 3.14Å; T40-T120 CarbonylContact C-O 3.53Å
41P92.3Very high94.8Very high17 Ų1736.4 Ų36.411%0.1120%0.198CC..  trans-81.9166.9-176.435.3-35.7000111.5T43 N44 T120P41-T43 VanDerWaalsContact C-N 3.3Å; P41-N44 HydrophobicContact CG-CB 4.15Å; P41-T120 VanDerWaalsContact CD-O 3.23Å; P41-T120 WeakPolarHBondContact CD-O 3.39Å; P41-T120 HydrophobicContact CG-CG2 4.1Å
42T93Very high94.9Very high53 Ų5329.6 Ų29.633%0.32517%0.167SC..SBendtrans-75.6-19171.7-167.50000113.7P45T42-P45 WeakPolarHBondContact O-CD 3.06Å
43T91.2Very high94.9Very high30 Ų3026.4 Ų26.418%0.18415%0.146CC..SBendtrans-80.3-40.2-17452.30000112.3P41 P45 I171 M265P41-T43 VanDerWaalsContact C-N 3.3Å; T43-P45 VanDerWaalsContact O-CD 3.22Å; T43-P45 WeakPolarHBondContact O-CD 3.12Å; T43-I171 HydrophobicContact CG2-CD1 3.77Å; T43-I171 HydrophobicContact CG2-CG1 3.66Å; T43-M265 HydrophobicContact CG2-CE 3.5Å
44N92.7Very high95Very high26 Ų2622 Ų2214%0.13913%0.133CC..SBendtrans-11952.2-178.7-69-29.1000112.2P41 T46 I47 T48P41-N44 HydrophobicContact CG-CB 4.15Å; N44-T46 PolarHBondContact O-N 3.36Å; N44-T46 VanDerWaalsContact O-N 3.17Å; N44-I47 HydrophobicContact CB-CG2 3.67Å; N44-T48 VanDerWaalsContact CB-OG1 3.24Å; N44-T48 WeakPolarHBondContact CB-OG1 3.29Å; N44-T48 VanDerWaalsContact O-CB 3.3Å; N44-T48 WeakPolarHBondContact O-CB 3.35Å; N44-T48 PolarHBondContact O-N 3.4Å; N44-T48 VanDerWaalsContact O-N 3.13Å; N44-T48 PolarHBondContact O-OG1 3.12Å; N44-T48 VanDerWaalsContact O-OG1 3.07Å
45P94.5Very high94.9Very high22 Ų2223.6 Ų23.614%0.14313%0.134CC..THydrogen-bonded Turntrans-70.1-18.6-165.231-37.6000114.3T42 T43 P49 S71 T74 T75T42-P45 WeakPolarHBondContact O-CD 3.06Å; T43-P45 VanDerWaalsContact O-CD 3.22Å; T43-P45 WeakPolarHBondContact O-CD 3.12Å; P45-P49 WeakPolarHBondContact O-CD 3.34Å; P45-P49 WeakPolarHBondContact O-CG 3.39Å; P45-S71 VanDerWaalsContact CB-CB 3.46Å; P45-T74 HydrophobicContact CG-CG2 4.31Å; P45-T75 PolarHBondContact O-OG1 2.85Å
46T95.8Very high94.8Very high64 Ų6421.5 Ų21.539%0.39312%0.122SC..THydrogen-bonded Turntrans-97.5-52.9177.654.70000111.1N44 T48 P49 L50 T74 T78N44-T46 PolarHBondContact O-N 3.36Å; N44-T46 VanDerWaalsContact O-N 3.17Å; T46-T48 PolarHBondContact O-N 2.89Å; T46-P49 WeakPolarHBondContact O-CD 3.25Å; T46-P49 VanDerWaalsContact O-CG 3.3Å; T46-P49 WeakPolarHBondContact O-CG 3.36Å; T46-L50 VanDerWaalsContact O-CB 3.25Å; T46-L50 WeakPolarHBondContact O-CB 3.37Å; T46-L50 PolarHBondContact O-N 2.88Å; T46-T74 HydrophobicContact CG2-CG2 3.51Å; T46-T78 WeakPolarHBondContact CG2-OG1 3.33Å
47I94.6Very high94.7Very high37 Ų3723 Ų2319%0.1913%0.129CC..Hα-helixtrans-72.1-32.5-170.9-168.853.7000112.5M1 A2 N44 L50 G51 V340M1-I47 HydrophobicContact CB-CD1 3.98Å; M1-I47 HydrophobicContact CB-CG1 3.96Å; M1-I47 HydrophobicContact CG-CD1 4.3Å; M1-I47 HydrophobicContact CG-CG1 4.11Å; A2-I47 HydrophobicContact CB-CD1 3.69Å; N44-I47 HydrophobicContact CB-CG2 3.67Å; I47-L50 HydrophobicContact CD1-CD2 4.27Å; I47-G51 PolarHBondContact O-N 3.09Å; I47-V340 HydrophobicContact CG1-CG1 3.78Å; I47-V340 HydrophobicContact CG2-CG1 4.5Å
48T95.1Very high94.6Very high0 Ų025.8 Ų25.80%014%0.141CC..Hα-helixtrans-64.3-57.4177.6-580000113T40 N44 T46 L50 G51 N52 T120 V340T40-T48 HydrophobicContact CG2-CG2 3.97Å; N44-T48 VanDerWaalsContact CB-OG1 3.24Å; N44-T48 WeakPolarHBondContact CB-OG1 3.29Å; N44-T48 VanDerWaalsContact O-CB 3.3Å; N44-T48 WeakPolarHBondContact O-CB 3.35Å; N44-T48 PolarHBondContact O-N 3.4Å; N44-T48 VanDerWaalsContact O-N 3.13Å; N44-T48 PolarHBondContact O-OG1 3.12Å; N44-T48 VanDerWaalsContact O-OG1 3.07Å; T46-T48 PolarHBondContact O-N 2.89Å; T48-L50 VanDerWaalsContact C-N 3.26Å; T48-L50 PolarHBondContact O-N 3.25Å; T48-G51 PolarHBondContact O-N 3.42Å; T48-N52 WeakPolarHBondContact O-CB 3.3Å; T48-N52 PolarHBondContact O-N 2.97Å; T48-T120 HydrophobicContact CG2-CG2 4Å; T48-V340 HydrophobicContact CG2-CG2 4.36Å
49P95.6Very high94.5Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-61.9-34.6176.725.4-35.4000112.3T40 P45 T46 G53 V65 T75 T78 I79T40-P49 HydrophobicContact CG2-CB 4.17Å; T40-P49 HydrophobicContact CG2-CG 4.46Å; P45-P49 WeakPolarHBondContact O-CD 3.34Å; P45-P49 WeakPolarHBondContact O-CG 3.39Å; T46-P49 WeakPolarHBondContact O-CD 3.25Å; T46-P49 VanDerWaalsContact O-CG 3.3Å; T46-P49 WeakPolarHBondContact O-CG 3.36Å; P49-G53 PolarHBondContact O-N 3.41Å; P49-V65 HydrophobicContact CB-CG1 4.34Å; P49-V65 HydrophobicContact CB-CG2 4.29Å; P49-T75 HydrophobicContact CB-CG2 4.3Å; P49-T75 HydrophobicContact CG-CG2 3.89Å; P49-T78 HydrophobicContact CG-CG2 4.37Å; P49-I79 HydrophobicContact CB-CD1 3.96Å; P49-I79 HydrophobicContact CB-CG1 4.37Å
50L95.9Very high94.5Very high53 Ų5332.8 Ų32.828%0.27718%0.177SC..Hα-helixtrans-63-50.7176-178.764.8000112A2 T46 I47 T48 G53 L54 T78 M82A2-L50 HydrophobicContact CB-CD2 3.65Å; A2-L50 HydrophobicContact CB-CG 4.31Å; T46-L50 VanDerWaalsContact O-CB 3.25Å; T46-L50 WeakPolarHBondContact O-CB 3.37Å; T46-L50 PolarHBondContact O-N 2.88Å; I47-L50 HydrophobicContact CD1-CD2 4.27Å; T48-L50 VanDerWaalsContact C-N 3.26Å; T48-L50 PolarHBondContact O-N 3.25Å; L50-G53 PolarHBondContact O-N 3.47Å; L50-L54 WeakPolarHBondContact O-CG 3.2Å; L50-L54 PolarHBondContact O-N 2.97Å; L50-T78 HydrophobicContact CB-CG2 4.37Å; L50-M82 HydrophobicContact CB-SD 4.3Å; L50-M82 HydrophobicContact CD1-CE 3.83Å; L50-M82 HydrophobicContact CD1-CG 3.88Å; L50-M82 HydrophobicContact CD1-SD 3.71Å
51G95.3Very high94.7Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-63-48.8179.200000112.4I47 T48 G53 L54 M55I47-G51 PolarHBondContact O-N 3.09Å; T48-G51 PolarHBondContact O-N 3.42Å; G51-G53 VanDerWaalsContact C-N 3.33Å; G51-G53 PolarHBondContact O-N 3.28Å; G51-L54 PolarHBondContact O-N 3.13Å; G51-M55 WeakPolarHBondContact O-CE 3.41Å; G51-M55 PolarHBondContact O-N 3.45Å; G51-M55 VanDerWaalsContact O-N 3.16Å
52N95.4Very high95Very high8 Ų833.6 Ų33.64%0.04318%0.184CC..Hα-helixtrans-62.7-40.3177.9-70.3-5.9000111.7S38 T48 M55 A56 M63 V118 V340 S341S38-N52 PolarHBondContact OG-ND2 3.36Å; S38-N52 VanDerWaalsContact OG-ND2 3.12Å; T48-N52 WeakPolarHBondContact O-CB 3.3Å; T48-N52 PolarHBondContact O-N 2.97Å; N52-M55 PolarHBondContact O-N 3.37Å; N52-A56 VanDerWaalsContact O-CB 3.3Å; N52-A56 WeakPolarHBondContact O-CB 3.25Å; N52-A56 PolarHBondContact O-N 3.31Å; N52-M63 HydrophobicContact CB-CE 4.5Å; N52-M63 HydrophobicContact CB-SD 3.75Å; N52-V118 WeakPolarHBondContact ND2-CG1 3.28Å; N52-V340 WeakPolarHBondContact OD1-CG2 3.49Å; N52-S341 PolarHBondContact OD1-OG 3.24Å
53G95.7Very high95.2Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-65.4-41.5176.900000113.2P49 L50 G51 M55 A56 L57P49-G53 PolarHBondContact O-N 3.41Å; L50-G53 PolarHBondContact O-N 3.47Å; G51-G53 VanDerWaalsContact C-N 3.33Å; G51-G53 PolarHBondContact O-N 3.28Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.05Å; G53-A56 PolarHBondContact O-N 2.92Å; G53-L57 VanDerWaalsContact O-CB 3.32Å; G53-L57 WeakPolarHBondContact O-CB 3.4Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.24Å
54L95.5Very high95.6Very high50 Ų5031.6 Ų31.626%0.26217%0.17SC..Hα-helixtrans-59.7-42.9174.4-73.3174.4000111.9I5 L50 G51 K58I5-L54 HydrophobicContact CG2-CB 4.36Å; I5-L54 HydrophobicContact CG2-CD1 4.42Å; L50-L54 WeakPolarHBondContact O-CG 3.2Å; L50-L54 PolarHBondContact O-N 2.97Å; G51-L54 PolarHBondContact O-N 3.13Å; L54-K58 VanDerWaalsContact O-CB 3.25Å; L54-K58 WeakPolarHBondContact O-CB 3.44Å; L54-K58 PolarHBondContact O-N 2.84Å
55M94.6Very high95.8Very high62 Ų6230.4 Ų30.431%0.30516%0.163SC..Hα-helixtrans-67.3-45.6176.8-71.1-177.2-73.600112.1I5 L9 G51 N52 G53 K58 G59I5-M55 HydrophobicContact CG2-CG 4.26Å; L9-M55 HydrophobicContact CD1-CG 3.79Å; G51-M55 WeakPolarHBondContact O-CE 3.41Å; G51-M55 PolarHBondContact O-N 3.45Å; G51-M55 VanDerWaalsContact O-N 3.16Å; N52-M55 PolarHBondContact O-N 3.37Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.05Å; M55-K58 PolarHBondContact O-N 2.74Å; M55-G59 PolarHBondContact O-N 3.39Å; M55-G59 VanDerWaalsContact O-N 3.15Å
56A95.5Very high95.9Very high4 Ų429.3 Ų29.33%0.03316%0.156CC..Hα-helixtrans-58.2-52.317800000111.3I36 N52 G53 K58 G59 K60 N61 M63I36-A56 HydrophobicContact CD1-CB 3.88Å; N52-A56 VanDerWaalsContact O-CB 3.3Å; N52-A56 WeakPolarHBondContact O-CB 3.25Å; N52-A56 PolarHBondContact O-N 3.31Å; G53-A56 PolarHBondContact O-N 2.92Å; A56-K58 PolarHBondContact O-N 3.38Å; A56-G59 CarbonylContact O-C 3.59Å; A56-G59 PolarHBondContact O-N 3.17Å; A56-G59 VanDerWaalsContact O-N 3.16Å; A56-K60 PolarHBondContact O-N 2.85Å; A56-N61 HydrophobicContact CB-CB 4.27Å; A56-N61 WeakPolarHBondContact O-CB 3.43Å; A56-N61 PolarHBondContact O-N 3.05Å; A56-N61 PolarHBondContact O-ND2 2.78Å; A56-N61 VanDerWaalsContact O-ND2 3.13Å; A56-M63 HydrophobicContact CB-CB 4.13Å; A56-M63 HydrophobicContact CB-SD 4.48Å
57L95.7Very high95.9Very high44 Ų4426.4 Ų26.423%0.2314%0.139CC..Hα-helixtrans-62.4-41.2179.6-70.1170.8000112G53 G59 K60 L86 L95 L96G53-L57 VanDerWaalsContact O-CB 3.32Å; G53-L57 WeakPolarHBondContact O-CB 3.4Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.24Å; L57-G59 PolarHBondContact O-N 2.88Å; L57-K60 PolarHBondContact O-N 3.3Å; L57-L86 HydrophobicContact CD1-CD1 4.48Å; L57-L86 HydrophobicContact CD1-CD2 3.86Å; L57-L86 HydrophobicContact CD2-CD1 4.44Å; L57-L86 HydrophobicContact CD2-CD2 4.16Å; L57-L95 HydrophobicContact CD2-CB 3.96Å; L57-L95 HydrophobicContact CD2-CD1 3.91Å; L57-L96 HydrophobicContact CD1-CD1 4.07Å; L57-L96 HydrophobicContact CD1-CD2 4.47Å; L57-L96 HydrophobicContact CD1-CG 4.42Å; L57-L96 HydrophobicContact CG-CD2 4.37Å
58K94.9Very high95.9Very high60 Ų6028 Ų2826%0.26115%0.145SC..Hα-helixtrans-58.2-38.4176.5179.460.9176.7-1800111.6L9 K10 K12 S14 L54 M55 A56 K60L9-K58 HydrophobicContact CB-CG 4.3Å; L9-K58 HydrophobicContact CD1-CB 4.44Å; L9-K58 HydrophobicContact CD2-CG 4.49Å; L9-K58 WeakPolarHBondContact O-CE 3.37Å; L9-K58 PolarHBondContact O-NZ 3.02Å; K10-K58 PolarHBondContact O-NZ 3.02Å; K12-K58 WeakPolarHBondContact O-CE 3.27Å; K12-K58 PolarHBondContact O-NZ 2.87Å; S14-K58 WeakPolarHBondContact CB-O 3.25Å; S14-K58 WeakPolarHBondContact OG-CE 3.48Å; S14-K58 PolarHBondContact OG-O 3.33Å; S14-K58 VanDerWaalsContact OG-O 3.13Å; L54-K58 VanDerWaalsContact O-CB 3.25Å; L54-K58 WeakPolarHBondContact O-CB 3.44Å; L54-K58 PolarHBondContact O-N 2.84Å; M55-K58 PolarHBondContact O-N 2.74Å; A56-K58 PolarHBondContact O-N 3.38Å; K58-K60 VanDerWaalsContact C-N 3.29Å; K58-K60 PolarHBondContact O-N 2.77Å
59G94Very high95.8Very high22 Ų2231.6 Ų31.623%0.22717%0.168CC..THydrogen-bonded Turntrans-84.712.4174.700000115.3M55 A56 L57 N61M55-G59 PolarHBondContact O-N 3.39Å; M55-G59 VanDerWaalsContact O-N 3.15Å; A56-G59 CarbonylContact O-C 3.59Å; A56-G59 PolarHBondContact O-N 3.17Å; A56-G59 VanDerWaalsContact O-N 3.16Å; L57-G59 PolarHBondContact O-N 2.88Å; G59-N61 VanDerWaalsContact C-N 3.31Å; G59-N61 VanDerWaalsContact C-ND2 3.34Å; G59-N61 PolarHBondContact O-N 2.83Å; G59-N61 PolarHBondContact O-ND2 2.86Å; G59-N61 VanDerWaalsContact O-ND2 3.1Å
60K95.1Very high95.7Very high132 Ų13240.8 Ų40.857%0.57420%0.203SC*.THydrogen-bonded Turntrans59.233.6-176.7-76.1-174.9165.9-171.70114.8V15 P32 A56 L57 K58V15-K60 HydrophobicContact CB-CD 4.45Å; V15-K60 HydrophobicContact CG1-CD 3.95Å; V15-K60 VanDerWaalsContact CG1-CE 3.46Å; V15-K60 HydrophobicContact CG2-CD 3.69Å; V15-K60 HydrophobicContact CG2-CG 3.96Å; P32-K60 HydrophobicContact CB-CB 4.35Å; P32-K60 HydrophobicContact CG-CB 3.78Å; A56-K60 PolarHBondContact O-N 2.85Å; L57-K60 PolarHBondContact O-N 3.3Å; K58-K60 VanDerWaalsContact C-N 3.29Å; K58-K60 PolarHBondContact O-N 2.77Å
61N96.9Very high95.6Very high14 Ų1438.5 Ų38.58%0.07519%0.192CC..  trans-100.1150.9175.8-51.8-77.6000110.8R33 G34 I36 A56 G59R33-N61 PolarHBondContact N-OD1 2.85Å; G34-N61 PolarHBondContact N-OD1 2.98Å; G34-N61 VanDerWaalsContact N-OD1 3.14Å; G34-N61 WeakPolarHBondContact O-CA 3.35Å; G34-N61 WeakPolarHBondContact O-CB 3.21Å; I36-N61 HydrophobicContact CD1-CB 3.67Å; I36-N61 HydrophobicContact CG1-CB 4.01Å; A56-N61 HydrophobicContact CB-CB 4.27Å; A56-N61 WeakPolarHBondContact O-CB 3.43Å; A56-N61 PolarHBondContact O-N 3.05Å; A56-N61 PolarHBondContact O-ND2 2.78Å; A56-N61 VanDerWaalsContact O-ND2 3.13Å; G59-N61 VanDerWaalsContact C-N 3.31Å; G59-N61 VanDerWaalsContact C-ND2 3.34Å; G59-N61 PolarHBondContact O-N 2.83Å; G59-N61 PolarHBondContact O-ND2 2.86Å; G59-N61 VanDerWaalsContact O-ND2 3.1Å
62A97.9Very high95.6Very high24 Ų2441.1 Ų41.120%0.19820%0.203CC..EExtended strand (participates in β ladder)trans-85157.1161.400000109.5G34 I36 L95G34-A62 PolarHBondContact O-N 2.92Å; I36-A62 PolarHBondContact N-O 2.72Å; A62-L95 CarbonylContact C-O 3.54Å; A62-L95 VanDerWaalsContact CA-O 3.28Å; A62-L95 WeakPolarHBondContact CA-O 3.42Å; A62-L95 HydrophobicContact CB-CD2 4.32Å
63M98Very high95.7Very high1 Ų148.9 Ų48.91%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-136.7132.6177.4-172.5-179.866.300111.6I36 S38 N52 A56 V65 I79 L95 L96 Q97I36-M63 HydrophobicContact CB-CB 4.5Å; I36-M63 HydrophobicContact CB-CG 4.35Å; I36-M63 HydrophobicContact CG2-CG 4.4Å; I36-M63 CarbonylContact O-C 3.41Å; I36-M63 VanDerWaalsContact O-CA 3.25Å; I36-M63 WeakPolarHBondContact O-CA 3.08Å; I36-M63 WeakPolarHBondContact O-CG 3.32Å; S38-M63 VanDerWaalsContact CB-SD 3.56Å; N52-M63 HydrophobicContact CB-CE 4.5Å; N52-M63 HydrophobicContact CB-SD 3.75Å; A56-M63 HydrophobicContact CB-CB 4.13Å; A56-M63 HydrophobicContact CB-SD 4.48Å; M63-V65 HydrophobicContact CE-CG2 3.6Å; M63-V65 HydrophobicContact CG-CG2 4.34Å; M63-V65 HydrophobicContact SD-CG2 4.32Å; M63-I79 HydrophobicContact CE-CD1 4.46Å; M63-L95 PolarHBondContact N-O 2.86Å; M63-L96 HydrophobicContact CB-CD2 3.91Å; M63-L96 HydrophobicContact CE-CD2 3.82Å; M63-L96 CarbonylContact O-C 3.58Å; M63-L96 WeakPolarHBondContact O-CA 3.42Å; M63-Q97 PolarHBondContact O-N 3.21Å
64I98.1Very high95.8Very high41 Ų4152.3 Ų52.321%0.2126%0.257CS..EExtended strand (participates in β ladder)trans-112.5126171.3-53.8174.5000108.1V35 I36 S38 Q97 I99 L110V35-I64 HydrophobicContact CG1-CD1 3.91Å; V35-I64 HydrophobicContact CG1-CG1 4.05Å; I36-I64 PolarHBondContact O-N 2.92Å; S38-I64 PolarHBondContact N-O 3.36Å; I64-Q97 CarbonylContact C-O 3.52Å; I64-Q97 HydrophobicContact CG1-CB 4.22Å; I64-Q97 HydrophobicContact CG2-CB 4.35Å; I64-I99 HydrophobicContact CG2-CG1 4.45Å; I64-L110 HydrophobicContact CB-CD1 3.74Å; I64-L110 HydrophobicContact CD1-CD1 4.23Å; I64-L110 HydrophobicContact CG2-CD1 3.69Å; I64-L110 HydrophobicContact CG2-CD2 4.42Å
65V97.6Very high95.9Very high0 Ų049.9 Ų49.90%025%0.245CC..EExtended strand (participates in β ladder)trans-101.1127.8-175.6179.20000111S38 T40 P49 M63 P67 T75 I79 Q97 V98 I99S38-V65 CarbonylContact O-C 3.58Å; S38-V65 VanDerWaalsContact O-CA 3.24Å; S38-V65 WeakPolarHBondContact O-CA 3.45Å; T40-V65 HydrophobicContact CG2-CG1 3.69Å; P49-V65 HydrophobicContact CB-CG1 4.34Å; P49-V65 HydrophobicContact CB-CG2 4.29Å; M63-V65 HydrophobicContact CE-CG2 3.6Å; M63-V65 HydrophobicContact CG-CG2 4.34Å; M63-V65 HydrophobicContact SD-CG2 4.32Å; V65-P67 WeakPolarHBondContact O-CD 3.5Å; V65-T75 HydrophobicContact CG1-CG2 3.88Å; V65-I79 HydrophobicContact CG2-CD1 3.83Å; V65-I79 HydrophobicContact CG2-CG1 4.29Å; V65-Q97 PolarHBondContact N-O 3.22Å; V65-V98 HydrophobicContact CB-CB 4.42Å; V65-V98 HydrophobicContact CB-CG2 4.3Å; V65-V98 HydrophobicContact CG1-CG2 4.45Å; V65-V98 CarbonylContact O-C 3.44Å; V65-V98 WeakPolarHBondContact O-CA 3.33Å; V65-I99 PolarHBondContact O-N 2.95Å
66S97Very high96Very high0 Ų050.2 Ų50.20%024%0.244CC..EExtended strand (participates in β ladder)trans-101.2106164.8-172.10000109.6S38 V39 T40 S107S38-S66 PolarHBondContact O-N 2.81Å; V39-S66 WeakPolarHBondContact CA-O 3.13Å; T40-S66 PolarHBondContact N-O 2.77Å; S66-S107 PolarHBondContact OG-OG 3.36Å
67P96.3Very high96.1Very high3 Ų355.5 Ų55.52%0.01927%0.269CS..  trans-74.1154.817922.9-25.6000113.2T40 V65 K72 T75 V98 I99 P102T40-P67 WeakPolarHBondContact OG1-CA 3.22Å; V65-P67 WeakPolarHBondContact O-CD 3.5Å; P67-K72 HydrophobicContact CB-CB 4.28Å; P67-K72 HydrophobicContact CG-CB 4.08Å; P67-T75 HydrophobicContact CB-CG2 3.91Å; P67-V98 HydrophobicContact CG-CG2 4.04Å; P67-I99 WeakPolarHBondContact CD-O 3.16Å; P67-I99 WeakPolarHBondContact CG-O 3.3Å; P67-P102 HydrophobicContact CG-CB 4.21Å; P67-P102 HydrophobicContact CG-CG 3.93Å; P67-P102 WeakPolarHBondContact O-CB 3.39Å; P67-P102 VanDerWaalsContact O-CG 3.22Å; P67-P102 WeakPolarHBondContact O-CG 3.3Å
68H93.5Very high96.1Very high69 Ų6954.4 Ų54.432%0.31926%0.263SS..  trans-63.7138163.3-172.2-87.4000110.5T40 R70 S71 K72T40-H68 PolarHBondContact O-N 3.14Å; H68-R70 VanDerWaalsContact C-N 3.26Å; H68-R70 PolarHBondContact ND1-N 3.09Å; H68-R70 VanDerWaalsContact ND1-N 3.17Å; H68-R70 PolarHBondContact O-N 3.03Å; H68-R70 VanDerWaalsContact O-N 3.11Å; H68-S71 CarbonylContact O-C 3.55Å; H68-S71 PolarHBondContact O-N 2.86Å; H68-S71 PolarHBondContact O-OG 3.26Å; H68-K72 PolarHBondContact O-N 3.16Å; H68-K72 VanDerWaalsContact O-N 3.09Å
69P93.1Very high96.3Very high76 Ų7651.5 Ų51.549%0.49425%0.251SS..G310 helixtrans-54.2-36.4-176.6-30.135.5000115S71 K72 P102P69-S71 VanDerWaalsContact C-N 3.31Å; P69-S71 PolarHBondContact O-N 3.15Å; P69-K72 WeakPolarHBondContact O-CG 3.46Å; P69-P102 HydrophobicContact CG-CG 4.29Å
70R92.7Very high96.4Very high193 Ų19352 Ų5273%0.72825%0.247SC*.G310 helixtrans-68.2-24177.4-68.2177.567-179.3-0.4114H68H68-R70 VanDerWaalsContact C-N 3.26Å; H68-R70 PolarHBondContact ND1-N 3.09Å; H68-R70 VanDerWaalsContact ND1-N 3.17Å; H68-R70 PolarHBondContact O-N 3.03Å; H68-R70 VanDerWaalsContact O-N 3.11Å
71S94.5Very high96.5Very high6 Ų650.2 Ų50.24%0.04224%0.244CC..G310 helixtrans-118.411.6-174.464.30000113.7P45 H68 P69 K73 T74 T75P45-S71 VanDerWaalsContact CB-CB 3.46Å; H68-S71 CarbonylContact O-C 3.55Å; H68-S71 PolarHBondContact O-N 2.86Å; H68-S71 PolarHBondContact O-OG 3.26Å; P69-S71 VanDerWaalsContact C-N 3.31Å; P69-S71 PolarHBondContact O-N 3.15Å; S71-K73 VanDerWaalsContact C-N 3.29Å; S71-K73 PolarHBondContact O-N 3.15Å; S71-T74 PolarHBondContact O-N 3.37Å; S71-T75 PolarHBondContact O-N 3.1Å; S71-T75 PolarHBondContact O-OG1 3.13Å
72K96.1Very high96.5Very high54 Ų5450.6 Ų50.624%0.23525%0.245CC..Hα-helixtrans-53.1-40.7-176.665.7178.9175.8162.80114.2P67 H68 P69 K76 E101 P102P67-K72 HydrophobicContact CB-CB 4.28Å; P67-K72 HydrophobicContact CG-CB 4.08Å; H68-K72 PolarHBondContact O-N 3.16Å; H68-K72 VanDerWaalsContact O-N 3.09Å; P69-K72 WeakPolarHBondContact O-CG 3.46Å; K72-K76 WeakPolarHBondContact O-CB 3.44Å; K72-K76 PolarHBondContact O-N 3.43Å; K72-E101 IonicContact NZ-OE1 2.68Å; K72-E101 PolarHBondContact NZ-OE1 2.95Å; K72-E101 IonicContact NZ-OE2 3.46Å; K72-E101 PolarHBondContact NZ-OE2 3.13Å; K72-P102 HydrophobicContact CB-CG 4.17Å
73K97.1Very high96.5Very high172 Ų17250.7 Ų50.775%0.74824%0.24SC*.Hα-helixtrans-66.3-49.6-180-65.4-176.6179.8179.80111.7S71 K76 E77S71-K73 VanDerWaalsContact C-N 3.29Å; S71-K73 PolarHBondContact O-N 3.15Å; K73-K76 PolarHBondContact O-N 3.34Å; K73-E77 PolarHBondContact O-N 3.45Å
74T97.1Very high96.5Very high71 Ų7156.5 Ų56.544%0.43627%0.268SS..Hα-helixtrans-64.5-41.2180-49.50000111.8P45 T46 S71 T78P45-T74 HydrophobicContact CG-CG2 4.31Å; T46-T74 HydrophobicContact CG2-CG2 3.51Å; S71-T74 PolarHBondContact O-N 3.37Å; T74-T78 PolarHBondContact O-N 2.87Å; T74-T78 VanDerWaalsContact O-N 3.09Å; T74-T78 PolarHBondContact O-OG1 2.83Å
75T97.1Very high96.4Very high0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-65.9-44.6176.8-47.20000110.8P45 P49 V65 P67 S71 T78 I79P45-T75 PolarHBondContact O-OG1 2.85Å; P49-T75 HydrophobicContact CB-CG2 4.3Å; P49-T75 HydrophobicContact CG-CG2 3.89Å; V65-T75 HydrophobicContact CG1-CG2 3.88Å; P67-T75 HydrophobicContact CB-CG2 3.91Å; S71-T75 PolarHBondContact O-N 3.1Å; S71-T75 PolarHBondContact O-OG1 3.13Å; T75-T78 WeakPolarHBondContact O-CB 3.24Å; T75-T78 PolarHBondContact O-N 3.34Å; T75-I79 PolarHBondContact O-N 3.34Å
76K97.1Very high96.3Very high68 Ų6857.9 Ų57.930%0.29628%0.282SS..Hα-helixtrans-57.8-49.7176.5178.8-179.8-179.9177.30111.4K72 K73 T78 I79 E80 V98 E100K72-K76 WeakPolarHBondContact O-CB 3.44Å; K72-K76 PolarHBondContact O-N 3.43Å; K73-K76 PolarHBondContact O-N 3.34Å; K76-T78 VanDerWaalsContact C-N 3.28Å; K76-T78 PolarHBondContact O-N 3.16Å; K76-I79 PolarHBondContact O-N 3.33Å; K76-I79 VanDerWaalsContact O-N 3.12Å; K76-E80 PolarHBondContact O-N 3Å; K76-V98 HydrophobicContact CB-CG1 4.39Å; K76-V98 HydrophobicContact CG-CG1 4.12Å; K76-E100 HydrophobicContact CD-CG 4.23Å; K76-E100 VanDerWaalsContact CE-OE1 3.28Å; K76-E100 WeakPolarHBondContact CE-OE1 3.39Å; K76-E100 IonicContact NZ-OE1 2.65Å; K76-E100 PolarHBondContact NZ-OE1 3.12Å; K76-E100 IonicContact NZ-OE2 3.31Å; K76-E100 PolarHBondContact NZ-OE2 3.38Å
77E97.5Very high96.3Very high116 Ų11661.9 Ų61.954%0.54231%0.307SS..Hα-helixtrans-57.5-43.2178.1-174.366-175.900111.7K73 I79 E80 L81K73-E77 PolarHBondContact O-N 3.45Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 3.45Å; E77-E80 PolarHBondContact O-N 3.22Å; E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 2.83Å
78T96.9Very high96.4Very high20 Ų2066.4 Ų66.412%0.12334%0.338CS..Hα-helixtrans-59.3-45.1176.5-55.40000111.5T46 P49 L50 T74 T75 K76 L81 M82T46-T78 WeakPolarHBondContact CG2-OG1 3.33Å; P49-T78 HydrophobicContact CG-CG2 4.37Å; L50-T78 HydrophobicContact CB-CG2 4.37Å; T74-T78 PolarHBondContact O-N 2.87Å; T74-T78 VanDerWaalsContact O-N 3.09Å; T74-T78 PolarHBondContact O-OG1 2.83Å; T75-T78 WeakPolarHBondContact O-CB 3.24Å; T75-T78 PolarHBondContact O-N 3.34Å; K76-T78 VanDerWaalsContact C-N 3.28Å; K76-T78 PolarHBondContact O-N 3.16Å; T78-L81 PolarHBondContact O-N 3.09Å; T78-M82 HydrophobicContact CG2-SD 4.48Å; T78-M82 WeakPolarHBondContact O-CG 3.31Å; T78-M82 PolarHBondContact O-N 3.12Å; T78-M82 VanDerWaalsContact O-N 3.09Å
79I97.6Very high96.5Very high0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-67.4-37.6178.2-69-66.3000111.7P49 M63 V65 T75 K76 E77 M82 R83 L96 V98P49-I79 HydrophobicContact CB-CD1 3.96Å; P49-I79 HydrophobicContact CB-CG1 4.37Å; M63-I79 HydrophobicContact CE-CD1 4.46Å; V65-I79 HydrophobicContact CG2-CD1 3.83Å; V65-I79 HydrophobicContact CG2-CG1 4.29Å; T75-I79 PolarHBondContact O-N 3.34Å; K76-I79 PolarHBondContact O-N 3.33Å; K76-I79 VanDerWaalsContact O-N 3.12Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 3.45Å; I79-M82 HydrophobicContact CD1-SD 4.05Å; I79-M82 PolarHBondContact O-N 3.08Å; I79-R83 HydrophobicContact CG2-CG 4.3Å; I79-R83 WeakPolarHBondContact O-CB 3.39Å; I79-R83 VanDerWaalsContact O-CG 3.23Å; I79-R83 WeakPolarHBondContact O-CG 3.11Å; I79-R83 PolarHBondContact O-N 2.83Å; I79-L96 HydrophobicContact CG2-CB 4.43Å; I79-V98 HydrophobicContact CB-CB 4.23Å; I79-V98 HydrophobicContact CB-CG1 4.25Å; I79-V98 HydrophobicContact CG1-CB 4.23Å; I79-V98 HydrophobicContact CG2-CB 4.06Å; I79-V98 HydrophobicContact CG2-CG1 4Å
80E97.6Very high96.6Very high31 Ų3167.8 Ų67.815%0.14537%0.365CS..Hα-helixtrans-64.1-41.7174.7-70.7-52.1137.500112.2K76 E77 M82 R83 E84 R93K76-E80 PolarHBondContact O-N 3Å; E77-E80 PolarHBondContact O-N 3.22Å; E80-M82 VanDerWaalsContact C-N 3.3Å; E80-M82 PolarHBondContact O-N 3.46Å; E80-R83 WeakPolarHBondContact O-CB 3.22Å; E80-R83 PolarHBondContact O-N 3.03Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-R83 WeakPolarHBondContact OE1-CD 3.2Å; E80-R83 IonicContact OE1-CZ 3.99Å; E80-R83 IonicContact OE1-NE 2.95Å; E80-R83 IonicContact OE1-NH1 2.71Å; E80-R83 PolarHBondContact OE1-NH1 3.25Å; E80-R83 WeakPolarHBondContact OE2-CD 3.37Å; E80-R83 IonicContact OE2-NH1 3.65Å; E80-E84 WeakPolarHBondContact O-CG 3.21Å; E80-E84 PolarHBondContact O-N 3.47Å; E80-R93 IonicContact OE2-NH2 2.79Å; E80-R93 PolarHBondContact OE2-NH2 3.47Å
81L97.1Very high96.6Very high96 Ų9661 Ų6150%0.50335%0.345SS..Hα-helixtrans-60.5-39.5173-69.2171.3000112E77 T78 E84 A85E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 2.83Å; T78-L81 PolarHBondContact O-N 3.09Å; L81-E84 PolarHBondContact O-N 3.22Å; L81-A85 PolarHBondContact O-N 3.39Å
82M96.7Very high96.6Very high21 Ų2164.6 Ų64.610%0.10337%0.368CS..Hα-helixtrans-67-38.8174.4-65.5174.977.700112L50 T78 I79 E80 A85 L86 L96L50-M82 HydrophobicContact CB-SD 4.3Å; L50-M82 HydrophobicContact CD1-CE 3.83Å; L50-M82 HydrophobicContact CD1-CG 3.88Å; L50-M82 HydrophobicContact CD1-SD 3.71Å; T78-M82 HydrophobicContact CG2-SD 4.48Å; T78-M82 WeakPolarHBondContact O-CG 3.31Å; T78-M82 PolarHBondContact O-N 3.12Å; T78-M82 VanDerWaalsContact O-N 3.09Å; I79-M82 HydrophobicContact CD1-SD 4.05Å; I79-M82 PolarHBondContact O-N 3.08Å; E80-M82 VanDerWaalsContact C-N 3.3Å; E80-M82 PolarHBondContact O-N 3.46Å; M82-A85 WeakPolarHBondContact O-CB 3.33Å; M82-A85 PolarHBondContact O-N 3.32Å; M82-L86 WeakPolarHBondContact O-CG 3.5Å; M82-L86 PolarHBondContact O-N 2.91Å; M82-L96 HydrophobicContact CB-CD1 3.58Å; M82-L96 HydrophobicContact CE-CD1 3.69Å; M82-L96 HydrophobicContact CG-CD1 4.47Å; M82-L96 HydrophobicContact SD-CD1 4.24Å
83R97.6Very high96.7Very high27 Ų2767.2 Ų67.210%0.10238%0.377CS..Hα-helixtrans-61.9-44.2174.6-75.8168.7157.6-162.2-12.8111.5I79 E80 A85 L86 V87 R93 L96 Q97I79-R83 HydrophobicContact CG2-CG 4.3Å; I79-R83 WeakPolarHBondContact O-CB 3.39Å; I79-R83 VanDerWaalsContact O-CG 3.23Å; I79-R83 WeakPolarHBondContact O-CG 3.11Å; I79-R83 PolarHBondContact O-N 2.83Å; E80-R83 WeakPolarHBondContact O-CB 3.22Å; E80-R83 PolarHBondContact O-N 3.03Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-R83 WeakPolarHBondContact OE1-CD 3.2Å; E80-R83 IonicContact OE1-CZ 3.99Å; E80-R83 IonicContact OE1-NE 2.95Å; E80-R83 IonicContact OE1-NH1 2.71Å; E80-R83 PolarHBondContact OE1-NH1 3.25Å; E80-R83 WeakPolarHBondContact OE2-CD 3.37Å; E80-R83 IonicContact OE2-NH1 3.65Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.87Å; R83-L86 WeakPolarHBondContact O-CB 3.45Å; R83-L86 PolarHBondContact O-N 3.27Å; R83-V87 WeakPolarHBondContact O-CG2 3.24Å; R83-V87 PolarHBondContact O-N 2.86Å; R83-R93 HydrophobicContact CB-CB 4.17Å; R83-R93 HydrophobicContact CG-CB 4.36Å; R83-L96 HydrophobicContact CG-CB 4.41Å; R83-L96 VanDerWaalsContact CZ-O 3.24Å; R83-L96 PolarHBondContact NE-O 2.85Å; R83-L96 PolarHBondContact NH2-O 2.9Å; R83-Q97 VanDerWaalsContact NH2-CA 3.3Å
84E97.5Very high96.6Very high123 Ų12363.6 Ų63.658%0.57537%0.365SS*.Hα-helixtrans-60.3-43174.3-71.9177.5-179.300111.4E80 L81 L86 V87 S88E80-E84 WeakPolarHBondContact O-CG 3.21Å; E80-E84 PolarHBondContact O-N 3.47Å; L81-E84 PolarHBondContact O-N 3.22Å; E84-L86 PolarHBondContact O-N 2.94Å; E84-V87 PolarHBondContact O-N 3.17Å; E84-S88 PolarHBondContact O-N 3.37Å
85A96.3Very high96.6Very high53 Ų5362.7 Ų62.744%0.43836%0.357SS..Hα-helixtrans-61.5-41.217500000112.2L81 M82 R83 S88L81-A85 PolarHBondContact O-N 3.39Å; M82-A85 WeakPolarHBondContact O-CB 3.33Å; M82-A85 PolarHBondContact O-N 3.32Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.87Å; A85-S88 PolarHBondContact O-N 3.09Å; A85-S88 PolarHBondContact O-OG 2.79Å
86L96.9Very high96.6Very high16 Ų1662.7 Ų62.78%0.08436%0.357CS..Hα-helixtrans-61.5-44.9174.6-72.2174.8000112.4L57 M82 R83 E84 S88 V89 G90 T91 L95 L96L57-L86 HydrophobicContact CD1-CD1 4.48Å; L57-L86 HydrophobicContact CD1-CD2 3.86Å; L57-L86 HydrophobicContact CD2-CD1 4.44Å; L57-L86 HydrophobicContact CD2-CD2 4.16Å; M82-L86 WeakPolarHBondContact O-CG 3.5Å; M82-L86 PolarHBondContact O-N 2.91Å; R83-L86 WeakPolarHBondContact O-CB 3.45Å; R83-L86 PolarHBondContact O-N 3.27Å; E84-L86 PolarHBondContact O-N 2.94Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.13Å; L86-V89 VanDerWaalsContact O-CG2 3.23Å; L86-V89 WeakPolarHBondContact O-CG2 3.31Å; L86-V89 PolarHBondContact O-N 3.39Å; L86-G90 PolarHBondContact O-N 2.61Å; L86-T91 CarbonylContact C-O 3.54Å; L86-T91 HydrophobicContact CD2-CG2 3.93Å; L86-T91 WeakPolarHBondContact O-CB 3.35Å; L86-T91 PolarHBondContact O-N 3.37Å; L86-L95 HydrophobicContact CD1-CB 4.25Å; L86-L96 HydrophobicContact CD1-CB 4.4Å; L86-L96 HydrophobicContact CD1-CD1 3.77Å; L86-L96 HydrophobicContact CD1-CG 3.86Å
87V97.1Very high96.6Very high84 Ų8463.2 Ų63.251%0.50936%0.361SS..Hα-helixtrans-62.1-39.5177.8173.40000110.9R83 E84 V89 G90 R93R83-V87 WeakPolarHBondContact O-CG2 3.24Å; R83-V87 PolarHBondContact O-N 2.86Å; E84-V87 PolarHBondContact O-N 3.17Å; V87-V89 PolarHBondContact O-N 3.23Å; V87-V89 VanDerWaalsContact O-N 3.12Å; V87-G90 PolarHBondContact O-N 2.8Å; V87-R93 HydrophobicContact CG2-CB 3.76Å
88S97.1Very high96.6Very high98 Ų9858.5 Ų58.569%0.68534%0.34SS*.Hα-helixtrans-60.8-22.3-179.981.40000113.9E84 A85 L86E84-S88 PolarHBondContact O-N 3.37Å; A85-S88 PolarHBondContact O-N 3.09Å; A85-S88 PolarHBondContact O-OG 2.79Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.13Å
89V95.6Very high96.6Very high102 Ų10259.1 Ų59.162%0.61834%0.342SS*.THydrogen-bonded Turntrans-108.715.7177.5-59.60000113L86 V87 T91L86-V89 VanDerWaalsContact O-CG2 3.23Å; L86-V89 WeakPolarHBondContact O-CG2 3.31Å; L86-V89 PolarHBondContact O-N 3.39Å; V87-V89 PolarHBondContact O-N 3.23Å; V87-V89 VanDerWaalsContact O-N 3.12Å; V89-T91 VanDerWaalsContact C-N 3.35Å; V89-T91 PolarHBondContact O-N 2.73Å
90G95.2Very high96.5Very high73 Ų7363.9 Ų63.975%0.75336%0.364SS*.THydrogen-bonded Turntrans73.421.2175.300000114.9L86 V87L86-G90 PolarHBondContact O-N 2.61Å; V87-G90 PolarHBondContact O-N 2.8Å
91T93.2Very high96.4Very high49 Ų4968.2 Ų68.230%0.30139%0.385SS..  trans-101.1146.5179.2-60.20000110.6L86 V89 R93 L95L86-T91 CarbonylContact C-O 3.54Å; L86-T91 HydrophobicContact CD2-CG2 3.93Å; L86-T91 WeakPolarHBondContact O-CB 3.35Å; L86-T91 PolarHBondContact O-N 3.37Å; V89-T91 VanDerWaalsContact C-N 3.35Å; V89-T91 PolarHBondContact O-N 2.73Å; T91-R93 PolarHBondContact O-N 3.47Å; T91-L95 HydrophobicContact CG2-CD1 3.33Å; T91-L95 HydrophobicContact CG2-CG 4.42Å
92P95.2Very high96.2Very high83 Ų8364.5 Ų64.554%0.53937%0.366SS..  trans-59.3128.8178.3-23.834.1000112.1D94 L95P92-D94 PolarHBondContact O-N 3.41Å; P92-L95 HydrophobicContact CB-CG 4.39Å; P92-L95 WeakPolarHBondContact O-CG 3.46Å; P92-L95 PolarHBondContact O-N 2.96Å
93R96.4Very high95.9Very high109 Ų10965.4 Ų65.441%0.41138%0.375SS..G310 helixtrans-60.8-31.7177.373-177.4-65.5170.61.8112.5E80 R83 V87 T91 L95 L96E80-R93 IonicContact OE2-NH2 2.79Å; E80-R93 PolarHBondContact OE2-NH2 3.47Å; R83-R93 HydrophobicContact CB-CB 4.17Å; R83-R93 HydrophobicContact CG-CB 4.36Å; V87-R93 HydrophobicContact CG2-CB 3.76Å; T91-R93 PolarHBondContact O-N 3.47Å; R93-L95 PolarHBondContact O-N 3.06Å; R93-L95 VanDerWaalsContact O-N 3.16Å; R93-L96 PolarHBondContact O-N 3.28Å; R93-L96 VanDerWaalsContact O-O 3.13Å
94D95.5Very high95.4Very high95 Ų9569.8 Ų69.851%0.50840%0.399SS..G310 helixtrans-74.9-1.5-173.9-56.4-44.6000114P92 L96 Q97P92-D94 PolarHBondContact O-N 3.41Å; D94-L96 PolarHBondContact O-N 2.81Å; D94-Q97 WeakPolarHBondContact O-CG 3.32Å; D94-Q97 PolarHBondContact O-NE2 3.09Å; D94-Q97 VanDerWaalsContact O-NE2 3.08Å
95L97.1Very high95.1Very high52 Ų5270 Ų7027%0.27240%0.4SS..G310 helixtrans-61.2-23.8166.1-69.9-175.8000112.1L57 A62 M63 L86 T91 P92 R93L57-L95 HydrophobicContact CD2-CB 3.96Å; L57-L95 HydrophobicContact CD2-CD1 3.91Å; A62-L95 CarbonylContact C-O 3.54Å; A62-L95 VanDerWaalsContact CA-O 3.28Å; A62-L95 WeakPolarHBondContact CA-O 3.42Å; A62-L95 HydrophobicContact CB-CD2 4.32Å; M63-L95 PolarHBondContact N-O 2.86Å; L86-L95 HydrophobicContact CD1-CB 4.25Å; T91-L95 HydrophobicContact CG2-CD1 3.33Å; T91-L95 HydrophobicContact CG2-CG 4.42Å; P92-L95 HydrophobicContact CB-CG 4.39Å; P92-L95 WeakPolarHBondContact O-CG 3.46Å; P92-L95 PolarHBondContact O-N 2.96Å; R93-L95 PolarHBondContact O-N 3.06Å; R93-L95 VanDerWaalsContact O-N 3.16Å
96L97.8Very high94.9Very high0 Ų071.2 Ų71.20%040%0.399CS..EExtended strand (participates in β ladder)trans-119.3129.8171.4-63177.3000108.7L57 M63 I79 M82 R83 L86 R93 D94L57-L96 HydrophobicContact CD1-CD1 4.07Å; L57-L96 HydrophobicContact CD1-CD2 4.47Å; L57-L96 HydrophobicContact CD1-CG 4.42Å; L57-L96 HydrophobicContact CG-CD2 4.37Å; M63-L96 HydrophobicContact CB-CD2 3.91Å; M63-L96 HydrophobicContact CE-CD2 3.82Å; M63-L96 CarbonylContact O-C 3.58Å; M63-L96 WeakPolarHBondContact O-CA 3.42Å; I79-L96 HydrophobicContact CG2-CB 4.43Å; M82-L96 HydrophobicContact CB-CD1 3.58Å; M82-L96 HydrophobicContact CE-CD1 3.69Å; M82-L96 HydrophobicContact CG-CD1 4.47Å; M82-L96 HydrophobicContact SD-CD1 4.24Å; R83-L96 HydrophobicContact CG-CB 4.41Å; R83-L96 VanDerWaalsContact CZ-O 3.24Å; R83-L96 PolarHBondContact NE-O 2.85Å; R83-L96 PolarHBondContact NH2-O 2.9Å; L86-L96 HydrophobicContact CD1-CB 4.4Å; L86-L96 HydrophobicContact CD1-CD1 3.77Å; L86-L96 HydrophobicContact CD1-CG 3.86Å; R93-L96 PolarHBondContact O-N 3.28Å; R93-L96 VanDerWaalsContact O-O 3.13Å; D94-L96 PolarHBondContact O-N 2.81Å
97Q97.5Very high94.6Very high80 Ų8071.2 Ų71.237%0.37440%0.4SS..EExtended strand (participates in β ladder)trans-135159.8176.9-48-174.837.300111.3M63 I64 V65 R83 D94M63-Q97 PolarHBondContact O-N 3.21Å; I64-Q97 CarbonylContact C-O 3.52Å; I64-Q97 HydrophobicContact CG1-CB 4.22Å; I64-Q97 HydrophobicContact CG2-CB 4.35Å; V65-Q97 PolarHBondContact N-O 3.22Å; R83-Q97 VanDerWaalsContact NH2-CA 3.3Å; D94-Q97 WeakPolarHBondContact O-CG 3.32Å; D94-Q97 PolarHBondContact O-NE2 3.09Å; D94-Q97 VanDerWaalsContact O-NE2 3.08Å
98V97.4Very high94.2Very high17 Ų1771 Ų7110%0.10339%0.393CS..EExtended strand (participates in β ladder)trans-140.3135.9-179.961.90000109.8V65 P67 K76 I79 E100V65-V98 HydrophobicContact CB-CB 4.42Å; V65-V98 HydrophobicContact CB-CG2 4.3Å; V65-V98 HydrophobicContact CG1-CG2 4.45Å; V65-V98 CarbonylContact O-C 3.44Å; V65-V98 WeakPolarHBondContact O-CA 3.33Å; P67-V98 HydrophobicContact CG-CG2 4.04Å; K76-V98 HydrophobicContact CB-CG1 4.39Å; K76-V98 HydrophobicContact CG-CG1 4.12Å; I79-V98 HydrophobicContact CB-CB 4.23Å; I79-V98 HydrophobicContact CB-CG1 4.25Å; I79-V98 HydrophobicContact CG1-CB 4.23Å; I79-V98 HydrophobicContact CG2-CB 4.06Å; I79-V98 HydrophobicContact CG2-CG1 4Å; V98-E100 PolarHBondContact O-N 2.87Å
99I96.8Very high94Very high32 Ų3271.4 Ų71.416%0.16438%0.384CS..  trans-75.5109.5170.4-58.3177.9000107.3I64 V65 P67 E101 P102 L106 L110I64-I99 HydrophobicContact CG2-CG1 4.45Å; V65-I99 PolarHBondContact O-N 2.95Å; P67-I99 WeakPolarHBondContact CD-O 3.16Å; P67-I99 WeakPolarHBondContact CG-O 3.3Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 3.36Å; I99-P102 HydrophobicContact CG2-CB 4.5Å; I99-L106 HydrophobicContact CD1-CB 4.4Å; I99-L106 HydrophobicContact CG2-CD1 3.99Å; I99-L110 HydrophobicContact CD1-CB 4.29Å; I99-L110 HydrophobicContact CD1-CD2 4.15Å
100E94.7Very high93.9Very high100 Ų10067.1 Ų67.147%0.46736%0.358SS..SBendtrans-67.9-35.8-174.2-56.7-162.6171.600112.9K76 V98 P102K76-E100 HydrophobicContact CD-CG 4.23Å; K76-E100 VanDerWaalsContact CE-OE1 3.28Å; K76-E100 WeakPolarHBondContact CE-OE1 3.39Å; K76-E100 IonicContact NZ-OE1 2.65Å; K76-E100 PolarHBondContact NZ-OE1 3.12Å; K76-E100 IonicContact NZ-OE2 3.31Å; K76-E100 PolarHBondContact NZ-OE2 3.38Å; V98-E100 PolarHBondContact O-N 2.87Å; E100-P102 WeakPolarHBondContact O-CD 3.22Å
101E95.8Very high93.8Very high123 Ų12363.8 Ų63.858%0.57532%0.323SS*.SBendtrans-12079.7179.7-69.8-60145.500109.4K72 I99 L106K72-E101 IonicContact NZ-OE1 2.68Å; K72-E101 PolarHBondContact NZ-OE1 2.95Å; K72-E101 IonicContact NZ-OE2 3.46Å; K72-E101 PolarHBondContact NZ-OE2 3.13Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 3.36Å; E101-L106 WeakPolarHBondContact O-CD1 3.3Å
102P93.3Very high93.5Very high17 Ų1767.1 Ų67.111%0.1133%0.333CS..  trans-69.1137.8-175.330.6-38.3000111.6P67 P69 K72 I99 E100P67-P102 HydrophobicContact CG-CB 4.21Å; P67-P102 HydrophobicContact CG-CG 3.93Å; P67-P102 WeakPolarHBondContact O-CB 3.39Å; P67-P102 VanDerWaalsContact O-CG 3.22Å; P67-P102 WeakPolarHBondContact O-CG 3.3Å; P69-P102 HydrophobicContact CG-CG 4.29Å; K72-P102 HydrophobicContact CB-CG 4.17Å; I99-P102 HydrophobicContact CG2-CB 4.5Å; E100-P102 WeakPolarHBondContact O-CD 3.22Å
103S91Very high93.4Very high40 Ų4066.8 Ų66.828%0.2833%0.333SS..  trans-131.2169.8167.9870000110.3E105 L106 S107S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 WeakPolarHBondContact CB-OE2 3.24Å; S103-E105 PolarHBondContact OG-N 3.15Å; S103-E105 PolarHBondContact OG-OE2 3.07Å; S103-L106 PolarHBondContact OG-N 2.95Å; S103-L106 VanDerWaalsContact OG-N 3.09Å; S103-S107 WeakPolarHBondContact O-CB 3.41Å; S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.34Å
104I87.1Confident93.4Very high120 Ų12061.8 Ų61.862%0.61531%0.314SS*.Hα-helixtrans-62.7-44.3174.9-66.3175.2000109.3S107 Q108I104-S107 PolarHBondContact O-N 3.17Å; I104-Q108 HydrophobicContact CG2-CG 4.48Å; I104-Q108 WeakPolarHBondContact O-CG 3.39Å; I104-Q108 PolarHBondContact O-N 3.07Å
105E89.5Confident93.4Very high126 Ų12661.1 Ų61.159%0.58931%0.311SS*.Hα-helixtrans-61.1-47.3-179.8-56.172.5-157.500111S103 S107 Q108 E109S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 WeakPolarHBondContact CB-OE2 3.24Å; S103-E105 PolarHBondContact OG-N 3.15Å; S103-E105 PolarHBondContact OG-OE2 3.07Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 2.92Å; E105-Q108 PolarHBondContact O-N 3.1Å; E105-E109 WeakPolarHBondContact O-CB 3.34Å; E105-E109 PolarHBondContact O-N 2.98Å
106L93Very high93.3Very high80 Ų8059.1 Ų59.142%0.41930%0.3SS..Hα-helixtrans-66.7-34.3177.6-72.4175.5000112.5I99 E101 S103 E109 L110I99-L106 HydrophobicContact CD1-CB 4.4Å; I99-L106 HydrophobicContact CG2-CD1 3.99Å; E101-L106 WeakPolarHBondContact O-CD1 3.3Å; S103-L106 PolarHBondContact OG-N 2.95Å; S103-L106 VanDerWaalsContact OG-N 3.09Å; L106-E109 PolarHBondContact O-N 2.78Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 PolarHBondContact O-N 3.12Å
107S91.3Very high93.2Very high15 Ų1559.1 Ų59.111%0.10530%0.3CS..Hα-helixtrans-67.6-40.1175.2-59.70000111.3S66 S103 I104 E105 M111S66-S107 PolarHBondContact OG-OG 3.36Å; S103-S107 WeakPolarHBondContact O-CB 3.41Å; S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.34Å; I104-S107 PolarHBondContact O-N 3.17Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 2.92Å; S107-M111 VanDerWaalsContact O-CG 3.23Å; S107-M111 WeakPolarHBondContact O-CG 3.48Å; S107-M111 PolarHBondContact O-N 2.73Å
108Q88.3Confident93.1Very high79 Ų7956.3 Ų56.337%0.36929%0.289SS..Hα-helixtrans-67.4-40.5174.6-72.9175.6-1800112I104 E105 M111 K112I104-Q108 HydrophobicContact CG2-CG 4.48Å; I104-Q108 WeakPolarHBondContact O-CG 3.39Å; I104-Q108 PolarHBondContact O-N 3.07Å; E105-Q108 PolarHBondContact O-N 3.1Å; Q108-M111 PolarHBondContact O-N 2.87Å; Q108-K112 WeakPolarHBondContact O-CG 2.94Å; Q108-K112 PolarHBondContact O-N 2.95Å; Q108-K112 VanDerWaalsContact O-N 3.09Å
109E92.4Very high92.9Very high107 Ų10755.5 Ų55.550%0.528%0.284SS..Hα-helixtrans-63.5-43.7175.7-172.959.6-160.700111.3E105 L106 M111 K112 S113E105-E109 WeakPolarHBondContact O-CB 3.34Å; E105-E109 PolarHBondContact O-N 2.98Å; L106-E109 PolarHBondContact O-N 2.78Å; E109-M111 VanDerWaalsContact C-N 3.33Å; E109-M111 PolarHBondContact O-N 3.19Å; E109-K112 PolarHBondContact O-N 3.08Å; E109-S113 VanDerWaalsContact O-CB 3.31Å; E109-S113 WeakPolarHBondContact O-CB 3.26Å; E109-S113 PolarHBondContact O-N 3.4Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 2.7Å
110L94.6Very high92.7Very high13 Ų1354.5 Ų54.57%0.06828%0.279CS..Hα-helixtrans-55.7-49.3172.4173.664.7000110.8I64 I99 L106 K112 S113 V114I64-L110 HydrophobicContact CB-CD1 3.74Å; I64-L110 HydrophobicContact CD1-CD1 4.23Å; I64-L110 HydrophobicContact CG2-CD1 3.69Å; I64-L110 HydrophobicContact CG2-CD2 4.42Å; I99-L110 HydrophobicContact CD1-CB 4.29Å; I99-L110 HydrophobicContact CD1-CD2 4.15Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 PolarHBondContact O-N 3.12Å; L110-K112 PolarHBondContact O-N 3.13Å; L110-S113 PolarHBondContact O-N 2.84Å; L110-V114 HydrophobicContact CD1-CG1 3.58Å; L110-V114 HydrophobicContact CG-CG1 4.38Å; L110-V114 WeakPolarHBondContact O-CG1 3.35Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.2Å
111M91.5Very high92.4Very high2 Ų250.6 Ų50.61%0.0127%0.266CS..Hα-helixtrans-59.1-34.6-179.8-72.5173.9-171.500112.9V39 S107 Q108 E109 S113 I117 L125 A129V39-M111 HydrophobicContact CG2-CE 3.7Å; S107-M111 VanDerWaalsContact O-CG 3.23Å; S107-M111 WeakPolarHBondContact O-CG 3.48Å; S107-M111 PolarHBondContact O-N 2.73Å; Q108-M111 PolarHBondContact O-N 2.87Å; E109-M111 VanDerWaalsContact C-N 3.33Å; E109-M111 PolarHBondContact O-N 3.19Å; M111-S113 VanDerWaalsContact C-N 3.34Å; M111-I117 HydrophobicContact CB-CD1 3.64Å; M111-I117 HydrophobicContact CB-CG1 4.29Å; M111-I117 HydrophobicContact CG-CD1 3.85Å; M111-I117 HydrophobicContact CG-CG1 4.28Å; M111-I117 HydrophobicContact CG-CG2 4.19Å; M111-I117 WeakPolarHBondContact O-CD1 3.42Å; M111-L125 HydrophobicContact CE-CD1 3.46Å; M111-L125 VanDerWaalsContact CE-CD1 3.46Å; M111-L125 HydrophobicContact CE-CG 4.1Å; M111-A129 HydrophobicContact CE-CB 4.2Å; M111-A129 HydrophobicContact SD-CB 4.12Å
112K88.3Confident91.8Very high119 Ų11946.9 Ų46.952%0.51726%0.26SS..Hα-helixtrans-80.5-12.1177.8-66.6171.6-175.6177.60114.1Q108 E109 L110 H134Q108-K112 WeakPolarHBondContact O-CG 2.94Å; Q108-K112 PolarHBondContact O-N 2.95Å; Q108-K112 VanDerWaalsContact O-N 3.09Å; E109-K112 PolarHBondContact O-N 3.08Å; L110-K112 PolarHBondContact O-N 3.13Å; K112-H134 PolarHBondContact O-NE2 3.12Å; K112-H134 VanDerWaalsContact O-NE2 3.15Å
113S93.1Very high91.2Very high77 Ų7750.3 Ų50.354%0.53828%0.283SS..SBendtrans-109.42.1-170.4-60.60000114.2E109 L110 M111E109-S113 VanDerWaalsContact O-CB 3.31Å; E109-S113 WeakPolarHBondContact O-CB 3.26Å; E109-S113 PolarHBondContact O-N 3.4Å; E109-S113 VanDerWaalsContact O-N 3.12Å; E109-S113 PolarHBondContact O-OG 2.7Å; L110-S113 PolarHBondContact O-N 2.84Å; M111-S113 VanDerWaalsContact C-N 3.34Å
114V95Very high90.6Very high3 Ų351.2 Ų51.22%0.01830%0.299CS..SBendtrans-119.1160.3-172.6-65.20000112.1V35 L110 I117 H134V35-V114 HydrophobicContact CG1-CG1 3.96Å; L110-V114 HydrophobicContact CD1-CG1 3.58Å; L110-V114 HydrophobicContact CG-CG1 4.38Å; L110-V114 WeakPolarHBondContact O-CG1 3.35Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.2Å; V114-I117 HydrophobicContact CG2-CG1 3.73Å; V114-H134 PolarHBondContact O-CE1 3.12Å; V114-H134 PolarHBondContact O-ND1 3.43Å
115D95.4Very high90.6Very high81 Ų8147.7 Ų47.743%0.43328%0.281SS..SBendtrans-80.6-24-178.8-57-65.8000112.9R33 G34 V35R33-D115 VanDerWaalsContact O-CB 3.29Å; R33-D115 WeakPolarHBondContact O-CB 3.33Å; G34-D115 WeakPolarHBondContact CA-OD2 3.24Å; V35-D115 PolarHBondContact N-OD2 3.48Å; V35-D115 PolarHBondContact O-N 2.85Å
116L94.7Very high90.4Very high10 Ų1042.4 Ų42.45%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-152.6139.2-179.8177.871.4000110.4R33 V35 I36 G37 P135 Y137R33-L116 HydrophobicContact CG-CD2 4.34Å; V35-L116 PolarHBondContact O-N 3.28Å; I36-L116 CarbonylContact C-O 3.48Å; I36-L116 VanDerWaalsContact CA-O 3.31Å; I36-L116 WeakPolarHBondContact CA-O 3.31Å; I36-L116 HydrophobicContact CD1-CD2 4.31Å; I36-L116 HydrophobicContact CG1-CB 4.41Å; I36-L116 HydrophobicContact CG1-CD2 4.29Å; G37-L116 PolarHBondContact N-O 3.45Å; L116-P135 HydrophobicContact CD1-CB 3.95Å; L116-Y137 HydrophobicContact CD1-CD2 3.73Å; L116-Y137 HydrophobicContact CD1-CE2 3.6Å; L116-Y137 HydrophobicContact CD2-CD2 3.95Å; L116-Y137 HydrophobicContact CD2-CE2 3.74Å; L116-Y137 HydrophobicContact CG-CD2 4.19Å; L116-Y137 HydrophobicContact CG-CE2 4.21Å
117I95.6Very high89.8Confident0 Ų044.7 Ų44.70%026%0.263CS..EExtended strand (participates in β ladder)trans-107.3134.6175.6-54.7158.3000110.2G37 M111 V114 A119 A129 S132 H134 P135 A136 Y137G37-I117 CarbonylContact O-C 3.52Å; G37-I117 WeakPolarHBondContact O-CA 3.49Å; M111-I117 HydrophobicContact CB-CD1 3.64Å; M111-I117 HydrophobicContact CB-CG1 4.29Å; M111-I117 HydrophobicContact CG-CD1 3.85Å; M111-I117 HydrophobicContact CG-CG1 4.28Å; M111-I117 HydrophobicContact CG-CG2 4.19Å; M111-I117 WeakPolarHBondContact O-CD1 3.42Å; V114-I117 HydrophobicContact CG2-CG1 3.73Å; I117-A119 HydrophobicContact CG2-CB 4.19Å; I117-A129 HydrophobicContact CD1-CB 4.35Å; I117-A129 HydrophobicContact CG2-CB 3.83Å; I117-S132 WeakPolarHBondContact CD1-OG 3.47Å; I117-H134 HydrophobicContact CD1-CB 4.21Å; I117-P135 PolarHBondContact N-O 3.35Å; I117-A136 HydrophobicContact CB-CB 4.05Å; I117-A136 HydrophobicContact CD1-CB 4.43Å; I117-A136 CarbonylContact O-C 3.59Å; I117-A136 WeakPolarHBondContact O-CA 3.38Å; I117-Y137 PolarHBondContact O-N 3.24Å
118V96.2Very high89.3Confident21 Ų2145.6 Ų45.613%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-112.1101.7165-178.70000107.7I36 G37 S38 V39 N52I36-V118 HydrophobicContact CG2-CB 4.48Å; I36-V118 HydrophobicContact CG2-CG2 3.8Å; G37-V118 PolarHBondContact O-N 3.29Å; S38-V118 WeakPolarHBondContact CA-O 3.3Å; V39-V118 PolarHBondContact N-O 2.7Å; N52-V118 WeakPolarHBondContact ND2-CG1 3.28Å
119A93.4Very high89.2Confident0 Ų041.8 Ų41.80%025%0.252CS..EExtended strand (participates in β ladder)trans-100.494.7-173.600000110.4I117 V126 A129 Y137 V139I117-A119 HydrophobicContact CG2-CB 4.19Å; A119-V126 HydrophobicContact CB-CG2 4.28Å; A119-A129 HydrophobicContact CB-CB 3.57Å; A119-Y137 PolarHBondContact N-O 3.16Å; A119-V139 PolarHBondContact O-N 3.09Å
120T93.4Very high88.7Confident11 Ų1142.7 Ų42.77%0.06725%0.252CS..  trans-103.595.2175.8-50.90000109.6V39 T40 P41 T48 V139 S341V39-T120 PolarHBondContact O-N 2.7Å; T40-T120 CarbonylContact C-O 3.53Å; P41-T120 VanDerWaalsContact CD-O 3.23Å; P41-T120 WeakPolarHBondContact CD-O 3.39Å; P41-T120 HydrophobicContact CG-CG2 4.1Å; T48-T120 HydrophobicContact CG2-CG2 4Å; T120-V139 HydrophobicContact CG2-CG1 4.32Å; T120-V139 HydrophobicContact CG2-CG2 4.44Å; T120-S341 PolarHBondContact OG1-OG 2.93Å
121G87.8Confident87.8Confident19 Ų1945.2 Ų45.220%0.19627%0.27CS..SBendtrans-178.7-165.2-179.500000111.7V139G121-V139 WeakPolarHBondContact O-CG2 3.36Å
122G83.9Confident87.2Confident44 Ų4446 Ų4645%0.45428%0.277SS..  trans-68.2166.5-176.100000114.2G124 L125 V126G122-G124 VanDerWaalsContact C-N 3.3Å; G122-G124 PolarHBondContact O-N 3.31Å; G122-G124 VanDerWaalsContact O-N 3.16Å; G122-L125 WeakPolarHBondContact O-CB 3.31Å; G122-L125 PolarHBondContact O-N 3.15Å; G122-V126 PolarHBondContact O-N 3.04Å
123P80.1Confident86.6Confident90 Ų9043.5 Ų43.558%0.58428%0.284SS*.Hα-helixtrans-54.2-39.6-173.4-28.134.4000114.7L125 V126 K127P123-L125 VanDerWaalsContact C-N 3.34Å; P123-L125 PolarHBondContact O-N 3.09Å; P123-V126 PolarHBondContact O-N 2.89Å; P123-K127 WeakPolarHBondContact O-CB 3.23Å; P123-K127 PolarHBondContact O-N 2.83Å
124G78.3Confident86Confident59 Ų5943.2 Ų43.261%0.60827%0.274SS*.Hα-helixtrans-63.1-37.4179.500000113.6G122 S128G122-G124 VanDerWaalsContact C-N 3.3Å; G122-G124 PolarHBondContact O-N 3.31Å; G122-G124 VanDerWaalsContact O-N 3.16Å; G124-S128 PolarHBondContact O-N 2.81Å
125L86.1Confident85.5Confident46 Ų4646 Ų4624%0.24129%0.293CS..Hα-helixtrans-69.7-43.3176.8179.175.7000111V39 M111 G122 P123 S128 A129V39-L125 HydrophobicContact CB-CD1 4.45Å; V39-L125 HydrophobicContact CB-CD2 3.86Å; V39-L125 HydrophobicContact CG1-CD1 3.85Å; V39-L125 HydrophobicContact CG1-CD2 3.43Å; V39-L125 VanDerWaalsContact CG1-CD2 3.43Å; V39-L125 HydrophobicContact CG1-CG 4.19Å; M111-L125 HydrophobicContact CE-CD1 3.46Å; M111-L125 VanDerWaalsContact CE-CD1 3.46Å; M111-L125 HydrophobicContact CE-CG 4.1Å; G122-L125 WeakPolarHBondContact O-CB 3.31Å; G122-L125 PolarHBondContact O-N 3.15Å; P123-L125 VanDerWaalsContact C-N 3.34Å; P123-L125 PolarHBondContact O-N 3.09Å; L125-S128 WeakPolarHBondContact O-CB 3.46Å; L125-S128 PolarHBondContact O-N 3.27Å; L125-S128 VanDerWaalsContact O-N 3.16Å; L125-A129 PolarHBondContact O-N 2.93Å
126V86.7Confident85.2Confident14 Ų1442.8 Ų42.89%0.08528%0.277CS..Hα-helixtrans-63.6-43.2178.8173.70000110.5A119 G122 P123 S128 A129 Y130 V139A119-V126 HydrophobicContact CB-CG2 4.28Å; G122-V126 PolarHBondContact O-N 3.04Å; P123-V126 PolarHBondContact O-N 2.89Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3Å; V126-A129 WeakPolarHBondContact O-CB 3.41Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.11Å; V126-Y130 HydrophobicContact CG1-CD2 3.76Å; V126-Y130 HydrophobicContact CG1-CE2 3.66Å; V126-Y130 WeakPolarHBondContact O-CD2 3.4Å; V126-Y130 PolarHBondContact O-N 3.17Å; V126-V139 HydrophobicContact CG2-CG2 4.29Å; V126-V139 WeakPolarHBondContact CG2-O 3.2Å
127K79.5Confident85.1Confident128 Ų12849.5 Ų49.556%0.55730%0.303SS*.Hα-helixtrans-58.3-41.1172.1-172.6170.6-176.7169.90111.9P123 S131P123-K127 WeakPolarHBondContact O-CB 3.23Å; P123-K127 PolarHBondContact O-N 2.83Å; K127-S131 VanDerWaalsContact O-CB 3.29Å; K127-S131 WeakPolarHBondContact O-CB 3.46Å; K127-S131 PolarHBondContact O-N 3.31Å; K127-S131 PolarHBondContact O-OG 2.93Å
128S81.8Confident84.8Confident34 Ų3450 Ų5024%0.23831%0.307CS..Hα-helixtrans-62.9-41.1174.3-1700000112.1G124 L125 V126 S131 S132G124-S128 PolarHBondContact O-N 2.81Å; L125-S128 WeakPolarHBondContact O-CB 3.46Å; L125-S128 PolarHBondContact O-N 3.27Å; L125-S128 VanDerWaalsContact O-N 3.16Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3Å; S128-S131 CarbonylContact O-C 3.57Å; S128-S131 PolarHBondContact O-N 3.42Å; S128-S131 VanDerWaalsContact O-N 3.13Å; S128-S132 PolarHBondContact O-N 3.11Å; S128-S132 VanDerWaalsContact O-N 3.13Å
129A86.1Confident84.6Confident0 Ų050 Ų500%031%0.307CS..Hα-helixtrans-64-46.9178.500000112.1M111 I117 A119 L125 V126 S131 S132 A136M111-A129 HydrophobicContact CE-CB 4.2Å; M111-A129 HydrophobicContact SD-CB 4.12Å; I117-A129 HydrophobicContact CD1-CB 4.35Å; I117-A129 HydrophobicContact CG2-CB 3.83Å; A119-A129 HydrophobicContact CB-CB 3.57Å; L125-A129 PolarHBondContact O-N 2.93Å; V126-A129 WeakPolarHBondContact O-CB 3.41Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.11Å; A129-S131 PolarHBondContact O-N 3.03Å; A129-S132 VanDerWaalsContact O-CB 3.26Å; A129-S132 WeakPolarHBondContact O-CB 3.37Å; A129-S132 PolarHBondContact O-N 3.3Å; A129-S132 VanDerWaalsContact O-N 3.17Å; A129-S132 PolarHBondContact O-OG 2.9Å; A129-A136 HydrophobicContact CB-CB 4.06Å
130Y81.4Confident84.2Confident125 Ų12550.5 Ų50.549%0.4931%0.313SS..Hα-helixtrans-67.3-15173.6-76.5-70.3000113.6V126 A136 G138V126-Y130 HydrophobicContact CG1-CD2 3.76Å; V126-Y130 HydrophobicContact CG1-CE2 3.66Å; V126-Y130 WeakPolarHBondContact O-CD2 3.4Å; V126-Y130 PolarHBondContact O-N 3.17Å; Y130-A136 HydrophobicContact CD1-CB 4.07Å; Y130-A136 HydrophobicContact CE1-CB 4.12Å; Y130-A136 VanDerWaalsContact CE1-O 3.23Å; Y130-A136 WeakPolarHBondContact CE1-O 3.23Å; Y130-A136 HydrophobicContact CG-CB 4.4Å; Y130-A136 PolarHBondContact OH-O 2.91Å; Y130-G138 PolarHBondContact OH-N 3.19Å; Y130-G138 VanDerWaalsContact OH-N 3.1Å
131S75.8Confident83.9Confident66 Ų6651.5 Ų51.546%0.46232%0.32SS..THydrogen-bonded Turntrans-96.40.4175.9-56.70000113.9K127 S128 A129 G133K127-S131 VanDerWaalsContact O-CB 3.29Å; K127-S131 WeakPolarHBondContact O-CB 3.46Å; K127-S131 PolarHBondContact O-N 3.31Å; K127-S131 PolarHBondContact O-OG 2.93Å; S128-S131 CarbonylContact O-C 3.57Å; S128-S131 PolarHBondContact O-N 3.42Å; S128-S131 VanDerWaalsContact O-N 3.13Å; A129-S131 PolarHBondContact O-N 3.03Å; S131-G133 VanDerWaalsContact C-N 3.29Å; S131-G133 PolarHBondContact O-N 3.06Å
132S79.5Confident83.9Confident20 Ų2050.6 Ų50.614%0.1431%0.31CS..SBendtrans-71.9-17.9-176.265.40000114.8I117 S128 A129 H134I117-S132 WeakPolarHBondContact CD1-OG 3.47Å; S128-S132 PolarHBondContact O-N 3.11Å; S128-S132 VanDerWaalsContact O-N 3.13Å; A129-S132 VanDerWaalsContact O-CB 3.26Å; A129-S132 WeakPolarHBondContact O-CB 3.37Å; A129-S132 PolarHBondContact O-N 3.3Å; A129-S132 VanDerWaalsContact O-N 3.17Å; A129-S132 PolarHBondContact O-OG 2.9Å; S132-H134 VanDerWaalsContact C-N 3.29Å; S132-H134 PolarHBondContact OG-N 2.68Å; S132-H134 VanDerWaalsContact OG-N 3.08Å; S132-H134 PolarHBondContact OG-O 2.8Å
133G75.5Confident84.5Confident66 Ų6648.5 Ų48.568%0.6829%0.289SS*.SBendtrans86.3-4.8-168.500000113.9S131S131-G133 VanDerWaalsContact C-N 3.29Å; S131-G133 PolarHBondContact O-N 3.06Å
134H79.3Confident85.3Confident70 Ų7044.2 Ų44.232%0.32426%0.261SS..SBendtrans-110.1153.2179.4-69.9-103.5000111.8K112 V114 I117 S132 A136K112-H134 PolarHBondContact O-NE2 3.12Å; K112-H134 VanDerWaalsContact O-NE2 3.15Å; V114-H134 PolarHBondContact O-CE1 3.12Å; V114-H134 PolarHBondContact O-ND1 3.43Å; I117-H134 HydrophobicContact CD1-CB 4.21Å; S132-H134 VanDerWaalsContact C-N 3.29Å; S132-H134 PolarHBondContact OG-N 2.68Å; S132-H134 VanDerWaalsContact OG-N 3.08Å; S132-H134 PolarHBondContact OG-O 2.8Å; H134-A136 PolarHBondContact O-N 3.07Å
135P85.9Confident86.2Confident63 Ų6341.4 Ų41.441%0.40923%0.232SC..  trans-55.4134.8173.2-24.134.4000111.3L116 I117L116-P135 HydrophobicContact CD1-CB 3.95Å; I117-P135 PolarHBondContact N-O 3.35Å
136A88.6Confident86.8Confident13 Ų1339.2 Ų39.211%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-135.4140.4-178.200000111.9I117 A129 Y130 H134I117-A136 HydrophobicContact CB-CB 4.05Å; I117-A136 HydrophobicContact CD1-CB 4.43Å; I117-A136 CarbonylContact O-C 3.59Å; I117-A136 WeakPolarHBondContact O-CA 3.38Å; A129-A136 HydrophobicContact CB-CB 4.06Å; Y130-A136 HydrophobicContact CD1-CB 4.07Å; Y130-A136 HydrophobicContact CE1-CB 4.12Å; Y130-A136 VanDerWaalsContact CE1-O 3.23Å; Y130-A136 WeakPolarHBondContact CE1-O 3.23Å; Y130-A136 HydrophobicContact CG-CB 4.4Å; Y130-A136 PolarHBondContact OH-O 2.91Å; H134-A136 PolarHBondContact O-N 3.07Å
137Y91.5Very high87.4Confident151 Ų15138.5 Ų38.559%0.59222%0.216SC*.EExtended strand (participates in β ladder)trans-106.3102.5164.6-65.6-61.5000108.5L116 I117 A119L116-Y137 HydrophobicContact CD1-CD2 3.73Å; L116-Y137 HydrophobicContact CD1-CE2 3.6Å; L116-Y137 HydrophobicContact CD2-CD2 3.95Å; L116-Y137 HydrophobicContact CD2-CE2 3.74Å; L116-Y137 HydrophobicContact CG-CD2 4.19Å; L116-Y137 HydrophobicContact CG-CE2 4.21Å; I117-Y137 PolarHBondContact O-N 3.24Å; A119-Y137 PolarHBondContact N-O 3.16Å
138G90Very high88.3Confident9 Ų932.5 Ų32.59%0.09319%0.19CC..EExtended strand (participates in β ladder)trans-94.8162.2176.300000113.4Y130Y130-G138 PolarHBondContact OH-N 3.19Å; Y130-G138 VanDerWaalsContact OH-N 3.1Å
139V91.8Very high89Confident21 Ų2131 Ų3113%0.12718%0.18CC..  trans-110.2172.2169.8-560000110.2A119 T120 G121 V126 L342A119-V139 PolarHBondContact O-N 3.09Å; T120-V139 HydrophobicContact CG2-CG1 4.32Å; T120-V139 HydrophobicContact CG2-CG2 4.44Å; G121-V139 WeakPolarHBondContact O-CG2 3.36Å; V126-V139 HydrophobicContact CG2-CG2 4.29Å; V126-V139 WeakPolarHBondContact CG2-O 3.2Å; V139-L342 WeakPolarHBondContact CB-O 3.49Å; V139-L342 WeakPolarHBondContact CG1-O 3.24Å
140G85.5Confident89.6Confident12 Ų1235.7 Ų35.712%0.12420%0.197CC..  trans-124.9171.1170.100000111.6C344G140-C344 VanDerWaalsContact CA-SG 3.54Å; G140-C344 PolarHBondContact N-SG 3.07Å
141P87.3Confident90.3Very high31 Ų3132.9 Ų32.920%0.20119%0.191CC..  trans-62.5156.2172.828.6-34.1000111.3E263 E291 G292 H295P141-E263 WeakPolarHBondContact CB-OE2 2.97Å; P141-E291 HydrophobicContact CB-CG 4Å; P141-E291 HydrophobicContact CG-CG 3.95Å; P141-G292 WeakPolarHBondContact O-CA 3.28Å; P141-H295 PolarHBondContact O-CD2 2.97Å
142G88.4Confident91.4Very high0 Ų030.5 Ų30.50%017%0.172CC..  trans-114.295.6-172.700000112.7C173 E263G142-C173 CarbonylContact C-O 3.56Å; G142-C173 VanDerWaalsContact CA-O 3.24Å; G142-C173 WeakPolarHBondContact CA-O 3.18Å; G142-E263 PolarHBondContact N-OE1 3.3Å; G142-E263 PolarHBondContact N-OE2 3.15Å; G142-E263 VanDerWaalsContact N-OE2 3.08Å; G142-E263 VanDerWaalsContact O-CG 3.29Å; G142-E263 WeakPolarHBondContact O-CG 3.41Å
143N94.7Very high92.3Very high0 Ų033.6 Ų33.60%019%0.187CC..  trans-109.359.8177.1-164.220.2000112.1Q145 Q177 C261 N287 L288 E291N143-Q145 PolarHBondContact O-N 2.78Å; N143-Q145 PolarHBondContact O-NE2 3.13Å; N143-Q145 PolarHBondContact OD1-NE2 3.39Å; N143-Q177 VanDerWaalsContact OD1-CB 3.29Å; N143-Q177 WeakPolarHBondContact OD1-CB 3.31Å; N143-Q177 VanDerWaalsContact OD1-CG 3.26Å; N143-Q177 WeakPolarHBondContact OD1-CG 3.48Å; N143-C261 PolarHBondContact ND2-O 3.33Å; N143-C261 PolarHBondContact OD1-O 3.01Å; N143-N287 PolarHBondContact ND2-O 2.94Å; N143-L288 WeakPolarHBondContact O-CD2 3.39Å; N143-E291 HydrophobicContact CB-CB 4.42Å; N143-E291 HydrophobicContact CB-CG 4.49Å; N143-E291 WeakPolarHBondContact CB-O 3.32Å; N143-E291 PolarHBondContact ND2-O 2.89Å
144V97.4Very high93.4Very high0 Ų030.5 Ų30.50%016%0.155CC..EExtended strand (participates in β ladder)trans-66.9117.7-166.1-177.50000112.3C173 Q176 Q177 S296 T325V144-C173 WeakPolarHBondContact CG2-O 3.29Å; V144-Q176 CarbonylContact O-C 3.52Å; V144-Q177 PolarHBondContact O-N 3.37Å; V144-S296 WeakPolarHBondContact CA-O 3.33Å; V144-T325 HydrophobicContact CG1-CG2 3.6Å
145Q97.6Very high94.3Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-94.9136176.7-52.1-56.9-62.600110N143 S178 F180 A284 N287 L288 A297 G298N143-Q145 PolarHBondContact O-N 2.78Å; N143-Q145 PolarHBondContact O-NE2 3.13Å; N143-Q145 PolarHBondContact OD1-NE2 3.39Å; Q145-S178 PolarHBondContact OE1-OG 3.46Å; Q145-F180 HydrophobicContact CB-CE2 4.05Å; Q145-F180 HydrophobicContact CG-CE2 4.33Å; Q145-A284 HydrophobicContact CB-CB 3.75Å; Q145-A284 HydrophobicContact CG-CB 4.19Å; Q145-N287 VanDerWaalsContact CD-CB 3.49Å; Q145-N287 HydrophobicContact CG-CB 4Å; Q145-N287 PolarHBondContact OE1-ND2 3.08Å; Q145-L288 HydrophobicContact CG-CD1 4.43Å; Q145-L288 HydrophobicContact CG-CD2 4.23Å; Q145-L288 HydrophobicContact CG-CG 3.86Å; Q145-A297 CarbonylContact O-C 3.52Å; Q145-A297 VanDerWaalsContact O-CA 3.32Å; Q145-A297 WeakPolarHBondContact O-CA 3.31Å; Q145-A297 WeakPolarHBondContact O-CB 3.24Å; Q145-G298 PolarHBondContact O-N 3.48Å
146A98.2Very high94.9Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-114.1141.3172.600000111.3Q176 S178 L179 F180 G298 F300 T325A146-Q176 HydrophobicContact CB-CG 3.71Å; A146-S178 PolarHBondContact N-O 3.11Å; A146-L179 HydrophobicContact CB-CD1 4.13Å; A146-L179 WeakPolarHBondContact O-CA 3.21Å; A146-F180 PolarHBondContact O-N 2.79Å; A146-G298 CarbonylContact C-O 3.49Å; A146-G298 VanDerWaalsContact CA-O 3.27Å; A146-G298 WeakPolarHBondContact CA-O 3.19Å; A146-F300 HydrophobicContact CB-CE2 4.16Å; A146-T325 HydrophobicContact CB-CG2 4.46Å
147I98.6Very high95.3Very high0 Ų030.5 Ų30.50%015%0.152CC..EExtended strand (participates in β ladder)trans-119128.4177.8-54.387.3000108.6F180 Y274 F277 I281 A284 G298 L299 F300 L314I147-F180 HydrophobicContact CG1-CB 4.43Å; I147-F180 HydrophobicContact CG1-CD2 4.35Å; I147-Y274 HydrophobicContact CG2-CE1 3.97Å; I147-F277 HydrophobicContact CG2-CD2 4.35Å; I147-F277 HydrophobicContact CG2-CE2 3.88Å; I147-I281 HydrophobicContact CD1-CD1 4.25Å; I147-I281 HydrophobicContact CG1-CD1 4.27Å; I147-A284 HydrophobicContact CD1-CB 3.88Å; I147-A284 HydrophobicContact CG1-CB 4.24Å; I147-G298 PolarHBondContact N-O 2.91Å; I147-L299 HydrophobicContact CB-CD1 3.98Å; I147-L299 HydrophobicContact CG2-CD1 4.26Å; I147-L299 WeakPolarHBondContact O-CA 3.28Å; I147-F300 PolarHBondContact O-N 3.06Å; I147-L314 HydrophobicContact CD1-CD1 4.12Å
148L98.7Very high95.6Very high1 Ų123.4 Ų23.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-100.1117.1171.816858.2000109.5F152 V154 A157 L179 F180 P182 V189 Y274 F300L148-F152 HydrophobicContact CD1-CB 3.88Å; L148-F152 HydrophobicContact CD1-CD1 4.03Å; L148-F152 HydrophobicContact CD1-CG 4.4Å; L148-V154 HydrophobicContact CD2-CG2 4.3Å; L148-A157 HydrophobicContact CD1-CB 3.66Å; L148-A157 HydrophobicContact CD2-CB 4.1Å; L148-A157 HydrophobicContact CG-CB 4.37Å; L148-L179 HydrophobicContact CB-CD1 4.1Å; L148-F180 PolarHBondContact N-O 3.48Å; L148-P182 VanDerWaalsContact O-CD 3.28Å; L148-P182 WeakPolarHBondContact O-CD 3.5Å; L148-V189 HydrophobicContact CD2-CG2 3.76Å; L148-Y274 PolarHBondContact O-OH 2.96Å; L148-F300 HydrophobicContact CB-CD2 4.38Å; L148-F300 HydrophobicContact CD1-CB 4.01Å
149D98.1Very high96Very high4 Ų427.2 Ų27.22%0.02114%0.14CC..  trans-80.7162.6177.4-158.7-12.1000112.6D151 F152 K185 F277 F300 S301 H306D149-D151 WeakPolarHBondContact CB-OD1 3.4Å; D149-D151 PolarHBondContact O-N 3.32Å; D149-F152 PolarHBondContact O-N 2.96Å; D149-K185 PolarHBondContact O-NZ 3.3Å; D149-K185 VanDerWaalsContact O-NZ 3.12Å; D149-F277 HydrophobicContact CB-CE2 4.46Å; D149-F300 WeakPolarHBondContact CB-O 3.11Å; D149-F300 PolarHBondContact N-O 2.98Å; D149-S301 WeakPolarHBondContact OD2-CB 3.36Å; D149-S301 PolarHBondContact OD2-OG 2.86Å; D149-H306 IonicContact OD1-CE1 3.58Å; D149-H306 IonicContact OD1-ND1 3.49Å; D149-H306 PolarHBondContact OD1-ND1 3Å; D149-H306 IonicContact OD2-CE1 3.88Å; D149-H306 IonicContact OD2-CG 3.49Å; D149-H306 IonicContact OD2-ND1 3.59Å; D149-H306 PolarHBondContact OD2-ND1 3.17Å
150R97.5Very high96.3Very high97 Ų9727.6 Ų27.637%0.36614%0.141SC..THydrogen-bonded Turntrans-63.1-30.5177-72.1178.1167.497.614.1112.8F152 P182 E184 K185 D275R150-F152 VanDerWaalsContact C-N 3.35Å; R150-P182 HydrophobicContact CB-CG 4.45Å; R150-P182 HydrophobicContact CG-CB 3.87Å; R150-P182 HydrophobicContact CG-CG 3.53Å; R150-E184 WeakPolarHBondContact CD-OE1 3.32Å; R150-E184 IonicContact CZ-OE1 2.67Å; R150-E184 IonicContact NE-OE1 2.74Å; R150-E184 PolarHBondContact NE-OE1 2.97Å; R150-E184 IonicContact NE-OE2 2.78Å; R150-E184 IonicContact NH2-OE1 2.78Å; R150-E184 PolarHBondContact NH2-OE1 3.39Å; R150-E184 IonicContact NH2-OE2 2.83Å; R150-E184 PolarHBondContact NH2-OE2 3.48Å; R150-K185 VanDerWaalsContact O-CE 3.27Å; R150-K185 WeakPolarHBondContact O-CE 3.07Å; R150-K185 PolarHBondContact O-NZ 3.25Å; R150-D275 PolarHBondContact NH2-O 3.08Å
151D97.3Very high96.9Very high67 Ų6727 Ų2736%0.35814%0.135SC..THydrogen-bonded Turntrans-86.2-4.2-175.972.5-9.8000114.3D149 S301 H302 S303D149-D151 WeakPolarHBondContact CB-OD1 3.4Å; D149-D151 PolarHBondContact O-N 3.32Å; D151-S301 WeakPolarHBondContact OD1-CA 3.45Å; D151-H302 PolarHBondContact O-CD2 3.35Å; D151-H302 PolarHBondContact OD1-N 3.45Å; D151-H302 VanDerWaalsContact OD2-C 3.22Å; D151-H302 VanDerWaalsContact OD2-CA 3.29Å; D151-H302 WeakPolarHBondContact OD2-CA 3.46Å; D151-H302 VanDerWaalsContact OD2-CB 3.31Å; D151-H302 WeakPolarHBondContact OD2-CB 3.29Å; D151-H302 PolarHBondContact OD2-N 2.93Å; D151-S303 PolarHBondContact OD2-N 2.96Å
152F98.1Very high97.4Very high15 Ų1526 Ų267%0.06613%0.128CC..SBendtrans-102.4151.5-176.6-160.5-91.6000113.1L148 D149 R150 V156 A157 K185 F300 H302 N322L148-F152 HydrophobicContact CD1-CB 3.88Å; L148-F152 HydrophobicContact CD1-CD1 4.03Å; L148-F152 HydrophobicContact CD1-CG 4.4Å; D149-F152 PolarHBondContact O-N 2.96Å; R150-F152 VanDerWaalsContact C-N 3.35Å; F152-V156 HydrophobicContact CE1-CB 4.03Å; F152-V156 HydrophobicContact CE1-CG1 3.86Å; F152-V156 HydrophobicContact CZ-CG1 3.97Å; F152-A157 HydrophobicContact CD1-CB 4.11Å; F152-A157 HydrophobicContact CE1-CB 4.23Å; F152-K185 PolarHBondContact O-NZ 3.16Å; F152-F300 HydrophobicContact CB-CB 4.32Å; F152-F300 WeakPolarHBondContact CB-O 3.48Å; F152-F300 HydrophobicContact CD1-CB 3.54Å; F152-F300 HydrophobicContact CD1-CG 4.4Å; F152-F300 HydrophobicContact CD2-CB 4.36Å; F152-F300 HydrophobicContact CE1-CB 3.82Å; F152-F300 HydrophobicContact CE1-CD1 4.26Å; F152-F300 HydrophobicContact CE1-CG 4.3Å; F152-F300 HydrophobicContact CG-CB 3.81Å; F152-F300 HydrophobicContact CZ-CB 4.36Å; F152-H302 AromaticContact CD2-CE1 3.71Å; F152-H302 AromaticContact CD2-NE2 3.65Å; F152-H302 AromaticContact CE2-CE1 3.67Å; F152-H302 AromaticContact CE2-NE2 3.94Å; F152-N322 WeakPolarHBondContact CD2-OD1 3.46Å; F152-N322 HydrophobicContact CE2-CB 3.9Å; F152-N322 WeakPolarHBondContact CE2-OD1 3.43Å; F152-N322 HydrophobicContact CZ-CB 4.16Å
153D98Very high97.8Very high85 Ų8529.6 Ų29.646%0.45515%0.147SC..  trans-70.7123.9-179-175.4-61000111.7E155 V156 A157D153-E155 WeakPolarHBondContact OD1-CA 3.38Å; D153-E155 WeakPolarHBondContact OD1-CB 3.3Å; D153-E155 PolarHBondContact OD1-N 3.45Å; D153-V156 HydrophobicContact CB-CB 4.14Å; D153-V156 HydrophobicContact CB-CG2 3.98Å; D153-V156 PolarHBondContact OD1-N 3.48Å; D153-A157 WeakPolarHBondContact O-CB 3.34Å; D153-A157 PolarHBondContact O-N 3.34Å
154V98.3Very high97.8Very high2 Ų229.6 Ų29.61%0.01215%0.147CC..Hα-helixtrans-69-38.1-174.8179.10000112.4L148 A157 A158 K185 E188 V189 A192L148-V154 HydrophobicContact CD2-CG2 4.3Å; V154-A157 PolarHBondContact O-N 2.91Å; V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 3.46Å; V154-K185 HydrophobicContact CG2-CD 3.78Å; V154-E188 HydrophobicContact CB-CG 3.92Å; V154-E188 HydrophobicContact CG1-CB 4.29Å; V154-E188 HydrophobicContact CG1-CG 3.86Å; V154-E188 VanDerWaalsContact CG2-CD 3.48Å; V154-E188 HydrophobicContact CG2-CG 4.02Å; V154-V189 HydrophobicContact CG1-CB 4.22Å; V154-V189 HydrophobicContact CG1-CG2 3.68Å; V154-A192 HydrophobicContact CG1-CB 3.93Å
155E98.2Very high97.8Very high84 Ų8429.6 Ų29.639%0.39315%0.147SC..Hα-helixtrans-66.6-40.7179.4-75-72.417700111.2D153 E159 A192 K196D153-E155 WeakPolarHBondContact OD1-CA 3.38Å; D153-E155 WeakPolarHBondContact OD1-CB 3.3Å; D153-E155 PolarHBondContact OD1-N 3.45Å; E155-E159 WeakPolarHBondContact O-CB 3.32Å; E155-E159 PolarHBondContact O-N 3.26Å; E155-A192 HydrophobicContact CG-CB 4.47Å; E155-K196 WeakPolarHBondContact OE2-CE 3.19Å
156V98.2Very high97.8Very high62 Ų6230.9 Ų30.938%0.37616%0.156SC..Hα-helixtrans-66.1-45174.6179.20000110.6F152 D153 A158 E159 L160F152-V156 HydrophobicContact CE1-CB 4.03Å; F152-V156 HydrophobicContact CE1-CG1 3.86Å; F152-V156 HydrophobicContact CZ-CG1 3.97Å; D153-V156 HydrophobicContact CB-CB 4.14Å; D153-V156 HydrophobicContact CB-CG2 3.98Å; D153-V156 PolarHBondContact OD1-N 3.48Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 2.9Å; V156-E159 PolarHBondContact O-N 2.96Å; V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 VanDerWaalsContact O-CG 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 3.01Å
157A98.2Very high97.6Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-62.5-40.2178.400000112.6L148 F152 D153 V154 S161 F300L148-A157 HydrophobicContact CD1-CB 3.66Å; L148-A157 HydrophobicContact CD2-CB 4.1Å; L148-A157 HydrophobicContact CG-CB 4.37Å; F152-A157 HydrophobicContact CD1-CB 4.11Å; F152-A157 HydrophobicContact CE1-CB 4.23Å; D153-A157 WeakPolarHBondContact O-CB 3.34Å; D153-A157 PolarHBondContact O-N 3.34Å; V154-A157 PolarHBondContact O-N 2.91Å; A157-S161 VanDerWaalsContact O-CB 3.24Å; A157-S161 WeakPolarHBondContact O-CB 3.27Å; A157-S161 PolarHBondContact O-N 3.02Å; A157-S161 PolarHBondContact O-OG 2.59Å; A157-F300 HydrophobicContact CB-CB 4.38Å; A157-F300 HydrophobicContact CB-CD2 3.84Å; A157-F300 HydrophobicContact CB-CE2 4.28Å; A157-F300 HydrophobicContact CB-CG 4.09Å
158A98.4Very high97.4Very high2 Ų240.3 Ų40.32%0.01720%0.201CC..Hα-helixtrans-62.8-46174.800000111.4V154 V156 S161 V162 A192 L193 K196V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 3.46Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 2.9Å; A158-S161 PolarHBondContact O-N 2.76Å; A158-V162 WeakPolarHBondContact O-CG2 3.34Å; A158-V162 PolarHBondContact O-N 3.16Å; A158-A192 HydrophobicContact CB-CB 3.67Å; A158-L193 HydrophobicContact CB-CD2 4.03Å; A158-L193 HydrophobicContact CB-CG 4.21Å; A158-K196 HydrophobicContact CB-CG 4.18Å
159E98.2Very high97.3Very high89 Ų8942.2 Ų42.242%0.41621%0.212SC..Hα-helixtrans-60-48.9177.2-177.8169164.100112.1E155 V156 S161 V162 I163 K196E155-E159 WeakPolarHBondContact O-CB 3.32Å; E155-E159 PolarHBondContact O-N 3.26Å; V156-E159 PolarHBondContact O-N 2.96Å; E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 3.44Å; E159-V162 PolarHBondContact O-N 3.02Å; E159-I163 HydrophobicContact CG-CD1 3.98Å; E159-I163 VanDerWaalsContact O-CG1 3.3Å; E159-I163 WeakPolarHBondContact O-CG1 3.29Å; E159-I163 PolarHBondContact O-N 3Å; E159-K196 HydrophobicContact CB-CD 3.97Å; E159-K196 HydrophobicContact CB-CG 4.33Å; E159-K196 HydrophobicContact CG-CD 4.39Å; E159-K196 IonicContact OE2-NZ 3.72Å; E159-K196 PolarHBondContact OE2-NZ 3.32Å
160L97.8Very high97.1Very high28 Ų2842 Ų4215%0.14721%0.211CC..Hα-helixtrans-65-35.4178.7-66.2-177.2000112.5V156 G164 F300 P324V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 VanDerWaalsContact O-CG 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 3.01Å; L160-G164 PolarHBondContact O-N 3.03Å; L160-F300 HydrophobicContact CB-CE1 3.82Å; L160-F300 HydrophobicContact CB-CZ 3.96Å; L160-F300 HydrophobicContact CD1-CD1 4.17Å; L160-F300 HydrophobicContact CD1-CE1 3.73Å; L160-F300 HydrophobicContact CG-CE1 4.45Å; L160-P324 HydrophobicContact CD2-CB 4.37Å; L160-P324 HydrophobicContact CD2-CG 4.34Å
161S98Very high96.9Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-66.7-43.8176.1-64.60000111.7A157 A158 E159 G164 R165 Q176A157-S161 VanDerWaalsContact O-CB 3.24Å; A157-S161 WeakPolarHBondContact O-CB 3.27Å; A157-S161 PolarHBondContact O-N 3.02Å; A157-S161 PolarHBondContact O-OG 2.59Å; A158-S161 PolarHBondContact O-N 2.76Å; E159-S161 VanDerWaalsContact C-N 3.31Å; E159-S161 PolarHBondContact O-N 3.44Å; S161-G164 PolarHBondContact O-N 2.89Å; S161-R165 WeakPolarHBondContact O-CB 3.28Å; S161-R165 PolarHBondContact O-N 3.25Å; S161-Q176 PolarHBondContact OG-NE2 3.08Å
162V98Very high96.7Very high11 Ų1136.4 Ų36.47%0.06719%0.188CC..Hα-helixtrans-62.9-48.2175.8172.80000110.4A158 E159 G164 R165 S166 L193 K196 A198 Q245 I246A158-V162 WeakPolarHBondContact O-CG2 3.34Å; A158-V162 PolarHBondContact O-N 3.16Å; E159-V162 PolarHBondContact O-N 3.02Å; V162-G164 VanDerWaalsContact C-N 3.31Å; V162-G164 PolarHBondContact O-N 3.2Å; V162-R165 PolarHBondContact O-N 3.23Å; V162-S166 WeakPolarHBondContact O-CB 3.48Å; V162-S166 PolarHBondContact O-N 3.23Å; V162-S166 PolarHBondContact O-OG 2.67Å; V162-L193 HydrophobicContact CG2-CD2 4.16Å; V162-K196 WeakPolarHBondContact CG1-O 3.31Å; V162-K196 HydrophobicContact CG2-CB 3.91Å; V162-A198 HydrophobicContact CG2-CB 4.46Å; V162-Q245 HydrophobicContact CG1-CB 4.01Å; V162-I246 HydrophobicContact CB-CD1 4.47Å; V162-I246 HydrophobicContact CG2-CD1 3.83Å; V162-I246 HydrophobicContact CG2-CG1 4.23Å
163I96.7Very high96.5Very high74 Ų7437.4 Ų37.438%0.37920%0.196SC..Hα-helixtrans-56.8-45.9176-69166.8000111E159 R165 F167 P324E159-I163 HydrophobicContact CG-CD1 3.98Å; E159-I163 VanDerWaalsContact O-CG1 3.3Å; E159-I163 WeakPolarHBondContact O-CG1 3.29Å; E159-I163 PolarHBondContact O-N 3Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 3.43Å; I163-F167 PolarHBondContact O-N 3.15Å; I163-P324 HydrophobicContact CB-CB 4.44Å; I163-P324 HydrophobicContact CG2-CB 4.02Å; I163-P324 HydrophobicContact CG2-CG 4.37Å
164G95Very high96.3Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-65.6-34.2-178.900000113.5L160 S161 V162 C175L160-G164 PolarHBondContact O-N 3.03Å; S161-G164 PolarHBondContact O-N 2.89Å; V162-G164 VanDerWaalsContact C-N 3.31Å; V162-G164 PolarHBondContact O-N 3.2Å; G164-C175 WeakPolarHBondContact O-CA 3.24Å; G164-C175 WeakPolarHBondContact O-CB 3.46Å; G164-C175 PolarHBondContact O-SG 2.91Å
165R97Very high96.2Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-88.2-37.9-177.7-174.569-122.9156.4-0.7113.9S161 V162 I163 F167 G170 C175 Q176 Q177 I246 A266 V268 L269S161-R165 WeakPolarHBondContact O-CB 3.28Å; S161-R165 PolarHBondContact O-N 3.25Å; V162-R165 PolarHBondContact O-N 3.23Å; I163-R165 VanDerWaalsContact C-N 3.34Å; I163-R165 PolarHBondContact O-N 3.43Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.35Å; R165-G170 VanDerWaalsContact NH2-CA 3.29Å; R165-G170 PolarHBondContact NH2-O 2.8Å; R165-G170 WeakPolarHBondContact O-CA 3.38Å; R165-G170 PolarHBondContact O-N 2.77Å; R165-C175 VanDerWaalsContact NH1-C 3.32Å; R165-C175 VanDerWaalsContact NH1-CB 3.26Å; R165-C175 PolarHBondContact NH1-O 2.88Å; R165-C175 VanDerWaalsContact NH1-O 3.08Å; R165-Q176 WeakPolarHBondContact CD-O 3.27Å; R165-Q176 VanDerWaalsContact NH1-C 3.33Å; R165-Q176 PolarHBondContact NH1-O 2.87Å; R165-Q177 VanDerWaalsContact NH1-CD 3.28Å; R165-I246 HydrophobicContact CB-CD1 4.38Å; R165-I246 HydrophobicContact CB-CG2 3.95Å; R165-I246 HydrophobicContact CG-CB 4.38Å; R165-I246 HydrophobicContact CG-CD1 4.49Å; R165-I246 HydrophobicContact CG-CG2 3.86Å; R165-A266 PolarHBondContact NE-O 3.43Å; R165-A266 PolarHBondContact NH2-O 3.07Å; R165-V268 WeakPolarHBondContact CD-O 3.33Å; R165-L269 HydrophobicContact CG-CB 4.27Å
166S96.7Very high96.1Very high27 Ų2729.3 Ų29.319%0.18916%0.156CC..Hα-helixtrans-76.8-16.4-177.267.80000113.3V162 D168 N169V162-S166 WeakPolarHBondContact O-CB 3.48Å; V162-S166 PolarHBondContact O-N 3.23Å; V162-S166 PolarHBondContact O-OG 2.67Å; S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 VanDerWaalsContact O-N 3.07Å; S166-N169 PolarHBondContact O-N 3.16Å
167F95Very high96.1Very high104 Ų10426.4 Ų26.446%0.45614%0.138SC..G310 helixtrans-54.6116.6-178.1-171.4-89.8000111.8I163 R165 N169 G170 V172 I326I163-F167 PolarHBondContact O-N 3.15Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.35Å; F167-N169 PolarHBondContact O-N 3.19Å; F167-G170 PolarHBondContact O-N 2.91Å; F167-V172 HydrophobicContact CD1-CG2 3.88Å; F167-V172 HydrophobicContact CE1-CG2 4Å; F167-I326 HydrophobicContact CB-CD1 4.38Å; F167-I326 HydrophobicContact CB-CG1 4.35Å; F167-I326 HydrophobicContact CD1-CD1 3.56Å; F167-I326 HydrophobicContact CD1-CG1 3.82Å; F167-I326 HydrophobicContact CD2-CG1 4.31Å; F167-I326 HydrophobicContact CE1-CD1 4.06Å; F167-I326 HydrophobicContact CE1-CG1 4.2Å; F167-I326 HydrophobicContact CG-CD1 4.03Å; F167-I326 HydrophobicContact CG-CG1 3.89Å
168D94.8Very high96.1Very high95 Ų9526.5 Ų26.551%0.50814%0.139SC..G310 helixtrans50.144.1-176.6-156.334.5000112.4S166 G170 I171 V172S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 VanDerWaalsContact O-N 3.07Å; D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.16Å; D168-I171 HydrophobicContact CB-CG2 4.04Å; D168-I171 WeakPolarHBondContact O-CB 3.33Å; D168-I171 WeakPolarHBondContact O-CG2 3.05Å; D168-I171 PolarHBondContact O-N 2.78Å; D168-I171 VanDerWaalsContact O-N 3.15Å; D168-I171 VanDerWaalsContact OD2-CG2 3.28Å; D168-I171 WeakPolarHBondContact OD2-CG2 3.44Å; D168-V172 HydrophobicContact CB-CG2 4.29Å
169N96.3Very high96.1Very high41 Ų4126.4 Ų26.422%0.21914%0.138CC..G310 helixtrans53.434.4-176.1-68.9-18.3000113.5S166 F167 I171 G226 D228 A266 P267S166-N169 PolarHBondContact O-N 3.16Å; F167-N169 PolarHBondContact O-N 3.19Å; N169-I171 PolarHBondContact O-N 2.71Å; N169-G226 VanDerWaalsContact CB-O 3.31Å; N169-G226 WeakPolarHBondContact CB-O 3.46Å; N169-G226 PolarHBondContact ND2-O 3.38Å; N169-D228 PolarHBondContact ND2-OD1 2.73Å; N169-A266 CarbonylContact O-C 3.58Å; N169-A266 WeakPolarHBondContact O-CA 3.38Å; N169-P267 VanDerWaalsContact O-CD 3.24Å; N169-P267 WeakPolarHBondContact O-CD 3.46Å
170G94.2Very high96.1Very high0 Ų022.3 Ų22.30%012%0.119CC..G310 helixtrans69.414.8176.800000114.3R165 F167 D168 V172 M265R165-G170 VanDerWaalsContact NH2-CA 3.29Å; R165-G170 PolarHBondContact NH2-O 2.8Å; R165-G170 WeakPolarHBondContact O-CA 3.38Å; R165-G170 PolarHBondContact O-N 2.77Å; F167-G170 PolarHBondContact O-N 2.91Å; D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.16Å; G170-V172 VanDerWaalsContact C-N 3.27Å; G170-V172 PolarHBondContact O-N 3.49Å; G170-M265 CarbonylContact O-C 3.56Å; G170-M265 WeakPolarHBondContact O-CA 3.36Å
171I93.4Very high96.1Very high28 Ų2821 Ų2114%0.14411%0.112CC..THydrogen-bonded Turntrans-75.5-16.6-176.7-154.6176.4000113.1T43 D168 N169 I225 M265T43-I171 HydrophobicContact CG2-CD1 3.77Å; T43-I171 HydrophobicContact CG2-CG1 3.66Å; D168-I171 HydrophobicContact CB-CG2 4.04Å; D168-I171 WeakPolarHBondContact O-CB 3.33Å; D168-I171 WeakPolarHBondContact O-CG2 3.05Å; D168-I171 PolarHBondContact O-N 2.78Å; D168-I171 VanDerWaalsContact O-N 3.15Å; D168-I171 VanDerWaalsContact OD2-CG2 3.28Å; D168-I171 WeakPolarHBondContact OD2-CG2 3.44Å; N169-I171 PolarHBondContact O-N 2.71Å; I171-I225 HydrophobicContact CD1-CG2 3.9Å; I171-I225 HydrophobicContact CG1-CG2 3.8Å; I171-M265 HydrophobicContact CG1-CE 4.12Å
172V93.1Very high96.1Very high17 Ų1721 Ų2110%0.10311%0.112CC..SBendtrans-81.9131.6-177.9-176.20000110.4F167 D168 G170 A174 C175 I326F167-V172 HydrophobicContact CD1-CG2 3.88Å; F167-V172 HydrophobicContact CE1-CG2 4Å; D168-V172 HydrophobicContact CB-CG2 4.29Å; G170-V172 VanDerWaalsContact C-N 3.27Å; G170-V172 PolarHBondContact O-N 3.49Å; V172-A174 HydrophobicContact CG1-CB 4.47Å; V172-A174 PolarHBondContact O-N 3.45Å; V172-C175 WeakPolarHBondContact O-CB 3.43Å; V172-C175 PolarHBondContact O-N 2.67Å; V172-C175 PolarHBondContact O-SG 3.47Å; V172-C175 VanDerWaalsContact O-SG 3.33Å; V172-I326 HydrophobicContact CB-CD1 3.96Å; V172-I326 HydrophobicContact CG1-CD1 3.72Å; V172-I326 HydrophobicContact CG2-CD1 4.49Å
173C92.8Very high96.1Very high36 Ų3625.9 Ų25.924%0.24313%0.134CC..THydrogen-bonded Turntrans-54.5-23.5179.854.90000115.5G142 V144 C175 H295G142-C173 CarbonylContact C-O 3.56Å; G142-C173 VanDerWaalsContact CA-O 3.24Å; G142-C173 WeakPolarHBondContact CA-O 3.18Å; V144-C173 WeakPolarHBondContact CG2-O 3.29Å; C173-C175 VanDerWaalsContact C-N 3.33Å; C173-H295 PolarHBondContact O-CE1 3.29Å
174A94.2Very high96.2Very high2 Ų228 Ų282%0.01714%0.143CC..THydrogen-bonded Turntrans-85-3.1176.600000113.7V172 T325 I326 A328 L342V172-A174 HydrophobicContact CG1-CB 4.47Å; V172-A174 PolarHBondContact O-N 3.45Å; A174-T325 CarbonylContact O-C 3.07Å; A174-T325 WeakPolarHBondContact O-CB 3.5Å; A174-T325 PolarHBondContact O-OG1 2.82Å; A174-I326 HydrophobicContact CB-CD1 4.3Å; A174-A328 HydrophobicContact CB-CB 4.48Å; A174-L342 HydrophobicContact CB-CD1 4.3Å
175C95.9Very high96.3Very high0 Ų029.3 Ų29.30%015%0.148CC..SBendtrans-68.8135.1177-69.20000111.3G164 R165 V172 C173 Q177G164-C175 WeakPolarHBondContact O-CA 3.24Å; G164-C175 WeakPolarHBondContact O-CB 3.46Å; G164-C175 PolarHBondContact O-SG 2.91Å; R165-C175 VanDerWaalsContact NH1-C 3.32Å; R165-C175 VanDerWaalsContact NH1-CB 3.26Å; R165-C175 PolarHBondContact NH1-O 2.88Å; R165-C175 VanDerWaalsContact NH1-O 3.08Å; V172-C175 WeakPolarHBondContact O-CB 3.43Å; V172-C175 PolarHBondContact O-N 2.67Å; V172-C175 PolarHBondContact O-SG 3.47Å; V172-C175 VanDerWaalsContact O-SG 3.33Å; C173-C175 VanDerWaalsContact C-N 3.33Å; C175-Q177 PolarHBondContact O-N 3.47Å
176Q96.2Very high96.4Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-56.6123.3179.7-170.7170.4-45.700112.6V144 A146 S161 R165 S178 L269 T325V144-Q176 CarbonylContact O-C 3.52Å; A146-Q176 HydrophobicContact CB-CG 3.71Å; S161-Q176 PolarHBondContact OG-NE2 3.08Å; R165-Q176 WeakPolarHBondContact CD-O 3.27Å; R165-Q176 VanDerWaalsContact NH1-C 3.33Å; R165-Q176 PolarHBondContact NH1-O 2.87Å; Q176-S178 VanDerWaalsContact CG-O 3.24Å; Q176-S178 WeakPolarHBondContact CG-O 3.25Å; Q176-L269 HydrophobicContact CB-CD1 4.3Å; Q176-L269 HydrophobicContact CG-CD1 3.73Å; Q176-T325 HydrophobicContact CB-CG2 4.04Å; Q176-T325 WeakPolarHBondContact CB-OG1 3.47Å; Q176-T325 HydrophobicContact CG-CG2 4.28Å; Q176-T325 PolarHBondContact N-OG1 3.23Å; Q176-T325 VanDerWaalsContact N-OG1 3.12Å
177Q97.5Very high96.5Very high1 Ų136.1 Ų36.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-91.7-30.7177.9-64.2-61.8-26.300113N143 V144 R165 C175 K264 A270N143-Q177 VanDerWaalsContact OD1-CB 3.29Å; N143-Q177 WeakPolarHBondContact OD1-CB 3.31Å; N143-Q177 VanDerWaalsContact OD1-CG 3.26Å; N143-Q177 WeakPolarHBondContact OD1-CG 3.48Å; V144-Q177 PolarHBondContact O-N 3.37Å; R165-Q177 VanDerWaalsContact NH1-CD 3.28Å; C175-Q177 PolarHBondContact O-N 3.47Å; Q177-K264 WeakPolarHBondContact O-CE 3.32Å; Q177-K264 PolarHBondContact O-NZ 3.49Å; Q177-K264 VanDerWaalsContact OE1-CE 3.24Å; Q177-A270 PolarHBondContact O-N 3.06Å
178S98Very high96.6Very high1 Ų136.1 Ų36.11%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-142.9154.5-178.2-42.60000111.8Q145 A146 Q176 A270Q145-S178 PolarHBondContact OE1-OG 3.46Å; A146-S178 PolarHBondContact N-O 3.11Å; Q176-S178 VanDerWaalsContact CG-O 3.24Å; Q176-S178 WeakPolarHBondContact CG-O 3.25Å; S178-A270 CarbonylContact C-O 3.6Å; S178-A270 WeakPolarHBondContact CA-O 3.47Å
179L98.6Very high96.8Very high1 Ų131.7 Ų31.71%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-123.8117.7167.6-179.362.4000109.5A146 L148 Y181 V189 L269 A270 L271 K272 F300A146-L179 HydrophobicContact CB-CD1 4.13Å; A146-L179 WeakPolarHBondContact O-CA 3.21Å; L148-L179 HydrophobicContact CB-CD1 4.1Å; L179-Y181 HydrophobicContact CG-CD1 4.34Å; L179-V189 HydrophobicContact CD2-CG1 4.18Å; L179-L269 HydrophobicContact CB-CD2 4.26Å; L179-A270 PolarHBondContact N-O 2.68Å; L179-L271 HydrophobicContact CB-CD2 3.86Å; L179-L271 HydrophobicContact CD2-CD2 4.31Å; L179-K272 PolarHBondContact O-N 3.13Å; L179-F300 HydrophobicContact CD1-CD2 4.22Å; L179-F300 HydrophobicContact CD1-CE2 4.01Å
180F98.6Very high96.9Very high3 Ų330.4 Ų30.41%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-95.9134.6171.5-61.5-67.6000109.9Q145 A146 I147 L148 V254 K272 Y274 F283 A284 N287Q145-F180 HydrophobicContact CB-CE2 4.05Å; Q145-F180 HydrophobicContact CG-CE2 4.33Å; A146-F180 PolarHBondContact O-N 2.79Å; I147-F180 HydrophobicContact CG1-CB 4.43Å; I147-F180 HydrophobicContact CG1-CD2 4.35Å; L148-F180 PolarHBondContact N-O 3.48Å; F180-V254 HydrophobicContact CE1-CG1 4.05Å; F180-V254 HydrophobicContact CZ-CG1 4.44Å; F180-K272 VanDerWaalsContact CA-O 3.3Å; F180-K272 WeakPolarHBondContact CA-O 3.29Å; F180-K272 HydrophobicContact CD1-CB 3.75Å; F180-K272 HydrophobicContact CD1-CG 4.2Å; F180-K272 HydrophobicContact CE1-CB 3.77Å; F180-K272 HydrophobicContact CE1-CG 4.16Å; F180-Y274 HydrophobicContact CB-CD1 3.96Å; F180-Y274 HydrophobicContact CB-CE1 4.18Å; F180-F283 HydrophobicContact CD1-CB 3.94Å; F180-F283 HydrophobicContact CD1-CD2 4.06Å; F180-F283 HydrophobicContact CE1-CB 3.53Å; F180-F283 HydrophobicContact CE1-CD2 4.18Å; F180-F283 HydrophobicContact CE1-CG 4.26Å; F180-F283 HydrophobicContact CE2-CB 4.3Å; F180-F283 HydrophobicContact CG-CB 4.48Å; F180-F283 HydrophobicContact CZ-CB 3.71Å; F180-A284 HydrophobicContact CD2-CB 3.98Å; F180-A284 HydrophobicContact CE2-CB 3.77Å; F180-N287 WeakPolarHBondContact CZ-ND2 3.15Å
181Y98.7Very high97.1Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-145.6159.8-175.953.8-93.3000112.4L179 Q183 E186 V189 L271 K272 S273 Y274L179-Y181 HydrophobicContact CG-CD1 4.34Å; Y181-Q183 PolarHBondContact O-N 3.17Å; Y181-E186 HydrophobicContact CD2-CB 4.45Å; Y181-E186 HydrophobicContact CE2-CB 3.73Å; Y181-E186 HydrophobicContact CE2-CG 3.76Å; Y181-E186 PolarHBondContact OH-OE2 3.13Å; Y181-V189 HydrophobicContact CD1-CG1 3.91Å; Y181-V189 HydrophobicContact CD2-CB 4.41Å; Y181-V189 HydrophobicContact CD2-CG2 4.13Å; Y181-V189 HydrophobicContact CE1-CG1 4.14Å; Y181-V189 HydrophobicContact CG-CB 4.37Å; Y181-V189 HydrophobicContact CG-CG1 4.15Å; Y181-V189 HydrophobicContact CG-CG2 3.97Å; Y181-L271 HydrophobicContact CE1-CB 3.92Å; Y181-L271 HydrophobicContact CE1-CD2 4.42Å; Y181-K272 PolarHBondContact N-O 3.05Å; Y181-S273 CarbonylContact O-C 3.47Å; Y181-S273 WeakPolarHBondContact O-CA 3.16Å; Y181-Y274 VanDerWaalsContact C-CD1 3.45Å; Y181-Y274 VanDerWaalsContact CA-CE1 3.44Å; Y181-Y274 VanDerWaalsContact O-CD1 3.23Å; Y181-Y274 WeakPolarHBondContact O-CD1 3.29Å; Y181-Y274 PolarHBondContact O-N 3.01Å
182P98.5Very high97.3Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-67.1135.9-179.7-17.333.2000110.5L148 R150 E184 K185 Y274L148-P182 VanDerWaalsContact O-CD 3.28Å; L148-P182 WeakPolarHBondContact O-CD 3.5Å; R150-P182 HydrophobicContact CB-CG 4.45Å; R150-P182 HydrophobicContact CG-CB 3.87Å; R150-P182 HydrophobicContact CG-CG 3.53Å; P182-E184 WeakPolarHBondContact CB-OE1 3.43Å; P182-E184 WeakPolarHBondContact CB-OE2 3.37Å; P182-E184 PolarHBondContact O-N 3.39Å; P182-E184 VanDerWaalsContact O-N 3.16Å; P182-K185 HydrophobicContact CB-CG 4.46Å; P182-K185 HydrophobicContact CG-CD 4.12Å; P182-K185 HydrophobicContact CG-CG 4.49Å; P182-K185 PolarHBondContact O-N 3.03Å; P182-Y274 HydrophobicContact CB-CE2 4.15Å; P182-Y274 HydrophobicContact CG-CE2 4.01Å
183Q97.9Very high97.6Very high113 Ų11332.3 Ų32.353%0.52816%0.161SC..G310 helixtrans-53.7-38.5-177.2-169.8-173.457.300112.6Y181 K185 E186 Y274 D275Y181-Q183 PolarHBondContact O-N 3.17Å; Q183-K185 PolarHBondContact O-N 3.23Å; Q183-E186 WeakPolarHBondContact O-CB 3.26Å; Q183-E186 PolarHBondContact O-N 3.26Å; Q183-Y274 PolarHBondContact N-O 3.03Å; Q183-D275 PolarHBondContact OE1-OD1 3.44Å
184E97.9Very high97.8Very high119 Ų11935.9 Ų35.956%0.55617%0.169SC*.G310 helixtrans-67.4-17.5179.371.9-85.5-162.300114.3R150 P182R150-E184 WeakPolarHBondContact CD-OE1 3.32Å; R150-E184 IonicContact CZ-OE1 2.67Å; R150-E184 IonicContact NE-OE1 2.74Å; R150-E184 PolarHBondContact NE-OE1 2.97Å; R150-E184 IonicContact NE-OE2 2.78Å; R150-E184 IonicContact NH2-OE1 2.78Å; R150-E184 PolarHBondContact NH2-OE1 3.39Å; R150-E184 IonicContact NH2-OE2 2.83Å; R150-E184 PolarHBondContact NH2-OE2 3.48Å; P182-E184 WeakPolarHBondContact CB-OE1 3.43Å; P182-E184 WeakPolarHBondContact CB-OE2 3.37Å; P182-E184 PolarHBondContact O-N 3.39Å; P182-E184 VanDerWaalsContact O-N 3.16Å
185K97.9Very high98Very high27 Ų2739.1 Ų39.112%0.11720%0.196CC..G310 helixtrans-95.60.6176.9-69.8-172170-175.10113.4D149 R150 F152 V154 P182 Q183 I187 E188 V189D149-K185 PolarHBondContact O-NZ 3.3Å; D149-K185 VanDerWaalsContact O-NZ 3.12Å; R150-K185 VanDerWaalsContact O-CE 3.27Å; R150-K185 WeakPolarHBondContact O-CE 3.07Å; R150-K185 PolarHBondContact O-NZ 3.25Å; F152-K185 PolarHBondContact O-NZ 3.16Å; V154-K185 HydrophobicContact CG2-CD 3.78Å; P182-K185 HydrophobicContact CB-CG 4.46Å; P182-K185 HydrophobicContact CG-CD 4.12Å; P182-K185 HydrophobicContact CG-CG 4.49Å; P182-K185 PolarHBondContact O-N 3.03Å; Q183-K185 PolarHBondContact O-N 3.23Å; K185-I187 PolarHBondContact O-N 3.11Å; K185-E188 WeakPolarHBondContact O-CB 3.49Å; K185-E188 PolarHBondContact O-N 2.92Å; K185-E188 VanDerWaalsContact O-N 3.08Å; K185-V189 HydrophobicContact CB-CG2 4.26Å; K185-V189 WeakPolarHBondContact O-CG2 3.46Å; K185-V189 PolarHBondContact O-N 3.31Å
186E98.2Very high98.1Very high39 Ų3941.9 Ų41.918%0.18221%0.208CC..Hα-helixtrans-52.9-50.3-170-179.7165.8106.300113.5Y181 Q183 E188 V189 L190 K250 S273Y181-E186 HydrophobicContact CD2-CB 4.45Å; Y181-E186 HydrophobicContact CE2-CB 3.73Å; Y181-E186 HydrophobicContact CE2-CG 3.76Å; Y181-E186 PolarHBondContact OH-OE2 3.13Å; Q183-E186 WeakPolarHBondContact O-CB 3.26Å; Q183-E186 PolarHBondContact O-N 3.26Å; E186-E188 VanDerWaalsContact C-N 3.31Å; E186-E188 PolarHBondContact O-N 3.34Å; E186-V189 PolarHBondContact O-N 3.25Å; E186-L190 HydrophobicContact CG-CD1 4.09Å; E186-L190 HydrophobicContact CG-CG 4.36Å; E186-L190 VanDerWaalsContact O-CG 3.3Å; E186-L190 WeakPolarHBondContact O-CG 3.23Å; E186-L190 PolarHBondContact O-N 2.93Å; E186-K250 IonicContact OE1-NZ 3.67Å; E186-K250 PolarHBondContact OE1-NZ 3.16Å; E186-K250 WeakPolarHBondContact OE2-CE 3.33Å; E186-K250 IonicContact OE2-NZ 3.5Å; E186-K250 PolarHBondContact OE2-NZ 3.1Å; E186-S273 PolarHBondContact OE2-OG 3.16Å
187I98Very high98.1Very high131 Ų13145.7 Ų45.767%0.67223%0.225SC*.Hα-helixtrans-60-44.9-179.2-63.4172.3000110.7K185 V189 L190 D191K185-I187 PolarHBondContact O-N 3.11Å; I187-V189 VanDerWaalsContact C-N 3.35Å; I187-V189 PolarHBondContact O-N 3.26Å; I187-L190 PolarHBondContact O-N 3.44Å; I187-D191 WeakPolarHBondContact O-CB 3.41Å; I187-D191 PolarHBondContact O-N 3.5Å
188E98.2Very high98.2Very high105 Ų10545.9 Ų45.949%0.49123%0.228SC..Hα-helixtrans-61.8-42.4179.2-166.5-177.617800111.4V154 K185 E186 D191 A192V154-E188 HydrophobicContact CB-CG 3.92Å; V154-E188 HydrophobicContact CG1-CB 4.29Å; V154-E188 HydrophobicContact CG1-CG 3.86Å; V154-E188 VanDerWaalsContact CG2-CD 3.48Å; V154-E188 HydrophobicContact CG2-CG 4.02Å; K185-E188 WeakPolarHBondContact O-CB 3.49Å; K185-E188 PolarHBondContact O-N 2.92Å; K185-E188 VanDerWaalsContact O-N 3.08Å; E186-E188 VanDerWaalsContact C-N 3.31Å; E186-E188 PolarHBondContact O-N 3.34Å; E188-D191 PolarHBondContact O-N 2.81Å; E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.25Å
189V98.5Very high98.2Very high2 Ų246.1 Ų46.11%0.01223%0.23CC..Hα-helixtrans-64.3-46.6178.2172.40000111.3L148 V154 L179 Y181 K185 E186 I187 D191 A192 L193L148-V189 HydrophobicContact CD2-CG2 3.76Å; V154-V189 HydrophobicContact CG1-CB 4.22Å; V154-V189 HydrophobicContact CG1-CG2 3.68Å; L179-V189 HydrophobicContact CD2-CG1 4.18Å; Y181-V189 HydrophobicContact CD1-CG1 3.91Å; Y181-V189 HydrophobicContact CD2-CB 4.41Å; Y181-V189 HydrophobicContact CD2-CG2 4.13Å; Y181-V189 HydrophobicContact CE1-CG1 4.14Å; Y181-V189 HydrophobicContact CG-CB 4.37Å; Y181-V189 HydrophobicContact CG-CG1 4.15Å; Y181-V189 HydrophobicContact CG-CG2 3.97Å; K185-V189 HydrophobicContact CB-CG2 4.26Å; K185-V189 WeakPolarHBondContact O-CG2 3.46Å; K185-V189 PolarHBondContact O-N 3.31Å; E186-V189 PolarHBondContact O-N 3.25Å; I187-V189 VanDerWaalsContact C-N 3.35Å; I187-V189 PolarHBondContact O-N 3.26Å; V189-D191 VanDerWaalsContact C-N 3.34Å; V189-D191 PolarHBondContact O-N 3.21Å; V189-A192 PolarHBondContact O-N 3.25Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.31Å; V189-L193 PolarHBondContact O-N 3.45Å
190L98.4Very high98.2Very high14 Ų1447.1 Ų47.17%0.07324%0.236CC..Hα-helixtrans-64.5-40.1-179.4-61.3179.5000111.4E186 I187 R194 V200 T202 L271E186-L190 HydrophobicContact CG-CD1 4.09Å; E186-L190 HydrophobicContact CG-CG 4.36Å; E186-L190 VanDerWaalsContact O-CG 3.3Å; E186-L190 WeakPolarHBondContact O-CG 3.23Å; E186-L190 PolarHBondContact O-N 2.93Å; I187-L190 PolarHBondContact O-N 3.44Å; L190-R194 WeakPolarHBondContact O-CG 3.45Å; L190-R194 PolarHBondContact O-N 2.83Å; L190-R194 VanDerWaalsContact O-N 3.14Å; L190-V200 HydrophobicContact CB-CG1 4.42Å; L190-V200 HydrophobicContact CD2-CG1 3.74Å; L190-T202 HydrophobicContact CD1-CG2 4.29Å; L190-L271 HydrophobicContact CD2-CD1 3.55Å
191D98.3Very high98.1Very high85 Ų8548.1 Ų48.146%0.45524%0.24SC..Hα-helixtrans-71.5-41.4178.9-72.8-15.6000112.3I187 E188 V189 L193 R194 A195I187-D191 WeakPolarHBondContact O-CB 3.41Å; I187-D191 PolarHBondContact O-N 3.5Å; E188-D191 PolarHBondContact O-N 2.81Å; V189-D191 VanDerWaalsContact C-N 3.34Å; V189-D191 PolarHBondContact O-N 3.21Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.03Å; D191-R194 PolarHBondContact O-N 3.15Å; D191-R194 IonicContact OD1-NH1 2.91Å; D191-R194 PolarHBondContact OD1-NH1 2.68Å; D191-A195 PolarHBondContact O-N 3.16Å
192A98.5Very high98Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-60.5-42.9173.800000111.4V154 E155 A158 E188 V189 R194 A195 K196V154-A192 HydrophobicContact CG1-CB 3.93Å; E155-A192 HydrophobicContact CG-CB 4.47Å; A158-A192 HydrophobicContact CB-CB 3.67Å; E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.25Å; V189-A192 PolarHBondContact O-N 3.25Å; A192-R194 PolarHBondContact O-N 3.23Å; A192-A195 WeakPolarHBondContact O-CB 3.5Å; A192-A195 PolarHBondContact O-N 2.74Å; A192-K196 VanDerWaalsContact O-CG 3.29Å; A192-K196 WeakPolarHBondContact O-CG 3.48Å; A192-K196 PolarHBondContact O-N 2.98Å
193L98.4Very high97.9Very high0 Ų057.2 Ų57.20%029%0.287CS..Hα-helixtrans-61.1-43.2175.6-76.9170.9000112.2A158 V162 V189 D191 A195 K196 Q197 A198 V200 L271A158-L193 HydrophobicContact CB-CD2 4.03Å; A158-L193 HydrophobicContact CB-CG 4.21Å; V162-L193 HydrophobicContact CG2-CD2 4.16Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.31Å; V189-L193 PolarHBondContact O-N 3.45Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.03Å; L193-A195 VanDerWaalsContact C-N 3.34Å; L193-A195 PolarHBondContact O-N 3.33Å; L193-K196 CarbonylContact O-C 3.55Å; L193-K196 PolarHBondContact O-N 3.28Å; L193-K196 VanDerWaalsContact O-N 3.16Å; L193-Q197 PolarHBondContact O-N 2.89Å; L193-A198 HydrophobicContact CB-CB 3.98Å; L193-A198 HydrophobicContact CD2-CB 4.49Å; L193-A198 WeakPolarHBondContact O-CB 3.18Å; L193-A198 PolarHBondContact O-N 3.41Å; L193-V200 HydrophobicContact CB-CG2 4.07Å; L193-L271 HydrophobicContact CD1-CD1 3.67Å; L193-L271 HydrophobicContact CD1-CD2 3.73Å; L193-L271 HydrophobicContact CD1-CG 4.35Å
194R98.2Very high97.8Very high111 Ų11156.1 Ų56.142%0.41928%0.282SS..Hα-helixtrans-60.8-43.5173.9-70.4176-172.4109.85.9111.6L190 D191 A192 K196 Q197 V200L190-R194 WeakPolarHBondContact O-CG 3.45Å; L190-R194 PolarHBondContact O-N 2.83Å; L190-R194 VanDerWaalsContact O-N 3.14Å; D191-R194 PolarHBondContact O-N 3.15Å; D191-R194 IonicContact OD1-NH1 2.91Å; D191-R194 PolarHBondContact OD1-NH1 2.68Å; A192-R194 PolarHBondContact O-N 3.23Å; R194-K196 PolarHBondContact O-N 2.83Å; R194-Q197 PolarHBondContact O-N 3.29Å; R194-V200 HydrophobicContact CG-CB 4.15Å; R194-V200 HydrophobicContact CG-CG2 3.68Å
195A97.9Very high97.7Very high70 Ų7053.8 Ų53.858%0.57928%0.282SS*.Hα-helixtrans-63-27.4177.300000112.7D191 A192 L193 Q197D191-A195 PolarHBondContact O-N 3.16Å; A192-A195 WeakPolarHBondContact O-CB 3.5Å; A192-A195 PolarHBondContact O-N 2.74Å; L193-A195 VanDerWaalsContact C-N 3.34Å; L193-A195 PolarHBondContact O-N 3.33Å; A195-Q197 VanDerWaalsContact C-N 3.33Å
196K97.8Very high97.7Very high58 Ų5854.6 Ų54.625%0.25229%0.288SS..THydrogen-bonded Turntrans-94.825.5174.3-56.2-64.8177.1167.40113.1E155 A158 E159 V162 A192 L193 R194 A198E155-K196 WeakPolarHBondContact OE2-CE 3.19Å; A158-K196 HydrophobicContact CB-CG 4.18Å; E159-K196 HydrophobicContact CB-CD 3.97Å; E159-K196 HydrophobicContact CB-CG 4.33Å; E159-K196 HydrophobicContact CG-CD 4.39Å; E159-K196 IonicContact OE2-NZ 3.72Å; E159-K196 PolarHBondContact OE2-NZ 3.32Å; V162-K196 WeakPolarHBondContact CG1-O 3.31Å; V162-K196 HydrophobicContact CG2-CB 3.91Å; A192-K196 VanDerWaalsContact O-CG 3.29Å; A192-K196 WeakPolarHBondContact O-CG 3.48Å; A192-K196 PolarHBondContact O-N 2.98Å; L193-K196 CarbonylContact O-C 3.55Å; L193-K196 PolarHBondContact O-N 3.28Å; L193-K196 VanDerWaalsContact O-N 3.16Å; R194-K196 PolarHBondContact O-N 2.83Å; K196-A198 PolarHBondContact O-N 2.98Å
197Q97.1Very high97.6Very high79 Ų7952.8 Ų52.837%0.36928%0.28SS..THydrogen-bonded Turntrans66.232.6173.5-50.4179.4-55.600114.7L193 R194 A195 D243 S244 Q245L193-Q197 PolarHBondContact O-N 2.89Å; R194-Q197 PolarHBondContact O-N 3.29Å; A195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-D243 PolarHBondContact NE2-OD2 3.28Å; Q197-S244 CarbonylContact O-C 3.48Å; Q197-S244 VanDerWaalsContact O-CA 3.31Å; Q197-S244 WeakPolarHBondContact O-CA 3.18Å; Q197-Q245 HydrophobicContact CB-CB 4.43Å; Q197-Q245 HydrophobicContact CB-CG 3.88Å; Q197-Q245 PolarHBondContact O-N 3.09Å
198A98Very high97.5Very high6 Ų649 Ų495%0.0526%0.263CS..EExtended strand (participates in β ladder)trans-92.6132.1165.800000111V162 L193 K196 V200 I246 A248V162-A198 HydrophobicContact CG2-CB 4.46Å; L193-A198 HydrophobicContact CB-CB 3.98Å; L193-A198 HydrophobicContact CD2-CB 4.49Å; L193-A198 WeakPolarHBondContact O-CB 3.18Å; L193-A198 PolarHBondContact O-N 3.41Å; K196-A198 PolarHBondContact O-N 2.98Å; A198-V200 HydrophobicContact CB-CG2 4.36Å; A198-V200 PolarHBondContact O-N 3.05Å; A198-I246 WeakPolarHBondContact CA-O 3.43Å; A198-I246 HydrophobicContact CB-CD1 3.95Å; A198-I246 HydrophobicContact CB-CG1 3.56Å; A198-A248 HydrophobicContact CB-CB 4.41Å
199A98.1Very high97.5Very high6 Ų648 Ų485%0.0526%0.257CS..EExtended strand (participates in β ladder)trans-80.4106.7167.200000109.5F201 I240 I246 I247 A248A199-F201 HydrophobicContact CB-CE2 4.11Å; A199-I240 HydrophobicContact CB-CB 3.72Å; A199-I240 HydrophobicContact CB-CG2 3.5Å; A199-I246 PolarHBondContact N-O 3.29Å; A199-I247 CarbonylContact O-C 3.57Å; A199-I247 WeakPolarHBondContact O-CA 3.42Å; A199-A248 PolarHBondContact O-N 2.83Å
200V98Very high97.4Very high22 Ų2247.9 Ų47.913%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-96.8121.7-172.5-1800000111.4L190 L193 R194 A198 T202 A248L190-V200 HydrophobicContact CB-CG1 4.42Å; L190-V200 HydrophobicContact CD2-CG1 3.74Å; L193-V200 HydrophobicContact CB-CG2 4.07Å; R194-V200 HydrophobicContact CG-CB 4.15Å; R194-V200 HydrophobicContact CG-CG2 3.68Å; A198-V200 HydrophobicContact CB-CG2 4.36Å; A198-V200 PolarHBondContact O-N 3.05Å; V200-T202 HydrophobicContact CG1-CG2 4.49Å; V200-A248 CarbonylContact C-O 3.44Å; V200-A248 WeakPolarHBondContact CA-O 3.42Å; V200-A248 HydrophobicContact CG2-CB 4.28Å
201F98Very high97.4Very high23 Ų2348.6 Ų48.610%0.10126%0.258CS..EExtended strand (participates in β ladder)trans-113.2133.6176.6-67.2-93.1000111.6A199 D206 L207 L210 V238 I240 I247 A248 V249 K250A199-F201 HydrophobicContact CB-CE2 4.11Å; F201-D206 HydrophobicContact CD1-CB 3.59Å; F201-D206 HydrophobicContact CE1-CB 4.05Å; F201-L207 HydrophobicContact CB-CD1 3.79Å; F201-L210 HydrophobicContact CD2-CD1 4.02Å; F201-L210 HydrophobicContact CE2-CD1 4.32Å; F201-L210 HydrophobicContact CG-CD1 4.19Å; F201-V238 HydrophobicContact CE1-CB 3.98Å; F201-V238 HydrophobicContact CE1-CG1 4.35Å; F201-V238 HydrophobicContact CE1-CG2 4.3Å; F201-V238 HydrophobicContact CZ-CB 3.97Å; F201-V238 HydrophobicContact CZ-CG2 3.85Å; F201-I240 HydrophobicContact CE2-CG2 3.72Å; F201-I240 HydrophobicContact CZ-CG2 3.68Å; F201-I247 HydrophobicContact CD2-CG2 3.76Å; F201-I247 HydrophobicContact CE2-CG2 3.89Å; F201-A248 PolarHBondContact N-O 3.45Å; F201-V249 HydrophobicContact CB-CG1 4.44Å; F201-K250 PolarHBondContact O-N 2.94Å
202T96.5Very high97.2Very high61 Ų6149.7 Ų49.737%0.37426%0.264SS..  trans-126.5-11178.956.10000113.5L190 V200 K250L190-T202 HydrophobicContact CD1-CG2 4.29Å; V200-T202 HydrophobicContact CG1-CG2 4.49Å; T202-K250 HydrophobicContact CG2-CB 4.04Å; T202-K250 HydrophobicContact CG2-CD 4.2Å
203E96.5Very high97.2Very high130 Ų13050.7 Ų50.761%0.60727%0.27SS*.  trans-91.3126.3-177-62.1-60.6139.500110.5A205 D206 L207E203-A205 PolarHBondContact O-N 2.87Å; E203-D206 PolarHBondContact O-N 3.21Å; E203-L207 WeakPolarHBondContact O-CD1 3.43Å; E203-L207 PolarHBondContact O-N 2.99Å; E203-L207 VanDerWaalsContact O-N 3.17Å
204E95.3Very high97.1Very high91 Ų9151 Ų5143%0.42527%0.272SS..Hα-helixtrans-58.5-28.7-174.1-175.951.3-141.600113.4D206 L207 T208 R211E204-D206 VanDerWaalsContact C-N 3.34Å; E204-D206 PolarHBondContact O-N 3.35Å; E204-L207 PolarHBondContact O-N 3.49Å; E204-T208 WeakPolarHBondContact O-CB 3.18Å; E204-T208 PolarHBondContact O-N 2.94Å; E204-T208 PolarHBondContact O-OG1 3.46Å; E204-T208 PolarHBondContact OE1-OG1 3.44Å; E204-R211 IonicContact OE1-CZ 3.84Å; E204-R211 IonicContact OE1-NH1 3.95Å; E204-R211 PolarHBondContact OE1-NH1 2.99Å; E204-R211 IonicContact OE1-NH2 2.8Å; E204-R211 PolarHBondContact OE1-NH2 2.95Å; E204-R211 IonicContact OE2-NH2 2.78Å
205A95.9Very high97Very high69 Ų6946.3 Ų46.357%0.5725%0.254SS*.Hα-helixtrans-62.7-38.5177.500000112.7E203 K209E203-A205 PolarHBondContact O-N 2.87Å; A205-K209 WeakPolarHBondContact O-CG 3.24Å
206D97Very high96.7Very high44 Ų4447 Ų4724%0.23525%0.248CC..Hα-helixtrans-82.9-33.6177.9-67.3-36.9000111.5F201 E203 E204 T208 K209 L210 V238F201-D206 HydrophobicContact CD1-CB 3.59Å; F201-D206 HydrophobicContact CE1-CB 4.05Å; E203-D206 PolarHBondContact O-N 3.21Å; E204-D206 VanDerWaalsContact C-N 3.34Å; E204-D206 PolarHBondContact O-N 3.35Å; D206-T208 VanDerWaalsContact C-N 3.33Å; D206-T208 PolarHBondContact O-N 3.07Å; D206-K209 PolarHBondContact O-N 3.1Å; D206-K209 IonicContact OD1-NZ 2.7Å; D206-K209 PolarHBondContact OD1-NZ 3.24Å; D206-L210 WeakPolarHBondContact O-CG 3.49Å; D206-L210 PolarHBondContact O-N 2.96Å; D206-V238 HydrophobicContact CB-CG1 4.08Å
207L97.1Very high96.3Very high1 Ų151.9 Ų51.91%0.00528%0.276CS..Hα-helixtrans-58.6-44.3170.8-93.769.2000111.8F201 E203 E204 K209 L210 R211 V249 K250 F260F201-L207 HydrophobicContact CB-CD1 3.79Å; E203-L207 WeakPolarHBondContact O-CD1 3.43Å; E203-L207 PolarHBondContact O-N 2.99Å; E203-L207 VanDerWaalsContact O-N 3.17Å; E204-L207 PolarHBondContact O-N 3.49Å; L207-K209 PolarHBondContact O-N 3.12Å; L207-L210 PolarHBondContact O-N 3.38Å; L207-R211 WeakPolarHBondContact O-CB 3.3Å; L207-R211 PolarHBondContact O-N 3.36Å; L207-V249 HydrophobicContact CD1-CB 4.28Å; L207-V249 HydrophobicContact CD1-CG1 4.41Å; L207-V249 HydrophobicContact CD2-CB 4.43Å; L207-V249 HydrophobicContact CG-CB 4.1Å; L207-V249 HydrophobicContact CG-CG1 4.38Å; L207-K250 WeakPolarHBondContact CD2-O 3.15Å; L207-F260 HydrophobicContact CB-CE2 4.33Å; L207-F260 HydrophobicContact CG-CE2 4.27Å
208T96.3Very high95.7Very high53 Ų5349.2 Ų49.233%0.32527%0.27SS..Hα-helixtrans-58.1-46.9177-63.80000111.5E204 D206 L210 R211 D212E204-T208 WeakPolarHBondContact O-CB 3.18Å; E204-T208 PolarHBondContact O-N 2.94Å; E204-T208 PolarHBondContact O-OG1 3.46Å; E204-T208 PolarHBondContact OE1-OG1 3.44Å; D206-T208 VanDerWaalsContact C-N 3.33Å; D206-T208 PolarHBondContact O-N 3.07Å; T208-L210 PolarHBondContact O-N 3.03Å; T208-R211 WeakPolarHBondContact O-CB 3.35Å; T208-R211 PolarHBondContact O-N 3.49Å; T208-D212 WeakPolarHBondContact O-CB 3.2Å; T208-D212 VanDerWaalsContact O-CG 3.3Å; T208-D212 PolarHBondContact O-N 3.13Å
209K97.4Very high95.1Very high82 Ų8256.7 Ų56.736%0.35730%0.301SS..Hα-helixtrans-60.5-45.3177.4-66.7170.8-169.3163.10112.3A205 D206 L207 T213 A236 V238A205-K209 WeakPolarHBondContact O-CG 3.24Å; D206-K209 PolarHBondContact O-N 3.1Å; D206-K209 IonicContact OD1-NZ 2.7Å; D206-K209 PolarHBondContact OD1-NZ 3.24Å; L207-K209 PolarHBondContact O-N 3.12Å; K209-T213 WeakPolarHBondContact O-CB 3.45Å; K209-T213 PolarHBondContact O-N 3.28Å; K209-T213 VanDerWaalsContact O-N 3.07Å; K209-T213 PolarHBondContact O-OG1 3.07Å; K209-A236 HydrophobicContact CB-CB 4.36Å; K209-A236 WeakPolarHBondContact CB-O 3.11Å; K209-A236 WeakPolarHBondContact CD-O 3.26Å; K209-V238 HydrophobicContact CB-CG1 4.37Å; K209-V238 HydrophobicContact CD-CG1 3.8Å
210L97.5Very high94.7Very high0 Ų058 Ų580%031%0.312CS..Hα-helixtrans-64.2-41.8177.7-74.9167.1000111.2F201 D206 L207 T208 T213 L214 I232 A236 V238 I247 V249 F260F201-L210 HydrophobicContact CD2-CD1 4.02Å; F201-L210 HydrophobicContact CE2-CD1 4.32Å; F201-L210 HydrophobicContact CG-CD1 4.19Å; D206-L210 WeakPolarHBondContact O-CG 3.49Å; D206-L210 PolarHBondContact O-N 2.96Å; L207-L210 PolarHBondContact O-N 3.38Å; T208-L210 PolarHBondContact O-N 3.03Å; L210-T213 PolarHBondContact O-N 2.8Å; L210-L214 WeakPolarHBondContact O-CB 3.38Å; L210-L214 WeakPolarHBondContact O-CD1 3.22Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 3.16Å; L210-I232 HydrophobicContact CD2-CG2 4.17Å; L210-A236 HydrophobicContact CD2-CB 3.86Å; L210-A236 HydrophobicContact CG-CB 4.34Å; L210-V238 HydrophobicContact CD2-CG2 4.06Å; L210-V238 HydrophobicContact CG-CG2 4.4Å; L210-I247 HydrophobicContact CD1-CG2 3.94Å; L210-I247 HydrophobicContact CD2-CD1 4.07Å; L210-V249 HydrophobicContact CD1-CG1 3.78Å; L210-F260 HydrophobicContact CB-CE1 4.37Å; L210-F260 HydrophobicContact CB-CZ 3.89Å
211R96.5Very high94.5Very high30 Ų3058.2 Ų58.211%0.11331%0.312CS..Hα-helixtrans-61.3-50.7178.3-167.4-179-66.1110.1-7.2111E204 L207 T208 T213 L214 F215 E258 L259 F260E204-R211 IonicContact OE1-CZ 3.84Å; E204-R211 IonicContact OE1-NH1 3.95Å; E204-R211 PolarHBondContact OE1-NH1 2.99Å; E204-R211 IonicContact OE1-NH2 2.8Å; E204-R211 PolarHBondContact OE1-NH2 2.95Å; E204-R211 IonicContact OE2-NH2 2.78Å; L207-R211 WeakPolarHBondContact O-CB 3.3Å; L207-R211 PolarHBondContact O-N 3.36Å; T208-R211 WeakPolarHBondContact O-CB 3.35Å; T208-R211 PolarHBondContact O-N 3.49Å; R211-T213 PolarHBondContact O-N 2.9Å; R211-L214 PolarHBondContact O-N 3Å; R211-F215 HydrophobicContact CG-CD2 4.39Å; R211-F215 WeakPolarHBondContact O-CD2 3.34Å; R211-F215 PolarHBondContact O-N 3.28Å; R211-E258 IonicContact CZ-OE1 3.9Å; R211-E258 IonicContact CZ-OE2 2.97Å; R211-E258 IonicContact NE-OE1 3.51Å; R211-E258 PolarHBondContact NE-OE1 2.95Å; R211-E258 IonicContact NE-OE2 3.07Å; R211-E258 IonicContact NH2-OE1 3.32Å; R211-E258 IonicContact NH2-OE2 3.9Å; R211-E258 PolarHBondContact NH2-OE2 3.24Å; R211-L259 HydrophobicContact CG-CB 4.01Å; R211-L259 HydrophobicContact CG-CD1 3.93Å; R211-L259 HydrophobicContact CG-CG 4.49Å; R211-F260 HydrophobicContact CB-CE2 3.82Å; R211-F260 HydrophobicContact CB-CZ 3.85Å; R211-F260 HydrophobicContact CG-CE2 4.22Å
212D95.8Very high94.2Very high108 Ų10861.1 Ų61.158%0.57833%0.334SS*.Hα-helixtrans-65.2-27.7178.7-68.3-13.3000112.7T208T208-D212 WeakPolarHBondContact O-CB 3.2Å; T208-D212 VanDerWaalsContact O-CG 3.3Å; T208-D212 PolarHBondContact O-N 3.13Å
213T97.2Very high94.1Very high21 Ų2161 Ų6113%0.12934%0.339CS..Hα-helixtrans-77.7-41.8177-60.10000111.7K209 L210 R211 N221 M224 A235 A236K209-T213 WeakPolarHBondContact O-CB 3.45Å; K209-T213 PolarHBondContact O-N 3.28Å; K209-T213 VanDerWaalsContact O-N 3.07Å; K209-T213 PolarHBondContact O-OG1 3.07Å; L210-T213 PolarHBondContact O-N 2.8Å; R211-T213 PolarHBondContact O-N 2.9Å; T213-N221 VanDerWaalsContact O-CB 3.31Å; T213-N221 WeakPolarHBondContact O-CB 3.39Å; T213-N221 PolarHBondContact O-ND2 3.42Å; T213-M224 HydrophobicContact CG2-CG 4.06Å; T213-M224 HydrophobicContact CG2-SD 3.73Å; T213-M224 WeakPolarHBondContact O-CG 3.47Å; T213-A235 HydrophobicContact CG2-CB 3.75Å; T213-A236 HydrophobicContact CG2-CB 4.23Å; T213-A236 VanDerWaalsContact OG1-CA 3.25Å; T213-A236 WeakPolarHBondContact OG1-CA 3.47Å; T213-A236 WeakPolarHBondContact OG1-CB 3.32Å
214L96.8Very high94.1Very high6 Ų655.8 Ų55.83%0.03132%0.315CS..Hα-helixtrans-80.6-22-178-69.4166.1000113.1L210 R211 A220 N221 M224 I232 F260 A266 V268L210-L214 WeakPolarHBondContact O-CB 3.38Å; L210-L214 WeakPolarHBondContact O-CD1 3.22Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.38Å; L210-L214 PolarHBondContact O-N 3.16Å; R211-L214 PolarHBondContact O-N 3Å; L214-A220 CarbonylContact O-C 3.04Å; L214-A220 WeakPolarHBondContact O-CA 3.3Å; L214-N221 WeakPolarHBondContact O-CB 3.38Å; L214-N221 PolarHBondContact O-N 3.08Å; L214-M224 HydrophobicContact CD2-CB 4.01Å; L214-M224 HydrophobicContact CD2-CG 4.45Å; L214-I232 HydrophobicContact CD2-CD1 4.48Å; L214-I232 HydrophobicContact CD2-CG2 4.15Å; L214-F260 HydrophobicContact CD1-CD1 4.38Å; L214-F260 HydrophobicContact CD1-CE1 3.71Å; L214-A266 HydrophobicContact CD2-CB 3.95Å; L214-V268 HydrophobicContact CD1-CB 4.26Å; L214-V268 HydrophobicContact CD1-CG1 4.01Å; L214-V268 HydrophobicContact CD1-CG2 3.85Å; L214-V268 HydrophobicContact CD2-CG2 4.24Å
215F95.8Very high94Very high13 Ų1353.7 Ų53.76%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-129.7127.1-176.2-59.5-84.1000112.2R211 K219 L259 F260 K262 K264R211-F215 HydrophobicContact CG-CD2 4.39Å; R211-F215 WeakPolarHBondContact O-CD2 3.34Å; R211-F215 PolarHBondContact O-N 3.28Å; F215-K219 CarbonylContact C-O 3.44Å; F215-K219 VanDerWaalsContact CA-O 3.22Å; F215-K219 WeakPolarHBondContact CA-O 3.32Å; F215-L259 HydrophobicContact CB-CD1 3.99Å; F215-L259 HydrophobicContact CD1-CB 4.49Å; F215-L259 HydrophobicContact CD2-CB 3.81Å; F215-L259 HydrophobicContact CD2-CD1 4.38Å; F215-L259 HydrophobicContact CE2-CB 3.9Å; F215-L259 HydrophobicContact CG-CB 4.13Å; F215-L259 HydrophobicContact CG-CD1 4.21Å; F215-L259 HydrophobicContact CZ-CB 4.29Å; F215-L259 WeakPolarHBondContact CZ-O 3.49Å; F215-F260 HydrophobicContact CE2-CD1 4.39Å; F215-K262 HydrophobicContact CE1-CB 4.18Å; F215-K262 HydrophobicContact CZ-CB 4.47Å; F215-K264 HydrophobicContact CE2-CG 4.4Å; F215-K264 HydrophobicContact CZ-CG 3.81Å
216I92.6Very high93.9Very high85 Ų8551.2 Ų51.244%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-112.4121.3172.5-57.9171.7000107.3G218 K219 N221I216-G218 PolarHBondContact O-N 2.97Å; I216-G218 VanDerWaalsContact O-N 3.17Å; I216-K219 PolarHBondContact N-O 2.78Å; I216-K219 PolarHBondContact O-N 3.49Å; I216-N221 HydrophobicContact CD1-CB 4.07Å; I216-N221 HydrophobicContact CG1-CB 4.09Å
217D88.9Confident93.9Very high159 Ų15952.6 Ų52.685%0.8529%0.292SS*.THydrogen-bonded Turntrans50.638.6-176.3-56.9-40.4000112.8K219D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 2.92Å
218G83.4Confident93.9Very high23 Ų2356.3 Ų56.324%0.23731%0.312CS..THydrogen-bonded Turntrans74.6818000000115.8I216 K262I216-G218 PolarHBondContact O-N 2.97Å; I216-G218 VanDerWaalsContact O-N 3.17Å; G218-K262 PolarHBondContact O-NZ 3.42Å
219K86Confident93.9Very high163 Ų16354 Ų5471%0.70930%0.298SS*.EExtended strand (participates in β ladder)trans-111.2147175.7-63.6177.9-178.5173.60110.9F215 I216 D217 N221F215-K219 CarbonylContact C-O 3.44Å; F215-K219 VanDerWaalsContact CA-O 3.22Å; F215-K219 WeakPolarHBondContact CA-O 3.32Å; I216-K219 PolarHBondContact N-O 2.78Å; I216-K219 PolarHBondContact O-N 3.49Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 2.92Å; K219-N221 PolarHBondContact O-N 2.94Å
220A89.6Confident93.9Very high34 Ų3453.4 Ų53.428%0.28130%0.297SS..EExtended strand (participates in β ladder)trans-54.5130.9177.600000111.6L214 P222L214-A220 CarbonylContact O-C 3.04Å; L214-A220 WeakPolarHBondContact O-CA 3.3Å; A220-P222 VanDerWaalsContact O-CD 3.22Å; A220-P222 WeakPolarHBondContact O-CD 3.46Å
221N94.7Very high93.9Very high26 Ų2655.8 Ų55.814%0.13931%0.311CS..  trans-71113.4-179.4-179.1-6.9000109.8T213 L214 I216 K219 A223 M224T213-N221 VanDerWaalsContact O-CB 3.31Å; T213-N221 WeakPolarHBondContact O-CB 3.39Å; T213-N221 PolarHBondContact O-ND2 3.42Å; L214-N221 WeakPolarHBondContact O-CB 3.38Å; L214-N221 PolarHBondContact O-N 3.08Å; I216-N221 HydrophobicContact CD1-CB 4.07Å; I216-N221 HydrophobicContact CG1-CB 4.09Å; K219-N221 PolarHBondContact O-N 2.94Å; N221-A223 PolarHBondContact O-N 3.5Å; N221-A223 WeakPolarHBondContact OD1-CB 3.42Å; N221-A223 PolarHBondContact OD1-N 3.32Å; N221-M224 HydrophobicContact CB-CB 4.36Å; N221-M224 HydrophobicContact CB-CG 4.12Å; N221-M224 PolarHBondContact O-N 2.83Å
222P91.3Very high94Very high84 Ų8454.4 Ų54.455%0.54531%0.306SS..THydrogen-bonded Turntrans-60.5-20-177.4-24.135.3000114.8A220A220-P222 VanDerWaalsContact O-CD 3.22Å; A220-P222 WeakPolarHBondContact O-CD 3.46Å
223A94.1Very high94Very high59 Ų5949.4 Ų49.449%0.48828%0.28SS..THydrogen-bonded Turntrans-75.9-26.1176.700000112.8N221 Q227N221-A223 PolarHBondContact O-N 3.5Å; N221-A223 WeakPolarHBondContact OD1-CB 3.42Å; N221-A223 PolarHBondContact OD1-N 3.32Å; A223-Q227 WeakPolarHBondContact O-CG 3.33Å
224M95.8Very high94.1Very high20 Ų2056.1 Ų56.110%0.09931%0.309CS..THydrogen-bonded Turntrans-93.9-11.9-177.1-61.9-62.6100.100113.4T213 L214 N221 G226 Q227 I232 A235T213-M224 HydrophobicContact CG2-CG 4.06Å; T213-M224 HydrophobicContact CG2-SD 3.73Å; T213-M224 WeakPolarHBondContact O-CG 3.47Å; L214-M224 HydrophobicContact CD2-CB 4.01Å; L214-M224 HydrophobicContact CD2-CG 4.45Å; N221-M224 HydrophobicContact CB-CB 4.36Å; N221-M224 HydrophobicContact CB-CG 4.12Å; N221-M224 PolarHBondContact O-N 2.83Å; M224-G226 PolarHBondContact O-N 3.43Å; M224-Q227 PolarHBondContact O-N 2.94Å; M224-I232 HydrophobicContact SD-CG1 4.1Å; M224-A235 HydrophobicContact CE-CB 4.07Å; M224-A235 HydrophobicContact SD-CB 3.91Å
225I93.6Very high94.1Very high48 Ų4858.5 Ų58.525%0.24633%0.33CS..THydrogen-bonded Turntrans-59.7123.5179-64179000110.3I171 Q227 M265I171-I225 HydrophobicContact CD1-CG2 3.9Å; I171-I225 HydrophobicContact CG1-CG2 3.8Å; I225-Q227 PolarHBondContact O-N 3.38Å; I225-Q227 PolarHBondContact O-NE2 3.01Å; I225-M265 WeakPolarHBondContact CA-O 3.18Å; I225-M265 HydrophobicContact CD1-SD 4.33Å; I225-M265 HydrophobicContact CG1-CB 4.3Å; I225-M265 HydrophobicContact CG2-CB 4.01Å; I225-M265 HydrophobicContact CG2-CE 4.16Å
226G93.8Very high94.1Very high17 Ų1758.4 Ų58.418%0.17533%0.332CS..THydrogen-bonded Turntrans63.917177.800000115.5N169 M224 M265N169-G226 VanDerWaalsContact CB-O 3.31Å; N169-G226 WeakPolarHBondContact CB-O 3.46Å; N169-G226 PolarHBondContact ND2-O 3.38Å; M224-G226 PolarHBondContact O-N 3.43Å; G226-M265 PolarHBondContact N-O 2.93Å
227Q96.7Very high94.4Very high72 Ų7257 Ų5734%0.33634%0.338SS..  trans-79.1153.8175.8-61.7-53.5-61.600111.6A223 M224 I225 V231 I232 P267A223-Q227 WeakPolarHBondContact O-CG 3.33Å; M224-Q227 PolarHBondContact O-N 2.94Å; I225-Q227 PolarHBondContact O-N 3.38Å; I225-Q227 PolarHBondContact O-NE2 3.01Å; Q227-V231 HydrophobicContact CB-CB 4.22Å; Q227-V231 HydrophobicContact CB-CG1 4.13Å; Q227-V231 HydrophobicContact CG-CG1 4.29Å; Q227-I232 HydrophobicContact CB-CD1 4.44Å; Q227-I232 HydrophobicContact CB-CG1 4.1Å; Q227-P267 WeakPolarHBondContact O-CD 3.2Å; Q227-P267 WeakPolarHBondContact O-CG 3.47Å
228D97Very high94.7Very high80 Ų8050 Ų5043%0.42830%0.301SS..  trans-64.5150.3174.5-60.8-57.2000111.1N169 Q230 V231 I232N169-D228 PolarHBondContact ND2-OD1 2.73Å; D228-Q230 PolarHBondContact O-N 2.79Å; D228-Q230 VanDerWaalsContact O-N 3.14Å; D228-V231 HydrophobicContact CB-CG2 4.26Å; D228-V231 WeakPolarHBondContact O-CB 3.4Å; D228-V231 PolarHBondContact O-N 3.06Å; D228-I232 PolarHBondContact O-N 3.09Å
229P97.5Very high95.3Very high5 Ų557.8 Ų57.83%0.03233%0.331CS..Hα-helixtrans-51.5-39.6179.1-27.434.9000113.4V231 I232 A233 I240 Q245 I247 P267P229-V231 VanDerWaalsContact C-N 3.35Å; P229-V231 PolarHBondContact O-N 2.74Å; P229-I232 PolarHBondContact O-N 3.47Å; P229-A233 WeakPolarHBondContact O-CB 3.44Å; P229-A233 PolarHBondContact O-N 2.75Å; P229-I240 HydrophobicContact CB-CD1 3.75Å; P229-I240 WeakPolarHBondContact O-CD1 3.41Å; P229-Q245 WeakPolarHBondContact CG-O 3.48Å; P229-I247 HydrophobicContact CB-CG1 4.27Å; P229-P267 HydrophobicContact CB-CG 4.48Å; P229-P267 HydrophobicContact CG-CB 4.11Å; P229-P267 HydrophobicContact CG-CG 3.73Å
230Q97.4Very high95.8Very high68 Ų6851.5 Ų51.532%0.31831%0.305SS..Hα-helixtrans-65.7-37.4-178.9-69.17120.600111.9D228 A233 E234 I240 E242 S244D228-Q230 PolarHBondContact O-N 2.79Å; D228-Q230 VanDerWaalsContact O-N 3.14Å; Q230-A233 PolarHBondContact O-N 2.96Å; Q230-E234 WeakPolarHBondContact O-CB 3.35Å; Q230-E234 PolarHBondContact O-N 2.97Å; Q230-I240 HydrophobicContact CG-CD1 4.18Å; Q230-I240 HydrophobicContact CG-CG1 4.45Å; Q230-E242 PolarHBondContact NE2-O 2.51Å; Q230-E242 VanDerWaalsContact NE2-O 3.1Å; Q230-S244 PolarHBondContact NE2-O 2.86Å
231V97.6Very high96.2Very high51 Ų5153.5 Ų53.531%0.30932%0.315SS..Hα-helixtrans-67.4-40.2176.9176.50000110.6Q227 D228 P229 A235Q227-V231 HydrophobicContact CB-CB 4.22Å; Q227-V231 HydrophobicContact CB-CG1 4.13Å; Q227-V231 HydrophobicContact CG-CG1 4.29Å; D228-V231 HydrophobicContact CB-CG2 4.26Å; D228-V231 WeakPolarHBondContact O-CB 3.4Å; D228-V231 PolarHBondContact O-N 3.06Å; P229-V231 VanDerWaalsContact C-N 3.35Å; P229-V231 PolarHBondContact O-N 2.74Å; V231-A235 WeakPolarHBondContact O-CB 3.46Å; V231-A235 PolarHBondContact O-N 3.01Å
232I97.8Very high96.2Very high0 Ų061.1 Ų61.10%035%0.35CS..Hα-helixtrans-66.5-43.8176.4-64168.8000110.5L210 L214 M224 Q227 D228 P229 A235 A236 I247 A266 P267 V268L210-I232 HydrophobicContact CD2-CG2 4.17Å; L214-I232 HydrophobicContact CD2-CD1 4.48Å; L214-I232 HydrophobicContact CD2-CG2 4.15Å; M224-I232 HydrophobicContact SD-CG1 4.1Å; Q227-I232 HydrophobicContact CB-CD1 4.44Å; Q227-I232 HydrophobicContact CB-CG1 4.1Å; D228-I232 PolarHBondContact O-N 3.09Å; P229-I232 PolarHBondContact O-N 3.47Å; I232-A235 PolarHBondContact O-N 3.22Å; I232-A236 WeakPolarHBondContact O-CB 3.46Å; I232-A236 PolarHBondContact O-N 2.9Å; I232-I247 HydrophobicContact CB-CD1 4.21Å; I232-I247 HydrophobicContact CG2-CD1 3.94Å; I232-A266 HydrophobicContact CD1-CB 3.86Å; I232-P267 HydrophobicContact CD1-CG 4.02Å; I232-V268 HydrophobicContact CD1-CG2 4.37Å
233A97.5Very high96.4Very high3 Ų361.3 Ų61.33%0.02535%0.347CS..Hα-helixtrans-62.6-44.6178.100000112P229 Q230 A236 G237 V238 I240P229-A233 WeakPolarHBondContact O-CB 3.44Å; P229-A233 PolarHBondContact O-N 2.75Å; Q230-A233 PolarHBondContact O-N 2.96Å; A233-A236 PolarHBondContact O-N 3.39Å; A233-G237 PolarHBondContact O-N 3.05Å; A233-V238 CarbonylContact C-O 3.58Å; A233-V238 HydrophobicContact CB-CG2 3.89Å; A233-V238 PolarHBondContact O-N 2.91Å; A233-I240 HydrophobicContact CB-CB 4.44Å; A233-I240 HydrophobicContact CB-CD1 3.81Å; A233-I240 HydrophobicContact CB-CG1 3.79Å; A233-I240 HydrophobicContact CB-CG2 3.89Å
234E97.4Very high96.5Very high162 Ų16258.7 Ų58.776%0.75732%0.324SS*.Hα-helixtrans-61.1-45174.9-174.8179-175.100111.4Q230 A236 G237Q230-E234 WeakPolarHBondContact O-CB 3.35Å; Q230-E234 PolarHBondContact O-N 2.97Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.43Å; E234-G237 PolarHBondContact O-N 3.42Å
235A97.3Very high96.6Very high56 Ų5661.7 Ų61.746%0.46334%0.338SS..Hα-helixtrans-63.4-34.8177.600000112.8T213 M224 V231 I232T213-A235 HydrophobicContact CG2-CB 3.75Å; M224-A235 HydrophobicContact CE-CB 4.07Å; M224-A235 HydrophobicContact SD-CB 3.91Å; V231-A235 WeakPolarHBondContact O-CB 3.46Å; V231-A235 PolarHBondContact O-N 3.01Å; I232-A235 PolarHBondContact O-N 3.22Å
236A97.1Very high96.8Very high11 Ų1159.4 Ų59.49%0.09133%0.326CS..Hα-helixtrans-82.7-14.7177.100000113.8K209 L210 T213 I232 A233 E234 V238K209-A236 HydrophobicContact CB-CB 4.36Å; K209-A236 WeakPolarHBondContact CB-O 3.11Å; K209-A236 WeakPolarHBondContact CD-O 3.26Å; L210-A236 HydrophobicContact CD2-CB 3.86Å; L210-A236 HydrophobicContact CG-CB 4.34Å; T213-A236 HydrophobicContact CG2-CB 4.23Å; T213-A236 VanDerWaalsContact OG1-CA 3.25Å; T213-A236 WeakPolarHBondContact OG1-CA 3.47Å; T213-A236 WeakPolarHBondContact OG1-CB 3.32Å; I232-A236 WeakPolarHBondContact O-CB 3.46Å; I232-A236 PolarHBondContact O-N 2.9Å; A233-A236 PolarHBondContact O-N 3.39Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.43Å; A236-V238 HydrophobicContact CB-CG2 4.21Å
237G96.9Very high97.1Very high55 Ų5558.6 Ų58.657%0.56732%0.318SS*.THydrogen-bonded Turntrans68.840.7-173.900000112.9A233 E234A233-G237 PolarHBondContact O-N 3.05Å; E234-G237 PolarHBondContact O-N 3.42Å
238V96.6Very high97.1Very high13 Ų1355.1 Ų55.18%0.07930%0.302CS..  trans-120.3152.8171.5-59.50000110.1F201 D206 K209 L210 A233 A236F201-V238 HydrophobicContact CE1-CB 3.98Å; F201-V238 HydrophobicContact CE1-CG1 4.35Å; F201-V238 HydrophobicContact CE1-CG2 4.3Å; F201-V238 HydrophobicContact CZ-CB 3.97Å; F201-V238 HydrophobicContact CZ-CG2 3.85Å; D206-V238 HydrophobicContact CB-CG1 4.08Å; K209-V238 HydrophobicContact CB-CG1 4.37Å; K209-V238 HydrophobicContact CD-CG1 3.8Å; L210-V238 HydrophobicContact CD2-CG2 4.06Å; L210-V238 HydrophobicContact CG-CG2 4.4Å; A233-V238 CarbonylContact C-O 3.58Å; A233-V238 HydrophobicContact CB-CG2 3.89Å; A233-V238 PolarHBondContact O-N 2.91Å; A236-V238 HydrophobicContact CB-CG2 4.21Å
239E96Very high97.2Very high187 Ų18751.3 Ų51.387%0.87428%0.282SS*.  trans-99.9137.4177.9-66.8-177.417800110.4
240I97.1Very high97.2Very high31 Ų3153.5 Ų53.516%0.15929%0.29CS..  trans-133.6154.3174.665.8171.6000110.4A199 F201 P229 Q230 A233A199-I240 HydrophobicContact CB-CB 3.72Å; A199-I240 HydrophobicContact CB-CG2 3.5Å; F201-I240 HydrophobicContact CE2-CG2 3.72Å; F201-I240 HydrophobicContact CZ-CG2 3.68Å; P229-I240 HydrophobicContact CB-CD1 3.75Å; P229-I240 WeakPolarHBondContact O-CD1 3.41Å; Q230-I240 HydrophobicContact CG-CD1 4.18Å; Q230-I240 HydrophobicContact CG-CG1 4.45Å; A233-I240 HydrophobicContact CB-CB 4.44Å; A233-I240 HydrophobicContact CB-CD1 3.81Å; A233-I240 HydrophobicContact CB-CG1 3.79Å; A233-I240 HydrophobicContact CB-CG2 3.89Å
241P96.4Very high97.2Very high76 Ų7650.4 Ų50.449%0.49428%0.277SS..  trans-55.8141.9171.2-2533.3000112.8D243 S244P241-D243 PolarHBondContact O-N 2.98Å; P241-D243 VanDerWaalsContact O-N 3.16Å; P241-S244 WeakPolarHBondContact CD-OG 3.25Å; P241-S244 VanDerWaalsContact O-CB 3.27Å; P241-S244 WeakPolarHBondContact O-CB 3.39Å; P241-S244 PolarHBondContact O-N 3.49Å; P241-S244 VanDerWaalsContact O-N 3.07Å; P241-S244 PolarHBondContact O-OG 3.16Å
242E94.7Very high97Very high186 Ų18654.2 Ų54.287%0.86930%0.295SS*.THydrogen-bonded Turntrans-59.5-28.7-176.4-69.9-174.5171.100113.7Q230Q230-E242 PolarHBondContact NE2-O 2.51Å; Q230-E242 VanDerWaalsContact NE2-O 3.1Å
243D95.7Very high96.9Very high88 Ų8855.4 Ų55.447%0.47131%0.305SS..THydrogen-bonded Turntrans-91.82.9-178.570.4-38.2000113.9Q197 P241 Q245Q197-D243 PolarHBondContact NE2-OD2 3.28Å; P241-D243 PolarHBondContact O-N 2.98Å; P241-D243 VanDerWaalsContact O-N 3.16Å; D243-Q245 PolarHBondContact O-N 2.95Å; D243-Q245 PolarHBondContact O-NE2 2.78Å; D243-Q245 VanDerWaalsContact O-NE2 3.13Å
244S97.3Very high96.7Very high3 Ų355.9 Ų55.92%0.02131%0.308CS..  trans-57.4125.5-179.5-570000111.3Q197 Q230 P241Q197-S244 CarbonylContact O-C 3.48Å; Q197-S244 VanDerWaalsContact O-CA 3.31Å; Q197-S244 WeakPolarHBondContact O-CA 3.18Å; Q230-S244 PolarHBondContact NE2-O 2.86Å; P241-S244 WeakPolarHBondContact CD-OG 3.25Å; P241-S244 VanDerWaalsContact O-CB 3.27Å; P241-S244 WeakPolarHBondContact O-CB 3.39Å; P241-S244 PolarHBondContact O-N 3.49Å; P241-S244 VanDerWaalsContact O-N 3.07Å; P241-S244 PolarHBondContact O-OG 3.16Å
245Q97.5Very high96.3Very high83 Ų8348.2 Ų48.239%0.38827%0.272SS..  trans-90.6-28.2176.8-61.6-60.4-64.700112.5V162 Q197 P229 D243V162-Q245 HydrophobicContact CG1-CB 4.01Å; Q197-Q245 HydrophobicContact CB-CB 4.43Å; Q197-Q245 HydrophobicContact CB-CG 3.88Å; Q197-Q245 PolarHBondContact O-N 3.09Å; P229-Q245 WeakPolarHBondContact CG-O 3.48Å; D243-Q245 PolarHBondContact O-N 2.95Å; D243-Q245 PolarHBondContact O-NE2 2.78Å; D243-Q245 VanDerWaalsContact O-NE2 3.13Å
246I98.2Very high95.8Very high0 Ų050.2 Ų50.20%028%0.282CS..EExtended strand (participates in β ladder)trans-145.5163.8177.666.9166.9000111.1V162 R165 A198 A199 P267 L269V162-I246 HydrophobicContact CB-CD1 4.47Å; V162-I246 HydrophobicContact CG2-CD1 3.83Å; V162-I246 HydrophobicContact CG2-CG1 4.23Å; R165-I246 HydrophobicContact CB-CD1 4.38Å; R165-I246 HydrophobicContact CB-CG2 3.95Å; R165-I246 HydrophobicContact CG-CB 4.38Å; R165-I246 HydrophobicContact CG-CD1 4.49Å; R165-I246 HydrophobicContact CG-CG2 3.86Å; A198-I246 WeakPolarHBondContact CA-O 3.43Å; A198-I246 HydrophobicContact CB-CD1 3.95Å; A198-I246 HydrophobicContact CB-CG1 3.56Å; A199-I246 PolarHBondContact N-O 3.29Å; I246-P267 CarbonylContact C-O 3.44Å; I246-P267 VanDerWaalsContact CA-O 3.32Å; I246-P267 WeakPolarHBondContact CA-O 3.25Å; I246-P267 WeakPolarHBondContact CB-O 3.41Å; I246-P267 HydrophobicContact CG2-CB 4.23Å; I246-L269 HydrophobicContact CD1-CB 4.19Å; I246-L269 HydrophobicContact CD1-CD2 4.19Å
247I98.6Very high95.5Very high0 Ų057.7 Ų57.70%032%0.316CS..EExtended strand (participates in β ladder)trans-104.1131.8165.3-59.6173.6000107.8A199 F201 L210 P229 I232 V249 P267 V268 L269A199-I247 CarbonylContact O-C 3.57Å; A199-I247 WeakPolarHBondContact O-CA 3.42Å; F201-I247 HydrophobicContact CD2-CG2 3.76Å; F201-I247 HydrophobicContact CE2-CG2 3.89Å; L210-I247 HydrophobicContact CD1-CG2 3.94Å; L210-I247 HydrophobicContact CD2-CD1 4.07Å; P229-I247 HydrophobicContact CB-CG1 4.27Å; I232-I247 HydrophobicContact CB-CD1 4.21Å; I232-I247 HydrophobicContact CG2-CD1 3.94Å; I247-V249 HydrophobicContact CG2-CG1 4.15Å; I247-P267 PolarHBondContact N-O 2.74Å; I247-V268 HydrophobicContact CB-CG2 4.3Å; I247-V268 CarbonylContact O-C 3.42Å; I247-V268 WeakPolarHBondContact O-CA 3.36Å; I247-L269 PolarHBondContact O-N 3.05Å
248A98.4Very high95.3Very high0 Ų055.8 Ų55.80%029%0.292CS..EExtended strand (participates in β ladder)trans-117.2130.5174.500000110.1A198 A199 V200 F201 L269 L271A198-A248 HydrophobicContact CB-CB 4.41Å; A199-A248 PolarHBondContact O-N 2.83Å; V200-A248 CarbonylContact C-O 3.44Å; V200-A248 WeakPolarHBondContact CA-O 3.42Å; V200-A248 HydrophobicContact CG2-CB 4.28Å; F201-A248 PolarHBondContact N-O 3.45Å; A248-L269 CarbonylContact C-O 3.46Å; A248-L269 VanDerWaalsContact CA-O 3.28Å; A248-L269 WeakPolarHBondContact CA-O 3.38Å; A248-L269 HydrophobicContact CB-CB 4.47Å; A248-L271 HydrophobicContact CB-CD1 3.83Å; A248-L271 HydrophobicContact CB-CG 4.15Å
249V98.3Very high95.3Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-121.4125.2-175-64.10000110.3F201 L207 L210 I247 V251 F260 V268 L269 A270 L271F201-V249 HydrophobicContact CB-CG1 4.44Å; L207-V249 HydrophobicContact CD1-CB 4.28Å; L207-V249 HydrophobicContact CD1-CG1 4.41Å; L207-V249 HydrophobicContact CD2-CB 4.43Å; L207-V249 HydrophobicContact CG-CB 4.1Å; L207-V249 HydrophobicContact CG-CG1 4.38Å; L210-V249 HydrophobicContact CD1-CG1 3.78Å; I247-V249 HydrophobicContact CG2-CG1 4.15Å; V249-V251 HydrophobicContact CG2-CG1 4.34Å; V249-F260 HydrophobicContact CG1-CE1 4.34Å; V249-F260 HydrophobicContact CG1-CZ 4.24Å; V249-F260 HydrophobicContact CG2-CB 4.36Å; V249-F260 HydrophobicContact CG2-CD1 3.73Å; V249-F260 HydrophobicContact CG2-CD2 4.01Å; V249-F260 HydrophobicContact CG2-CE1 3.89Å; V249-F260 HydrophobicContact CG2-CE2 4.19Å; V249-F260 HydrophobicContact CG2-CG 3.8Å; V249-F260 HydrophobicContact CG2-CZ 4.13Å; V249-V268 HydrophobicContact CG2-CG1 4.4Å; V249-L269 PolarHBondContact N-O 3.39Å; V249-A270 CarbonylContact O-C 3.51Å; V249-L271 WeakPolarHBondContact O-CB 3.27Å; V249-L271 PolarHBondContact O-N 2.89Å
250K98.1Very high95.3Very high50 Ų5048.4 Ų48.422%0.21726%0.258CS..EExtended strand (participates in β ladder)trans-83.9114.2176.4-175.3-174.4170.4-173.90110.6E186 F201 T202 L207 L271E186-K250 IonicContact OE1-NZ 3.67Å; E186-K250 PolarHBondContact OE1-NZ 3.16Å; E186-K250 WeakPolarHBondContact OE2-CE 3.33Å; E186-K250 IonicContact OE2-NZ 3.5Å; E186-K250 PolarHBondContact OE2-NZ 3.1Å; F201-K250 PolarHBondContact O-N 2.94Å; T202-K250 HydrophobicContact CG2-CB 4.04Å; T202-K250 HydrophobicContact CG2-CD 4.2Å; L207-K250 WeakPolarHBondContact CD2-O 3.15Å; K250-L271 WeakPolarHBondContact CA-O 3.28Å; K250-L271 HydrophobicContact CB-CB 4.49Å
251V97Very high95.2Very high4 Ų447 Ų472%0.02425%0.25CS..  trans-103.3154.7-178.1-59.70000111.4V249 E258 F260 L271 K272V249-V251 HydrophobicContact CG2-CG1 4.34Å; V251-E258 HydrophobicContact CB-CG 4.06Å; V251-E258 HydrophobicContact CG1-CG 3.9Å; V251-F260 HydrophobicContact CG1-CB 4.01Å; V251-F260 HydrophobicContact CG1-CD2 3.94Å; V251-F260 HydrophobicContact CG1-CG 4.33Å; V251-L271 PolarHBondContact N-O 3.41Å; V251-K272 HydrophobicContact CG2-CB 4.15Å; V251-K272 HydrophobicContact CG2-CD 4.49Å; V251-K272 WeakPolarHBondContact O-CD 3.33Å
252D94.1Very high95.1Very high130 Ų13045.8 Ų45.870%0.69524%0.238SC*.SBendtrans-100.1-20.9179.2-71.1-32.1000113.4K272D252-K272 WeakPolarHBondContact O-CE 3.41Å
253A94.5Very high95Very high25 Ų2538 Ų3821%0.20720%0.201CC..  trans-122166-17700000112.1E257 E258A253-E257 HydrophobicContact CB-CB 4.06Å; A253-E258 HydrophobicContact CB-CB 4.24Å
254V92.8Very high94.9Very high14 Ų1434.1 Ų34.19%0.08518%0.18CC..  trans-128.2174.5176.3-65.40000110F180 K272 F283 E286F180-V254 HydrophobicContact CE1-CG1 4.05Å; F180-V254 HydrophobicContact CZ-CG1 4.44Å; V254-K272 HydrophobicContact CG1-CG 4.34Å; V254-F283 HydrophobicContact CG1-CB 3.97Å; V254-F283 HydrophobicContact CG1-CD1 4.11Å; V254-F283 HydrophobicContact CG1-CD2 4.47Å; V254-F283 HydrophobicContact CG1-CG 3.94Å; V254-F283 HydrophobicContact CG2-CD1 3.74Å; V254-F283 HydrophobicContact CG2-CE1 4.26Å; V254-F283 HydrophobicContact CG2-CG 4.37Å; V254-E286 VanDerWaalsContact CG2-OE2 3.27Å; V254-E286 WeakPolarHBondContact CG2-OE2 3.38Å
255G89Confident94.7Very high1 Ų135.9 Ų35.91%0.0119%0.188CC..G310 helixtrans65-145.4176.500000113.1E257 E258 N287 L290G255-E257 PolarHBondContact O-N 2.65Å; G255-E258 PolarHBondContact O-N 2.87Å; G255-N287 PolarHBondContact N-OD1 3.48Å; G255-L290 WeakPolarHBondContact O-CD2 3.37Å
256S86.8Confident94.7Very high97 Ų9732 Ų3268%0.67817%0.17SC*.G310 helixtrans-70-12.9-173.653.10000114.8E258S256-E258 VanDerWaalsContact C-N 3.35Å
257E91.3Very high94.6Very high169 Ų16932 Ų3279%0.7917%0.17SC*.G310 helixtrans-77.1-21.4-178.6-62.5-167.8167.500112.9A253 G255A253-E257 HydrophobicContact CB-CB 4.06Å; G255-E257 PolarHBondContact O-N 2.65Å
258E93.7Very high94.6Very high15 Ų1532 Ų327%0.0717%0.17CC..  trans-124.8124.2-178176.755-97.100111.7R211 V251 A253 G255 S256 F260 C261R211-E258 IonicContact CZ-OE1 3.9Å; R211-E258 IonicContact CZ-OE2 2.97Å; R211-E258 IonicContact NE-OE1 3.51Å; R211-E258 PolarHBondContact NE-OE1 2.95Å; R211-E258 IonicContact NE-OE2 3.07Å; R211-E258 IonicContact NH2-OE1 3.32Å; R211-E258 IonicContact NH2-OE2 3.9Å; R211-E258 PolarHBondContact NH2-OE2 3.24Å; V251-E258 HydrophobicContact CB-CG 4.06Å; V251-E258 HydrophobicContact CG1-CG 3.9Å; A253-E258 HydrophobicContact CB-CB 4.24Å; G255-E258 PolarHBondContact O-N 2.87Å; S256-E258 VanDerWaalsContact C-N 3.35Å; E258-F260 VanDerWaalsContact C-N 3.34Å; E258-F260 HydrophobicContact CG-CB 4.05Å; E258-F260 PolarHBondContact O-N 3.33Å; E258-F260 VanDerWaalsContact OE1-CD2 3.22Å; E258-F260 WeakPolarHBondContact OE1-CD2 3.26Å; E258-F260 PolarHBondContact OE1-N 3.47Å; E258-C261 VanDerWaalsContact O-CB 3.3Å; E258-C261 WeakPolarHBondContact O-CB 3.31Å; E258-C261 PolarHBondContact O-N 3.44Å
259L94.8Very high94.6Very high44 Ų4432 Ų3223%0.2317%0.17CC..G310 helixtrans-69.2-32-179.3-69.7177.8000112.4R211 F215 C261 K262R211-L259 HydrophobicContact CG-CB 4.01Å; R211-L259 HydrophobicContact CG-CD1 3.93Å; R211-L259 HydrophobicContact CG-CG 4.49Å; F215-L259 HydrophobicContact CB-CD1 3.99Å; F215-L259 HydrophobicContact CD1-CB 4.49Å; F215-L259 HydrophobicContact CD2-CB 3.81Å; F215-L259 HydrophobicContact CD2-CD1 4.38Å; F215-L259 HydrophobicContact CE2-CB 3.9Å; F215-L259 HydrophobicContact CG-CB 4.13Å; F215-L259 HydrophobicContact CG-CD1 4.21Å; F215-L259 HydrophobicContact CZ-CB 4.29Å; F215-L259 WeakPolarHBondContact CZ-O 3.49Å; L259-C261 PolarHBondContact O-N 3.44Å; L259-C261 VanDerWaalsContact O-N 3.1Å; L259-K262 HydrophobicContact CD2-CD 4.26Å; L259-K262 WeakPolarHBondContact O-CB 3.48Å; L259-K262 PolarHBondContact O-N 2.83Å
260F96.8Very high94.6Very high0 Ų032 Ų320%017%0.171CC..G310 helixtrans-61.9-16.6175.4-70.9-67.6000113.5L207 L210 R211 L214 F215 V249 V251 E258 K262 K264 V268 A270L207-F260 HydrophobicContact CB-CE2 4.33Å; L207-F260 HydrophobicContact CG-CE2 4.27Å; L210-F260 HydrophobicContact CB-CE1 4.37Å; L210-F260 HydrophobicContact CB-CZ 3.89Å; R211-F260 HydrophobicContact CB-CE2 3.82Å; R211-F260 HydrophobicContact CB-CZ 3.85Å; R211-F260 HydrophobicContact CG-CE2 4.22Å; L214-F260 HydrophobicContact CD1-CD1 4.38Å; L214-F260 HydrophobicContact CD1-CE1 3.71Å; F215-F260 HydrophobicContact CE2-CD1 4.39Å; V249-F260 HydrophobicContact CG1-CE1 4.34Å; V249-F260 HydrophobicContact CG1-CZ 4.24Å; V249-F260 HydrophobicContact CG2-CB 4.36Å; V249-F260 HydrophobicContact CG2-CD1 3.73Å; V249-F260 HydrophobicContact CG2-CD2 4.01Å; V249-F260 HydrophobicContact CG2-CE1 3.89Å; V249-F260 HydrophobicContact CG2-CE2 4.19Å; V249-F260 HydrophobicContact CG2-CG 3.8Å; V249-F260 HydrophobicContact CG2-CZ 4.13Å; V251-F260 HydrophobicContact CG1-CB 4.01Å; V251-F260 HydrophobicContact CG1-CD2 3.94Å; V251-F260 HydrophobicContact CG1-CG 4.33Å; E258-F260 VanDerWaalsContact C-N 3.34Å; E258-F260 HydrophobicContact CG-CB 4.05Å; E258-F260 PolarHBondContact O-N 3.33Å; E258-F260 VanDerWaalsContact OE1-CD2 3.22Å; E258-F260 WeakPolarHBondContact OE1-CD2 3.26Å; E258-F260 PolarHBondContact OE1-N 3.47Å; F260-K262 VanDerWaalsContact C-N 3.26Å; F260-K262 PolarHBondContact O-N 3.16Å; F260-K264 HydrophobicContact CD1-CD 4.06Å; F260-K264 PolarHBondContact O-NZ 3.21Å; F260-V268 HydrophobicContact CD1-CG1 4.31Å; F260-V268 HydrophobicContact CE1-CG1 4.19Å; F260-A270 HydrophobicContact CB-CB 4.21Å
261C95.4Very high94.6Very high1 Ų129.7 Ų29.71%0.00716%0.16CC..G310 helixtrans-75.6-9175.1-63.90000114N143 E258 L259 N287 L290N143-C261 PolarHBondContact ND2-O 3.33Å; N143-C261 PolarHBondContact OD1-O 3.01Å; E258-C261 VanDerWaalsContact O-CB 3.3Å; E258-C261 WeakPolarHBondContact O-CB 3.31Å; E258-C261 PolarHBondContact O-N 3.44Å; L259-C261 PolarHBondContact O-N 3.44Å; L259-C261 VanDerWaalsContact O-N 3.1Å; C261-N287 WeakPolarHBondContact CB-OD1 3.29Å; C261-L290 HydrophobicContact CB-CD2 4.49Å
262K93.6Very high94.6Very high52 Ų5231.2 Ų31.223%0.22617%0.167CC..SBendtrans-83.4171.8174.1-64.5-178.6178.61770112.7F215 G218 L259 F260 K264 L290F215-K262 HydrophobicContact CE1-CB 4.18Å; F215-K262 HydrophobicContact CZ-CB 4.47Å; G218-K262 PolarHBondContact O-NZ 3.42Å; L259-K262 HydrophobicContact CD2-CD 4.26Å; L259-K262 WeakPolarHBondContact O-CB 3.48Å; L259-K262 PolarHBondContact O-N 2.83Å; F260-K262 VanDerWaalsContact C-N 3.26Å; F260-K262 PolarHBondContact O-N 3.16Å; K262-K264 PolarHBondContact O-N 3.3Å; K262-K264 PolarHBondContact O-NZ 3.07Å; K262-L290 HydrophobicContact CG-CD2 3.84Å
263E93.6Very high94.8Very high23 Ų2325.6 Ų25.611%0.10714%0.138CC..  trans-66.4117.3169.7-175.4173.6-159.800110.5P141 G142 M265 E291P141-E263 WeakPolarHBondContact CB-OE2 2.97Å; G142-E263 PolarHBondContact N-OE1 3.3Å; G142-E263 PolarHBondContact N-OE2 3.15Å; G142-E263 VanDerWaalsContact N-OE2 3.08Å; G142-E263 VanDerWaalsContact O-CG 3.29Å; G142-E263 WeakPolarHBondContact O-CG 3.41Å; E263-M265 HydrophobicContact CG-CG 3.8Å; E263-E291 PolarHBondContact N-OE2 2.8Å
264K93.6Very high95Very high6 Ų624.4 Ų24.43%0.02613%0.128CC..  trans-92.1-27.4-175.5-69.3167.4-67-67.30114.1Q177 F215 F260 K262 A266 V268Q177-K264 WeakPolarHBondContact O-CE 3.32Å; Q177-K264 PolarHBondContact O-NZ 3.49Å; Q177-K264 VanDerWaalsContact OE1-CE 3.24Å; F215-K264 HydrophobicContact CE2-CG 4.4Å; F215-K264 HydrophobicContact CZ-CG 3.81Å; F260-K264 HydrophobicContact CD1-CD 4.06Å; F260-K264 PolarHBondContact O-NZ 3.21Å; K262-K264 PolarHBondContact O-N 3.3Å; K262-K264 PolarHBondContact O-NZ 3.07Å; K264-A266 PolarHBondContact O-N 3.36Å; K264-A266 VanDerWaalsContact O-N 3.07Å; K264-V268 HydrophobicContact CD-CB 4.08Å; K264-V268 HydrophobicContact CD-CG1 4.03Å; K264-V268 WeakPolarHBondContact CE-O 3.3Å
265M93.1Very high95.2Very high40 Ų4028.1 Ų28.120%0.19715%0.147CC..  trans47.532.1-172.4-53-17568.100114.8T43 G170 I171 I225 G226 E263T43-M265 HydrophobicContact CG2-CE 3.5Å; G170-M265 CarbonylContact O-C 3.56Å; G170-M265 WeakPolarHBondContact O-CA 3.36Å; I171-M265 HydrophobicContact CG1-CE 4.12Å; I225-M265 WeakPolarHBondContact CA-O 3.18Å; I225-M265 HydrophobicContact CD1-SD 4.33Å; I225-M265 HydrophobicContact CG1-CB 4.3Å; I225-M265 HydrophobicContact CG2-CB 4.01Å; I225-M265 HydrophobicContact CG2-CE 4.16Å; G226-M265 PolarHBondContact N-O 2.93Å; E263-M265 HydrophobicContact CG-CG 3.8Å
266A95.9Very high95.6Very high0 Ų031.6 Ų31.60%017%0.166CC..SBendtrans-139.6160.8-177.500000109.1R165 N169 L214 I232 K264 V268R165-A266 PolarHBondContact NE-O 3.43Å; R165-A266 PolarHBondContact NH2-O 3.07Å; N169-A266 CarbonylContact O-C 3.58Å; N169-A266 WeakPolarHBondContact O-CA 3.38Å; L214-A266 HydrophobicContact CD2-CB 3.95Å; I232-A266 HydrophobicContact CD1-CB 3.86Å; K264-A266 PolarHBondContact O-N 3.36Å; K264-A266 VanDerWaalsContact O-N 3.07Å; A266-V268 HydrophobicContact CB-CG2 4.17Å; A266-V268 PolarHBondContact O-N 3.41Å
267P97.4Very high96.1Very high0 Ų027.1 Ų27.10%013%0.134CC..SBendtrans-75.355.4-179.233.7-36.8000112N169 Q227 P229 I232 I246 I247N169-P267 VanDerWaalsContact O-CD 3.24Å; N169-P267 WeakPolarHBondContact O-CD 3.46Å; Q227-P267 WeakPolarHBondContact O-CD 3.2Å; Q227-P267 WeakPolarHBondContact O-CG 3.47Å; P229-P267 HydrophobicContact CB-CG 4.48Å; P229-P267 HydrophobicContact CG-CB 4.11Å; P229-P267 HydrophobicContact CG-CG 3.73Å; I232-P267 HydrophobicContact CD1-CG 4.02Å; I246-P267 CarbonylContact C-O 3.44Å; I246-P267 VanDerWaalsContact CA-O 3.32Å; I246-P267 WeakPolarHBondContact CA-O 3.25Å; I246-P267 WeakPolarHBondContact CB-O 3.41Å; I246-P267 HydrophobicContact CG2-CB 4.23Å; I247-P267 PolarHBondContact N-O 2.74Å
268V98Very high96.4Very high0 Ų023.6 Ų23.60%012%0.117CC..EExtended strand (participates in β ladder)trans-124.2126.7-176.7-176.30000108.9R165 L214 I232 I247 V249 F260 K264 A266R165-V268 WeakPolarHBondContact CD-O 3.33Å; L214-V268 HydrophobicContact CD1-CB 4.26Å; L214-V268 HydrophobicContact CD1-CG1 4.01Å; L214-V268 HydrophobicContact CD1-CG2 3.85Å; L214-V268 HydrophobicContact CD2-CG2 4.24Å; I232-V268 HydrophobicContact CD1-CG2 4.37Å; I247-V268 HydrophobicContact CB-CG2 4.3Å; I247-V268 CarbonylContact O-C 3.42Å; I247-V268 WeakPolarHBondContact O-CA 3.36Å; V249-V268 HydrophobicContact CG2-CG1 4.4Å; F260-V268 HydrophobicContact CD1-CG1 4.31Å; F260-V268 HydrophobicContact CE1-CG1 4.19Å; K264-V268 HydrophobicContact CD-CB 4.08Å; K264-V268 HydrophobicContact CD-CG1 4.03Å; K264-V268 WeakPolarHBondContact CE-O 3.3Å; A266-V268 HydrophobicContact CB-CG2 4.17Å; A266-V268 PolarHBondContact O-N 3.41Å
269L98.2Very high96.6Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-116.1125.6-177.4-177.868.2000110.4R165 Q176 L179 I246 I247 A248 V249 L271R165-L269 HydrophobicContact CG-CB 4.27Å; Q176-L269 HydrophobicContact CB-CD1 4.3Å; Q176-L269 HydrophobicContact CG-CD1 3.73Å; L179-L269 HydrophobicContact CB-CD2 4.26Å; I246-L269 HydrophobicContact CD1-CB 4.19Å; I246-L269 HydrophobicContact CD1-CD2 4.19Å; I247-L269 PolarHBondContact O-N 3.05Å; A248-L269 CarbonylContact C-O 3.46Å; A248-L269 VanDerWaalsContact CA-O 3.28Å; A248-L269 WeakPolarHBondContact CA-O 3.38Å; A248-L269 HydrophobicContact CB-CB 4.47Å; V249-L269 PolarHBondContact N-O 3.39Å; L269-L271 HydrophobicContact CD2-CD2 3.94Å; L269-L271 HydrophobicContact CG-CD2 4.15Å
270A98.2Very high96.7Very high2 Ų223.7 Ų23.72%0.01712%0.117CC..EExtended strand (participates in β ladder)trans-81.7140.617200000111Q177 S178 L179 V249 F260Q177-A270 PolarHBondContact O-N 3.06Å; S178-A270 CarbonylContact C-O 3.6Å; S178-A270 WeakPolarHBondContact CA-O 3.47Å; L179-A270 PolarHBondContact N-O 2.68Å; V249-A270 CarbonylContact O-C 3.51Å; F260-A270 HydrophobicContact CB-CB 4.21Å
271L98.6Very high96.7Very high0 Ų023.8 Ų23.80%012%0.117CC..EExtended strand (participates in β ladder)trans-122.8128.9-177.8-62.8-175.2000109.4L179 Y181 L190 L193 A248 V249 K250 V251 L269L179-L271 HydrophobicContact CB-CD2 3.86Å; L179-L271 HydrophobicContact CD2-CD2 4.31Å; Y181-L271 HydrophobicContact CE1-CB 3.92Å; Y181-L271 HydrophobicContact CE1-CD2 4.42Å; L190-L271 HydrophobicContact CD2-CD1 3.55Å; L193-L271 HydrophobicContact CD1-CD1 3.67Å; L193-L271 HydrophobicContact CD1-CD2 3.73Å; L193-L271 HydrophobicContact CD1-CG 4.35Å; A248-L271 HydrophobicContact CB-CD1 3.83Å; A248-L271 HydrophobicContact CB-CG 4.15Å; V249-L271 WeakPolarHBondContact O-CB 3.27Å; V249-L271 PolarHBondContact O-N 2.89Å; K250-L271 WeakPolarHBondContact CA-O 3.28Å; K250-L271 HydrophobicContact CB-CB 4.49Å; V251-L271 PolarHBondContact N-O 3.41Å; L269-L271 HydrophobicContact CD2-CD2 3.94Å; L269-L271 HydrophobicContact CG-CD2 4.15Å
272K98Very high96.7Very high37 Ų3725.9 Ų25.916%0.16113%0.134CC..EExtended strand (participates in β ladder)trans-145.6128.8176.3179.472.3-179.478.80110.6L179 F180 Y181 V251 D252 V254 F283L179-K272 PolarHBondContact O-N 3.13Å; F180-K272 VanDerWaalsContact CA-O 3.3Å; F180-K272 WeakPolarHBondContact CA-O 3.29Å; F180-K272 HydrophobicContact CD1-CB 3.75Å; F180-K272 HydrophobicContact CD1-CG 4.2Å; F180-K272 HydrophobicContact CE1-CB 3.77Å; F180-K272 HydrophobicContact CE1-CG 4.16Å; Y181-K272 PolarHBondContact N-O 3.05Å; V251-K272 HydrophobicContact CG2-CB 4.15Å; V251-K272 HydrophobicContact CG2-CD 4.49Å; V251-K272 WeakPolarHBondContact O-CD 3.33Å; D252-K272 WeakPolarHBondContact O-CE 3.41Å; V254-K272 HydrophobicContact CG1-CG 4.34Å; K272-F283 HydrophobicContact CG-CD2 4.17Å; K272-F283 HydrophobicContact CG-CE2 4.2Å
273S98.2Very high96.9Very high11 Ų1124.7 Ų24.78%0.07713%0.129CC..EExtended strand (participates in β ladder)trans-79.515017232.70000112.2Y181 E186Y181-S273 CarbonylContact O-C 3.47Å; Y181-S273 WeakPolarHBondContact O-CA 3.16Å; E186-S273 PolarHBondContact OE2-OG 3.16Å
274Y98.1Very high97.1Very high1 Ų123.6 Ų23.60%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-128156.2172.663-108.4000111.5I147 L148 F180 Y181 P182 Q183 D276 E279I147-Y274 HydrophobicContact CG2-CE1 3.97Å; L148-Y274 PolarHBondContact O-OH 2.96Å; F180-Y274 HydrophobicContact CB-CD1 3.96Å; F180-Y274 HydrophobicContact CB-CE1 4.18Å; Y181-Y274 VanDerWaalsContact C-CD1 3.45Å; Y181-Y274 VanDerWaalsContact CA-CE1 3.44Å; Y181-Y274 VanDerWaalsContact O-CD1 3.23Å; Y181-Y274 WeakPolarHBondContact O-CD1 3.29Å; Y181-Y274 PolarHBondContact O-N 3.01Å; P182-Y274 HydrophobicContact CB-CE2 4.15Å; P182-Y274 HydrophobicContact CG-CE2 4.01Å; Q183-Y274 PolarHBondContact N-O 3.03Å; Y274-D276 VanDerWaalsContact CD2-C 3.48Å; Y274-D276 WeakPolarHBondContact CD2-O 3.49Å; Y274-D276 WeakPolarHBondContact CE2-O 3.32Å; Y274-E279 VanDerWaalsContact CA-OE2 3.32Å; Y274-E279 WeakPolarHBondContact CA-OE2 3.39Å; Y274-E279 WeakPolarHBondContact CB-OE2 3.35Å
275D97.5Very high97Very high91 Ų9126.4 Ų26.449%0.48714%0.137SC..SBendtrans-88.2-37.6178.7-71.1-21.4000112.2R150 Q183 E279R150-D275 PolarHBondContact NH2-O 3.08Å; Q183-D275 PolarHBondContact OE1-OD1 3.44Å; D275-E279 PolarHBondContact N-OE2 3.24Å
276D96.8Very high96.9Very high75 Ų7528.7 Ų28.740%0.40115%0.148SC..SBendtrans-135.2164.217464.555.5000113.1Y274 E278 E279 G280Y274-D276 VanDerWaalsContact CD2-C 3.48Å; Y274-D276 WeakPolarHBondContact CD2-O 3.49Å; Y274-D276 WeakPolarHBondContact CE2-O 3.32Å; D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 2.99Å; D276-E278 PolarHBondContact OD1-N 2.69Å; D276-E279 PolarHBondContact O-N 3.44Å; D276-E279 WeakPolarHBondContact OD1-CB 3.32Å; D276-E279 PolarHBondContact OD1-N 2.97Å; D276-G280 PolarHBondContact O-N 3.45Å; D276-G280 VanDerWaalsContact O-N 3.11Å
277F97.3Very high96.8Very high3 Ų328.7 Ų28.71%0.01315%0.148CC..Hα-helixtrans-65.9-37.8-171.2-178.5-102.9000111.2I147 D149 E279 G280 I281 L299 H306 Y309I147-F277 HydrophobicContact CG2-CD2 4.35Å; I147-F277 HydrophobicContact CG2-CE2 3.88Å; D149-F277 HydrophobicContact CB-CE2 4.46Å; F277-E279 VanDerWaalsContact C-N 3.34Å; F277-G280 PolarHBondContact O-N 3.07Å; F277-I281 HydrophobicContact CD1-CG1 4.07Å; F277-I281 HydrophobicContact CE1-CD1 4.04Å; F277-I281 HydrophobicContact CE1-CG1 3.67Å; F277-I281 HydrophobicContact CZ-CD1 3.87Å; F277-I281 HydrophobicContact CZ-CG1 3.93Å; F277-I281 WeakPolarHBondContact O-CG1 3.37Å; F277-I281 PolarHBondContact O-N 2.69Å; F277-L299 HydrophobicContact CE2-CD1 3.79Å; F277-L299 HydrophobicContact CZ-CD1 3.86Å; F277-H306 HydrophobicContact CD1-CB 4.1Å; F277-H306 AromaticContact CD1-CD2 3.86Å; F277-H306 AromaticContact CD1-CG 3.72Å; F277-H306 AromaticContact CD1-ND1 3.93Å; F277-H306 AromaticContact CD2-ND1 3.84Å; F277-H306 HydrophobicContact CE1-CB 3.53Å; F277-H306 AromaticContact CE1-CG 3.69Å; F277-H306 HydrophobicContact CE2-CB 4.15Å; F277-H306 AromaticContact CG-CE1 3.91Å; F277-H306 AromaticContact CG-ND1 3.76Å; F277-H306 HydrophobicContact CZ-CB 3.57Å; F277-Y309 HydrophobicContact CD1-CD1 4.33Å; F277-Y309 HydrophobicContact CE1-CD1 4.03Å
278E97.2Very high96.5Very high94 Ų9428.8 Ų28.844%0.43915%0.148SC..Hα-helixtrans-61.3-40.9176.2-66.482.8169.300111.7D276 I281 A282 Y309D276-E278 VanDerWaalsContact C-N 3.29Å; D276-E278 PolarHBondContact O-N 2.99Å; D276-E278 PolarHBondContact OD1-N 2.69Å; E278-I281 PolarHBondContact O-N 2.82Å; E278-A282 WeakPolarHBondContact O-CB 3.21Å; E278-A282 PolarHBondContact O-N 3.29Å; E278-Y309 HydrophobicContact CG-CE1 4.14Å
279E97.4Very high96Very high62 Ų6233.8 Ų33.829%0.2917%0.174SC..Hα-helixtrans-62.8-45.1172.3-171.7-172.4-136.700111.5Y274 D275 D276 F277 I281 A282 F283Y274-E279 VanDerWaalsContact CA-OE2 3.32Å; Y274-E279 WeakPolarHBondContact CA-OE2 3.39Å; Y274-E279 WeakPolarHBondContact CB-OE2 3.35Å; D275-E279 PolarHBondContact N-OE2 3.24Å; D276-E279 PolarHBondContact O-N 3.44Å; D276-E279 WeakPolarHBondContact OD1-CB 3.32Å; D276-E279 PolarHBondContact OD1-N 2.97Å; F277-E279 VanDerWaalsContact C-N 3.34Å; E279-I281 VanDerWaalsContact C-N 3.27Å; E279-I281 PolarHBondContact O-N 2.97Å; E279-A282 WeakPolarHBondContact O-CB 3.14Å; E279-A282 PolarHBondContact O-N 3.21Å; E279-A282 VanDerWaalsContact O-N 3.1Å; E279-F283 HydrophobicContact CG-CD1 4.39Å; E279-F283 HydrophobicContact CG-CD2 4.38Å; E279-F283 HydrophobicContact CG-CE1 3.75Å; E279-F283 HydrophobicContact CG-CE2 3.74Å; E279-F283 HydrophobicContact CG-CZ 3.38Å; E279-F283 WeakPolarHBondContact O-CG 3.24Å; E279-F283 PolarHBondContact O-N 2.9Å; E279-F283 WeakPolarHBondContact OE1-CZ 3.44Å
280G97.2Very high95.2Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-59-38174.600000113D276 F277 A284D276-G280 PolarHBondContact O-N 3.45Å; D276-G280 VanDerWaalsContact O-N 3.11Å; F277-G280 PolarHBondContact O-N 3.07Å; G280-A284 PolarHBondContact O-N 3.02Å
281I98Very high94.6Very high2 Ų239.7 Ų39.71%0.0120%0.203CC..Hα-helixtrans-68.2-41.8173-68.4-66000111.3I147 F277 E278 E279 A284 Q285 Y309 A310 V313 L314I147-I281 HydrophobicContact CD1-CD1 4.25Å; I147-I281 HydrophobicContact CG1-CD1 4.27Å; F277-I281 HydrophobicContact CD1-CG1 4.07Å; F277-I281 HydrophobicContact CE1-CD1 4.04Å; F277-I281 HydrophobicContact CE1-CG1 3.67Å; F277-I281 HydrophobicContact CZ-CD1 3.87Å; F277-I281 HydrophobicContact CZ-CG1 3.93Å; F277-I281 WeakPolarHBondContact O-CG1 3.37Å; F277-I281 PolarHBondContact O-N 2.69Å; E278-I281 PolarHBondContact O-N 2.82Å; E279-I281 VanDerWaalsContact C-N 3.27Å; E279-I281 PolarHBondContact O-N 2.97Å; I281-A284 PolarHBondContact O-N 2.74Å; I281-Q285 WeakPolarHBondContact O-CB 3.49Å; I281-Q285 PolarHBondContact O-N 2.92Å; I281-Y309 HydrophobicContact CB-CE1 4.2Å; I281-Y309 HydrophobicContact CG1-CD1 4.19Å; I281-Y309 HydrophobicContact CG1-CE1 4.15Å; I281-Y309 HydrophobicContact CG2-CE1 3.99Å; I281-A310 HydrophobicContact CD1-CB 3.64Å; I281-V313 HydrophobicContact CG2-CB 4.11Å; I281-V313 HydrophobicContact CG2-CG1 3.71Å; I281-L314 HydrophobicContact CD1-CD1 4.11Å; I281-L314 HydrophobicContact CD1-CD2 4.46Å; I281-L314 HydrophobicContact CD1-CG 4.3Å; I281-L314 HydrophobicContact CG2-CD2 4.11Å; I281-L314 HydrophobicContact CG2-CG 4.42Å
282A94.7Very high94.1Very high44 Ų4439.8 Ų39.836%0.36420%0.204SC..Hα-helixtrans-61.7-43.8177.500000111.7E278 E279 A284 Q285 E286E278-A282 WeakPolarHBondContact O-CB 3.21Å; E278-A282 PolarHBondContact O-N 3.29Å; E279-A282 WeakPolarHBondContact O-CB 3.14Å; E279-A282 PolarHBondContact O-N 3.21Å; E279-A282 VanDerWaalsContact O-N 3.1Å; A282-A284 PolarHBondContact O-N 3.14Å; A282-Q285 WeakPolarHBondContact O-CB 3.4Å; A282-Q285 PolarHBondContact O-N 3.42Å; A282-E286 WeakPolarHBondContact O-CB 3.49Å; A282-E286 PolarHBondContact O-N 2.75Å
283F97.6Very high93.6Very high28 Ų2839.9 Ų39.912%0.12321%0.21CC..Hα-helixtrans-59.8-44.4174-67.2-16.7000112.6F180 V254 K272 E279 Q285 E286 N287F180-F283 HydrophobicContact CD1-CB 3.94Å; F180-F283 HydrophobicContact CD1-CD2 4.06Å; F180-F283 HydrophobicContact CE1-CB 3.53Å; F180-F283 HydrophobicContact CE1-CD2 4.18Å; F180-F283 HydrophobicContact CE1-CG 4.26Å; F180-F283 HydrophobicContact CE2-CB 4.3Å; F180-F283 HydrophobicContact CG-CB 4.48Å; F180-F283 HydrophobicContact CZ-CB 3.71Å; V254-F283 HydrophobicContact CG1-CB 3.97Å; V254-F283 HydrophobicContact CG1-CD1 4.11Å; V254-F283 HydrophobicContact CG1-CD2 4.47Å; V254-F283 HydrophobicContact CG1-CG 3.94Å; V254-F283 HydrophobicContact CG2-CD1 3.74Å; V254-F283 HydrophobicContact CG2-CE1 4.26Å; V254-F283 HydrophobicContact CG2-CG 4.37Å; K272-F283 HydrophobicContact CG-CD2 4.17Å; K272-F283 HydrophobicContact CG-CE2 4.2Å; E279-F283 HydrophobicContact CG-CD1 4.39Å; E279-F283 HydrophobicContact CG-CD2 4.38Å; E279-F283 HydrophobicContact CG-CE1 3.75Å; E279-F283 HydrophobicContact CG-CE2 3.74Å; E279-F283 HydrophobicContact CG-CZ 3.38Å; E279-F283 WeakPolarHBondContact O-CG 3.24Å; E279-F283 PolarHBondContact O-N 2.9Å; E279-F283 WeakPolarHBondContact OE1-CZ 3.44Å; F283-Q285 VanDerWaalsContact C-N 3.35Å; F283-E286 PolarHBondContact O-N 3.47Å; F283-N287 PolarHBondContact O-N 3.12Å; F283-N287 VanDerWaalsContact O-N 3.15Å
284A97.1Very high93.2Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-63.5-42.2176.100000111.7Q145 I147 F180 G280 I281 A282 N287 L288 L314Q145-A284 HydrophobicContact CB-CB 3.75Å; Q145-A284 HydrophobicContact CG-CB 4.19Å; I147-A284 HydrophobicContact CD1-CB 3.88Å; I147-A284 HydrophobicContact CG1-CB 4.24Å; F180-A284 HydrophobicContact CD2-CB 3.98Å; F180-A284 HydrophobicContact CE2-CB 3.77Å; G280-A284 PolarHBondContact O-N 3.02Å; I281-A284 PolarHBondContact O-N 2.74Å; A282-A284 PolarHBondContact O-N 3.14Å; A284-N287 PolarHBondContact O-N 3.36Å; A284-L288 WeakPolarHBondContact O-CB 3.46Å; A284-L288 WeakPolarHBondContact O-CD1 3.42Å; A284-L288 WeakPolarHBondContact O-CG 2.81Å; A284-L288 PolarHBondContact O-N 2.85Å; A284-L314 HydrophobicContact CB-CD2 3.81Å
285Q92.9Very high93Very high65 Ų6539.8 Ų39.830%0.30421%0.211SC..Hα-helixtrans-62.3-45.7177-176.4174.45000111.5I281 A282 F283 N287 L288 L289 V313 L314 P315I281-Q285 WeakPolarHBondContact O-CB 3.49Å; I281-Q285 PolarHBondContact O-N 2.92Å; A282-Q285 WeakPolarHBondContact O-CB 3.4Å; A282-Q285 PolarHBondContact O-N 3.42Å; F283-Q285 VanDerWaalsContact C-N 3.35Å; Q285-N287 PolarHBondContact O-N 2.93Å; Q285-L288 PolarHBondContact O-N 2.97Å; Q285-L289 HydrophobicContact CG-CD1 3.96Å; Q285-L289 HydrophobicContact CG-CG 4.38Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 VanDerWaalsContact O-CG 3.3Å; Q285-L289 WeakPolarHBondContact O-CG 3.44Å; Q285-L289 PolarHBondContact O-N 2.94Å; Q285-V313 PolarHBondContact NE2-O 3.26Å; Q285-V313 VanDerWaalsContact NE2-O 3.08Å; Q285-L314 HydrophobicContact CB-CD2 4.35Å; Q285-P315 HydrophobicContact CG-CG 4.4Å
286E91.5Very high92.9Very high88 Ų8835.5 Ų35.541%0.41119%0.187SC..Hα-helixtrans-59.8-45.5178.9-170.3175.4167.900111.9V254 A282 F283 L288 L289 L290V254-E286 VanDerWaalsContact CG2-OE2 3.27Å; V254-E286 WeakPolarHBondContact CG2-OE2 3.38Å; A282-E286 WeakPolarHBondContact O-CB 3.49Å; A282-E286 PolarHBondContact O-N 2.75Å; F283-E286 PolarHBondContact O-N 3.47Å; E286-L288 PolarHBondContact O-N 2.85Å; E286-L289 PolarHBondContact O-N 3.34Å; E286-L290 PolarHBondContact O-N 2.9Å
287N93.4Very high93Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-64-39.5175.7-73.6-2.3000112.7N143 Q145 F180 G255 C261 F283 A284 Q285 L290 E291N143-N287 PolarHBondContact ND2-O 2.94Å; Q145-N287 VanDerWaalsContact CD-CB 3.49Å; Q145-N287 HydrophobicContact CG-CB 4Å; Q145-N287 PolarHBondContact OE1-ND2 3.08Å; F180-N287 WeakPolarHBondContact CZ-ND2 3.15Å; G255-N287 PolarHBondContact N-OD1 3.48Å; C261-N287 WeakPolarHBondContact CB-OD1 3.29Å; F283-N287 PolarHBondContact O-N 3.12Å; F283-N287 VanDerWaalsContact O-N 3.15Å; A284-N287 PolarHBondContact O-N 3.36Å; Q285-N287 PolarHBondContact O-N 2.93Å; N287-L290 WeakPolarHBondContact O-CB 3.48Å; N287-L290 PolarHBondContact O-N 2.69Å; N287-E291 PolarHBondContact O-N 2.84Å; N287-E291 VanDerWaalsContact O-N 3.14Å
288L91.5Very high93Very high1 Ų131.8 Ų31.81%0.00517%0.168CC..Hα-helixtrans-66.8-36.9177.2-73.3164.6000112N143 Q145 A284 Q285 E286 L290 E291 G292 S293 L314 P315 V316N143-L288 WeakPolarHBondContact O-CD2 3.39Å; Q145-L288 HydrophobicContact CG-CD1 4.43Å; Q145-L288 HydrophobicContact CG-CD2 4.23Å; Q145-L288 HydrophobicContact CG-CG 3.86Å; A284-L288 WeakPolarHBondContact O-CB 3.46Å; A284-L288 WeakPolarHBondContact O-CD1 3.42Å; A284-L288 WeakPolarHBondContact O-CG 2.81Å; A284-L288 PolarHBondContact O-N 2.85Å; Q285-L288 PolarHBondContact O-N 2.97Å; E286-L288 PolarHBondContact O-N 2.85Å; L288-L290 VanDerWaalsContact C-N 3.34Å; L288-E291 CarbonylContact C-O 3.49Å; L288-E291 WeakPolarHBondContact CA-O 3.35Å; L288-E291 CarbonylContact O-C 3.51Å; L288-E291 VanDerWaalsContact O-O 3.14Å; L288-G292 CarbonylContact O-C 3.57Å; L288-G292 PolarHBondContact O-N 3.42Å; L288-S293 WeakPolarHBondContact O-CA 3.24Å; L288-S293 WeakPolarHBondContact O-CB 3.22Å; L288-S293 PolarHBondContact O-N 2.74Å; L288-L314 HydrophobicContact CD1-CB 4.49Å; L288-L314 HydrophobicContact CD1-CD2 4.09Å; L288-P315 HydrophobicContact CB-CG 4.02Å; L288-P315 HydrophobicContact CD1-CG 4.36Å; L288-V316 HydrophobicContact CD1-CG1 3.63Å; L288-V316 HydrophobicContact CD2-CG1 3.9Å; L288-V316 HydrophobicContact CG-CG1 4.4Å
289L85.6Confident93Very high105 Ų10527.3 Ų27.355%0.5515%0.147SC..Hα-helixtrans-71.6-29.8176.5-69.7174.3000112.1Q285 E286 P315Q285-L289 HydrophobicContact CG-CD1 3.96Å; Q285-L289 HydrophobicContact CG-CG 4.38Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 VanDerWaalsContact O-CG 3.3Å; Q285-L289 WeakPolarHBondContact O-CG 3.44Å; Q285-L289 PolarHBondContact O-N 2.94Å; E286-L289 PolarHBondContact O-N 3.34Å; L289-P315 HydrophobicContact CD2-CG 4.17Å; L289-P315 HydrophobicContact CG-CG 4.4Å
290L83.2Confident93.1Very high64 Ų6424.4 Ų24.434%0.33513%0.133SC..Hα-helixtrans-63.7-51.9170177.270.2000111.6G255 C261 K262 E286 N287 L288G255-L290 WeakPolarHBondContact O-CD2 3.37Å; C261-L290 HydrophobicContact CB-CD2 4.49Å; K262-L290 HydrophobicContact CG-CD2 3.84Å; E286-L290 PolarHBondContact O-N 2.9Å; N287-L290 WeakPolarHBondContact O-CB 3.48Å; N287-L290 PolarHBondContact O-N 2.69Å; L288-L290 VanDerWaalsContact C-N 3.34Å
291E84.9Confident93.1Very high62 Ų6224.4 Ų24.429%0.2913%0.133SC..THydrogen-bonded Turntrans-156137.2178.1-175.8169.4-15200107.8P141 N143 E263 N287 L288P141-E291 HydrophobicContact CB-CG 4Å; P141-E291 HydrophobicContact CG-CG 3.95Å; N143-E291 HydrophobicContact CB-CB 4.42Å; N143-E291 HydrophobicContact CB-CG 4.49Å; N143-E291 WeakPolarHBondContact CB-O 3.32Å; N143-E291 PolarHBondContact ND2-O 2.89Å; E263-E291 PolarHBondContact N-OE2 2.8Å; N287-E291 PolarHBondContact O-N 2.84Å; N287-E291 VanDerWaalsContact O-N 3.14Å; L288-E291 CarbonylContact C-O 3.49Å; L288-E291 WeakPolarHBondContact CA-O 3.35Å; L288-E291 CarbonylContact O-C 3.51Å; L288-E291 VanDerWaalsContact O-O 3.14Å
292G88.7Confident93.1Very high3 Ų330 Ų303%0.03116%0.159CC..THydrogen-bonded Turntrans103.31.5173.500000117.2P141 L288 G294 H295P141-G292 WeakPolarHBondContact O-CA 3.28Å; L288-G292 CarbonylContact O-C 3.57Å; L288-G292 PolarHBondContact O-N 3.42Å; G292-G294 PolarHBondContact O-N 3.31Å; G292-H295 WeakPolarHBondContact O-CB 3.31Å; G292-H295 PolarHBondContact O-N 3.04Å
293S87.3Confident93.3Very high39 Ų3929.2 Ų29.227%0.27315%0.151SC..THydrogen-bonded Turntrans-52.1133.7173.1-1760000111.5L288 H295L288-S293 WeakPolarHBondContact O-CA 3.24Å; L288-S293 WeakPolarHBondContact O-CB 3.22Å; L288-S293 PolarHBondContact O-N 2.74Å; S293-H295 VanDerWaalsContact C-N 3.29Å; S293-H295 PolarHBondContact O-N 3.16Å
294G89.4Confident93.3Very high9 Ų934.2 Ų34.29%0.09317%0.173CC..EExtended strand (participates in β ladder)trans82.2-9.7-174.800000114.9G292 P315 S317 R318 C344G292-G294 PolarHBondContact O-N 3.31Å; G294-P315 WeakPolarHBondContact CA-O 3.47Å; G294-P315 PolarHBondContact N-O 2.92Å; G294-S317 WeakPolarHBondContact O-CB 3.27Å; G294-S317 PolarHBondContact O-N 3.3Å; G294-S317 PolarHBondContact O-OG 3.28Å; G294-R318 PolarHBondContact O-NH2 2.82Å; G294-C344 WeakPolarHBondContact CA-O 3.34Å; G294-C344 WeakPolarHBondContact O-CA 3.44Å
295H93.5Very high93.3Very high1 Ų141.4 Ų41.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-79.5-95.4-173.7-160.5-78.5000113P141 C173 G292 S293 R318P141-H295 PolarHBondContact O-CD2 2.97Å; C173-H295 PolarHBondContact O-CE1 3.29Å; G292-H295 WeakPolarHBondContact O-CB 3.31Å; G292-H295 PolarHBondContact O-N 3.04Å; S293-H295 VanDerWaalsContact C-N 3.29Å; S293-H295 PolarHBondContact O-N 3.16Å; H295-R318 PolarHBondContact O-NE 3.47Å; H295-R318 PolarHBondContact O-NH2 3.41Å
296S96.2Very high93.6Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-152.4157.8-177.8-50.20000112.2V144 R318 A328V144-S296 WeakPolarHBondContact CA-O 3.33Å; S296-R318 CarbonylContact C-O 3.54Å; S296-R318 WeakPolarHBondContact CA-O 3.47Å; S296-R318 PolarHBondContact OG-NE 3.11Å; S296-A328 WeakPolarHBondContact OG-CB 3.4Å
297A97.8Very high93.9Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-137.9163168.100000110.8Q145 L314 V316 R318 L319 V320Q145-A297 CarbonylContact O-C 3.52Å; Q145-A297 VanDerWaalsContact O-CA 3.32Å; Q145-A297 WeakPolarHBondContact O-CA 3.31Å; Q145-A297 WeakPolarHBondContact O-CB 3.24Å; A297-L314 HydrophobicContact CB-CD1 3.89Å; A297-V316 HydrophobicContact CB-CG1 4.08Å; A297-V316 HydrophobicContact CB-CG2 4.13Å; A297-R318 PolarHBondContact N-O 3.32Å; A297-L319 HydrophobicContact CB-CD1 3.84Å; A297-L319 WeakPolarHBondContact O-CA 3.48Å; A297-V320 PolarHBondContact O-N 2.97Å
298G97.8Very high94.1Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-119144.9173.200000111.8Q145 A146 I147 V320Q145-G298 PolarHBondContact O-N 3.48Å; A146-G298 CarbonylContact C-O 3.49Å; A146-G298 VanDerWaalsContact CA-O 3.27Å; A146-G298 WeakPolarHBondContact CA-O 3.19Å; I147-G298 PolarHBondContact N-O 2.91Å; G298-V320 CarbonylContact C-O 3.43Å; G298-V320 WeakPolarHBondContact CA-O 3.37Å
299L98.5Very high94.4Very high0 Ų046.3 Ų46.30%023%0.229CC..EExtended strand (participates in β ladder)trans-135.2126.7173.3176.266.6000110.1I147 F277 Q307 A310 L319 V320 V321 N322I147-L299 HydrophobicContact CB-CD1 3.98Å; I147-L299 HydrophobicContact CG2-CD1 4.26Å; I147-L299 WeakPolarHBondContact O-CA 3.28Å; F277-L299 HydrophobicContact CE2-CD1 3.79Å; F277-L299 HydrophobicContact CZ-CD1 3.86Å; L299-Q307 HydrophobicContact CD2-CB 4.24Å; L299-Q307 HydrophobicContact CD2-CG 3.86Å; L299-A310 HydrophobicContact CD2-CB 4Å; L299-L319 HydrophobicContact CB-CD1 4.13Å; L299-V320 PolarHBondContact N-O 3.37Å; L299-V321 CarbonylContact O-C 3.49Å; L299-V321 VanDerWaalsContact O-CA 3.31Å; L299-V321 WeakPolarHBondContact O-CA 3.46Å; L299-N322 PolarHBondContact O-N 3.22Å; L299-N322 PolarHBondContact O-OD1 3.36Å
300F98.5Very high94.9Very high1 Ų141.3 Ų41.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-104.295.3171.2-52.2-59.8000108.5A146 I147 L148 D149 F152 A157 L160 L179 N322A146-F300 HydrophobicContact CB-CE2 4.16Å; I147-F300 PolarHBondContact O-N 3.06Å; L148-F300 HydrophobicContact CB-CD2 4.38Å; L148-F300 HydrophobicContact CD1-CB 4.01Å; D149-F300 WeakPolarHBondContact CB-O 3.11Å; D149-F300 PolarHBondContact N-O 2.98Å; F152-F300 HydrophobicContact CB-CB 4.32Å; F152-F300 WeakPolarHBondContact CB-O 3.48Å; F152-F300 HydrophobicContact CD1-CB 3.54Å; F152-F300 HydrophobicContact CD1-CG 4.4Å; F152-F300 HydrophobicContact CD2-CB 4.36Å; F152-F300 HydrophobicContact CE1-CB 3.82Å; F152-F300 HydrophobicContact CE1-CD1 4.26Å; F152-F300 HydrophobicContact CE1-CG 4.3Å; F152-F300 HydrophobicContact CG-CB 3.81Å; F152-F300 HydrophobicContact CZ-CB 4.36Å; A157-F300 HydrophobicContact CB-CB 4.38Å; A157-F300 HydrophobicContact CB-CD2 3.84Å; A157-F300 HydrophobicContact CB-CE2 4.28Å; A157-F300 HydrophobicContact CB-CG 4.09Å; L160-F300 HydrophobicContact CB-CE1 3.82Å; L160-F300 HydrophobicContact CB-CZ 3.96Å; L160-F300 HydrophobicContact CD1-CD1 4.17Å; L160-F300 HydrophobicContact CD1-CE1 3.73Å; L160-F300 HydrophobicContact CG-CE1 4.45Å; L179-F300 HydrophobicContact CD1-CD2 4.22Å; L179-F300 HydrophobicContact CD1-CE2 4.01Å; F300-N322 VanDerWaalsContact CA-OD1 3.28Å; F300-N322 WeakPolarHBondContact CA-OD1 3.45Å
301S98.2Very high95.5Very high0 Ų040.5 Ų40.50%021%0.209CC..  trans-155.3142.3-174.1178.40000111.8D149 D151 S303 Q307 N322D149-S301 WeakPolarHBondContact OD2-CB 3.36Å; D149-S301 PolarHBondContact OD2-OG 2.86Å; D151-S301 WeakPolarHBondContact OD1-CA 3.45Å; S301-S303 PolarHBondContact OG-N 3.02Å; S301-S303 VanDerWaalsContact OG-N 3.08Å; S301-Q307 PolarHBondContact O-NE2 2.95Å; S301-N322 PolarHBondContact N-OD1 2.91Å; S301-N322 PolarHBondContact O-ND2 3.27Å; S301-N322 PolarHBondContact O-OD1 2.93Å
302H98Very high95.8Very high119 Ų11945.1 Ų45.155%0.55123%0.231SC*.SBendtrans-93.9-13.4167.8-65.6-49000112.9D151 F152 K304D151-H302 PolarHBondContact O-CD2 3.35Å; D151-H302 PolarHBondContact OD1-N 3.45Å; D151-H302 VanDerWaalsContact OD2-C 3.22Å; D151-H302 VanDerWaalsContact OD2-CA 3.29Å; D151-H302 WeakPolarHBondContact OD2-CA 3.46Å; D151-H302 VanDerWaalsContact OD2-CB 3.31Å; D151-H302 WeakPolarHBondContact OD2-CB 3.29Å; D151-H302 PolarHBondContact OD2-N 2.93Å; F152-H302 AromaticContact CD2-CE1 3.71Å; F152-H302 AromaticContact CD2-NE2 3.65Å; F152-H302 AromaticContact CE2-CE1 3.67Å; F152-H302 AromaticContact CE2-NE2 3.94Å; H302-K304 PolarHBondContact O-N 2.89Å
303S98Very high95.9Very high28 Ų2847 Ų4720%0.19624%0.241CC..  trans-74.1115.8-180174.50000111.5D151 S301 E305 H306 Q307D151-S303 PolarHBondContact OD2-N 2.96Å; S301-S303 PolarHBondContact OG-N 3.02Å; S301-S303 VanDerWaalsContact OG-N 3.08Å; S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 PolarHBondContact O-N 2.91Å; S303-H306 PolarHBondContact O-N 2.93Å; S303-H306 PolarHBondContact OG-N 3.39Å; S303-Q307 WeakPolarHBondContact O-CG 3.49Å; S303-Q307 PolarHBondContact O-N 2.87Å
304K97.4Very high96.2Very high134 Ų13445.5 Ų45.558%0.58323%0.231SC*.Hα-helixtrans-65.2-33.6176.5-175.256.6179171.40112.2H302 L308H302-K304 PolarHBondContact O-N 2.89Å; K304-L308 HydrophobicContact CD-CG 4.49Å; K304-L308 HydrophobicContact CG-CD1 4.34Å; K304-L308 WeakPolarHBondContact O-CG 3.29Å; K304-L308 PolarHBondContact O-N 2.74Å
305E97.8Very high96.2Very high150 Ų15046.8 Ų46.870%0.70124%0.237SC*.Hα-helixtrans-62.9-50.8177-179.4175-178.400110.7S303 Q307 L308 Y309S303-E305 VanDerWaalsContact C-N 3.26Å; S303-E305 PolarHBondContact O-N 2.91Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 3.2Å; E305-L308 PolarHBondContact O-N 2.82Å; E305-L308 VanDerWaalsContact O-N 3.16Å; E305-Y309 WeakPolarHBondContact O-CB 3.31Å; E305-Y309 PolarHBondContact O-N 3.37Å
306H98.1Very high96.2Very high44 Ų4448.1 Ų48.120%0.20425%0.246CC..Hα-helixtrans-64.7-37.2177.8-69.6-178000112.5D149 F277 S303 L308 Y309 A310D149-H306 IonicContact OD1-CE1 3.58Å; D149-H306 IonicContact OD1-ND1 3.49Å; D149-H306 PolarHBondContact OD1-ND1 3Å; D149-H306 IonicContact OD2-CE1 3.88Å; D149-H306 IonicContact OD2-CG 3.49Å; D149-H306 IonicContact OD2-ND1 3.59Å; D149-H306 PolarHBondContact OD2-ND1 3.17Å; F277-H306 HydrophobicContact CD1-CB 4.1Å; F277-H306 AromaticContact CD1-CD2 3.86Å; F277-H306 AromaticContact CD1-CG 3.72Å; F277-H306 AromaticContact CD1-ND1 3.93Å; F277-H306 AromaticContact CD2-ND1 3.84Å; F277-H306 HydrophobicContact CE1-CB 3.53Å; F277-H306 AromaticContact CE1-CG 3.69Å; F277-H306 HydrophobicContact CE2-CB 4.15Å; F277-H306 AromaticContact CG-CE1 3.91Å; F277-H306 AromaticContact CG-ND1 3.76Å; F277-H306 HydrophobicContact CZ-CB 3.57Å; S303-H306 PolarHBondContact O-N 2.93Å; S303-H306 PolarHBondContact OG-N 3.39Å; H306-L308 VanDerWaalsContact C-N 3.33Å; H306-L308 PolarHBondContact O-N 3.33Å; H306-Y309 PolarHBondContact O-N 2.91Å; H306-A310 VanDerWaalsContact O-CB 3.3Å; H306-A310 WeakPolarHBondContact O-CB 3.37Å; H306-A310 PolarHBondContact O-N 3.21Å
307Q98Very high96Very high39 Ų3951 Ų5118%0.18227%0.266CS..Hα-helixtrans-60.5-40.9173.2-71.3165.318.500112.7L299 S301 S303 E305 G311 V321L299-Q307 HydrophobicContact CD2-CB 4.24Å; L299-Q307 HydrophobicContact CD2-CG 3.86Å; S301-Q307 PolarHBondContact O-NE2 2.95Å; S303-Q307 WeakPolarHBondContact O-CG 3.49Å; S303-Q307 PolarHBondContact O-N 2.87Å; E305-Q307 VanDerWaalsContact C-N 3.34Å; E305-Q307 PolarHBondContact O-N 3.2Å; Q307-G311 PolarHBondContact O-N 3.22Å; Q307-V321 HydrophobicContact CG-CG1 3.94Å; Q307-V321 HydrophobicContact CG-CG2 4.37Å
308L97.5Very high95.9Very high89 Ų8952.5 Ų52.547%0.46627%0.271SS..Hα-helixtrans-71.1-46.9177.2-71.2171.6000110.7K304 E305 H306 A310 G311 E312K304-L308 HydrophobicContact CD-CG 4.49Å; K304-L308 HydrophobicContact CG-CD1 4.34Å; K304-L308 WeakPolarHBondContact O-CG 3.29Å; K304-L308 PolarHBondContact O-N 2.74Å; E305-L308 PolarHBondContact O-N 2.82Å; E305-L308 VanDerWaalsContact O-N 3.16Å; H306-L308 VanDerWaalsContact C-N 3.33Å; H306-L308 PolarHBondContact O-N 3.33Å; L308-A310 PolarHBondContact O-N 3.27Å; L308-G311 CarbonylContact O-C 3.22Å; L308-G311 WeakPolarHBondContact O-CA 3.35Å; L308-G311 PolarHBondContact O-N 2.94Å; L308-E312 WeakPolarHBondContact O-CG 3.16Å; L308-E312 PolarHBondContact O-N 3.31Å
309Y97.6Very high95.8Very high86 Ų8654.7 Ų54.734%0.33728%0.283SS..Hα-helixtrans-56.4-49.1177.9-176.2-98000112.1F277 E278 I281 E305 H306 G311 E312 V313F277-Y309 HydrophobicContact CD1-CD1 4.33Å; F277-Y309 HydrophobicContact CE1-CD1 4.03Å; E278-Y309 HydrophobicContact CG-CE1 4.14Å; I281-Y309 HydrophobicContact CB-CE1 4.2Å; I281-Y309 HydrophobicContact CG1-CD1 4.19Å; I281-Y309 HydrophobicContact CG1-CE1 4.15Å; I281-Y309 HydrophobicContact CG2-CE1 3.99Å; E305-Y309 WeakPolarHBondContact O-CB 3.31Å; E305-Y309 PolarHBondContact O-N 3.37Å; H306-Y309 PolarHBondContact O-N 2.91Å; Y309-G311 VanDerWaalsContact C-N 3.27Å; Y309-G311 PolarHBondContact O-N 2.64Å; Y309-E312 PolarHBondContact O-N 3.1Å; Y309-E312 VanDerWaalsContact O-N 3.14Å; Y309-V313 HydrophobicContact CD1-CG2 4.37Å; Y309-V313 HydrophobicContact CD2-CG2 4.16Å; Y309-V313 HydrophobicContact CE1-CG2 4.08Å; Y309-V313 HydrophobicContact CE2-CG2 3.87Å; Y309-V313 HydrophobicContact CG-CG2 4.41Å; Y309-V313 WeakPolarHBondContact O-CB 3.45Å; Y309-V313 WeakPolarHBondContact O-CG2 3.46Å; Y309-V313 PolarHBondContact O-N 3.39Å
310A97.1Very high95.8Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-59.9-37.7175.900000112.4I281 L299 H306 L308 E312 L314 L319I281-A310 HydrophobicContact CD1-CB 3.64Å; L299-A310 HydrophobicContact CD2-CB 4Å; H306-A310 VanDerWaalsContact O-CB 3.3Å; H306-A310 WeakPolarHBondContact O-CB 3.37Å; H306-A310 PolarHBondContact O-N 3.21Å; L308-A310 PolarHBondContact O-N 3.27Å; A310-E312 VanDerWaalsContact C-N 3.35Å; A310-L314 HydrophobicContact CB-CD1 4.17Å; A310-L314 VanDerWaalsContact O-CB 3.26Å; A310-L314 WeakPolarHBondContact O-CB 3.36Å; A310-L314 WeakPolarHBondContact O-CG 3.47Å; A310-L314 PolarHBondContact O-N 3.14Å; A310-L314 VanDerWaalsContact O-N 3.08Å; A310-L319 HydrophobicContact CB-CD2 3.94Å
311G95.1Very high95.7Very high47 Ų4756.6 Ų56.649%0.48529%0.294SS..Hα-helixtrans-70.6-26.7177.300000114.3Q307 L308 Y309Q307-G311 PolarHBondContact O-N 3.22Å; L308-G311 CarbonylContact O-C 3.22Å; L308-G311 WeakPolarHBondContact O-CA 3.35Å; L308-G311 PolarHBondContact O-N 2.94Å; Y309-G311 VanDerWaalsContact C-N 3.27Å; Y309-G311 PolarHBondContact O-N 2.64Å
312E92.3Very high95.7Very high158 Ų15859 Ų5974%0.73831%0.307SS*.Hα-helixtrans-85.5-32.5177.9-72.2175178.500112.6L308 Y309 A310L308-E312 WeakPolarHBondContact O-CG 3.16Å; L308-E312 PolarHBondContact O-N 3.31Å; Y309-E312 PolarHBondContact O-N 3.1Å; Y309-E312 VanDerWaalsContact O-N 3.14Å; A310-E312 VanDerWaalsContact C-N 3.35Å
313V89.5Confident95.6Very high42 Ų4254.9 Ų54.926%0.25529%0.288SS..Hα-helixtrans-98-38.2-170.9178.70000113.2I281 Q285 Y309I281-V313 HydrophobicContact CG2-CB 4.11Å; I281-V313 HydrophobicContact CG2-CG1 3.71Å; Q285-V313 PolarHBondContact NE2-O 3.26Å; Q285-V313 VanDerWaalsContact NE2-O 3.08Å; Y309-V313 HydrophobicContact CD1-CG2 4.37Å; Y309-V313 HydrophobicContact CD2-CG2 4.16Å; Y309-V313 HydrophobicContact CE1-CG2 4.08Å; Y309-V313 HydrophobicContact CE2-CG2 3.87Å; Y309-V313 HydrophobicContact CG-CG2 4.41Å; Y309-V313 WeakPolarHBondContact O-CB 3.45Å; Y309-V313 WeakPolarHBondContact O-CG2 3.46Å; Y309-V313 PolarHBondContact O-N 3.39Å
314L93.1Very high95.5Very high9 Ų954.5 Ų54.55%0.04729%0.285CS..SBendtrans-72.8129.8-176.1-66.7173000111I147 I281 A284 Q285 L288 A297 A310 V316 L319I147-L314 HydrophobicContact CD1-CD1 4.12Å; I281-L314 HydrophobicContact CD1-CD1 4.11Å; I281-L314 HydrophobicContact CD1-CD2 4.46Å; I281-L314 HydrophobicContact CD1-CG 4.3Å; I281-L314 HydrophobicContact CG2-CD2 4.11Å; I281-L314 HydrophobicContact CG2-CG 4.42Å; A284-L314 HydrophobicContact CB-CD2 3.81Å; Q285-L314 HydrophobicContact CB-CD2 4.35Å; L288-L314 HydrophobicContact CD1-CB 4.49Å; L288-L314 HydrophobicContact CD1-CD2 4.09Å; A297-L314 HydrophobicContact CB-CD1 3.89Å; A310-L314 HydrophobicContact CB-CD1 4.17Å; A310-L314 VanDerWaalsContact O-CB 3.26Å; A310-L314 WeakPolarHBondContact O-CB 3.36Å; A310-L314 WeakPolarHBondContact O-CG 3.47Å; A310-L314 PolarHBondContact O-N 3.14Å; A310-L314 VanDerWaalsContact O-N 3.08Å; L314-V316 HydrophobicContact CB-CG2 4.17Å; L314-V316 PolarHBondContact O-N 2.87Å; L314-L319 HydrophobicContact CD1-CD1 4.31Å
315P89.9Confident95.5Very high35 Ų3548.1 Ų48.123%0.22726%0.257CS..  trans-79.867-177.533.7-36.8000110.6Q285 L288 L289 G294Q285-P315 HydrophobicContact CG-CG 4.4Å; L288-P315 HydrophobicContact CB-CG 4.02Å; L288-P315 HydrophobicContact CD1-CG 4.36Å; L289-P315 HydrophobicContact CD2-CG 4.17Å; L289-P315 HydrophobicContact CG-CG 4.4Å; G294-P315 WeakPolarHBondContact CA-O 3.47Å; G294-P315 PolarHBondContact N-O 2.92Å
316V93.4Very high95.3Very high30 Ų3042.4 Ų42.418%0.18223%0.231CC..EExtended strand (participates in β ladder)trans-132.4150.6-177.1-61.90000112.2L288 A297 L314L288-V316 HydrophobicContact CD1-CG1 3.63Å; L288-V316 HydrophobicContact CD2-CG1 3.9Å; L288-V316 HydrophobicContact CG-CG1 4.4Å; A297-V316 HydrophobicContact CB-CG1 4.08Å; A297-V316 HydrophobicContact CB-CG2 4.13Å; L314-V316 HydrophobicContact CB-CG2 4.17Å; L314-V316 PolarHBondContact O-N 2.87Å
317S92.7Very high95.1Very high60 Ų6041.9 Ų41.942%0.4223%0.23SC..EExtended strand (participates in β ladder)trans-83.2-16.4174-57.30000112.9G294 G343G294-S317 WeakPolarHBondContact O-CB 3.27Å; G294-S317 PolarHBondContact O-N 3.3Å; G294-S317 PolarHBondContact O-OG 3.28Å; S317-G343 PolarHBondContact OG-O 3.34Å
318R95.2Very high95Very high32 Ų3240.1 Ų40.112%0.12122%0.222CC..EExtended strand (participates in β ladder)trans-141.9117.2-176-68.7150.9-68.9-87.51.8110.4G294 H295 S296 A297 A328 L336 G343G294-R318 PolarHBondContact O-NH2 2.82Å; H295-R318 PolarHBondContact O-NE 3.47Å; H295-R318 PolarHBondContact O-NH2 3.41Å; S296-R318 CarbonylContact C-O 3.54Å; S296-R318 WeakPolarHBondContact CA-O 3.47Å; S296-R318 PolarHBondContact OG-NE 3.11Å; A297-R318 PolarHBondContact N-O 3.32Å; R318-A328 HydrophobicContact CB-CB 4.41Å; R318-A328 VanDerWaalsContact CD-O 3.3Å; R318-A328 WeakPolarHBondContact CD-O 3.42Å; R318-L336 HydrophobicContact CG-CD1 4.22Å; R318-L336 HydrophobicContact CG-CD2 4.4Å; R318-G343 VanDerWaalsContact CZ-O 3.28Å; R318-G343 PolarHBondContact NH1-O 3.2Å; R318-G343 PolarHBondContact NH2-O 3.4Å
319L96.8Very high94.7Very high45 Ų4536.4 Ų36.424%0.23621%0.205CC..EExtended strand (participates in β ladder)trans-109.1116.6167.6178.963.9000108.2A297 L299 A310 L314 V321A297-L319 HydrophobicContact CB-CD1 3.84Å; A297-L319 WeakPolarHBondContact O-CA 3.48Å; L299-L319 HydrophobicContact CB-CD1 4.13Å; A310-L319 HydrophobicContact CB-CD2 3.94Å; L314-L319 HydrophobicContact CD1-CD1 4.31Å; L319-V321 HydrophobicContact CG-CG2 4.41Å
320V97.2Very high94.4Very high4 Ų432.5 Ų32.52%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-94.7131.3173.1-63.80000109.9A297 G298 L299 Q323 T325 A328 L336A297-V320 PolarHBondContact O-N 2.97Å; G298-V320 CarbonylContact C-O 3.43Å; G298-V320 WeakPolarHBondContact CA-O 3.37Å; L299-V320 PolarHBondContact N-O 3.37Å; V320-Q323 HydrophobicContact CB-CB 4.34Å; V320-T325 HydrophobicContact CG2-CG2 4.49Å; V320-A328 HydrophobicContact CG1-CB 3.95Å; V320-L336 HydrophobicContact CG1-CD1 4.29Å
321V97.5Very high94Very high38 Ų3833 Ų3323%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-109.8128.8-178.1-178.20000109.1L299 Q307 L319 Q323L299-V321 CarbonylContact O-C 3.49Å; L299-V321 VanDerWaalsContact O-CA 3.31Å; L299-V321 WeakPolarHBondContact O-CA 3.46Å; Q307-V321 HydrophobicContact CG-CG1 3.94Å; Q307-V321 HydrophobicContact CG-CG2 4.37Å; L319-V321 HydrophobicContact CG-CG2 4.41Å; V321-Q323 VanDerWaalsContact C-N 3.26Å; V321-Q323 PolarHBondContact O-N 3.43Å; V321-Q323 PolarHBondContact O-NE2 3.05Å
322N97.3Very high93.8Very high51 Ų5136.4 Ų36.427%0.27321%0.208SC..SBendtrans54.239.2176.2-56.2-23000113.5F152 L299 F300 S301F152-N322 WeakPolarHBondContact CD2-OD1 3.46Å; F152-N322 HydrophobicContact CE2-CB 3.9Å; F152-N322 WeakPolarHBondContact CE2-OD1 3.43Å; F152-N322 HydrophobicContact CZ-CB 4.16Å; L299-N322 PolarHBondContact O-N 3.22Å; L299-N322 PolarHBondContact O-OD1 3.36Å; F300-N322 VanDerWaalsContact CA-OD1 3.28Å; F300-N322 WeakPolarHBondContact CA-OD1 3.45Å; S301-N322 PolarHBondContact N-OD1 2.91Å; S301-N322 PolarHBondContact O-ND2 3.27Å; S301-N322 PolarHBondContact O-OD1 2.93Å
323Q96.4Very high93.6Very high32 Ų3232.3 Ų32.315%0.1520%0.201CC..SBendtrans-142.1154.4-175.8-79.1166.384.600109.8V320 V321 T325 D327 N334V320-Q323 HydrophobicContact CB-CB 4.34Å; V321-Q323 VanDerWaalsContact C-N 3.26Å; V321-Q323 PolarHBondContact O-N 3.43Å; V321-Q323 PolarHBondContact O-NE2 3.05Å; Q323-T325 PolarHBondContact O-N 3.23Å; Q323-D327 HydrophobicContact CB-CB 4.41Å; Q323-N334 PolarHBondContact OE1-ND2 2.83Å
324P96.3Very high93.7Very high19 Ų1932 Ų3212%0.12320%0.198CC..  trans-64.8138170.630.1-30.7000108.9L160 I163 I326 D327L160-P324 HydrophobicContact CD2-CB 4.37Å; L160-P324 HydrophobicContact CD2-CG 4.34Å; I163-P324 HydrophobicContact CB-CB 4.44Å; I163-P324 HydrophobicContact CG2-CB 4.02Å; I163-P324 HydrophobicContact CG2-CG 4.37Å; P324-I326 HydrophobicContact CB-CG2 4.19Å; P324-I326 HydrophobicContact CG-CG2 4.23Å; P324-I326 PolarHBondContact O-N 3Å; P324-D327 VanDerWaalsContact O-CB 3.3Å; P324-D327 WeakPolarHBondContact O-CB 3.39Å; P324-D327 PolarHBondContact O-N 2.92Å
325T95.8Very high93.6Very high0 Ų035.7 Ų35.70%024%0.238CC..G310 helixtrans-56.8-26-173.546.70000114.8V144 A146 A174 Q176 V320 Q323 D327 A328V144-T325 HydrophobicContact CG1-CG2 3.6Å; A146-T325 HydrophobicContact CB-CG2 4.46Å; A174-T325 CarbonylContact O-C 3.07Å; A174-T325 WeakPolarHBondContact O-CB 3.5Å; A174-T325 PolarHBondContact O-OG1 2.82Å; Q176-T325 HydrophobicContact CB-CG2 4.04Å; Q176-T325 WeakPolarHBondContact CB-OG1 3.47Å; Q176-T325 HydrophobicContact CG-CG2 4.28Å; Q176-T325 PolarHBondContact N-OG1 3.23Å; Q176-T325 VanDerWaalsContact N-OG1 3.12Å; V320-T325 HydrophobicContact CG2-CG2 4.49Å; Q323-T325 PolarHBondContact O-N 3.23Å; T325-D327 PolarHBondContact O-N 3Å; T325-D327 VanDerWaalsContact O-N 3.12Å; T325-A328 WeakPolarHBondContact O-CB 3.33Å; T325-A328 PolarHBondContact O-N 2.92Å
326I94.3Very high93.7Very high30 Ų3036.9 Ų36.915%0.15424%0.242CC..G310 helixtrans-57.2-25.2174.3-161.664.9000112.9F167 V172 A174 P324 A328 G329F167-I326 HydrophobicContact CB-CD1 4.38Å; F167-I326 HydrophobicContact CB-CG1 4.35Å; F167-I326 HydrophobicContact CD1-CD1 3.56Å; F167-I326 HydrophobicContact CD1-CG1 3.82Å; F167-I326 HydrophobicContact CD2-CG1 4.31Å; F167-I326 HydrophobicContact CE1-CD1 4.06Å; F167-I326 HydrophobicContact CE1-CG1 4.2Å; F167-I326 HydrophobicContact CG-CD1 4.03Å; F167-I326 HydrophobicContact CG-CG1 3.89Å; V172-I326 HydrophobicContact CB-CD1 3.96Å; V172-I326 HydrophobicContact CG1-CD1 3.72Å; V172-I326 HydrophobicContact CG2-CD1 4.49Å; A174-I326 HydrophobicContact CB-CD1 4.3Å; P324-I326 HydrophobicContact CB-CG2 4.19Å; P324-I326 HydrophobicContact CG-CG2 4.23Å; P324-I326 PolarHBondContact O-N 3Å; I326-A328 PolarHBondContact O-N 3.45Å; I326-G329 PolarHBondContact O-N 3.19Å
327D94.9Very high93.6Very high34 Ų3440.8 Ų40.818%0.18226%0.262CS..G310 helixtrans-70.3-8.1177.2-81.14.3000113.4Q323 P324 T325 G329 G330 S331 N334Q323-D327 HydrophobicContact CB-CB 4.41Å; P324-D327 VanDerWaalsContact O-CB 3.3Å; P324-D327 WeakPolarHBondContact O-CB 3.39Å; P324-D327 PolarHBondContact O-N 2.92Å; T325-D327 PolarHBondContact O-N 3Å; T325-D327 VanDerWaalsContact O-N 3.12Å; D327-G329 PolarHBondContact O-N 2.98Å; D327-G329 VanDerWaalsContact O-N 3.16Å; D327-G330 PolarHBondContact O-N 2.86Å; D327-S331 WeakPolarHBondContact OD1-CB 3.47Å; D327-S331 WeakPolarHBondContact OD2-CB 3.22Å; D327-S331 PolarHBondContact OD2-OG 3Å; D327-N334 PolarHBondContact O-ND2 3.33Å
328A94.2Very high93.7Very high1 Ų138.8 Ų38.81%0.00825%0.248CC..G310 helixtrans-60.9-19.2169.900000112.5A174 S296 R318 V320 T325 I326 G330A174-A328 HydrophobicContact CB-CB 4.48Å; S296-A328 WeakPolarHBondContact OG-CB 3.4Å; R318-A328 HydrophobicContact CB-CB 4.41Å; R318-A328 VanDerWaalsContact CD-O 3.3Å; R318-A328 WeakPolarHBondContact CD-O 3.42Å; V320-A328 HydrophobicContact CG1-CB 3.95Å; T325-A328 WeakPolarHBondContact O-CB 3.33Å; T325-A328 PolarHBondContact O-N 2.92Å; I326-A328 PolarHBondContact O-N 3.45Å; A328-G330 PolarHBondContact O-N 2.95Å
329G91.2Very high93.6Very high11 Ų1138.9 Ų38.911%0.11325%0.252CS..G310 helixtrans-68.3-11.6169.400000114.9M1 I326 D327 P338 T339M1-G329 WeakPolarHBondContact CE-O 3.5Å; I326-G329 PolarHBondContact O-N 3.19Å; D327-G329 PolarHBondContact O-N 2.98Å; D327-G329 VanDerWaalsContact O-N 3.16Å; G329-P338 CarbonylContact O-C 3.55Å; G329-P338 VanDerWaalsContact O-CA 3.3Å; G329-P338 WeakPolarHBondContact O-CA 3.36Å; G329-T339 PolarHBondContact O-N 3.3Å
330G91.7Very high93.3Very high4 Ų437.6 Ų37.64%0.04125%0.246CC..  trans95111.9-171.500000111.8D327 A328D327-G330 PolarHBondContact O-N 2.86Å; A328-G330 PolarHBondContact O-N 2.95Å
331S90.1Very high93Very high12 Ų1238.5 Ų38.58%0.08425%0.252CS..  trans-125.5162.1-179.386.90000110.5D327 A333 N334D327-S331 WeakPolarHBondContact OD1-CB 3.47Å; D327-S331 WeakPolarHBondContact OD2-CB 3.22Å; D327-S331 PolarHBondContact OD2-OG 3Å; S331-A333 PolarHBondContact O-N 2.86Å; S331-A333 VanDerWaalsContact O-N 3.07Å; S331-A333 WeakPolarHBondContact OG-CB 3.46Å; S331-A333 PolarHBondContact OG-N 2.99Å; S331-A333 VanDerWaalsContact OG-N 3.11Å; S331-N334 PolarHBondContact N-OD1 2.8Å; S331-N334 PolarHBondContact O-N 3.14Å; S331-N334 VanDerWaalsContact O-N 3.1Å; S331-N334 PolarHBondContact OG-ND2 2.75Å
332P88.9Confident92.6Very high117 Ų11737.3 Ų37.376%0.7624%0.244SC*.THydrogen-bonded Turntrans-59.6-14.4171.8-23.635.1000114.3
333A88.6Confident92.2Very high72 Ų7236.6 Ų36.660%0.59525%0.249SC*.THydrogen-bonded Turntrans-82.6-11.4177.700000113.1S331S331-A333 PolarHBondContact O-N 2.86Å; S331-A333 VanDerWaalsContact O-N 3.07Å; S331-A333 WeakPolarHBondContact OG-CB 3.46Å; S331-A333 PolarHBondContact OG-N 2.99Å; S331-A333 VanDerWaalsContact OG-N 3.11Å
334N92.3Very high91.7Very high37 Ų3735.6 Ų35.620%0.19825%0.246CC..SBendtrans-136.7170.5179.563.256.1000113.8Q323 D327 S331 L336Q323-N334 PolarHBondContact OE1-ND2 2.83Å; D327-N334 PolarHBondContact O-ND2 3.33Å; S331-N334 PolarHBondContact N-OD1 2.8Å; S331-N334 PolarHBondContact O-N 3.14Å; S331-N334 VanDerWaalsContact O-N 3.1Å; S331-N334 PolarHBondContact OG-ND2 2.75Å; N334-L336 VanDerWaalsContact OD1-CB 3.31Å; N334-L336 WeakPolarHBondContact OD1-CB 3.22Å; N334-L336 PolarHBondContact OD1-N 3.01Å; N334-L336 VanDerWaalsContact OD1-N 3.13Å
335G90.4Very high90.8Very high85 Ų8537.6 Ų37.688%0.87627%0.269SS*.SBendtrans-88.96.418000000114.7
336L93.3Very high89.4Confident60 Ų6043.4 Ų43.431%0.31431%0.305SS..SBendtrans-70.6141.8179.5-60.7174000109.8R318 V320 N334 P338R318-L336 HydrophobicContact CG-CD1 4.22Å; R318-L336 HydrophobicContact CG-CD2 4.4Å; V320-L336 HydrophobicContact CG1-CD1 4.29Å; N334-L336 VanDerWaalsContact OD1-CB 3.31Å; N334-L336 WeakPolarHBondContact OD1-CB 3.22Å; N334-L336 PolarHBondContact OD1-N 3.01Å; N334-L336 VanDerWaalsContact OD1-N 3.13Å; L336-P338 VanDerWaalsContact O-CD 3.24Å; L336-P338 WeakPolarHBondContact O-CD 3.31Å
337N91Very high87.9Confident113 Ų11348 Ų4860%0.60433%0.325SS*.PPolyproline II helixtrans-66121.6174.6-74.2-52.2000109.5T339N337-T339 PolarHBondContact O-N 2.92Å; N337-T339 VanDerWaalsContact O-N 3.15Å
338P93.7Very high86.8Confident18 Ų1851.4 Ų51.412%0.11734%0.339CS..PPolyproline II helixtrans-59.2120.6176.7-24.935.8000111.1M1 N4 I5 G329 L336M1-P338 HydrophobicContact CE-CB 3.87Å; N4-P338 HydrophobicContact CB-CB 3.81Å; N4-P338 HydrophobicContact CB-CG 3.87Å; I5-P338 HydrophobicContact CG1-CB 3.98Å; G329-P338 CarbonylContact O-C 3.55Å; G329-P338 VanDerWaalsContact O-CA 3.3Å; G329-P338 WeakPolarHBondContact O-CA 3.36Å; L336-P338 VanDerWaalsContact O-CD 3.24Å; L336-P338 WeakPolarHBondContact O-CD 3.31Å
339T92.7Very high86.2Confident33 Ų3354.4 Ų54.420%0.20235%0.354CS..  trans-145.3152.8178.6-1750000113.3M1 G329 N337 S341 L342M1-T339 WeakPolarHBondContact CE-O 3.39Å; G329-T339 PolarHBondContact O-N 3.3Å; N337-T339 PolarHBondContact O-N 2.92Å; N337-T339 VanDerWaalsContact O-N 3.15Å; T339-S341 PolarHBondContact OG1-N 3.4Å; T339-S341 VanDerWaalsContact OG1-N 3.12Å; T339-S341 PolarHBondContact OG1-O 3.27Å; T339-S341 VanDerWaalsContact OG1-O 3.07Å; T339-L342 HydrophobicContact CG2-CD2 3.63Å; T339-L342 HydrophobicContact CG2-CG 4.45Å
340V90.9Very high86.1Confident19 Ų1957.7 Ų57.712%0.11536%0.363CS..SBendtrans-100.5-3.6174.2-68.70000112.7M1 I5 I47 T48 N52M1-V340 HydrophobicContact CE-CG1 4.38Å; M1-V340 HydrophobicContact CG-CG1 3.99Å; I5-V340 HydrophobicContact CD1-CG1 4.05Å; I47-V340 HydrophobicContact CG1-CG1 3.78Å; I47-V340 HydrophobicContact CG2-CG1 4.5Å; T48-V340 HydrophobicContact CG2-CG2 4.36Å; N52-V340 WeakPolarHBondContact OD1-CG2 3.49Å
341S90.8Very high86.2Confident22 Ų2258 Ų5815%0.15436%0.363CS..SBendtrans-126.9102.2179.7-59.20000107.9N52 T120 T339N52-S341 PolarHBondContact OD1-OG 3.24Å; T120-S341 PolarHBondContact OG1-OG 2.93Å; T339-S341 PolarHBondContact OG1-N 3.4Å; T339-S341 VanDerWaalsContact OG1-N 3.12Å; T339-S341 PolarHBondContact OG1-O 3.27Å; T339-S341 VanDerWaalsContact OG1-O 3.07Å
342L90.7Very high86.5Confident13 Ų1357.4 Ų57.47%0.06836%0.359CS..  trans-94102.6-174.9-65.4168.4000109.7V139 A174 T339V139-L342 WeakPolarHBondContact CB-O 3.49Å; V139-L342 WeakPolarHBondContact CG1-O 3.24Å; A174-L342 HydrophobicContact CB-CD1 4.3Å; T339-L342 HydrophobicContact CG2-CD2 3.63Å; T339-L342 HydrophobicContact CG2-CG 4.45Å
343G88.1Confident86.8Confident36 Ų3651.8 Ų51.837%0.37132%0.323SS..  trans-67.5138.6176.700000111.4S317 R318S317-G343 PolarHBondContact OG-O 3.34Å; R318-G343 VanDerWaalsContact CZ-O 3.28Å; R318-G343 PolarHBondContact NH1-O 3.2Å; R318-G343 PolarHBondContact NH2-O 3.4Å
344C84.9Confident87.2Confident12 Ų1248.4 Ų48.48%0.08130%0.295CS..  trans-103.320.8-176.9-63.60000113.8G140 G294G140-C344 VanDerWaalsContact CA-SG 3.54Å; G140-C344 PolarHBondContact N-SG 3.07Å; G294-C344 WeakPolarHBondContact CA-O 3.34Å; G294-C344 WeakPolarHBondContact O-CA 3.44Å
345G78.7Confident87.2Confident60 Ų6046.8 Ų46.862%0.61929%0.286SS*.  trans69.7-164.8179.700000113.6
346V65.8Low87.3Confident123 Ų12342.7 Ų42.775%0.74525%0.245SC*.  trans-84.7114.6173.9-177.20000107.2
347Q62.1Low87.2Confident125 Ų12541.7 Ų41.758%0.58424%0.239SC*.PPolyproline II helixtrans-72.1130.5163-72.5-175.7-2.600107.7
348K72.6Confident86.9Confident106 Ų10637.8 Ų37.846%0.46122%0.219SC..PPolyproline II helixtrans-59142.2170.5-71.8-177.3168.3-162.20108.8L374 E375K348-L374 WeakPolarHBondContact CD-O 3.46Å; K348-E375 HydrophobicContact CB-CB 3.8Å; K348-E375 HydrophobicContact CD-CB 4.36Å
349I81.5Confident86.6Confident64 Ų6441 Ų4133%0.32823%0.232SC..EExtended strand (participates in β ladder)trans-83.2120.8178.8-62.7175.3000107.2I351 Y373 L374 E375 D421 F422I349-I351 PolarHBondContact O-N 2.8Å; I349-Y373 WeakPolarHBondContact CB-O 3.25Å; I349-Y373 PolarHBondContact N-O 2.72Å; I349-L374 HydrophobicContact CB-CD2 4.29Å; I349-L374 WeakPolarHBondContact O-CA 3.45Å; I349-E375 PolarHBondContact O-N 3.5Å; I349-D421 HydrophobicContact CG2-CB 3.81Å; I349-F422 HydrophobicContact CD1-CE2 4.44Å; I349-F422 HydrophobicContact CG2-CD2 3.21Å; I349-F422 HydrophobicContact CG2-CE2 3.41Å; I349-F422 VanDerWaalsContact CG2-CE2 3.41Å; I349-F422 HydrophobicContact CG2-CG 4.38Å
350R88.9Confident86.1Confident80 Ų8044.4 Ų44.430%0.30225%0.248SC..EExtended strand (participates in β ladder)trans-77.8117.6179.9-64.5161.8-62.3160.210.3109.7E375 N418 E419 L420 D421 F422R350-E375 VanDerWaalsContact CA-O 3.31Å; R350-E375 WeakPolarHBondContact CA-O 3.42Å; R350-E375 HydrophobicContact CG-CB 4.17Å; R350-E375 HydrophobicContact CG-CG 4.37Å; R350-N418 PolarHBondContact NH1-O 2.93Å; R350-N418 PolarHBondContact NH2-O 3.48Å; R350-E419 WeakPolarHBondContact CD-O 3.43Å; R350-E419 PolarHBondContact NH1-O 3Å; R350-L420 HydrophobicContact CB-CD2 4.42Å; R350-D421 WeakPolarHBondContact CB-OD2 3.32Å; R350-D421 IonicContact CZ-OD2 3.44Å; R350-D421 PolarHBondContact N-OD2 2.99Å; R350-D421 IonicContact NE-OD2 2.8Å; R350-D421 PolarHBondContact NE-OD2 2.93Å; R350-D421 IonicContact NH2-OD1 3.93Å; R350-D421 PolarHBondContact NH2-OD1 3.05Å; R350-D421 VanDerWaalsContact NH2-OD1 3.14Å; R350-D421 IonicContact NH2-OD2 2.76Å; R350-D421 PolarHBondContact NH2-OD2 3.3Å; R350-D421 PolarHBondContact O-N 2.87Å; R350-F422 PolarHBondContact O-N 2.72Å; R350-F422 VanDerWaalsContact O-N 3.11Å
351I94.3Very high85.8Confident10 Ų1043.5 Ų43.55%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-114118.6-178.9-172.8167.2000110.2I349 V365 L374 E375 P376 V377 F422 M424I349-I351 PolarHBondContact O-N 2.8Å; I351-V365 HydrophobicContact CD1-CG1 4.31Å; I351-V365 HydrophobicContact CG2-CG1 4.15Å; I351-L374 HydrophobicContact CB-CD2 4.45Å; I351-L374 HydrophobicContact CG2-CB 4.2Å; I351-L374 HydrophobicContact CG2-CD1 4.26Å; I351-L374 HydrophobicContact CG2-CD2 4.19Å; I351-L374 HydrophobicContact CG2-CG 4.45Å; I351-E375 PolarHBondContact N-O 2.78Å; I351-P376 HydrophobicContact CG2-CB 4.24Å; I351-V377 PolarHBondContact O-N 3.3Å; I351-F422 HydrophobicContact CB-CB 4.4Å; I351-F422 HydrophobicContact CD1-CB 4.43Å; I351-F422 HydrophobicContact CG1-CB 4.03Å; I351-M424 HydrophobicContact CD1-CB 4.06Å; I351-M424 HydrophobicContact CD1-SD 4.12Å; I351-M424 HydrophobicContact CG1-CB 4.16Å
352G96.1Very high85.8Confident0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-86.3110174.900000111.1V354 V377 F422 L423 M424G352-V354 PolarHBondContact O-N 3.25Å; G352-V377 CarbonylContact C-O 3.58Å; G352-V377 WeakPolarHBondContact CA-O 2.89Å; G352-F422 PolarHBondContact N-O 3.07Å; G352-L423 CarbonylContact O-C 3.46Å; G352-L423 WeakPolarHBondContact O-CA 3.46Å; G352-M424 PolarHBondContact O-N 3.3Å
353V96.1Very high85.7Confident0 Ų045.4 Ų45.40%025%0.248CC..EExtended strand (participates in β ladder)trans-87.3105.7173.3-174.60000108.4A356 T361 V365 V377 L378 I379 M424V353-A356 HydrophobicContact CB-CB 4.04Å; V353-A356 HydrophobicContact CG1-CB 3.61Å; V353-T361 HydrophobicContact CG1-CG2 3.31Å; V353-V365 HydrophobicContact CG2-CG1 3.64Å; V353-V365 HydrophobicContact CG2-CG2 4.28Å; V353-V377 PolarHBondContact N-O 3.45Å; V353-L378 HydrophobicContact CB-CD2 3.79Å; V353-L378 HydrophobicContact CG1-CD2 4.48Å; V353-L378 HydrophobicContact CG2-CD2 3.74Å; V353-I379 PolarHBondContact O-N 3.25Å; V353-M424 HydrophobicContact CG2-CB 4.45Å; V353-M424 HydrophobicContact CG2-SD 4.34Å
354V95.8Very high85.7Confident0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-84.1118.9-174.5-178.40000109.7G352 I379 C407 L423 M424 G426 L428 F433G352-V354 PolarHBondContact O-N 3.25Å; V354-I379 HydrophobicContact CG2-CD1 4.39Å; V354-C407 HydrophobicContact CG1-CB 4.01Å; V354-L423 HydrophobicContact CG2-CD2 4.01Å; V354-M424 PolarHBondContact N-O 2.91Å; V354-G426 WeakPolarHBondContact O-CA 3.24Å; V354-G426 PolarHBondContact O-N 3.14Å; V354-L428 HydrophobicContact CG1-CD1 3.77Å; V354-L428 HydrophobicContact CG1-CD2 4.44Å; V354-L428 WeakPolarHBondContact O-CD2 3.36Å; V354-F433 HydrophobicContact CB-CE2 4.18Å; V354-F433 HydrophobicContact CB-CZ 4.46Å; V354-F433 HydrophobicContact CG1-CD2 4.09Å; V354-F433 HydrophobicContact CG1-CE2 4.08Å; V354-F433 HydrophobicContact CG2-CE2 3.8Å; V354-F433 HydrophobicContact CG2-CZ 4.04Å
355C93.8Very high86Confident3 Ų344.8 Ų44.82%0.0224%0.239CC..THydrogen-bonded Turntrans64.258.5-173.8-152.50000112N357 I379 C407 H427 L428C355-N357 PolarHBondContact O-N 3.18Å; C355-N357 PolarHBondContact SG-ND2 3Å; C355-I379 CarbonylContact C-O 3.55Å; C355-I379 WeakPolarHBondContact CA-O 3.42Å; C355-I379 PolarHBondContact N-O 3.28Å; C355-C407 HydrophobicContact CB-CB 4.02Å; C355-H427 PolarHBondContact O-N 3.37Å; C355-H427 PolarHBondContact SG-O 3.01Å; C355-L428 HydrophobicContact CB-CB 3.86Å; C355-L428 HydrophobicContact CB-CD1 4.23Å; C355-L428 HydrophobicContact CB-CD2 4.01Å; C355-L428 HydrophobicContact CB-CG 4.25Å
356A92.5Very high86.6Confident0 Ų043.3 Ų43.30%022%0.215CC..  trans-77.342.8-178.500000113.2V353 D358 V362 L378 I379 I385V353-A356 HydrophobicContact CB-CB 4.04Å; V353-A356 HydrophobicContact CG1-CB 3.61Å; A356-D358 VanDerWaalsContact C-N 3.32Å; A356-D358 PolarHBondContact O-N 2.92Å; A356-V362 HydrophobicContact CB-CG2 4.16Å; A356-V362 WeakPolarHBondContact O-CG2 3.26Å; A356-L378 HydrophobicContact CB-CB 3.97Å; A356-L378 HydrophobicContact CB-CD2 4.1Å; A356-I379 PolarHBondContact N-O 2.76Å; A356-I385 HydrophobicContact CB-CD1 4.17Å; A356-I385 HydrophobicContact CB-CG1 4.36Å; A356-I385 VanDerWaalsContact O-CG1 3.29Å; A356-I385 WeakPolarHBondContact O-CG1 3.29Å
357N89.7Confident87.6Confident38 Ų3841.4 Ų41.420%0.20320%0.201CC..  trans-86.10.2-167.1-68.8-16.2000114.4C355 G380 D381C355-N357 PolarHBondContact O-N 3.18Å; C355-N357 PolarHBondContact SG-ND2 3Å; N357-G380 WeakPolarHBondContact OD1-CA 3.41Å; N357-D381 PolarHBondContact OD1-N 3.41Å
358D85.9Confident88.6Confident32 Ų3242.6 Ų42.617%0.17121%0.206CC..SBendtrans-127.7151.6-177.973.8-77.5000111.9A356 I360 T361 V362 H427A356-D358 VanDerWaalsContact C-N 3.32Å; A356-D358 PolarHBondContact O-N 2.92Å; D358-I360 PolarHBondContact O-N 3.19Å; D358-I360 PolarHBondContact OD2-N 2.78Å; D358-T361 WeakPolarHBondContact OD1-CB 3.47Å; D358-T361 PolarHBondContact OD1-OG1 2.81Å; D358-T361 PolarHBondContact OD2-N 2.87Å; D358-T361 PolarHBondContact OD2-OG1 3.14Å; D358-V362 WeakPolarHBondContact O-CG2 2.91Å; D358-V362 PolarHBondContact O-N 2.94Å; D358-H427 WeakPolarHBondContact OD1-CB 3.46Å
359E86.4Confident89.1Confident85 Ų8546 Ų4640%0.39722%0.221SC..Hα-helixtrans-64.4-39.6-173.4-177.7173.4-17300113.1V362 Q363 I388 H392E359-V362 PolarHBondContact O-N 3.08Å; E359-Q363 HydrophobicContact CG-CG 4.28Å; E359-Q363 VanDerWaalsContact CG-NE2 3.34Å; E359-Q363 WeakPolarHBondContact O-CB 3.37Å; E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 2.98Å; E359-Q363 PolarHBondContact OE1-NE2 2.97Å; E359-I388 HydrophobicContact CB-CD1 4.47Å; E359-I388 HydrophobicContact CB-CG1 4.49Å; E359-I388 HydrophobicContact CB-CG2 4.44Å; E359-I388 HydrophobicContact CG-CG2 4.26Å; E359-H392 IonicContact OE1-CD2 2.74Å; E359-H392 IonicContact OE1-CE1 3.21Å; E359-H392 PolarHBondContact OE1-CE1 2.92Å; E359-H392 VanDerWaalsContact OE1-CE1 3.31Å; E359-H392 IonicContact OE1-NE2 2.81Å; E359-H392 PolarHBondContact OE1-NE2 2.83Å
360I81.8Confident89.3Confident104 Ų10445.4 Ų45.453%0.53322%0.221SC..Hα-helixtrans-64.4-46.3-177.4-62.7173.5000110.2D358 V362 Q363 S364D358-I360 PolarHBondContact O-N 3.19Å; D358-I360 PolarHBondContact OD2-N 2.78Å; I360-V362 PolarHBondContact O-N 2.71Å; I360-Q363 PolarHBondContact O-N 2.98Å; I360-S364 WeakPolarHBondContact O-CB 3.2Å; I360-S364 PolarHBondContact O-N 2.84Å; I360-S364 VanDerWaalsContact O-N 3.08Å
361T86Confident89.1Confident0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-61.2-45.9177.1-57.40000110.7V353 D358 S364V353-T361 HydrophobicContact CG1-CG2 3.31Å; D358-T361 WeakPolarHBondContact OD1-CB 3.47Å; D358-T361 PolarHBondContact OD1-OG1 2.81Å; D358-T361 PolarHBondContact OD2-N 2.87Å; D358-T361 PolarHBondContact OD2-OG1 3.14Å; T361-S364 WeakPolarHBondContact O-CB 3.48Å; T361-S364 PolarHBondContact O-N 2.81Å; T361-S364 PolarHBondContact O-OG 3.04Å
362V90.6Very high88.4Confident0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-63.2-48.8179.1174.30000111.3A356 D358 E359 I360 S364 V365 F366 L378 I388 L389A356-V362 HydrophobicContact CB-CG2 4.16Å; A356-V362 WeakPolarHBondContact O-CG2 3.26Å; D358-V362 WeakPolarHBondContact O-CG2 2.91Å; D358-V362 PolarHBondContact O-N 2.94Å; E359-V362 PolarHBondContact O-N 3.08Å; I360-V362 PolarHBondContact O-N 2.71Å; V362-S364 PolarHBondContact O-N 3.37Å; V362-V365 WeakPolarHBondContact O-CG2 3.5Å; V362-V365 PolarHBondContact O-N 3.24Å; V362-F366 HydrophobicContact CG1-CD2 4.29Å; V362-F366 HydrophobicContact CG1-CE2 4.2Å; V362-F366 WeakPolarHBondContact O-CD2 3.27Å; V362-L378 HydrophobicContact CG1-CD1 4.04Å; V362-L378 HydrophobicContact CG2-CD1 4.26Å; V362-I388 HydrophobicContact CB-CG2 3.89Å; V362-I388 HydrophobicContact CG1-CG2 3.75Å; V362-I388 HydrophobicContact CG2-CD1 4.31Å; V362-I388 HydrophobicContact CG2-CG2 4.31Å; V362-L389 HydrophobicContact CG1-CD2 4.24Å
363Q89.3Confident87.7Confident75 Ų7557.7 Ų57.735%0.3528%0.275SS..Hα-helixtrans-60.1-30.2179-73.6-179.211.500112.9E359 I360 V365 F366 N367 H392 F394E359-Q363 HydrophobicContact CG-CG 4.28Å; E359-Q363 VanDerWaalsContact CG-NE2 3.34Å; E359-Q363 WeakPolarHBondContact O-CB 3.37Å; E359-Q363 WeakPolarHBondContact O-CG 3.4Å; E359-Q363 PolarHBondContact O-N 2.98Å; E359-Q363 PolarHBondContact OE1-NE2 2.97Å; I360-Q363 PolarHBondContact O-N 2.98Å; Q363-V365 VanDerWaalsContact C-N 3.28Å; Q363-V365 PolarHBondContact O-N 3.31Å; Q363-F366 CarbonylContact O-C 3.49Å; Q363-F366 PolarHBondContact O-N 3.42Å; Q363-N367 PolarHBondContact O-N 2.9Å; Q363-N367 VanDerWaalsContact O-N 3.13Å; Q363-H392 PolarHBondContact NE2-CE1 2.8Å; Q363-H392 PolarHBondContact NE2-NE2 3.03Å; Q363-H392 VanDerWaalsContact NE2-NE2 3.1Å; Q363-F394 HydrophobicContact CG-CE2 4.26Å
364S87.7Confident87.3Confident33 Ų3359 Ų5923%0.23128%0.282CS..Hα-helixtrans-61.2-33.4-176.676.20000113.9I360 T361 V362 F366 M424 Q606I360-S364 WeakPolarHBondContact O-CB 3.2Å; I360-S364 PolarHBondContact O-N 2.84Å; I360-S364 VanDerWaalsContact O-N 3.08Å; T361-S364 WeakPolarHBondContact O-CB 3.48Å; T361-S364 PolarHBondContact O-N 2.81Å; T361-S364 PolarHBondContact O-OG 3.04Å; V362-S364 PolarHBondContact O-N 3.37Å; S364-F366 VanDerWaalsContact C-N 3.35Å; S364-M424 WeakPolarHBondContact OG-CE 3.35Å; S364-Q606 PolarHBondContact OG-NE2 2.81Å
365V91.1Very high87Confident2 Ų263.2 Ų63.21%0.01230%0.302CS..Hα-helixtrans-83-12.1176.2-65.80000113.5I351 V353 V362 Q363 L374 P376 L378 M424I351-V365 HydrophobicContact CD1-CG1 4.31Å; I351-V365 HydrophobicContact CG2-CG1 4.15Å; V353-V365 HydrophobicContact CG2-CG1 3.64Å; V353-V365 HydrophobicContact CG2-CG2 4.28Å; V362-V365 WeakPolarHBondContact O-CG2 3.5Å; V362-V365 PolarHBondContact O-N 3.24Å; Q363-V365 VanDerWaalsContact C-N 3.28Å; Q363-V365 PolarHBondContact O-N 3.31Å; V365-L374 HydrophobicContact CB-CD1 4.34Å; V365-L374 HydrophobicContact CG1-CD1 4.47Å; V365-P376 HydrophobicContact CB-CB 4.13Å; V365-P376 HydrophobicContact CG2-CB 3.69Å; V365-P376 HydrophobicContact CG2-CG 4.26Å; V365-L378 HydrophobicContact CG2-CD2 4.27Å; V365-M424 HydrophobicContact CG1-SD 3.85Å
366F91.6Very high86.9Confident30 Ų3063.7 Ų63.713%0.13231%0.305CS..THydrogen-bonded Turntrans-101.16.3173.9-70.5-75.6000113.5V362 Q363 S364 E368 P376 L389 F394 S395 A396V362-F366 HydrophobicContact CG1-CD2 4.29Å; V362-F366 HydrophobicContact CG1-CE2 4.2Å; V362-F366 WeakPolarHBondContact O-CD2 3.27Å; Q363-F366 CarbonylContact O-C 3.49Å; Q363-F366 PolarHBondContact O-N 3.42Å; S364-F366 VanDerWaalsContact C-N 3.35Å; F366-E368 PolarHBondContact O-N 2.89Å; F366-P376 HydrophobicContact CE1-CG 4.01Å; F366-P376 HydrophobicContact CE2-CG 4.1Å; F366-P376 HydrophobicContact CZ-CG 3.61Å; F366-L389 HydrophobicContact CE2-CD2 3.91Å; F366-L389 HydrophobicContact CZ-CD2 4.13Å; F366-F394 HydrophobicContact CB-CD1 4.24Å; F366-F394 HydrophobicContact CB-CD2 3.94Å; F366-F394 HydrophobicContact CB-CE1 3.93Å; F366-F394 HydrophobicContact CB-CE2 3.61Å; F366-F394 HydrophobicContact CB-CG 4.26Å; F366-F394 HydrophobicContact CB-CZ 3.61Å; F366-F394 HydrophobicContact CD1-CB 4.19Å; F366-F394 AromaticContact CD1-CD1 4Å; F366-F394 HydrophobicContact CD1-CD1 4Å; F366-F394 HydrophobicContact CD1-CD2 4.28Å; F366-F394 HydrophobicContact CD1-CE1 4.47Å; F366-F394 AromaticContact CD1-CG 3.9Å; F366-F394 HydrophobicContact CD1-CG 3.9Å; F366-F394 HydrophobicContact CD2-CB 4.16Å; F366-F394 AromaticContact CD2-CD2 3.41Å; F366-F394 HydrophobicContact CD2-CD2 3.41Å; F366-F394 VanDerWaalsContact CD2-CD2 3.41Å; F366-F394 AromaticContact CD2-CE2 3.87Å; F366-F394 HydrophobicContact CD2-CE2 3.87Å; F366-F394 AromaticContact CD2-CG 3.81Å; F366-F394 HydrophobicContact CD2-CG 3.81Å; F366-F394 HydrophobicContact CE1-CB 3.91Å; F366-F394 HydrophobicContact CE1-CG 4.15Å; F366-F394 HydrophobicContact CE2-CB 3.89Å; F366-F394 AromaticContact CE2-CD2 3.92Å; F366-F394 HydrophobicContact CE2-CD2 3.92Å; F366-F394 HydrophobicContact CE2-CG 4.08Å; F366-F394 HydrophobicContact CG-CB 4.3Å; F366-F394 HydrophobicContact CG-CD1 4.02Å; F366-F394 AromaticContact CG-CD2 3.61Å; F366-F394 HydrophobicContact CG-CD2 3.61Å; F366-F394 HydrophobicContact CG-CE1 4.23Å; F366-F394 AromaticContact CG-CE2 3.84Å; F366-F394 HydrophobicContact CG-CE2 3.84Å; F366-F394 AromaticContact CG-CG 3.72Å; F366-F394 HydrophobicContact CG-CG 3.72Å; F366-F394 HydrophobicContact CG-CZ 4.15Å; F366-F394 HydrophobicContact CZ-CB 3.74Å; F366-F394 HydrophobicContact CZ-CG 4.22Å; F366-S395 WeakPolarHBondContact CE1-O 3.18Å; F366-S395 WeakPolarHBondContact CZ-O 3.28Å; F366-A396 HydrophobicContact CZ-CB 3.99Å
367N86.3Confident87.1Confident82 Ų8263.8 Ų63.844%0.43931%0.306SS..  trans-58.4137.6176-175.4-76000111.1Q363 K369 V370 K371Q363-N367 PolarHBondContact O-N 2.9Å; Q363-N367 VanDerWaalsContact O-N 3.13Å; N367-K369 PolarHBondContact O-N 3.44Å; N367-K369 WeakPolarHBondContact OD1-CB 3.46Å; N367-K369 PolarHBondContact OD1-N 3.46Å; N367-V370 HydrophobicContact CB-CG2 4.07Å; N367-V370 PolarHBondContact O-N 2.77Å; N367-K371 WeakPolarHBondContact O-CB 3.21Å; N367-K371 PolarHBondContact O-N 3.46Å
368E82.9Confident87.4Confident151 Ų15162 Ų6271%0.70630%0.296SS*.THydrogen-bonded Turntrans-56.6-26.7-173.7-56.7-164132.300114.4F366 V370 K371F366-E368 PolarHBondContact O-N 2.89Å; E368-V370 VanDerWaalsContact C-N 3.31Å; E368-V370 PolarHBondContact O-N 2.97Å; E368-K371 IonicContact OE1-NZ 3.37Å
369K83.3Confident88Confident176 Ų17660.5 Ų60.577%0.76529%0.288SS*.THydrogen-bonded Turntrans-74.1-20178.9-62.2-178-179.9-179.10113.8N367N367-K369 PolarHBondContact O-N 3.44Å; N367-K369 WeakPolarHBondContact OD1-CB 3.46Å; N367-K369 PolarHBondContact OD1-N 3.46Å
370V86.1Confident88.5Confident53 Ų5356.4 Ų56.432%0.32127%0.269SS..THydrogen-bonded Turntrans-126.4-22.4-173.1-600000114.3N367 E368 E372 Y373 L374N367-V370 HydrophobicContact CB-CG2 4.07Å; N367-V370 PolarHBondContact O-N 2.77Å; E368-V370 VanDerWaalsContact C-N 3.31Å; E368-V370 PolarHBondContact O-N 2.97Å; V370-E372 PolarHBondContact O-N 3.14Å; V370-Y373 PolarHBondContact O-N 3.49Å; V370-L374 HydrophobicContact CB-CD1 3.8Å; V370-L374 HydrophobicContact CB-CG 4.22Å; V370-L374 HydrophobicContact CG2-CD1 3.67Å; V370-L374 WeakPolarHBondContact O-CG 3.34Å; V370-L374 PolarHBondContact O-N 3.48Å
371K84.1Confident89.1Confident83 Ų8353.9 Ų53.936%0.36126%0.256SS..THydrogen-bonded Turntrans-56-28-173.470.3-177.5-179.1-172.10114.8N367 E368 Y373N367-K371 WeakPolarHBondContact O-CB 3.21Å; N367-K371 PolarHBondContact O-N 3.46Å; E368-K371 IonicContact OE1-NZ 3.37Å; K371-Y373 VanDerWaalsContact C-N 3.33Å
372E78.4Confident89.5Confident135 Ų13558.6 Ų58.663%0.63128%0.278SS*.THydrogen-bonded Turntrans-75.1-24.1177.8-63-173162.200112.6V370V370-E372 PolarHBondContact O-N 3.14Å
373Y81.8Confident89.7Confident129 Ų12964.9 Ų64.951%0.50631%0.311SS..THydrogen-bonded Turntrans-98.4-15-178.8-50.6-65.9000113.3I349 V370 K371I349-Y373 WeakPolarHBondContact CB-O 3.25Å; I349-Y373 PolarHBondContact N-O 2.72Å; V370-Y373 PolarHBondContact O-N 3.49Å; K371-Y373 VanDerWaalsContact C-N 3.33Å
374L87.7Confident89.8Confident27 Ų2766.4 Ų66.414%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-107.7142.7-173-61.4-178.5000112.3K348 I349 I351 V365 V370K348-L374 WeakPolarHBondContact CD-O 3.46Å; I349-L374 HydrophobicContact CB-CD2 4.29Å; I349-L374 WeakPolarHBondContact O-CA 3.45Å; I351-L374 HydrophobicContact CB-CD2 4.45Å; I351-L374 HydrophobicContact CG2-CB 4.2Å; I351-L374 HydrophobicContact CG2-CD1 4.26Å; I351-L374 HydrophobicContact CG2-CD2 4.19Å; I351-L374 HydrophobicContact CG2-CG 4.45Å; V365-L374 HydrophobicContact CB-CD1 4.34Å; V365-L374 HydrophobicContact CG1-CD1 4.47Å; V370-L374 HydrophobicContact CB-CD1 3.8Å; V370-L374 HydrophobicContact CB-CG 4.22Å; V370-L374 HydrophobicContact CG2-CD1 3.67Å; V370-L374 WeakPolarHBondContact O-CG 3.34Å; V370-L374 PolarHBondContact O-N 3.48Å
375E89.3Confident90.1Very high90 Ų9064.8 Ų64.842%0.42131%0.305SS..EExtended strand (participates in β ladder)trans-117.297.5163.8-177.5170.6-16000107.8K348 I349 R350 I351K348-E375 HydrophobicContact CB-CB 3.8Å; K348-E375 HydrophobicContact CD-CB 4.36Å; I349-E375 PolarHBondContact O-N 3.5Å; R350-E375 VanDerWaalsContact CA-O 3.31Å; R350-E375 WeakPolarHBondContact CA-O 3.42Å; R350-E375 HydrophobicContact CG-CB 4.17Å; R350-E375 HydrophobicContact CG-CG 4.37Å; I351-E375 PolarHBondContact N-O 2.78Å
376P93.2Very high90.3Very high12 Ų1269 Ų698%0.07833%0.325CS..EExtended strand (participates in β ladder)trans-76.4132.7-174.727.9-31.6000112.2I351 V365 F366 L378 A396 Q397I351-P376 HydrophobicContact CG2-CB 4.24Å; V365-P376 HydrophobicContact CB-CB 4.13Å; V365-P376 HydrophobicContact CG2-CB 3.69Å; V365-P376 HydrophobicContact CG2-CG 4.26Å; F366-P376 HydrophobicContact CE1-CG 4.01Å; F366-P376 HydrophobicContact CE2-CG 4.1Å; F366-P376 HydrophobicContact CZ-CG 3.61Å; P376-L378 HydrophobicContact CB-CD2 4.17Å; P376-A396 HydrophobicContact CB-CB 4.43Å; P376-A396 HydrophobicContact CG-CB 3.97Å; P376-Q397 PolarHBondContact O-N 3.25Å
377V95.9Very high90.3Very high3 Ų370.9 Ų70.92%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-111.7108.5167.3-1770000107.5I351 G352 V353 Q397 V399 M414 L420I351-V377 PolarHBondContact O-N 3.3Å; G352-V377 CarbonylContact C-O 3.58Å; G352-V377 WeakPolarHBondContact CA-O 2.89Å; V353-V377 PolarHBondContact N-O 3.45Å; V377-Q397 CarbonylContact C-O 3.53Å; V377-Q397 WeakPolarHBondContact CA-O 3.26Å; V377-Q397 HydrophobicContact CG1-CB 4.39Å; V377-Q397 HydrophobicContact CG1-CG 4.27Å; V377-Q397 HydrophobicContact CG2-CB 4.33Å; V377-V399 HydrophobicContact CG1-CG2 3.69Å; V377-M414 HydrophobicContact CG1-CE 3.87Å; V377-M414 HydrophobicContact CG1-SD 4.44Å; V377-L420 HydrophobicContact CB-CD2 3.78Å; V377-L420 HydrophobicContact CG1-CD2 4.3Å; V377-L420 HydrophobicContact CG2-CD2 3.65Å
378L97Very high90.5Very high0 Ų067.7 Ų67.70%032%0.321CS..EExtended strand (participates in β ladder)trans-94.6114.7-173.7-55.5-176.9000109.8V353 A356 V362 V365 P376 I385 L389 A396 Q397 V398 V399V353-L378 HydrophobicContact CB-CD2 3.79Å; V353-L378 HydrophobicContact CG1-CD2 4.48Å; V353-L378 HydrophobicContact CG2-CD2 3.74Å; A356-L378 HydrophobicContact CB-CB 3.97Å; A356-L378 HydrophobicContact CB-CD2 4.1Å; V362-L378 HydrophobicContact CG1-CD1 4.04Å; V362-L378 HydrophobicContact CG2-CD1 4.26Å; V365-L378 HydrophobicContact CG2-CD2 4.27Å; P376-L378 HydrophobicContact CB-CD2 4.17Å; L378-I385 HydrophobicContact CB-CD1 4.2Å; L378-I385 HydrophobicContact CB-CG2 3.91Å; L378-I385 HydrophobicContact CD1-CG2 3.59Å; L378-I385 HydrophobicContact CG-CG2 4.41Å; L378-L389 HydrophobicContact CD1-CD1 4.28Å; L378-L389 HydrophobicContact CD1-CD2 3.89Å; L378-L389 HydrophobicContact CD1-CG 4.28Å; L378-A396 HydrophobicContact CD1-CB 3.78Å; L378-A396 HydrophobicContact CG-CB 3.87Å; L378-Q397 PolarHBondContact N-O 3.16Å; L378-V398 WeakPolarHBondContact O-CA 3.49Å; L378-V399 PolarHBondContact O-N 3.06Å
379I97.5Very high91Very high0 Ų060.7 Ų60.70%029%0.289CS..EExtended strand (participates in β ladder)trans-105.1120.6-177.5-55.8159.7000108.5V353 V354 C355 A356 V399 A401 C407 I410 G411 M414V353-I379 PolarHBondContact O-N 3.25Å; V354-I379 HydrophobicContact CG2-CD1 4.39Å; C355-I379 CarbonylContact C-O 3.55Å; C355-I379 WeakPolarHBondContact CA-O 3.42Å; C355-I379 PolarHBondContact N-O 3.28Å; A356-I379 PolarHBondContact N-O 2.76Å; I379-V399 WeakPolarHBondContact CA-O 3.27Å; I379-V399 HydrophobicContact CG1-CB 4.08Å; I379-A401 HydrophobicContact CG2-CB 4.03Å; I379-C407 HydrophobicContact CG2-CB 4.26Å; I379-I410 HydrophobicContact CD1-CG2 4.27Å; I379-I410 HydrophobicContact CG1-CG2 4.38Å; I379-I410 HydrophobicContact CG2-CB 4.17Å; I379-I410 HydrophobicContact CG2-CG2 3.94Å; I379-G411 VanDerWaalsContact CD1-CA 3.47Å; I379-M414 HydrophobicContact CD1-SD 4.27Å
380G96.2Very high91.3Very high0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans160.1-156.2-179.800000114.7N357 E382 V399 P400 A401N357-G380 WeakPolarHBondContact OD1-CA 3.41Å; G380-E382 PolarHBondContact O-N 3.43Å; G380-E382 VanDerWaalsContact O-N 3.1Å; G380-V399 PolarHBondContact N-O 3.32Å; G380-V399 VanDerWaalsContact N-O 3.11Å; G380-P400 CarbonylContact O-C 3.57Å; G380-P400 WeakPolarHBondContact O-CA 3.39Å; G380-A401 CarbonylContact C-O 3.57Å; G380-A401 PolarHBondContact O-N 3.42Å
381D95.1Very high91.4Very high51 Ų5159.5 Ų59.527%0.27330%0.296SS..  trans-65.4107.1179.7-179.5-37.8000109.5N357 I383 K384 I385 A401N357-D381 PolarHBondContact OD1-N 3.41Å; D381-I383 VanDerWaalsContact C-N 3.27Å; D381-I383 PolarHBondContact O-N 3.03Å; D381-I383 PolarHBondContact OD1-N 2.61Å; D381-I383 VanDerWaalsContact OD1-N 3.11Å; D381-K384 HydrophobicContact CB-CB 4.13Å; D381-K384 HydrophobicContact CB-CD 4Å; D381-K384 HydrophobicContact CB-CG 4.18Å; D381-K384 PolarHBondContact O-N 3.08Å; D381-K384 PolarHBondContact OD1-N 3.12Å; D381-K384 VanDerWaalsContact OD1-N 3.1Å; D381-K384 WeakPolarHBondContact OD2-CD 3.42Å; D381-K384 VanDerWaalsContact OD2-CE 3.28Å; D381-K384 WeakPolarHBondContact OD2-CE 3.37Å; D381-K384 IonicContact OD2-NZ 2.79Å; D381-I385 WeakPolarHBondContact O-CG1 3.33Å; D381-I385 PolarHBondContact O-N 3.49Å; D381-A401 PolarHBondContact N-O 2.9Å
382E95.2Very high91.5Very high99 Ų9958.5 Ų58.546%0.46329%0.292SS..Hα-helixtrans-56-41.4-174.1-177.5174.9-160.700112.2G380 I385 Q386 V398 P400G380-E382 PolarHBondContact O-N 3.43Å; G380-E382 VanDerWaalsContact O-N 3.1Å; E382-I385 PolarHBondContact O-N 3.04Å; E382-Q386 HydrophobicContact CG-CG 4.18Å; E382-Q386 VanDerWaalsContact O-CB 3.26Å; E382-Q386 WeakPolarHBondContact O-CB 3.44Å; E382-Q386 WeakPolarHBondContact O-CG 3.3Å; E382-Q386 PolarHBondContact O-N 2.87Å; E382-V398 HydrophobicContact CB-CG1 4.48Å; E382-V398 HydrophobicContact CG-CG1 4.26Å; E382-P400 HydrophobicContact CB-CB 4.27Å; E382-P400 HydrophobicContact CB-CG 4.22Å; E382-P400 HydrophobicContact CG-CG 4.36Å
383I93.2Very high91.9Very high132 Ų13259.5 Ų59.568%0.67730%0.302SS*.Hα-helixtrans-66.3-45-177.8-61.8175000109.9D381 T387D381-I383 VanDerWaalsContact C-N 3.27Å; D381-I383 PolarHBondContact O-N 3.03Å; D381-I383 PolarHBondContact OD1-N 2.61Å; D381-I383 VanDerWaalsContact OD1-N 3.11Å; I383-T387 WeakPolarHBondContact O-CB 3.49Å; I383-T387 PolarHBondContact O-N 2.84Å; I383-T387 PolarHBondContact O-OG1 2.7Å
384K92.2Very high92.3Very high106 Ų10656.4 Ų56.446%0.46129%0.291SS..Hα-helixtrans-64.8-47.9178.5-69.7-179.7-172.5169.60111.6D381 Q386 T387 I388D381-K384 HydrophobicContact CB-CB 4.13Å; D381-K384 HydrophobicContact CB-CD 4Å; D381-K384 HydrophobicContact CB-CG 4.18Å; D381-K384 PolarHBondContact O-N 3.08Å; D381-K384 PolarHBondContact OD1-N 3.12Å; D381-K384 VanDerWaalsContact OD1-N 3.1Å; D381-K384 WeakPolarHBondContact OD2-CD 3.42Å; D381-K384 VanDerWaalsContact OD2-CE 3.28Å; D381-K384 WeakPolarHBondContact OD2-CE 3.37Å; D381-K384 IonicContact OD2-NZ 2.79Å; K384-Q386 PolarHBondContact O-N 3.39Å; K384-T387 WeakPolarHBondContact O-CB 3.31Å; K384-T387 PolarHBondContact O-N 3.35Å; K384-I388 WeakPolarHBondContact O-CG1 3.36Å; K384-I388 PolarHBondContact O-N 2.91Å
385I94.5Very high92.2Very high0 Ų060.3 Ų60.30%032%0.32CS..Hα-helixtrans-60.5-49.6-179.2-67.9166.2000110.2A356 L378 D381 E382 T387 I388 L389 V398A356-I385 HydrophobicContact CB-CD1 4.17Å; A356-I385 HydrophobicContact CB-CG1 4.36Å; A356-I385 VanDerWaalsContact O-CG1 3.29Å; A356-I385 WeakPolarHBondContact O-CG1 3.29Å; L378-I385 HydrophobicContact CB-CD1 4.2Å; L378-I385 HydrophobicContact CB-CG2 3.91Å; L378-I385 HydrophobicContact CD1-CG2 3.59Å; L378-I385 HydrophobicContact CG-CG2 4.41Å; D381-I385 WeakPolarHBondContact O-CG1 3.33Å; D381-I385 PolarHBondContact O-N 3.49Å; E382-I385 PolarHBondContact O-N 3.04Å; I385-T387 VanDerWaalsContact C-N 3.28Å; I385-T387 PolarHBondContact O-N 2.76Å; I385-I388 PolarHBondContact O-N 3.06Å; I385-L389 HydrophobicContact CG2-CD1 3.92Å; I385-L389 HydrophobicContact CG2-CG 4.21Å; I385-L389 WeakPolarHBondContact O-CG 3.33Å; I385-L389 PolarHBondContact O-N 3.05Å; I385-V398 HydrophobicContact CB-CG1 4.24Å; I385-V398 HydrophobicContact CD1-CG1 4.14Å; I385-V398 HydrophobicContact CG2-CB 4.46Å; I385-V398 HydrophobicContact CG2-CG1 4.01Å; I385-V398 HydrophobicContact CG2-CG2 3.61Å
386Q94.4Very high92.2Very high91 Ų9157.1 Ų57.143%0.42531%0.309SS..Hα-helixtrans-62.2-36.5179.4-68.8-71.6200112.1E382 K384 L389 A390E382-Q386 HydrophobicContact CG-CG 4.18Å; E382-Q386 VanDerWaalsContact O-CB 3.26Å; E382-Q386 WeakPolarHBondContact O-CB 3.44Å; E382-Q386 WeakPolarHBondContact O-CG 3.3Å; E382-Q386 PolarHBondContact O-N 2.87Å; K384-Q386 PolarHBondContact O-N 3.39Å; Q386-L389 PolarHBondContact O-N 2.73Å; Q386-A390 VanDerWaalsContact O-CB 3.32Å; Q386-A390 WeakPolarHBondContact O-CB 3.46Å; Q386-A390 PolarHBondContact O-N 3.36Å
387T92.2Very high92.1Very high69 Ų6961.7 Ų61.742%0.42333%0.33SS..Hα-helixtrans-62.1-46174.9-58.80000111.2I383 K384 I385 A390 Q391I383-T387 WeakPolarHBondContact O-CB 3.49Å; I383-T387 PolarHBondContact O-N 2.84Å; I383-T387 PolarHBondContact O-OG1 2.7Å; K384-T387 WeakPolarHBondContact O-CB 3.31Å; K384-T387 PolarHBondContact O-N 3.35Å; I385-T387 VanDerWaalsContact C-N 3.28Å; I385-T387 PolarHBondContact O-N 2.76Å; T387-A390 PolarHBondContact O-N 3.12Å; T387-Q391 WeakPolarHBondContact O-CB 3.45Å; T387-Q391 VanDerWaalsContact O-CG 3.23Å; T387-Q391 WeakPolarHBondContact O-CG 3.23Å; T387-Q391 PolarHBondContact O-N 2.71Å
388I90.6Very high92Very high14 Ų1462.8 Ų62.87%0.07234%0.336CS..Hα-helixtrans-64.6-45.6177.5-63.7160.5000110.5E359 V362 K384 I385 A390 Q391 H392E359-I388 HydrophobicContact CB-CD1 4.47Å; E359-I388 HydrophobicContact CB-CG1 4.49Å; E359-I388 HydrophobicContact CB-CG2 4.44Å; E359-I388 HydrophobicContact CG-CG2 4.26Å; V362-I388 HydrophobicContact CB-CG2 3.89Å; V362-I388 HydrophobicContact CG1-CG2 3.75Å; V362-I388 HydrophobicContact CG2-CD1 4.31Å; V362-I388 HydrophobicContact CG2-CG2 4.31Å; K384-I388 WeakPolarHBondContact O-CG1 3.36Å; K384-I388 PolarHBondContact O-N 2.91Å; I385-I388 PolarHBondContact O-N 3.06Å; I388-A390 VanDerWaalsContact C-N 3.33Å; I388-A390 PolarHBondContact O-N 3.4Å; I388-Q391 PolarHBondContact O-N 3.29Å; I388-H392 PolarHBondContact O-CD2 2.96Å; I388-H392 PolarHBondContact O-N 3.28Å
389L92.4Very high91.9Very high5 Ų564 Ų643%0.02634%0.344CS..Hα-helixtrans-58.5-44.9177.8-70.9176.7000111.6V362 F366 L378 I385 Q386 H392 N393 F394 A396 V398V362-L389 HydrophobicContact CG1-CD2 4.24Å; F366-L389 HydrophobicContact CE2-CD2 3.91Å; F366-L389 HydrophobicContact CZ-CD2 4.13Å; L378-L389 HydrophobicContact CD1-CD1 4.28Å; L378-L389 HydrophobicContact CD1-CD2 3.89Å; L378-L389 HydrophobicContact CD1-CG 4.28Å; I385-L389 HydrophobicContact CG2-CD1 3.92Å; I385-L389 HydrophobicContact CG2-CG 4.21Å; I385-L389 WeakPolarHBondContact O-CG 3.33Å; I385-L389 PolarHBondContact O-N 3.05Å; Q386-L389 PolarHBondContact O-N 2.73Å; L389-H392 PolarHBondContact O-N 3.37Å; L389-N393 WeakPolarHBondContact O-CA 3.17Å; L389-N393 PolarHBondContact O-N 2.78Å; L389-F394 HydrophobicContact CD2-CB 3.62Å; L389-F394 PolarHBondContact O-N 2.76Å; L389-A396 HydrophobicContact CD1-CB 4.34Å; L389-A396 HydrophobicContact CD2-CB 4.23Å; L389-V398 HydrophobicContact CD1-CG2 3.76Å
390A91.1Very high91.9Very high79 Ų7967.2 Ų67.265%0.65337%0.365SS*.Hα-helixtrans-66.4-39.9178.200000112.7Q386 T387 I388 H392 N393Q386-A390 VanDerWaalsContact O-CB 3.32Å; Q386-A390 WeakPolarHBondContact O-CB 3.46Å; Q386-A390 PolarHBondContact O-N 3.36Å; T387-A390 PolarHBondContact O-N 3.12Å; I388-A390 VanDerWaalsContact C-N 3.33Å; I388-A390 PolarHBondContact O-N 3.4Å; A390-H392 VanDerWaalsContact C-N 3.27Å; A390-H392 PolarHBondContact O-N 3.26Å; A390-N393 PolarHBondContact O-N 2.74Å
391Q87.8Confident91.8Very high125 Ų12567.5 Ų67.558%0.58437%0.367SS*.Hα-helixtrans-60.6-35.6177.4-78.5171.3-1400112.8T387 I388T387-Q391 WeakPolarHBondContact O-CB 3.45Å; T387-Q391 VanDerWaalsContact O-CG 3.23Å; T387-Q391 WeakPolarHBondContact O-CG 3.23Å; T387-Q391 PolarHBondContact O-N 2.71Å; I388-Q391 PolarHBondContact O-N 3.29Å
392H86.7Confident91.6Very high62 Ų6273.8 Ų73.829%0.28740%0.395SS..Hα-helixtrans-102.21.3-177.6-69.7-74.8000114.5E359 Q363 I388 L389 A390 F394E359-H392 IonicContact OE1-CD2 2.74Å; E359-H392 IonicContact OE1-CE1 3.21Å; E359-H392 PolarHBondContact OE1-CE1 2.92Å; E359-H392 VanDerWaalsContact OE1-CE1 3.31Å; E359-H392 IonicContact OE1-NE2 2.81Å; E359-H392 PolarHBondContact OE1-NE2 2.83Å; Q363-H392 PolarHBondContact NE2-CE1 2.8Å; Q363-H392 PolarHBondContact NE2-NE2 3.03Å; Q363-H392 VanDerWaalsContact NE2-NE2 3.1Å; I388-H392 PolarHBondContact O-CD2 2.96Å; I388-H392 PolarHBondContact O-N 3.28Å; L389-H392 PolarHBondContact O-N 3.37Å; A390-H392 VanDerWaalsContact C-N 3.27Å; A390-H392 PolarHBondContact O-N 3.26Å; H392-F394 VanDerWaalsContact C-N 3.27Å; H392-F394 HydrophobicContact CB-CD1 4.17Å; H392-F394 HydrophobicContact CB-CD2 3.45Å; H392-F394 VanDerWaalsContact CB-CD2 3.45Å; H392-F394 HydrophobicContact CB-CE1 4.09Å; H392-F394 HydrophobicContact CB-CE2 3.36Å; H392-F394 HydrophobicContact CB-CG 3.87Å; H392-F394 HydrophobicContact CB-CZ 3.7Å; H392-F394 AromaticContact CG-CE2 3.88Å; H392-F394 WeakPolarHBondContact O-CD1 3.49Å; H392-F394 PolarHBondContact O-N 2.93Å
393N86.6Confident91.5Very high155 Ų15572.2 Ų72.283%0.82939%0.392SS*.THydrogen-bonded Turntrans54.143-173.7-164.844.1000112.7L389 A390L389-N393 WeakPolarHBondContact O-CA 3.17Å; L389-N393 PolarHBondContact O-N 2.78Å; A390-N393 PolarHBondContact O-N 2.74Å
394F89.6Confident91.5Very high65 Ų6568.6 Ų68.629%0.28537%0.372SS..  trans-98.4157.9175.9-64.7-25000111.5Q363 F366 L389 H392Q363-F394 HydrophobicContact CG-CE2 4.26Å; F366-F394 HydrophobicContact CB-CD1 4.24Å; F366-F394 HydrophobicContact CB-CD2 3.94Å; F366-F394 HydrophobicContact CB-CE1 3.93Å; F366-F394 HydrophobicContact CB-CE2 3.61Å; F366-F394 HydrophobicContact CB-CG 4.26Å; F366-F394 HydrophobicContact CB-CZ 3.61Å; F366-F394 HydrophobicContact CD1-CB 4.19Å; F366-F394 AromaticContact CD1-CD1 4Å; F366-F394 HydrophobicContact CD1-CD1 4Å; F366-F394 HydrophobicContact CD1-CD2 4.28Å; F366-F394 HydrophobicContact CD1-CE1 4.47Å; F366-F394 AromaticContact CD1-CG 3.9Å; F366-F394 HydrophobicContact CD1-CG 3.9Å; F366-F394 HydrophobicContact CD2-CB 4.16Å; F366-F394 AromaticContact CD2-CD2 3.41Å; F366-F394 HydrophobicContact CD2-CD2 3.41Å; F366-F394 VanDerWaalsContact CD2-CD2 3.41Å; F366-F394 AromaticContact CD2-CE2 3.87Å; F366-F394 HydrophobicContact CD2-CE2 3.87Å; F366-F394 AromaticContact CD2-CG 3.81Å; F366-F394 HydrophobicContact CD2-CG 3.81Å; F366-F394 HydrophobicContact CE1-CB 3.91Å; F366-F394 HydrophobicContact CE1-CG 4.15Å; F366-F394 HydrophobicContact CE2-CB 3.89Å; F366-F394 AromaticContact CE2-CD2 3.92Å; F366-F394 HydrophobicContact CE2-CD2 3.92Å; F366-F394 HydrophobicContact CE2-CG 4.08Å; F366-F394 HydrophobicContact CG-CB 4.3Å; F366-F394 HydrophobicContact CG-CD1 4.02Å; F366-F394 AromaticContact CG-CD2 3.61Å; F366-F394 HydrophobicContact CG-CD2 3.61Å; F366-F394 HydrophobicContact CG-CE1 4.23Å; F366-F394 AromaticContact CG-CE2 3.84Å; F366-F394 HydrophobicContact CG-CE2 3.84Å; F366-F394 AromaticContact CG-CG 3.72Å; F366-F394 HydrophobicContact CG-CG 3.72Å; F366-F394 HydrophobicContact CG-CZ 4.15Å; F366-F394 HydrophobicContact CZ-CB 3.74Å; F366-F394 HydrophobicContact CZ-CG 4.22Å; L389-F394 HydrophobicContact CD2-CB 3.62Å; L389-F394 PolarHBondContact O-N 2.76Å; H392-F394 VanDerWaalsContact C-N 3.27Å; H392-F394 HydrophobicContact CB-CD1 4.17Å; H392-F394 HydrophobicContact CB-CD2 3.45Å; H392-F394 VanDerWaalsContact CB-CD2 3.45Å; H392-F394 HydrophobicContact CB-CE1 4.09Å; H392-F394 HydrophobicContact CB-CE2 3.36Å; H392-F394 HydrophobicContact CB-CG 3.87Å; H392-F394 HydrophobicContact CB-CZ 3.7Å; H392-F394 AromaticContact CG-CE2 3.88Å; H392-F394 WeakPolarHBondContact O-CD1 3.49Å; H392-F394 PolarHBondContact O-N 2.93Å
395S84.7Confident91.6Very high108 Ų10869.4 Ų69.476%0.75538%0.378SS*.  trans-132.2129.7174.4-1760000109.8F366F366-S395 WeakPolarHBondContact CE1-O 3.18Å; F366-S395 WeakPolarHBondContact CZ-O 3.28Å
396A89.3Confident91.6Very high23 Ų2373.2 Ų73.219%0.1940%0.395CS..  trans-149.7158.2177.800000110.1F366 P376 L378 L389 V398F366-A396 HydrophobicContact CZ-CB 3.99Å; P376-A396 HydrophobicContact CB-CB 4.43Å; P376-A396 HydrophobicContact CG-CB 3.97Å; L378-A396 HydrophobicContact CD1-CB 3.78Å; L378-A396 HydrophobicContact CG-CB 3.87Å; L389-A396 HydrophobicContact CD1-CB 4.34Å; L389-A396 HydrophobicContact CD2-CB 4.23Å; A396-V398 PolarHBondContact O-N 3.03Å
397Q90.9Very high91.7Very high108 Ų10868.9 Ų68.951%0.50538%0.375SS..EExtended strand (participates in β ladder)trans-68.1127.7164.3-176.8-177.36.800108.9P376 V377 L378 V399P376-Q397 PolarHBondContact O-N 3.25Å; V377-Q397 CarbonylContact C-O 3.53Å; V377-Q397 WeakPolarHBondContact CA-O 3.26Å; V377-Q397 HydrophobicContact CG1-CB 4.39Å; V377-Q397 HydrophobicContact CG1-CG 4.27Å; V377-Q397 HydrophobicContact CG2-CB 4.33Å; L378-Q397 PolarHBondContact N-O 3.16Å; Q397-V399 HydrophobicContact CG-CG2 4.41Å
398V94.8Very high91.9Very high26 Ų2665.6 Ų65.616%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-107129.4174.4-176.60000108.9L378 E382 I385 L389 A396L378-V398 WeakPolarHBondContact O-CA 3.49Å; E382-V398 HydrophobicContact CB-CG1 4.48Å; E382-V398 HydrophobicContact CG-CG1 4.26Å; I385-V398 HydrophobicContact CB-CG1 4.24Å; I385-V398 HydrophobicContact CD1-CG1 4.14Å; I385-V398 HydrophobicContact CG2-CB 4.46Å; I385-V398 HydrophobicContact CG2-CG1 4.01Å; I385-V398 HydrophobicContact CG2-CG2 3.61Å; L389-V398 HydrophobicContact CD1-CG2 3.76Å; A396-V398 PolarHBondContact O-N 3.03Å
399V95.9Very high92.2Very high27 Ų2767.6 Ų67.616%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-115.3106.8175.3-176.30000108V377 L378 I379 G380 Q397 A401 I410 M414V377-V399 HydrophobicContact CG1-CG2 3.69Å; L378-V399 PolarHBondContact O-N 3.06Å; I379-V399 WeakPolarHBondContact CA-O 3.27Å; I379-V399 HydrophobicContact CG1-CB 4.08Å; G380-V399 PolarHBondContact N-O 3.32Å; G380-V399 VanDerWaalsContact N-O 3.11Å; Q397-V399 HydrophobicContact CG-CG2 4.41Å; V399-A401 PolarHBondContact O-N 3.17Å; V399-I410 HydrophobicContact CG1-CG2 3.72Å; V399-M414 HydrophobicContact CG2-CE 4.25Å; V399-M414 HydrophobicContact CG2-SD 4.18Å
400P95.8Very high92.4Very high67 Ų6769.1 Ų69.144%0.43538%0.381SS..EExtended strand (participates in β ladder)trans-61.1135-176.2-24.534.2000112.7G380 E382G380-P400 CarbonylContact O-C 3.57Å; G380-P400 WeakPolarHBondContact O-CA 3.39Å; E382-P400 HydrophobicContact CB-CB 4.27Å; E382-P400 HydrophobicContact CB-CG 4.22Å; E382-P400 HydrophobicContact CG-CG 4.36Å
401A95.7Very high92.6Very high5 Ų565.3 Ų65.34%0.04135%0.35CS..  trans-155.2134.3173.300000110.2I379 G380 D381 V399 E406 C407 I410I379-A401 HydrophobicContact CG2-CB 4.03Å; G380-A401 CarbonylContact C-O 3.57Å; G380-A401 PolarHBondContact O-N 3.42Å; D381-A401 PolarHBondContact N-O 2.9Å; V399-A401 PolarHBondContact O-N 3.17Å; A401-E406 HydrophobicContact CB-CB 4.46Å; A401-E406 HydrophobicContact CB-CG 4.01Å; A401-C407 HydrophobicContact CB-CB 4.42Å; A401-C407 VanDerWaalsContact CB-SG 3.51Å; A401-I410 HydrophobicContact CB-CD1 3.95Å
402E89.9Confident93Very high183 Ų18359.5 Ų59.586%0.85532%0.323SS*.SBendtrans-94.6-26.3-172.2-64.7-174.6176.800113.4E406E402-E406 PolarHBondContact N-OE2 3.07Å
403T92.8Very high93.5Very high67 Ų6763.1 Ų63.141%0.41134%0.338SS..SBendtrans-123.9156.3-173.463.60000112.5E405 E406 C407T403-E405 VanDerWaalsContact C-N 3.27Å; T403-E405 PolarHBondContact O-N 3.12Å; T403-E406 PolarHBondContact O-N 3.3Å; T403-E406 WeakPolarHBondContact OG1-CB 3.4Å; T403-E406 PolarHBondContact OG1-N 3.04Å; T403-C407 PolarHBondContact O-N 2.88Å; T403-C407 PolarHBondContact O-SG 2.82Å
404E92.8Very high93.8Very high55 Ų5556.5 Ų56.526%0.25730%0.303SS..Hα-helixtrans-58.5-40.3176-68.5-170.7-171.800111.8A408 L428 Q429 T432E404-A408 WeakPolarHBondContact O-CB 3.4Å; E404-A408 PolarHBondContact O-N 2.77Å; E404-L428 HydrophobicContact CB-CB 4Å; E404-L428 HydrophobicContact CG-CB 3.73Å; E404-Q429 PolarHBondContact OE2-N 3.01Å; E404-T432 HydrophobicContact CB-CG2 4.01Å
405E94.4Very high94Very high123 Ų12353.4 Ų53.458%0.57529%0.289SS*.Hα-helixtrans-63.6-42.1177.4-70.277.5-175.800112.2T403 A408 A409 T432T403-E405 VanDerWaalsContact C-N 3.27Å; T403-E405 PolarHBondContact O-N 3.12Å; E405-A408 PolarHBondContact O-N 3.15Å; E405-A409 WeakPolarHBondContact O-CB 3.29Å; E405-A409 PolarHBondContact O-N 3.41Å; E405-T432 HydrophobicContact CB-CG2 4.46Å; E405-T432 HydrophobicContact CG-CG2 3.89Å
406E96Very high94.2Very high80 Ų8052.7 Ų52.737%0.37427%0.272SS..Hα-helixtrans-67.9-46177.8-176.7174-142.800111.2A401 E402 T403 A408 A409 I410A401-E406 HydrophobicContact CB-CB 4.46Å; A401-E406 HydrophobicContact CB-CG 4.01Å; E402-E406 PolarHBondContact N-OE2 3.07Å; T403-E406 PolarHBondContact O-N 3.3Å; T403-E406 WeakPolarHBondContact OG1-CB 3.4Å; T403-E406 PolarHBondContact OG1-N 3.04Å; E406-A408 VanDerWaalsContact C-N 3.29Å; E406-A408 PolarHBondContact O-N 2.77Å; E406-A409 PolarHBondContact O-N 3.24Å; E406-I410 HydrophobicContact CG-CD1 3.75Å; E406-I410 HydrophobicContact CG-CG1 4.38Å; E406-I410 WeakPolarHBondContact O-CB 3.33Å; E406-I410 WeakPolarHBondContact O-CG1 3.49Å; E406-I410 PolarHBondContact O-N 3.36Å
407C96.4Very high94Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-52.2-50.6173.6-67.70000110.7V354 C355 I379 A401 T403 I410 G411V354-C407 HydrophobicContact CG1-CB 4.01Å; C355-C407 HydrophobicContact CB-CB 4.02Å; I379-C407 HydrophobicContact CG2-CB 4.26Å; A401-C407 HydrophobicContact CB-CB 4.42Å; A401-C407 VanDerWaalsContact CB-SG 3.51Å; T403-C407 PolarHBondContact O-N 2.88Å; T403-C407 PolarHBondContact O-SG 2.82Å; C407-I410 PolarHBondContact O-N 2.9Å; C407-G411 PolarHBondContact O-N 2.92Å
408A96.1Very high93.6Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-62.5-43.3179.900000112.5E404 E405 E406 V412 L428 F433 A436E404-A408 WeakPolarHBondContact O-CB 3.4Å; E404-A408 PolarHBondContact O-N 2.77Å; E405-A408 PolarHBondContact O-N 3.15Å; E406-A408 VanDerWaalsContact C-N 3.29Å; E406-A408 PolarHBondContact O-N 2.77Å; A408-V412 WeakPolarHBondContact O-CB 3.39Å; A408-V412 VanDerWaalsContact O-CG2 3.23Å; A408-V412 WeakPolarHBondContact O-CG2 3.41Å; A408-V412 PolarHBondContact O-N 3.11Å; A408-V412 VanDerWaalsContact O-N 3.11Å; A408-L428 HydrophobicContact CB-CD1 4.17Å; A408-F433 HydrophobicContact CB-CD2 4.1Å; A408-A436 HydrophobicContact CB-CB 3.85Å
409A96.4Very high93Very high56 Ų5658 Ų5846%0.46330%0.298SS..Hα-helixtrans-65.9-41.6179.200000112.6E405 E406 K413E405-A409 WeakPolarHBondContact O-CB 3.29Å; E405-A409 PolarHBondContact O-N 3.41Å; E406-A409 PolarHBondContact O-N 3.24Å; A409-K413 VanDerWaalsContact O-CB 3.27Å; A409-K413 WeakPolarHBondContact O-CB 3.41Å; A409-K413 PolarHBondContact O-N 3.32Å
410I96.7Very high92.7Very high37 Ų3756.9 Ų56.919%0.1929%0.29CS..Hα-helixtrans-64.5-52.2177.5-71.4171.1000110.2I379 V399 A401 E406 C407 V412 K413 M414I379-I410 HydrophobicContact CD1-CG2 4.27Å; I379-I410 HydrophobicContact CG1-CG2 4.38Å; I379-I410 HydrophobicContact CG2-CB 4.17Å; I379-I410 HydrophobicContact CG2-CG2 3.94Å; V399-I410 HydrophobicContact CG1-CG2 3.72Å; A401-I410 HydrophobicContact CB-CD1 3.95Å; E406-I410 HydrophobicContact CG-CD1 3.75Å; E406-I410 HydrophobicContact CG-CG1 4.38Å; E406-I410 WeakPolarHBondContact O-CB 3.33Å; E406-I410 WeakPolarHBondContact O-CG1 3.49Å; E406-I410 PolarHBondContact O-N 3.36Å; C407-I410 PolarHBondContact O-N 2.9Å; I410-V412 VanDerWaalsContact C-N 3.33Å; I410-V412 PolarHBondContact O-N 3.14Å; I410-K413 WeakPolarHBondContact O-CB 3.32Å; I410-K413 PolarHBondContact O-N 3Å; I410-K413 VanDerWaalsContact O-N 3.08Å; I410-M414 HydrophobicContact CG2-CG 4.27Å; I410-M414 HydrophobicContact CG2-SD 3.86Å; I410-M414 WeakPolarHBondContact O-CG 3.35Å; I410-M414 PolarHBondContact O-N 2.97Å
411G96.2Very high92.2Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-58.1-44.5-179.300000112.7I379 C407 K413 M414 A415I379-G411 VanDerWaalsContact CD1-CA 3.47Å; C407-G411 PolarHBondContact O-N 2.92Å; G411-K413 PolarHBondContact O-N 2.92Å; G411-M414 PolarHBondContact O-N 2.93Å; G411-A415 WeakPolarHBondContact O-CB 3.41Å; G411-A415 PolarHBondContact O-N 3.36Å
412V96.4Very high92Very high3 Ų358.8 Ų58.82%0.01829%0.293CS..Hα-helixtrans-63.5-40.8176.1169.60000111.8A408 I410 A415 K416 A436 V437 K442 I444A408-V412 WeakPolarHBondContact O-CB 3.39Å; A408-V412 VanDerWaalsContact O-CG2 3.23Å; A408-V412 WeakPolarHBondContact O-CG2 3.41Å; A408-V412 PolarHBondContact O-N 3.11Å; A408-V412 VanDerWaalsContact O-N 3.11Å; I410-V412 VanDerWaalsContact C-N 3.33Å; I410-V412 PolarHBondContact O-N 3.14Å; V412-A415 PolarHBondContact O-N 2.84Å; V412-K416 WeakPolarHBondContact O-CB 3.35Å; V412-K416 PolarHBondContact O-N 2.78Å; V412-A436 HydrophobicContact CG2-CB 3.9Å; V412-V437 HydrophobicContact CG2-CG2 3.82Å; V412-K442 WeakPolarHBondContact CG1-O 3.4Å; V412-I444 HydrophobicContact CG1-CG1 4.24Å; V412-I444 HydrophobicContact CG1-CG2 3.92Å; V412-I444 WeakPolarHBondContact O-CG2 3.48Å
413K95.5Very high92.2Very high137 Ų13750 Ų5060%0.59625%0.253SS*.Hα-helixtrans-63.7-46.9177.2-178.3-174174.4-166.90111.7A409 I410 G411 K416 N417A409-K413 VanDerWaalsContact O-CB 3.27Å; A409-K413 WeakPolarHBondContact O-CB 3.41Å; A409-K413 PolarHBondContact O-N 3.32Å; I410-K413 WeakPolarHBondContact O-CB 3.32Å; I410-K413 PolarHBondContact O-N 3Å; I410-K413 VanDerWaalsContact O-N 3.08Å; G411-K413 PolarHBondContact O-N 2.92Å; K413-K416 WeakPolarHBondContact O-CB 3.33Å; K413-K416 PolarHBondContact O-N 3.43Å; K413-N417 PolarHBondContact O-N 2.99Å
414M94.1Very high92.3Very high17 Ų1747.3 Ų47.38%0.08424%0.235CC..Hα-helixtrans-61.9-44.2178.3-65.9-178.375.300111V377 I379 V399 I410 G411 K416 N417 N418 E419 L420V377-M414 HydrophobicContact CG1-CE 3.87Å; V377-M414 HydrophobicContact CG1-SD 4.44Å; I379-M414 HydrophobicContact CD1-SD 4.27Å; V399-M414 HydrophobicContact CG2-CE 4.25Å; V399-M414 HydrophobicContact CG2-SD 4.18Å; I410-M414 HydrophobicContact CG2-CG 4.27Å; I410-M414 HydrophobicContact CG2-SD 3.86Å; I410-M414 WeakPolarHBondContact O-CG 3.35Å; I410-M414 PolarHBondContact O-N 2.97Å; G411-M414 PolarHBondContact O-N 2.93Å; M414-K416 PolarHBondContact O-N 3.03Å; M414-N417 PolarHBondContact O-N 2.92Å; M414-N418 PolarHBondContact O-N 2.88Å; M414-E419 HydrophobicContact CB-CB 4.12Å; M414-E419 HydrophobicContact CE-CB 4.43Å; M414-E419 WeakPolarHBondContact CG-OE2 3.26Å; M414-E419 WeakPolarHBondContact O-CB 3.49Å; M414-E419 PolarHBondContact O-N 3.01Å; M414-L420 HydrophobicContact CB-CD1 3.55Å; M414-L420 HydrophobicContact CB-CG 3.85Å; M414-L420 HydrophobicContact CE-CD2 4.45Å; M414-L420 HydrophobicContact SD-CD1 4.44Å
415A92.4Very high92.3Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-60.5-42.4173.700000112.4G411 V412 N417 N418 L420 L423 I444 V601G411-A415 WeakPolarHBondContact O-CB 3.41Å; G411-A415 PolarHBondContact O-N 3.36Å; V412-A415 PolarHBondContact O-N 2.84Å; A415-N417 VanDerWaalsContact C-N 3.25Å; A415-N417 PolarHBondContact O-N 3.17Å; A415-N418 PolarHBondContact O-N 2.87Å; A415-N418 VanDerWaalsContact O-N 3.09Å; A415-L420 HydrophobicContact CB-CB 4.48Å; A415-L423 HydrophobicContact CB-CD1 3.95Å; A415-L423 HydrophobicContact CB-CD2 4.32Å; A415-L423 HydrophobicContact CB-CG 4.12Å; A415-I444 HydrophobicContact CB-CD1 4.22Å; A415-I444 HydrophobicContact CB-CG2 4.39Å; A415-V601 HydrophobicContact CB-CG2 3.8Å
416K90Very high92.1Very high93 Ų9340.5 Ų40.540%0.40421%0.205SC..Hα-helixtrans-61.5-33.9176.2-171167.6-171.5146.10112.8V412 K413 M414 N418 E441 K442 G443 I444V412-K416 WeakPolarHBondContact O-CB 3.35Å; V412-K416 PolarHBondContact O-N 2.78Å; K413-K416 WeakPolarHBondContact O-CB 3.33Å; K413-K416 PolarHBondContact O-N 3.43Å; M414-K416 PolarHBondContact O-N 3.03Å; K416-N418 VanDerWaalsContact C-N 3.26Å; K416-N418 PolarHBondContact O-N 3.18Å; K416-E441 PolarHBondContact NZ-O 3.35Å; K416-K442 WeakPolarHBondContact CD-O 3.32Å; K416-G443 PolarHBondContact NZ-O 3.27Å; K416-I444 HydrophobicContact CB-CG2 3.72Å; K416-I444 HydrophobicContact CG-CG2 4.39Å
417N85.5Confident91.6Very high84 Ų8441.9 Ų41.945%0.44921%0.211SC..THydrogen-bonded Turntrans-81.71.3177.6-70.2-8.9000113.8K413 M414 A415 E419K413-N417 PolarHBondContact O-N 2.99Å; M414-N417 PolarHBondContact O-N 2.92Å; A415-N417 VanDerWaalsContact C-N 3.25Å; A415-N417 PolarHBondContact O-N 3.17Å; N417-E419 HydrophobicContact CB-CG 3.88Å; N417-E419 WeakPolarHBondContact CB-OE1 3.4Å; N417-E419 PolarHBondContact ND2-OE1 3.19Å; N417-E419 PolarHBondContact O-N 3.06Å
418N81Confident91.2Very high106 Ų10642.3 Ų42.357%0.56721%0.214SC*.THydrogen-bonded Turntrans62.924.3-172.7-51.5-80.8000114.2R350 M414 A415 K416 L420R350-N418 PolarHBondContact NH1-O 2.93Å; R350-N418 PolarHBondContact NH2-O 3.48Å; M414-N418 PolarHBondContact O-N 2.88Å; A415-N418 PolarHBondContact O-N 2.87Å; A415-N418 VanDerWaalsContact O-N 3.09Å; K416-N418 VanDerWaalsContact C-N 3.26Å; K416-N418 PolarHBondContact O-N 3.18Å; N418-L420 VanDerWaalsContact C-N 3.33Å
419E83.5Confident90.5Very high79 Ų7948.1 Ų48.137%0.36924%0.241SC..SBendtrans-79.4-21.1173.9-61.6165.6-14700111.4R350 M414 N417R350-E419 WeakPolarHBondContact CD-O 3.43Å; R350-E419 PolarHBondContact NH1-O 3Å; M414-E419 HydrophobicContact CB-CB 4.12Å; M414-E419 HydrophobicContact CE-CB 4.43Å; M414-E419 WeakPolarHBondContact CG-OE2 3.26Å; M414-E419 WeakPolarHBondContact O-CB 3.49Å; M414-E419 PolarHBondContact O-N 3.01Å; N417-E419 HydrophobicContact CB-CG 3.88Å; N417-E419 WeakPolarHBondContact CB-OE1 3.4Å; N417-E419 PolarHBondContact ND2-OE1 3.19Å; N417-E419 PolarHBondContact O-N 3.06Å
420L88.3Confident89.9Confident2 Ų248.1 Ų48.11%0.0124%0.235CC..  trans-125.7142.4178-58.5171.1000110.3R350 V377 M414 A415 N418 L423R350-L420 HydrophobicContact CB-CD2 4.42Å; V377-L420 HydrophobicContact CB-CD2 3.78Å; V377-L420 HydrophobicContact CG1-CD2 4.3Å; V377-L420 HydrophobicContact CG2-CD2 3.65Å; M414-L420 HydrophobicContact CB-CD1 3.55Å; M414-L420 HydrophobicContact CB-CG 3.85Å; M414-L420 HydrophobicContact CE-CD2 4.45Å; M414-L420 HydrophobicContact SD-CD1 4.44Å; A415-L420 HydrophobicContact CB-CB 4.48Å; N418-L420 VanDerWaalsContact C-N 3.33Å; L420-L423 HydrophobicContact CD1-CD2 3.59Å
421D86.9Confident89.3Confident50 Ų5056.3 Ų56.327%0.26726%0.264SS..SBendtrans-95-25.8177.4-56.8-62.1000111.7I349 R350 V601I349-D421 HydrophobicContact CG2-CB 3.81Å; R350-D421 WeakPolarHBondContact CB-OD2 3.32Å; R350-D421 IonicContact CZ-OD2 3.44Å; R350-D421 PolarHBondContact N-OD2 2.99Å; R350-D421 IonicContact NE-OD2 2.8Å; R350-D421 PolarHBondContact NE-OD2 2.93Å; R350-D421 IonicContact NH2-OD1 3.93Å; R350-D421 PolarHBondContact NH2-OD1 3.05Å; R350-D421 VanDerWaalsContact NH2-OD1 3.14Å; R350-D421 IonicContact NH2-OD2 2.76Å; R350-D421 PolarHBondContact NH2-OD2 3.3Å; R350-D421 PolarHBondContact O-N 2.87Å; D421-V601 WeakPolarHBondContact O-CB 3.48Å; D421-V601 WeakPolarHBondContact O-CG1 3.39Å
422F90.5Very high88.9Confident62 Ų6257.4 Ų57.427%0.27227%0.27SS..EExtended strand (participates in β ladder)trans-139.3154.5175.2-73-102.5000111I349 R350 I351 G352 P602I349-F422 HydrophobicContact CD1-CE2 4.44Å; I349-F422 HydrophobicContact CG2-CD2 3.21Å; I349-F422 HydrophobicContact CG2-CE2 3.41Å; I349-F422 VanDerWaalsContact CG2-CE2 3.41Å; I349-F422 HydrophobicContact CG2-CG 4.38Å; R350-F422 PolarHBondContact O-N 2.72Å; R350-F422 VanDerWaalsContact O-N 3.11Å; I351-F422 HydrophobicContact CB-CB 4.4Å; I351-F422 HydrophobicContact CD1-CB 4.43Å; I351-F422 HydrophobicContact CG1-CB 4.03Å; G352-F422 PolarHBondContact N-O 3.07Å; F422-P602 HydrophobicContact CD1-CB 3.8Å; F422-P602 HydrophobicContact CD1-CG 4.02Å; F422-P602 HydrophobicContact CE1-CB 3.71Å; F422-P602 HydrophobicContact CE1-CG 3.62Å; F422-P602 HydrophobicContact CZ-CG 4.21Å
423L95.4Very high88.7Confident0 Ų057.2 Ų57.20%027%0.269CS..EExtended strand (participates in β ladder)trans-113.4148.7162.9-68.3174.6000110.5G352 V354 A415 L420 F433 I444 V601 P602 I603 V604G352-L423 CarbonylContact O-C 3.46Å; G352-L423 WeakPolarHBondContact O-CA 3.46Å; V354-L423 HydrophobicContact CG2-CD2 4.01Å; A415-L423 HydrophobicContact CB-CD1 3.95Å; A415-L423 HydrophobicContact CB-CD2 4.32Å; A415-L423 HydrophobicContact CB-CG 4.12Å; L420-L423 HydrophobicContact CD1-CD2 3.59Å; L423-F433 HydrophobicContact CB-CZ 4.13Å; L423-F433 HydrophobicContact CD1-CE2 4.37Å; L423-F433 HydrophobicContact CD1-CZ 4.19Å; L423-I444 HydrophobicContact CD1-CD1 3.68Å; L423-V601 HydrophobicContact CD1-CG2 4.31Å; L423-V601 HydrophobicContact CG-CG2 4.12Å; L423-P602 PolarHBondContact N-O 2.96Å; L423-P602 VanDerWaalsContact N-O 3.15Å; L423-I603 HydrophobicContact CB-CG1 4.27Å; L423-I603 HydrophobicContact CB-CG2 4.36Å; L423-I603 CarbonylContact O-C 3.58Å; L423-I603 VanDerWaalsContact O-CA 3.31Å; L423-I603 WeakPolarHBondContact O-CA 3.5Å; L423-V604 PolarHBondContact O-N 3.37Å
424M94.4Very high88.5Confident10 Ų1052.2 Ų52.25%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-131.1126.1175179.2170-179.300109.2I351 G352 V353 V354 S364 V365 G426 V604 Q606I351-M424 HydrophobicContact CD1-CB 4.06Å; I351-M424 HydrophobicContact CD1-SD 4.12Å; I351-M424 HydrophobicContact CG1-CB 4.16Å; G352-M424 PolarHBondContact O-N 3.3Å; V353-M424 HydrophobicContact CG2-CB 4.45Å; V353-M424 HydrophobicContact CG2-SD 4.34Å; V354-M424 PolarHBondContact N-O 2.91Å; S364-M424 WeakPolarHBondContact OG-CE 3.35Å; V365-M424 HydrophobicContact CG1-SD 3.85Å; M424-G426 PolarHBondContact O-N 2.9Å; M424-V604 HydrophobicContact CB-CB 4.18Å; M424-V604 HydrophobicContact CG-CB 4.12Å; M424-V604 HydrophobicContact CG-CG1 4.32Å; M424-Q606 HydrophobicContact CE-CG 3.67Å
425K92.2Very high88.4Confident27 Ų2759 Ų5912%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-74115.3176-173.1-160.4162.3-148.90109.3L428 T430 F433 V604 M605K425-L428 HydrophobicContact CD-CD2 4.41Å; K425-L428 WeakPolarHBondContact CE-O 3.17Å; K425-L428 HydrophobicContact CG-CD2 3.43Å; K425-L428 VanDerWaalsContact CG-CD2 3.43Å; K425-L428 PolarHBondContact NZ-O 3.32Å; K425-L428 VanDerWaalsContact NZ-O 3.13Å; K425-T430 WeakPolarHBondContact CE-OG1 3.47Å; K425-T430 PolarHBondContact NZ-OG1 3.05Å; K425-F433 HydrophobicContact CB-CD1 3.77Å; K425-F433 HydrophobicContact CB-CE1 3.75Å; K425-F433 HydrophobicContact CD-CD1 4.35Å; K425-F433 HydrophobicContact CG-CD1 3.71Å; K425-F433 HydrophobicContact CG-CE1 4.2Å; K425-F433 HydrophobicContact CG-CG 4.48Å; K425-V604 PolarHBondContact N-O 3.22Å; K425-M605 HydrophobicContact CB-SD 4.02Å; K425-M605 HydrophobicContact CD-CE 3.8Å; K425-M605 HydrophobicContact CD-SD 3.98Å
426G90Very high88.5Confident8 Ų859.9 Ų59.98%0.08229%0.286CS..  trans-89.2-141.6169.100000112.8V354 M424 L428V354-G426 WeakPolarHBondContact O-CA 3.24Å; V354-G426 PolarHBondContact O-N 3.14Å; M424-G426 PolarHBondContact O-N 2.9Å; G426-L428 VanDerWaalsContact C-N 3.32Å; G426-L428 WeakPolarHBondContact O-CD2 3.41Å; G426-L428 PolarHBondContact O-N 3.47Å
427H85.4Confident88.6Confident108 Ų10855.5 Ų55.550%0.527%0.266SS..SBendtrans-82.469.3-174.7-161.777000113C355 D358C355-H427 PolarHBondContact O-N 3.37Å; C355-H427 PolarHBondContact SG-O 3.01Å; D358-H427 WeakPolarHBondContact OD1-CB 3.46Å
428L87.9Confident89Confident10 Ų1055.2 Ų55.25%0.05227%0.267CS..SBendtrans-141.6165.5172.375.6176.2000112.4V354 C355 E404 A408 K425 G426 T430 F433V354-L428 HydrophobicContact CG1-CD1 3.77Å; V354-L428 HydrophobicContact CG1-CD2 4.44Å; V354-L428 WeakPolarHBondContact O-CD2 3.36Å; C355-L428 HydrophobicContact CB-CB 3.86Å; C355-L428 HydrophobicContact CB-CD1 4.23Å; C355-L428 HydrophobicContact CB-CD2 4.01Å; C355-L428 HydrophobicContact CB-CG 4.25Å; E404-L428 HydrophobicContact CB-CB 4Å; E404-L428 HydrophobicContact CG-CB 3.73Å; A408-L428 HydrophobicContact CB-CD1 4.17Å; K425-L428 HydrophobicContact CD-CD2 4.41Å; K425-L428 WeakPolarHBondContact CE-O 3.17Å; K425-L428 HydrophobicContact CG-CD2 3.43Å; K425-L428 VanDerWaalsContact CG-CD2 3.43Å; K425-L428 PolarHBondContact NZ-O 3.32Å; K425-L428 VanDerWaalsContact NZ-O 3.13Å; G426-L428 VanDerWaalsContact C-N 3.32Å; G426-L428 WeakPolarHBondContact O-CD2 3.41Å; G426-L428 PolarHBondContact O-N 3.47Å; L428-T430 PolarHBondContact O-N 3.05Å; L428-F433 HydrophobicContact CD1-CB 3.87Å; L428-F433 HydrophobicContact CD1-CD2 4.5Å; L428-F433 HydrophobicContact CD1-CG 4.36Å; L428-F433 HydrophobicContact CD2-CB 4.48Å; L428-F433 HydrophobicContact CG-CB 4.13Å
429Q82Confident89.5Confident121 Ų12153.6 Ų53.657%0.56526%0.259SS*.  trans-67.8131.2175.9-63.7-174.715.700111.2E404 R431 T432 F433E404-Q429 PolarHBondContact OE2-N 3.01Å; Q429-R431 PolarHBondContact O-N 3.46Å; Q429-R431 VanDerWaalsContact O-N 3.14Å; Q429-T432 WeakPolarHBondContact O-CB 3.42Å; Q429-T432 PolarHBondContact O-N 3.2Å; Q429-F433 PolarHBondContact O-N 3.44Å; Q429-F433 VanDerWaalsContact O-N 3.08Å
430T83.3Confident89.6Confident56 Ų5661.6 Ų61.634%0.34429%0.286SS..Hα-helixtrans-53.8-37.3177.3-59.10000111.8K425 L428 F433 L434 M605K425-T430 WeakPolarHBondContact CE-OG1 3.47Å; K425-T430 PolarHBondContact NZ-OG1 3.05Å; L428-T430 PolarHBondContact O-N 3.05Å; T430-F433 PolarHBondContact O-N 3.1Å; T430-L434 HydrophobicContact CG2-CD1 3.7Å; T430-L434 HydrophobicContact CG2-CG 4.1Å; T430-L434 WeakPolarHBondContact O-CB 3.48Å; T430-L434 WeakPolarHBondContact O-CG 3.46Å; T430-L434 PolarHBondContact O-N 3.22Å; T430-M605 HydrophobicContact CG2-CE 3.67Å
431R84.3Confident89.6Confident210 Ų21069.2 Ų69.279%0.79232%0.321SS*.Hα-helixtrans-64.3-43177.8-174.5-179.1-178-171.91112.4Q429 K435Q429-R431 PolarHBondContact O-N 3.46Å; Q429-R431 VanDerWaalsContact O-N 3.14Å; R431-K435 VanDerWaalsContact O-CB 3.26Å; R431-K435 WeakPolarHBondContact O-CB 3.43Å; R431-K435 PolarHBondContact O-N 3.46Å
432T89Confident89.8Confident22 Ų2273.9 Ų73.914%0.13534%0.339CS..Hα-helixtrans-62.7-47.1178.1-55.90000110.1E404 E405 Q429 K435 A436E404-T432 HydrophobicContact CB-CG2 4.01Å; E405-T432 HydrophobicContact CB-CG2 4.46Å; E405-T432 HydrophobicContact CG-CG2 3.89Å; Q429-T432 WeakPolarHBondContact O-CB 3.42Å; Q429-T432 PolarHBondContact O-N 3.2Å; T432-K435 PolarHBondContact O-N 2.93Å; T432-A436 PolarHBondContact O-N 2.8Å
433F92.2Very high89.7Confident0 Ų071.4 Ų71.40%033%0.331CS..Hα-helixtrans-63.2-51.8179-173.6-146.3000112.6V354 A408 L423 K425 L428 Q429 T430 K435 A436 V437 I603V354-F433 HydrophobicContact CB-CE2 4.18Å; V354-F433 HydrophobicContact CB-CZ 4.46Å; V354-F433 HydrophobicContact CG1-CD2 4.09Å; V354-F433 HydrophobicContact CG1-CE2 4.08Å; V354-F433 HydrophobicContact CG2-CE2 3.8Å; V354-F433 HydrophobicContact CG2-CZ 4.04Å; A408-F433 HydrophobicContact CB-CD2 4.1Å; L423-F433 HydrophobicContact CB-CZ 4.13Å; L423-F433 HydrophobicContact CD1-CE2 4.37Å; L423-F433 HydrophobicContact CD1-CZ 4.19Å; K425-F433 HydrophobicContact CB-CD1 3.77Å; K425-F433 HydrophobicContact CB-CE1 3.75Å; K425-F433 HydrophobicContact CD-CD1 4.35Å; K425-F433 HydrophobicContact CG-CD1 3.71Å; K425-F433 HydrophobicContact CG-CE1 4.2Å; K425-F433 HydrophobicContact CG-CG 4.48Å; L428-F433 HydrophobicContact CD1-CB 3.87Å; L428-F433 HydrophobicContact CD1-CD2 4.5Å; L428-F433 HydrophobicContact CD1-CG 4.36Å; L428-F433 HydrophobicContact CD2-CB 4.48Å; L428-F433 HydrophobicContact CG-CB 4.13Å; Q429-F433 PolarHBondContact O-N 3.44Å; Q429-F433 VanDerWaalsContact O-N 3.08Å; T430-F433 PolarHBondContact O-N 3.1Å; F433-K435 VanDerWaalsContact C-N 3.28Å; F433-K435 PolarHBondContact O-N 3.08Å; F433-A436 WeakPolarHBondContact O-CB 3.41Å; F433-A436 PolarHBondContact O-N 3.27Å; F433-A436 VanDerWaalsContact O-N 3.12Å; F433-V437 HydrophobicContact CD2-CG2 4.28Å; F433-V437 HydrophobicContact CE2-CG2 4.06Å; F433-V437 HydrophobicContact CZ-CG2 4.36Å; F433-V437 WeakPolarHBondContact O-CG2 3.49Å; F433-V437 PolarHBondContact O-N 3.45Å; F433-I603 HydrophobicContact CD1-CG2 4.48Å; F433-I603 HydrophobicContact CE1-CG2 3.39Å; F433-I603 HydrophobicContact CZ-CG2 3.79Å
434L89.8Confident89.6Confident32 Ų3271.7 Ų71.717%0.16833%0.332CS..Hα-helixtrans-64.6-31.7-178.3-70.6-179.3000112.9T430 A436 V437 V438 M472 I596T430-L434 HydrophobicContact CG2-CD1 3.7Å; T430-L434 HydrophobicContact CG2-CG 4.1Å; T430-L434 WeakPolarHBondContact O-CB 3.48Å; T430-L434 WeakPolarHBondContact O-CG 3.46Å; T430-L434 PolarHBondContact O-N 3.22Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.05Å; L434-V437 PolarHBondContact O-N 3.44Å; L434-V438 VanDerWaalsContact O-CG2 3.29Å; L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.31Å; L434-M472 HydrophobicContact CD1-CE 4.09Å; L434-M472 HydrophobicContact CD2-CE 4.32Å; L434-I596 HydrophobicContact CD2-CD1 3.76Å
435K92.5Very high89.4Confident158 Ų15873.4 Ų73.469%0.68735%0.348SS*.Hα-helixtrans-59.6-37.9174.9-175.1-176.9176.3-168.60111.9R431 T432 F433 D439R431-K435 VanDerWaalsContact O-CB 3.26Å; R431-K435 WeakPolarHBondContact O-CB 3.43Å; R431-K435 PolarHBondContact O-N 3.46Å; T432-K435 PolarHBondContact O-N 2.93Å; F433-K435 VanDerWaalsContact C-N 3.28Å; F433-K435 PolarHBondContact O-N 3.08Å; K435-D439 PolarHBondContact O-N 3.49Å
436A94.3Very high89.1Confident20 Ų2077 Ų7717%0.16537%0.373CS..Hα-helixtrans-70.6-42.2174.400000111.6A408 V412 T432 F433 L434 V438 D439 G443A408-A436 HydrophobicContact CB-CB 3.85Å; V412-A436 HydrophobicContact CG2-CB 3.9Å; T432-A436 PolarHBondContact O-N 2.8Å; F433-A436 WeakPolarHBondContact O-CB 3.41Å; F433-A436 PolarHBondContact O-N 3.27Å; F433-A436 VanDerWaalsContact O-N 3.12Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.05Å; A436-V438 VanDerWaalsContact C-N 3.35Å; A436-V438 PolarHBondContact O-N 2.86Å; A436-D439 WeakPolarHBondContact O-CB 3.41Å; A436-D439 PolarHBondContact O-N 3.15Å; A436-G443 WeakPolarHBondContact O-CA 3.46Å
437V93.1Very high88.6Confident0 Ų078.3 Ų78.30%038%0.38CS..Hα-helixtrans-60.5-41.8-179.5173.80000112.1V412 F433 L434 G443 I444 A445 L450 A599 I603V412-V437 HydrophobicContact CG2-CG2 3.82Å; F433-V437 HydrophobicContact CD2-CG2 4.28Å; F433-V437 HydrophobicContact CE2-CG2 4.06Å; F433-V437 HydrophobicContact CZ-CG2 4.36Å; F433-V437 WeakPolarHBondContact O-CG2 3.49Å; F433-V437 PolarHBondContact O-N 3.45Å; L434-V437 PolarHBondContact O-N 3.44Å; V437-G443 VanDerWaalsContact O-CA 3.31Å; V437-G443 WeakPolarHBondContact O-CA 3.42Å; V437-I444 HydrophobicContact CB-CG1 4.46Å; V437-I444 HydrophobicContact CG1-CD1 4.36Å; V437-I444 HydrophobicContact CG1-CG1 3.88Å; V437-I444 PolarHBondContact O-N 3.19Å; V437-A445 PolarHBondContact O-N 3.2Å; V437-L450 HydrophobicContact CG1-CD1 3.79Å; V437-A599 HydrophobicContact CG1-CB 4.42Å; V437-I603 HydrophobicContact CB-CD1 4.41Å; V437-I603 HydrophobicContact CG1-CD1 3.71Å; V437-I603 HydrophobicContact CG2-CD1 3.77Å
438V92.4Very high88.4Confident78 Ų7883 Ų8347%0.47340%0.399SS..THydrogen-bonded Turntrans-92.17.3-177.4-54.30000114.2L434 A436 R440 L450L434-V438 VanDerWaalsContact O-CG2 3.29Å; L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.31Å; A436-V438 VanDerWaalsContact C-N 3.35Å; A436-V438 PolarHBondContact O-N 2.86Å; V438-R440 PolarHBondContact O-N 3.23Å; V438-L450 HydrophobicContact CG1-CD1 3.48Å; V438-L450 VanDerWaalsContact CG1-CD1 3.48Å; V438-L450 HydrophobicContact CG1-CG 4.46Å
439D92.4Very high88.5Confident72 Ų7283.4 Ų83.439%0.38540%0.401SS..  trans-60.1134.4176.8-175.2-79.4000110.7K435 A436 E441 K442 G443K435-D439 PolarHBondContact O-N 3.49Å; A436-D439 WeakPolarHBondContact O-CB 3.41Å; A436-D439 PolarHBondContact O-N 3.15Å; D439-E441 VanDerWaalsContact C-N 3.34Å; D439-E441 PolarHBondContact O-N 2.79Å; D439-E441 PolarHBondContact OD1-N 2.99Å; D439-K442 HydrophobicContact CB-CB 4.49Å; D439-K442 PolarHBondContact OD1-N 2.87Å; D439-G443 WeakPolarHBondContact O-CA 3.03Å; D439-G443 PolarHBondContact O-N 3.46Å
440R86.4Confident88.9Confident248 Ų24878.5 Ų78.594%0.93638%0.379SS*.THydrogen-bonded Turntrans-68.1-30.9-172.6-71.5-175.7176-178.8-1.4113.8V438V438-R440 PolarHBondContact O-N 3.23Å
441E87.7Confident89.3Confident161 Ų16175.9 Ų75.975%0.75236%0.363SS*.THydrogen-bonded Turntrans-102-41.1-175.5-67.4-177.5177.300111.2K416 D439K416-E441 PolarHBondContact NZ-O 3.35Å; D439-E441 VanDerWaalsContact C-N 3.34Å; D439-E441 PolarHBondContact O-N 2.79Å; D439-E441 PolarHBondContact OD1-N 2.99Å
442K90Very high89.7Confident149 Ų14967.2 Ų67.265%0.64833%0.331SS*.THydrogen-bonded Turntrans-106.5-16.2-171.3-59.5179.9-173.9176.70113.4V412 K416 D439V412-K442 WeakPolarHBondContact CG1-O 3.4Å; K416-K442 WeakPolarHBondContact CD-O 3.32Å; D439-K442 HydrophobicContact CB-CB 4.49Å; D439-K442 PolarHBondContact OD1-N 2.87Å
443G89.3Confident89.9Confident9 Ų966.2 Ų66.29%0.09333%0.325CS..  trans-70.1178.1-17800000113.9K416 A436 V437 D439K416-G443 PolarHBondContact NZ-O 3.27Å; A436-G443 WeakPolarHBondContact O-CA 3.46Å; V437-G443 VanDerWaalsContact O-CA 3.31Å; V437-G443 WeakPolarHBondContact O-CA 3.42Å; D439-G443 WeakPolarHBondContact O-CA 3.03Å; D439-G443 PolarHBondContact O-N 3.46Å
444I92.5Very high89.9Confident6 Ų666.3 Ų66.33%0.03133%0.326CS..  trans-124.25-174.456.7168.8000112.9V412 A415 K416 L423 V437 T446 A599 S600 V601 I603V412-I444 HydrophobicContact CG1-CG1 4.24Å; V412-I444 HydrophobicContact CG1-CG2 3.92Å; V412-I444 WeakPolarHBondContact O-CG2 3.48Å; A415-I444 HydrophobicContact CB-CD1 4.22Å; A415-I444 HydrophobicContact CB-CG2 4.39Å; K416-I444 HydrophobicContact CB-CG2 3.72Å; K416-I444 HydrophobicContact CG-CG2 4.39Å; L423-I444 HydrophobicContact CD1-CD1 3.68Å; V437-I444 HydrophobicContact CB-CG1 4.46Å; V437-I444 HydrophobicContact CG1-CD1 4.36Å; V437-I444 HydrophobicContact CG1-CG1 3.88Å; V437-I444 PolarHBondContact O-N 3.19Å; I444-T446 PolarHBondContact O-N 2.9Å; I444-A599 HydrophobicContact CD1-CB 4.11Å; I444-A599 HydrophobicContact CG1-CB 4.09Å; I444-A599 CarbonylContact O-C 3.56Å; I444-A599 VanDerWaalsContact O-CA 3.24Å; I444-A599 WeakPolarHBondContact O-CA 3.45Å; I444-S600 WeakPolarHBondContact CB-OG 3.4Å; I444-S600 PolarHBondContact O-N 2.91Å; I444-V601 HydrophobicContact CD1-CG2 4.06Å; I444-I603 HydrophobicContact CD1-CD1 4.49Å
445A90.1Very high90.1Very high47 Ų4766.1 Ų66.139%0.38833%0.325SS..BIsolated β-bridgetrans-62.9123.1173.500000110.8V437 L450V437-A445 PolarHBondContact O-N 3.2Å; A445-L450 HydrophobicContact CB-CD2 4.25Å; A445-L450 HydrophobicContact CB-CG 4.46Å
446T85.5Confident90.2Very high102 Ų10258.6 Ų58.663%0.62629%0.292SS*.  trans-111-29.4-179.152.10000112.3I444 G598 A599I444-T446 PolarHBondContact O-N 2.9Å; T446-G598 PolarHBondContact N-O 2.93Å; T446-G598 PolarHBondContact OG1-O 3.2Å; T446-G598 VanDerWaalsContact OG1-O 3.12Å; T446-A599 PolarHBondContact OG1-O 3.49Å
447S79.8Confident90.2Very high35 Ų3563 Ų6325%0.24531%0.309CS..SBendtrans-86157.8174.1-176.20000111.4L449 G598S447-L449 WeakPolarHBondContact CB-O 3.3Å; S447-L449 PolarHBondContact O-N 2.78Å; S447-L449 PolarHBondContact OG-N 2.97Å; S447-L449 PolarHBondContact OG-O 2.83Å; S447-G598 PolarHBondContact N-O 2.67Å
448K82.5Confident90.3Very high208 Ų20863.4 Ų63.490%0.90431%0.312SS*.SBendtrans-63.3-21.6170.7-68.7-176.8-178.9175.30112.4I483K448-I483 HydrophobicContact CB-CD1 4.3Å
449L88.8Confident90.2Very high18 Ų1864.4 Ų64.49%0.09432%0.32CS..SBendtrans-136128.4-176.6-167.771.2000108.9S447 V473 E480 I483 L484 H487S447-L449 WeakPolarHBondContact CB-O 3.3Å; S447-L449 PolarHBondContact O-N 2.78Å; S447-L449 PolarHBondContact OG-N 2.97Å; S447-L449 PolarHBondContact OG-O 2.83Å; L449-V473 HydrophobicContact CD1-CG1 4.23Å; L449-V473 HydrophobicContact CD1-CG2 3.54Å; L449-V473 HydrophobicContact CD2-CG2 3.97Å; L449-V473 HydrophobicContact CG-CG2 3.8Å; L449-E480 HydrophobicContact CD1-CG 4.17Å; L449-E480 HydrophobicContact CD2-CB 3.72Å; L449-E480 HydrophobicContact CD2-CG 3.96Å; L449-I483 HydrophobicContact CB-CD1 4.18Å; L449-I483 HydrophobicContact CB-CG2 4.15Å; L449-I483 HydrophobicContact CD2-CB 4.41Å; L449-I483 HydrophobicContact CD2-CG2 4.47Å; L449-L484 HydrophobicContact CD2-CD2 3.92Å; L449-L484 HydrophobicContact CD2-CG 4.4Å; L449-H487 PolarHBondContact O-CE1 3.24Å; L449-H487 VanDerWaalsContact O-CE1 3.32Å
450L91.7Very high90.1Very high18 Ų1867.1 Ų67.19%0.09434%0.339CS..  trans-86.3135.1161.2-66.1-176.7000108.3V437 V438 A445 M472 I596 M597 G598 A599V437-L450 HydrophobicContact CG1-CD1 3.79Å; V438-L450 HydrophobicContact CG1-CD1 3.48Å; V438-L450 VanDerWaalsContact CG1-CD1 3.48Å; V438-L450 HydrophobicContact CG1-CG 4.46Å; A445-L450 HydrophobicContact CB-CD2 4.25Å; A445-L450 HydrophobicContact CB-CG 4.46Å; L450-M472 HydrophobicContact CB-CE 3.63Å; L450-M472 HydrophobicContact CD1-CE 4.4Å; L450-I596 HydrophobicContact CB-CG2 4.04Å; L450-M597 WeakPolarHBondContact CA-O 3.49Å; L450-G598 WeakPolarHBondContact CD2-O 3.34Å; L450-A599 HydrophobicContact CD2-CB 4.13Å
451S91.5Very high90.5Very high1 Ų156.5 Ų56.51%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-131.5138.9-178.868.80000112.5H487 I596 M597S451-H487 PolarHBondContact OG-ND1 3.33Å; S451-I596 WeakPolarHBondContact O-CA 3.49Å; S451-M597 PolarHBondContact N-O 3.36Å; S451-M597 PolarHBondContact O-N 3.3Å
452H91.6Very high90.7Very high28 Ų2854.2 Ų54.213%0.1329%0.288CS..EExtended strand (participates in β ladder)trans-75.7135.3168.8179.4-126.6000110.4D469 M472 G594 L595H452-D469 VanDerWaalsContact O-CA 3.26Å; H452-D469 WeakPolarHBondContact O-CA 3.48Å; H452-D469 PolarHBondContact O-N 2.81Å; H452-M472 HydrophobicContact CB-CB 4.5Å; H452-M472 HydrophobicContact CB-CG 4.01Å; H452-M472 HydrophobicContact CB-SD 4.15Å; H452-G594 WeakPolarHBondContact NE2-CA 3.44Å; H452-L595 CarbonylContact C-O 3.51Å; H452-L595 WeakPolarHBondContact CA-O 3.42Å; H452-L595 PolarHBondContact CD2-O 2.92Å
453V93.4Very high90.9Very high1 Ų149.4 Ų49.41%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-128.5123.5175.7170.80000107L466 H487 V491 L595 M597V453-L466 HydrophobicContact CG1-CD1 3.47Å; V453-L466 VanDerWaalsContact CG1-CD1 3.47Å; V453-L466 HydrophobicContact CG1-CD2 3.76Å; V453-L466 HydrophobicContact CG1-CG 3.57Å; V453-H487 HydrophobicContact CG2-CB 4.45Å; V453-V491 HydrophobicContact CG1-CB 4.44Å; V453-V491 HydrophobicContact CG1-CG1 4.42Å; V453-V491 HydrophobicContact CG1-CG2 4.19Å; V453-L595 PolarHBondContact N-O 3.21Å; V453-L595 PolarHBondContact O-N 3.41Å; V453-M597 HydrophobicContact CB-CG 4.43Å; V453-M597 HydrophobicContact CG2-CG 3.96Å
454A93.6Very high91.2Very high2 Ų252.6 Ų52.62%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-115.4123-18000000110.7N456 L466 T467 M592 A593A454-N456 PolarHBondContact O-ND2 2.84Å; A454-N456 VanDerWaalsContact O-ND2 3.07Å; A454-L466 CarbonylContact O-C 3.52Å; A454-L466 WeakPolarHBondContact O-CA 3.49Å; A454-T467 WeakPolarHBondContact CB-OG1 3.41Å; A454-T467 PolarHBondContact N-O 3.24Å; A454-T467 PolarHBondContact O-N 3.46Å; A454-M592 HydrophobicContact CB-CG 3.82Å; A454-M592 HydrophobicContact CB-SD 3.85Å; A454-A593 WeakPolarHBondContact CA-O 3.3Å
455L93.8Very high91.4Very high27 Ų2752.3 Ų52.314%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-88.9123.6169.4-71.1170.6000108.8L466 V491 M492 I495 M592 A593L455-L466 HydrophobicContact CD2-CB 4.08Å; L455-L466 HydrophobicContact CD2-CD1 4.06Å; L455-L466 HydrophobicContact CD2-CG 4.28Å; L455-V491 HydrophobicContact CD1-CG1 4.2Å; L455-V491 HydrophobicContact CD2-CG1 4.4Å; L455-V491 HydrophobicContact CG-CG1 4.45Å; L455-M492 HydrophobicContact CD2-SD 4.33Å; L455-I495 HydrophobicContact CD2-CD1 4.09Å; L455-M592 WeakPolarHBondContact O-CA 3.36Å; L455-A593 PolarHBondContact N-O 3.03Å; L455-A593 PolarHBondContact O-N 2.68Å
456N94.1Very high91.7Very high0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-115.7120.4-176.2-53.2-91000110A454 I458 L465 T467 L584 K591A454-N456 PolarHBondContact O-ND2 2.84Å; A454-N456 VanDerWaalsContact O-ND2 3.07Å; N456-I458 HydrophobicContact CB-CD1 4.2Å; N456-I458 HydrophobicContact CB-CG1 3.93Å; N456-L465 WeakPolarHBondContact CB-O 3.2Å; N456-L465 PolarHBondContact N-O 3.39Å; N456-L465 PolarHBondContact ND2-O 3Å; N456-L465 PolarHBondContact O-N 3.26Å; N456-T467 WeakPolarHBondContact ND2-CG2 3.49Å; N456-T467 PolarHBondContact ND2-OG1 3.38Å; N456-L584 HydrophobicContact CB-CD1 4.35Å; N456-K591 WeakPolarHBondContact CA-O 3.39Å
457E95Very high92.2Very high112 Ų11245.5 Ų45.552%0.52323%0.234SC..EExtended strand (participates in β ladder)trans-90.7103.4164.6-175.7-174.5-167.600107.7L464 A590 K591E457-L464 HydrophobicContact CB-CD2 3.9Å; E457-A590 CarbonylContact O-C 3.56Å; E457-A590 WeakPolarHBondContact O-CA 3.32Å; E457-A590 WeakPolarHBondContact O-CB 3.48Å; E457-K591 HydrophobicContact CB-CB 4.4Å; E457-K591 PolarHBondContact N-O 3.46Å; E457-K591 PolarHBondContact O-N 3.4Å
458I94.1Very high92.7Very high10 Ų1044 Ų445%0.05122%0.223CC..  trans-105.5120.8-175.2-52.4159.5000107.9N456 T460 Y461 L465 L584 A588 A590N456-I458 HydrophobicContact CB-CD1 4.2Å; N456-I458 HydrophobicContact CB-CG1 3.93Å; I458-T460 PolarHBondContact O-N 3.43Å; I458-Y461 PolarHBondContact O-N 2.73Å; I458-L465 HydrophobicContact CD1-CB 3.93Å; I458-L465 HydrophobicContact CD1-CD2 3.78Å; I458-L584 HydrophobicContact CD1-CD1 3.99Å; I458-L584 HydrophobicContact CD1-CD2 3.64Å; I458-L584 HydrophobicContact CD1-CG 4.38Å; I458-L584 HydrophobicContact CG1-CD2 4.1Å; I458-L584 HydrophobicContact CG2-CD2 4.46Å; I458-A588 HydrophobicContact CG2-CB 4.16Å; I458-A590 HydrophobicContact CB-CB 4.29Å; I458-A590 HydrophobicContact CG1-CB 3.79Å; I458-A590 HydrophobicContact CG2-CB 4.5Å
459P90.5Very high92.6Very high99 Ų9934.2 Ų34.264%0.64318%0.181SC*.THydrogen-bonded Turntrans-52.5-29.9-176.9-3034.4000115.5A588P459-A588 WeakPolarHBondContact CD-O 3.36Å
460T90.9Very high92.3Very high129 Ų12934 Ų3479%0.79118%0.182SC*.THydrogen-bonded Turntrans-97.11.5-177.253.50000114.3I458I458-T460 PolarHBondContact O-N 3.43Å
461Y94.1Very high91.7Very high25 Ų2535.3 Ų35.310%0.09820%0.201CC..SBendtrans-115.4139.5177.5-164.2-123.4000110.5I458 K463 L465 L548 D565 A566I458-Y461 PolarHBondContact O-N 2.73Å; Y461-K463 HydrophobicContact CD1-CG 4.2Å; Y461-K463 VanDerWaalsContact CD1-O 3.25Å; Y461-K463 WeakPolarHBondContact CD1-O 3.22Å; Y461-K463 HydrophobicContact CE1-CG 3.74Å; Y461-K463 PolarHBondContact O-N 3.17Å; Y461-K463 VanDerWaalsContact O-N 3.16Å; Y461-L465 HydrophobicContact CD1-CB 4.06Å; Y461-L465 HydrophobicContact CE1-CB 4.11Å; Y461-L465 HydrophobicContact CE1-CD1 4.19Å; Y461-L548 HydrophobicContact CE1-CD2 4.28Å; Y461-L548 HydrophobicContact CE2-CB 4.17Å; Y461-L548 HydrophobicContact CE2-CD2 4.05Å; Y461-L548 VanDerWaalsContact CE2-O 3.29Å; Y461-L548 WeakPolarHBondContact CE2-O 3.33Å; Y461-D565 WeakPolarHBondContact OH-CA 3.49Å; Y461-A566 PolarHBondContact OH-N 3.01Å; Y461-A566 VanDerWaalsContact OH-N 3.09Å; Y461-A566 PolarHBondContact OH-O 2.93Å
462H92.4Very high91.3Very high112 Ų11237.9 Ų37.952%0.51921%0.213SC..SBendtrans-75.3-4.3-166.158.4-75.5000115.3D565H462-D565 IonicContact CD2-OD1 2.63Å; H462-D565 IonicContact CE1-OD1 3.84Å; H462-D565 PolarHBondContact CE1-OD1 2.94Å; H462-D565 IonicContact NE2-OD1 2.85Å; H462-D565 PolarHBondContact NE2-OD1 3.01Å
463K94Very high91.1Very high49 Ų4937.3 Ų37.321%0.21321%0.212CC..SBendtrans-155.4174.2-17761.8-178.2-177.3-179.70110.9Y461 D565 A566 D567Y461-K463 HydrophobicContact CD1-CG 4.2Å; Y461-K463 VanDerWaalsContact CD1-O 3.25Å; Y461-K463 WeakPolarHBondContact CD1-O 3.22Å; Y461-K463 HydrophobicContact CE1-CG 3.74Å; Y461-K463 PolarHBondContact O-N 3.17Å; Y461-K463 VanDerWaalsContact O-N 3.16Å; K463-D565 VanDerWaalsContact CE-OD1 3.25Å; K463-D565 WeakPolarHBondContact CE-OD1 3.49Å; K463-D565 PolarHBondContact NZ-O 3.34Å; K463-D565 IonicContact NZ-OD1 3.76Å; K463-D565 PolarHBondContact NZ-OD1 3.32Å; K463-D565 IonicContact NZ-OD2 3.79Å; K463-A566 WeakPolarHBondContact CE-O 3.33Å; K463-D567 WeakPolarHBondContact CE-OD1 3.39Å; K463-D567 VanDerWaalsContact NZ-CG 3.35Å; K463-D567 IonicContact NZ-OD1 3.88Å; K463-D567 PolarHBondContact NZ-OD1 3.08Å; K463-D567 IonicContact NZ-OD2 3.14Å
464L94.5Very high90.7Very high76 Ų7642 Ų4240%0.39824%0.24SC..  trans-63.4136.9171.2-67.5174.1000110.5E457 I495E457-L464 HydrophobicContact CB-CD2 3.9Å; L464-I495 HydrophobicContact CD1-CD1 4.35Å
465L96.7Very high90.5Very high0 Ų046.1 Ų46.10%027%0.269CS..EExtended strand (participates in β ladder)trans-112.7121173-17966.7000109.8N456 I458 Y461 T467 L548 V569N456-L465 WeakPolarHBondContact CB-O 3.2Å; N456-L465 PolarHBondContact N-O 3.39Å; N456-L465 PolarHBondContact ND2-O 3Å; N456-L465 PolarHBondContact O-N 3.26Å; I458-L465 HydrophobicContact CD1-CB 3.93Å; I458-L465 HydrophobicContact CD1-CD2 3.78Å; Y461-L465 HydrophobicContact CD1-CB 4.06Å; Y461-L465 HydrophobicContact CE1-CB 4.11Å; Y461-L465 HydrophobicContact CE1-CD1 4.19Å; L465-T467 HydrophobicContact CD2-CG2 4.43Å; L465-L548 HydrophobicContact CD1-CD2 3.72Å; L465-L548 HydrophobicContact CD2-CD1 3.86Å; L465-L548 HydrophobicContact CD2-CD2 3.77Å; L465-L548 HydrophobicContact CG-CD2 4.4Å; L465-V569 HydrophobicContact CD1-CG1 4.14Å; L465-V569 HydrophobicContact CD1-CG2 4.2Å; L465-V569 HydrophobicContact CD2-CG2 4.18Å; L465-V569 HydrophobicContact CG-CG2 4.29Å
466L96.9Very high90.3Very high0 Ų045.2 Ų45.20%027%0.265CS..EExtended strand (participates in β ladder)trans-86.1121.6171.8-170.8154.7000109.7V453 A454 L455 T468 V491 M492 D567 I568 V569V453-L466 HydrophobicContact CG1-CD1 3.47Å; V453-L466 VanDerWaalsContact CG1-CD1 3.47Å; V453-L466 HydrophobicContact CG1-CD2 3.76Å; V453-L466 HydrophobicContact CG1-CG 3.57Å; A454-L466 CarbonylContact O-C 3.52Å; A454-L466 WeakPolarHBondContact O-CA 3.49Å; L455-L466 HydrophobicContact CD2-CB 4.08Å; L455-L466 HydrophobicContact CD2-CD1 4.06Å; L455-L466 HydrophobicContact CD2-CG 4.28Å; L466-T468 HydrophobicContact CD2-CG2 3.72Å; L466-V491 HydrophobicContact CD1-CB 3.97Å; L466-V491 HydrophobicContact CD1-CG1 3.91Å; L466-M492 HydrophobicContact CB-SD 3.93Å; L466-M492 HydrophobicContact CD1-CG 3.93Å; L466-M492 HydrophobicContact CD1-SD 3.82Å; L466-D567 WeakPolarHBondContact CB-O 3.15Å; L466-D567 PolarHBondContact N-O 2.83Å; L466-I568 HydrophobicContact CB-CG1 4.07Å; L466-I568 HydrophobicContact CD1-CG1 4.45Å; L466-I568 HydrophobicContact CD2-CB 4.36Å; L466-I568 HydrophobicContact CD2-CG1 4.1Å; L466-I568 HydrophobicContact CD2-CG2 3.75Å; L466-I568 HydrophobicContact CG-CG1 4.45Å; L466-I568 CarbonylContact O-C 3.6Å; L466-I568 WeakPolarHBondContact O-CA 3.49Å; L466-V569 PolarHBondContact O-N 2.85Å
467T95.4Very high90.3Very high6 Ų647.7 Ų47.74%0.03728%0.282CS..EExtended strand (participates in β ladder)trans-104133.117055.10000109.1A454 N456 L465 V569 M577 L580 L584A454-T467 WeakPolarHBondContact CB-OG1 3.41Å; A454-T467 PolarHBondContact N-O 3.24Å; A454-T467 PolarHBondContact O-N 3.46Å; N456-T467 WeakPolarHBondContact ND2-CG2 3.49Å; N456-T467 PolarHBondContact ND2-OG1 3.38Å; L465-T467 HydrophobicContact CD2-CG2 4.43Å; T467-V569 HydrophobicContact CG2-CG2 3.72Å; T467-M577 HydrophobicContact CG2-CE 4.25Å; T467-L580 HydrophobicContact CG2-CD2 4.18Å; T467-L584 HydrophobicContact CG2-CD1 4.11Å
468T91.4Very high90.2Very high2 Ų244.7 Ų44.71%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-93.6132.7177.564.40000111L466 I568 V569 V570 M577L466-T468 HydrophobicContact CD2-CG2 3.72Å; T468-I568 HydrophobicContact CG2-CG2 3.9Å; T468-V569 PolarHBondContact N-O 3.02Å; T468-V569 PolarHBondContact OG1-O 2.92Å; T468-V570 HydrophobicContact CG2-CG2 3.92Å; T468-V570 WeakPolarHBondContact OG1-CA 3.42Å; T468-M577 VanDerWaalsContact O-CE 3.32Å; T468-M577 WeakPolarHBondContact O-CE 3.37Å; T468-M577 WeakPolarHBondContact O-CG 2.8Å
469D80.9Confident90.1Very high4 Ų449.5 Ų49.52%0.02129%0.29CS..  trans50.863.9164.2-145.5-21.3000118H452 G471 M472 V473 L484H452-D469 VanDerWaalsContact O-CA 3.26Å; H452-D469 WeakPolarHBondContact O-CA 3.48Å; H452-D469 PolarHBondContact O-N 2.81Å; D469-G471 VanDerWaalsContact C-N 3.29Å; D469-G471 PolarHBondContact OD1-N 2.79Å; D469-M472 WeakPolarHBondContact OD1-CA 3.45Å; D469-M472 PolarHBondContact OD1-N 3.23Å; D469-V473 VanDerWaalsContact CG-N 3.3Å; D469-V473 PolarHBondContact OD1-N 2.96Å; D469-V473 WeakPolarHBondContact OD2-CB 3.38Å; D469-V473 WeakPolarHBondContact OD2-CG2 3.5Å; D469-V473 PolarHBondContact OD2-N 2.93Å; D469-L484 HydrophobicContact CB-CD1 4.11Å; D469-L484 HydrophobicContact CB-CD2 4.08Å
470G81.7Confident90.2Very high12 Ų1247.8 Ų47.812%0.12427%0.273CS..SBendtrans-83.37.9166.600000115.1N578G470-N578 WeakPolarHBondContact O-CB 3.46Å; G470-N578 PolarHBondContact O-ND2 3.15Å
471G79.3Confident90.4Very high47 Ų4742.3 Ų42.349%0.48524%0.238SC..SBendtrans-153.5-9-162.400000118.8D469D469-G471 VanDerWaalsContact C-N 3.29Å; D469-G471 PolarHBondContact OD1-N 2.79Å
472M83.6Confident90.4Very high54 Ų5442 Ų4227%0.26624%0.237SC..SBendtrans-127.9-60.2-174.6-68.5-174.571.100113.5L434 L450 H452 D469 T474 I596L434-M472 HydrophobicContact CD1-CE 4.09Å; L434-M472 HydrophobicContact CD2-CE 4.32Å; L450-M472 HydrophobicContact CB-CE 3.63Å; L450-M472 HydrophobicContact CD1-CE 4.4Å; H452-M472 HydrophobicContact CB-CB 4.5Å; H452-M472 HydrophobicContact CB-CG 4.01Å; H452-M472 HydrophobicContact CB-SD 4.15Å; D469-M472 WeakPolarHBondContact OD1-CA 3.45Å; D469-M472 PolarHBondContact OD1-N 3.23Å; M472-T474 PolarHBondContact O-N 3.43Å; M472-I596 HydrophobicContact CE-CD1 4.2Å; M472-I596 HydrophobicContact CE-CG2 4.02Å; M472-I596 HydrophobicContact SD-CB 4.24Å; M472-I596 HydrophobicContact SD-CD1 3.57Å; M472-I596 VanDerWaalsContact SD-CD1 3.57Å; M472-I596 HydrophobicContact SD-CG1 3.63Å; M472-I596 HydrophobicContact SD-CG2 3.68Å
473V87.7Confident90.5Very high17 Ų1738 Ų3810%0.10322%0.22CC..  trans-90.4110.6-172.5-175.50000109.9L449 D469 P476L449-V473 HydrophobicContact CD1-CG1 4.23Å; L449-V473 HydrophobicContact CD1-CG2 3.54Å; L449-V473 HydrophobicContact CD2-CG2 3.97Å; L449-V473 HydrophobicContact CG-CG2 3.8Å; D469-V473 VanDerWaalsContact CG-N 3.3Å; D469-V473 PolarHBondContact OD1-N 2.96Å; D469-V473 WeakPolarHBondContact OD2-CB 3.38Å; D469-V473 WeakPolarHBondContact OD2-CG2 3.5Å; D469-V473 PolarHBondContact OD2-N 2.93Å; V473-P476 HydrophobicContact CG1-CB 3.77Å; V473-P476 HydrophobicContact CG1-CG 4.43Å
474T84.1Confident90.5Very high98 Ų9835.9 Ų35.960%0.60121%0.211SC*.SBendtrans-65.9-43.8-168.949.60000113.8M472 I574M472-T474 PolarHBondContact O-N 3.43Å; T474-I574 VanDerWaalsContact O-CG2 3.29Å; T474-I574 WeakPolarHBondContact O-CG2 3.35Å; T474-I574 PolarHBondContact O-N 2.76Å
475S89.2Confident90.6Very high89 Ų8932.2 Ų32.262%0.62219%0.192SC*.SBendtrans-150.380.5-178.8-620000109.2S477S475-S477 PolarHBondContact O-N 3.4Å
476P90.7Very high90.5Very high9 Ų937.1 Ų37.16%0.05822%0.215CC..  trans-66.2129.7-173.627-32.7000110.7V473 E480 K481 L484V473-P476 HydrophobicContact CG1-CB 3.77Å; V473-P476 HydrophobicContact CG1-CG 4.43Å; P476-E480 HydrophobicContact CB-CB 3.91Å; P476-K481 HydrophobicContact CB-CG 3.93Å; P476-K481 HydrophobicContact CG-CG 3.95Å; P476-K481 VanDerWaalsContact O-CE 3.29Å; P476-K481 WeakPolarHBondContact O-CE 3.47Å; P476-L484 HydrophobicContact CB-CD1 4.09Å; P476-L484 HydrophobicContact CG-CD1 4.06Å
477S92.2Very high90.3Very high52 Ų5237.9 Ų37.936%0.36422%0.218SC..  trans-64.1169.3167.262.80000111.8S475 E479 E480 K481S475-S477 PolarHBondContact O-N 3.4Å; S477-E479 VanDerWaalsContact C-N 3.3Å; S477-E479 PolarHBondContact O-N 3.36Å; S477-E480 WeakPolarHBondContact CB-OE2 3.47Å; S477-E480 PolarHBondContact N-OE2 2.66Å; S477-E480 PolarHBondContact O-N 3.04Å; S477-E480 VanDerWaalsContact O-N 3.12Å; S477-E480 WeakPolarHBondContact OG-CG 3.42Å; S477-E480 PolarHBondContact OG-N 3Å; S477-E480 PolarHBondContact OG-OE2 2.88Å; S477-K481 WeakPolarHBondContact O-CG 3.5Å; S477-K481 PolarHBondContact O-N 3.47Å
478K92.9Very high90.3Very high49 Ų4937.6 Ų37.621%0.21322%0.216CC..Hα-helixtrans-51.5-48.7175.1-171.7175.468166.10112.4E480 K481 K482 E523 I524 E527K478-E480 PolarHBondContact O-N 3.22Å; K478-K481 PolarHBondContact O-N 3.09Å; K478-K482 PolarHBondContact O-N 3.39Å; K478-K482 VanDerWaalsContact O-N 3.1Å; K478-E523 HydrophobicContact CD-CB 4.01Å; K478-E523 WeakPolarHBondContact CD-OE2 3.43Å; K478-E523 IonicContact NZ-OE2 2.68Å; K478-E523 PolarHBondContact NZ-OE2 3.42Å; K478-I524 HydrophobicContact CD-CG1 4.16Å; K478-I524 HydrophobicContact CG-CD1 3.98Å; K478-I524 HydrophobicContact CG-CG1 3.57Å; K478-E527 WeakPolarHBondContact CE-OE1 3.31Å; K478-E527 IonicContact NZ-OE1 2.92Å; K478-E527 PolarHBondContact NZ-OE1 3.38Å
479E92.5Very high90.4Very high110 Ų11038.1 Ų38.151%0.51422%0.219SC..Hα-helixtrans-64.3-38.8178.9-65.1-55.4125.100112.4S477 K482 I483S477-E479 VanDerWaalsContact C-N 3.3Å; S477-E479 PolarHBondContact O-N 3.36Å; E479-K482 WeakPolarHBondContact O-CB 3.38Å; E479-K482 PolarHBondContact O-N 2.94Å; E479-I483 PolarHBondContact O-N 3.44Å
480E93.8Very high90.9Very high63 Ų6342.4 Ų42.429%0.29424%0.239SC..Hα-helixtrans-67.2-39175.8-73.2165.6139.300111.4L449 P476 S477 K478 K482 I483 L484L449-E480 HydrophobicContact CD1-CG 4.17Å; L449-E480 HydrophobicContact CD2-CB 3.72Å; L449-E480 HydrophobicContact CD2-CG 3.96Å; P476-E480 HydrophobicContact CB-CB 3.91Å; S477-E480 WeakPolarHBondContact CB-OE2 3.47Å; S477-E480 PolarHBondContact N-OE2 2.66Å; S477-E480 PolarHBondContact O-N 3.04Å; S477-E480 VanDerWaalsContact O-N 3.12Å; S477-E480 WeakPolarHBondContact OG-CG 3.42Å; S477-E480 PolarHBondContact OG-N 3Å; S477-E480 PolarHBondContact OG-OE2 2.88Å; K478-E480 PolarHBondContact O-N 3.22Å; E480-K482 VanDerWaalsContact C-N 3.3Å; E480-K482 PolarHBondContact O-N 3.41Å; E480-I483 WeakPolarHBondContact O-CA 3.23Å; E480-I483 WeakPolarHBondContact O-CB 3.3Å; E480-I483 PolarHBondContact O-N 2.87Å; E480-L484 WeakPolarHBondContact O-CG 3.28Å; E480-L484 PolarHBondContact O-N 2.81Å
481K94.5Very high91.4Very high14 Ų1442.3 Ų42.36%0.06124%0.236CC..Hα-helixtrans-60.8-36.7173.2-71.5175.7-177.4167.10112.2P476 S477 K478 I483 L484 I485 E520 I524 P572P476-K481 HydrophobicContact CB-CG 3.93Å; P476-K481 HydrophobicContact CG-CG 3.95Å; P476-K481 VanDerWaalsContact O-CE 3.29Å; P476-K481 WeakPolarHBondContact O-CE 3.47Å; S477-K481 WeakPolarHBondContact O-CG 3.5Å; S477-K481 PolarHBondContact O-N 3.47Å; K478-K481 PolarHBondContact O-N 3.09Å; K481-I483 VanDerWaalsContact C-N 3.29Å; K481-I483 PolarHBondContact O-N 3.5Å; K481-L484 WeakPolarHBondContact O-CB 3.3Å; K481-L484 PolarHBondContact O-N 2.77Å; K481-I485 WeakPolarHBondContact O-CD1 3.49Å; K481-I485 VanDerWaalsContact O-CG1 3.26Å; K481-I485 WeakPolarHBondContact O-CG1 3.34Å; K481-I485 PolarHBondContact O-N 3.37Å; K481-E520 IonicContact NZ-OE2 2.95Å; K481-E520 PolarHBondContact NZ-OE2 3.34Å; K481-I524 HydrophobicContact CB-CD1 3.7Å; K481-I524 HydrophobicContact CD-CD1 3.97Å; K481-I524 HydrophobicContact CG-CD1 4.47Å; K481-P572 WeakPolarHBondContact CE-O 3.43Å; K481-P572 PolarHBondContact NZ-O 3.13Å
482K94.4Very high92.1Very high18 Ų1840.2 Ų40.28%0.07821%0.213CC..Hα-helixtrans-59.8-40.8172.3-62.8178.570.3167.40111.3K478 E479 E480 I485 Q486 I524 E527 F528 E531K478-K482 PolarHBondContact O-N 3.39Å; K478-K482 VanDerWaalsContact O-N 3.1Å; E479-K482 WeakPolarHBondContact O-CB 3.38Å; E479-K482 PolarHBondContact O-N 2.94Å; E480-K482 VanDerWaalsContact C-N 3.3Å; E480-K482 PolarHBondContact O-N 3.41Å; K482-I485 PolarHBondContact O-N 3.24Å; K482-Q486 VanDerWaalsContact O-CG 3.31Å; K482-Q486 WeakPolarHBondContact O-CG 3.41Å; K482-Q486 PolarHBondContact O-N 2.87Å; K482-I524 HydrophobicContact CG-CG2 4.49Å; K482-E527 WeakPolarHBondContact CD-OE2 3.44Å; K482-E527 WeakPolarHBondContact CE-OE2 3.49Å; K482-E527 IonicContact NZ-OE2 3.84Å; K482-E527 PolarHBondContact NZ-OE2 3.19Å; K482-F528 HydrophobicContact CB-CE2 4.01Å; K482-F528 HydrophobicContact CG-CE2 3.96Å; K482-E531 IonicContact NZ-OE1 3.54Å; K482-E531 IonicContact NZ-OE2 3.91Å; K482-E531 PolarHBondContact NZ-OE2 2.92Å
483I94Very high92.2Very high29 Ų2940.6 Ų40.615%0.14922%0.216CC..Hα-helixtrans-66.3-42.7175.2-59.4170.3000111K448 L449 E479 E480 K481 I485 Q486 H487K448-I483 HydrophobicContact CB-CD1 4.3Å; L449-I483 HydrophobicContact CB-CD1 4.18Å; L449-I483 HydrophobicContact CB-CG2 4.15Å; L449-I483 HydrophobicContact CD2-CB 4.41Å; L449-I483 HydrophobicContact CD2-CG2 4.47Å; E479-I483 PolarHBondContact O-N 3.44Å; E480-I483 WeakPolarHBondContact O-CA 3.23Å; E480-I483 WeakPolarHBondContact O-CB 3.3Å; E480-I483 PolarHBondContact O-N 2.87Å; K481-I483 VanDerWaalsContact C-N 3.29Å; K481-I483 PolarHBondContact O-N 3.5Å; I483-I485 VanDerWaalsContact C-N 3.29Å; I483-I485 PolarHBondContact O-N 3.08Å; I483-Q486 PolarHBondContact O-N 3.04Å; I483-H487 PolarHBondContact O-N 3.27Å
484L94.8Very high92Very high4 Ų445.8 Ų45.82%0.02124%0.238CC..Hα-helixtrans-56.6-43.9175.1-61.9-175000111.7L449 D469 P476 E480 K481 G488L449-L484 HydrophobicContact CD2-CD2 3.92Å; L449-L484 HydrophobicContact CD2-CG 4.4Å; D469-L484 HydrophobicContact CB-CD1 4.11Å; D469-L484 HydrophobicContact CB-CD2 4.08Å; P476-L484 HydrophobicContact CB-CD1 4.09Å; P476-L484 HydrophobicContact CG-CD1 4.06Å; E480-L484 WeakPolarHBondContact O-CG 3.28Å; E480-L484 PolarHBondContact O-N 2.81Å; K481-L484 WeakPolarHBondContact O-CB 3.3Å; K481-L484 PolarHBondContact O-N 2.77Å; L484-G488 PolarHBondContact O-N 3.36Å
485I95.6Very high92.1Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-63.8-46.5177.2-65.8159000110.3K481 K482 I483 H487 G488 I489 V502 L504 I524 F528 I538 V570K481-I485 WeakPolarHBondContact O-CD1 3.49Å; K481-I485 VanDerWaalsContact O-CG1 3.26Å; K481-I485 WeakPolarHBondContact O-CG1 3.34Å; K481-I485 PolarHBondContact O-N 3.37Å; K482-I485 PolarHBondContact O-N 3.24Å; I483-I485 VanDerWaalsContact C-N 3.29Å; I483-I485 PolarHBondContact O-N 3.08Å; I485-H487 PolarHBondContact O-N 2.94Å; I485-G488 PolarHBondContact O-N 2.86Å; I485-G488 VanDerWaalsContact O-N 3.16Å; I485-I489 HydrophobicContact CG2-CD1 3.7Å; I485-I489 HydrophobicContact CG2-CG1 4.25Å; I485-I489 VanDerWaalsContact O-CG1 3.3Å; I485-I489 WeakPolarHBondContact O-CG1 3.27Å; I485-I489 PolarHBondContact O-N 2.94Å; I485-V502 HydrophobicContact CG1-CG1 4.27Å; I485-V502 HydrophobicContact CG2-CG1 4.28Å; I485-V502 HydrophobicContact CG2-CG2 4.3Å; I485-L504 HydrophobicContact CD1-CD2 3.74Å; I485-L504 HydrophobicContact CG1-CD2 4.32Å; I485-I524 HydrophobicContact CD1-CG2 3.48Å; I485-I524 VanDerWaalsContact CD1-CG2 3.48Å; I485-F528 HydrophobicContact CB-CE2 4.29Å; I485-F528 HydrophobicContact CB-CZ 3.84Å; I485-F528 HydrophobicContact CD1-CE2 3.94Å; I485-F528 HydrophobicContact CD1-CZ 4.36Å; I485-F528 HydrophobicContact CG2-CD1 4.47Å; I485-F528 HydrophobicContact CG2-CE1 3.7Å; I485-F528 HydrophobicContact CG2-CE2 4.14Å; I485-F528 HydrophobicContact CG2-CZ 3.51Å; I485-I538 HydrophobicContact CD1-CD1 4.18Å; I485-V570 HydrophobicContact CG1-CG2 3.83Å
486Q93.8Very high91.8Very high103 Ų10343.9 Ų43.948%0.48123%0.231SC..Hα-helixtrans-60.2-45.7179-74.3170.5-6.900112.3K482 I483 G488 I489 E490 F528K482-Q486 VanDerWaalsContact O-CG 3.31Å; K482-Q486 WeakPolarHBondContact O-CG 3.41Å; K482-Q486 PolarHBondContact O-N 2.87Å; I483-Q486 PolarHBondContact O-N 3.04Å; Q486-G488 VanDerWaalsContact C-N 3.32Å; Q486-G488 PolarHBondContact O-N 3.2Å; Q486-I489 PolarHBondContact O-N 3.01Å; Q486-E490 PolarHBondContact O-N 2.91Å; Q486-F528 HydrophobicContact CG-CZ 4.15Å
487H94.3Very high91.6Very high15 Ų1545.5 Ų45.57%0.06924%0.241CC..Hα-helixtrans-62-39.7174.6-69168.9000112L449 S451 V453 I483 I485 E490 V491 M597L449-H487 PolarHBondContact O-CE1 3.24Å; L449-H487 VanDerWaalsContact O-CE1 3.32Å; S451-H487 PolarHBondContact OG-ND1 3.33Å; V453-H487 HydrophobicContact CG2-CB 4.45Å; I483-H487 PolarHBondContact O-N 3.27Å; I485-H487 PolarHBondContact O-N 2.94Å; H487-E490 PolarHBondContact O-N 2.77Å; H487-V491 WeakPolarHBondContact O-CG2 3.37Å; H487-V491 PolarHBondContact O-N 3.15Å; H487-V491 VanDerWaalsContact O-N 3.14Å; H487-M597 HydrophobicContact CB-CB 3.77Å; H487-M597 HydrophobicContact CB-CG 4.23Å
488G94.8Very high91.1Very high0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-62.2-45.4173.900000112.7L484 I485 Q486 E490 V491 M492 I568L484-G488 PolarHBondContact O-N 3.36Å; I485-G488 PolarHBondContact O-N 2.86Å; I485-G488 VanDerWaalsContact O-N 3.16Å; Q486-G488 VanDerWaalsContact C-N 3.32Å; Q486-G488 PolarHBondContact O-N 3.2Å; G488-E490 VanDerWaalsContact C-N 3.33Å; G488-E490 PolarHBondContact O-N 2.78Å; G488-V491 PolarHBondContact O-N 3.27Å; G488-M492 WeakPolarHBondContact O-CG 3.29Å; G488-M492 PolarHBondContact O-N 3.19Å; G488-I568 VanDerWaalsContact C-CD1 3.44Å
489I94.2Very high91.1Very high14 Ų1447.4 Ų47.47%0.07226%0.258CS..Hα-helixtrans-60.8-43.9177-68.2168.3000110.4I485 Q486 V491 M492 N493 P500 F528 C536 I568I485-I489 HydrophobicContact CG2-CD1 3.7Å; I485-I489 HydrophobicContact CG2-CG1 4.25Å; I485-I489 VanDerWaalsContact O-CG1 3.3Å; I485-I489 WeakPolarHBondContact O-CG1 3.27Å; I485-I489 PolarHBondContact O-N 2.94Å; Q486-I489 PolarHBondContact O-N 3.01Å; I489-V491 PolarHBondContact O-N 2.7Å; I489-M492 PolarHBondContact O-N 3.46Å; I489-N493 WeakPolarHBondContact O-CB 3.42Å; I489-N493 PolarHBondContact O-N 2.98Å; I489-N493 PolarHBondContact O-ND2 3.44Å; I489-P500 HydrophobicContact CB-CG 4.29Å; I489-P500 HydrophobicContact CG1-CG 3.86Å; I489-P500 HydrophobicContact CG2-CG 4.18Å; I489-F528 HydrophobicContact CD1-CE1 4.08Å; I489-C536 HydrophobicContact CD1-CB 3.85Å; I489-C536 HydrophobicContact CG1-CB 4.3Å; I489-I568 HydrophobicContact CG1-CD1 4.15Å
490E91.1Very high91.2Very high93 Ų9342.2 Ų42.244%0.43523%0.234SC..Hα-helixtrans-56.8-48.8177.4-175.6-177.7173.100111.5Q486 H487 G488 N493 K494 M597Q486-E490 PolarHBondContact O-N 2.91Å; H487-E490 PolarHBondContact O-N 2.77Å; G488-E490 VanDerWaalsContact C-N 3.33Å; G488-E490 PolarHBondContact O-N 2.78Å; E490-N493 PolarHBondContact O-N 2.91Å; E490-K494 VanDerWaalsContact O-CG 3.28Å; E490-K494 WeakPolarHBondContact O-CG 3.2Å; E490-K494 PolarHBondContact O-N 3.09Å; E490-K494 VanDerWaalsContact O-N 3.07Å; E490-M597 HydrophobicContact CG-CE 4.34Å
491V92.2Very high91.4Very high10 Ų1041.4 Ų41.46%0.06123%0.229CC..Hα-helixtrans-62.3-46.3177173.70000111.1V453 L455 L466 H487 G488 I489 N493 K494 I495 L595 M597V453-V491 HydrophobicContact CG1-CB 4.44Å; V453-V491 HydrophobicContact CG1-CG1 4.42Å; V453-V491 HydrophobicContact CG1-CG2 4.19Å; L455-V491 HydrophobicContact CD1-CG1 4.2Å; L455-V491 HydrophobicContact CD2-CG1 4.4Å; L455-V491 HydrophobicContact CG-CG1 4.45Å; L466-V491 HydrophobicContact CD1-CB 3.97Å; L466-V491 HydrophobicContact CD1-CG1 3.91Å; H487-V491 WeakPolarHBondContact O-CG2 3.37Å; H487-V491 PolarHBondContact O-N 3.15Å; H487-V491 VanDerWaalsContact O-N 3.14Å; G488-V491 PolarHBondContact O-N 3.27Å; I489-V491 PolarHBondContact O-N 2.7Å; V491-N493 PolarHBondContact O-N 3.34Å; V491-K494 PolarHBondContact O-N 2.99Å; V491-I495 PolarHBondContact O-N 2.9Å; V491-I495 VanDerWaalsContact O-N 3.15Å; V491-L595 HydrophobicContact CG1-CD1 4.43Å; V491-M597 HydrophobicContact CG2-CE 4.01Å; V491-M597 HydrophobicContact CG2-CG 3.98Å; V491-M597 HydrophobicContact CG2-SD 3.81Å
492M92.8Very high91.6Very high3 Ų340.8 Ų40.82%0.01523%0.226CC..Hα-helixtrans-61.4-41.3179-70.7-50.9-70.600112.6L455 L466 G488 I489 K494 I495 G496 V497 P500 D567 I568L455-M492 HydrophobicContact CD2-SD 4.33Å; L466-M492 HydrophobicContact CB-SD 3.93Å; L466-M492 HydrophobicContact CD1-CG 3.93Å; L466-M492 HydrophobicContact CD1-SD 3.82Å; G488-M492 WeakPolarHBondContact O-CG 3.29Å; G488-M492 PolarHBondContact O-N 3.19Å; I489-M492 PolarHBondContact O-N 3.46Å; M492-K494 VanDerWaalsContact C-N 3.35Å; M492-K494 PolarHBondContact O-N 3.21Å; M492-I495 HydrophobicContact CE-CD1 4.13Å; M492-I495 VanDerWaalsContact O-CG1 3.27Å; M492-I495 WeakPolarHBondContact O-CG1 3.34Å; M492-I495 PolarHBondContact O-N 2.99Å; M492-I495 HydrophobicContact SD-CD1 3.84Å; M492-I495 HydrophobicContact SD-CG1 4.46Å; M492-G496 PolarHBondContact O-N 2.95Å; M492-V497 CarbonylContact C-O 3.54Å; M492-V497 HydrophobicContact CB-CB 4.2Å; M492-V497 HydrophobicContact CE-CB 3.93Å; M492-V497 HydrophobicContact CE-CG1 4.18Å; M492-V497 HydrophobicContact CE-CG2 3.68Å; M492-V497 WeakPolarHBondContact O-CA 3.39Å; M492-V497 WeakPolarHBondContact O-CB 3.07Å; M492-V497 PolarHBondContact O-N 2.85Å; M492-P500 HydrophobicContact CB-CB 3.88Å; M492-P500 HydrophobicContact CB-CG 4.06Å; M492-P500 HydrophobicContact CG-CB 4.01Å; M492-D567 HydrophobicContact CE-CB 3.66Å; M492-I568 HydrophobicContact CB-CD1 4.48Å; M492-I568 HydrophobicContact CG-CD1 3.67Å; M492-I568 HydrophobicContact CG-CG1 3.65Å; M492-I568 HydrophobicContact SD-CG1 4.5Å
493N87.6Confident91.7Very high62 Ų6239.9 Ų39.933%0.33222%0.223SC..Hα-helixtrans-62.3-42.5176-72.5177.1000111.4I489 E490 V491 I495 G496 V497 A498I489-N493 WeakPolarHBondContact O-CB 3.42Å; I489-N493 PolarHBondContact O-N 2.98Å; I489-N493 PolarHBondContact O-ND2 3.44Å; E490-N493 PolarHBondContact O-N 2.91Å; V491-N493 PolarHBondContact O-N 3.34Å; N493-I495 VanDerWaalsContact C-N 3.27Å; N493-I495 PolarHBondContact O-N 3.44Å; N493-G496 PolarHBondContact O-N 3.31Å; N493-V497 WeakPolarHBondContact CA-O 2.93Å; N493-V497 PolarHBondContact N-O 2.99Å; N493-V497 PolarHBondContact ND2-O 3.46Å; N493-A498 PolarHBondContact ND2-O 3.13Å
494K83.5Confident91.8Very high126 Ų12638.8 Ų38.855%0.54822%0.217SC..Hα-helixtrans-65.1-28.5178.6-70-70.6-178.4178.80113.4E490 V491 M492 G496E490-K494 VanDerWaalsContact O-CG 3.28Å; E490-K494 WeakPolarHBondContact O-CG 3.2Å; E490-K494 PolarHBondContact O-N 3.09Å; E490-K494 VanDerWaalsContact O-N 3.07Å; V491-K494 PolarHBondContact O-N 2.99Å; M492-K494 VanDerWaalsContact C-N 3.35Å; M492-K494 PolarHBondContact O-N 3.21Å; K494-G496 VanDerWaalsContact C-N 3.34Å
495I85.4Confident91.9Very high81 Ų8139.4 Ų39.442%0.41522%0.22SC..THydrogen-bonded Turntrans-92.111174.168.9172.7000113.6L455 L464 V491 M492 N493L455-I495 HydrophobicContact CD2-CD1 4.09Å; L464-I495 HydrophobicContact CD1-CD1 4.35Å; V491-I495 PolarHBondContact O-N 2.9Å; V491-I495 VanDerWaalsContact O-N 3.15Å; M492-I495 HydrophobicContact CE-CD1 4.13Å; M492-I495 VanDerWaalsContact O-CG1 3.27Å; M492-I495 WeakPolarHBondContact O-CG1 3.34Å; M492-I495 PolarHBondContact O-N 2.99Å; M492-I495 HydrophobicContact SD-CD1 3.84Å; M492-I495 HydrophobicContact SD-CG1 4.46Å; N493-I495 VanDerWaalsContact C-N 3.27Å; N493-I495 PolarHBondContact O-N 3.44Å
496G82Confident91.8Very high66 Ų6640 Ų4068%0.6823%0.225SC*.THydrogen-bonded Turntrans96.17.8171.100000116M492 N493 K494M492-G496 PolarHBondContact O-N 2.95Å; N493-G496 PolarHBondContact O-N 3.31Å; K494-G496 VanDerWaalsContact C-N 3.34Å
497V87.4Confident91.5Very high44 Ų4439.3 Ų39.327%0.26724%0.237SC..  trans-97.391.7174.3-176.20000109.3M492 N493 K499 P500M492-V497 CarbonylContact C-O 3.54Å; M492-V497 HydrophobicContact CB-CB 4.2Å; M492-V497 HydrophobicContact CE-CB 3.93Å; M492-V497 HydrophobicContact CE-CG1 4.18Å; M492-V497 HydrophobicContact CE-CG2 3.68Å; M492-V497 WeakPolarHBondContact O-CA 3.39Å; M492-V497 WeakPolarHBondContact O-CB 3.07Å; M492-V497 PolarHBondContact O-N 2.85Å; N493-V497 WeakPolarHBondContact CA-O 2.93Å; N493-V497 PolarHBondContact N-O 2.99Å; N493-V497 PolarHBondContact ND2-O 3.46Å; V497-K499 PolarHBondContact O-N 3.01Å; V497-P500 HydrophobicContact CG1-CB 4.01Å
498A82.1Confident91.1Very high80 Ų8039.4 Ų39.466%0.66124%0.24SC*.SBendtrans-64-39.1-172.900000114.3N493N493-A498 PolarHBondContact ND2-O 3.13Å
499K91.8Very high90.7Very high61 Ų6143 Ų4327%0.26526%0.257SS..SBendtrans-127.978.7179.5-166.3169.8-174.2169.90110.4V497 P533 D534 C536V497-K499 PolarHBondContact O-N 3.01Å; K499-P533 VanDerWaalsContact CE-O 3.28Å; K499-P533 WeakPolarHBondContact CE-O 2.99Å; K499-P533 PolarHBondContact NZ-O 3.45Å; K499-D534 IonicContact NZ-OD1 3.84Å; K499-C536 WeakPolarHBondContact CE-O 3.39Å
500P95.7Very high90.4Very high0 Ų050.6 Ų50.60%029%0.29CS..  trans-66.2152.9-17528.6-36.4000112.2I489 M492 V497 S535 C536 W537 D567 I568I489-P500 HydrophobicContact CB-CG 4.29Å; I489-P500 HydrophobicContact CG1-CG 3.86Å; I489-P500 HydrophobicContact CG2-CG 4.18Å; M492-P500 HydrophobicContact CB-CB 3.88Å; M492-P500 HydrophobicContact CB-CG 4.06Å; M492-P500 HydrophobicContact CG-CB 4.01Å; V497-P500 HydrophobicContact CG1-CB 4.01Å; P500-S535 WeakPolarHBondContact CD-O 3.34Å; P500-C536 HydrophobicContact CG-CB 4.3Å; P500-C536 CarbonylContact O-C 3.5Å; P500-C536 VanDerWaalsContact O-CA 3.29Å; P500-C536 WeakPolarHBondContact O-CA 3.2Å; P500-C536 WeakPolarHBondContact O-CB 3.06Å; P500-W537 PolarHBondContact O-N 2.99Å; P500-D567 WeakPolarHBondContact CA-OD2 3.44Å; P500-D567 HydrophobicContact CB-CB 3.92Å; P500-I568 HydrophobicContact CB-CD1 3.97Å; P500-I568 HydrophobicContact CB-CG1 4.41Å; P500-I568 HydrophobicContact CG-CD1 4.06Å
501K97.6Very high90.5Very high47 Ų4749.4 Ų49.420%0.20429%0.288CS..EExtended strand (participates in β ladder)trans-94.4115.7175.2-68.4158.4-176.8133.80110.2W537 P561 V562 D565 D567 I568K501-W537 CarbonylContact C-O 3.54Å; K501-W537 WeakPolarHBondContact CA-O 2.9Å; K501-W537 HydrophobicContact CG-CB 4Å; K501-W537 HydrophobicContact CG-CG 4.41Å; K501-P561 VanDerWaalsContact CD-O 3.24Å; K501-P561 WeakPolarHBondContact CD-O 3.16Å; K501-P561 VanDerWaalsContact CE-O 3.31Å; K501-P561 WeakPolarHBondContact CE-O 3.38Å; K501-V562 HydrophobicContact CB-CB 4.46Å; K501-V562 HydrophobicContact CB-CG1 4.37Å; K501-V562 HydrophobicContact CB-CG2 4.1Å; K501-D565 HydrophobicContact CD-CB 4.18Å; K501-D565 WeakPolarHBondContact CD-O 3.47Å; K501-D565 WeakPolarHBondContact CE-OD2 3.34Å; K501-D565 IonicContact NZ-OD2 2.8Å; K501-D565 PolarHBondContact NZ-OD2 3.23Å; K501-D567 WeakPolarHBondContact CB-OD2 3.25Å; K501-D567 PolarHBondContact N-OD2 3.26Å; K501-D567 PolarHBondContact O-N 3.49Å; K501-I568 PolarHBondContact O-N 2.94Å
502V97.9Very high90.4Very high0 Ų051.6 Ų51.60%030%0.3CS..EExtended strand (participates in β ladder)trans-106.1117.9-174.5-176.40000109.6I485 L504 C536 W537 I538 D539 I568 V570I485-V502 HydrophobicContact CG1-CG1 4.27Å; I485-V502 HydrophobicContact CG2-CG1 4.28Å; I485-V502 HydrophobicContact CG2-CG2 4.3Å; V502-L504 HydrophobicContact CG1-CD2 4.06Å; V502-C536 HydrophobicContact CG2-CB 3.92Å; V502-W537 PolarHBondContact N-O 3.48Å; V502-I538 HydrophobicContact CB-CB 4.28Å; V502-I538 HydrophobicContact CB-CD1 4.37Å; V502-I538 HydrophobicContact CB-CG1 4.04Å; V502-I538 HydrophobicContact CG1-CD1 4.15Å; V502-I538 HydrophobicContact CG1-CG1 4.16Å; V502-I538 WeakPolarHBondContact O-CA 3.43Å; V502-D539 PolarHBondContact O-N 3.08Å; V502-I568 WeakPolarHBondContact CA-O 3.42Å; V502-I568 HydrophobicContact CG1-CG2 4.42Å; V502-I568 HydrophobicContact CG2-CB 4.19Å; V502-I568 HydrophobicContact CG2-CD1 4.04Å; V502-V570 HydrophobicContact CG1-CG2 4.18Å
503G97.3Very high90.3Very high0 Ų057 Ų570%034%0.335CS..EExtended strand (participates in β ladder)trans-100.4117.2171.800000111.7L505 I568 V569 V570G503-L505 PolarHBondContact O-N 2.78Å; G503-I568 PolarHBondContact N-O 2.84Å; G503-V569 WeakPolarHBondContact O-CA 3.45Å; G503-V570 PolarHBondContact O-N 2.88Å
504L97.2Very high90.6Very high6 Ų663.1 Ų63.13%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-89.7103.6175.5-54.9177.2000109.8I485 V502 A506 A521 I524 M525 I538 D539 I542 V570I485-L504 HydrophobicContact CD1-CD2 3.74Å; I485-L504 HydrophobicContact CG1-CD2 4.32Å; V502-L504 HydrophobicContact CG1-CD2 4.06Å; L504-A506 PolarHBondContact O-N 3.39Å; L504-A521 HydrophobicContact CB-CB 3.74Å; L504-A521 HydrophobicContact CD1-CB 4.2Å; L504-A521 WeakPolarHBondContact CD1-O 3.43Å; L504-I524 HydrophobicContact CD1-CB 3.89Å; L504-I524 HydrophobicContact CD1-CG2 3.8Å; L504-M525 HydrophobicContact CD1-CB 4.39Å; L504-I538 HydrophobicContact CD1-CD1 3.93Å; L504-I538 HydrophobicContact CD1-CG1 4.06Å; L504-I538 HydrophobicContact CD2-CD1 4.31Å; L504-I538 HydrophobicContact CG-CD1 4.23Å; L504-I538 HydrophobicContact CG-CG1 4.17Å; L504-D539 PolarHBondContact N-O 3.49Å; L504-I542 PolarHBondContact O-N 3.34Å; L504-I542 VanDerWaalsContact O-N 3.09Å; L504-V570 HydrophobicContact CD2-CB 3.91Å; L504-V570 HydrophobicContact CD2-CG1 4.45Å; L504-V570 HydrophobicContact CD2-CG2 4.16Å
505L95.9Very high90.9Very high17 Ų1759.3 Ų59.39%0.08934%0.344CS..EExtended strand (participates in β ladder)trans-73127.1-169.4-57-178.8000112G503 I542 L544 V569 V570 M577 L580G503-L505 PolarHBondContact O-N 2.78Å; L505-I542 VanDerWaalsContact CA-O 3.26Å; L505-I542 WeakPolarHBondContact CA-O 3.32Å; L505-L544 HydrophobicContact CD1-CD1 3.93Å; L505-L544 HydrophobicContact CD2-CB 4.34Å; L505-L544 HydrophobicContact CD2-CD1 4.14Å; L505-V569 HydrophobicContact CD1-CB 4.12Å; L505-V569 HydrophobicContact CD2-CB 4.39Å; L505-V569 HydrophobicContact CD2-CG1 4.26Å; L505-V569 HydrophobicContact CG-CB 4.25Å; L505-V570 WeakPolarHBondContact CB-O 3.42Å; L505-V570 PolarHBondContact N-O 3.19Å; L505-M577 HydrophobicContact CD1-SD 4.35Å; L505-L580 HydrophobicContact CD1-CD2 4.31Å
506A93.4Very high91.1Very high11 Ų1160 Ų609%0.09135%0.352CS..  trans-141160.817000000111.1L504 A508 P541 I542L504-A506 PolarHBondContact O-N 3.39Å; A506-A508 PolarHBondContact O-N 2.82Å; A506-P541 HydrophobicContact CB-CB 3.6Å; A506-I542 PolarHBondContact N-O 3.33Å
507A86.9Confident91.6Very high90 Ų9058 Ų5874%0.74433%0.328SS*.SBendtrans-74.9-4.7179.800000114
508A85.6Confident91.9Very high16 Ų1655.9 Ų55.913%0.13232%0.315CS..  trans-133.7141.6177.600000109.2A506 K510 I515 P541A506-A508 PolarHBondContact O-N 2.82Å; A508-K510 VanDerWaalsContact C-N 3.27Å; A508-I515 HydrophobicContact CB-CD1 3.82Å; A508-P541 WeakPolarHBondContact O-CB 3.49Å
509E86.4Confident92.5Very high75 Ų7554.1 Ų54.135%0.3530%0.296SS..SBendtrans-86.70.8178.9-54.184.3169.400113.1P541 L546 K556 Y558E509-P541 CarbonylContact C-O 3.58Å; E509-P541 WeakPolarHBondContact CA-O 3.44Å; E509-L546 HydrophobicContact CB-CD1 4.34Å; E509-L546 HydrophobicContact CG-CD1 3.48Å; E509-L546 VanDerWaalsContact CG-CD1 3.48Å; E509-K556 IonicContact OE1-NZ 2.95Å; E509-Y558 HydrophobicContact CB-CE2 4.26Å
510K89Confident92.6Very high175 Ų17553.4 Ų53.476%0.76129%0.293SS*.SBendtrans-132.5144.8173.9-69.6-176178.9-179.80108.4A508 N512A508-K510 VanDerWaalsContact C-N 3.27Å; K510-N512 PolarHBondContact O-N 3.14Å; K510-N512 VanDerWaalsContact O-N 3.08Å
511V92.2Very high92.5Very high67 Ų6753.6 Ų53.641%0.40630%0.295SS..  trans-52.9119.6176.4-177.90000110V519 E522 P541V511-V519 HydrophobicContact CG1-CG2 4.11Å; V511-E522 HydrophobicContact CG2-CB 3.56Å; V511-E522 HydrophobicContact CG2-CG 3.66Å; V511-E522 WeakPolarHBondContact CG2-OE2 3.41Å; V511-P541 HydrophobicContact CG2-CG 4.26Å
512N91Very high92.4Very high57 Ų5753.8 Ų53.831%0.30530%0.297SS..  trans-119.9112.3174.4-176-17.4000107.7K510 K514 I515 S518K510-N512 PolarHBondContact O-N 3.14Å; K510-N512 VanDerWaalsContact O-N 3.08Å; N512-K514 PolarHBondContact O-N 2.87Å; N512-K514 WeakPolarHBondContact OD1-CB 3.38Å; N512-K514 PolarHBondContact OD1-N 3.4Å; N512-I515 HydrophobicContact CB-CB 4.28Å; N512-I515 HydrophobicContact CB-CD1 4.07Å; N512-I515 HydrophobicContact CB-CG1 4.15Å; N512-I515 PolarHBondContact O-N 3.44Å; N512-S518 PolarHBondContact N-OG 2.93Å; N512-S518 PolarHBondContact O-OG 2.83Å
513P91.6Very high92.3Very high117 Ų11757.5 Ų57.576%0.7631%0.314SS*.THydrogen-bonded Turntrans-56-15178.9-2734.9000114.8
514K92.2Very high92.3Very high190 Ų19057.6 Ų57.683%0.82632%0.315SS*.THydrogen-bonded Turntrans-87.9-8.9175.1-58.4-177.5179.5179.50114.2N512N512-K514 PolarHBondContact O-N 2.87Å; N512-K514 WeakPolarHBondContact OD1-CB 3.38Å; N512-K514 PolarHBondContact OD1-N 3.4Å
515I89.7Confident92.2Very high45 Ų4558.2 Ų58.223%0.23132%0.317CS..  trans-117.899.1180-58.1175.5000107.1A508 N512 S517 S518 V519A508-I515 HydrophobicContact CB-CD1 3.82Å; N512-I515 HydrophobicContact CB-CB 4.28Å; N512-I515 HydrophobicContact CB-CD1 4.07Å; N512-I515 HydrophobicContact CB-CG1 4.15Å; N512-I515 PolarHBondContact O-N 3.44Å; I515-S517 WeakPolarHBondContact CG2-OG 3.39Å; I515-S517 PolarHBondContact O-N 2.87Å; I515-S518 WeakPolarHBondContact O-CB 3.24Å; I515-S518 PolarHBondContact O-N 3.46Å; I515-S518 PolarHBondContact O-OG 3.1Å; I515-V519 PolarHBondContact O-N 3.17Å
516T90.7Very high92.2Very high97 Ų9761.7 Ų61.760%0.59533%0.333SS*.Hα-helixtrans-52.1-43.5-176.1-510000112.3S518 V519 E520T516-S518 PolarHBondContact O-N 3.02Å; T516-V519 PolarHBondContact O-N 2.89Å; T516-V519 VanDerWaalsContact O-N 3.14Å; T516-E520 HydrophobicContact CG2-CG 4.24Å; T516-E520 WeakPolarHBondContact CG2-OE1 3.29Å; T516-E520 WeakPolarHBondContact O-CG 3.19Å; T516-E520 PolarHBondContact O-N 3.07Å
517S91.6Very high92.3Very high23 Ų2363.1 Ų63.116%0.16134%0.338CS..Hα-helixtrans-61.8-29.2178.757.10000113.6I515 A521I515-S517 WeakPolarHBondContact CG2-OG 3.39Å; I515-S517 PolarHBondContact O-N 2.87Å; S517-A521 WeakPolarHBondContact O-CB 3.16Å; S517-A521 PolarHBondContact O-N 2.8Å
518S94Very high92.6Very high0 Ų059.3 Ų59.30%031%0.305CS..Hα-helixtrans-75.7-32.4177.675.90000113.1N512 I515 T516 E522N512-S518 PolarHBondContact N-OG 2.93Å; N512-S518 PolarHBondContact O-OG 2.83Å; I515-S518 WeakPolarHBondContact O-CB 3.24Å; I515-S518 PolarHBondContact O-N 3.46Å; I515-S518 PolarHBondContact O-OG 3.1Å; T516-S518 PolarHBondContact O-N 3.02Å; S518-E522 PolarHBondContact O-N 3.36Å
519V94.5Very high92.9Very high43 Ų4363 Ų6326%0.26132%0.319SS..Hα-helixtrans-73.9-47.4175.7179.90000109.7V511 I515 T516 A521 E522 E523V511-V519 HydrophobicContact CG1-CG2 4.11Å; I515-V519 PolarHBondContact O-N 3.17Å; T516-V519 PolarHBondContact O-N 2.89Å; T516-V519 VanDerWaalsContact O-N 3.14Å; V519-A521 VanDerWaalsContact C-N 3.33Å; V519-A521 PolarHBondContact O-N 3.29Å; V519-E522 PolarHBondContact O-N 3.42Å; V519-E523 WeakPolarHBondContact O-CG 3.44Å; V519-E523 PolarHBondContact O-N 2.89Å
520E93.9Very high93.2Very high45 Ų4565.9 Ų65.921%0.2134%0.337CS..Hα-helixtrans-61.9-40.2177.9-70.517717700112.2K481 T516 E522 E523 I524K481-E520 IonicContact NZ-OE2 2.95Å; K481-E520 PolarHBondContact NZ-OE2 3.34Å; T516-E520 HydrophobicContact CG2-CG 4.24Å; T516-E520 WeakPolarHBondContact CG2-OE1 3.29Å; T516-E520 WeakPolarHBondContact O-CG 3.19Å; T516-E520 PolarHBondContact O-N 3.07Å; E520-E522 PolarHBondContact O-N 3.2Å; E520-E523 PolarHBondContact O-N 3.07Å; E520-I524 WeakPolarHBondContact O-CB 3.4Å; E520-I524 WeakPolarHBondContact O-CD1 3.47Å; E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 3.19Å
521A95.1Very high93.2Very high5 Ų563.7 Ų63.74%0.04133%0.33CS..Hα-helixtrans-60.6-45177.700000112.1L504 S517 V519 M525 P541L504-A521 HydrophobicContact CB-CB 3.74Å; L504-A521 HydrophobicContact CD1-CB 4.2Å; L504-A521 WeakPolarHBondContact CD1-O 3.43Å; S517-A521 WeakPolarHBondContact O-CB 3.16Å; S517-A521 PolarHBondContact O-N 2.8Å; V519-A521 VanDerWaalsContact C-N 3.33Å; V519-A521 PolarHBondContact O-N 3.29Å; A521-M525 VanDerWaalsContact O-CB 3.31Å; A521-M525 WeakPolarHBondContact O-CB 3.42Å; A521-M525 PolarHBondContact O-N 2.92Å; A521-P541 HydrophobicContact CB-CB 4Å
522E95.1Very high92.9Very high51 Ų5162.1 Ų62.124%0.23832%0.323CS..Hα-helixtrans-63.1-46.5176.6-178.575-151.300111.6V511 S518 V519 E520 I524 M525 Q526V511-E522 HydrophobicContact CG2-CB 3.56Å; V511-E522 HydrophobicContact CG2-CG 3.66Å; V511-E522 WeakPolarHBondContact CG2-OE2 3.41Å; S518-E522 PolarHBondContact O-N 3.36Å; V519-E522 PolarHBondContact O-N 3.42Å; E520-E522 PolarHBondContact O-N 3.2Å; E522-I524 PolarHBondContact O-N 3.11Å; E522-M525 PolarHBondContact O-N 2.74Å; E522-M525 VanDerWaalsContact OE1-CE 3.3Å; E522-M525 WeakPolarHBondContact OE1-CE 3.36Å; E522-Q526 WeakPolarHBondContact O-CG 3.33Å; E522-Q526 PolarHBondContact O-N 2.87Å; E522-Q526 PolarHBondContact OE1-NE2 3.5Å
523E96Very high92.6Very high78 Ų7862.6 Ų62.636%0.36433%0.329SS..Hα-helixtrans-61.1-45.7179.2-71.9-178.1-168.400111.7K478 V519 E520 Q526 E527K478-E523 HydrophobicContact CD-CB 4.01Å; K478-E523 WeakPolarHBondContact CD-OE2 3.43Å; K478-E523 IonicContact NZ-OE2 2.68Å; K478-E523 PolarHBondContact NZ-OE2 3.42Å; V519-E523 WeakPolarHBondContact O-CG 3.44Å; V519-E523 PolarHBondContact O-N 2.89Å; E520-E523 PolarHBondContact O-N 3.07Å; E523-Q526 PolarHBondContact O-N 2.67Å; E523-E527 WeakPolarHBondContact O-CB 3.31Å; E523-E527 WeakPolarHBondContact O-CG 3.37Å; E523-E527 PolarHBondContact O-N 2.68Å
524I96.2Very high92.4Very high2 Ų263.2 Ų63.21%0.0133%0.327CS..Hα-helixtrans-63-43.8177.7-67.6165.9000110.7K478 K481 K482 I485 L504 E520 E522 E527 F528 I538K478-I524 HydrophobicContact CD-CG1 4.16Å; K478-I524 HydrophobicContact CG-CD1 3.98Å; K478-I524 HydrophobicContact CG-CG1 3.57Å; K481-I524 HydrophobicContact CB-CD1 3.7Å; K481-I524 HydrophobicContact CD-CD1 3.97Å; K481-I524 HydrophobicContact CG-CD1 4.47Å; K482-I524 HydrophobicContact CG-CG2 4.49Å; I485-I524 HydrophobicContact CD1-CG2 3.48Å; I485-I524 VanDerWaalsContact CD1-CG2 3.48Å; L504-I524 HydrophobicContact CD1-CB 3.89Å; L504-I524 HydrophobicContact CD1-CG2 3.8Å; E520-I524 WeakPolarHBondContact O-CB 3.4Å; E520-I524 WeakPolarHBondContact O-CD1 3.47Å; E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 3.19Å; E522-I524 PolarHBondContact O-N 3.11Å; I524-E527 PolarHBondContact O-N 2.84Å; I524-F528 HydrophobicContact CG2-CD2 3.87Å; I524-F528 HydrophobicContact CG2-CE2 4.12Å; I524-F528 PolarHBondContact O-N 3.22Å; I524-I538 HydrophobicContact CG2-CD1 4.22Å
525M95.6Very high92.2Very high18 Ų1855.8 Ų55.89%0.08930%0.298CS..Hα-helixtrans-57.7-50.1177.4179.9-168.959.500110.7L504 A521 E522 E527 F528 Q529 I538L504-M525 HydrophobicContact CD1-CB 4.39Å; A521-M525 VanDerWaalsContact O-CB 3.31Å; A521-M525 WeakPolarHBondContact O-CB 3.42Å; A521-M525 PolarHBondContact O-N 2.92Å; E522-M525 PolarHBondContact O-N 2.74Å; E522-M525 VanDerWaalsContact OE1-CE 3.3Å; E522-M525 WeakPolarHBondContact OE1-CE 3.36Å; M525-E527 PolarHBondContact O-N 3.16Å; M525-F528 PolarHBondContact O-N 2.68Å; M525-Q529 WeakPolarHBondContact O-CB 3.42Å; M525-Q529 VanDerWaalsContact O-CG 3.26Å; M525-Q529 WeakPolarHBondContact O-CG 3.48Å; M525-Q529 PolarHBondContact O-N 2.83Å; M525-I538 HydrophobicContact CG-CG2 4.02Å
526Q95.5Very high92.4Very high91 Ų9154 Ų5443%0.42529%0.29SS..Hα-helixtrans-62.8-41.5179.2-70.2177.5700111.9E522 E523 Q529 N530E522-Q526 WeakPolarHBondContact O-CG 3.33Å; E522-Q526 PolarHBondContact O-N 2.87Å; E522-Q526 PolarHBondContact OE1-NE2 3.5Å; E523-Q526 PolarHBondContact O-N 2.67Å; Q526-Q529 PolarHBondContact O-N 2.99Å; Q526-N530 WeakPolarHBondContact O-CB 3.1Å; Q526-N530 VanDerWaalsContact O-CG 3.23Å; Q526-N530 PolarHBondContact O-N 3.31Å; Q526-N530 VanDerWaalsContact O-N 3.08Å; Q526-N530 PolarHBondContact O-ND2 3.39Å
527E95.4Very high92.7Very high40 Ų4055.1 Ų55.119%0.18728%0.283CS..Hα-helixtrans-62.4-47.9176.4-74.5176.9-152.800111.5K478 K482 E523 I524 M525 Q529 N530 E531K478-E527 WeakPolarHBondContact CE-OE1 3.31Å; K478-E527 IonicContact NZ-OE1 2.92Å; K478-E527 PolarHBondContact NZ-OE1 3.38Å; K482-E527 WeakPolarHBondContact CD-OE2 3.44Å; K482-E527 WeakPolarHBondContact CE-OE2 3.49Å; K482-E527 IonicContact NZ-OE2 3.84Å; K482-E527 PolarHBondContact NZ-OE2 3.19Å; E523-E527 WeakPolarHBondContact O-CB 3.31Å; E523-E527 WeakPolarHBondContact O-CG 3.37Å; E523-E527 PolarHBondContact O-N 2.68Å; I524-E527 PolarHBondContact O-N 2.84Å; M525-E527 PolarHBondContact O-N 3.16Å; E527-Q529 PolarHBondContact O-N 3.42Å; E527-N530 PolarHBondContact O-N 3.42Å; E527-E531 VanDerWaalsContact O-CB 3.24Å; E527-E531 WeakPolarHBondContact O-CB 3.46Å; E527-E531 VanDerWaalsContact O-CG 3.29Å; E527-E531 WeakPolarHBondContact O-CG 3.09Å; E527-E531 PolarHBondContact O-N 2.91Å
528F93.7Very high92.9Very high10 Ų1054.6 Ų54.64%0.04428%0.278CS..Hα-helixtrans-64.7-38.1177.7-95.1-97000113.2K482 I485 Q486 I489 I524 M525 N530 A532 I538K482-F528 HydrophobicContact CB-CE2 4.01Å; K482-F528 HydrophobicContact CG-CE2 3.96Å; I485-F528 HydrophobicContact CB-CE2 4.29Å; I485-F528 HydrophobicContact CB-CZ 3.84Å; I485-F528 HydrophobicContact CD1-CE2 3.94Å; I485-F528 HydrophobicContact CD1-CZ 4.36Å; I485-F528 HydrophobicContact CG2-CD1 4.47Å; I485-F528 HydrophobicContact CG2-CE1 3.7Å; I485-F528 HydrophobicContact CG2-CE2 4.14Å; I485-F528 HydrophobicContact CG2-CZ 3.51Å; Q486-F528 HydrophobicContact CG-CZ 4.15Å; I489-F528 HydrophobicContact CD1-CE1 4.08Å; I524-F528 HydrophobicContact CG2-CD2 3.87Å; I524-F528 HydrophobicContact CG2-CE2 4.12Å; I524-F528 PolarHBondContact O-N 3.22Å; M525-F528 PolarHBondContact O-N 2.68Å; F528-N530 VanDerWaalsContact C-N 3.25Å; F528-N530 PolarHBondContact O-N 3.41Å; F528-A532 CarbonylContact O-C 3.57Å; F528-A532 WeakPolarHBondContact O-CA 3.44Å; F528-A532 PolarHBondContact O-N 3.21Å; F528-I538 HydrophobicContact CB-CD1 4.1Å; F528-I538 HydrophobicContact CB-CG2 3.97Å; F528-I538 HydrophobicContact CD2-CD1 4.23Å; F528-I538 HydrophobicContact CG-CD1 4.11Å
529Q92.3Very high93Very high95 Ų9555.5 Ų55.544%0.44428%0.283SS..Hα-helixtrans-65.4-29.7175.9-73.4174-2.400112.4M525 Q526 E527 P533 I538M525-Q529 WeakPolarHBondContact O-CB 3.42Å; M525-Q529 VanDerWaalsContact O-CG 3.26Å; M525-Q529 WeakPolarHBondContact O-CG 3.48Å; M525-Q529 PolarHBondContact O-N 2.83Å; Q526-Q529 PolarHBondContact O-N 2.99Å; E527-Q529 PolarHBondContact O-N 3.42Å; Q529-P533 WeakPolarHBondContact O-CB 3.27Å; Q529-I538 HydrophobicContact CG-CG2 4.01Å
530N92.1Very high92.9Very high134 Ų13453.5 Ų53.572%0.71727%0.271SS*.Hα-helixtrans-87.3-42.6177.7-70.3-36.8000112.9Q526 E527 F528Q526-N530 WeakPolarHBondContact O-CB 3.1Å; Q526-N530 VanDerWaalsContact O-CG 3.23Å; Q526-N530 PolarHBondContact O-N 3.31Å; Q526-N530 VanDerWaalsContact O-N 3.08Å; Q526-N530 PolarHBondContact O-ND2 3.39Å; E527-N530 PolarHBondContact O-N 3.42Å; F528-N530 VanDerWaalsContact C-N 3.25Å; F528-N530 PolarHBondContact O-N 3.41Å
531E89.8Confident93Very high130 Ų13051.6 Ų51.661%0.60726%0.263SS*.Hα-helixtrans-86.1-33.5-172.3-66175.7-179.400112.5K482 E527K482-E531 IonicContact NZ-OE1 3.54Å; K482-E531 IonicContact NZ-OE2 3.91Å; K482-E531 PolarHBondContact NZ-OE2 2.92Å; E527-E531 VanDerWaalsContact O-CB 3.24Å; E527-E531 WeakPolarHBondContact O-CB 3.46Å; E527-E531 VanDerWaalsContact O-CG 3.29Å; E527-E531 WeakPolarHBondContact O-CG 3.09Å; E527-E531 PolarHBondContact O-N 2.91Å
532A84.5Confident93Very high33 Ų3351.3 Ų51.327%0.27326%0.261SS..  trans-149.255.7-172.800000113.3F528 D534 S535F528-A532 CarbonylContact O-C 3.57Å; F528-A532 WeakPolarHBondContact O-CA 3.44Å; F528-A532 PolarHBondContact O-N 3.21Å; A532-D534 PolarHBondContact O-N 2.97Å; A532-S535 WeakPolarHBondContact CB-OG 3.43Å; A532-S535 WeakPolarHBondContact O-CB 3.44Å; A532-S535 PolarHBondContact O-N 3.11Å; A532-S535 PolarHBondContact O-OG 3.33Å
533P86.2Confident93Very high67 Ų6749.5 Ų49.544%0.43525%0.253SS..THydrogen-bonded Turntrans-58.8-22.8-174.122.2-33.8000114.7K499 Q529K499-P533 VanDerWaalsContact CE-O 3.28Å; K499-P533 WeakPolarHBondContact CE-O 2.99Å; K499-P533 PolarHBondContact NZ-O 3.45Å; Q529-P533 WeakPolarHBondContact O-CB 3.27Å
534D87.4Confident92.9Very high131 Ų13148.9 Ų48.970%0.70125%0.252SS*.THydrogen-bonded Turntrans-93.1-10.6-179.1-66.1-41.8000113.9K499 A532K499-D534 IonicContact NZ-OD1 3.84Å; A532-D534 PolarHBondContact O-N 2.97Å
535S87Confident92.8Very high33 Ų3351.8 Ų51.823%0.23127%0.268CS..THydrogen-bonded Turntrans-71.1-37.9-178.266.40000113.4P500 A532P500-S535 WeakPolarHBondContact CD-O 3.34Å; A532-S535 WeakPolarHBondContact CB-OG 3.43Å; A532-S535 WeakPolarHBondContact O-CB 3.44Å; A532-S535 PolarHBondContact O-N 3.11Å; A532-S535 PolarHBondContact O-OG 3.33Å
536C94.4Very high92.8Very high7 Ų751 Ų515%0.04726%0.264CS..  trans-159.3166.3-175.760.40000111.4I489 K499 P500 V502I489-C536 HydrophobicContact CD1-CB 3.85Å; I489-C536 HydrophobicContact CG1-CB 4.3Å; K499-C536 WeakPolarHBondContact CE-O 3.39Å; P500-C536 HydrophobicContact CG-CB 4.3Å; P500-C536 CarbonylContact O-C 3.5Å; P500-C536 VanDerWaalsContact O-CA 3.29Å; P500-C536 WeakPolarHBondContact O-CA 3.2Å; P500-C536 WeakPolarHBondContact O-CB 3.06Å; V502-C536 HydrophobicContact CG2-CB 3.92Å
537W96.3Very high92.8Very high122 Ų12246.7 Ų46.746%0.46224%0.244SC..EExtended strand (participates in β ladder)trans-92.6126.8155.9-63.798.9000107.1P500 K501 V502 P561 V562P500-W537 PolarHBondContact O-N 2.99Å; K501-W537 CarbonylContact C-O 3.54Å; K501-W537 WeakPolarHBondContact CA-O 2.9Å; K501-W537 HydrophobicContact CG-CB 4Å; K501-W537 HydrophobicContact CG-CG 4.41Å; V502-W537 PolarHBondContact N-O 3.48Å; W537-P561 HydrophobicContact CB-CB 4.3Å; W537-P561 HydrophobicContact CD2-CB 4.09Å; W537-P561 HydrophobicContact CD2-CG 4.3Å; W537-P561 HydrophobicContact CE3-CB 4.14Å; W537-P561 HydrophobicContact CE3-CG 3.84Å; W537-P561 HydrophobicContact CG-CB 4.17Å; W537-P561 HydrophobicContact CZ3-CG 4.24Å; W537-V562 HydrophobicContact CB-CG2 4.27Å
538I96.7Very high92.7Very high12 Ų1246.4 Ų46.46%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-128.9135.5-177-171162.6000110.1I485 V502 L504 I524 M525 F528 Q529I485-I538 HydrophobicContact CD1-CD1 4.18Å; V502-I538 HydrophobicContact CB-CB 4.28Å; V502-I538 HydrophobicContact CB-CD1 4.37Å; V502-I538 HydrophobicContact CB-CG1 4.04Å; V502-I538 HydrophobicContact CG1-CD1 4.15Å; V502-I538 HydrophobicContact CG1-CG1 4.16Å; V502-I538 WeakPolarHBondContact O-CA 3.43Å; L504-I538 HydrophobicContact CD1-CD1 3.93Å; L504-I538 HydrophobicContact CD1-CG1 4.06Å; L504-I538 HydrophobicContact CD2-CD1 4.31Å; L504-I538 HydrophobicContact CG-CD1 4.23Å; L504-I538 HydrophobicContact CG-CG1 4.17Å; I524-I538 HydrophobicContact CG2-CD1 4.22Å; M525-I538 HydrophobicContact CG-CG2 4.02Å; F528-I538 HydrophobicContact CB-CD1 4.1Å; F528-I538 HydrophobicContact CB-CG2 3.97Å; F528-I538 HydrophobicContact CD2-CD1 4.23Å; F528-I538 HydrophobicContact CG-CD1 4.11Å; Q529-I538 HydrophobicContact CG-CG2 4.01Å
539D95.7Very high92.7Very high19 Ų1947.9 Ų47.910%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-142.7139.9178.5-168.511.1000110.7V502 L504 Y558 S560 V562V502-D539 PolarHBondContact O-N 3.08Å; L504-D539 PolarHBondContact N-O 3.49Å; D539-Y558 PolarHBondContact OD1-OH 3.08Å; D539-Y558 VanDerWaalsContact OD2-CE1 3.27Å; D539-Y558 WeakPolarHBondContact OD2-CE1 3.23Å; D539-Y558 PolarHBondContact OD2-OH 3.01Å; D539-S560 WeakPolarHBondContact CB-OG 3.46Å; D539-S560 VanDerWaalsContact CG-OG 3.31Å; D539-S560 WeakPolarHBondContact OD2-CB 3.38Å; D539-S560 PolarHBondContact OD2-OG 3.27Å; D539-V562 HydrophobicContact CB-CB 3.92Å; D539-V562 HydrophobicContact CB-CG2 3.74Å
540G92.8Very high92.7Very high1 Ų149.2 Ų49.21%0.0126%0.259CS..EExtended strand (participates in β ladder)trans174.7138.5-168.900000110.9
541P95.4Very high92.8Very high4 Ų447 Ų473%0.02625%0.245CC..EExtended strand (participates in β ladder)cis-78.4126.33.831.7-36000113.3A506 A508 E509 V511 A521A506-P541 HydrophobicContact CB-CB 3.6Å; A508-P541 WeakPolarHBondContact O-CB 3.49Å; E509-P541 CarbonylContact C-O 3.58Å; E509-P541 WeakPolarHBondContact CA-O 3.44Å; V511-P541 HydrophobicContact CG2-CG 4.26Å; A521-P541 HydrophobicContact CB-CB 4Å
542I95.5Very high93Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-125.6144.9179.2-167.3170.7000110.4L504 L505 A506 L546 Y558L504-I542 PolarHBondContact O-N 3.34Å; L504-I542 VanDerWaalsContact O-N 3.09Å; L505-I542 VanDerWaalsContact CA-O 3.26Å; L505-I542 WeakPolarHBondContact CA-O 3.32Å; A506-I542 PolarHBondContact N-O 3.33Å; I542-L546 HydrophobicContact CD1-CB 4.05Å; I542-L546 HydrophobicContact CG1-CB 3.7Å; I542-Y558 HydrophobicContact CD1-CE1 3.87Å; I542-Y558 HydrophobicContact CG1-CE1 4.26Å
543S94.9Very high93.3Very high12 Ų1241.4 Ų41.48%0.08422%0.217CC..  trans-83.7158174.962.80000111.6D545 L546 S547S543-D545 VanDerWaalsContact C-N 3.34Å; S543-D545 WeakPolarHBondContact CB-OD1 3.2Å; S543-D545 PolarHBondContact O-N 2.85Å; S543-D545 PolarHBondContact OG-OD1 3.45Å; S543-L546 PolarHBondContact O-N 2.86Å; S543-L546 WeakPolarHBondContact OG-CB 3.19Å; S543-L546 WeakPolarHBondContact OG-CD1 3.13Å; S543-L546 WeakPolarHBondContact OG-CG 3.34Å; S543-S547 PolarHBondContact O-N 3.37Å; S543-S547 PolarHBondContact O-OG 2.81Å
544L93.9Very high93.7Very high66 Ų6646.3 Ų46.335%0.34623%0.226SC..Hα-helixtrans-62-38.6-177.4-175.669.9000113.1L505 L546 S547 L548 L580L505-L544 HydrophobicContact CD1-CD1 3.93Å; L505-L544 HydrophobicContact CD2-CB 4.34Å; L505-L544 HydrophobicContact CD2-CD1 4.14Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L544-S547 PolarHBondContact O-N 2.63Å; L544-S547 PolarHBondContact O-OG 3.31Å; L544-S547 VanDerWaalsContact O-OG 3.05Å; L544-L548 HydrophobicContact CD1-CD1 3.55Å; L544-L548 HydrophobicContact CD1-CG 4.1Å; L544-L548 HydrophobicContact CG-CD1 4.02Å; L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 WeakPolarHBondContact O-CG 3.21Å; L544-L548 PolarHBondContact O-N 3.43Å; L544-L548 VanDerWaalsContact O-N 3.11Å; L544-L580 HydrophobicContact CD1-CD1 4.34Å; L544-L580 HydrophobicContact CD1-CD2 4.12Å; L544-L580 HydrophobicContact CD2-CD1 3.7Å
545D93.3Very high93.9Very high63 Ų6345.3 Ų45.334%0.33722%0.22SC..Hα-helixtrans-65.1-38.6176.859.9-32.3000111.7S543 S549 V552 K556S543-D545 VanDerWaalsContact C-N 3.34Å; S543-D545 WeakPolarHBondContact CB-OD1 3.2Å; S543-D545 PolarHBondContact O-N 2.85Å; S543-D545 PolarHBondContact OG-OD1 3.45Å; D545-S549 WeakPolarHBondContact O-CA 3.43Å; D545-S549 VanDerWaalsContact O-CB 3.25Å; D545-S549 WeakPolarHBondContact O-CB 3.29Å; D545-S549 PolarHBondContact O-N 2.9Å; D545-V552 HydrophobicContact CB-CG1 4.13Å; D545-V552 WeakPolarHBondContact OD2-CG1 3.48Å; D545-K556 IonicContact OD1-NZ 2.87Å; D545-K556 IonicContact OD2-NZ 2.73Å; D545-K556 PolarHBondContact OD2-NZ 2.86Å
546L95.4Very high94.2Very high1 Ų148.3 Ų48.31%0.00523%0.229CC..Hα-helixtrans-71.7-35.4175.5-76.7179.1000113.1E509 I542 S543 L544 V552 A553 K556 Y558 A563 G564E509-L546 HydrophobicContact CB-CD1 4.34Å; E509-L546 HydrophobicContact CG-CD1 3.48Å; E509-L546 VanDerWaalsContact CG-CD1 3.48Å; I542-L546 HydrophobicContact CD1-CB 4.05Å; I542-L546 HydrophobicContact CG1-CB 3.7Å; S543-L546 PolarHBondContact O-N 2.86Å; S543-L546 WeakPolarHBondContact OG-CB 3.19Å; S543-L546 WeakPolarHBondContact OG-CD1 3.13Å; S543-L546 WeakPolarHBondContact OG-CG 3.34Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L546-V552 HydrophobicContact CD2-CG1 4.17Å; L546-A553 HydrophobicContact CD2-CB 4.12Å; L546-K556 HydrophobicContact CD1-CD 4.35Å; L546-K556 HydrophobicContact CD2-CB 4.1Å; L546-K556 HydrophobicContact CD2-CD 3.78Å; L546-K556 HydrophobicContact CD2-CG 4.47Å; L546-K556 HydrophobicContact CG-CD 4.13Å; L546-Y558 HydrophobicContact CD1-CD1 4.38Å; L546-Y558 HydrophobicContact CD1-CD2 3.65Å; L546-Y558 HydrophobicContact CD1-CE2 4.08Å; L546-Y558 HydrophobicContact CD1-CG 3.82Å; L546-Y558 HydrophobicContact CD2-CG 4.14Å; L546-A563 CarbonylContact O-C 3.54Å; L546-A563 WeakPolarHBondContact O-CA 3.38Å; L546-G564 PolarHBondContact O-N 3.27Å
547S95.3Very high94.1Very high0 Ų056.1 Ų56.10%026%0.264CS..Hα-helixtrans-74.1-28.3179.366.10000112.9S543 L544 G564 D565 A566S543-S547 PolarHBondContact O-N 3.37Å; S543-S547 PolarHBondContact O-OG 2.81Å; L544-S547 PolarHBondContact O-N 2.63Å; L544-S547 PolarHBondContact O-OG 3.31Å; L544-S547 VanDerWaalsContact O-OG 3.05Å; S547-G564 CarbonylContact O-C 3.37Å; S547-G564 WeakPolarHBondContact O-CA 3.35Å; S547-G564 PolarHBondContact O-N 2.9Å; S547-D565 PolarHBondContact O-N 3.18Å; S547-D565 VanDerWaalsContact O-N 3.16Å; S547-A566 WeakPolarHBondContact O-CB 3.44Å; S547-A566 PolarHBondContact O-N 2.63Å; S547-A566 VanDerWaalsContact O-N 3.16Å
548L94.6Very high93.9Very high35 Ų3552.8 Ų52.818%0.18325%0.252CS..Hα-helixtrans-111.7-16.9-173.7-57.7-175.7000115.5Y461 L465 L544 A566 V569Y461-L548 HydrophobicContact CE1-CD2 4.28Å; Y461-L548 HydrophobicContact CE2-CB 4.17Å; Y461-L548 HydrophobicContact CE2-CD2 4.05Å; Y461-L548 VanDerWaalsContact CE2-O 3.29Å; Y461-L548 WeakPolarHBondContact CE2-O 3.33Å; L465-L548 HydrophobicContact CD1-CD2 3.72Å; L465-L548 HydrophobicContact CD2-CD1 3.86Å; L465-L548 HydrophobicContact CD2-CD2 3.77Å; L465-L548 HydrophobicContact CG-CD2 4.4Å; L544-L548 HydrophobicContact CD1-CD1 3.55Å; L544-L548 HydrophobicContact CD1-CG 4.1Å; L544-L548 HydrophobicContact CG-CD1 4.02Å; L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 WeakPolarHBondContact O-CG 3.21Å; L544-L548 PolarHBondContact O-N 3.43Å; L544-L548 VanDerWaalsContact O-N 3.11Å; L548-A566 HydrophobicContact CD2-CB 4.19Å; L548-V569 HydrophobicContact CD2-CG1 4.29Å
549S94.3Very high93.6Very high40 Ų4061.4 Ų61.428%0.2829%0.292SS..  trans-116.9109.2179.5-177.70000113D545 E551 V552 A553D545-S549 WeakPolarHBondContact O-CA 3.43Å; D545-S549 VanDerWaalsContact O-CB 3.25Å; D545-S549 WeakPolarHBondContact O-CB 3.29Å; D545-S549 PolarHBondContact O-N 2.9Å; S549-E551 PolarHBondContact O-N 3.08Å; S549-E551 PolarHBondContact OG-N 3.18Å; S549-V552 PolarHBondContact O-N 3.5Å; S549-V552 PolarHBondContact OG-N 3.49Å; S549-A553 PolarHBondContact O-N 2.82Å
550K92.3Very high93.4Very high123 Ų12361.8 Ų61.854%0.53530%0.296SS..Hα-helixtrans-57.3-33171.4-68.1-173.5178.6173.20111.9R554 G564K550-R554 WeakPolarHBondContact O-CB 3.31Å; K550-R554 PolarHBondContact O-N 2.87Å; K550-G564 WeakPolarHBondContact CE-O 3.49Å; K550-G564 VanDerWaalsContact CG-O 3.27Å; K550-G564 WeakPolarHBondContact CG-O 3.39Å
551E93.4Very high93.4Very high89 Ų8965.1 Ų65.142%0.41632%0.317SS..Hα-helixtrans-68.9-44.4179.1-179.460.1-179.400111.8S549 R554 I555S549-E551 PolarHBondContact O-N 3.08Å; S549-E551 PolarHBondContact OG-N 3.18Å; E551-R554 PolarHBondContact O-N 2.86Å; E551-R554 IonicContact OE1-CZ 2.7Å; E551-R554 IonicContact OE1-NH2 3.56Å; E551-R554 PolarHBondContact OE1-NH2 3.4Å; E551-R554 IonicContact OE2-CZ 3.6Å; E551-R554 IonicContact OE2-NE 2.61Å; E551-R554 PolarHBondContact OE2-NE 2.9Å; E551-R554 IonicContact OE2-NH2 3.79Å; E551-R554 PolarHBondContact OE2-NH2 3.29Å; E551-I555 HydrophobicContact CG-CD1 3.94Å; E551-I555 VanDerWaalsContact O-CG1 3.28Å; E551-I555 WeakPolarHBondContact O-CG1 3.39Å; E551-I555 PolarHBondContact O-N 3.03Å
552V92.9Very high93.4Very high38 Ų3865 Ų6523%0.2332%0.316CS..Hα-helixtrans-66.6-41.1177.5178.60000111D545 L546 S549 R554 I555 K556D545-V552 HydrophobicContact CB-CG1 4.13Å; D545-V552 WeakPolarHBondContact OD2-CG1 3.48Å; L546-V552 HydrophobicContact CD2-CG1 4.17Å; S549-V552 PolarHBondContact O-N 3.5Å; S549-V552 PolarHBondContact OG-N 3.49Å; V552-R554 VanDerWaalsContact C-N 3.32Å; V552-R554 PolarHBondContact O-N 3.41Å; V552-I555 PolarHBondContact O-N 3.3Å; V552-K556 HydrophobicContact CG1-CD 3.92Å; V552-K556 HydrophobicContact CG1-CG 4.35Å; V552-K556 WeakPolarHBondContact O-CB 3.42Å; V552-K556 PolarHBondContact O-N 3.47Å
553A92.1Very high93.4Very high7 Ų765.7 Ų65.76%0.05832%0.322CS..Hα-helixtrans-58.6-43.3174.500000112.3L546 S549 K556 H557 Y558 A563L546-A553 HydrophobicContact CD2-CB 4.12Å; S549-A553 PolarHBondContact O-N 2.82Å; A553-K556 PolarHBondContact O-N 2.8Å; A553-H557 PolarHBondContact O-N 3.14Å; A553-Y558 PolarHBondContact O-N 3.47Å; A553-A563 HydrophobicContact CB-CB 3.83Å
554R93.2Very high93.4Very high169 Ų16965.1 Ų65.164%0.63832%0.319SS*.Hα-helixtrans-62.8-45175.2-174178.570.3140.95.4112.2K550 E551 V552 H557K550-R554 WeakPolarHBondContact O-CB 3.31Å; K550-R554 PolarHBondContact O-N 2.87Å; E551-R554 PolarHBondContact O-N 2.86Å; E551-R554 IonicContact OE1-CZ 2.7Å; E551-R554 IonicContact OE1-NH2 3.56Å; E551-R554 PolarHBondContact OE1-NH2 3.4Å; E551-R554 IonicContact OE2-CZ 3.6Å; E551-R554 IonicContact OE2-NE 2.61Å; E551-R554 PolarHBondContact OE2-NE 2.9Å; E551-R554 IonicContact OE2-NH2 3.79Å; E551-R554 PolarHBondContact OE2-NH2 3.29Å; V552-R554 VanDerWaalsContact C-N 3.32Å; V552-R554 PolarHBondContact O-N 3.41Å; R554-H557 PolarHBondContact O-N 2.92Å
555I93.4Very high93.5Very high111 Ų11163.3 Ų63.357%0.56931%0.31SS*.Hα-helixtrans-64.9-40179.1-69.3166.4000111.4E551 V552 H557E551-I555 HydrophobicContact CG-CD1 3.94Å; E551-I555 VanDerWaalsContact O-CG1 3.28Å; E551-I555 WeakPolarHBondContact O-CG1 3.39Å; E551-I555 PolarHBondContact O-N 3.03Å; V552-I555 PolarHBondContact O-N 3.3Å; I555-H557 VanDerWaalsContact C-N 3.31Å
556K92.1Very high93.7Very high95 Ų9560.3 Ų60.341%0.41329%0.293SS..THydrogen-bonded Turntrans-84.7-0.2-179.5-72.2-178.3171.7176.60113.7E509 D545 L546 V552 A553 Y558E509-K556 IonicContact OE1-NZ 2.95Å; D545-K556 IonicContact OD1-NZ 2.87Å; D545-K556 IonicContact OD2-NZ 2.73Å; D545-K556 PolarHBondContact OD2-NZ 2.86Å; L546-K556 HydrophobicContact CD1-CD 4.35Å; L546-K556 HydrophobicContact CD2-CB 4.1Å; L546-K556 HydrophobicContact CD2-CD 3.78Å; L546-K556 HydrophobicContact CD2-CG 4.47Å; L546-K556 HydrophobicContact CG-CD 4.13Å; V552-K556 HydrophobicContact CG1-CD 3.92Å; V552-K556 HydrophobicContact CG1-CG 4.35Å; V552-K556 WeakPolarHBondContact O-CB 3.42Å; V552-K556 PolarHBondContact O-N 3.47Å; A553-K556 PolarHBondContact O-N 2.8Å; K556-Y558 PolarHBondContact O-N 3.42Å
557H92.9Very high93.8Very high171 Ų17160.8 Ų60.879%0.79230%0.296SS*.THydrogen-bonded Turntrans5241.4-174.1-57.2-68.8000113.1A553 R554 I555A553-H557 PolarHBondContact O-N 3.14Å; R554-H557 PolarHBondContact O-N 2.92Å; I555-H557 VanDerWaalsContact C-N 3.31Å
558Y91Very high93.9Very high52 Ų5260.8 Ų60.820%0.20430%0.296CS..  trans-96.1108.1179.5-166-81.4000109.6E509 D539 I542 L546 A553 K556 A563E509-Y558 HydrophobicContact CB-CE2 4.26Å; D539-Y558 PolarHBondContact OD1-OH 3.08Å; D539-Y558 VanDerWaalsContact OD2-CE1 3.27Å; D539-Y558 WeakPolarHBondContact OD2-CE1 3.23Å; D539-Y558 PolarHBondContact OD2-OH 3.01Å; I542-Y558 HydrophobicContact CD1-CE1 3.87Å; I542-Y558 HydrophobicContact CG1-CE1 4.26Å; L546-Y558 HydrophobicContact CD1-CD1 4.38Å; L546-Y558 HydrophobicContact CD1-CD2 3.65Å; L546-Y558 HydrophobicContact CD1-CE2 4.08Å; L546-Y558 HydrophobicContact CD1-CG 3.82Å; L546-Y558 HydrophobicContact CD2-CG 4.14Å; A553-Y558 PolarHBondContact O-N 3.47Å; K556-Y558 PolarHBondContact O-N 3.42Å; Y558-A563 HydrophobicContact CD1-CB 3.98Å
559E91.2Very high94Very high194 Ų19459.1 Ų59.191%0.90729%0.287SS*.  trans-99.2113.8-177.5-67.5-172.4173.300111
560S92.1Very high94.1Very high27 Ų2757.4 Ų57.419%0.18928%0.275CS..  trans-159.8146.8174.7164.50000110.3D539 V562 A563D539-S560 WeakPolarHBondContact CB-OG 3.46Å; D539-S560 VanDerWaalsContact CG-OG 3.31Å; D539-S560 WeakPolarHBondContact OD2-CB 3.38Å; D539-S560 PolarHBondContact OD2-OG 3.27Å; S560-V562 PolarHBondContact O-N 3.12Å; S560-V562 VanDerWaalsContact O-N 3.13Å; S560-V562 PolarHBondContact OG-N 3.01Å; S560-V562 VanDerWaalsContact OG-N 3.16Å; S560-A563 WeakPolarHBondContact O-CB 3.27Å; S560-A563 PolarHBondContact O-N 3.5Å; S560-A563 VanDerWaalsContact O-N 3.12Å
561P92.3Very high94.2Very high70 Ų7051.8 Ų51.846%0.45525%0.252SS..THydrogen-bonded Turntrans-58.7-20.6172.6-23.133.9000114.1K501 W537K501-P561 VanDerWaalsContact CD-O 3.24Å; K501-P561 WeakPolarHBondContact CD-O 3.16Å; K501-P561 VanDerWaalsContact CE-O 3.31Å; K501-P561 WeakPolarHBondContact CE-O 3.38Å; W537-P561 HydrophobicContact CB-CB 4.3Å; W537-P561 HydrophobicContact CD2-CB 4.09Å; W537-P561 HydrophobicContact CD2-CG 4.3Å; W537-P561 HydrophobicContact CE3-CB 4.14Å; W537-P561 HydrophobicContact CE3-CG 3.84Å; W537-P561 HydrophobicContact CG-CB 4.17Å; W537-P561 HydrophobicContact CZ3-CG 4.24Å
562V95.9Very high94.1Very high1 Ų149 Ų491%0.00624%0.241CC..THydrogen-bonded Turntrans-89.4-24.5179.6-175.70000111.7K501 W537 D539 S560 G564 D565 A566K501-V562 HydrophobicContact CB-CB 4.46Å; K501-V562 HydrophobicContact CB-CG1 4.37Å; K501-V562 HydrophobicContact CB-CG2 4.1Å; W537-V562 HydrophobicContact CB-CG2 4.27Å; D539-V562 HydrophobicContact CB-CB 3.92Å; D539-V562 HydrophobicContact CB-CG2 3.74Å; S560-V562 PolarHBondContact O-N 3.12Å; S560-V562 VanDerWaalsContact O-N 3.13Å; S560-V562 PolarHBondContact OG-N 3.01Å; S560-V562 VanDerWaalsContact OG-N 3.16Å; V562-G564 PolarHBondContact O-N 3.46Å; V562-G564 VanDerWaalsContact O-N 3.15Å; V562-D565 CarbonylContact O-C 3.47Å; V562-D565 PolarHBondContact O-N 2.96Å; V562-A566 HydrophobicContact CG1-CB 3.96Å; V562-A566 PolarHBondContact O-N 2.67Å
563A94.9Very high94.1Very high15 Ų1549.7 Ų49.712%0.12424%0.244CC..THydrogen-bonded Turntrans-62.3116.6-171.800000112.3L546 A553 Y558 S560 D565L546-A563 CarbonylContact O-C 3.54Å; L546-A563 WeakPolarHBondContact O-CA 3.38Å; A553-A563 HydrophobicContact CB-CB 3.83Å; Y558-A563 HydrophobicContact CD1-CB 3.98Å; S560-A563 WeakPolarHBondContact O-CB 3.27Å; S560-A563 PolarHBondContact O-N 3.5Å; S560-A563 VanDerWaalsContact O-N 3.12Å; A563-D565 PolarHBondContact O-N 3.13Å
564G94.3Very high94Very high1 Ų151.1 Ų51.11%0.0125%0.25CS..THydrogen-bonded Turntrans69.911.4-176.300000115.2L546 S547 K550 V562L546-G564 PolarHBondContact O-N 3.27Å; S547-G564 CarbonylContact O-C 3.37Å; S547-G564 WeakPolarHBondContact O-CA 3.35Å; S547-G564 PolarHBondContact O-N 2.9Å; K550-G564 WeakPolarHBondContact CE-O 3.49Å; K550-G564 VanDerWaalsContact CG-O 3.27Å; K550-G564 WeakPolarHBondContact CG-O 3.39Å; V562-G564 PolarHBondContact O-N 3.46Å; V562-G564 VanDerWaalsContact O-N 3.15Å
565D96.2Very high93.9Very high28 Ų2847.6 Ų47.615%0.1525%0.248CC..  trans-147.129.3-173.8-160.932.3000112.4Y461 H462 K463 K501 S547 V562 A563 D567Y461-D565 WeakPolarHBondContact OH-CA 3.49Å; H462-D565 IonicContact CD2-OD1 2.63Å; H462-D565 IonicContact CE1-OD1 3.84Å; H462-D565 PolarHBondContact CE1-OD1 2.94Å; H462-D565 IonicContact NE2-OD1 2.85Å; H462-D565 PolarHBondContact NE2-OD1 3.01Å; K463-D565 VanDerWaalsContact CE-OD1 3.25Å; K463-D565 WeakPolarHBondContact CE-OD1 3.49Å; K463-D565 PolarHBondContact NZ-O 3.34Å; K463-D565 IonicContact NZ-OD1 3.76Å; K463-D565 PolarHBondContact NZ-OD1 3.32Å; K463-D565 IonicContact NZ-OD2 3.79Å; K501-D565 HydrophobicContact CD-CB 4.18Å; K501-D565 WeakPolarHBondContact CD-O 3.47Å; K501-D565 WeakPolarHBondContact CE-OD2 3.34Å; K501-D565 IonicContact NZ-OD2 2.8Å; K501-D565 PolarHBondContact NZ-OD2 3.23Å; S547-D565 PolarHBondContact O-N 3.18Å; S547-D565 VanDerWaalsContact O-N 3.16Å; V562-D565 CarbonylContact O-C 3.47Å; V562-D565 PolarHBondContact O-N 2.96Å; A563-D565 PolarHBondContact O-N 3.13Å; D565-D567 PolarHBondContact O-N 3.5Å
566A97.1Very high93.9Very high0 Ų045 Ų450%024%0.237CC..  trans-61.1136.9174.800000111.9Y461 K463 S547 L548 V562 V569Y461-A566 PolarHBondContact OH-N 3.01Å; Y461-A566 VanDerWaalsContact OH-N 3.09Å; Y461-A566 PolarHBondContact OH-O 2.93Å; K463-A566 WeakPolarHBondContact CE-O 3.33Å; S547-A566 WeakPolarHBondContact O-CB 3.44Å; S547-A566 PolarHBondContact O-N 2.63Å; S547-A566 VanDerWaalsContact O-N 3.16Å; L548-A566 HydrophobicContact CD2-CB 4.19Å; V562-A566 HydrophobicContact CG1-CB 3.96Å; V562-A566 PolarHBondContact O-N 2.67Å; A566-V569 HydrophobicContact CB-CG1 3.99Å
567D97.6Very high94Very high10 Ų1040.7 Ų40.75%0.05322%0.218CC..SBendtrans-93.7-34.7169.4-65.4-57000110.6K463 L466 M492 P500 K501 D565K463-D567 WeakPolarHBondContact CE-OD1 3.39Å; K463-D567 VanDerWaalsContact NZ-CG 3.35Å; K463-D567 IonicContact NZ-OD1 3.88Å; K463-D567 PolarHBondContact NZ-OD1 3.08Å; K463-D567 IonicContact NZ-OD2 3.14Å; L466-D567 WeakPolarHBondContact CB-O 3.15Å; L466-D567 PolarHBondContact N-O 2.83Å; M492-D567 HydrophobicContact CE-CB 3.66Å; P500-D567 WeakPolarHBondContact CA-OD2 3.44Å; P500-D567 HydrophobicContact CB-CB 3.92Å; K501-D567 WeakPolarHBondContact CB-OD2 3.25Å; K501-D567 PolarHBondContact N-OD2 3.26Å; K501-D567 PolarHBondContact O-N 3.49Å; D565-D567 PolarHBondContact O-N 3.5Å
568I97.8Very high93.9Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-127.9135.5179.9-57.2169.8000108.8L466 T468 G488 I489 M492 P500 K501 V502 G503 V570L466-I568 HydrophobicContact CB-CG1 4.07Å; L466-I568 HydrophobicContact CD1-CG1 4.45Å; L466-I568 HydrophobicContact CD2-CB 4.36Å; L466-I568 HydrophobicContact CD2-CG1 4.1Å; L466-I568 HydrophobicContact CD2-CG2 3.75Å; L466-I568 HydrophobicContact CG-CG1 4.45Å; L466-I568 CarbonylContact O-C 3.6Å; L466-I568 WeakPolarHBondContact O-CA 3.49Å; T468-I568 HydrophobicContact CG2-CG2 3.9Å; G488-I568 VanDerWaalsContact C-CD1 3.44Å; I489-I568 HydrophobicContact CG1-CD1 4.15Å; M492-I568 HydrophobicContact CB-CD1 4.48Å; M492-I568 HydrophobicContact CG-CD1 3.67Å; M492-I568 HydrophobicContact CG-CG1 3.65Å; M492-I568 HydrophobicContact SD-CG1 4.5Å; P500-I568 HydrophobicContact CB-CD1 3.97Å; P500-I568 HydrophobicContact CB-CG1 4.41Å; P500-I568 HydrophobicContact CG-CD1 4.06Å; K501-I568 PolarHBondContact O-N 2.94Å; V502-I568 WeakPolarHBondContact CA-O 3.42Å; V502-I568 HydrophobicContact CG1-CG2 4.42Å; V502-I568 HydrophobicContact CG2-CB 4.19Å; V502-I568 HydrophobicContact CG2-CD1 4.04Å; G503-I568 PolarHBondContact N-O 2.84Å; I568-V570 HydrophobicContact CG2-CG2 4.03Å
569V97.3Very high93.9Very high0 Ų036.7 Ų36.70%021%0.209CC..EExtended strand (participates in β ladder)trans-121.8131.8167.9-69.70000111.3L465 L466 T467 T468 G503 L505 L548 A566 M577 L580L465-V569 HydrophobicContact CD1-CG1 4.14Å; L465-V569 HydrophobicContact CD1-CG2 4.2Å; L465-V569 HydrophobicContact CD2-CG2 4.18Å; L465-V569 HydrophobicContact CG-CG2 4.29Å; L466-V569 PolarHBondContact O-N 2.85Å; T467-V569 HydrophobicContact CG2-CG2 3.72Å; T468-V569 PolarHBondContact N-O 3.02Å; T468-V569 PolarHBondContact OG1-O 2.92Å; G503-V569 WeakPolarHBondContact O-CA 3.45Å; L505-V569 HydrophobicContact CD1-CB 4.12Å; L505-V569 HydrophobicContact CD2-CB 4.39Å; L505-V569 HydrophobicContact CD2-CG1 4.26Å; L505-V569 HydrophobicContact CG-CB 4.25Å; L548-V569 HydrophobicContact CD2-CG1 4.29Å; A566-V569 HydrophobicContact CB-CG1 3.99Å; V569-M577 HydrophobicContact CG2-CE 4.36Å; V569-M577 WeakPolarHBondContact O-CE 3.26Å; V569-L580 HydrophobicContact CG2-CD2 4.25Å
570V96.6Very high94.1Very high4 Ų428.3 Ų28.32%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-118.4120.7-178.2-173.60000109.1T468 I485 V502 G503 L504 L505 I568T468-V570 HydrophobicContact CG2-CG2 3.92Å; T468-V570 WeakPolarHBondContact OG1-CA 3.42Å; I485-V570 HydrophobicContact CG1-CG2 3.83Å; V502-V570 HydrophobicContact CG1-CG2 4.18Å; G503-V570 PolarHBondContact O-N 2.88Å; L504-V570 HydrophobicContact CD2-CB 3.91Å; L504-V570 HydrophobicContact CD2-CG1 4.45Å; L504-V570 HydrophobicContact CD2-CG2 4.16Å; L505-V570 WeakPolarHBondContact CB-O 3.42Å; L505-V570 PolarHBondContact N-O 3.19Å; I568-V570 HydrophobicContact CG2-CG2 4.03Å
571G93.6Very high93.9Very high5 Ų527.5 Ų27.55%0.05217%0.167CC..  trans-90.3172.9178.700000114.1M577G571-M577 WeakPolarHBondContact CA-SD 3.39Å; G571-M577 PolarHBondContact N-SD 2.94Å
572P91.4Very high93.6Very high30 Ų3029.4 Ų29.420%0.19517%0.168CC..SBendtrans-73-32.9178.629.5-35.4000113.6K481 T576K481-P572 WeakPolarHBondContact CE-O 3.43Å; K481-P572 PolarHBondContact NZ-O 3.13Å; P572-T576 HydrophobicContact CG-CG2 4.2Å; P572-T576 WeakPolarHBondContact CG-OG1 3.46Å
573D92.7Very high93.5Very high53 Ų5331.5 Ų31.528%0.28318%0.182SC..SBendtrans-157170.1-172.756.550.8000112.4T575 T576 M577D573-T575 VanDerWaalsContact C-N 3.28Å; D573-T575 PolarHBondContact O-N 3.23Å; D573-T575 PolarHBondContact OD1-N 3.42Å; D573-T575 VanDerWaalsContact OD1-N 3.15Å; D573-T576 PolarHBondContact O-N 3.31Å; D573-T576 WeakPolarHBondContact OD1-CB 3.49Å; D573-T576 PolarHBondContact OD1-N 2.91Å; D573-T576 PolarHBondContact OD1-OG1 3.32Å; D573-M577 PolarHBondContact O-N 3.46Å
574I91Very high93.3Very high37 Ų3731.6 Ų31.619%0.1918%0.18CC..Hα-helixtrans-62.3-34.1180-162.1171.6000112.5T474 M577 N578T474-I574 VanDerWaalsContact O-CG2 3.29Å; T474-I574 WeakPolarHBondContact O-CG2 3.35Å; T474-I574 PolarHBondContact O-N 2.76Å; I574-M577 PolarHBondContact O-N 3.41Å; I574-N578 WeakPolarHBondContact O-CB 3.43Å; I574-N578 PolarHBondContact O-N 2.95Å
575T90.4Very high92.7Very high95 Ų9533.6 Ų33.658%0.58319%0.193SC*.Hα-helixtrans-65.2-46.3-176.6-60.30000109.6D573 V579D573-T575 VanDerWaalsContact C-N 3.28Å; D573-T575 PolarHBondContact O-N 3.23Å; D573-T575 PolarHBondContact OD1-N 3.42Å; D573-T575 VanDerWaalsContact OD1-N 3.15Å; T575-V579 WeakPolarHBondContact O-CB 3.48Å; T575-V579 WeakPolarHBondContact O-CG2 3.33Å; T575-V579 PolarHBondContact O-N 2.84Å
576T93.4Very high92.1Very high57 Ų5737 Ų3735%0.3521%0.21SC..Hα-helixtrans-60.4-48177.1-54.90000110.9P572 D573 L580P572-T576 HydrophobicContact CG-CG2 4.2Å; P572-T576 WeakPolarHBondContact CG-OG1 3.46Å; D573-T576 PolarHBondContact O-N 3.31Å; D573-T576 WeakPolarHBondContact OD1-CB 3.49Å; D573-T576 PolarHBondContact OD1-N 2.91Å; D573-T576 PolarHBondContact OD1-OG1 3.32Å; T576-L580 WeakPolarHBondContact O-CB 3.45Å; T576-L580 PolarHBondContact O-N 2.91Å
577M94.3Very high91.6Very high4 Ų443.8 Ų43.82%0.0225%0.245CC..Hα-helixtrans-75.3-31.4-176.3-64.4-52.6-71.600113.5T467 T468 L505 V569 G571 D573 I574 L580 G581T467-M577 HydrophobicContact CG2-CE 4.25Å; T468-M577 VanDerWaalsContact O-CE 3.32Å; T468-M577 WeakPolarHBondContact O-CE 3.37Å; T468-M577 WeakPolarHBondContact O-CG 2.8Å; L505-M577 HydrophobicContact CD1-SD 4.35Å; V569-M577 HydrophobicContact CG2-CE 4.36Å; V569-M577 WeakPolarHBondContact O-CE 3.26Å; G571-M577 WeakPolarHBondContact CA-SD 3.39Å; G571-M577 PolarHBondContact N-SD 2.94Å; D573-M577 PolarHBondContact O-N 3.46Å; I574-M577 PolarHBondContact O-N 3.41Å; M577-L580 HydrophobicContact CE-CD2 4.08Å; M577-L580 PolarHBondContact O-N 3.47Å; M577-L580 HydrophobicContact SD-CD2 4.16Å; M577-G581 PolarHBondContact O-N 2.91Å
578N89.9Confident91.1Very high55 Ų5545 Ų4529%0.29426%0.257SS..Hα-helixtrans-68.9-44.1172.8-169.5-96.7000111.2G470 I574 L580 G581 K582G470-N578 WeakPolarHBondContact O-CB 3.46Å; G470-N578 PolarHBondContact O-ND2 3.15Å; I574-N578 WeakPolarHBondContact O-CB 3.43Å; I574-N578 PolarHBondContact O-N 2.95Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-G581 PolarHBondContact O-N 3.09Å; N578-K582 WeakPolarHBondContact O-CB 3.21Å; N578-K582 WeakPolarHBondContact O-CG 3.13Å; N578-K582 PolarHBondContact O-N 2.81Å; N578-K582 WeakPolarHBondContact OD1-CD 3.29Å; N578-K582 WeakPolarHBondContact OD1-CE 3.36Å; N578-K582 PolarHBondContact OD1-NZ 3.01Å
579V92.7Very high90.4Very high84 Ų8447.3 Ų47.351%0.50928%0.281SS..Hα-helixtrans-61.2-43.5174169.80000110.2T575 S583T575-V579 WeakPolarHBondContact O-CB 3.48Å; T575-V579 WeakPolarHBondContact O-CG2 3.33Å; T575-V579 PolarHBondContact O-N 2.84Å; V579-S583 VanDerWaalsContact O-CB 3.25Å; V579-S583 WeakPolarHBondContact O-CB 3.42Å; V579-S583 PolarHBondContact O-N 3.1Å; V579-S583 PolarHBondContact O-OG 3.43Å
580L93.7Very high90Very high19 Ų1947.8 Ų47.810%0.09929%0.285CS..Hα-helixtrans-60.7-53.1175.317958.4000111.4T467 L505 L544 V569 T576 M577 N578 K582 S583 L584T467-L580 HydrophobicContact CG2-CD2 4.18Å; L505-L580 HydrophobicContact CD1-CD2 4.31Å; L544-L580 HydrophobicContact CD1-CD1 4.34Å; L544-L580 HydrophobicContact CD1-CD2 4.12Å; L544-L580 HydrophobicContact CD2-CD1 3.7Å; V569-L580 HydrophobicContact CG2-CD2 4.25Å; T576-L580 WeakPolarHBondContact O-CB 3.45Å; T576-L580 PolarHBondContact O-N 2.91Å; M577-L580 HydrophobicContact CE-CD2 4.08Å; M577-L580 PolarHBondContact O-N 3.47Å; M577-L580 HydrophobicContact SD-CD2 4.16Å; N578-L580 VanDerWaalsContact C-N 3.32Å; L580-K582 PolarHBondContact O-N 3.18Å; L580-S583 WeakPolarHBondContact O-CB 3.43Å; L580-S583 PolarHBondContact O-N 3.31Å; L580-S583 VanDerWaalsContact O-N 3.09Å; L580-L584 HydrophobicContact CD1-CD1 4.3Å; L580-L584 HydrophobicContact CD1-CD2 4.45Å; L580-L584 HydrophobicContact CD1-CG 4.14Å; L580-L584 HydrophobicContact CG-CD1 4.24Å; L580-L584 HydrophobicContact CG-CG 4.47Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.11Å
581G89.3Confident89.6Confident10 Ų1054.8 Ų54.810%0.10332%0.315CS..Hα-helixtrans-56.4-47.5-18000000112.6M577 N578 S583 L584 T585M577-G581 PolarHBondContact O-N 2.91Å; N578-G581 PolarHBondContact O-N 3.09Å; G581-S583 VanDerWaalsContact C-N 3.35Å; G581-S583 PolarHBondContact O-N 2.65Å; G581-L584 PolarHBondContact O-N 3.33Å; G581-T585 PolarHBondContact O-N 3.19Å; G581-T585 PolarHBondContact O-OG1 3.41Å
582K86Confident89.3Confident110 Ų11057.5 Ų57.548%0.47833%0.327SS..Hα-helixtrans-65.4-35.8175.6-73.7175.9177.1162.30113N578 L580 L584 T585 I586N578-K582 WeakPolarHBondContact O-CB 3.21Å; N578-K582 WeakPolarHBondContact O-CG 3.13Å; N578-K582 PolarHBondContact O-N 2.81Å; N578-K582 WeakPolarHBondContact OD1-CD 3.29Å; N578-K582 WeakPolarHBondContact OD1-CE 3.36Å; N578-K582 PolarHBondContact OD1-NZ 3.01Å; L580-K582 PolarHBondContact O-N 3.18Å; K582-L584 VanDerWaalsContact C-N 3.35Å; K582-T585 PolarHBondContact O-OG1 3.04Å; K582-I586 HydrophobicContact CB-CD1 4.24Å; K582-I586 WeakPolarHBondContact O-CB 3.44Å; K582-I586 VanDerWaalsContact O-CG1 3.29Å; K582-I586 WeakPolarHBondContact O-CG1 3.43Å; K582-I586 PolarHBondContact O-N 3.45Å
583S92.5Very high89.2Confident44 Ų4458.8 Ų58.831%0.30834%0.34SS..Hα-helixtrans-66.2-40.4175.6-59.70000110.9V579 L580 G581 L587 A588V579-S583 VanDerWaalsContact O-CB 3.25Å; V579-S583 WeakPolarHBondContact O-CB 3.42Å; V579-S583 PolarHBondContact O-N 3.1Å; V579-S583 PolarHBondContact O-OG 3.43Å; L580-S583 WeakPolarHBondContact O-CB 3.43Å; L580-S583 PolarHBondContact O-N 3.31Å; L580-S583 VanDerWaalsContact O-N 3.09Å; G581-S583 VanDerWaalsContact C-N 3.35Å; G581-S583 PolarHBondContact O-N 2.65Å; S583-L587 WeakPolarHBondContact O-CA 3.34Å; S583-L587 VanDerWaalsContact O-CB 3.24Å; S583-L587 WeakPolarHBondContact O-CB 3.46Å; S583-L587 PolarHBondContact O-N 2.92Å; S583-A588 PolarHBondContact O-N 2.97Å; S583-A588 VanDerWaalsContact O-N 3.08Å
584L91.2Very high89Confident17 Ų1756.6 Ų56.69%0.08933%0.33CS..Hα-helixtrans-62.3-48.8175.9-67.6176.7000111.3N456 I458 T467 L580 G581 K582 A588 G589 A590N456-L584 HydrophobicContact CB-CD1 4.35Å; I458-L584 HydrophobicContact CD1-CD1 3.99Å; I458-L584 HydrophobicContact CD1-CD2 3.64Å; I458-L584 HydrophobicContact CD1-CG 4.38Å; I458-L584 HydrophobicContact CG1-CD2 4.1Å; I458-L584 HydrophobicContact CG2-CD2 4.46Å; T467-L584 HydrophobicContact CG2-CD1 4.11Å; L580-L584 HydrophobicContact CD1-CD1 4.3Å; L580-L584 HydrophobicContact CD1-CD2 4.45Å; L580-L584 HydrophobicContact CD1-CG 4.14Å; L580-L584 HydrophobicContact CG-CD1 4.24Å; L580-L584 HydrophobicContact CG-CG 4.47Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.11Å; G581-L584 PolarHBondContact O-N 3.33Å; K582-L584 VanDerWaalsContact C-N 3.35Å; L584-A588 CarbonylContact O-C 3.42Å; L584-A588 WeakPolarHBondContact O-CA 3.38Å; L584-A588 VanDerWaalsContact O-CB 3.32Å; L584-A588 WeakPolarHBondContact O-CB 3.17Å; L584-A588 PolarHBondContact O-N 3.44Å; L584-G589 PolarHBondContact O-N 3.37Å; L584-A590 HydrophobicContact CB-CB 3.95Å; L584-A590 WeakPolarHBondContact O-CB 3.48Å; L584-A590 PolarHBondContact O-N 3.41Å
585T82.7Confident89.1Confident43 Ų4356.4 Ų56.426%0.26433%0.329SS..Hα-helixtrans-74.3-43.3-176.956.10000113.1G581 K582 M592G581-T585 PolarHBondContact O-N 3.19Å; G581-T585 PolarHBondContact O-OG1 3.41Å; K582-T585 PolarHBondContact O-OG1 3.04Å; T585-M592 HydrophobicContact CG2-CB 3.74Å; T585-M592 HydrophobicContact CG2-SD 4.36Å
586I82.6Confident89.2Confident100 Ų10052 Ų5251%0.51330%0.302SS..Hα-helixtrans-84.1-42.2-173.5-59.5174.1000112K582K582-I586 HydrophobicContact CB-CD1 4.24Å; K582-I586 WeakPolarHBondContact O-CB 3.44Å; K582-I586 VanDerWaalsContact O-CG1 3.29Å; K582-I586 WeakPolarHBondContact O-CG1 3.43Å; K582-I586 PolarHBondContact O-N 3.45Å
587L86.8Confident89.2Confident142 Ų14249.9 Ų49.974%0.74329%0.288SS*.THydrogen-bonded Turntrans-99.8-36.5-173-53.3175.6000112.6S583S583-L587 WeakPolarHBondContact O-CA 3.34Å; S583-L587 VanDerWaalsContact O-CB 3.24Å; S583-L587 WeakPolarHBondContact O-CB 3.46Å; S583-L587 PolarHBondContact O-N 2.92Å
588A86.9Confident89Confident36 Ų3650 Ų5030%0.29829%0.291SS..SBendtrans-95.2-0.9-178.100000113.9I458 P459 S583 L584 A590I458-A588 HydrophobicContact CG2-CB 4.16Å; P459-A588 WeakPolarHBondContact CD-O 3.36Å; S583-A588 PolarHBondContact O-N 2.97Å; S583-A588 VanDerWaalsContact O-N 3.08Å; L584-A588 CarbonylContact O-C 3.42Å; L584-A588 WeakPolarHBondContact O-CA 3.38Å; L584-A588 VanDerWaalsContact O-CB 3.32Å; L584-A588 WeakPolarHBondContact O-CB 3.17Å; L584-A588 PolarHBondContact O-N 3.44Å; A588-A590 PolarHBondContact O-N 3.28Å
589G83.8Confident89Confident49 Ų4948.1 Ų48.151%0.50528%0.282SS..  trans65.825.6-179.900000113.7L584L584-G589 PolarHBondContact O-N 3.37Å
590A88.8Confident88.8Confident10 Ų1046.9 Ų46.98%0.08328%0.278CS..  trans-72.4142.5-178.900000111.9E457 I458 L584 A588E457-A590 CarbonylContact O-C 3.56Å; E457-A590 WeakPolarHBondContact O-CA 3.32Å; E457-A590 WeakPolarHBondContact O-CB 3.48Å; I458-A590 HydrophobicContact CB-CB 4.29Å; I458-A590 HydrophobicContact CG1-CB 3.79Å; I458-A590 HydrophobicContact CG2-CB 4.5Å; L584-A590 HydrophobicContact CB-CB 3.95Å; L584-A590 WeakPolarHBondContact O-CB 3.48Å; L584-A590 PolarHBondContact O-N 3.41Å; A588-A590 PolarHBondContact O-N 3.28Å
591K88.2Confident88.6Confident151 Ų15146.5 Ų46.566%0.65728%0.276SS*.EExtended strand (participates in β ladder)trans-90.2130.7165.5-63.5177.4-174.11680108.7N456 E457N456-K591 WeakPolarHBondContact CA-O 3.39Å; E457-K591 HydrophobicContact CB-CB 4.4Å; E457-K591 PolarHBondContact N-O 3.46Å; E457-K591 PolarHBondContact O-N 3.4Å
592M87.7Confident88.8Confident61 Ų6147.7 Ų47.730%0.328%0.282SS..EExtended strand (participates in β ladder)trans-117.8133.6-176.3-174.5-178.173.700110.6A454 L455 T585A454-M592 HydrophobicContact CB-CG 3.82Å; A454-M592 HydrophobicContact CB-SD 3.85Å; L455-M592 WeakPolarHBondContact O-CA 3.36Å; T585-M592 HydrophobicContact CG2-CB 3.74Å; T585-M592 HydrophobicContact CG2-SD 4.36Å
593A88.5Confident89.2Confident57 Ų5742.4 Ų42.447%0.47126%0.259SS..EExtended strand (participates in β ladder)trans-116.8119.2168.100000109.6A454 L455A454-A593 WeakPolarHBondContact CA-O 3.3Å; L455-A593 PolarHBondContact N-O 3.03Å; L455-A593 PolarHBondContact O-N 2.68Å
594G89.3Confident89.1Confident7 Ų742.1 Ų42.17%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-98.3132.3-17800000113.2H452 M605H452-G594 WeakPolarHBondContact NE2-CA 3.44Å; G594-M605 PolarHBondContact O-N 3.23Å
595L92.3Very high88.7Confident34 Ų3443 Ų4318%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-126.5146.2176.6-63.8166.8000109.6H452 V453 V491 I603 V604H452-L595 CarbonylContact C-O 3.51Å; H452-L595 WeakPolarHBondContact CA-O 3.42Å; H452-L595 PolarHBondContact CD2-O 2.92Å; V453-L595 PolarHBondContact N-O 3.21Å; V453-L595 PolarHBondContact O-N 3.41Å; V491-L595 HydrophobicContact CG1-CD1 4.43Å; L595-I603 CarbonylContact C-O 3.36Å; L595-I603 WeakPolarHBondContact CA-O 3.44Å; L595-V604 HydrophobicContact CD2-CG2 3.95Å
596I92.7Very high87.9Confident1 Ų143.6 Ų43.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-107.1124.1166.1-56.7174.8000108.3L434 L450 S451 M472 I603 M605L434-I596 HydrophobicContact CD2-CD1 3.76Å; L450-I596 HydrophobicContact CB-CG2 4.04Å; S451-I596 WeakPolarHBondContact O-CA 3.49Å; M472-I596 HydrophobicContact CE-CD1 4.2Å; M472-I596 HydrophobicContact CE-CG2 4.02Å; M472-I596 HydrophobicContact SD-CB 4.24Å; M472-I596 HydrophobicContact SD-CD1 3.57Å; M472-I596 VanDerWaalsContact SD-CD1 3.57Å; M472-I596 HydrophobicContact SD-CG1 3.63Å; M472-I596 HydrophobicContact SD-CG2 3.68Å; I596-I603 HydrophobicContact CB-CB 4.14Å; I596-I603 PolarHBondContact N-O 3.04Å; I596-I603 PolarHBondContact O-N 3.29Å; I596-I603 VanDerWaalsContact O-N 3.15Å; I596-M605 HydrophobicContact CD1-CE 4.23Å; I596-M605 HydrophobicContact CD1-CG 3.61Å; I596-M605 HydrophobicContact CD1-SD 3.57Å; I596-M605 VanDerWaalsContact CD1-SD 3.57Å; I596-M605 HydrophobicContact CG1-CG 3.68Å; I596-M605 HydrophobicContact CG1-SD 4.31Å
597M92.9Very high86.5Confident14 Ų1446.7 Ų46.77%0.06927%0.271CS..EExtended strand (participates in β ladder)trans-105.1159177.3-61.1-57.7-6800110.8L450 S451 V453 H487 E490 V491 P602L450-M597 WeakPolarHBondContact CA-O 3.49Å; S451-M597 PolarHBondContact N-O 3.36Å; S451-M597 PolarHBondContact O-N 3.3Å; V453-M597 HydrophobicContact CB-CG 4.43Å; V453-M597 HydrophobicContact CG2-CG 3.96Å; H487-M597 HydrophobicContact CB-CB 3.77Å; H487-M597 HydrophobicContact CB-CG 4.23Å; E490-M597 HydrophobicContact CG-CE 4.34Å; V491-M597 HydrophobicContact CG2-CE 4.01Å; V491-M597 HydrophobicContact CG2-CG 3.98Å; V491-M597 HydrophobicContact CG2-SD 3.81Å; M597-P602 HydrophobicContact SD-CB 4.24Å
598G89.9Confident84.6Confident7 Ų743.4 Ų43.47%0.07226%0.257CS..SBendtrans98.6218000000115.1T446 S447 L450T446-G598 PolarHBondContact N-O 2.93Å; T446-G598 PolarHBondContact OG1-O 3.2Å; T446-G598 VanDerWaalsContact OG1-O 3.12Å; S447-G598 PolarHBondContact N-O 2.67Å; L450-G598 WeakPolarHBondContact CD2-O 3.34Å
599A91.6Very high82.9Confident14 Ų1448.7 Ų48.712%0.11627%0.273CS..BIsolated β-bridgetrans-94.7170.9165.200000110.7V437 I444 T446 L450 V601 I603V437-A599 HydrophobicContact CG1-CB 4.42Å; I444-A599 HydrophobicContact CD1-CB 4.11Å; I444-A599 HydrophobicContact CG1-CB 4.09Å; I444-A599 CarbonylContact O-C 3.56Å; I444-A599 VanDerWaalsContact O-CA 3.24Å; I444-A599 WeakPolarHBondContact O-CA 3.45Å; T446-A599 PolarHBondContact OG1-O 3.49Å; L450-A599 HydrophobicContact CD2-CB 4.13Å; A599-V601 WeakPolarHBondContact CB-O 3.4Å; A599-V601 PolarHBondContact O-N 3.23Å; A599-I603 HydrophobicContact CB-CD1 4.24Å
600S87.8Confident81.9Confident58 Ų5851.1 Ų51.141%0.40627%0.271SS..SBendtrans-64.6-20.4177.865.60000113.3I444I444-S600 WeakPolarHBondContact CB-OG 3.4Å; I444-S600 PolarHBondContact O-N 2.91Å
601V90.1Very high81.5Confident12 Ų1251.4 Ų51.47%0.07327%0.271CS..SBendtrans-134.6149.4171.7-63.40000109.3A415 D421 L423 I444 A599A415-V601 HydrophobicContact CB-CG2 3.8Å; D421-V601 WeakPolarHBondContact O-CB 3.48Å; D421-V601 WeakPolarHBondContact O-CG1 3.39Å; L423-V601 HydrophobicContact CD1-CG2 4.31Å; L423-V601 HydrophobicContact CG-CG2 4.12Å; I444-V601 HydrophobicContact CD1-CG2 4.06Å; A599-V601 WeakPolarHBondContact CB-O 3.4Å; A599-V601 PolarHBondContact O-N 3.23Å
602P91.9Very high81.6Confident34 Ų3445.8 Ų45.822%0.22125%0.247CC..  trans-64.8147.3172.2-17.531.4000111.3F422 L423 M597F422-P602 HydrophobicContact CD1-CB 3.8Å; F422-P602 HydrophobicContact CD1-CG 4.02Å; F422-P602 HydrophobicContact CE1-CB 3.71Å; F422-P602 HydrophobicContact CE1-CG 3.62Å; F422-P602 HydrophobicContact CZ-CG 4.21Å; L423-P602 PolarHBondContact N-O 2.96Å; L423-P602 VanDerWaalsContact N-O 3.15Å; M597-P602 HydrophobicContact SD-CB 4.24Å
603I94.2Very high82Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-118.2118.8179.1-53.2171.9000109.6L423 F433 V437 I444 L595 I596 A599 M605L423-I603 HydrophobicContact CB-CG1 4.27Å; L423-I603 HydrophobicContact CB-CG2 4.36Å; L423-I603 CarbonylContact O-C 3.58Å; L423-I603 VanDerWaalsContact O-CA 3.31Å; L423-I603 WeakPolarHBondContact O-CA 3.5Å; F433-I603 HydrophobicContact CD1-CG2 4.48Å; F433-I603 HydrophobicContact CE1-CG2 3.39Å; F433-I603 HydrophobicContact CZ-CG2 3.79Å; V437-I603 HydrophobicContact CB-CD1 4.41Å; V437-I603 HydrophobicContact CG1-CD1 3.71Å; V437-I603 HydrophobicContact CG2-CD1 3.77Å; I444-I603 HydrophobicContact CD1-CD1 4.49Å; L595-I603 CarbonylContact C-O 3.36Å; L595-I603 WeakPolarHBondContact CA-O 3.44Å; I596-I603 HydrophobicContact CB-CB 4.14Å; I596-I603 PolarHBondContact N-O 3.04Å; I596-I603 PolarHBondContact O-N 3.29Å; I596-I603 VanDerWaalsContact O-N 3.15Å; A599-I603 HydrophobicContact CB-CD1 4.24Å; I603-M605 HydrophobicContact CG2-SD 4.45Å
604V91.6Very high82.4Confident37 Ų3740.2 Ų40.222%0.22421%0.211CC..EExtended strand (participates in β ladder)trans-80128.4176.2-176.10000109.8L423 M424 K425 L595L423-V604 PolarHBondContact O-N 3.37Å; M424-V604 HydrophobicContact CB-CB 4.18Å; M424-V604 HydrophobicContact CG-CB 4.12Å; M424-V604 HydrophobicContact CG-CG1 4.32Å; K425-V604 PolarHBondContact N-O 3.22Å; L595-V604 HydrophobicContact CD2-CG2 3.95Å
605M82.7Confident82.8Confident36 Ų3639.9 Ų39.918%0.17721%0.207CC..EExtended strand (participates in β ladder)trans-110.2115.8178.2-66.7-66-70.200109.7K425 T430 G594 I596 I603K425-M605 HydrophobicContact CB-SD 4.02Å; K425-M605 HydrophobicContact CD-CE 3.8Å; K425-M605 HydrophobicContact CD-SD 3.98Å; T430-M605 HydrophobicContact CG2-CE 3.67Å; G594-M605 PolarHBondContact O-N 3.23Å; I596-M605 HydrophobicContact CD1-CE 4.23Å; I596-M605 HydrophobicContact CD1-CG 3.61Å; I596-M605 HydrophobicContact CD1-SD 3.57Å; I596-M605 VanDerWaalsContact CD1-SD 3.57Å; I596-M605 HydrophobicContact CG1-CG 3.68Å; I596-M605 HydrophobicContact CG1-SD 4.31Å; I603-M605 HydrophobicContact CG2-SD 4.45Å
606Q65.5Low83Confident55 Ų5538.3 Ų38.326%0.25720%0.199SC..  trans-89.6132.9168.3-76.3-171.3-20.800111S364 M424 V608S364-Q606 PolarHBondContact OG-NE2 2.81Å; M424-Q606 HydrophobicContact CE-CG 3.67Å; Q606-V608 HydrophobicContact CB-CG2 4.31Å
607E52.9Low83Confident165 Ų16538.5 Ų38.577%0.77120%0.2SC*.  trans-91.9103.9158-72.9-167.4162.100107.9
608V47.2Very low83Confident73 Ų7337.8 Ų37.844%0.44220%0.196SC..  trans-88.6112.8172.4-170.70000107.6Q606Q606-V608 HydrophobicContact CB-CG2 4.31Å
609K52.3Low82.9Confident148 Ų14838.4 Ų38.464%0.64320%0.202SC*.PPolyproline II helixtrans-80.8121.5170.8-169.1-170.3-179.3-140.10108D678K609-D678 IonicContact NZ-OD1 2.75Å; K609-D678 PolarHBondContact NZ-OD1 3.02Å
610Q62.6Low82.5Confident99 Ų9941.2 Ų41.246%0.46322%0.221SC..PPolyproline II helixtrans-72.1134.8173.4-64.8-179.2-28.100110.2V629 D630Q610-V629 HydrophobicContact CB-CG1 4.16Å; Q610-D630 WeakPolarHBondContact CA-OD1 3.41Å; Q610-D630 WeakPolarHBondContact CG-OD2 3.48Å
611M78.8Confident82.2Confident16 Ų1642.7 Ų42.78%0.07923%0.228CC..PPolyproline II helixtrans-88.8128.1175.1-179.9-173.559.500110.3I613 V629 D630 D678 E949 V952 L953M611-I613 HydrophobicContact CE-CD1 4Å; M611-I613 HydrophobicContact CG-CD1 4.29Å; M611-I613 HydrophobicContact CG-CG1 4.28Å; M611-I613 HydrophobicContact SD-CD1 3.89Å; M611-V629 CarbonylContact O-C 3.52Å; M611-V629 VanDerWaalsContact O-CA 3.3Å; M611-V629 WeakPolarHBondContact O-CA 3.38Å; M611-D630 PolarHBondContact N-OD1 3.15Å; M611-D630 PolarHBondContact O-N 3.39Å; M611-D678 VanDerWaalsContact CA-OD2 3.29Å; M611-D678 WeakPolarHBondContact CA-OD2 3.38Å; M611-E949 HydrophobicContact CE-CB 3.88Å; M611-E949 HydrophobicContact CE-CG 3.51Å; M611-E949 HydrophobicContact SD-CB 4.22Å; M611-E949 HydrophobicContact SD-CG 4.12Å; M611-V952 HydrophobicContact CG-CB 4.46Å; M611-V952 HydrophobicContact CG-CG1 3.88Å; M611-V952 HydrophobicContact SD-CB 3.86Å; M611-V952 HydrophobicContact SD-CG1 3.77Å; M611-L953 HydrophobicContact SD-CG 4.38Å
612K91.1Very high82.2Confident33 Ų3343.4 Ų43.414%0.14323%0.233CC..EExtended strand (participates in β ladder)trans-123.1121.7-174.6-64178.2172.5179.90111.3Y627 Y628 V629 E676 L677 D678 A679K612-Y627 HydrophobicContact CB-CE2 4.12Å; K612-Y627 VanDerWaalsContact CD-OH 3.29Å; K612-Y627 WeakPolarHBondContact CD-OH 3.18Å; K612-Y627 WeakPolarHBondContact CG-OH 3.27Å; K612-Y628 WeakPolarHBondContact CA-O 3.39Å; K612-V629 HydrophobicContact CG-CG2 4.29Å; K612-E676 HydrophobicContact CD-CB 4.01Å; K612-E676 WeakPolarHBondContact CD-O 3.44Å; K612-E676 IonicContact NZ-OE2 2.9Å; K612-E676 PolarHBondContact NZ-OE2 3.45Å; K612-L677 HydrophobicContact CB-CD2 4.23Å; K612-D678 PolarHBondContact N-OD2 2.99Å; K612-D678 PolarHBondContact O-N 3.22Å; K612-A679 PolarHBondContact O-N 3.03Å
613I95.4Very high82.3Confident2 Ų241.8 Ų41.81%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-127.9136-174.7-60.4173.3000111.1M611 Y627 Y628 A679 A948 E949M611-I613 HydrophobicContact CE-CD1 4Å; M611-I613 HydrophobicContact CG-CD1 4.29Å; M611-I613 HydrophobicContact CG-CG1 4.28Å; M611-I613 HydrophobicContact SD-CD1 3.89Å; I613-Y627 WeakPolarHBondContact O-CA 3.35Å; I613-Y627 WeakPolarHBondContact O-CD2 3.29Å; I613-Y628 PolarHBondContact N-O 2.79Å; I613-Y628 PolarHBondContact O-N 2.85Å; I613-A679 WeakPolarHBondContact CA-O 3.15Å; I613-A679 HydrophobicContact CG1-CB 4.35Å; I613-A948 HydrophobicContact CD1-CB 3.94Å; I613-A948 HydrophobicContact CG1-CB 4.48Å; I613-A948 HydrophobicContact CG2-CB 3.85Å; I613-E949 HydrophobicContact CD1-CB 3.87Å
614L97.3Very high82.3Confident0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-112.7121171.6-170.177.5000110.5I616 V625 Y627 F666 M667 L677 A679 V680 A681 I725L614-I616 HydrophobicContact CD2-CD1 4.3Å; L614-I616 HydrophobicContact CD2-CG1 4.4Å; L614-I616 HydrophobicContact CG-CG1 4.48Å; L614-V625 HydrophobicContact CD1-CG2 3.8Å; L614-V625 HydrophobicContact CG-CG2 4.24Å; L614-Y627 HydrophobicContact CD1-CD2 4.4Å; L614-F666 HydrophobicContact CD1-CE1 4.43Å; L614-M667 HydrophobicContact CD2-CE 4.19Å; L614-M667 HydrophobicContact CD2-CG 4.38Å; L614-M667 HydrophobicContact CD2-SD 3.82Å; L614-L677 HydrophobicContact CB-CD1 3.9Å; L614-L677 HydrophobicContact CB-CD2 4.27Å; L614-L677 HydrophobicContact CD2-CD1 4.3Å; L614-A679 PolarHBondContact N-O 2.84Å; L614-V680 HydrophobicContact CB-CG1 4.37Å; L614-V680 HydrophobicContact CD2-CG1 4.4Å; L614-V680 CarbonylContact O-C 3.59Å; L614-V680 VanDerWaalsContact O-CA 3.32Å; L614-V680 WeakPolarHBondContact O-CA 3.42Å; L614-A681 PolarHBondContact O-N 2.75Å; L614-I725 HydrophobicContact CD2-CG2 4.06Å
615A97.1Very high82.5Confident0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-103.3135.7176.900000111.4V625 S626 Y628 A681 M941 L944A615-V625 WeakPolarHBondContact O-CA 3.36Å; A615-S626 PolarHBondContact N-O 2.87Å; A615-S626 PolarHBondContact O-N 2.76Å; A615-Y628 HydrophobicContact CB-CE2 4.2Å; A615-A681 CarbonylContact C-O 3.56Å; A615-A681 WeakPolarHBondContact CA-O 3.49Å; A615-M941 HydrophobicContact CB-CE 3.86Å; A615-M941 VanDerWaalsContact O-CE 3.27Å; A615-M941 WeakPolarHBondContact O-CE 3.45Å; A615-L944 HydrophobicContact CB-CB 3.9Å; A615-L944 HydrophobicContact CB-CD1 4.36Å
616I96.6Very high83.1Confident0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-130.4122.2-173.4-54.1166.9000110.3L614 T623 L663 V680 A681 G682 R683 L721 I725L614-I616 HydrophobicContact CD2-CD1 4.3Å; L614-I616 HydrophobicContact CD2-CG1 4.4Å; L614-I616 HydrophobicContact CG-CG1 4.48Å; I616-T623 HydrophobicContact CG2-CG2 4.32Å; I616-L663 HydrophobicContact CD1-CD1 3.95Å; I616-L663 HydrophobicContact CG1-CD1 4.31Å; I616-L663 HydrophobicContact CG2-CD1 3.79Å; I616-L663 HydrophobicContact CG2-CD2 4.37Å; I616-V680 HydrophobicContact CD1-CG1 3.55Å; I616-V680 HydrophobicContact CG1-CG1 4.34Å; I616-A681 PolarHBondContact N-O 3.04Å; I616-G682 CarbonylContact O-C 3.53Å; I616-G682 WeakPolarHBondContact O-CA 3.28Å; I616-R683 PolarHBondContact O-N 2.99Å; I616-L721 HydrophobicContact CD1-CB 4.46Å; I616-L721 HydrophobicContact CG2-CB 4.31Å; I616-L721 HydrophobicContact CG2-CD1 4.25Å; I616-I725 HydrophobicContact CD1-CG1 4.14Å
617N94.5Very high84.5Confident5 Ų539.9 Ų39.93%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-131.293.2-179.6179.95.7000111.2G619 K624 R683 E940 M941 L944N617-G619 PolarHBondContact O-N 3.22Å; N617-K624 HydrophobicContact CB-CB 4.28Å; N617-K624 PolarHBondContact N-O 3.13Å; N617-K624 PolarHBondContact O-N 3.16Å; N617-R683 HydrophobicContact CB-CB 4.49Å; N617-R683 WeakPolarHBondContact OD1-CD 3.34Å; N617-R683 PolarHBondContact OD1-NH1 2.92Å; N617-R683 VanDerWaalsContact OD1-NH1 3.08Å; N617-E940 PolarHBondContact ND2-OE2 3.17Å; N617-M941 HydrophobicContact CB-SD 3.49Å; N617-M941 WeakPolarHBondContact CB-SD 3.3Å; N617-L944 HydrophobicContact CB-CD1 4.4Å
618P92.5Very high86.4Confident0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-77.6119.3176.626.4-26.3000111.5T623 P714 L717 L721P618-T623 HydrophobicContact CB-CG2 4.5Å; P618-P714 VanDerWaalsContact CG-O 3.29Å; P618-P714 WeakPolarHBondContact CG-O 3.48Å; P618-L717 HydrophobicContact CB-CB 4.42Å; P618-L717 HydrophobicContact CG-CB 4.12Å; P618-L721 HydrophobicContact CB-CD1 4.43Å; P618-L721 HydrophobicContact CG-CD1 4.37Å
619G86.8Confident88.3Confident19 Ų1930.1 Ų30.120%0.19616%0.16CC..  trans-104.6-179.1172.800000113.4N617 T621 S622 R659 P714N617-G619 PolarHBondContact O-N 3.22Å; G619-T621 PolarHBondContact O-N 2.91Å; G619-S622 CarbonylContact C-O 3.45Å; G619-S622 WeakPolarHBondContact CA-O 3.38Å; G619-S622 PolarHBondContact N-O 2.84Å; G619-S622 VanDerWaalsContact O-O 3.04Å; G619-R659 PolarHBondContact O-NH1 3.29Å; G619-R659 PolarHBondContact O-NH2 3.15Å; G619-P714 WeakPolarHBondContact O-CB 3.48Å
620S82.8Confident89.4Confident73 Ų7326.5 Ų26.551%0.5115%0.147SC..SBendtrans-61.9-40.7-177.8-590000114.2L646S620-L646 WeakPolarHBondContact O-CD1 3.48Å
621T83.1Confident90.1Very high90 Ų9022.4 Ų22.455%0.55213%0.132SC*.SBendtrans-125.410.3-17653.60000112.3G619 H641G619-T621 PolarHBondContact O-N 2.91Å; T621-H641 PolarHBondContact O-N 3.1Å
622S90Very high90.2Very high26 Ų2628.1 Ų28.118%0.18216%0.158CC..EExtended strand (participates in β ladder)trans-158.6170.5179.763.80000112.2G619 I639 H641 R659G619-S622 CarbonylContact C-O 3.45Å; G619-S622 WeakPolarHBondContact CA-O 3.38Å; G619-S622 PolarHBondContact N-O 2.84Å; G619-S622 VanDerWaalsContact O-O 3.04Å; S622-I639 CarbonylContact C-O 3.48Å; S622-I639 WeakPolarHBondContact CA-O 3.48Å; S622-I639 VanDerWaalsContact CB-O 3.31Å; S622-I639 WeakPolarHBondContact CB-O 3.35Å; S622-H641 VanDerWaalsContact C-CD2 3.48Å; S622-H641 VanDerWaalsContact CA-CD2 3.5Å; S622-H641 WeakPolarHBondContact CA-CD2 3.34Å; S622-R659 PolarHBondContact O-NH1 3.31Å; S622-R659 VanDerWaalsContact O-NH1 3.13Å
623T92.5Very high90.1Very high0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-131.9116.5165.6-63.30000107.9I616 P618 I639 H641 R659 L663I616-T623 HydrophobicContact CG2-CG2 4.32Å; P618-T623 HydrophobicContact CB-CG2 4.5Å; T623-I639 PolarHBondContact N-O 2.82Å; T623-I639 PolarHBondContact O-N 3.29Å; T623-H641 PolarHBondContact N-NE2 2.86Å; T623-H641 PolarHBondContact OG1-NE2 3.05Å; T623-R659 PolarHBondContact OG1-NH1 3.37Å; T623-L663 HydrophobicContact CG2-CD2 4.22Å
624K94.5Very high89.9Confident66 Ų6634.9 Ų34.929%0.28719%0.194SC..EExtended strand (participates in β ladder)trans-86.3134.5174.9-59.7177.2-174.8175.70108.3N617 Q637 E938 M941N617-K624 HydrophobicContact CB-CB 4.28Å; N617-K624 PolarHBondContact N-O 3.13Å; N617-K624 PolarHBondContact O-N 3.16Å; K624-Q637 WeakPolarHBondContact CA-O 3.49Å; K624-E938 IonicContact NZ-OE2 2.76Å; K624-E938 PolarHBondContact NZ-OE2 2.84Å; K624-M941 HydrophobicContact CB-CE 4.32Å; K624-M941 HydrophobicContact CB-SD 3.74Å
625V95.9Very high89.6Confident0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-133.6138.1176.159.60000109.4L614 A615 E636 Q637 I639 L663 F666L614-V625 HydrophobicContact CD1-CG2 3.8Å; L614-V625 HydrophobicContact CG-CG2 4.24Å; A615-V625 WeakPolarHBondContact O-CA 3.36Å; V625-E636 WeakPolarHBondContact O-CA 3.4Å; V625-Q637 HydrophobicContact CG1-CB 4.33Å; V625-Q637 PolarHBondContact N-O 2.98Å; V625-Q637 PolarHBondContact O-N 3.49Å; V625-I639 HydrophobicContact CG1-CD1 4.13Å; V625-L663 HydrophobicContact CB-CD2 3.8Å; V625-L663 HydrophobicContact CG1-CD2 4.27Å; V625-L663 HydrophobicContact CG2-CD2 3.87Å; V625-F666 HydrophobicContact CB-CD1 4.48Å; V625-F666 HydrophobicContact CB-CE1 4.35Å; V625-F666 HydrophobicContact CG1-CD1 3.74Å; V625-F666 HydrophobicContact CG1-CD2 4.03Å; V625-F666 HydrophobicContact CG1-CE1 3.73Å; V625-F666 HydrophobicContact CG1-CE2 4Å; V625-F666 HydrophobicContact CG1-CG 3.9Å; V625-F666 HydrophobicContact CG1-CZ 3.85Å; V625-F666 HydrophobicContact CG2-CD1 3.89Å; V625-F666 HydrophobicContact CG2-CE1 3.66Å; V625-F666 HydrophobicContact CG2-CZ 4.4Å
626S95.5Very high89.4Confident0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-139.5145.5171.751.80000112.1A615 Y628 K635 M941A615-S626 PolarHBondContact N-O 2.87Å; A615-S626 PolarHBondContact O-N 2.76Å; S626-Y628 WeakPolarHBondContact OG-CE2 3.41Å; S626-Y628 PolarHBondContact OG-OH 3.16Å; S626-K635 CarbonylContact C-O 3.42Å; S626-K635 WeakPolarHBondContact CA-O 3.41Å; S626-K635 WeakPolarHBondContact CB-O 3.23Å; S626-M941 WeakPolarHBondContact OG-CE 3.43Å
627Y95.9Very high89.2Confident22 Ų2246.5 Ų46.59%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-116.7128.2-179.6176.1-119.7000109.5K612 I613 L614 V629 I634 K635 I672 L677K612-Y627 HydrophobicContact CB-CE2 4.12Å; K612-Y627 VanDerWaalsContact CD-OH 3.29Å; K612-Y627 WeakPolarHBondContact CD-OH 3.18Å; K612-Y627 WeakPolarHBondContact CG-OH 3.27Å; I613-Y627 WeakPolarHBondContact O-CA 3.35Å; I613-Y627 WeakPolarHBondContact O-CD2 3.29Å; L614-Y627 HydrophobicContact CD1-CD2 4.4Å; Y627-V629 HydrophobicContact CE1-CG2 3.66Å; Y627-I634 HydrophobicContact CD1-CB 3.82Å; Y627-I634 HydrophobicContact CD1-CG1 4.35Å; Y627-I634 HydrophobicContact CD1-CG2 4.05Å; Y627-I634 HydrophobicContact CE1-CB 4.27Å; Y627-I634 HydrophobicContact CE1-CG1 4.4Å; Y627-I634 HydrophobicContact CE1-CG2 4.32Å; Y627-I634 PolarHBondContact O-N 3.27Å; Y627-K635 PolarHBondContact N-O 3.12Å; Y627-K635 PolarHBondContact O-N 3.24Å; Y627-I672 HydrophobicContact CD1-CD1 3.78Å; Y627-I672 HydrophobicContact CD1-CG1 3.88Å; Y627-I672 HydrophobicContact CD2-CD1 4.11Å; Y627-I672 HydrophobicContact CD2-CG1 4.38Å; Y627-I672 HydrophobicContact CD2-CG2 4.04Å; Y627-I672 HydrophobicContact CE1-CG1 4.12Å; Y627-I672 HydrophobicContact CE2-CG2 3.95Å; Y627-I672 HydrophobicContact CG-CD1 3.56Å; Y627-I672 HydrophobicContact CG-CG1 4.03Å; Y627-L677 HydrophobicContact CD2-CD2 4.06Å; Y627-L677 HydrophobicContact CE2-CD2 3.59Å
628Y92.4Very high89.1Confident11 Ų1148.6 Ų48.64%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-119.7143.5-177.2-60.7-99.2000111.2K612 I613 A615 S626 E632 I633 S945K612-Y628 WeakPolarHBondContact CA-O 3.39Å; I613-Y628 PolarHBondContact N-O 2.79Å; I613-Y628 PolarHBondContact O-N 2.85Å; A615-Y628 HydrophobicContact CB-CE2 4.2Å; S626-Y628 WeakPolarHBondContact OG-CE2 3.41Å; S626-Y628 PolarHBondContact OG-OH 3.16Å; Y628-E632 CarbonylContact C-O 3.56Å; Y628-E632 WeakPolarHBondContact CA-O 3.34Å; Y628-E632 WeakPolarHBondContact CB-O 3.38Å; Y628-I633 HydrophobicContact CD1-CB 3.99Å; Y628-I633 HydrophobicContact CD1-CG1 4.34Å; Y628-I633 HydrophobicContact CE1-CB 3.68Å; Y628-I633 HydrophobicContact CE1-CD1 4.11Å; Y628-I633 HydrophobicContact CE1-CG1 3.85Å; Y628-S945 WeakPolarHBondContact CD1-OG 3.36Å; Y628-S945 VanDerWaalsContact CD2-CB 3.47Å; Y628-S945 WeakPolarHBondContact CD2-OG 3.32Å
629V86.8Confident89.1Confident22 Ų2250 Ų5013%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-128.2121.3170.3-179.50000107.4Q610 M611 K612 Y627 G631 E632 I634Q610-V629 HydrophobicContact CB-CG1 4.16Å; M611-V629 CarbonylContact O-C 3.52Å; M611-V629 VanDerWaalsContact O-CA 3.3Å; M611-V629 WeakPolarHBondContact O-CA 3.38Å; K612-V629 HydrophobicContact CG-CG2 4.29Å; Y627-V629 HydrophobicContact CE1-CG2 3.66Å; V629-G631 PolarHBondContact O-N 2.85Å; V629-E632 PolarHBondContact N-O 2.89Å; V629-E632 PolarHBondContact O-N 2.87Å; V629-I634 HydrophobicContact CB-CD1 4.21Å; V629-I634 HydrophobicContact CB-CG1 3.83Å; V629-I634 HydrophobicContact CG2-CD1 4.37Å; V629-I634 HydrophobicContact CG2-CG1 3.56Å
630D75.9Confident89.1Confident72 Ų7253.8 Ų53.839%0.38530%0.302SS..THydrogen-bonded Turntrans50.543-178.5-58.4-39.4000112.8Q610 M611 E632Q610-D630 WeakPolarHBondContact CA-OD1 3.41Å; Q610-D630 WeakPolarHBondContact CG-OD2 3.48Å; M611-D630 PolarHBondContact N-OD1 3.15Å; M611-D630 PolarHBondContact O-N 3.39Å; D630-E632 PolarHBondContact O-N 3.48Å
631G77.7Confident89.5Confident13 Ų1350.7 Ų50.713%0.13428%0.279CS..THydrogen-bonded Turntrans80.9-10.7178.200000115.5V629V629-G631 PolarHBondContact O-N 2.85Å
632E80.4Confident89.6Confident136 Ų13648.6 Ų48.664%0.63627%0.268SS*.EExtended strand (participates in β ladder)trans-90.8141.6178.7-74.9-61.8148.900112.2Y628 V629 D630 I634Y628-E632 CarbonylContact C-O 3.56Å; Y628-E632 WeakPolarHBondContact CA-O 3.34Å; Y628-E632 WeakPolarHBondContact CB-O 3.38Å; V629-E632 PolarHBondContact N-O 2.89Å; V629-E632 PolarHBondContact O-N 2.87Å; D630-E632 PolarHBondContact O-N 3.48Å; E632-I634 PolarHBondContact O-N 2.86Å
633I87.7Confident89.1Confident76 Ų7651.9 Ų51.939%0.3929%0.287SS..EExtended strand (participates in β ladder)trans-80.3113.4-179.7-162.4167.9000110.5Y628 E636Y628-I633 HydrophobicContact CD1-CB 3.99Å; Y628-I633 HydrophobicContact CD1-CG1 4.34Å; Y628-I633 HydrophobicContact CE1-CB 3.68Å; Y628-I633 HydrophobicContact CE1-CD1 4.11Å; Y628-I633 HydrophobicContact CE1-CG1 3.85Å; I633-E636 HydrophobicContact CD1-CB 3.73Å; I633-E636 HydrophobicContact CD1-CG 4.33Å; I633-E636 HydrophobicContact CG1-CB 4.42Å
634I91.5Very high88.8Confident101 Ų10159.1 Ų59.152%0.51832%0.321SS..EExtended strand (participates in β ladder)trans-88.3-38.3177.3-58-51.4000110.6Y627 V629 E632Y627-I634 HydrophobicContact CD1-CB 3.82Å; Y627-I634 HydrophobicContact CD1-CG1 4.35Å; Y627-I634 HydrophobicContact CD1-CG2 4.05Å; Y627-I634 HydrophobicContact CE1-CB 4.27Å; Y627-I634 HydrophobicContact CE1-CG1 4.4Å; Y627-I634 HydrophobicContact CE1-CG2 4.32Å; Y627-I634 PolarHBondContact O-N 3.27Å; V629-I634 HydrophobicContact CB-CD1 4.21Å; V629-I634 HydrophobicContact CB-CG1 3.83Å; V629-I634 HydrophobicContact CG2-CD1 4.37Å; V629-I634 HydrophobicContact CG2-CG1 3.56Å; E632-I634 PolarHBondContact O-N 2.86Å
635K91.9Very high88.5Confident72 Ų7259.3 Ų59.331%0.31332%0.323SS..EExtended strand (participates in β ladder)trans-148.6141.6178.6-163.170.9179-144.60111.8S626 Y627 F666 E670S626-K635 CarbonylContact C-O 3.42Å; S626-K635 WeakPolarHBondContact CA-O 3.41Å; S626-K635 WeakPolarHBondContact CB-O 3.23Å; Y627-K635 PolarHBondContact N-O 3.12Å; Y627-K635 PolarHBondContact O-N 3.24Å; K635-F666 HydrophobicContact CB-CZ 4.2Å; K635-F666 HydrophobicContact CG-CE2 3.85Å; K635-F666 HydrophobicContact CG-CZ 3.73Å; K635-E670 HydrophobicContact CD-CG 4.48Å; K635-E670 WeakPolarHBondContact CD-OE2 3.44Å; K635-E670 WeakPolarHBondContact CE-OE1 3.5Å; K635-E670 WeakPolarHBondContact CE-OE2 3.43Å; K635-E670 HydrophobicContact CG-CG 4.1Å; K635-E670 IonicContact NZ-OE1 2.67Å; K635-E670 PolarHBondContact NZ-OE1 3.09Å; K635-E670 VanDerWaalsContact NZ-OE1 3.17Å; K635-E670 IonicContact NZ-OE2 2.82Å; K635-E670 PolarHBondContact NZ-OE2 3.38Å
636E92.5Very high88Confident107 Ų10760.6 Ų60.650%0.533%0.329SS..EExtended strand (participates in β ladder)trans-137.2137.5169-173.9169.825.500110V625 I633V625-E636 WeakPolarHBondContact O-CA 3.4Å; I633-E636 HydrophobicContact CD1-CB 3.73Å; I633-E636 HydrophobicContact CD1-CG 4.33Å; I633-E636 HydrophobicContact CG1-CB 4.42Å
637Q92.8Very high87.5Confident65 Ų6567.6 Ų67.630%0.30436%0.362SS..EExtended strand (participates in β ladder)trans-146.9130.5175.6-170.7172.4-7.200111.5K624 V625 I639 F666K624-Q637 WeakPolarHBondContact CA-O 3.49Å; V625-Q637 HydrophobicContact CG1-CB 4.33Å; V625-Q637 PolarHBondContact N-O 2.98Å; V625-Q637 PolarHBondContact O-N 3.49Å; Q637-I639 HydrophobicContact CG-CG1 4.07Å; Q637-F666 HydrophobicContact CB-CD2 4.24Å; Q637-F666 HydrophobicContact CB-CE2 3.81Å; Q637-F666 VanDerWaalsContact OE1-CD2 3.29Å
638G91.3Very high87.2Confident50 Ų5074.2 Ų74.252%0.51539%0.391SS..EExtended strand (participates in β ladder)trans-89.2114.6162.800000110.1
639I92.5Very high87.1Confident28 Ų2876.1 Ų76.114%0.14440%0.4CS..EExtended strand (participates in β ladder)trans-97.4105.9178.9-51.4172.8000108.2S622 T623 V625 Q637 I662 F666S622-I639 CarbonylContact C-O 3.48Å; S622-I639 WeakPolarHBondContact CA-O 3.48Å; S622-I639 VanDerWaalsContact CB-O 3.31Å; S622-I639 WeakPolarHBondContact CB-O 3.35Å; T623-I639 PolarHBondContact N-O 2.82Å; T623-I639 PolarHBondContact O-N 3.29Å; V625-I639 HydrophobicContact CG1-CD1 4.13Å; Q637-I639 HydrophobicContact CG-CG1 4.07Å; I639-I662 HydrophobicContact CB-CG2 4.2Å; I639-I662 HydrophobicContact CD1-CG2 3.38Å; I639-I662 HydrophobicContact CG1-CG2 4.34Å; I639-I662 HydrophobicContact CG2-CG2 3.65Å; I639-F666 HydrophobicContact CD1-CB 4.3Å
640S88.5Confident87.1Confident100 Ų10083.4 Ų83.470%0.69943%0.433SS*.EExtended strand (participates in β ladder)trans-74.7140.2-179.4-60.70000111.8
641H89.3Confident87.6Confident7 Ų783 Ų833%0.03243%0.431CS..  trans-111.9120.3174.8-53.9-50000108.5T621 S622 T623 L646 F658T621-H641 PolarHBondContact O-N 3.1Å; S622-H641 VanDerWaalsContact C-CD2 3.48Å; S622-H641 VanDerWaalsContact CA-CD2 3.5Å; S622-H641 WeakPolarHBondContact CA-CD2 3.34Å; T623-H641 PolarHBondContact N-NE2 2.86Å; T623-H641 PolarHBondContact OG1-NE2 3.05Å; H641-L646 HydrophobicContact CB-CD1 3.93Å; H641-L646 HydrophobicContact CB-CD2 3.81Å; H641-L646 HydrophobicContact CB-CG 3.84Å; H641-F658 AromaticContact CE1-CE1 3.87Å; H641-F658 AromaticContact ND1-CE1 3.53Å; H641-F658 AromaticContact ND1-CZ 3.7Å
642S85.3Confident88.1Confident46 Ų4683.4 Ų83.432%0.32243%0.43SS..  trans-68.6153.6176.765.70000111.3E644 E645 L646S642-E644 PolarHBondContact O-N 3.39Å; S642-E645 WeakPolarHBondContact CB-OE2 3.11Å; S642-E645 PolarHBondContact N-OE2 3.17Å; S642-E645 PolarHBondContact O-N 3.37Å; S642-E645 VanDerWaalsContact O-N 3.15Å; S642-E645 WeakPolarHBondContact OG-CB 3.48Å; S642-E645 WeakPolarHBondContact OG-CG 3.34Å; S642-E645 PolarHBondContact OG-N 3.2Å; S642-E645 PolarHBondContact OG-OE2 3.35Å; S642-L646 WeakPolarHBondContact O-CG 3.26Å; S642-L646 PolarHBondContact O-N 2.88Å; S642-L646 VanDerWaalsContact O-N 3.11Å
643T80.7Confident88.5Confident96 Ų9679.3 Ų79.359%0.58941%0.414SS*.Hα-helixtrans-56.6-36.9174.7-52.20000111.8L646 Q647T643-L646 PolarHBondContact O-N 2.95Å; T643-Q647 HydrophobicContact CG2-CG 4.22Å; T643-Q647 WeakPolarHBondContact O-CB 3.18Å; T643-Q647 WeakPolarHBondContact O-CG 3.19Å; T643-Q647 PolarHBondContact O-N 3.5Å
644E85.2Confident88.7Confident151 Ų15179.2 Ų79.271%0.70642%0.415SS*.Hα-helixtrans-67.6-34.4179.5-67.9155.8-168.500112.6S642S642-E644 PolarHBondContact O-N 3.39Å
645E88.3Confident88.8Confident70 Ų7075.1 Ų75.133%0.32739%0.393SS..Hα-helixtrans-69.4-45.7173-74.2162.2140.600111.1S642 K648 F649 F658S642-E645 WeakPolarHBondContact CB-OE2 3.11Å; S642-E645 PolarHBondContact N-OE2 3.17Å; S642-E645 PolarHBondContact O-N 3.37Å; S642-E645 VanDerWaalsContact O-N 3.15Å; S642-E645 WeakPolarHBondContact OG-CB 3.48Å; S642-E645 WeakPolarHBondContact OG-CG 3.34Å; S642-E645 PolarHBondContact OG-N 3.2Å; S642-E645 PolarHBondContact OG-OE2 3.35Å; E645-K648 WeakPolarHBondContact O-CB 3.23Å; E645-K648 PolarHBondContact O-N 3.08Å; E645-F649 WeakPolarHBondContact O-CD2 3.46Å; E645-F649 VanDerWaalsContact O-CE2 3.3Å; E645-F649 WeakPolarHBondContact O-CE2 3.32Å; E645-F658 HydrophobicContact CB-CZ 4.31Å
646L86.2Confident88.9Confident27 Ų2772.9 Ų72.914%0.14138%0.384CS..Hα-helixtrans-71.7-31-176.2-64.3179.1000113.1S620 H641 S642 T643 K648 F649 F658S620-L646 WeakPolarHBondContact O-CD1 3.48Å; H641-L646 HydrophobicContact CB-CD1 3.93Å; H641-L646 HydrophobicContact CB-CD2 3.81Å; H641-L646 HydrophobicContact CB-CG 3.84Å; S642-L646 WeakPolarHBondContact O-CG 3.26Å; S642-L646 PolarHBondContact O-N 2.88Å; S642-L646 VanDerWaalsContact O-N 3.11Å; T643-L646 PolarHBondContact O-N 2.95Å; L646-K648 PolarHBondContact O-N 2.94Å; L646-K648 VanDerWaalsContact O-N 3.13Å; L646-F649 PolarHBondContact O-N 3.02Å; L646-F658 HydrophobicContact CD2-CE1 4.49Å
647Q84.5Confident88.9Confident147 Ų14773.5 Ų73.569%0.68739%0.387SS*.THydrogen-bonded Turntrans-64-13.7177.7-83.41780.700114.1T643 F649T643-Q647 HydrophobicContact CG2-CG 4.22Å; T643-Q647 WeakPolarHBondContact O-CB 3.18Å; T643-Q647 WeakPolarHBondContact O-CG 3.19Å; T643-Q647 PolarHBondContact O-N 3.5Å; Q647-F649 PolarHBondContact O-N 3.25Å
648K90.1Very high89Confident161 Ų16172.7 Ų72.770%0.738%0.383SS*.THydrogen-bonded Turntrans-73-16.9176.9-61.8173.2-173171.20112.9E645 L646E645-K648 WeakPolarHBondContact O-CB 3.23Å; E645-K648 PolarHBondContact O-N 3.08Å; L646-K648 PolarHBondContact O-N 2.94Å; L646-K648 VanDerWaalsContact O-N 3.13Å
649F90Very high89.2Confident52 Ų5270.4 Ų70.423%0.22836%0.358CS..  trans-105133.7-175.9-55.7-81000109.8E645 L646 Q647 D654 Q655 F658E645-F649 WeakPolarHBondContact O-CD2 3.46Å; E645-F649 VanDerWaalsContact O-CE2 3.3Å; E645-F649 WeakPolarHBondContact O-CE2 3.32Å; L646-F649 PolarHBondContact O-N 3.02Å; Q647-F649 PolarHBondContact O-N 3.25Å; F649-D654 HydrophobicContact CB-CB 4.17Å; F649-D654 HydrophobicContact CD1-CB 3.92Å; F649-D654 WeakPolarHBondContact CD1-O 3.44Å; F649-D654 VanDerWaalsContact CE1-O 3.32Å; F649-D654 WeakPolarHBondContact CE1-O 3.24Å; F649-Q655 HydrophobicContact CB-CG 3.77Å; F649-Q655 HydrophobicContact CD1-CG 4.18Å; F649-Q655 HydrophobicContact CD2-CG 3.72Å; F649-Q655 HydrophobicContact CE2-CG 4.35Å; F649-Q655 HydrophobicContact CG-CB 4.49Å; F649-Q655 HydrophobicContact CG-CG 3.61Å; F649-F658 HydrophobicContact CE1-CB 4.25Å; F649-F658 HydrophobicContact CE2-CB 4.37Å; F649-F658 HydrophobicContact CE2-CD1 4.19Å; F649-F658 HydrophobicContact CE2-CG 4.21Å; F649-F658 HydrophobicContact CZ-CB 3.62Å; F649-F658 HydrophobicContact CZ-CD1 4.27Å; F649-F658 HydrophobicContact CZ-CD2 4.49Å; F649-F658 AromaticContact CZ-CG 3.89Å; F649-F658 HydrophobicContact CZ-CG 3.89Å
650Q86.5Confident89.3Confident175 Ų17571.5 Ų71.582%0.81836%0.361SS*.SBendtrans-74.5-45.7178-71.7-166.6-27.700110.8
651N86.8Confident89.6Confident64 Ų6470.8 Ų70.834%0.34235%0.349SS..SBendtrans-119.9160.7-178-51.1-50.9000110.4V653 D654 E712N651-V653 VanDerWaalsContact C-N 3.29Å; N651-V653 HydrophobicContact CB-CG1 4.19Å; N651-V653 PolarHBondContact O-N 3.5Å; N651-D654 WeakPolarHBondContact CB-OD2 3.21Å; N651-D654 PolarHBondContact N-OD2 2.71Å; N651-D654 PolarHBondContact ND2-OD2 2.93Å; N651-D654 WeakPolarHBondContact O-CB 3.37Å; N651-D654 PolarHBondContact O-N 2.71Å; N651-E712 WeakPolarHBondContact CA-OE2 3.3Å; N651-E712 WeakPolarHBondContact CB-OE1 3.28Å; N651-E712 PolarHBondContact OD1-OE1 3.19Å
652V87.9Confident89.8Confident21 Ų2172.2 Ų72.213%0.12736%0.357CS..G310 helixtrans-61.8-38.2177.8172.50000112.1D654 Q655 E712 L717V652-D654 PolarHBondContact O-N 2.82Å; V652-Q655 VanDerWaalsContact O-CB 3.28Å; V652-Q655 WeakPolarHBondContact O-CB 3.48Å; V652-Q655 WeakPolarHBondContact O-CG 3.38Å; V652-Q655 PolarHBondContact O-N 2.82Å; V652-E712 HydrophobicContact CG2-CB 4.27Å; V652-E712 PolarHBondContact N-OE2 2.8Å; V652-E712 VanDerWaalsContact N-OE2 3.15Å; V652-L717 HydrophobicContact CG1-CD1 4.05Å; V652-L717 HydrophobicContact CG1-CG 4.15Å
653V89.6Confident90.3Very high49 Ų4970 Ų7030%0.29734%0.342SS..G310 helixtrans-61.1-30.1-178.470.70000112.5N651 Q655 M656 K706N651-V653 VanDerWaalsContact C-N 3.29Å; N651-V653 HydrophobicContact CB-CG1 4.19Å; N651-V653 PolarHBondContact O-N 3.5Å; V653-Q655 PolarHBondContact O-N 3.27Å; V653-Q655 VanDerWaalsContact O-N 3.17Å; V653-M656 VanDerWaalsContact O-CB 3.31Å; V653-M656 WeakPolarHBondContact O-CB 3.48Å; V653-M656 PolarHBondContact O-N 3.16Å; V653-M656 VanDerWaalsContact O-N 3.17Å; V653-K706 HydrophobicContact CG2-CB 4.4Å; V653-K706 HydrophobicContact CG2-CG 3.9Å
654D92.1Very high91Very high74 Ų7467.9 Ų67.940%0.39633%0.326SS..G310 helixtrans-67.4-15.9178.9-53.5-33.9000112.1F649 N651 V652 M656F649-D654 HydrophobicContact CB-CB 4.17Å; F649-D654 HydrophobicContact CD1-CB 3.92Å; F649-D654 WeakPolarHBondContact CD1-O 3.44Å; F649-D654 VanDerWaalsContact CE1-O 3.32Å; F649-D654 WeakPolarHBondContact CE1-O 3.24Å; N651-D654 WeakPolarHBondContact CB-OD2 3.21Å; N651-D654 PolarHBondContact N-OD2 2.71Å; N651-D654 PolarHBondContact ND2-OD2 2.93Å; N651-D654 WeakPolarHBondContact O-CB 3.37Å; N651-D654 PolarHBondContact O-N 2.71Å; V652-D654 PolarHBondContact O-N 2.82Å; D654-M656 VanDerWaalsContact C-N 3.25Å; D654-M656 PolarHBondContact O-N 3Å
655Q93.1Very high91.5Very high16 Ų1663.6 Ų63.68%0.07532%0.317CS..G310 helixtrans-80.5-2.6177.5-54.4175.121.600113.1F649 V652 V653 F658 R659 L717F649-Q655 HydrophobicContact CB-CG 3.77Å; F649-Q655 HydrophobicContact CD1-CG 4.18Å; F649-Q655 HydrophobicContact CD2-CG 3.72Å; F649-Q655 HydrophobicContact CE2-CG 4.35Å; F649-Q655 HydrophobicContact CG-CB 4.49Å; F649-Q655 HydrophobicContact CG-CG 3.61Å; V652-Q655 VanDerWaalsContact O-CB 3.28Å; V652-Q655 WeakPolarHBondContact O-CB 3.48Å; V652-Q655 WeakPolarHBondContact O-CG 3.38Å; V652-Q655 PolarHBondContact O-N 2.82Å; V653-Q655 PolarHBondContact O-N 3.27Å; V653-Q655 VanDerWaalsContact O-N 3.17Å; Q655-F658 PolarHBondContact O-N 2.78Å; Q655-R659 WeakPolarHBondContact O-CG 3.47Å; Q655-R659 PolarHBondContact O-N 2.99Å; Q655-L717 HydrophobicContact CB-CD1 4.01Å
656M93.7Very high91.7Very high24 Ų2460.6 Ų60.612%0.11830%0.302CS..Hα-helixtrans-55.8-56.7-173.9-178.2-76.8-71.900112.2V653 D654 F658 R659 R660 L717 I720 E724V653-M656 VanDerWaalsContact O-CB 3.31Å; V653-M656 WeakPolarHBondContact O-CB 3.48Å; V653-M656 PolarHBondContact O-N 3.16Å; V653-M656 VanDerWaalsContact O-N 3.17Å; D654-M656 VanDerWaalsContact C-N 3.25Å; D654-M656 PolarHBondContact O-N 3Å; M656-F658 VanDerWaalsContact C-N 3.33Å; M656-F658 PolarHBondContact O-N 2.76Å; M656-R659 PolarHBondContact O-N 2.91Å; M656-R660 WeakPolarHBondContact O-CB 3.29Å; M656-R660 PolarHBondContact O-N 3.43Å; M656-L717 HydrophobicContact CB-CD2 3.98Å; M656-I720 HydrophobicContact CG-CG2 3.68Å; M656-E724 HydrophobicContact SD-CG 3.97Å
657E93.5Very high92.2Very high120 Ų12059.4 Ų59.456%0.56130%0.296SS*.Hα-helixtrans-62.6-42.4-176.8-65-173.6159.200111.4R659 R660 D661E657-R659 PolarHBondContact O-N 2.85Å; E657-R660 PolarHBondContact O-N 3.39Å; E657-D661 VanDerWaalsContact O-CG 3.24Å; E657-D661 PolarHBondContact O-N 3.18Å
658F94.6Very high92.7Very high49 Ų4961.2 Ų61.222%0.21530%0.302CS..Hα-helixtrans-56.5-46.9176.1165.5-108.5000112.2H641 E645 L646 F649 Q655 M656 I662H641-F658 AromaticContact CE1-CE1 3.87Å; H641-F658 AromaticContact ND1-CE1 3.53Å; H641-F658 AromaticContact ND1-CZ 3.7Å; E645-F658 HydrophobicContact CB-CZ 4.31Å; L646-F658 HydrophobicContact CD2-CE1 4.49Å; F649-F658 HydrophobicContact CE1-CB 4.25Å; F649-F658 HydrophobicContact CE2-CB 4.37Å; F649-F658 HydrophobicContact CE2-CD1 4.19Å; F649-F658 HydrophobicContact CE2-CG 4.21Å; F649-F658 HydrophobicContact CZ-CB 3.62Å; F649-F658 HydrophobicContact CZ-CD1 4.27Å; F649-F658 HydrophobicContact CZ-CD2 4.49Å; F649-F658 AromaticContact CZ-CG 3.89Å; F649-F658 HydrophobicContact CZ-CG 3.89Å; Q655-F658 PolarHBondContact O-N 2.78Å; M656-F658 VanDerWaalsContact C-N 3.33Å; M656-F658 PolarHBondContact O-N 2.76Å; F658-I662 HydrophobicContact CD1-CD1 4.36Å; F658-I662 HydrophobicContact CD2-CD1 4.08Å; F658-I662 HydrophobicContact CE1-CD1 3.84Å; F658-I662 HydrophobicContact CE2-CD1 3.54Å; F658-I662 HydrophobicContact CE2-CG1 4.47Å; F658-I662 HydrophobicContact CG-CD1 4.47Å; F658-I662 HydrophobicContact CZ-CD1 3.4Å; F658-I662 WeakPolarHBondContact O-CG1 3.48Å; F658-I662 PolarHBondContact O-N 3.04Å
659R94.7Very high92.8Very high1 Ų160.5 Ų60.50%0.00430%0.299CS..Hα-helixtrans-73.6-33.8179.8-66.7-171.3-172.1-135.34.1112.4G619 S622 T623 Q655 M656 E657 I662 L663 L721G619-R659 PolarHBondContact O-NH1 3.29Å; G619-R659 PolarHBondContact O-NH2 3.15Å; S622-R659 PolarHBondContact O-NH1 3.31Å; S622-R659 VanDerWaalsContact O-NH1 3.13Å; T623-R659 PolarHBondContact OG1-NH1 3.37Å; Q655-R659 WeakPolarHBondContact O-CG 3.47Å; Q655-R659 PolarHBondContact O-N 2.99Å; M656-R659 PolarHBondContact O-N 2.91Å; E657-R659 PolarHBondContact O-N 2.85Å; R659-I662 PolarHBondContact O-N 2.63Å; R659-L663 WeakPolarHBondContact O-CG 3.28Å; R659-L663 PolarHBondContact O-N 3.42Å; R659-L663 VanDerWaalsContact O-N 3.15Å; R659-L721 HydrophobicContact CB-CD1 3.96Å; R659-L721 HydrophobicContact CB-CD2 4.06Å
660R95Very high93Very high51 Ų5160.8 Ų60.819%0.19230%0.301CS..Hα-helixtrans-61.6-49174.2-179.1-162.665.8-154.8-7.5111.2M656 E657 I662 L663 L664 L721 E724M656-R660 WeakPolarHBondContact O-CB 3.29Å; M656-R660 PolarHBondContact O-N 3.43Å; E657-R660 PolarHBondContact O-N 3.39Å; R660-I662 PolarHBondContact O-N 3.02Å; R660-L663 WeakPolarHBondContact O-CB 3.19Å; R660-L663 PolarHBondContact O-N 3.15Å; R660-L664 HydrophobicContact CG-CD1 4.15Å; R660-L664 HydrophobicContact CG-CG 4.47Å; R660-L664 PolarHBondContact O-N 2.94Å; R660-L721 HydrophobicContact CB-CD2 3.85Å; R660-E724 VanDerWaalsContact CD-OE2 3.23Å; R660-E724 WeakPolarHBondContact CD-OE2 3.28Å; R660-E724 HydrophobicContact CG-CB 4.13Å; R660-E724 IonicContact CZ-OE2 3.63Å; R660-E724 IonicContact NH1-OE2 2.93Å; R660-E724 PolarHBondContact NH1-OE2 2.92Å; R660-E724 VanDerWaalsContact NH1-OE2 3.07Å
661D94.8Very high93.3Very high85 Ų8555.5 Ų55.546%0.45529%0.293SS..Hα-helixtrans-64.3-34-176.5-67.4-2.7000111.3E657 A665E657-D661 VanDerWaalsContact O-CG 3.24Å; E657-D661 PolarHBondContact O-N 3.18Å; D661-A665 WeakPolarHBondContact O-CB 3.45Å; D661-A665 PolarHBondContact O-N 3.11Å
662I93.8Very high93.6Very high38 Ų3853 Ų5320%0.19528%0.279CS..Hα-helixtrans-62-44.6170.8-75.3173.3000111.8I639 F658 R659 R660 A665 F666I639-I662 HydrophobicContact CB-CG2 4.2Å; I639-I662 HydrophobicContact CD1-CG2 3.38Å; I639-I662 HydrophobicContact CG1-CG2 4.34Å; I639-I662 HydrophobicContact CG2-CG2 3.65Å; F658-I662 HydrophobicContact CD1-CD1 4.36Å; F658-I662 HydrophobicContact CD2-CD1 4.08Å; F658-I662 HydrophobicContact CE1-CD1 3.84Å; F658-I662 HydrophobicContact CE2-CD1 3.54Å; F658-I662 HydrophobicContact CE2-CG1 4.47Å; F658-I662 HydrophobicContact CG-CD1 4.47Å; F658-I662 HydrophobicContact CZ-CD1 3.4Å; F658-I662 WeakPolarHBondContact O-CG1 3.48Å; F658-I662 PolarHBondContact O-N 3.04Å; R659-I662 PolarHBondContact O-N 2.63Å; R660-I662 PolarHBondContact O-N 3.02Å; I662-A665 PolarHBondContact O-N 2.96Å; I662-F666 PolarHBondContact O-N 3.07Å
663L95.4Very high93.8Very high0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-66-43.1178.4-69.3169.6000111.6I616 T623 V625 R659 R660 A665 F666 M667 L721 I725I616-L663 HydrophobicContact CD1-CD1 3.95Å; I616-L663 HydrophobicContact CG1-CD1 4.31Å; I616-L663 HydrophobicContact CG2-CD1 3.79Å; I616-L663 HydrophobicContact CG2-CD2 4.37Å; T623-L663 HydrophobicContact CG2-CD2 4.22Å; V625-L663 HydrophobicContact CB-CD2 3.8Å; V625-L663 HydrophobicContact CG1-CD2 4.27Å; V625-L663 HydrophobicContact CG2-CD2 3.87Å; R659-L663 WeakPolarHBondContact O-CG 3.28Å; R659-L663 PolarHBondContact O-N 3.42Å; R659-L663 VanDerWaalsContact O-N 3.15Å; R660-L663 WeakPolarHBondContact O-CB 3.19Å; R660-L663 PolarHBondContact O-N 3.15Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 3.38Å; L663-F666 WeakPolarHBondContact O-CB 3.44Å; L663-F666 PolarHBondContact O-N 3.14Å; L663-M667 VanDerWaalsContact O-CG 3.31Å; L663-M667 WeakPolarHBondContact O-CG 3.38Å; L663-M667 PolarHBondContact O-N 2.92Å; L663-L721 HydrophobicContact CD1-CB 4.14Å; L663-L721 HydrophobicContact CD1-CD1 4.14Å; L663-L721 HydrophobicContact CD1-CD2 4.21Å; L663-L721 HydrophobicContact CD1-CG 4.39Å; L663-I725 HydrophobicContact CB-CD1 4.29Å
664L95.6Very high93.9Very high51 Ų5154.1 Ų54.127%0.26728%0.284SS..Hα-helixtrans-63.3-38.2175.7-68.6174.6000111.9R660 M667 K668 I725 Q728R660-L664 HydrophobicContact CG-CD1 4.15Å; R660-L664 HydrophobicContact CG-CG 4.47Å; R660-L664 PolarHBondContact O-N 2.94Å; L664-M667 HydrophobicContact CD2-SD 4.43Å; L664-M667 PolarHBondContact O-N 2.93Å; L664-K668 WeakPolarHBondContact O-CB 3.48Å; L664-K668 PolarHBondContact O-N 3.08Å; L664-I725 HydrophobicContact CD2-CD1 3.67Å; L664-I725 HydrophobicContact CG-CD1 4.08Å; L664-Q728 HydrophobicContact CD2-CG 4.48Å
665A94.5Very high93.9Very high61 Ų6157 Ų5750%0.50429%0.294SS..Hα-helixtrans-64.9-4017400000112.2D661 I662 L663 K669D661-A665 WeakPolarHBondContact O-CB 3.45Å; D661-A665 PolarHBondContact O-N 3.11Å; I662-A665 PolarHBondContact O-N 2.96Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 3.38Å; A665-K669 WeakPolarHBondContact O-CB 3.31Å; A665-K669 PolarHBondContact O-N 2.81Å
666F94.5Very high93.8Very high6 Ų661.1 Ų61.13%0.02631%0.313CS..Hα-helixtrans-60.1-51.1172165.9-96.8000111.3L614 V625 K635 Q637 I639 I662 L663 K668 K669 E670 I672L614-F666 HydrophobicContact CD1-CE1 4.43Å; V625-F666 HydrophobicContact CB-CD1 4.48Å; V625-F666 HydrophobicContact CB-CE1 4.35Å; V625-F666 HydrophobicContact CG1-CD1 3.74Å; V625-F666 HydrophobicContact CG1-CD2 4.03Å; V625-F666 HydrophobicContact CG1-CE1 3.73Å; V625-F666 HydrophobicContact CG1-CE2 4Å; V625-F666 HydrophobicContact CG1-CG 3.9Å; V625-F666 HydrophobicContact CG1-CZ 3.85Å; V625-F666 HydrophobicContact CG2-CD1 3.89Å; V625-F666 HydrophobicContact CG2-CE1 3.66Å; V625-F666 HydrophobicContact CG2-CZ 4.4Å; K635-F666 HydrophobicContact CB-CZ 4.2Å; K635-F666 HydrophobicContact CG-CE2 3.85Å; K635-F666 HydrophobicContact CG-CZ 3.73Å; Q637-F666 HydrophobicContact CB-CD2 4.24Å; Q637-F666 HydrophobicContact CB-CE2 3.81Å; Q637-F666 VanDerWaalsContact OE1-CD2 3.29Å; I639-F666 HydrophobicContact CD1-CB 4.3Å; I662-F666 PolarHBondContact O-N 3.07Å; L663-F666 WeakPolarHBondContact O-CB 3.44Å; L663-F666 PolarHBondContact O-N 3.14Å; F666-K668 PolarHBondContact O-N 2.63Å; F666-K669 WeakPolarHBondContact O-CB 3.46Å; F666-K669 PolarHBondContact O-N 2.92Å; F666-K669 VanDerWaalsContact O-N 3.16Å; F666-E670 HydrophobicContact CD2-CG 4.03Å; F666-E670 HydrophobicContact CE2-CG 3.75Å; F666-E670 HydrophobicContact CZ-CG 4.12Å; F666-E670 WeakPolarHBondContact O-CG 3.32Å; F666-E670 PolarHBondContact O-N 3.29Å; F666-I672 HydrophobicContact CE1-CD1 3.92Å; F666-I672 HydrophobicContact CZ-CD1 4.46Å
667M95.6Very high93.8Very high3 Ų360.1 Ų60.12%0.01531%0.308CS..Hα-helixtrans-58.5-47.2180-69.5175.376.600111.7L614 L663 L664 K669 E670 G671 I672 P674 L677 I725L614-M667 HydrophobicContact CD2-CE 4.19Å; L614-M667 HydrophobicContact CD2-CG 4.38Å; L614-M667 HydrophobicContact CD2-SD 3.82Å; L663-M667 VanDerWaalsContact O-CG 3.31Å; L663-M667 WeakPolarHBondContact O-CG 3.38Å; L663-M667 PolarHBondContact O-N 2.92Å; L664-M667 HydrophobicContact CD2-SD 4.43Å; L664-M667 PolarHBondContact O-N 2.93Å; M667-K669 VanDerWaalsContact C-N 3.33Å; M667-K669 PolarHBondContact O-N 3.31Å; M667-E670 PolarHBondContact O-N 2.95Å; M667-G671 PolarHBondContact O-N 2.96Å; M667-I672 HydrophobicContact CB-CB 4.11Å; M667-I672 HydrophobicContact CE-CB 4.45Å; M667-I672 HydrophobicContact CE-CG2 3.79Å; M667-I672 HydrophobicContact CG-CB 4.34Å; M667-I672 HydrophobicContact CG-CG2 4.44Å; M667-I672 PolarHBondContact O-N 2.81Å; M667-P674 HydrophobicContact CE-CB 3.93Å; M667-P674 HydrophobicContact CE-CG 3.5Å; M667-P674 VanDerWaalsContact CE-CG 3.5Å; M667-P674 HydrophobicContact SD-CG 4.41Å; M667-L677 HydrophobicContact CE-CD1 3.82Å; M667-I725 HydrophobicContact CE-CG2 4.07Å; M667-I725 HydrophobicContact SD-CD1 4.03Å; M667-I725 HydrophobicContact SD-CG2 3.99Å
668K94.6Very high93.7Very high185 Ų18555.4 Ų55.480%0.80429%0.286SS*.Hα-helixtrans-60.4-41.1177-176.1177.8-179.21780112.6L664 F666L664-K668 WeakPolarHBondContact O-CB 3.48Å; L664-K668 PolarHBondContact O-N 3.08Å; F666-K668 PolarHBondContact O-N 2.63Å
669K93.7Very high93.8Very high145 Ų14553 Ų5363%0.6328%0.276SS*.Hα-helixtrans-65.4-39.8179.2177.9-171.4167.7-161.80111.8A665 F666 M667 G671A665-K669 WeakPolarHBondContact O-CB 3.31Å; A665-K669 PolarHBondContact O-N 2.81Å; F666-K669 WeakPolarHBondContact O-CB 3.46Å; F666-K669 PolarHBondContact O-N 2.92Å; F666-K669 VanDerWaalsContact O-N 3.16Å; M667-K669 VanDerWaalsContact C-N 3.33Å; M667-K669 PolarHBondContact O-N 3.31Å; K669-G671 VanDerWaalsContact C-N 3.35Å
670E94.1Very high94Very high58 Ų5853 Ų5327%0.27128%0.276SS..Hα-helixtrans-91.72.9-175.9-56.5-64.1150.300112.8K635 F666 M667 I672K635-E670 HydrophobicContact CD-CG 4.48Å; K635-E670 WeakPolarHBondContact CD-OE2 3.44Å; K635-E670 WeakPolarHBondContact CE-OE1 3.5Å; K635-E670 WeakPolarHBondContact CE-OE2 3.43Å; K635-E670 HydrophobicContact CG-CG 4.1Å; K635-E670 IonicContact NZ-OE1 2.67Å; K635-E670 PolarHBondContact NZ-OE1 3.09Å; K635-E670 VanDerWaalsContact NZ-OE1 3.17Å; K635-E670 IonicContact NZ-OE2 2.82Å; K635-E670 PolarHBondContact NZ-OE2 3.38Å; F666-E670 HydrophobicContact CD2-CG 4.03Å; F666-E670 HydrophobicContact CE2-CG 3.75Å; F666-E670 HydrophobicContact CZ-CG 4.12Å; F666-E670 WeakPolarHBondContact O-CG 3.32Å; F666-E670 PolarHBondContact O-N 3.29Å; M667-E670 PolarHBondContact O-N 2.95Å; E670-I672 HydrophobicContact CB-CD1 4.03Å; E670-I672 HydrophobicContact CB-CG1 4.21Å
671G91.3Very high94.1Very high64 Ų6450.6 Ų50.666%0.6627%0.267SS*.THydrogen-bonded Turntrans73.524.8177.300000114.3M667 K669M667-G671 PolarHBondContact O-N 2.96Å; K669-G671 VanDerWaalsContact C-N 3.35Å
672I93.6Very high94.1Very high11 Ų1146.5 Ų46.56%0.05625%0.245CC..  trans-89.8114179.8-55.6165.6000108.3Y627 F666 M667 E670 L677Y627-I672 HydrophobicContact CD1-CD1 3.78Å; Y627-I672 HydrophobicContact CD1-CG1 3.88Å; Y627-I672 HydrophobicContact CD2-CD1 4.11Å; Y627-I672 HydrophobicContact CD2-CG1 4.38Å; Y627-I672 HydrophobicContact CD2-CG2 4.04Å; Y627-I672 HydrophobicContact CE1-CG1 4.12Å; Y627-I672 HydrophobicContact CE2-CG2 3.95Å; Y627-I672 HydrophobicContact CG-CD1 3.56Å; Y627-I672 HydrophobicContact CG-CG1 4.03Å; F666-I672 HydrophobicContact CE1-CD1 3.92Å; F666-I672 HydrophobicContact CZ-CD1 4.46Å; M667-I672 HydrophobicContact CB-CB 4.11Å; M667-I672 HydrophobicContact CE-CB 4.45Å; M667-I672 HydrophobicContact CE-CG2 3.79Å; M667-I672 HydrophobicContact CG-CB 4.34Å; M667-I672 HydrophobicContact CG-CG2 4.44Å; M667-I672 PolarHBondContact O-N 2.81Å; E670-I672 HydrophobicContact CB-CD1 4.03Å; E670-I672 HydrophobicContact CB-CG1 4.21Å; I672-L677 HydrophobicContact CG2-CD2 4.14Å
673D92Very high94.1Very high73 Ų7346.4 Ų46.439%0.3924%0.242SC..  trans-87.1119.9172.6-171.7-17.2000109.6K675 E676D673-K675 PolarHBondContact O-N 3.33Å; D673-K675 VanDerWaalsContact O-N 3.08Å; D673-K675 WeakPolarHBondContact OD1-CB 3.35Å; D673-K675 PolarHBondContact OD1-N 3.48Å; D673-E676 HydrophobicContact CB-CG 4.08Å; D673-E676 PolarHBondContact O-N 2.99Å
674P92.5Very high93.8Very high21 Ų2146.4 Ų46.414%0.13624%0.243CC..G310 helixtrans-51-31.8174.4-21.627.4000113.6M667 E676 L677 Q728 G729M667-P674 HydrophobicContact CE-CB 3.93Å; M667-P674 HydrophobicContact CE-CG 3.5Å; M667-P674 VanDerWaalsContact CE-CG 3.5Å; M667-P674 HydrophobicContact SD-CG 4.41Å; P674-E676 PolarHBondContact O-N 3.31Å; P674-L677 WeakPolarHBondContact O-CB 3.42Å; P674-L677 PolarHBondContact O-N 3.44Å; P674-Q728 HydrophobicContact CB-CB 3.81Å; P674-Q728 HydrophobicContact CG-CB 3.99Å; P674-G729 WeakPolarHBondContact O-CA 3.48Å
675K92Very high93.5Very high136 Ų13644 Ų4459%0.59123%0.23SC*.G310 helixtrans-70.1-16-178.4-64.6-179.6178.3-1790114.2D673 Q728D673-K675 PolarHBondContact O-N 3.33Å; D673-K675 VanDerWaalsContact O-N 3.08Å; D673-K675 WeakPolarHBondContact OD1-CB 3.35Å; D673-K675 PolarHBondContact OD1-N 3.48Å; K675-Q728 WeakPolarHBondContact CG-O 3.33Å
676E89.9Confident93.2Very high102 Ų10241.8 Ų41.848%0.47721%0.211SC..G310 helixtrans-94.7-6.7177.4-63.5-171.9167.700113K612 D673 P674K612-E676 HydrophobicContact CD-CB 4.01Å; K612-E676 WeakPolarHBondContact CD-O 3.44Å; K612-E676 IonicContact NZ-OE2 2.9Å; K612-E676 PolarHBondContact NZ-OE2 3.45Å; D673-E676 HydrophobicContact CB-CG 4.08Å; D673-E676 PolarHBondContact O-N 2.99Å; P674-E676 PolarHBondContact O-N 3.31Å
677L93.4Very high93Very high2 Ų242.1 Ų42.11%0.0121%0.213CC..  trans-74.6134.2179.5-62177.3000110.9K612 L614 Y627 M667 I672 P674 V680 I725 T733K612-L677 HydrophobicContact CB-CD2 4.23Å; L614-L677 HydrophobicContact CB-CD1 3.9Å; L614-L677 HydrophobicContact CB-CD2 4.27Å; L614-L677 HydrophobicContact CD2-CD1 4.3Å; Y627-L677 HydrophobicContact CD2-CD2 4.06Å; Y627-L677 HydrophobicContact CE2-CD2 3.59Å; M667-L677 HydrophobicContact CE-CD1 3.82Å; I672-L677 HydrophobicContact CG2-CD2 4.14Å; P674-L677 WeakPolarHBondContact O-CB 3.42Å; P674-L677 PolarHBondContact O-N 3.44Å; L677-V680 HydrophobicContact CD1-CG2 3.95Å; L677-I725 HydrophobicContact CD1-CG2 4.2Å; L677-T733 HydrophobicContact CB-CG2 4.04Å; L677-T733 WeakPolarHBondContact O-CB 3.47Å; L677-T733 WeakPolarHBondContact O-CG2 3.27Å; L677-T733 PolarHBondContact O-OG1 2.88Å
678D93.1Very high92.8Very high21 Ų2142.8 Ų42.811%0.11222%0.217CC..SBendtrans-82-37.5168.8-59.8-79.4000110.5K609 M611 K612 T733 I734 V952K609-D678 IonicContact NZ-OD1 2.75Å; K609-D678 PolarHBondContact NZ-OD1 3.02Å; M611-D678 VanDerWaalsContact CA-OD2 3.29Å; M611-D678 WeakPolarHBondContact CA-OD2 3.38Å; K612-D678 PolarHBondContact N-OD2 2.99Å; K612-D678 PolarHBondContact O-N 3.22Å; D678-T733 WeakPolarHBondContact O-CA 3.13Å; D678-I734 PolarHBondContact O-N 3.45Å; D678-V952 HydrophobicContact CB-CG1 4.12Å; D678-V952 HydrophobicContact CB-CG2 4.22Å
679A96.4Very high92.6Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-146.6150.6178.400000114.3K612 I613 L614 I734 L736 A948 V952K612-A679 PolarHBondContact O-N 3.03Å; I613-A679 WeakPolarHBondContact CA-O 3.15Å; I613-A679 HydrophobicContact CG1-CB 4.35Å; L614-A679 PolarHBondContact N-O 2.84Å; A679-I734 CarbonylContact C-O 3.36Å; A679-I734 WeakPolarHBondContact CA-O 3.46Å; A679-I734 HydrophobicContact CB-CD1 4.12Å; A679-I734 HydrophobicContact CB-CG1 3.57Å; A679-L736 HydrophobicContact CB-CD2 4.49Å; A679-A948 HydrophobicContact CB-CB 4.01Å; A679-V952 HydrophobicContact CB-CG2 3.86Å
680V97.7Very high92.5Very high0 Ų032.5 Ų32.50%018%0.184CC..EExtended strand (participates in β ladder)trans-121.2116169.8-168.80000109.2L614 I616 L677 A722 I725 T733 I734 A735 L736L614-V680 HydrophobicContact CB-CG1 4.37Å; L614-V680 HydrophobicContact CD2-CG1 4.4Å; L614-V680 CarbonylContact O-C 3.59Å; L614-V680 VanDerWaalsContact O-CA 3.32Å; L614-V680 WeakPolarHBondContact O-CA 3.42Å; I616-V680 HydrophobicContact CD1-CG1 3.55Å; I616-V680 HydrophobicContact CG1-CG1 4.34Å; L677-V680 HydrophobicContact CD1-CG2 3.95Å; V680-A722 HydrophobicContact CB-CB 4.32Å; V680-A722 HydrophobicContact CG1-CB 3.85Å; V680-I725 HydrophobicContact CG1-CB 4.24Å; V680-I725 HydrophobicContact CG1-CG2 4.37Å; V680-I725 HydrophobicContact CG2-CB 4.33Å; V680-I725 HydrophobicContact CG2-CG2 3.9Å; V680-T733 HydrophobicContact CG2-CG2 4.12Å; V680-I734 PolarHBondContact N-O 3.27Å; V680-A735 WeakPolarHBondContact O-CA 3.48Å; V680-L736 PolarHBondContact O-N 2.95Å
681A97.4Very high92.5Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-104.1111.2-176.200000111.3L614 A615 I616 L736 L944 A948L614-A681 PolarHBondContact O-N 2.75Å; A615-A681 CarbonylContact C-O 3.56Å; A615-A681 WeakPolarHBondContact CA-O 3.49Å; I616-A681 PolarHBondContact N-O 3.04Å; A681-L736 CarbonylContact C-O 3.56Å; A681-L736 WeakPolarHBondContact CA-O 3.35Å; A681-L736 HydrophobicContact CB-CD1 4.07Å; A681-L944 HydrophobicContact CB-CB 3.93Å; A681-L944 HydrophobicContact CB-CD2 4.47Å; A681-A948 HydrophobicContact CB-CB 4.1Å
682G95.9Very high92.5Very high0 Ų029.4 Ų29.40%016%0.158CC..EExtended strand (participates in β ladder)trans-93.2147.3174.600000112.5I616 G684 L736 I737 L944I616-G682 CarbonylContact O-C 3.53Å; I616-G682 WeakPolarHBondContact O-CA 3.28Å; G682-G684 PolarHBondContact O-N 3.22Å; G682-L736 PolarHBondContact N-O 2.8Å; G682-I737 VanDerWaalsContact O-CA 3.27Å; G682-I737 WeakPolarHBondContact O-CA 3.48Å; G682-I737 WeakPolarHBondContact O-CB 3.43Å; G682-I737 WeakPolarHBondContact O-CG2 3.27Å; G682-L944 WeakPolarHBondContact O-CD2 3.33Å
683R93.5Very high92.5Very high35 Ų3528.9 Ų28.913%0.13216%0.156CC..EExtended strand (participates in β ladder)trans-62.9133.3165.8-178.4175179153.116110.6I616 N617 G718 E940 L944I616-R683 PolarHBondContact O-N 2.99Å; N617-R683 HydrophobicContact CB-CB 4.49Å; N617-R683 WeakPolarHBondContact OD1-CD 3.34Å; N617-R683 PolarHBondContact OD1-NH1 2.92Å; N617-R683 VanDerWaalsContact OD1-NH1 3.08Å; R683-G718 WeakPolarHBondContact O-CA 3.47Å; R683-E940 IonicContact CZ-OE1 3.53Å; R683-E940 IonicContact CZ-OE2 2.88Å; R683-E940 VanDerWaalsContact NH1-CD 3.29Å; R683-E940 IonicContact NH1-OE1 3.57Å; R683-E940 PolarHBondContact NH1-OE1 3.37Å; R683-E940 IonicContact NH1-OE2 3.39Å; R683-E940 PolarHBondContact NH1-OE2 2.88Å; R683-E940 IonicContact NH2-OE1 3.84Å; R683-E940 PolarHBondContact NH2-OE1 3.37Å; R683-E940 IonicContact NH2-OE2 3.35Å; R683-L944 HydrophobicContact CB-CD1 4.49Å
684G89Confident92.7Very high1 Ų125.4 Ų25.41%0.0114%0.137CC..PPolyproline II helixtrans-64.7139.9175.200000113.9G682G682-G684 PolarHBondContact O-N 3.22Å
685G87.9Confident92.8Very high0 Ų025 Ų250%013%0.133CC..  trans-87.9-166.8177.100000114.1L687 N716G685-L687 VanDerWaalsContact C-N 3.27Å; G685-L687 PolarHBondContact O-N 3.38Å; G685-N716 WeakPolarHBondContact CA-OD1 3.36Å
686S88.3Confident93Very high15 Ų1521.5 Ų21.511%0.10512%0.119CC..SBendtrans-77.275.1173.2-62.50000111.4Y704 T709 I711 N716S686-Y704 WeakPolarHBondContact O-CE1 3.21Å; S686-T709 PolarHBondContact O-OG1 3.43Å; S686-I711 WeakPolarHBondContact OG-CG2 3.25Å; S686-N716 PolarHBondContact N-OD1 3.45Å
687L91.5Very high93.3Very high12 Ų1216.8 Ų16.86%0.06310%0.097CC..PPolyproline II helixtrans-83.5166.5174.2-68.4-179.7000111.3G685 M701 Y704 L705 I737 P740 S742 F961G685-L687 VanDerWaalsContact C-N 3.27Å; G685-L687 PolarHBondContact O-N 3.38Å; L687-M701 HydrophobicContact CD1-CE 4.26Å; L687-M701 HydrophobicContact CD1-CG 4.22Å; L687-M701 HydrophobicContact CD1-SD 4.25Å; L687-M701 HydrophobicContact CD2-CG 3.87Å; L687-Y704 HydrophobicContact CD2-CD1 3.95Å; L687-L705 HydrophobicContact CD2-CD1 4.19Å; L687-L705 HydrophobicContact CD2-CD2 3.63Å; L687-L705 HydrophobicContact CD2-CG 3.73Å; L687-L705 HydrophobicContact CG-CD2 4.16Å; L687-I737 HydrophobicContact CD1-CD1 3.45Å; L687-I737 VanDerWaalsContact CD1-CD1 3.45Å; L687-P740 HydrophobicContact CD1-CB 4.37Å; L687-P740 HydrophobicContact CD1-CG 4.45Å; L687-S742 WeakPolarHBondContact CB-OG 2.94Å; L687-S742 WeakPolarHBondContact O-CB 3.15Å; L687-S742 PolarHBondContact O-OG 3Å; L687-F961 HydrophobicContact CB-CE2 4.34Å; L687-F961 HydrophobicContact CD1-CD2 4.3Å; L687-F961 HydrophobicContact CD1-CE2 4.3Å; L687-F961 HydrophobicContact CD2-CE1 4.46Å; L687-F961 HydrophobicContact CD2-CE2 4.06Å; L687-F961 HydrophobicContact CD2-CZ 3.96Å; L687-F961 HydrophobicContact CG-CE2 4.47Å
688P90.2Very high93.4Very high17 Ų1717.9 Ų17.911%0.1110%0.103CC..SBendtrans-63.9171.2165.326.9-29.9000110.9V690 Y704 S742 F961 P964P688-V690 PolarHBondContact O-N 2.99Å; P688-Y704 HydrophobicContact CG-CE2 4.23Å; P688-S742 WeakPolarHBondContact O-CB 3.37Å; P688-S742 PolarHBondContact O-OG 3.41Å; P688-F961 HydrophobicContact CG-CE2 3.71Å; P688-F961 HydrophobicContact CG-CZ 3.74Å; P688-P964 HydrophobicContact CB-CG 3.73Å; P688-P964 HydrophobicContact CG-CG 3.63Å
689P90.7Very high93.4Very high97 Ų9722.7 Ų22.763%0.6313%0.128SC*.SBendtrans-53.3126176.9-28.236.9000112S742 D744P689-S742 WeakPolarHBondContact CA-O 3.09Å; P689-D744 HydrophobicContact CB-CB 3.79Å
690V92.7Very high93.3Very high18 Ų1825.7 Ų25.711%0.10914%0.144CC..BIsolated β-bridgetrans-137.5156.8178.3-67.60000110.1P688 Y695 P740 S742 V743 D744 F961P688-V690 PolarHBondContact O-N 2.99Å; V690-Y695 HydrophobicContact CB-CE1 4.31Å; V690-Y695 HydrophobicContact CB-CE2 4.29Å; V690-Y695 HydrophobicContact CG1-CE1 4.44Å; V690-Y695 HydrophobicContact CG2-CE2 4.23Å; V690-P740 HydrophobicContact CG2-CG 3.45Å; V690-P740 VanDerWaalsContact CG2-CG 3.45Å; V690-S742 PolarHBondContact N-O 3.36Å; V690-V743 CarbonylContact O-C 3.5Å; V690-V743 VanDerWaalsContact O-CA 3.24Å; V690-V743 WeakPolarHBondContact O-CA 3.29Å; V690-D744 PolarHBondContact O-N 3.47Å; V690-F961 HydrophobicContact CG1-CD2 4.15Å; V690-F961 HydrophobicContact CG1-CE2 4.18Å
691S92.6Very high93.1Very high48 Ų4825.7 Ų25.734%0.33614%0.144SC..  trans-70.9162.2173.165.20000112Y695 K959S691-Y695 WeakPolarHBondContact CA-OH 3.32Å; S691-Y695 PolarHBondContact N-OH 2.89Å; S691-Y695 WeakPolarHBondContact O-CE2 3.47Å; S691-Y695 PolarHBondContact O-OH 3.32Å; S691-Y695 PolarHBondContact OG-OH 2.85Å; S691-K959 PolarHBondContact OG-NZ 2.98Å
692S93Very high92.9Very high8 Ų826.4 Ų26.46%0.05615%0.148CC..SBendtrans-63.6159.9173.864.90000112.8D739 E745 K959S692-D739 WeakPolarHBondContact CA-OD1 3.06Å; S692-D739 WeakPolarHBondContact CB-OD1 3.43Å; S692-E745 VanDerWaalsContact CB-OE1 3.3Å; S692-E745 WeakPolarHBondContact CB-OE1 3.46Å; S692-E745 PolarHBondContact N-OE1 3.47Å; S692-E745 PolarHBondContact OG-OE1 2.94Å; S692-K959 PolarHBondContact O-NZ 3.05Å
693G92.9Very high92.8Very high0 Ų032 Ų320%017%0.17CC..SBendtrans114.5-167.2176.300000115.1D739 E956G693-D739 PolarHBondContact N-OD1 2.82Å; G693-D739 PolarHBondContact O-N 3.25Å; G693-D739 VanDerWaalsContact O-N 3.16Å; G693-E956 WeakPolarHBondContact CA-OE1 3.38Å
694A95.1Very high92.8Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-82.4134.718000000112.3L736 I737 Y738 V951 E956 K959A694-L736 HydrophobicContact CB-CD1 4.46Å; A694-I737 WeakPolarHBondContact CA-O 3.34Å; A694-Y738 HydrophobicContact CB-CD2 3.68Å; A694-Y738 HydrophobicContact CB-CE2 3.85Å; A694-V951 HydrophobicContact CB-CG2 3.46Å; A694-V951 VanDerWaalsContact CB-CG2 3.46Å; A694-E956 PolarHBondContact N-OE1 3.03Å; A694-K959 WeakPolarHBondContact O-CB 3.27Å; A694-K959 PolarHBondContact O-N 2.99Å
695Y96.5Very high93Very high13 Ų1332.4 Ų32.45%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-122.7134.3169.1-68.1-100000110.2V690 S691 L736 I737 K959 F961V690-Y695 HydrophobicContact CB-CE1 4.31Å; V690-Y695 HydrophobicContact CB-CE2 4.29Å; V690-Y695 HydrophobicContact CG1-CE1 4.44Å; V690-Y695 HydrophobicContact CG2-CE2 4.23Å; S691-Y695 WeakPolarHBondContact CA-OH 3.32Å; S691-Y695 PolarHBondContact N-OH 2.89Å; S691-Y695 WeakPolarHBondContact O-CE2 3.47Å; S691-Y695 PolarHBondContact O-OH 3.32Å; S691-Y695 PolarHBondContact OG-OH 2.85Å; Y695-L736 CarbonylContact O-C 3.55Å; Y695-L736 WeakPolarHBondContact O-CA 3.41Å; Y695-L736 WeakPolarHBondContact O-CB 3.35Å; Y695-I737 PolarHBondContact N-O 3.12Å; Y695-I737 PolarHBondContact O-N 3.42Å; Y695-K959 CarbonylContact C-O 3.58Å; Y695-K959 VanDerWaalsContact CA-O 3.23Å; Y695-K959 WeakPolarHBondContact CA-O 3.45Å; Y695-K959 HydrophobicContact CD1-CB 3.61Å; Y695-K959 HydrophobicContact CE1-CB 3.61Å; Y695-K959 HydrophobicContact CE1-CD 3.98Å; Y695-K959 HydrophobicContact CE1-CG 4.44Å; Y695-K959 HydrophobicContact CE2-CD 4.21Å; Y695-K959 HydrophobicContact CG-CB 4.18Å; Y695-F961 HydrophobicContact CD1-CB 4.37Å
696E95.9Very high93.1Very high63 Ų6336 Ų3629%0.29419%0.188SC..EExtended strand (participates in β ladder)trans-62.8137.4170.9-168.4172.9-176.700110.1N698 M701 K726 M958 K959E696-N698 PolarHBondContact O-N 2.68Å; E696-N698 VanDerWaalsContact O-N 3.16Å; E696-M701 VanDerWaalsContact O-CE 3.27Å; E696-M701 WeakPolarHBondContact O-CE 3.24Å; E696-K726 IonicContact OE1-NZ 3.38Å; E696-M958 HydrophobicContact CB-CE 3.74Å; E696-M958 HydrophobicContact CB-CG 3.98Å; E696-M958 HydrophobicContact CB-SD 3.66Å; E696-M958 HydrophobicContact CG-CE 3.82Å; E696-M958 HydrophobicContact CG-SD 4.02Å; E696-K959 PolarHBondContact N-O 3.41Å
697V96.4Very high93.1Very high2 Ų240 Ų401%0.01221%0.208CC..  trans-78.699.6168.9-174.50000109M701 I702 A719 H723 A735 I737V697-M701 HydrophobicContact CG1-SD 4.47Å; V697-M701 HydrophobicContact CG2-SD 4.29Å; V697-I702 HydrophobicContact CG1-CD1 3.98Å; V697-I702 HydrophobicContact CG1-CG1 3.81Å; V697-A719 HydrophobicContact CG1-CB 4.06Å; V697-A719 HydrophobicContact CG2-CB 3.99Å; V697-H723 HydrophobicContact CG1-CB 3.85Å; V697-A735 HydrophobicContact CB-CB 4.08Å; V697-A735 HydrophobicContact CG2-CB 4.25Å; V697-A735 PolarHBondContact N-O 3.1Å; V697-I737 HydrophobicContact CG2-CG2 4.02Å
698N94.3Very high93.1Very high25 Ų2542 Ų4213%0.13422%0.22CC..  trans-106.6174.6175.467.92.7000112.4E696 D700 M701 I702 E960 F961E696-N698 PolarHBondContact O-N 2.68Å; E696-N698 VanDerWaalsContact O-N 3.16Å; N698-D700 VanDerWaalsContact C-N 3.3Å; N698-D700 PolarHBondContact O-N 2.95Å; N698-M701 PolarHBondContact O-N 3.1Å; N698-M701 WeakPolarHBondContact OD1-CB 3.5Å; N698-M701 PolarHBondContact OD1-N 3.11Å; N698-I702 WeakPolarHBondContact O-CG1 3.47Å; N698-I702 PolarHBondContact O-N 2.71Å; N698-I702 VanDerWaalsContact O-N 3.12Å; N698-E960 WeakPolarHBondContact ND2-CG 3.47Å; N698-F961 PolarHBondContact ND2-O 3.03Å; N698-F961 PolarHBondContact OD1-O 2.96Å
699D93.4Very high92.9Very high122 Ų12242.3 Ų42.365%0.65222%0.222SC*.Hα-helixtrans-60.9-37.5-177.9-71.1-22.2000112.8M701 I702 Y703D699-M701 PolarHBondContact O-N 3.25Å; D699-I702 PolarHBondContact O-N 3.27Å; D699-Y703 VanDerWaalsContact O-CB 3.31Å; D699-Y703 WeakPolarHBondContact O-CB 3.39Å; D699-Y703 PolarHBondContact O-N 2.92Å
700D93.6Very high92.5Very high63 Ų6345.9 Ų45.934%0.33723%0.23SC..Hα-helixtrans-60.5-44.6176.7-85.314.1000111.8N698 Y703 Y704 F961N698-D700 VanDerWaalsContact C-N 3.3Å; N698-D700 PolarHBondContact O-N 2.95Å; D700-Y703 PolarHBondContact O-N 3.14Å; D700-Y704 WeakPolarHBondContact O-CB 3.35Å; D700-Y704 PolarHBondContact O-N 3.22Å; D700-F961 HydrophobicContact CB-CD1 4.21Å
701M94.8Very high92Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-64.5-45.2177.5-170.8-173.2-64.900111.1L687 E696 V697 N698 D699 Y704 L705 A719 I737 F961L687-M701 HydrophobicContact CD1-CE 4.26Å; L687-M701 HydrophobicContact CD1-CG 4.22Å; L687-M701 HydrophobicContact CD1-SD 4.25Å; L687-M701 HydrophobicContact CD2-CG 3.87Å; E696-M701 VanDerWaalsContact O-CE 3.27Å; E696-M701 WeakPolarHBondContact O-CE 3.24Å; V697-M701 HydrophobicContact CG1-SD 4.47Å; V697-M701 HydrophobicContact CG2-SD 4.29Å; N698-M701 PolarHBondContact O-N 3.1Å; N698-M701 WeakPolarHBondContact OD1-CB 3.5Å; N698-M701 PolarHBondContact OD1-N 3.11Å; D699-M701 PolarHBondContact O-N 3.25Å; M701-Y704 PolarHBondContact O-N 3.43Å; M701-L705 HydrophobicContact CG-CD1 4Å; M701-L705 WeakPolarHBondContact O-CB 3.43Å; M701-L705 WeakPolarHBondContact O-CG 3.5Å; M701-L705 PolarHBondContact O-N 3.17Å; M701-A719 HydrophobicContact SD-CB 3.82Å; M701-I737 HydrophobicContact CE-CD1 3.68Å; M701-I737 HydrophobicContact CE-CG1 3.88Å; M701-I737 HydrophobicContact SD-CD1 3.67Å; M701-I737 HydrophobicContact SD-CG1 4.02Å; M701-I737 HydrophobicContact SD-CG2 4.24Å; M701-F961 VanDerWaalsContact CA-CD1 3.44Å; M701-F961 HydrophobicContact CB-CB 4.27Å; M701-F961 HydrophobicContact CB-CD1 3.61Å; M701-F961 HydrophobicContact CB-CE1 4.25Å; M701-F961 HydrophobicContact CB-CG 4.09Å; M701-F961 HydrophobicContact CE-CB 3.55Å; M701-F961 HydrophobicContact CE-CG 4.03Å; M701-F961 HydrophobicContact CG-CD1 4.18Å; M701-F961 HydrophobicContact CG-CG 4.37Å
702I93.6Very high91.5Very high15 Ų1552.6 Ų52.68%0.07726%0.257CS..Hα-helixtrans-62.2-45.8178.3-67.1170.7000110.2V697 N698 D699 L705 K706 H723V697-I702 HydrophobicContact CG1-CD1 3.98Å; V697-I702 HydrophobicContact CG1-CG1 3.81Å; N698-I702 WeakPolarHBondContact O-CG1 3.47Å; N698-I702 PolarHBondContact O-N 2.71Å; N698-I702 VanDerWaalsContact O-N 3.12Å; D699-I702 PolarHBondContact O-N 3.27Å; I702-L705 PolarHBondContact O-N 3.29Å; I702-K706 HydrophobicContact CG2-CD 3.87Å; I702-K706 HydrophobicContact CG2-CG 4.45Å; I702-K706 WeakPolarHBondContact O-CB 3.35Å; I702-K706 VanDerWaalsContact O-CG 3.32Å; I702-K706 WeakPolarHBondContact O-CG 3.24Å; I702-K706 PolarHBondContact O-N 2.94Å; I702-H723 HydrophobicContact CD1-CB 3.91Å; I702-H723 VanDerWaalsContact CD1-CG 3.49Å
703Y93Very high91.2Very high119 Ų11955.5 Ų55.547%0.46727%0.27SS..Hα-helixtrans-61.4-45.1177.9179.8-96.8000111.4D699 D700 K706 N707 V708 V966D699-Y703 VanDerWaalsContact O-CB 3.31Å; D699-Y703 WeakPolarHBondContact O-CB 3.39Å; D699-Y703 PolarHBondContact O-N 2.92Å; D700-Y703 PolarHBondContact O-N 3.14Å; Y703-K706 PolarHBondContact O-N 2.83Å; Y703-N707 HydrophobicContact CD2-CB 4.45Å; Y703-N707 VanDerWaalsContact CD2-ND2 3.28Å; Y703-N707 WeakPolarHBondContact CD2-ND2 3.44Å; Y703-N707 HydrophobicContact CE2-CB 4.13Å; Y703-N707 WeakPolarHBondContact O-CB 3.47Å; Y703-N707 PolarHBondContact O-N 2.65Å; Y703-N707 PolarHBondContact O-ND2 3.02Å; Y703-V708 HydrophobicContact CD1-CG2 3.92Å; Y703-V708 HydrophobicContact CE1-CG2 3.65Å; Y703-V966 HydrophobicContact CE1-CG2 4.47Å
704Y93.6Very high90.9Very high36 Ų3656.1 Ų56.114%0.14127%0.274CS..Iπ-helixtrans-61.1-48.3178.9-173.1-82.7000112S686 L687 P688 D700 M701 K706 V708 T709 F961S686-Y704 WeakPolarHBondContact O-CE1 3.21Å; L687-Y704 HydrophobicContact CD2-CD1 3.95Å; P688-Y704 HydrophobicContact CG-CE2 4.23Å; D700-Y704 WeakPolarHBondContact O-CB 3.35Å; D700-Y704 PolarHBondContact O-N 3.22Å; M701-Y704 PolarHBondContact O-N 3.43Å; Y704-K706 VanDerWaalsContact C-N 3.3Å; Y704-K706 PolarHBondContact O-N 3.47Å; Y704-V708 HydrophobicContact CD2-CB 3.64Å; Y704-V708 HydrophobicContact CD2-CG1 3.62Å; Y704-V708 HydrophobicContact CD2-CG2 4.16Å; Y704-V708 HydrophobicContact CE2-CB 3.92Å; Y704-V708 HydrophobicContact CE2-CG1 3.44Å; Y704-V708 VanDerWaalsContact CE2-CG1 3.44Å; Y704-V708 HydrophobicContact CG-CB 4.02Å; Y704-V708 HydrophobicContact CG-CG1 4.45Å; Y704-V708 PolarHBondContact O-N 3.49Å; Y704-T709 PolarHBondContact O-N 2.94Å; Y704-F961 HydrophobicContact CG-CZ 4.31Å
705L92.1Very high90.7Very high7 Ų756.2 Ų56.24%0.03727%0.274CS..Iπ-helixtrans-68.3-27.6-178.7-70.7173.7000113.3L687 M701 I702 T709 N716 A719L687-L705 HydrophobicContact CD2-CD1 4.19Å; L687-L705 HydrophobicContact CD2-CD2 3.63Å; L687-L705 HydrophobicContact CD2-CG 3.73Å; L687-L705 HydrophobicContact CG-CD2 4.16Å; M701-L705 HydrophobicContact CG-CD1 4Å; M701-L705 WeakPolarHBondContact O-CB 3.43Å; M701-L705 WeakPolarHBondContact O-CG 3.5Å; M701-L705 PolarHBondContact O-N 3.17Å; I702-L705 PolarHBondContact O-N 3.29Å; L705-T709 WeakPolarHBondContact O-CG2 3.46Å; L705-N716 HydrophobicContact CB-CB 4.47Å; L705-N716 HydrophobicContact CD2-CB 4.17Å; L705-A719 HydrophobicContact CD1-CB 3.67Å
706K90.5Very high90.4Very high77 Ų7756.1 Ų56.134%0.33528%0.275SS..Iπ-helixtrans-85.1-40177.2-72.9-177.6176.2174.50113.3V653 I702 Y703 Y704 I720V653-K706 HydrophobicContact CG2-CB 4.4Å; V653-K706 HydrophobicContact CG2-CG 3.9Å; I702-K706 HydrophobicContact CG2-CD 3.87Å; I702-K706 HydrophobicContact CG2-CG 4.45Å; I702-K706 WeakPolarHBondContact O-CB 3.35Å; I702-K706 VanDerWaalsContact O-CG 3.32Å; I702-K706 WeakPolarHBondContact O-CG 3.24Å; I702-K706 PolarHBondContact O-N 2.94Å; Y703-K706 PolarHBondContact O-N 2.83Å; Y704-K706 VanDerWaalsContact C-N 3.3Å; Y704-K706 PolarHBondContact O-N 3.47Å; K706-I720 HydrophobicContact CD-CD1 4.35Å; K706-I720 HydrophobicContact CG-CD1 3.68Å
707N89.6Confident90.4Very high99 Ų9953.1 Ų53.153%0.52926%0.261SS..Iπ-helixtrans-124.7-22.1-162.4-54.7-67.3000115.1Y703Y703-N707 HydrophobicContact CD2-CB 4.45Å; Y703-N707 VanDerWaalsContact CD2-ND2 3.28Å; Y703-N707 WeakPolarHBondContact CD2-ND2 3.44Å; Y703-N707 HydrophobicContact CE2-CB 4.13Å; Y703-N707 WeakPolarHBondContact O-CB 3.47Å; Y703-N707 PolarHBondContact O-N 2.65Å; Y703-N707 PolarHBondContact O-ND2 3.02Å
708V89.9Confident90.3Very high53 Ų5353 Ų5332%0.32126%0.26SS..Iπ-helixtrans-103.8-47.2-171.2-176.30000111.5Y703 Y704 Q710Y703-V708 HydrophobicContact CD1-CG2 3.92Å; Y703-V708 HydrophobicContact CE1-CG2 3.65Å; Y704-V708 HydrophobicContact CD2-CB 3.64Å; Y704-V708 HydrophobicContact CD2-CG1 3.62Å; Y704-V708 HydrophobicContact CD2-CG2 4.16Å; Y704-V708 HydrophobicContact CE2-CB 3.92Å; Y704-V708 HydrophobicContact CE2-CG1 3.44Å; Y704-V708 VanDerWaalsContact CE2-CG1 3.44Å; Y704-V708 HydrophobicContact CG-CB 4.02Å; Y704-V708 HydrophobicContact CG-CG1 4.45Å; Y704-V708 PolarHBondContact O-N 3.49Å; V708-Q710 PolarHBondContact O-N 2.9Å; V708-Q710 PolarHBondContact O-NE2 3.47Å; V708-Q710 VanDerWaalsContact O-NE2 3.16Å
709T86.4Confident90.3Very high23 Ų2351.9 Ų51.914%0.14125%0.254CS..  trans-62.4129-178.6-165.70000111.1S686 Y704 L705 I711S686-T709 PolarHBondContact O-OG1 3.43Å; Y704-T709 PolarHBondContact O-N 2.94Å; L705-T709 WeakPolarHBondContact O-CG2 3.46Å; T709-I711 VanDerWaalsContact C-N 3.29Å
710Q82.7Confident90.5Very high172 Ų17246.1 Ų46.180%0.80422%0.223SC*.  trans-88.5-2176.3-58.5-60.4-53.500112V708V708-Q710 PolarHBondContact O-N 2.9Å; V708-Q710 PolarHBondContact O-NE2 3.47Å; V708-Q710 VanDerWaalsContact O-NE2 3.16Å
711I82.3Confident90.6Very high98 Ų9843.1 Ų43.150%0.50321%0.207SC..  trans-98100-179-56.5177.3000108.1S686 T709 H713 N716S686-I711 WeakPolarHBondContact OG-CG2 3.25Å; T709-I711 VanDerWaalsContact C-N 3.29Å; I711-H713 PolarHBondContact O-N 3.44Å; I711-N716 PolarHBondContact O-ND2 2.76Å
712E81.5Confident90.7Very high109 Ų10943.1 Ų43.151%0.50921%0.207SC..  trans-74113.5171.4-74.8-159.5-16700111N651 V652N651-E712 WeakPolarHBondContact CA-OE2 3.3Å; N651-E712 WeakPolarHBondContact CB-OE1 3.28Å; N651-E712 PolarHBondContact OD1-OE1 3.19Å; V652-E712 HydrophobicContact CG2-CB 4.27Å; V652-E712 PolarHBondContact N-OE2 2.8Å; V652-E712 VanDerWaalsContact N-OE2 3.15Å
713H86.2Confident90.9Very high70 Ų7044 Ų4432%0.32421%0.211SC..  trans-144.5139.4175-167.1-95.2000111.2I711 S715 N716I711-H713 PolarHBondContact O-N 3.44Å; H713-S715 WeakPolarHBondContact ND1-CB 3.3Å; H713-S715 PolarHBondContact ND1-N 3.13Å; H713-S715 VanDerWaalsContact ND1-N 3.17Å; H713-S715 PolarHBondContact ND1-OG 2.81Å; H713-S715 PolarHBondContact O-N 3.37Å; H713-S715 VanDerWaalsContact O-N 3.07Å; H713-N716 VanDerWaalsContact O-CB 3.26Å; H713-N716 WeakPolarHBondContact O-CB 3.35Å; H713-N716 VanDerWaalsContact O-CG 3.29Å; H713-N716 PolarHBondContact O-N 2.97Å
714P88Confident91Very high13 Ų1340.4 Ų40.48%0.08420%0.198CC..THydrogen-bonded Turntrans-51.3-31.2177.9-27.931.7000115P618 G619 N716 L717P618-P714 VanDerWaalsContact CG-O 3.29Å; P618-P714 WeakPolarHBondContact CG-O 3.48Å; G619-P714 WeakPolarHBondContact O-CB 3.48Å; P714-N716 PolarHBondContact O-N 3.22Å; P714-L717 WeakPolarHBondContact O-CB 3.24Å; P714-L717 PolarHBondContact O-N 2.9Å
715S89.6Confident91.1Very high1 Ų138.7 Ų38.71%0.00719%0.192CC..THydrogen-bonded Turntrans-63-20.6176.665.80000113.7H713 L717 G718H713-S715 WeakPolarHBondContact ND1-CB 3.3Å; H713-S715 PolarHBondContact ND1-N 3.13Å; H713-S715 VanDerWaalsContact ND1-N 3.17Å; H713-S715 PolarHBondContact ND1-OG 2.81Å; H713-S715 PolarHBondContact O-N 3.37Å; H713-S715 VanDerWaalsContact O-N 3.07Å; S715-L717 PolarHBondContact O-N 2.95Å; S715-G718 PolarHBondContact O-N 2.77Å
716N91.8Very high91.3Very high11 Ų1140.5 Ų40.56%0.05920%0.199CC..Hα-helixtrans-61-26.1172.8-62.6-8.2000111.8G685 S686 L705 I711 H713 P714 G718 I720G685-N716 WeakPolarHBondContact CA-OD1 3.36Å; S686-N716 PolarHBondContact N-OD1 3.45Å; L705-N716 HydrophobicContact CB-CB 4.47Å; L705-N716 HydrophobicContact CD2-CB 4.17Å; I711-N716 PolarHBondContact O-ND2 2.76Å; H713-N716 VanDerWaalsContact O-CB 3.26Å; H713-N716 WeakPolarHBondContact O-CB 3.35Å; H713-N716 VanDerWaalsContact O-CG 3.29Å; H713-N716 PolarHBondContact O-N 2.97Å; P714-N716 PolarHBondContact O-N 3.22Å; N716-G718 VanDerWaalsContact C-N 3.27Å; N716-G718 PolarHBondContact O-N 2.8Å; N716-I720 WeakPolarHBondContact O-CD1 3.35Å
717L94.3Very high91.5Very high1 Ų142.9 Ų42.91%0.00521%0.212CC..Hα-helixtrans-74.6-15.8174.7-60.2176.3000112.7P618 V652 Q655 M656 P714 S715 I720 L721P618-L717 HydrophobicContact CB-CB 4.42Å; P618-L717 HydrophobicContact CG-CB 4.12Å; V652-L717 HydrophobicContact CG1-CD1 4.05Å; V652-L717 HydrophobicContact CG1-CG 4.15Å; Q655-L717 HydrophobicContact CB-CD1 4.01Å; M656-L717 HydrophobicContact CB-CD2 3.98Å; P714-L717 WeakPolarHBondContact O-CB 3.24Å; P714-L717 PolarHBondContact O-N 2.9Å; S715-L717 PolarHBondContact O-N 2.95Å; L717-I720 HydrophobicContact CD2-CD1 4.39Å; L717-I720 PolarHBondContact O-N 3.19Å; L717-L721 HydrophobicContact CB-CD1 3.99Å; L717-L721 HydrophobicContact CB-CG 4.29Å; L717-L721 VanDerWaalsContact O-CB 3.26Å; L717-L721 WeakPolarHBondContact O-CB 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.31Å; L717-L721 PolarHBondContact O-N 3.35Å
718G94.4Very high91.6Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-61.1-51.4-174.500000112.5R683 S715 N716 A722R683-G718 WeakPolarHBondContact O-CA 3.47Å; S715-G718 PolarHBondContact O-N 2.77Å; N716-G718 VanDerWaalsContact C-N 3.27Å; N716-G718 PolarHBondContact O-N 2.8Å; G718-A722 WeakPolarHBondContact O-CB 3.42Å; G718-A722 PolarHBondContact O-N 2.99Å
719A95.3Very high91.6Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-59.5-47.6174.300000111.8V697 M701 L705 L721 A722 H723 I737V697-A719 HydrophobicContact CG1-CB 4.06Å; V697-A719 HydrophobicContact CG2-CB 3.99Å; M701-A719 HydrophobicContact SD-CB 3.82Å; L705-A719 HydrophobicContact CD1-CB 3.67Å; A719-L721 PolarHBondContact O-N 3.39Å; A719-A722 PolarHBondContact O-N 3.46Å; A719-H723 PolarHBondContact O-N 3.33Å; A719-I737 HydrophobicContact CB-CG2 3.61Å
720I96.2Very high91.6Very high2 Ų242.4 Ų42.41%0.0121%0.211CC..Hα-helixtrans-62.8-44.8-176.3-56.9168000110.7M656 K706 N716 L717 H723 E724M656-I720 HydrophobicContact CG-CG2 3.68Å; K706-I720 HydrophobicContact CD-CD1 4.35Å; K706-I720 HydrophobicContact CG-CD1 3.68Å; N716-I720 WeakPolarHBondContact O-CD1 3.35Å; L717-I720 HydrophobicContact CD2-CD1 4.39Å; L717-I720 PolarHBondContact O-N 3.19Å; I720-H723 PolarHBondContact O-N 3.46Å; I720-E724 HydrophobicContact CG2-CG 4.48Å; I720-E724 VanDerWaalsContact O-CG 3.28Å; I720-E724 WeakPolarHBondContact O-CG 3.23Å; I720-E724 PolarHBondContact O-N 3.12Å
721L96.8Very high91.7Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-65.7-39.6177.4-69169.1000111.5I616 P618 R659 R660 L663 L717 A719 H723 E724 I725I616-L721 HydrophobicContact CD1-CB 4.46Å; I616-L721 HydrophobicContact CG2-CB 4.31Å; I616-L721 HydrophobicContact CG2-CD1 4.25Å; P618-L721 HydrophobicContact CB-CD1 4.43Å; P618-L721 HydrophobicContact CG-CD1 4.37Å; R659-L721 HydrophobicContact CB-CD1 3.96Å; R659-L721 HydrophobicContact CB-CD2 4.06Å; R660-L721 HydrophobicContact CB-CD2 3.85Å; L663-L721 HydrophobicContact CD1-CB 4.14Å; L663-L721 HydrophobicContact CD1-CD1 4.14Å; L663-L721 HydrophobicContact CD1-CD2 4.21Å; L663-L721 HydrophobicContact CD1-CG 4.39Å; L717-L721 HydrophobicContact CB-CD1 3.99Å; L717-L721 HydrophobicContact CB-CG 4.29Å; L717-L721 VanDerWaalsContact O-CB 3.26Å; L717-L721 WeakPolarHBondContact O-CB 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.31Å; L717-L721 PolarHBondContact O-N 3.35Å; A719-L721 PolarHBondContact O-N 3.39Å; L721-H723 VanDerWaalsContact C-N 3.3Å; L721-H723 PolarHBondContact O-N 3.34Å; L721-E724 PolarHBondContact O-N 3.09Å; L721-I725 WeakPolarHBondContact O-CG1 3.36Å; L721-I725 PolarHBondContact O-N 2.84Å
722A97.1Very high91.8Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-60.4-42.2175.200000111.6V680 G718 A719 I725 K726 A735V680-A722 HydrophobicContact CB-CB 4.32Å; V680-A722 HydrophobicContact CG1-CB 3.85Å; G718-A722 WeakPolarHBondContact O-CB 3.42Å; G718-A722 PolarHBondContact O-N 2.99Å; A719-A722 PolarHBondContact O-N 3.46Å; A722-I725 PolarHBondContact O-N 2.77Å; A722-K726 WeakPolarHBondContact O-CB 3.31Å; A722-K726 PolarHBondContact O-N 2.73Å; A722-A735 HydrophobicContact CB-CB 4.28Å
723H96.6Very high92.4Very high33 Ų3340.6 Ų40.615%0.15320%0.198CC..Hα-helixtrans-64.5-45.5174.5-17686.2000112.5V697 I702 A719 I720 L721 I725 K726 E727V697-H723 HydrophobicContact CG1-CB 3.85Å; I702-H723 HydrophobicContact CD1-CB 3.91Å; I702-H723 VanDerWaalsContact CD1-CG 3.49Å; A719-H723 PolarHBondContact O-N 3.33Å; I720-H723 PolarHBondContact O-N 3.46Å; L721-H723 VanDerWaalsContact C-N 3.3Å; L721-H723 PolarHBondContact O-N 3.34Å; H723-I725 VanDerWaalsContact C-N 3.27Å; H723-I725 PolarHBondContact O-N 3.29Å; H723-K726 WeakPolarHBondContact O-CB 3.36Å; H723-K726 PolarHBondContact O-N 2.85Å; H723-K726 VanDerWaalsContact O-N 3.09Å; H723-E727 IonicContact CE1-OE1 3.63Å; H723-E727 WeakPolarHBondContact O-CG 3.32Å; H723-E727 PolarHBondContact O-N 3.07Å
724E95.6Very high92.8Very high43 Ų4339 Ų3920%0.20119%0.192CC..Hα-helixtrans-60.5-34.5177.4-68.8-84152.600112.9M656 R660 I720 L721M656-E724 HydrophobicContact SD-CG 3.97Å; R660-E724 VanDerWaalsContact CD-OE2 3.23Å; R660-E724 WeakPolarHBondContact CD-OE2 3.28Å; R660-E724 HydrophobicContact CG-CB 4.13Å; R660-E724 IonicContact CZ-OE2 3.63Å; R660-E724 IonicContact NH1-OE2 2.93Å; R660-E724 PolarHBondContact NH1-OE2 2.92Å; R660-E724 VanDerWaalsContact NH1-OE2 3.07Å; I720-E724 HydrophobicContact CG2-CG 4.48Å; I720-E724 VanDerWaalsContact O-CG 3.28Å; I720-E724 WeakPolarHBondContact O-CG 3.23Å; I720-E724 PolarHBondContact O-N 3.12Å; L721-E724 PolarHBondContact O-N 3.09Å
725I96.3Very high93.3Very high1 Ų138.4 Ų38.41%0.00519%0.188CC..Hα-helixtrans-74.5-39.1173.6-59.9-58.6000111.2L614 I616 L663 L664 M667 L677 V680 L721 A722 H723 E727 Q728 G729L614-I725 HydrophobicContact CD2-CG2 4.06Å; I616-I725 HydrophobicContact CD1-CG1 4.14Å; L663-I725 HydrophobicContact CB-CD1 4.29Å; L664-I725 HydrophobicContact CD2-CD1 3.67Å; L664-I725 HydrophobicContact CG-CD1 4.08Å; M667-I725 HydrophobicContact CE-CG2 4.07Å; M667-I725 HydrophobicContact SD-CD1 4.03Å; M667-I725 HydrophobicContact SD-CG2 3.99Å; L677-I725 HydrophobicContact CD1-CG2 4.2Å; V680-I725 HydrophobicContact CG1-CB 4.24Å; V680-I725 HydrophobicContact CG1-CG2 4.37Å; V680-I725 HydrophobicContact CG2-CB 4.33Å; V680-I725 HydrophobicContact CG2-CG2 3.9Å; L721-I725 WeakPolarHBondContact O-CG1 3.36Å; L721-I725 PolarHBondContact O-N 2.84Å; A722-I725 PolarHBondContact O-N 2.77Å; H723-I725 VanDerWaalsContact C-N 3.27Å; H723-I725 PolarHBondContact O-N 3.29Å; I725-E727 VanDerWaalsContact C-N 3.28Å; I725-E727 PolarHBondContact O-N 2.8Å; I725-Q728 WeakPolarHBondContact O-CB 3.36Å; I725-Q728 PolarHBondContact O-N 3.44Å; I725-G729 PolarHBondContact O-N 3.48Å
726K95.3Very high93.7Very high45 Ų4538.3 Ų38.320%0.19619%0.187CC..Hα-helixtrans-56.1-41.1173163.6-174.2178.9-175.30111.9E696 A722 H723 Q728 G729 T733 A735E696-K726 IonicContact OE1-NZ 3.38Å; A722-K726 WeakPolarHBondContact O-CB 3.31Å; A722-K726 PolarHBondContact O-N 2.73Å; H723-K726 WeakPolarHBondContact O-CB 3.36Å; H723-K726 PolarHBondContact O-N 2.85Å; H723-K726 VanDerWaalsContact O-N 3.09Å; K726-Q728 PolarHBondContact O-N 3.41Å; K726-Q728 VanDerWaalsContact O-N 3.14Å; K726-G729 WeakPolarHBondContact O-CA 3.26Å; K726-G729 PolarHBondContact O-N 3.49Å; K726-T733 WeakPolarHBondContact CE-O 3.35Å; K726-T733 WeakPolarHBondContact CG-O 3.41Å; K726-A735 HydrophobicContact CB-CB 3.8Å; K726-A735 HydrophobicContact CD-CB 3.59Å; K726-A735 HydrophobicContact CG-CB 4.28Å
727E94.9Very high93.9Very high127 Ų12737.8 Ų37.859%0.59319%0.185SC*.THydrogen-bonded Turntrans-62.7-19.1178.4-71.9-61.8113.600113.4H723 I725H723-E727 IonicContact CE1-OE1 3.63Å; H723-E727 WeakPolarHBondContact O-CG 3.32Å; H723-E727 PolarHBondContact O-N 3.07Å; I725-E727 VanDerWaalsContact C-N 3.28Å; I725-E727 PolarHBondContact O-N 2.8Å
728Q92.8Very high93.9Very high101 Ų10137.9 Ų37.947%0.47219%0.185SC..THydrogen-bonded Turntrans-91-9.9171.9-58.2-65.9-22.300112.8L664 P674 K675 I725 K726L664-Q728 HydrophobicContact CD2-CG 4.48Å; P674-Q728 HydrophobicContact CB-CB 3.81Å; P674-Q728 HydrophobicContact CG-CB 3.99Å; K675-Q728 WeakPolarHBondContact CG-O 3.33Å; I725-Q728 WeakPolarHBondContact O-CB 3.36Å; I725-Q728 PolarHBondContact O-N 3.44Å; K726-Q728 PolarHBondContact O-N 3.41Å; K726-Q728 VanDerWaalsContact O-N 3.14Å
729G89.1Confident93.8Very high17 Ų1738.1 Ų38.118%0.17519%0.186CC..SBendtrans-82.1-161.2-17600000114.1P674 I725 K726P674-G729 WeakPolarHBondContact O-CA 3.48Å; I725-G729 PolarHBondContact O-N 3.48Å; K726-G729 WeakPolarHBondContact O-CA 3.26Å; K726-G729 PolarHBondContact O-N 3.49Å
730S86.8Confident93.6Very high46 Ų4638.2 Ų38.232%0.32219%0.187SC..  trans-92.7166.6172.475.20000110.5K732 T733S730-K732 PolarHBondContact O-N 3.46Å; S730-K732 PolarHBondContact OG-N 3.06Å; S730-T733 PolarHBondContact N-OG1 2.77Å; S730-T733 WeakPolarHBondContact O-CB 3.14Å; S730-T733 PolarHBondContact O-N 3.19Å; S730-T733 PolarHBondContact O-OG1 3.25Å; S730-T733 PolarHBondContact OG-N 3.07Å; S730-T733 PolarHBondContact OG-OG1 3.03Å
731E84.7Confident93.3Very high210 Ų21039.6 Ų39.698%0.98120%0.195SC*.THydrogen-bonded Turntrans-58-18172.5-67-179.7173.300113.4
732K85.5Confident92.9Very high128 Ų12840 Ų4056%0.55720%0.198SC*.THydrogen-bonded Turntrans-87.4-16.2177-60.5-175.7178.5-174.20113.2S730 I734S730-K732 PolarHBondContact O-N 3.46Å; S730-K732 PolarHBondContact OG-N 3.06Å; K732-I734 PolarHBondContact O-N 3.24Å
733T93Very high92.8Very high3 Ų340.1 Ų40.12%0.01820%0.199CC..  trans-71.9118.8-177.4-54.50000108.8L677 D678 V680 K726 S730L677-T733 HydrophobicContact CB-CG2 4.04Å; L677-T733 WeakPolarHBondContact O-CB 3.47Å; L677-T733 WeakPolarHBondContact O-CG2 3.27Å; L677-T733 PolarHBondContact O-OG1 2.88Å; D678-T733 WeakPolarHBondContact O-CA 3.13Å; V680-T733 HydrophobicContact CG2-CG2 4.12Å; K726-T733 WeakPolarHBondContact CE-O 3.35Å; K726-T733 WeakPolarHBondContact CG-O 3.41Å; S730-T733 PolarHBondContact N-OG1 2.77Å; S730-T733 WeakPolarHBondContact O-CB 3.14Å; S730-T733 PolarHBondContact O-N 3.19Å; S730-T733 PolarHBondContact O-OG1 3.25Å; S730-T733 PolarHBondContact OG-N 3.07Å; S730-T733 PolarHBondContact OG-OG1 3.03Å
734I95.4Very high92.7Very high37 Ų3739.8 Ų39.819%0.1920%0.198CC..EExtended strand (participates in β ladder)trans-94.9151.1176.664.2174.9000111.2D678 A679 V680 K732 L736 V951 V952 M958D678-I734 PolarHBondContact O-N 3.45Å; A679-I734 CarbonylContact C-O 3.36Å; A679-I734 WeakPolarHBondContact CA-O 3.46Å; A679-I734 HydrophobicContact CB-CD1 4.12Å; A679-I734 HydrophobicContact CB-CG1 3.57Å; V680-I734 PolarHBondContact N-O 3.27Å; K732-I734 PolarHBondContact O-N 3.24Å; I734-L736 HydrophobicContact CD1-CD2 3.84Å; I734-L736 HydrophobicContact CG1-CD2 4.29Å; I734-V951 HydrophobicContact CD1-CB 4.49Å; I734-V951 HydrophobicContact CD1-CG1 3.62Å; I734-V952 HydrophobicContact CD1-CG2 4.26Å; I734-M958 HydrophobicContact CD1-SD 4.33Å
735A97.4Very high92.6Very high0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-118127.5170.300000107.8V680 V697 A722 K726V680-A735 WeakPolarHBondContact O-CA 3.48Å; V697-A735 HydrophobicContact CB-CB 4.08Å; V697-A735 HydrophobicContact CG2-CB 4.25Å; V697-A735 PolarHBondContact N-O 3.1Å; A722-A735 HydrophobicContact CB-CB 4.28Å; K726-A735 HydrophobicContact CB-CB 3.8Å; K726-A735 HydrophobicContact CD-CB 3.59Å; K726-A735 HydrophobicContact CG-CB 4.28Å
736L97.5Very high92.6Very high0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-138.9159-17964.795.2000111.2A679 V680 A681 G682 A694 Y695 I734 A948 V951 M958A679-L736 HydrophobicContact CB-CD2 4.49Å; V680-L736 PolarHBondContact O-N 2.95Å; A681-L736 CarbonylContact C-O 3.56Å; A681-L736 WeakPolarHBondContact CA-O 3.35Å; A681-L736 HydrophobicContact CB-CD1 4.07Å; G682-L736 PolarHBondContact N-O 2.8Å; A694-L736 HydrophobicContact CB-CD1 4.46Å; Y695-L736 CarbonylContact O-C 3.55Å; Y695-L736 WeakPolarHBondContact O-CA 3.41Å; Y695-L736 WeakPolarHBondContact O-CB 3.35Å; I734-L736 HydrophobicContact CD1-CD2 3.84Å; I734-L736 HydrophobicContact CG1-CD2 4.29Å; L736-A948 HydrophobicContact CD1-CB 4.27Å; L736-A948 HydrophobicContact CD2-CB 3.89Å; L736-A948 HydrophobicContact CG-CB 4.46Å; L736-V951 HydrophobicContact CD2-CB 4.39Å; L736-V951 HydrophobicContact CD2-CG1 4.48Å; L736-V951 HydrophobicContact CD2-CG2 4.45Å; L736-M958 HydrophobicContact CB-SD 4.27Å
737I96.3Very high92.5Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-108.9160.5159.162.7167.1000109.7G682 L687 A694 Y695 V697 M701 A719 P740G682-I737 VanDerWaalsContact O-CA 3.27Å; G682-I737 WeakPolarHBondContact O-CA 3.48Å; G682-I737 WeakPolarHBondContact O-CB 3.43Å; G682-I737 WeakPolarHBondContact O-CG2 3.27Å; L687-I737 HydrophobicContact CD1-CD1 3.45Å; L687-I737 VanDerWaalsContact CD1-CD1 3.45Å; A694-I737 WeakPolarHBondContact CA-O 3.34Å; Y695-I737 PolarHBondContact N-O 3.12Å; Y695-I737 PolarHBondContact O-N 3.42Å; V697-I737 HydrophobicContact CG2-CG2 4.02Å; M701-I737 HydrophobicContact CE-CD1 3.68Å; M701-I737 HydrophobicContact CE-CG1 3.88Å; M701-I737 HydrophobicContact SD-CD1 3.67Å; M701-I737 HydrophobicContact SD-CG1 4.02Å; M701-I737 HydrophobicContact SD-CG2 4.24Å; A719-I737 HydrophobicContact CB-CG2 3.61Å; I737-P740 HydrophobicContact CD1-CB 4.26Å; I737-P740 HydrophobicContact CD1-CG 4.27Å
738Y94.1Very high92.5Very high3 Ų342.6 Ų42.61%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-133.4134177.3-154.9-94.1000110.1A694 L767 R770 G947 R950 E956A694-Y738 HydrophobicContact CB-CD2 3.68Å; A694-Y738 HydrophobicContact CB-CE2 3.85Å; Y738-L767 HydrophobicContact CD1-CD1 3.98Å; Y738-R770 PolarHBondContact OH-NH1 3.31Å; Y738-G947 VanDerWaalsContact CE2-CA 3.44Å; Y738-R950 PolarHBondContact OH-NH2 3.04Å; Y738-E956 PolarHBondContact OH-OE1 3.02Å; Y738-E956 PolarHBondContact OH-OE2 3.38Å
739D92.9Very high92.6Very high5 Ų543 Ų433%0.02722%0.221CC..SBendtrans41.165.1176.4-70-30.4000114.3S692 G693 V743 L767 R770S692-D739 WeakPolarHBondContact CA-OD1 3.06Å; S692-D739 WeakPolarHBondContact CB-OD1 3.43Å; G693-D739 PolarHBondContact N-OD1 2.82Å; G693-D739 PolarHBondContact O-N 3.25Å; G693-D739 VanDerWaalsContact O-N 3.16Å; D739-V743 HydrophobicContact CB-CG2 4.35Å; D739-L767 HydrophobicContact CB-CB 4.13Å; D739-L767 HydrophobicContact CB-CD1 4.01Å; D739-L767 WeakPolarHBondContact O-CB 3.11Å; D739-L767 PolarHBondContact O-N 3.03Å; D739-R770 VanDerWaalsContact CG-NH1 3.33Å; D739-R770 IonicContact OD1-CZ 3.49Å; D739-R770 IonicContact OD1-NH1 3.17Å; D739-R770 PolarHBondContact OD1-NH1 2.84Å; D739-R770 WeakPolarHBondContact OD2-CD 3.39Å; D739-R770 IonicContact OD2-CZ 2.7Å; D739-R770 IonicContact OD2-NH1 3.93Å; D739-R770 PolarHBondContact OD2-NH1 2.94Å
740P92.1Very high93Very high2 Ų242.6 Ų42.61%0.01322%0.216CC..  trans-56.7162.7178.224.6-33.8000112.4L687 V690 I737 S742 V743L687-P740 HydrophobicContact CD1-CB 4.37Å; L687-P740 HydrophobicContact CD1-CG 4.45Å; V690-P740 HydrophobicContact CG2-CG 3.45Å; V690-P740 VanDerWaalsContact CG2-CG 3.45Å; I737-P740 HydrophobicContact CD1-CB 4.26Å; I737-P740 HydrophobicContact CD1-CG 4.27Å; P740-S742 PolarHBondContact O-N 2.86Å; P740-V743 HydrophobicContact CG-CG2 4.21Å; P740-V743 VanDerWaalsContact O-CG2 3.29Å; P740-V743 WeakPolarHBondContact O-CG2 3.36Å; P740-V743 PolarHBondContact O-N 2.81Å; P740-V743 VanDerWaalsContact O-N 3.08Å
741V88.6Confident93.3Very high30 Ų3042.6 Ų42.618%0.18221%0.209CC..THydrogen-bonded Turntrans-61.7-14.2178.4-62.50000114I763 G764V741-I763 WeakPolarHBondContact O-CA 3.48Å; V741-G764 PolarHBondContact O-N 2.83Å
742S89.9Confident93.9Very high9 Ų938.6 Ų38.66%0.06319%0.193CC..THydrogen-bonded Turntrans-98.516.9178.7640000113.9L687 P688 P689 V690 P740 D744L687-S742 WeakPolarHBondContact CB-OG 2.94Å; L687-S742 WeakPolarHBondContact O-CB 3.15Å; L687-S742 PolarHBondContact O-OG 3Å; P688-S742 WeakPolarHBondContact O-CB 3.37Å; P688-S742 PolarHBondContact O-OG 3.41Å; P689-S742 WeakPolarHBondContact CA-O 3.09Å; V690-S742 PolarHBondContact N-O 3.36Å; P740-S742 PolarHBondContact O-N 2.86Å; S742-D744 PolarHBondContact O-N 3.28Å; S742-D744 VanDerWaalsContact O-N 3.14Å
743V93.4Very high94.2Very high3 Ų335 Ų352%0.01818%0.184CC..BIsolated β-bridgetrans-55.5119.7169.2167.30000109V690 D739 P740 E745 S762 A766V690-V743 CarbonylContact O-C 3.5Å; V690-V743 VanDerWaalsContact O-CA 3.24Å; V690-V743 WeakPolarHBondContact O-CA 3.29Å; D739-V743 HydrophobicContact CB-CG2 4.35Å; P740-V743 HydrophobicContact CG-CG2 4.21Å; P740-V743 VanDerWaalsContact O-CG2 3.29Å; P740-V743 WeakPolarHBondContact O-CG2 3.36Å; P740-V743 PolarHBondContact O-N 2.81Å; P740-V743 VanDerWaalsContact O-N 3.08Å; V743-E745 HydrophobicContact CG1-CG 4.25Å; V743-S762 WeakPolarHBondContact O-CB 3.48Å; V743-S762 PolarHBondContact O-OG 3.03Å; V743-A766 HydrophobicContact CB-CB 3.84Å; V743-A766 HydrophobicContact CG2-CB 4.16Å
744D94.4Very high94.3Very high26 Ų2638.4 Ų38.414%0.13922%0.22CC..  trans-127.7105.8-178.5-170-24.1000109.7P689 V690 S742 F746 R751P689-D744 HydrophobicContact CB-CB 3.79Å; V690-D744 PolarHBondContact O-N 3.47Å; S742-D744 PolarHBondContact O-N 3.28Å; S742-D744 VanDerWaalsContact O-N 3.14Å; D744-F746 WeakPolarHBondContact OD1-CB 3.16Å; D744-F746 PolarHBondContact OD1-N 2.97Å; D744-F746 VanDerWaalsContact OD1-N 3.13Å; D744-R751 IonicContact OD1-CZ 2.64Å; D744-R751 IonicContact OD1-NH1 3.67Å; D744-R751 PolarHBondContact OD1-NH1 2.99Å; D744-R751 IonicContact OD1-NH2 3.56Å; D744-R751 PolarHBondContact OD1-NH2 3.41Å; D744-R751 IonicContact OD2-CZ 3.55Å; D744-R751 IonicContact OD2-NH1 3.14Å; D744-R751 PolarHBondContact OD2-NH1 2.99Å; D744-R751 IonicContact OD2-NH2 2.7Å; D744-R751 PolarHBondContact OD2-NH2 3.31Å
745E95Very high94.2Very high32 Ų3242.1 Ų42.115%0.1524%0.239CC..  trans-123.721.8174.6-60.2178.6146.400110.4S692 V743 K807 M808 I809S692-E745 VanDerWaalsContact CB-OE1 3.3Å; S692-E745 WeakPolarHBondContact CB-OE1 3.46Å; S692-E745 PolarHBondContact N-OE1 3.47Å; S692-E745 PolarHBondContact OG-OE1 2.94Å; V743-E745 HydrophobicContact CG1-CG 4.25Å; E745-K807 HydrophobicContact CB-CB 4.35Å; E745-K807 VanDerWaalsContact OE2-CA 3.28Å; E745-K807 WeakPolarHBondContact OE2-CA 3.39Å; E745-M808 CarbonylContact C-O 3.55Å; E745-M808 WeakPolarHBondContact CB-O 3.19Å; E745-M808 PolarHBondContact OE2-N 3.3Å; E745-I809 WeakPolarHBondContact O-CA 3.18Å
746F95.1Very high94Very high12 Ų1252.2 Ų52.25%0.05328%0.283CS..  trans-59.5140.1-178.4-85.318.6000111.3D744 A750 R751 R760 S762 I809 L811D744-F746 WeakPolarHBondContact OD1-CB 3.16Å; D744-F746 PolarHBondContact OD1-N 2.97Å; D744-F746 VanDerWaalsContact OD1-N 3.13Å; F746-A750 HydrophobicContact CB-CB 4.38Å; F746-A750 HydrophobicContact CD2-CB 4.06Å; F746-A750 HydrophobicContact CG-CB 4.28Å; F746-R751 HydrophobicContact CB-CG 4.44Å; F746-R760 HydrophobicContact CE2-CB 4.41Å; F746-S762 VanDerWaalsContact CE1-CB 3.48Å; F746-S762 WeakPolarHBondContact CE1-OG 3.45Å; F746-I809 WeakPolarHBondContact CA-O 3.43Å; F746-L811 HydrophobicContact CE1-CB 3.76Å; F746-L811 VanDerWaalsContact CE1-N 3.33Å; F746-L811 HydrophobicContact CZ-CB 3.86Å; F746-L811 HydrophobicContact CZ-CD2 4.45Å
747E94.4Very high93.7Very high94 Ų9456 Ų5644%0.43932%0.322SS..  trans-67.6146.6161.4-70.6-172.4155.700110.3V749 A750 I809E747-V749 HydrophobicContact CB-CG1 4.08Å; E747-V749 PolarHBondContact O-N 2.91Å; E747-A750 WeakPolarHBondContact O-CA 3.47Å; E747-A750 VanDerWaalsContact O-CB 3.3Å; E747-A750 WeakPolarHBondContact O-CB 3.26Å; E747-A750 PolarHBondContact O-N 3.43Å; E747-I809 HydrophobicContact CG-CB 4.21Å; E747-I809 PolarHBondContact N-O 2.8Å; E747-I809 VanDerWaalsContact N-O 3.12Å
748E94.7Very high93.4Very high137 Ų13761 Ų6164%0.6435%0.347SS*.G310 helixtrans-56-31.8-178.4-70.2-58.4119.400113A750 R751E748-A750 VanDerWaalsContact C-N 3.3Å; E748-A750 PolarHBondContact O-N 3.22Å; E748-R751 WeakPolarHBondContact O-CB 3.44Å; E748-R751 PolarHBondContact O-N 3.16Å; E748-R751 IonicContact OE1-CZ 3.72Å; E748-R751 IonicContact OE1-NE 3.43Å; E748-R751 PolarHBondContact OE1-NE 2.86Å; E748-R751 IonicContact OE2-NE 3.03Å
749V95.4Very high93.4Very high109 Ų10967 Ų6766%0.66138%0.376SS*.G310 helixtrans-64.9-34175.468.90000112.4E747 R751 I752E747-V749 HydrophobicContact CB-CG1 4.08Å; E747-V749 PolarHBondContact O-N 2.91Å; V749-R751 PolarHBondContact O-N 3.34Å; V749-I752 PolarHBondContact O-N 2.8Å
750A95.8Very high93.4Very high8 Ų868.7 Ų68.77%0.06638%0.382CS..G310 helixtrans-70.5-19.1179.600000112.6F746 E747 E748 R760 D810F746-A750 HydrophobicContact CB-CB 4.38Å; F746-A750 HydrophobicContact CD2-CB 4.06Å; F746-A750 HydrophobicContact CG-CB 4.28Å; E747-A750 WeakPolarHBondContact O-CA 3.47Å; E747-A750 VanDerWaalsContact O-CB 3.3Å; E747-A750 WeakPolarHBondContact O-CB 3.26Å; E747-A750 PolarHBondContact O-N 3.43Å; E748-A750 VanDerWaalsContact C-N 3.3Å; E748-A750 PolarHBondContact O-N 3.22Å; A750-R760 WeakPolarHBondContact O-CB 3.31Å; A750-R760 VanDerWaalsContact O-CD 3.31Å; A750-R760 WeakPolarHBondContact O-CD 2.85Å; A750-R760 PolarHBondContact O-NH1 3.04Å; A750-D810 HydrophobicContact CB-CB 4.2Å
751R94.8Very high93.3Very high47 Ų4775.4 Ų75.418%0.17741%0.411CS..G310 helixtrans-74.5-24.1178.7-58.7-174.3-177.2-68.6-12.2113.3D744 F746 E748 V749 S753 E759 R760D744-R751 IonicContact OD1-CZ 2.64Å; D744-R751 IonicContact OD1-NH1 3.67Å; D744-R751 PolarHBondContact OD1-NH1 2.99Å; D744-R751 IonicContact OD1-NH2 3.56Å; D744-R751 PolarHBondContact OD1-NH2 3.41Å; D744-R751 IonicContact OD2-CZ 3.55Å; D744-R751 IonicContact OD2-NH1 3.14Å; D744-R751 PolarHBondContact OD2-NH1 2.99Å; D744-R751 IonicContact OD2-NH2 2.7Å; D744-R751 PolarHBondContact OD2-NH2 3.31Å; F746-R751 HydrophobicContact CB-CG 4.44Å; E748-R751 WeakPolarHBondContact O-CB 3.44Å; E748-R751 PolarHBondContact O-N 3.16Å; E748-R751 IonicContact OE1-CZ 3.72Å; E748-R751 IonicContact OE1-NE 3.43Å; E748-R751 PolarHBondContact OE1-NE 2.86Å; E748-R751 IonicContact OE2-NE 3.03Å; V749-R751 PolarHBondContact O-N 3.34Å; R751-S753 PolarHBondContact O-N 3.02Å; R751-E759 WeakPolarHBondContact O-CA 3.44Å; R751-R760 PolarHBondContact O-N 3.23Å
752I95.6Very high93.5Very high126 Ų12674.2 Ų74.265%0.64640%0.404SS*.BIsolated β-bridgetrans-74.3109.5-172.9-53.6-58.3000110.6V749V749-I752 PolarHBondContact O-N 2.8Å
753S93.1Very high93.4Very high52 Ų5278 Ų7836%0.36442%0.422SS..  trans-81.8-16.6-177.973.40000115.1R751 L755 I758R751-S753 PolarHBondContact O-N 3.02Å; S753-L755 PolarHBondContact OG-N 3.48Å; S753-L755 PolarHBondContact OG-O 2.92Å; S753-I758 VanDerWaalsContact CB-O 3.25Å; S753-I758 WeakPolarHBondContact CB-O 3.32Å; S753-I758 PolarHBondContact OG-O 3.4Å
754G93.6Very high93Very high75 Ų7578.3 Ų78.377%0.77343%0.427SS*.SBendtrans99.2-9.1-170.100000115.1
755L93.6Very high92.7Very high114 Ų11478.9 Ų78.960%0.59743%0.428SS*.SBendtrans-126.9121.1170.7-177.264.8000111S753 G757 I758S753-L755 PolarHBondContact OG-N 3.48Å; S753-L755 PolarHBondContact OG-O 2.92Å; L755-G757 PolarHBondContact O-N 2.98Å; L755-I758 HydrophobicContact CD2-CD1 3.89Å; L755-I758 HydrophobicContact CD2-CG1 4.37Å; L755-I758 PolarHBondContact O-N 3.08Å; L755-I758 VanDerWaalsContact O-N 3.09Å
756K93.4Very high92.5Very high213 Ų21377.5 Ų77.593%0.92642%0.423SS*.THydrogen-bonded Turntrans-56.7126.3176.2-175.3176.2-178.5176.40110.4
757G91.5Very high92.4Very high79 Ų7977.2 Ų77.281%0.81442%0.422SS*.THydrogen-bonded Turntrans99.1-6.1-178.400000114.8L755L755-G757 PolarHBondContact O-N 2.98Å
758I90.9Very high92.2Very high104 Ų10472.8 Ų72.853%0.53340%0.401SS..  trans-120.5122.4168.5-56.6-174.6000107.1S753 L755S753-I758 VanDerWaalsContact CB-O 3.25Å; S753-I758 WeakPolarHBondContact CB-O 3.32Å; S753-I758 PolarHBondContact OG-O 3.4Å; L755-I758 HydrophobicContact CD2-CD1 3.89Å; L755-I758 HydrophobicContact CD2-CG1 4.37Å; L755-I758 PolarHBondContact O-N 3.08Å; L755-I758 VanDerWaalsContact O-N 3.09Å
759E92.3Very high92.2Very high130 Ų13066.2 Ų66.261%0.60737%0.37SS*.BIsolated β-bridgetrans-112.1147176.9-68.8178.6171.500109.8R751R751-E759 WeakPolarHBondContact O-CA 3.44Å
760R93.8Very high92.1Very high40 Ų4062.1 Ų62.115%0.15134%0.343CS..  trans-68.3141.9166.3-60.6-174.960-127.24.1108.5F746 A750 R751 D810 L811 E816F746-R760 HydrophobicContact CE2-CB 4.41Å; A750-R760 WeakPolarHBondContact O-CB 3.31Å; A750-R760 VanDerWaalsContact O-CD 3.31Å; A750-R760 WeakPolarHBondContact O-CD 2.85Å; A750-R760 PolarHBondContact O-NH1 3.04Å; R751-R760 PolarHBondContact O-N 3.23Å; R760-D810 IonicContact CZ-OD1 3.79Å; R760-D810 IonicContact NH1-OD1 3.66Å; R760-D810 PolarHBondContact NH1-OD1 3.39Å; R760-D810 IonicContact NH1-OD2 3.43Å; R760-D810 IonicContact NH2-OD1 2.59Å; R760-D810 PolarHBondContact NH2-OD1 3.08Å; R760-L811 PolarHBondContact NH2-O 3.04Å; R760-E816 WeakPolarHBondContact CG-OE1 3.35Å; R760-E816 IonicContact CZ-OE2 2.84Å; R760-E816 IonicContact NE-OE1 3.12Å; R760-E816 PolarHBondContact NE-OE1 3.1Å; R760-E816 IonicContact NE-OE2 3.93Å; R760-E816 PolarHBondContact NE-OE2 2.89Å; R760-E816 IonicContact NH2-OE2 2.67Å; R760-E816 PolarHBondContact NH2-OE2 2.85Å
761K90.3Very high91.9Very high143 Ų14362.6 Ų62.662%0.62235%0.347SS*.  trans-120.8136.6-176-63.1-173.5179.3-176.10110.7I763K761-I763 HydrophobicContact CB-CD1 4.1Å; K761-I763 HydrophobicContact CB-CG1 4.12Å; K761-I763 HydrophobicContact CD-CD1 4.28Å; K761-I763 PolarHBondContact O-N 3.14Å
762S91.6Very high91.8Very high6 Ų660.3 Ų60.34%0.04234%0.338CS..  trans-76.588.2171.3-169.20000109.9V743 F746V743-S762 WeakPolarHBondContact O-CB 3.48Å; V743-S762 PolarHBondContact O-OG 3.03Å; F746-S762 VanDerWaalsContact CE1-CB 3.48Å; F746-S762 WeakPolarHBondContact CE1-OG 3.45Å
763I87.9Confident91.8Very high87 Ų8754.3 Ų54.345%0.44631%0.307SS..  trans-132.5120.3175.7-58.5177.2000108.5V741 K761V741-I763 WeakPolarHBondContact O-CA 3.48Å; K761-I763 HydrophobicContact CB-CD1 4.1Å; K761-I763 HydrophobicContact CB-CG1 4.12Å; K761-I763 HydrophobicContact CD-CD1 4.28Å; K761-I763 PolarHBondContact O-N 3.14Å
764G86Confident91.8Very high11 Ų1154.7 Ų54.711%0.11330%0.304CS..SBendtrans-175.7-161.5-178.700000114.3V741 A766V741-G764 PolarHBondContact O-N 2.83Å; G764-A766 PolarHBondContact O-N 3.32Å
765H88.1Confident91.6Very high37 Ų3753.8 Ų53.817%0.17128%0.279CS..  trans-84.748.8-177.9-59.888.6000112L767 N768 M769 H793 T799H765-L767 PolarHBondContact O-N 2.92Å; H765-N768 PolarHBondContact O-N 2.95Å; H765-M769 HydrophobicContact CB-CG 4.24Å; H765-M769 HydrophobicContact CB-SD 4.21Å; H765-M769 VanDerWaalsContact O-CG 3.29Å; H765-M769 WeakPolarHBondContact O-CG 3.41Å; H765-M769 PolarHBondContact O-N 3.26Å; H765-H793 HydrophobicContact CB-CB 4.38Å; H765-H793 AromaticContact CD2-CD2 3.83Å; H765-H793 AromaticContact CD2-NE2 3.63Å; H765-H793 AromaticContact CE1-CD2 3.65Å; H765-H793 AromaticContact CE1-NE2 3.96Å; H765-H793 AromaticContact CG-CD2 3.52Å; H765-H793 AromaticContact CG-CG 3.94Å; H765-H793 AromaticContact CG-NE2 3.79Å; H765-H793 AromaticContact ND1-CD2 3.4Å; H765-H793 PolarHBondContact ND1-CD2 3Å; H765-H793 AromaticContact ND1-NE2 3.99Å; H765-H793 AromaticContact NE2-CD2 3.94Å; H765-H793 AromaticContact NE2-NE2 3.78Å; H765-T799 PolarHBondContact ND1-OG1 3.49Å
766A91.5Very high91.7Very high4 Ų448.3 Ų48.33%0.03325%0.25CS..Hα-helixtrans-52.7-47.3-167.600000113.8V743 G764 N768 M769 R770 M808V743-A766 HydrophobicContact CB-CB 3.84Å; V743-A766 HydrophobicContact CG2-CB 4.16Å; G764-A766 PolarHBondContact O-N 3.32Å; A766-N768 PolarHBondContact O-N 2.99Å; A766-M769 PolarHBondContact O-N 2.89Å; A766-R770 WeakPolarHBondContact O-CB 3.28Å; A766-R770 PolarHBondContact O-N 3.27Å; A766-M808 HydrophobicContact CB-CE 4.1Å
767L91.6Very high91.7Very high6 Ų638.2 Ų38.23%0.03121%0.207CC..Hα-helixtrans-50.7-52.5174.7-179.264.7000112.9Y738 D739 H765 A771 E940 A943 L944Y738-L767 HydrophobicContact CD1-CD1 3.98Å; D739-L767 HydrophobicContact CB-CB 4.13Å; D739-L767 HydrophobicContact CB-CD1 4.01Å; D739-L767 WeakPolarHBondContact O-CB 3.11Å; D739-L767 PolarHBondContact O-N 3.03Å; H765-L767 PolarHBondContact O-N 2.92Å; L767-A771 WeakPolarHBondContact O-CB 3.46Å; L767-A771 PolarHBondContact O-N 3.42Å; L767-A771 VanDerWaalsContact O-N 3.14Å; L767-E940 HydrophobicContact CD2-CB 3.88Å; L767-E940 HydrophobicContact CD2-CG 4.12Å; L767-A943 HydrophobicContact CD1-CB 3.57Å; L767-A943 HydrophobicContact CG-CB 4.01Å; L767-L944 HydrophobicContact CD1-CD2 4.37Å; L767-L944 HydrophobicContact CD2-CD2 4.11Å; L767-L944 HydrophobicContact CD2-CG 4.04Å
768N91.2Very high91.5Very high0 Ų043 Ų430%020%0.2CC..Hα-helixtrans-70.2-41.1-178.4-172.978.1000111.6H765 A766 V772 H793 T909 E938 H939 E940H765-N768 PolarHBondContact O-N 2.95Å; A766-N768 PolarHBondContact O-N 2.99Å; N768-V772 WeakPolarHBondContact O-CB 3.25Å; N768-V772 VanDerWaalsContact O-CG2 3.26Å; N768-V772 WeakPolarHBondContact O-CG2 3.44Å; N768-V772 PolarHBondContact O-N 2.86Å; N768-H793 PolarHBondContact ND2-ND1 3.28Å; N768-T909 WeakPolarHBondContact ND2-CG2 3.18Å; N768-T909 PolarHBondContact ND2-OG1 3.49Å; N768-T909 VanDerWaalsContact ND2-OG1 3.14Å; N768-E938 WeakPolarHBondContact OD1-CA 3.31Å; N768-H939 PolarHBondContact OD1-N 2.94Å; N768-E940 HydrophobicContact CB-CG 4.22Å
769M93.4Very high91.5Very high0 Ų043.2 Ų43.20%020%0.199CC..Hα-helixtrans-68-45.3-175.5-64.517488.100111.5H765 A766 V772 A773 V791 H793 T799 S801 M808 L811H765-M769 HydrophobicContact CB-CG 4.24Å; H765-M769 HydrophobicContact CB-SD 4.21Å; H765-M769 VanDerWaalsContact O-CG 3.29Å; H765-M769 WeakPolarHBondContact O-CG 3.41Å; H765-M769 PolarHBondContact O-N 3.26Å; A766-M769 PolarHBondContact O-N 2.89Å; M769-V772 PolarHBondContact O-N 2.57Å; M769-A773 WeakPolarHBondContact O-CB 3.48Å; M769-A773 PolarHBondContact O-N 3.09Å; M769-V791 HydrophobicContact CB-CB 4.36Å; M769-V791 HydrophobicContact CB-CG1 4.03Å; M769-V791 HydrophobicContact CE-CB 4.35Å; M769-V791 WeakPolarHBondContact CE-O 3.48Å; M769-V791 HydrophobicContact CG-CG1 4.17Å; M769-H793 HydrophobicContact CG-CB 4.05Å; M769-H793 HydrophobicContact SD-CB 4.37Å; M769-T799 WeakPolarHBondContact CE-O 3.37Å; M769-S801 VanDerWaalsContact CE-CB 3.46Å; M769-S801 WeakPolarHBondContact CE-OG 3.06Å; M769-M808 HydrophobicContact CB-CE 4.34Å; M769-L811 HydrophobicContact SD-CD1 4.35Å
770R93.3Very high91.5Very high22 Ų2240.8 Ų40.88%0.08319%0.188CC..Hα-helixtrans-66.3-41.4175.9-174.5162.2176.2-110.24111.8Y738 D739 A766 V772 A773 M774Y738-R770 PolarHBondContact OH-NH1 3.31Å; D739-R770 VanDerWaalsContact CG-NH1 3.33Å; D739-R770 IonicContact OD1-CZ 3.49Å; D739-R770 IonicContact OD1-NH1 3.17Å; D739-R770 PolarHBondContact OD1-NH1 2.84Å; D739-R770 WeakPolarHBondContact OD2-CD 3.39Å; D739-R770 IonicContact OD2-CZ 2.7Å; D739-R770 IonicContact OD2-NH1 3.93Å; D739-R770 PolarHBondContact OD2-NH1 2.94Å; A766-R770 WeakPolarHBondContact O-CB 3.28Å; A766-R770 PolarHBondContact O-N 3.27Å; R770-V772 VanDerWaalsContact C-N 3.35Å; R770-V772 PolarHBondContact O-N 3.24Å; R770-A773 WeakPolarHBondContact O-CB 3.31Å; R770-A773 PolarHBondContact O-N 2.93Å; R770-M774 HydrophobicContact CG-SD 4.29Å; R770-M774 WeakPolarHBondContact O-CG 3.33Å; R770-M774 PolarHBondContact O-N 3.2Å
771A92.1Very high91.2Very high18 Ų1842.4 Ų42.415%0.14922%0.216CC..Hα-helixtrans-60.6-42.8175.800000112.8L767 K775 H939 A943L767-A771 WeakPolarHBondContact O-CB 3.46Å; L767-A771 PolarHBondContact O-N 3.42Å; L767-A771 VanDerWaalsContact O-N 3.14Å; A771-K775 VanDerWaalsContact O-CB 3.31Å; A771-K775 WeakPolarHBondContact O-CB 3.34Å; A771-K775 PolarHBondContact O-N 3.06Å; A771-H939 HydrophobicContact CB-CB 4.44Å; A771-A943 HydrophobicContact CB-CB 3.52Å
772V94.1Very high91.2Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-67.5-40.6175.5169.90000111.1N768 M769 R770 M774 K775 V776 V791 A907 T909 V935N768-V772 WeakPolarHBondContact O-CB 3.25Å; N768-V772 VanDerWaalsContact O-CG2 3.26Å; N768-V772 WeakPolarHBondContact O-CG2 3.44Å; N768-V772 PolarHBondContact O-N 2.86Å; M769-V772 PolarHBondContact O-N 2.57Å; R770-V772 VanDerWaalsContact C-N 3.35Å; R770-V772 PolarHBondContact O-N 3.24Å; V772-M774 PolarHBondContact O-N 3Å; V772-K775 PolarHBondContact O-N 2.99Å; V772-V776 HydrophobicContact CG1-CG2 4.16Å; V772-V776 WeakPolarHBondContact O-CB 3.35Å; V772-V776 WeakPolarHBondContact O-CG2 3.39Å; V772-V776 PolarHBondContact O-N 2.78Å; V772-V791 HydrophobicContact CB-CG1 4.38Å; V772-V791 HydrophobicContact CG1-CG1 4.21Å; V772-A907 HydrophobicContact CG1-CB 3.7Å; V772-T909 HydrophobicContact CG1-CG2 4.49Å; V772-T909 HydrophobicContact CG2-CG2 4.14Å; V772-T909 WeakPolarHBondContact CG2-OG1 3.46Å; V772-V935 HydrophobicContact CG1-CB 4.03Å; V772-V935 HydrophobicContact CG1-CG1 4.39Å; V772-V935 HydrophobicContact CG1-CG2 4.07Å; V772-V935 HydrophobicContact CG2-CG1 4.2Å
773A95.2Very high91.1Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-58.9-47.3175.900000111.8M769 R770 A777 Y784 V791M769-A773 WeakPolarHBondContact O-CB 3.48Å; M769-A773 PolarHBondContact O-N 3.09Å; R770-A773 WeakPolarHBondContact O-CB 3.31Å; R770-A773 PolarHBondContact O-N 2.93Å; A773-A777 WeakPolarHBondContact O-CB 3.22Å; A773-A777 PolarHBondContact O-N 3.38Å; A773-Y784 HydrophobicContact CB-CD2 4.11Å; A773-Y784 HydrophobicContact CB-CE2 3.56Å; A773-V791 HydrophobicContact CB-CG2 3.92Å
774M91.7Very high91.3Very high59 Ų5938 Ų3829%0.29120%0.199SC..Hα-helixtrans-64.3-41.4176.9-68.7175.670.800112R770 V772 A777 R778 Y784R770-M774 HydrophobicContact CG-SD 4.29Å; R770-M774 WeakPolarHBondContact O-CG 3.33Å; R770-M774 PolarHBondContact O-N 3.2Å; V772-M774 PolarHBondContact O-N 3Å; M774-A777 PolarHBondContact O-N 2.89Å; M774-R778 WeakPolarHBondContact O-CB 3.5Å; M774-R778 PolarHBondContact O-N 2.77Å; M774-Y784 HydrophobicContact CG-CD1 3.73Å; M774-Y784 HydrophobicContact CG-CD2 4.39Å; M774-Y784 HydrophobicContact CG-CE1 3.97Å; M774-Y784 HydrophobicContact CG-CG 3.95Å
775K91Very high91.7Very high56 Ų5642.3 Ų42.324%0.24322%0.216CC..Hα-helixtrans-62.1-50.6177.2179.1-178.2171.7-173.50111.5A771 V772 A777 R778 E779 V935A771-K775 VanDerWaalsContact O-CB 3.31Å; A771-K775 WeakPolarHBondContact O-CB 3.34Å; A771-K775 PolarHBondContact O-N 3.06Å; V772-K775 PolarHBondContact O-N 2.99Å; K775-A777 VanDerWaalsContact C-N 3.33Å; K775-A777 PolarHBondContact O-N 2.81Å; K775-R778 PolarHBondContact O-N 2.74Å; K775-E779 VanDerWaalsContact CE-CD 3.43Å; K775-E779 WeakPolarHBondContact CE-OE1 3.35Å; K775-E779 WeakPolarHBondContact CE-OE2 3.34Å; K775-E779 HydrophobicContact CG-CG 4.4Å; K775-E779 IonicContact NZ-OE1 3.91Å; K775-E779 WeakPolarHBondContact O-CB 3.39Å; K775-E779 WeakPolarHBondContact O-CG 3.24Å; K775-E779 PolarHBondContact O-N 3.17Å; K775-V935 HydrophobicContact CD-CG1 4.08Å
776V94Very high91.9Very high0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-62.6-42.4179.4170.80000110.5V772 R778 E779 E780 L789 R905 A907 V933 V935V772-V776 HydrophobicContact CG1-CG2 4.16Å; V772-V776 WeakPolarHBondContact O-CB 3.35Å; V772-V776 WeakPolarHBondContact O-CG2 3.39Å; V772-V776 PolarHBondContact O-N 2.78Å; V776-R778 PolarHBondContact O-N 2.99Å; V776-E779 PolarHBondContact O-N 2.91Å; V776-E780 HydrophobicContact CG1-CG 4.1Å; V776-E780 VanDerWaalsContact O-CB 3.25Å; V776-E780 WeakPolarHBondContact O-CB 3.36Å; V776-E780 VanDerWaalsContact O-CG 3.24Å; V776-E780 WeakPolarHBondContact O-CG 3.34Å; V776-E780 PolarHBondContact O-N 3.37Å; V776-L789 HydrophobicContact CB-CD2 4.17Å; V776-L789 HydrophobicContact CG1-CD2 3.91Å; V776-R905 HydrophobicContact CG1-CB 4.04Å; V776-R905 HydrophobicContact CG1-CG 4.13Å; V776-A907 HydrophobicContact CG2-CB 3.97Å; V776-V933 HydrophobicContact CG1-CB 4.21Å; V776-V933 HydrophobicContact CG1-CG1 4.46Å; V776-V933 HydrophobicContact CG1-CG2 4.04Å; V776-V933 HydrophobicContact CG2-CB 4.25Å; V776-V933 HydrophobicContact CG2-CG1 4Å; V776-V935 HydrophobicContact CG2-CG2 3.64Å
777A93.2Very high92.1Very high1 Ų147.6 Ų47.61%0.00824%0.24CC..Hα-helixtrans-57.1-51.3175.700000110.9A773 M774 K775 E779 E780 G781 L782A773-A777 WeakPolarHBondContact O-CB 3.22Å; A773-A777 PolarHBondContact O-N 3.38Å; M774-A777 PolarHBondContact O-N 2.89Å; K775-A777 VanDerWaalsContact C-N 3.33Å; K775-A777 PolarHBondContact O-N 2.81Å; A777-E779 PolarHBondContact O-N 3.44Å; A777-E780 PolarHBondContact O-N 3.48Å; A777-G781 PolarHBondContact O-N 3Å; A777-L782 CarbonylContact C-O 3.53Å; A777-L782 HydrophobicContact CB-CB 4.19Å; A777-L782 CarbonylContact O-C 3.55Å; A777-L782 WeakPolarHBondContact O-CA 3.42Å; A777-L782 PolarHBondContact O-N 2.96Å
778R88.7Confident92.4Very high178 Ų17847.8 Ų47.867%0.67224%0.242SC*.Hα-helixtrans-60.6-46.4179.1-174.3-178.264.5178.72.7113.4M774 K775 V776 E780 G781M774-R778 WeakPolarHBondContact O-CB 3.5Å; M774-R778 PolarHBondContact O-N 2.77Å; K775-R778 PolarHBondContact O-N 2.74Å; V776-R778 PolarHBondContact O-N 2.99Å; R778-E780 VanDerWaalsContact C-N 3.3Å; R778-E780 PolarHBondContact O-N 3.4Å; R778-G781 PolarHBondContact O-N 2.8Å
779E90.6Very high92.7Very high109 Ų10947.8 Ų47.851%0.50924%0.242SC..Hα-helixtrans-69.4-28.3-177.9-73.4176.917700112.7K775 V776 A777K775-E779 VanDerWaalsContact CE-CD 3.43Å; K775-E779 WeakPolarHBondContact CE-OE1 3.35Å; K775-E779 WeakPolarHBondContact CE-OE2 3.34Å; K775-E779 HydrophobicContact CG-CG 4.4Å; K775-E779 IonicContact NZ-OE1 3.91Å; K775-E779 WeakPolarHBondContact O-CB 3.39Å; K775-E779 WeakPolarHBondContact O-CG 3.24Å; K775-E779 PolarHBondContact O-N 3.17Å; V776-E779 PolarHBondContact O-N 2.91Å; A777-E779 PolarHBondContact O-N 3.44Å
780E92Very high93Very high80 Ų8047.8 Ų47.837%0.37424%0.242SC..THydrogen-bonded Turntrans-92.55.8178.1-63.7-73.7125.600113.1V776 A777 R778 L782 R905 V933V776-E780 HydrophobicContact CG1-CG 4.1Å; V776-E780 VanDerWaalsContact O-CB 3.25Å; V776-E780 WeakPolarHBondContact O-CB 3.36Å; V776-E780 VanDerWaalsContact O-CG 3.24Å; V776-E780 WeakPolarHBondContact O-CG 3.34Å; V776-E780 PolarHBondContact O-N 3.37Å; A777-E780 PolarHBondContact O-N 3.48Å; R778-E780 VanDerWaalsContact C-N 3.3Å; R778-E780 PolarHBondContact O-N 3.4Å; E780-L782 VanDerWaalsContact C-N 3.26Å; E780-L782 HydrophobicContact CB-CD1 4.18Å; E780-L782 HydrophobicContact CB-CG 4.13Å; E780-L782 PolarHBondContact O-N 2.94Å; E780-R905 HydrophobicContact CG-CG 4.44Å; E780-R905 IonicContact OE2-CZ 3.58Å; E780-R905 IonicContact OE2-NE 2.78Å; E780-R905 PolarHBondContact OE2-NE 3.16Å; E780-R905 IonicContact OE2-NH2 3.61Å; E780-R905 PolarHBondContact OE2-NH2 3.05Å; E780-V933 HydrophobicContact CG-CG2 4.46Å
781G87.8Confident93.2Very high73 Ų7346.7 Ų46.775%0.75324%0.238SC*.THydrogen-bonded Turntrans67.723.3-177.900000114.3A777 R778A777-G781 PolarHBondContact O-N 3Å; R778-G781 PolarHBondContact O-N 2.8Å
782L89.8Confident93.4Very high48 Ų4845.9 Ų45.925%0.25123%0.231SC..  trans-97.2152.2176.3-58.5174.7000111.1A777 E780 D904 R905A777-L782 CarbonylContact C-O 3.53Å; A777-L782 HydrophobicContact CB-CB 4.19Å; A777-L782 CarbonylContact O-C 3.55Å; A777-L782 WeakPolarHBondContact O-CA 3.42Å; A777-L782 PolarHBondContact O-N 2.96Å; E780-L782 VanDerWaalsContact C-N 3.26Å; E780-L782 HydrophobicContact CB-CD1 4.18Å; E780-L782 HydrophobicContact CB-CG 4.13Å; E780-L782 PolarHBondContact O-N 2.94Å; L782-D904 HydrophobicContact CD1-CB 3.96Å; L782-R905 HydrophobicContact CD1-CG 3.98Å
783D90.4Very high93.4Very high80 Ų8046.2 Ų46.243%0.42823%0.232SC..  trans-95.2116.4169.91791.7000110.5Q785 H786 S787D783-Q785 PolarHBondContact O-N 3.41Å; D783-Q785 VanDerWaalsContact O-N 3.11Å; D783-Q785 PolarHBondContact OD1-N 2.99Å; D783-H786 HydrophobicContact CB-CB 4.4Å; D783-H786 CarbonylContact O-C 3.5Å; D783-H786 PolarHBondContact O-N 3.4Å; D783-H786 IonicContact OD2-CE1 3.98Å; D783-H786 PolarHBondContact OD2-CE1 3.39Å; D783-H786 IonicContact OD2-CG 3.09Å; D783-H786 IonicContact OD2-ND1 2.71Å; D783-H786 PolarHBondContact OD2-ND1 3.04Å; D783-S787 WeakPolarHBondContact O-CB 3.31Å; D783-S787 PolarHBondContact O-N 2.97Å; D783-S787 PolarHBondContact O-OG 3.2Å
784Y92.6Very high93.4Very high15 Ų1546.2 Ų46.26%0.05923%0.232CC..THydrogen-bonded Turntrans-53.2-33.4178.5179.2-118.4000113.5A773 M774 H786 L789 H803 G806A773-Y784 HydrophobicContact CB-CD2 4.11Å; A773-Y784 HydrophobicContact CB-CE2 3.56Å; M774-Y784 HydrophobicContact CG-CD1 3.73Å; M774-Y784 HydrophobicContact CG-CD2 4.39Å; M774-Y784 HydrophobicContact CG-CE1 3.97Å; M774-Y784 HydrophobicContact CG-CG 3.95Å; Y784-H786 VanDerWaalsContact C-N 3.26Å; Y784-H786 PolarHBondContact O-N 3.44Å; Y784-L789 HydrophobicContact CD2-CD1 4.19Å; Y784-H803 HydrophobicContact CE2-CB 4.02Å; Y784-H803 AromaticContact CZ-ND1 3.95Å; Y784-H803 PolarHBondContact OH-ND1 2.87Å; Y784-G806 PolarHBondContact O-N 2.92Å; Y784-G806 PolarHBondContact OH-O 3.03Å
785Q92.9Very high93.3Very high102 Ų10243.8 Ų43.848%0.47722%0.223SC..THydrogen-bonded Turntrans-73.3-18.1179.6-60.5-60.2-26.200113.1D783 K805D783-Q785 PolarHBondContact O-N 3.41Å; D783-Q785 VanDerWaalsContact O-N 3.11Å; D783-Q785 PolarHBondContact OD1-N 2.99Å; Q785-K805 CarbonylContact O-C 3.48Å; Q785-K805 WeakPolarHBondContact O-CA 3.48Å; Q785-K805 WeakPolarHBondContact O-CB 3.38Å
786H93.3Very high93Very high144 Ų14442.6 Ų42.667%0.66723%0.227SC*.THydrogen-bonded Turntrans-116.9-4.9-178.3-65.299.7000114D783 Y784D783-H786 HydrophobicContact CB-CB 4.4Å; D783-H786 CarbonylContact O-C 3.5Å; D783-H786 PolarHBondContact O-N 3.4Å; D783-H786 IonicContact OD2-CE1 3.98Å; D783-H786 PolarHBondContact OD2-CE1 3.39Å; D783-H786 IonicContact OD2-CG 3.09Å; D783-H786 IonicContact OD2-ND1 2.71Å; D783-H786 PolarHBondContact OD2-ND1 3.04Å; Y784-H786 VanDerWaalsContact C-N 3.26Å; Y784-H786 PolarHBondContact O-N 3.44Å
787S95.5Very high92.7Very high8 Ų842.8 Ų42.86%0.05623%0.228CC..  trans-100.4164.9-178.2-70.20000114.4D783 K805 D904D783-S787 WeakPolarHBondContact O-CB 3.31Å; D783-S787 PolarHBondContact O-N 2.97Å; D783-S787 PolarHBondContact O-OG 3.2Å; S787-K805 PolarHBondContact O-N 3.07Å; S787-D904 VanDerWaalsContact CA-OD2 3.24Å; S787-D904 WeakPolarHBondContact CA-OD2 3.46Å; S787-D904 VanDerWaalsContact CB-OD2 3.31Å; S787-D904 WeakPolarHBondContact CB-OD2 3.3Å
788T97.7Very high92.7Very high10 Ų1042.7 Ų42.76%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-118.8118.4172.2-500000110.2I802 H803 Y804 L902 D904T788-I802 HydrophobicContact CG2-CD1 4.04Å; T788-I802 HydrophobicContact CG2-CG1 4.18Å; T788-H803 CarbonylContact C-O 3.37Å; T788-H803 VanDerWaalsContact CA-O 3.24Å; T788-H803 WeakPolarHBondContact CA-O 3.39Å; T788-Y804 HydrophobicContact CG2-CD2 3.95Å; T788-Y804 WeakPolarHBondContact OG1-CD2 3.46Å; T788-L902 WeakPolarHBondContact CB-O 3.48Å; T788-L902 VanDerWaalsContact CG2-O 3.27Å; T788-L902 WeakPolarHBondContact CG2-O 3.39Å; T788-D904 PolarHBondContact N-OD2 3.46Å; T788-D904 WeakPolarHBondContact O-CB 3.34Å; T788-D904 PolarHBondContact O-N 3.27Å
789L98Very high93Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-126.4142.5-179.9-60.595.1000110.8V776 Y784 H803 R905V776-L789 HydrophobicContact CB-CD2 4.17Å; V776-L789 HydrophobicContact CG1-CD2 3.91Å; Y784-L789 HydrophobicContact CD2-CD1 4.19Å; L789-H803 PolarHBondContact N-O 3.05Å; L789-H803 PolarHBondContact O-N 2.93Å; L789-R905 WeakPolarHBondContact CA-O 3.45Å; L789-R905 HydrophobicContact CD2-CB 4.13Å
790I98.2Very high93.3Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-103.5128.5165.6-63.6174.1000108.1I800 S801 I802 I892 L895 A896 V903 R905 I906 A907I790-I800 HydrophobicContact CG2-CG2 3.75Å; I790-S801 CarbonylContact C-O 3.56Å; I790-S801 VanDerWaalsContact CA-O 3.31Å; I790-S801 WeakPolarHBondContact CA-O 3.49Å; I790-I802 HydrophobicContact CG1-CB 4.34Å; I790-I802 HydrophobicContact CG1-CD1 4.37Å; I790-I802 HydrophobicContact CG1-CG1 4.19Å; I790-I892 HydrophobicContact CD1-CG2 4.13Å; I790-I892 HydrophobicContact CG2-CB 4.48Å; I790-I892 HydrophobicContact CG2-CG1 4.25Å; I790-I892 HydrophobicContact CG2-CG2 4.01Å; I790-L895 HydrophobicContact CD1-CB 4.25Å; I790-A896 HydrophobicContact CD1-CB 3.91Å; I790-V903 HydrophobicContact CD1-CG1 4.23Å; I790-V903 HydrophobicContact CD1-CG2 3.85Å; I790-V903 HydrophobicContact CG1-CG1 4.05Å; I790-V903 HydrophobicContact CG1-CG2 4.23Å; I790-R905 PolarHBondContact N-O 3.01Å; I790-I906 HydrophobicContact CB-CG1 4.26Å; I790-I906 CarbonylContact O-C 3.49Å; I790-I906 WeakPolarHBondContact O-CA 3.38Å; I790-A907 PolarHBondContact O-N 3.39Å
791V97.6Very high93.6Very high0 Ų025.2 Ų25.20%015%0.154CC..EExtended strand (participates in β ladder)trans-117.1123.9179.4-173.50000109.5M769 V772 A773 I800 S801 A907 T909M769-V791 HydrophobicContact CB-CB 4.36Å; M769-V791 HydrophobicContact CB-CG1 4.03Å; M769-V791 HydrophobicContact CE-CB 4.35Å; M769-V791 WeakPolarHBondContact CE-O 3.48Å; M769-V791 HydrophobicContact CG-CG1 4.17Å; V772-V791 HydrophobicContact CB-CG1 4.38Å; V772-V791 HydrophobicContact CG1-CG1 4.21Å; A773-V791 HydrophobicContact CB-CG2 3.92Å; V791-I800 CarbonylContact O-C 3.55Å; V791-I800 VanDerWaalsContact O-CA 3.31Å; V791-I800 WeakPolarHBondContact O-CA 3.26Å; V791-S801 PolarHBondContact N-O 2.71Å; V791-S801 PolarHBondContact O-N 2.89Å; V791-A907 CarbonylContact C-O 3.38Å; V791-A907 WeakPolarHBondContact CA-O 3.33Å; V791-A907 HydrophobicContact CG1-CB 4.35Å; V791-A907 HydrophobicContact CG2-CB 4.22Å; V791-T909 HydrophobicContact CG1-CG2 3.99Å
792A96.8Very high94.1Very high0 Ų021.8 Ų21.80%012%0.118CC..EExtended strand (participates in β ladder)trans-110.2108.3175.800000109.9L794 I800 I892 A907 L908 T909A792-L794 HydrophobicContact CB-CD2 4.11Å; A792-L794 HydrophobicContact CB-CG 4.3Å; A792-I800 HydrophobicContact CB-CG1 4.14Å; A792-I800 HydrophobicContact CB-CG2 4.15Å; A792-I892 HydrophobicContact CB-CD1 4.08Å; A792-I892 HydrophobicContact CB-CG1 4.42Å; A792-A907 PolarHBondContact N-O 3.16Å; A792-L908 HydrophobicContact CB-CD2 3.93Å; A792-T909 PolarHBondContact O-N 3.28Å
793H95Very high94.4Very high7 Ų719.5 Ų19.53%0.03211%0.106CC..EExtended strand (participates in β ladder)trans-87.4114170.5179.989.7000109.4H765 N768 M769 N798 T799 T909H765-H793 HydrophobicContact CB-CB 4.38Å; H765-H793 AromaticContact CD2-CD2 3.83Å; H765-H793 AromaticContact CD2-NE2 3.63Å; H765-H793 AromaticContact CE1-CD2 3.65Å; H765-H793 AromaticContact CE1-NE2 3.96Å; H765-H793 AromaticContact CG-CD2 3.52Å; H765-H793 AromaticContact CG-CG 3.94Å; H765-H793 AromaticContact CG-NE2 3.79Å; H765-H793 AromaticContact ND1-CD2 3.4Å; H765-H793 PolarHBondContact ND1-CD2 3Å; H765-H793 AromaticContact ND1-NE2 3.99Å; H765-H793 AromaticContact NE2-CD2 3.94Å; H765-H793 AromaticContact NE2-NE2 3.78Å; N768-H793 PolarHBondContact ND2-ND1 3.28Å; M769-H793 HydrophobicContact CG-CB 4.05Å; M769-H793 HydrophobicContact SD-CB 4.37Å; H793-N798 WeakPolarHBondContact O-CA 3.13Å; H793-T799 PolarHBondContact N-O 3.31Å; H793-T799 PolarHBondContact O-N 3.15Å; H793-T799 VanDerWaalsContact O-N 3.09Å; H793-T909 HydrophobicContact CB-CG2 3.95Å
794L93.6Very high94.7Very high0 Ų019.6 Ų19.60%010%0.101CC..  trans-115.8116.3-170.1-54.5179.4000111.4A792 N798 I888 L908 T909 G910 G911 V912 V918 L922A792-L794 HydrophobicContact CB-CD2 4.11Å; A792-L794 HydrophobicContact CB-CG 4.3Å; L794-N798 WeakPolarHBondContact CA-OD1 3.12Å; L794-N798 HydrophobicContact CD2-CB 4.47Å; L794-I888 HydrophobicContact CD1-CD1 4.24Å; L794-I888 HydrophobicContact CD1-CG2 4.41Å; L794-I888 HydrophobicContact CD2-CD1 3.8Å; L794-I888 HydrophobicContact CD2-CG1 4.04Å; L794-I888 HydrophobicContact CD2-CG2 3.93Å; L794-L908 HydrophobicContact CD1-CD2 4.46Å; L794-T909 PolarHBondContact N-O 3Å; L794-G910 CarbonylContact O-C 3.42Å; L794-G910 WeakPolarHBondContact O-CA 3.39Å; L794-G911 PolarHBondContact O-N 3.22Å; L794-G911 VanDerWaalsContact O-N 3.17Å; L794-V912 HydrophobicContact CB-CB 3.81Å; L794-V912 HydrophobicContact CB-CG1 4.41Å; L794-V912 PolarHBondContact O-N 2.6Å; L794-V918 HydrophobicContact CD1-CG1 4.34Å; L794-L922 HydrophobicContact CD1-CD1 4.35Å
795G89.7Confident94.8Very high9 Ų924 Ų249%0.09312%0.12CC..SBendtrans-175-141.9-173.300000113.7G797 N798 S820 T821G795-G797 PolarHBondContact O-N 3.39Å; G795-N798 PolarHBondContact N-OD1 2.9Å; G795-S820 WeakPolarHBondContact O-CB 3.34Å; G795-T821 PolarHBondContact O-N 3.4Å; G795-T821 PolarHBondContact O-OG1 2.95Å; G795-T821 VanDerWaalsContact O-OG1 3.13Å
796G86.2Confident94.8Very high31 Ų3119.3 Ų19.332%0.3210%0.099SC..SBendtrans-58.5-32.6176.300000112.9S820 T821 R823G796-S820 WeakPolarHBondContact O-CB 3.42Å; G796-S820 PolarHBondContact O-OG 3.21Å; G796-T821 WeakPolarHBondContact CA-OG1 3.34Å; G796-R823 WeakPolarHBondContact O-CG 3.32Å
797G88.1Confident94.8Very high3 Ų318.3 Ų18.33%0.0319%0.093CC..SBendtrans-131.4139.5164.700000108.6G795G795-G797 PolarHBondContact O-N 3.39Å
798N92.9Very high94.8Very high0 Ų018 Ų180%09%0.091CC..  trans-97.1126.8178.7-73.3-10.4000109.3H793 L794 G795 D814 P818 F819 Y884H793-N798 WeakPolarHBondContact O-CA 3.13Å; L794-N798 WeakPolarHBondContact CA-OD1 3.12Å; L794-N798 HydrophobicContact CD2-CB 4.47Å; G795-N798 PolarHBondContact N-OD1 2.9Å; N798-D814 VanDerWaalsContact O-CA 3.3Å; N798-D814 WeakPolarHBondContact O-CA 3.34Å; N798-D814 WeakPolarHBondContact O-CB 3.02Å; N798-D814 PolarHBondContact O-N 2.89Å; N798-P818 HydrophobicContact CB-CG 4.09Å; N798-F819 PolarHBondContact ND2-O 2.93Å; N798-Y884 VanDerWaalsContact ND2-CE2 3.32Å; N798-Y884 WeakPolarHBondContact ND2-CE2 3.45Å; N798-Y884 PolarHBondContact ND2-OH 3.02Å
799T94.6Very high94.7Very high0 Ų018.1 Ų18.10%09%0.091CC..EExtended strand (participates in β ladder)trans-130.1136.1171.845.40000109.1H765 M769 H793 I812H765-T799 PolarHBondContact ND1-OG1 3.49Å; M769-T799 WeakPolarHBondContact CE-O 3.37Å; H793-T799 PolarHBondContact N-O 3.31Å; H793-T799 PolarHBondContact O-N 3.15Å; H793-T799 VanDerWaalsContact O-N 3.09Å; T799-I812 WeakPolarHBondContact CA-O 3.5Å
800I97.2Very high94.7Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-126.6129.8-179.4-47.5170.1000107.2I790 V791 A792 L811 I812 P818 I892 L895I790-I800 HydrophobicContact CG2-CG2 3.75Å; V791-I800 CarbonylContact O-C 3.55Å; V791-I800 VanDerWaalsContact O-CA 3.31Å; V791-I800 WeakPolarHBondContact O-CA 3.26Å; A792-I800 HydrophobicContact CB-CG1 4.14Å; A792-I800 HydrophobicContact CB-CG2 4.15Å; I800-L811 CarbonylContact O-C 3.38Å; I800-L811 VanDerWaalsContact O-CA 3.28Å; I800-L811 WeakPolarHBondContact O-CA 3.32Å; I800-I812 PolarHBondContact N-O 3.47Å; I800-I812 VanDerWaalsContact N-O 3.1Å; I800-I812 PolarHBondContact O-N 2.83Å; I800-P818 HydrophobicContact CD1-CG 4.06Å; I800-I892 HydrophobicContact CD1-CG1 4.21Å; I800-I892 HydrophobicContact CG2-CG1 3.84Å; I800-L895 HydrophobicContact CB-CD1 3.91Å; I800-L895 HydrophobicContact CG2-CD1 3.6Å; I800-L895 VanDerWaalsContact O-CD1 3.3Å; I800-L895 WeakPolarHBondContact O-CD1 3.48Å
801S97.2Very high94.5Very high0 Ų019.2 Ų19.20%010%0.097CC..EExtended strand (participates in β ladder)trans-127154.2-178.8660000110.9M769 I790 V791 H803 D810M769-S801 VanDerWaalsContact CE-CB 3.46Å; M769-S801 WeakPolarHBondContact CE-OG 3.06Å; I790-S801 CarbonylContact C-O 3.56Å; I790-S801 VanDerWaalsContact CA-O 3.31Å; I790-S801 WeakPolarHBondContact CA-O 3.49Å; V791-S801 PolarHBondContact N-O 2.71Å; V791-S801 PolarHBondContact O-N 2.89Å; S801-H803 PolarHBondContact OG-CD2 3.17Å; S801-H803 VanDerWaalsContact OG-CD2 3.26Å; S801-H803 PolarHBondContact OG-NE2 3.17Å; S801-D810 WeakPolarHBondContact CA-O 3.29Å
802I97.8Very high94.4Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-108.6125.2165.4-174.5167.1000109.4T788 I790 M808 I809 D810 L895 V898T788-I802 HydrophobicContact CG2-CD1 4.04Å; T788-I802 HydrophobicContact CG2-CG1 4.18Å; I790-I802 HydrophobicContact CG1-CB 4.34Å; I790-I802 HydrophobicContact CG1-CD1 4.37Å; I790-I802 HydrophobicContact CG1-CG1 4.19Å; I802-M808 CarbonylContact O-C 3.51Å; I802-M808 WeakPolarHBondContact O-CA 3.29Å; I802-I809 HydrophobicContact CG2-CD1 4.49Å; I802-I809 HydrophobicContact CG2-CG1 3.81Å; I802-I809 PolarHBondContact O-N 2.89Å; I802-I809 VanDerWaalsContact O-N 3.09Å; I802-D810 HydrophobicContact CG2-CB 3.81Å; I802-D810 PolarHBondContact N-O 3.17Å; I802-L895 HydrophobicContact CB-CB 4.34Å; I802-L895 WeakPolarHBondContact CD1-O 3.42Å; I802-L895 HydrophobicContact CG2-CD2 4.17Å; I802-V898 HydrophobicContact CD1-CB 4.1Å; I802-V898 HydrophobicContact CD1-CG1 4.49Å; I802-V898 HydrophobicContact CG2-CB 4.27Å; I802-V898 HydrophobicContact CG2-CG1 4.13Å
803H97.6Very high94.2Very high1 Ų120.4 Ų20.41%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-102.1118.2173.2-67-96.6000108.4Y784 T788 L789 S801 K807 M808Y784-H803 HydrophobicContact CE2-CB 4.02Å; Y784-H803 AromaticContact CZ-ND1 3.95Å; Y784-H803 PolarHBondContact OH-ND1 2.87Å; T788-H803 CarbonylContact C-O 3.37Å; T788-H803 VanDerWaalsContact CA-O 3.24Å; T788-H803 WeakPolarHBondContact CA-O 3.39Å; L789-H803 PolarHBondContact N-O 3.05Å; L789-H803 PolarHBondContact O-N 2.93Å; S801-H803 PolarHBondContact OG-CD2 3.17Å; S801-H803 VanDerWaalsContact OG-CD2 3.26Å; S801-H803 PolarHBondContact OG-NE2 3.17Å; H803-K807 CarbonylContact C-O 3.57Å; H803-K807 WeakPolarHBondContact CA-O 3.17Å; H803-M808 VanDerWaalsContact CE1-CE 3.46Å; H803-M808 WeakPolarHBondContact CE1-CE 2.99Å
804Y96.5Very high93.8Very high82 Ų8221.3 Ų21.332%0.32211%0.109SC..EExtended strand (participates in β ladder)trans-124.1116.7-179.5-178.4-106.3000108.8T788 G806 K807 I809T788-Y804 HydrophobicContact CG2-CD2 3.95Å; T788-Y804 WeakPolarHBondContact OG1-CD2 3.46Å; Y804-G806 PolarHBondContact O-N 3.21Å; Y804-K807 PolarHBondContact N-O 2.93Å; Y804-K807 PolarHBondContact O-N 3.21Å; Y804-K807 VanDerWaalsContact O-N 3.15Å; Y804-I809 VanDerWaalsContact CB-CD1 3.49Å; Y804-I809 HydrophobicContact CD1-CD1 4.24Å; Y804-I809 HydrophobicContact CG-CD1 4Å
805K94Very high93.6Very high106 Ų10625.7 Ų25.746%0.46113%0.132SC..THydrogen-bonded Turntrans50.755.4178.1-61.6179.3175.9169.60112.6Q785 S787 K807Q785-K805 CarbonylContact O-C 3.48Å; Q785-K805 WeakPolarHBondContact O-CA 3.48Å; Q785-K805 WeakPolarHBondContact O-CB 3.38Å; S787-K805 PolarHBondContact O-N 3.07Å; K805-K807 VanDerWaalsContact C-N 3.3Å; K805-K807 PolarHBondContact O-N 3.47Å
806G92.5Very high93.6Very high4 Ų429.1 Ų29.14%0.04115%0.146CC..THydrogen-bonded Turntrans77.6-1.2178.600000116.8Y784 Y804Y784-G806 PolarHBondContact O-N 2.92Å; Y784-G806 PolarHBondContact OH-O 3.03Å; Y804-G806 PolarHBondContact O-N 3.21Å
807K94.6Very high93.8Very high123 Ų12328.2 Ų28.254%0.53514%0.136SC..EExtended strand (participates in β ladder)trans-122.6142.5-175.4-64.4-176.5-179.1-1780113.6E745 H803 Y804 K805 I809E745-K807 HydrophobicContact CB-CB 4.35Å; E745-K807 VanDerWaalsContact OE2-CA 3.28Å; E745-K807 WeakPolarHBondContact OE2-CA 3.39Å; H803-K807 CarbonylContact C-O 3.57Å; H803-K807 WeakPolarHBondContact CA-O 3.17Å; Y804-K807 PolarHBondContact N-O 2.93Å; Y804-K807 PolarHBondContact O-N 3.21Å; Y804-K807 VanDerWaalsContact O-N 3.15Å; K805-K807 VanDerWaalsContact C-N 3.3Å; K805-K807 PolarHBondContact O-N 3.47Å; K807-I809 HydrophobicContact CB-CG2 4.01Å; K807-I809 PolarHBondContact O-N 2.89Å
808M95.5Very high94.2Very high2 Ų228.3 Ų28.31%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-83.784.8174.1-168.4-173.2-5700111.4E745 A766 M769 I802 H803 L811E745-M808 CarbonylContact C-O 3.55Å; E745-M808 WeakPolarHBondContact CB-O 3.19Å; E745-M808 PolarHBondContact OE2-N 3.3Å; A766-M808 HydrophobicContact CB-CE 4.1Å; M769-M808 HydrophobicContact CB-CE 4.34Å; I802-M808 CarbonylContact O-C 3.51Å; I802-M808 WeakPolarHBondContact O-CA 3.29Å; H803-M808 VanDerWaalsContact CE1-CE 3.46Å; H803-M808 WeakPolarHBondContact CE1-CE 2.99Å; M808-L811 HydrophobicContact SD-CB 4.44Å; M808-L811 HydrophobicContact SD-CD1 4.14Å
809I96.3Very high94.3Very high13 Ų1329 Ų297%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-81.2-16.6-167.464.3165.3000115.3E745 F746 E747 I802 Y804 K807 V898E745-I809 WeakPolarHBondContact O-CA 3.18Å; F746-I809 WeakPolarHBondContact CA-O 3.43Å; E747-I809 HydrophobicContact CG-CB 4.21Å; E747-I809 PolarHBondContact N-O 2.8Å; E747-I809 VanDerWaalsContact N-O 3.12Å; I802-I809 HydrophobicContact CG2-CD1 4.49Å; I802-I809 HydrophobicContact CG2-CG1 3.81Å; I802-I809 PolarHBondContact O-N 2.89Å; I802-I809 VanDerWaalsContact O-N 3.09Å; Y804-I809 VanDerWaalsContact CB-CD1 3.49Å; Y804-I809 HydrophobicContact CD1-CD1 4.24Å; Y804-I809 HydrophobicContact CG-CD1 4Å; K807-I809 HydrophobicContact CB-CG2 4.01Å; K807-I809 PolarHBondContact O-N 2.89Å; I809-V898 HydrophobicContact CD1-CG1 3.69Å; I809-V898 HydrophobicContact CG1-CG1 4.26Å
810D96.7Very high94.3Very high20 Ų2029 Ų2911%0.10714%0.14CC..EExtended strand (participates in β ladder)trans-158.2155.6172.1-159.3-14.9000109.6A750 R760 S801 I802 L895 V898A750-D810 HydrophobicContact CB-CB 4.2Å; R760-D810 IonicContact CZ-OD1 3.79Å; R760-D810 IonicContact NH1-OD1 3.66Å; R760-D810 PolarHBondContact NH1-OD1 3.39Å; R760-D810 IonicContact NH1-OD2 3.43Å; R760-D810 IonicContact NH2-OD1 2.59Å; R760-D810 PolarHBondContact NH2-OD1 3.08Å; S801-D810 WeakPolarHBondContact CA-O 3.29Å; I802-D810 HydrophobicContact CG2-CB 3.81Å; I802-D810 PolarHBondContact N-O 3.17Å; D810-L895 HydrophobicContact CB-CD2 4.05Å; D810-V898 HydrophobicContact CB-CG2 4.43Å
811L95.1Very high94.1Very high2 Ų229.5 Ų29.51%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-149141.8177.7161.2147.9000110.2F746 R760 M769 I800 M808F746-L811 HydrophobicContact CE1-CB 3.76Å; F746-L811 VanDerWaalsContact CE1-N 3.33Å; F746-L811 HydrophobicContact CZ-CB 3.86Å; F746-L811 HydrophobicContact CZ-CD2 4.45Å; R760-L811 PolarHBondContact NH2-O 3.04Å; M769-L811 HydrophobicContact SD-CD1 4.35Å; I800-L811 CarbonylContact O-C 3.38Å; I800-L811 VanDerWaalsContact O-CA 3.28Å; I800-L811 WeakPolarHBondContact O-CA 3.32Å; M808-L811 HydrophobicContact SD-CB 4.44Å; M808-L811 HydrophobicContact SD-CD1 4.14Å
812I95.1Very high93.8Very high19 Ų1932.4 Ų32.410%0.09716%0.156CC..EExtended strand (participates in β ladder)trans-96.3114.8164.8-59.8173.4000107.7T799 I800 E816 G891 S894 L895T799-I812 WeakPolarHBondContact CA-O 3.5Å; I800-I812 PolarHBondContact N-O 3.47Å; I800-I812 VanDerWaalsContact N-O 3.1Å; I800-I812 PolarHBondContact O-N 2.83Å; I812-E816 HydrophobicContact CG2-CB 4.42Å; I812-G891 VanDerWaalsContact CD1-O 3.31Å; I812-G891 WeakPolarHBondContact CD1-O 3.49Å; I812-S894 VanDerWaalsContact CD1-OG 3.29Å; I812-S894 WeakPolarHBondContact CD1-OG 3.25Å; I812-L895 HydrophobicContact CD1-CD1 4.12Å; I812-L895 HydrophobicContact CD1-CD2 4.38Å; I812-L895 HydrophobicContact CD1-CG 3.85Å; I812-L895 HydrophobicContact CG1-CD1 4.12Å; I812-L895 HydrophobicContact CG1-CD2 4.13Å; I812-L895 HydrophobicContact CG1-CG 4.05Å
813S91.5Very high93.6Very high7 Ų735 Ų355%0.04917%0.166CC..  trans-77.5170.2179.858.60000112.2D815 E816 G817S813-D815 WeakPolarHBondContact CB-OD1 3.21Å; S813-D815 PolarHBondContact O-N 3.14Å; S813-D815 PolarHBondContact OG-OD1 2.79Å; S813-E816 PolarHBondContact O-N 2.7Å; S813-E816 WeakPolarHBondContact OG-CB 3.42Å; S813-E816 VanDerWaalsContact OG-CG 3.25Å; S813-E816 WeakPolarHBondContact OG-CG 3.31Å; S813-G817 PolarHBondContact O-N 2.75Å
814D88Confident93.5Very high26 Ų2636.3 Ų36.314%0.13917%0.174CC..THydrogen-bonded Turntrans-72.2-9.8-179.66061.1000115.1N798 R823 G825 Y848N798-D814 VanDerWaalsContact O-CA 3.3Å; N798-D814 WeakPolarHBondContact O-CA 3.34Å; N798-D814 WeakPolarHBondContact O-CB 3.02Å; N798-D814 PolarHBondContact O-N 2.89Å; D814-R823 IonicContact OD1-CZ 3.95Å; D814-R823 IonicContact OD1-NH1 3.07Å; D814-R823 PolarHBondContact OD1-NH1 3.49Å; D814-R823 IonicContact OD2-CZ 3.93Å; D814-R823 IonicContact OD2-NH1 2.82Å; D814-R823 PolarHBondContact OD2-NH1 2.77Å; D814-R823 IonicContact OD2-NH2 3.78Å; D814-G825 WeakPolarHBondContact O-CA 3.43Å; D814-Y848 PolarHBondContact O-OH 3.4Å; D814-Y848 PolarHBondContact OD1-OH 3.09Å
815D87.9Confident93.3Very high92 Ų9232.6 Ų32.649%0.49216%0.16SC..THydrogen-bonded Turntrans-99.5-21.1172.151.8-14.3000114S813 G826 Y848S813-D815 WeakPolarHBondContact CB-OD1 3.21Å; S813-D815 PolarHBondContact O-N 3.14Å; S813-D815 PolarHBondContact OG-OD1 2.79Å; D815-G826 WeakPolarHBondContact O-CA 3.31Å; D815-G826 PolarHBondContact O-N 2.51Å; D815-Y848 WeakPolarHBondContact CA-OH 3.3Å; D815-Y848 HydrophobicContact CB-CE1 4.31Å; D815-Y848 HydrophobicContact CB-CE2 4.03Å; D815-Y848 WeakPolarHBondContact CB-OH 3.29Å; D815-Y848 PolarHBondContact N-OH 3.14Å; D815-Y848 VanDerWaalsContact N-OH 3.08Å
816E90.3Very high93.2Very high80 Ų8029.3 Ų29.337%0.37416%0.157SC..THydrogen-bonded Turntrans-92.8-27.9178-67.3180174.200112.2R760 I812 S813R760-E816 WeakPolarHBondContact CG-OE1 3.35Å; R760-E816 IonicContact CZ-OE2 2.84Å; R760-E816 IonicContact NE-OE1 3.12Å; R760-E816 PolarHBondContact NE-OE1 3.1Å; R760-E816 IonicContact NE-OE2 3.93Å; R760-E816 PolarHBondContact NE-OE2 2.89Å; R760-E816 IonicContact NH2-OE2 2.67Å; R760-E816 PolarHBondContact NH2-OE2 2.85Å; I812-E816 HydrophobicContact CG2-CB 4.42Å; S813-E816 PolarHBondContact O-N 2.7Å; S813-E816 WeakPolarHBondContact OG-CB 3.42Å; S813-E816 VanDerWaalsContact OG-CG 3.25Å; S813-E816 WeakPolarHBondContact OG-CG 3.31Å
817G91.2Very high93.3Very high12 Ų1232.8 Ų32.812%0.12417%0.174CC..SBendtrans-103.5-153.3-160.300000116.7S813 G825 G826S813-G817 PolarHBondContact O-N 2.75Å; G817-G825 WeakPolarHBondContact O-CA 3.35Å; G817-G826 PolarHBondContact O-N 2.81Å
818P95.2Very high93.3Very high5 Ų530.5 Ų30.53%0.03217%0.172CC..  trans-63.6145.617829.2-35.8000111.2N798 I800 Q887 I888N798-P818 HydrophobicContact CB-CG 4.09Å; I800-P818 HydrophobicContact CD1-CG 4.06Å; P818-Q887 HydrophobicContact CB-CB 3.59Å; P818-I888 HydrophobicContact CB-CG1 4.09Å; P818-I888 HydrophobicContact CG-CG1 4.14Å
819F95.9Very high93.1Very high15 Ų1536.5 Ų36.57%0.06620%0.203CC..  trans-60.6152.816974.4-93.9000111.2N798 R823 T824 L854 A883 Y884 Q887N798-F819 PolarHBondContact ND2-O 2.93Å; F819-R823 WeakPolarHBondContact CB-O 3.35Å; F819-T824 VanDerWaalsContact CB-O 3.23Å; F819-T824 WeakPolarHBondContact CB-O 3.21Å; F819-L854 HydrophobicContact CE2-CD2 3.84Å; F819-L854 HydrophobicContact CE2-CG 4.1Å; F819-A883 HydrophobicContact CE1-CB 4.38Å; F819-A883 HydrophobicContact CZ-CB 4.5Å; F819-Y884 AromaticContact CD2-CD2 3.9Å; F819-Y884 HydrophobicContact CD2-CD2 3.9Å; F819-Y884 AromaticContact CE2-CD2 3.69Å; F819-Y884 HydrophobicContact CE2-CD2 3.69Å; F819-Y884 HydrophobicContact CE2-CG 4.09Å; F819-Y884 VanDerWaalsContact CZ-CB 3.42Å; F819-Y884 HydrophobicContact CZ-CD2 4.21Å; F819-Y884 HydrophobicContact CZ-CG 4.33Å; F819-Y884 VanDerWaalsContact CZ-N 3.34Å; F819-Y884 WeakPolarHBondContact O-CD2 3.3Å; F819-Y884 VanDerWaalsContact O-CE2 3.27Å; F819-Y884 WeakPolarHBondContact O-CE2 3.42Å; F819-Q887 HydrophobicContact CD1-CG 4.47Å; F819-Q887 HydrophobicContact CE1-CG 4.47Å
820S94.5Very high93Very high1 Ų142.9 Ų42.91%0.00723%0.23CC..  trans-112-164.9-175.6760000111.8G795 G796 E822 R823 G853 L854G795-S820 WeakPolarHBondContact O-CB 3.34Å; G796-S820 WeakPolarHBondContact O-CB 3.42Å; G796-S820 PolarHBondContact O-OG 3.21Å; S820-E822 PolarHBondContact O-N 2.76Å; S820-E822 PolarHBondContact OG-N 2.9Å; S820-R823 PolarHBondContact N-O 2.83Å; S820-R823 WeakPolarHBondContact OG-CA 3.35Å; S820-R823 VanDerWaalsContact OG-CB 3.32Å; S820-R823 WeakPolarHBondContact OG-CB 3.16Å; S820-R823 PolarHBondContact OG-N 2.83Å; S820-G853 CarbonylContact O-C 3.53Å; S820-G853 WeakPolarHBondContact O-CA 3.38Å; S820-L854 PolarHBondContact O-N 3.48Å
821T92.5Very high92.8Very high10 Ų1049.3 Ų49.36%0.06125%0.254CS..SBendtrans-68.6-23.6171.863.10000113.2G795 G796 L854 K855 S861 V912G795-T821 PolarHBondContact O-N 3.4Å; G795-T821 PolarHBondContact O-OG1 2.95Å; G795-T821 VanDerWaalsContact O-OG1 3.13Å; G796-T821 WeakPolarHBondContact CA-OG1 3.34Å; T821-L854 HydrophobicContact CG2-CD1 4.26Å; T821-K855 WeakPolarHBondContact O-CB 3.26Å; T821-K855 PolarHBondContact O-N 2.9Å; T821-S861 WeakPolarHBondContact CB-O 3.06Å; T821-V912 HydrophobicContact CG2-CG2 3.89Å
822E91.4Very high92.7Very high61 Ų6151.3 Ų51.329%0.28527%0.265SS..SBendtrans-132.6-14.6-174.6-65.4-171.9171.200115.4S820 R850 E851 G852 S861S820-E822 PolarHBondContact O-N 2.76Å; S820-E822 PolarHBondContact OG-N 2.9Å; E822-R850 CarbonylContact O-C 3.27Å; E822-E851 PolarHBondContact O-N 2.82Å; E822-G852 CarbonylContact C-O 3.58Å; E822-G852 VanDerWaalsContact C-O 3.27Å; E822-G852 WeakPolarHBondContact CA-O 3.18Å; E822-G852 CarbonylContact O-C 3.47Å; E822-G852 WeakPolarHBondContact O-CA 3.42Å; E822-G852 PolarHBondContact O-N 3.21Å; E822-S861 WeakPolarHBondContact OE1-CB 3.28Å; E822-S861 PolarHBondContact OE1-OG 2.86Å
823R93.4Very high92.6Very high55 Ų5555.1 Ų55.121%0.20828%0.283CS..  trans-114.5147.2-175.1-53.4-174.2-166.8-168.615.1111.4G796 D814 F819 S820 G825 Y848 G853G796-R823 WeakPolarHBondContact O-CG 3.32Å; D814-R823 IonicContact OD1-CZ 3.95Å; D814-R823 IonicContact OD1-NH1 3.07Å; D814-R823 PolarHBondContact OD1-NH1 3.49Å; D814-R823 IonicContact OD2-CZ 3.93Å; D814-R823 IonicContact OD2-NH1 2.82Å; D814-R823 PolarHBondContact OD2-NH1 2.77Å; D814-R823 IonicContact OD2-NH2 3.78Å; F819-R823 WeakPolarHBondContact CB-O 3.35Å; S820-R823 PolarHBondContact N-O 2.83Å; S820-R823 WeakPolarHBondContact OG-CA 3.35Å; S820-R823 VanDerWaalsContact OG-CB 3.32Å; S820-R823 WeakPolarHBondContact OG-CB 3.16Å; S820-R823 PolarHBondContact OG-N 2.83Å; R823-G825 VanDerWaalsContact C-N 3.26Å; R823-G825 PolarHBondContact O-N 2.68Å; R823-Y848 VanDerWaalsContact CA-O 3.24Å; R823-Y848 WeakPolarHBondContact CA-O 3.04Å; R823-Y848 WeakPolarHBondContact CB-O 3.33Å; R823-G853 VanDerWaalsContact O-CA 3.27Å; R823-G853 WeakPolarHBondContact O-CA 3.34Å; R823-G853 PolarHBondContact O-N 3.29Å
824T95.2Very high92.7Very high28 Ų2858 Ų5817%0.17230%0.302CS..  trans-72.7-16.5-176.762.40000114F819 L827 Y848F819-T824 VanDerWaalsContact CB-O 3.23Å; F819-T824 WeakPolarHBondContact CB-O 3.21Å; T824-L827 HydrophobicContact CG2-CD1 4.25Å; T824-Y848 PolarHBondContact N-O 3.07Å; T824-Y848 VanDerWaalsContact OG1-CD2 3.25Å; T824-Y848 WeakPolarHBondContact OG1-CD2 3.43Å
825G93.3Very high92.8Very high3 Ų359.5 Ų59.53%0.03131%0.309CS..  trans62.7-156.3-166.200000111.4D814 G817 R823 L827D814-G825 WeakPolarHBondContact O-CA 3.43Å; G817-G825 WeakPolarHBondContact O-CA 3.35Å; R823-G825 VanDerWaalsContact C-N 3.26Å; R823-G825 PolarHBondContact O-N 2.68Å; G825-L827 PolarHBondContact O-N 3.21Å
826G92Very high93.1Very high37 Ų3757.9 Ų57.938%0.38131%0.305SS..SBendtrans-65128.6173.400000112.4D815 G817D815-G826 WeakPolarHBondContact O-CA 3.31Å; D815-G826 PolarHBondContact O-N 2.51Å; G817-G826 PolarHBondContact O-N 2.81Å
827L93.6Very high93.2Very high78 Ų7863.4 Ų63.441%0.40832%0.323SS..  trans-110.6148.3175.9-71.2174.3000111.7T824 G825 L829 L832T824-L827 HydrophobicContact CG2-CD1 4.25Å; G825-L827 PolarHBondContact O-N 3.21Å; L827-L829 PolarHBondContact O-N 3.17Å; L827-L829 VanDerWaalsContact O-N 3.12Å; L827-L832 HydrophobicContact CD1-CD1 4.21Å
828P94Very high93.3Very high75 Ų7569.8 Ų69.849%0.48735%0.35SS..  trans-64.5116.3176-17.629.4000111.6K830 Y831 L832P828-K830 PolarHBondContact O-N 2.76Å; P828-Y831 HydrophobicContact CB-CD2 3.93Å; P828-Y831 HydrophobicContact CG-CD2 4.27Å; P828-Y831 PolarHBondContact O-N 3.12Å; P828-L832 PolarHBondContact O-N 3.38Å
829L92.2Very high93.1Very high127 Ų12772.6 Ų72.667%0.66536%0.363SS*.Hα-helixtrans-51.3-35.9-174.4-66.6176.4000113.9L827 Y831 L832 M833L827-L829 PolarHBondContact O-N 3.17Å; L827-L829 VanDerWaalsContact O-N 3.12Å; L829-Y831 PolarHBondContact O-N 3.15Å; L829-Y831 VanDerWaalsContact O-N 3.16Å; L829-L832 HydrophobicContact CD2-CD2 4.46Å; L829-L832 PolarHBondContact O-N 2.88Å; L829-M833 WeakPolarHBondContact O-CB 3.41Å; L829-M833 VanDerWaalsContact O-CG 3.26Å; L829-M833 WeakPolarHBondContact O-CG 3.49Å; L829-M833 PolarHBondContact O-N 3.35Å
830K93.9Very high93Very high147 Ų14774.6 Ų74.664%0.63938%0.378SS*.Hα-helixtrans-60.1-24.8179.270.9-177.7-174.3173.20114.2P828 P834P828-K830 PolarHBondContact O-N 2.76Å; K830-P834 WeakPolarHBondContact O-CD 3.49Å
831Y93.2Very high92.7Very high156 Ų15680.9 Ų80.961%0.61241%0.411SS*.Hα-helixtrans-101.7-32.5177-60.4-60.7000112.2P828 L829 P834P828-Y831 HydrophobicContact CB-CD2 3.93Å; P828-Y831 HydrophobicContact CG-CD2 4.27Å; P828-Y831 PolarHBondContact O-N 3.12Å; L829-Y831 PolarHBondContact O-N 3.15Å; L829-Y831 VanDerWaalsContact O-N 3.16Å; Y831-P834 WeakPolarHBondContact O-CD 3.42Å
832L92.4Very high92.5Very high44 Ų4488.8 Ų88.823%0.2345%0.445CS..Hα-helixtrans-65.2-42.3177-179.263000111.8L827 P828 L829 L835 C836 M844L827-L832 HydrophobicContact CD1-CD1 4.21Å; P828-L832 PolarHBondContact O-N 3.38Å; L829-L832 HydrophobicContact CD2-CD2 4.46Å; L829-L832 PolarHBondContact O-N 2.88Å; L832-L835 WeakPolarHBondContact O-CB 3.39Å; L832-L835 PolarHBondContact O-N 3.47Å; L832-L835 VanDerWaalsContact O-N 3.12Å; L832-C836 PolarHBondContact O-N 3.1Å; L832-C836 PolarHBondContact O-SG 2.99Å; L832-C836 VanDerWaalsContact O-SG 3.33Å; L832-M844 HydrophobicContact CD1-CE 3.52Å
833M92.1Very high92.5Very high99 Ų9990.3 Ų90.349%0.48845%0.452SS..Hα-helixtrans-58.4-50.3-174.6-73.2-64-63.600112.8L829 L835 C836 Y837L829-M833 WeakPolarHBondContact O-CB 3.41Å; L829-M833 VanDerWaalsContact O-CG 3.26Å; L829-M833 WeakPolarHBondContact O-CG 3.49Å; L829-M833 PolarHBondContact O-N 3.35Å; M833-L835 PolarHBondContact O-N 3.01Å; M833-C836 PolarHBondContact O-N 3.43Å; M833-Y837 WeakPolarHBondContact O-CD2 3.44Å; M833-Y837 WeakPolarHBondContact O-CE2 3.28Å
834P93.7Very high92.4Very high67 Ų6788.8 Ų88.844%0.43545%0.447SS..Hα-helixtrans-58.7-42.7172.5-25.434.6000113.5K830 Y831 C836 Y837 E838K830-P834 WeakPolarHBondContact O-CD 3.49Å; Y831-P834 WeakPolarHBondContact O-CD 3.42Å; P834-C836 VanDerWaalsContact C-N 3.27Å; P834-C836 PolarHBondContact O-N 3.43Å; P834-Y837 WeakPolarHBondContact O-CB 3.5Å; P834-Y837 PolarHBondContact O-N 3.33Å; P834-E838 PolarHBondContact O-N 3.17Å
835L91.6Very high92.1Very high57 Ų5791.2 Ų91.230%0.29846%0.459SS..Hα-helixtrans-60.8-36.3-178.4-166.767.6000112.1L832 M833 Y837 E838 H839 M844L832-L835 WeakPolarHBondContact O-CB 3.39Å; L832-L835 PolarHBondContact O-N 3.47Å; L832-L835 VanDerWaalsContact O-N 3.12Å; M833-L835 PolarHBondContact O-N 3.01Å; L835-Y837 PolarHBondContact O-N 3.43Å; L835-E838 PolarHBondContact O-N 2.9Å; L835-H839 PolarHBondContact O-CD2 2.88Å; L835-H839 PolarHBondContact O-N 3.3Å; L835-H839 VanDerWaalsContact O-N 3.16Å; L835-M844 HydrophobicContact CD2-CE 4.12Å; L835-M844 HydrophobicContact CD2-SD 4.26Å; L835-M844 HydrophobicContact CG-CE 4.33Å; L835-M844 HydrophobicContact CG-SD 3.98Å
836C92.5Very high91.9Very high59 Ų5998 Ų9840%0.39948%0.484SS..Hα-helixtrans-63.1-21.7174-68.80000114L832 M833 P834L832-C836 PolarHBondContact O-N 3.1Å; L832-C836 PolarHBondContact O-SG 2.99Å; L832-C836 VanDerWaalsContact O-SG 3.33Å; M833-C836 PolarHBondContact O-N 3.43Å; P834-C836 VanDerWaalsContact C-N 3.27Å; P834-C836 PolarHBondContact O-N 3.43Å
837Y93.1Very high91.8Very high195 Ų19599 Ų9977%0.76548%0.48SS*.Hα-helixtrans-88.8-15.1174-67.3-78.3000112.8M833 P834 L835M833-Y837 WeakPolarHBondContact O-CD2 3.44Å; M833-Y837 WeakPolarHBondContact O-CE2 3.28Å; P834-Y837 WeakPolarHBondContact O-CB 3.5Å; P834-Y837 PolarHBondContact O-N 3.33Å; L835-Y837 PolarHBondContact O-N 3.43Å
838E93.4Very high91.6Very high146 Ų14697.2 Ų97.268%0.68247%0.468SS*.Hα-helixtrans-90.9-23.6178.6-66.2177.1-170.500112.6P834 L835P834-E838 PolarHBondContact O-N 3.17Å; L835-E838 PolarHBondContact O-N 2.9Å
839H91.6Very high91.2Very high64 Ų6498.3 Ų98.330%0.29647%0.465SS..SBendtrans-120.2148.3-176.9-69.1-77.6000112.2L835 E843 M844L835-H839 PolarHBondContact O-CD2 2.88Å; L835-H839 PolarHBondContact O-N 3.3Å; L835-H839 VanDerWaalsContact O-N 3.16Å; H839-E843 HydrophobicContact CB-CB 3.99Å; H839-M844 HydrophobicContact CB-CG 3.7Å; H839-M844 HydrophobicContact CB-SD 3.68Å
840S93.1Very high90.9Very high57 Ų57100.5 Ų100.540%0.39947%0.465SS..  trans-65.1157.7167.266.20000111.3K842 E843 M844S840-K842 PolarHBondContact O-N 3.04Å; S840-K842 VanDerWaalsContact O-N 3.15Å; S840-E843 VanDerWaalsContact CB-OE2 3.32Å; S840-E843 WeakPolarHBondContact CB-OE2 3.47Å; S840-E843 PolarHBondContact N-OE2 3.49Å; S840-E843 PolarHBondContact O-N 3.49Å; S840-E843 VanDerWaalsContact OG-CD 3.27Å; S840-E843 VanDerWaalsContact OG-CG 3.3Å; S840-E843 WeakPolarHBondContact OG-CG 3.32Å; S840-E843 PolarHBondContact OG-N 2.93Å; S840-E843 PolarHBondContact OG-OE2 3.3Å; S840-M844 PolarHBondContact O-N 2.94Å
841L88.6Confident90.7Very high133 Ų13396.6 Ų96.670%0.69645%0.449SS*.Hα-helixtrans-52.8-38.5174.5177.661.7000112.2M844 L845L841-M844 PolarHBondContact O-N 3.24Å; L841-L845 HydrophobicContact CD1-CD1 4.11Å; L841-L845 HydrophobicContact CD1-CG 4.12Å; L841-L845 HydrophobicContact CG-CD1 3.98Å; L841-L845 HydrophobicContact CG-CG 4.42Å; L841-L845 WeakPolarHBondContact O-CB 3.47Å; L841-L845 VanDerWaalsContact O-CG 3.24Å; L841-L845 WeakPolarHBondContact O-CG 3.44Å; L841-L845 PolarHBondContact O-N 3.38Å
842K88Confident90.7Very high176 Ų17689.3 Ų89.377%0.76542%0.421SS*.Hα-helixtrans-65.4-41.5178.6-174.7177.6179.6177.60112S840 R846S840-K842 PolarHBondContact O-N 3.04Å; S840-K842 VanDerWaalsContact O-N 3.15Å; K842-R846 WeakPolarHBondContact O-CB 3.44Å; K842-R846 PolarHBondContact O-N 2.9Å; K842-R846 VanDerWaalsContact O-N 3.08Å
843E91.2Very high90.8Very high93 Ų9387.3 Ų87.344%0.43541%0.411SS..Hα-helixtrans-68.4-44.2176.3-72.2162.4140.400111H839 S840 L845 R846 L847H839-E843 HydrophobicContact CB-CB 3.99Å; S840-E843 VanDerWaalsContact CB-OE2 3.32Å; S840-E843 WeakPolarHBondContact CB-OE2 3.47Å; S840-E843 PolarHBondContact N-OE2 3.49Å; S840-E843 PolarHBondContact O-N 3.49Å; S840-E843 VanDerWaalsContact OG-CD 3.27Å; S840-E843 VanDerWaalsContact OG-CG 3.3Å; S840-E843 WeakPolarHBondContact OG-CG 3.32Å; S840-E843 PolarHBondContact OG-N 2.93Å; S840-E843 PolarHBondContact OG-OE2 3.3Å; E843-L845 PolarHBondContact O-N 3.27Å; E843-R846 WeakPolarHBondContact O-CB 3.11Å; E843-R846 PolarHBondContact O-N 3.15Å; E843-R846 VanDerWaalsContact O-N 3.14Å; E843-L847 WeakPolarHBondContact O-CG 3.39Å; E843-L847 PolarHBondContact O-N 3.13Å
844M92.5Very high90.9Very high23 Ų2382.6 Ų82.611%0.11339%0.388CS..Hα-helixtrans-59.6-45175.1-74.7-54.4-58.600112.2L832 L835 H839 S840 L841 R846 L847 Y848L832-M844 HydrophobicContact CD1-CE 3.52Å; L835-M844 HydrophobicContact CD2-CE 4.12Å; L835-M844 HydrophobicContact CD2-SD 4.26Å; L835-M844 HydrophobicContact CG-CE 4.33Å; L835-M844 HydrophobicContact CG-SD 3.98Å; H839-M844 HydrophobicContact CB-CG 3.7Å; H839-M844 HydrophobicContact CB-SD 3.68Å; S840-M844 PolarHBondContact O-N 2.94Å; L841-M844 PolarHBondContact O-N 3.24Å; M844-R846 VanDerWaalsContact C-N 3.29Å; M844-R846 PolarHBondContact O-N 3.05Å; M844-L847 PolarHBondContact O-N 3.47Å; M844-L847 HydrophobicContact SD-CD1 4.4Å; M844-Y848 WeakPolarHBondContact O-CB 3.41Å; M844-Y848 PolarHBondContact O-N 2.85Å
845L88Confident90.9Very high80 Ų8082.7 Ų82.742%0.41938%0.381SS..Hα-helixtrans-63.7-34176.3-74.9171.6000112.5L841 E843 K849L841-L845 HydrophobicContact CD1-CD1 4.11Å; L841-L845 HydrophobicContact CD1-CG 4.12Å; L841-L845 HydrophobicContact CG-CD1 3.98Å; L841-L845 HydrophobicContact CG-CG 4.42Å; L841-L845 WeakPolarHBondContact O-CB 3.47Å; L841-L845 VanDerWaalsContact O-CG 3.24Å; L841-L845 WeakPolarHBondContact O-CG 3.44Å; L841-L845 PolarHBondContact O-N 3.38Å; E843-L845 PolarHBondContact O-N 3.27Å; L845-K849 VanDerWaalsContact O-CB 3.28Å; L845-K849 WeakPolarHBondContact O-CB 3.3Å; L845-K849 PolarHBondContact O-N 3.01Å
846R89.1Confident91.1Very high145 Ų14583.2 Ų83.255%0.54739%0.39SS..Hα-helixtrans-68.2-49.1175.4178-178.8170.9-178.8-4.3111.3K842 E843 M844 Y848 R850 E851K842-R846 WeakPolarHBondContact O-CB 3.44Å; K842-R846 PolarHBondContact O-N 2.9Å; K842-R846 VanDerWaalsContact O-N 3.08Å; E843-R846 WeakPolarHBondContact O-CB 3.11Å; E843-R846 PolarHBondContact O-N 3.15Å; E843-R846 VanDerWaalsContact O-N 3.14Å; M844-R846 VanDerWaalsContact C-N 3.29Å; M844-R846 PolarHBondContact O-N 3.05Å; R846-Y848 VanDerWaalsContact C-N 3.32Å; R846-Y848 PolarHBondContact O-N 2.7Å; R846-R850 PolarHBondContact O-N 2.59Å; R846-E851 HydrophobicContact CG-CG 4.31Å; R846-E851 IonicContact CZ-OE1 2.69Å; R846-E851 IonicContact CZ-OE2 3.51Å; R846-E851 VanDerWaalsContact NE-CD 3.25Å; R846-E851 IonicContact NE-OE1 3.51Å; R846-E851 PolarHBondContact NE-OE1 2.82Å; R846-E851 IonicContact NE-OE2 3.19Å; R846-E851 PolarHBondContact NE-OE2 2.88Å; R846-E851 IonicContact NH2-OE1 2.93Å; R846-E851 PolarHBondContact NH2-OE1 3.13Å; R846-E851 IonicContact NH2-OE2 3.42Å; R846-E851 PolarHBondContact O-N 2.83Å
847L90.9Very high91.2Very high58 Ų5887.9 Ų87.930%0.30440%0.4SS..Hα-helixtrans-57.7-47.5175.9-71.7174000110.9E843 M844 E851 G852E843-L847 WeakPolarHBondContact O-CG 3.39Å; E843-L847 PolarHBondContact O-N 3.13Å; M844-L847 PolarHBondContact O-N 3.47Å; M844-L847 HydrophobicContact SD-CD1 4.4Å; L847-E851 CarbonylContact O-C 3.54Å; L847-G852 PolarHBondContact O-N 2.82Å; L847-G852 VanDerWaalsContact O-N 3.1Å
848Y88.5Confident91.2Very high40 Ų4079.1 Ų79.116%0.15737%0.368CS..Hα-helixtrans-65-48.4-179.5171.6-112.4000113D814 D815 R823 T824 M844 R846D814-Y848 PolarHBondContact O-OH 3.4Å; D814-Y848 PolarHBondContact OD1-OH 3.09Å; D815-Y848 WeakPolarHBondContact CA-OH 3.3Å; D815-Y848 HydrophobicContact CB-CE1 4.31Å; D815-Y848 HydrophobicContact CB-CE2 4.03Å; D815-Y848 WeakPolarHBondContact CB-OH 3.29Å; D815-Y848 PolarHBondContact N-OH 3.14Å; D815-Y848 VanDerWaalsContact N-OH 3.08Å; R823-Y848 VanDerWaalsContact CA-O 3.24Å; R823-Y848 WeakPolarHBondContact CA-O 3.04Å; R823-Y848 WeakPolarHBondContact CB-O 3.33Å; T824-Y848 PolarHBondContact N-O 3.07Å; T824-Y848 VanDerWaalsContact OG1-CD2 3.25Å; T824-Y848 WeakPolarHBondContact OG1-CD2 3.43Å; M844-Y848 WeakPolarHBondContact O-CB 3.41Å; M844-Y848 PolarHBondContact O-N 2.85Å; R846-Y848 VanDerWaalsContact C-N 3.32Å; R846-Y848 PolarHBondContact O-N 2.7Å
849K85.8Confident91.1Very high98 Ų9875.3 Ų75.343%0.42637%0.368SS..Hα-helixtrans-96.1-19.8-169.2-63.8-164.8173-174.50116L845L845-K849 VanDerWaalsContact O-CB 3.28Å; L845-K849 WeakPolarHBondContact O-CB 3.3Å; L845-K849 PolarHBondContact O-N 3.01Å
850R85.2Confident91.1Very high173 Ų17373.2 Ų73.265%0.65336%0.36SS*.Hα-helixtrans-135.6-16.8-167.5-61.9-168179.6-1541115.4E822 R846 K855E822-R850 CarbonylContact O-C 3.27Å; R846-R850 PolarHBondContact O-N 2.59Å; R850-K855 WeakPolarHBondContact O-CD 3.4Å; R850-K855 WeakPolarHBondContact O-CE 3.44Å; R850-K855 PolarHBondContact O-NZ 2.87Å
851E91.1Very high90.9Very high66 Ų6672.3 Ų72.331%0.30835%0.354SS..SBendtrans-129.917.4-174.7-63-176.4166.200112.3E822 R846 L847 S856E822-E851 PolarHBondContact O-N 2.82Å; R846-E851 HydrophobicContact CG-CG 4.31Å; R846-E851 IonicContact CZ-OE1 2.69Å; R846-E851 IonicContact CZ-OE2 3.51Å; R846-E851 VanDerWaalsContact NE-CD 3.25Å; R846-E851 IonicContact NE-OE1 3.51Å; R846-E851 PolarHBondContact NE-OE1 2.82Å; R846-E851 IonicContact NE-OE2 3.19Å; R846-E851 PolarHBondContact NE-OE2 2.88Å; R846-E851 IonicContact NH2-OE1 2.93Å; R846-E851 PolarHBondContact NH2-OE1 3.13Å; R846-E851 IonicContact NH2-OE2 3.42Å; R846-E851 PolarHBondContact O-N 2.83Å; L847-E851 CarbonylContact O-C 3.54Å; E851-S856 VanDerWaalsContact O-CB 3.27Å; E851-S856 WeakPolarHBondContact O-CB 3.33Å
852G92.1Very high90.9Very high2 Ų268.2 Ų68.22%0.02134%0.336CS..  trans-99.6-168.217500000112.5E822 L847 K855 S856E822-G852 CarbonylContact C-O 3.58Å; E822-G852 VanDerWaalsContact C-O 3.27Å; E822-G852 WeakPolarHBondContact CA-O 3.18Å; E822-G852 CarbonylContact O-C 3.47Å; E822-G852 WeakPolarHBondContact O-CA 3.42Å; E822-G852 PolarHBondContact O-N 3.21Å; L847-G852 PolarHBondContact O-N 2.82Å; L847-G852 VanDerWaalsContact O-N 3.1Å; G852-K855 PolarHBondContact O-N 3.31Å; G852-S856 PolarHBondContact O-N 3.08Å
853G94.2Very high90.8Very high2 Ų260.6 Ų60.62%0.02131%0.306CS..Hα-helixtrans62.7-148.8170.800000113.3S820 R823 K855 S856 Y857S820-G853 CarbonylContact O-C 3.53Å; S820-G853 WeakPolarHBondContact O-CA 3.38Å; R823-G853 VanDerWaalsContact O-CA 3.27Å; R823-G853 WeakPolarHBondContact O-CA 3.34Å; R823-G853 PolarHBondContact O-N 3.29Å; G853-K855 PolarHBondContact O-N 2.98Å; G853-K855 VanDerWaalsContact O-N 3.17Å; G853-S856 PolarHBondContact O-N 3.4Å; G853-S856 PolarHBondContact O-OG 3.1Å; G853-Y857 VanDerWaalsContact O-CD2 3.26Å; G853-Y857 WeakPolarHBondContact O-CD2 3.48Å
854L94.3Very high90.7Very high0 Ų063 Ų630%032%0.315CS..Hα-helixtrans-57-33.8179.9-68.7176.3000113F819 S820 T821 S856 Y857 A858 I866 V880 Y881 Y884F819-L854 HydrophobicContact CE2-CD2 3.84Å; F819-L854 HydrophobicContact CE2-CG 4.1Å; S820-L854 PolarHBondContact O-N 3.48Å; T821-L854 HydrophobicContact CG2-CD1 4.26Å; L854-S856 VanDerWaalsContact C-N 3.31Å; L854-S856 PolarHBondContact O-N 2.98Å; L854-Y857 PolarHBondContact O-N 3.27Å; L854-A858 VanDerWaalsContact O-CB 3.29Å; L854-A858 WeakPolarHBondContact O-CB 3.17Å; L854-A858 PolarHBondContact O-N 3.02Å; L854-I866 HydrophobicContact CB-CD1 3.62Å; L854-I866 HydrophobicContact CD1-CD1 3.85Å; L854-I866 HydrophobicContact CD2-CD1 4.35Å; L854-I866 HydrophobicContact CG-CD1 4.15Å; L854-V880 HydrophobicContact CD2-CG1 3.94Å; L854-Y881 HydrophobicContact CD1-CD2 4.03Å; L854-Y881 HydrophobicContact CD1-CE2 3.93Å; L854-Y881 HydrophobicContact CD2-CD2 4.08Å; L854-Y884 HydrophobicContact CD1-CD1 4.2Å; L854-Y884 HydrophobicContact CD1-CD2 4.38Å; L854-Y884 HydrophobicContact CD1-CE1 4.4Å; L854-Y884 HydrophobicContact CD1-CG 4.21Å; L854-Y884 HydrophobicContact CD2-CG 4.36Å; L854-Y884 HydrophobicContact CG-CD2 4.39Å; L854-Y884 HydrophobicContact CG-CG 4.4Å
855K94.6Very high90.6Very high69 Ų6965.1 Ų65.130%0.332%0.324SS..Hα-helixtrans-61-35.9176.4-175.4176.9173.9-173.30113.4T821 R850 G852 G853 Y857 G859 T860T821-K855 WeakPolarHBondContact O-CB 3.26Å; T821-K855 PolarHBondContact O-N 2.9Å; R850-K855 WeakPolarHBondContact O-CD 3.4Å; R850-K855 WeakPolarHBondContact O-CE 3.44Å; R850-K855 PolarHBondContact O-NZ 2.87Å; G852-K855 PolarHBondContact O-N 3.31Å; G853-K855 PolarHBondContact O-N 2.98Å; G853-K855 VanDerWaalsContact O-N 3.17Å; K855-Y857 VanDerWaalsContact C-N 3.28Å; K855-Y857 PolarHBondContact O-N 3.34Å; K855-G859 VanDerWaalsContact O-CA 3.27Å; K855-G859 WeakPolarHBondContact O-CA 3.39Å; K855-G859 PolarHBondContact O-N 3.09Å; K855-T860 VanDerWaalsContact CA-O 3.27Å; K855-T860 WeakPolarHBondContact CA-O 3.47Å; K855-T860 PolarHBondContact N-O 3Å
856S95.2Very high90.8Very high69 Ų6961.3 Ų61.348%0.48330%0.304SS..Hα-helixtrans-68.1-29.317869.70000112.8E851 G852 G853 L854E851-S856 VanDerWaalsContact O-CB 3.27Å; E851-S856 WeakPolarHBondContact O-CB 3.33Å; G852-S856 PolarHBondContact O-N 3.08Å; G853-S856 PolarHBondContact O-N 3.4Å; G853-S856 PolarHBondContact O-OG 3.1Å; L854-S856 VanDerWaalsContact C-N 3.31Å; L854-S856 PolarHBondContact O-N 2.98Å
857Y94.8Very high91Very high156 Ų15655.9 Ų55.961%0.61229%0.285SS*.Hα-helixtrans-92.2-37.8-179.5-66.3-79.8000113G853 L854 K855 V880G853-Y857 VanDerWaalsContact O-CD2 3.26Å; G853-Y857 WeakPolarHBondContact O-CD2 3.48Å; L854-Y857 PolarHBondContact O-N 3.27Å; K855-Y857 VanDerWaalsContact C-N 3.28Å; K855-Y857 PolarHBondContact O-N 3.34Å; Y857-V880 HydrophobicContact CD1-CG1 4.32Å; Y857-V880 HydrophobicContact CD1-CG2 3.89Å; Y857-V880 HydrophobicContact CD2-CG1 3.68Å; Y857-V880 HydrophobicContact CE2-CG1 4.4Å; Y857-V880 HydrophobicContact CG-CG1 3.65Å; Y857-V880 HydrophobicContact CG-CG2 4.01Å
858A92.9Very high91.1Very high11 Ų1158.2 Ų58.29%0.09129%0.294CS..Hα-helixtrans-103.5-14.3-171.400000114.3L854 T860 I866 R869 L877L854-A858 VanDerWaalsContact O-CB 3.29Å; L854-A858 WeakPolarHBondContact O-CB 3.17Å; L854-A858 PolarHBondContact O-N 3.02Å; A858-T860 HydrophobicContact CB-CG2 4.02Å; A858-T860 PolarHBondContact O-N 3.35Å; A858-I866 HydrophobicContact CB-CD1 3.85Å; A858-I866 HydrophobicContact CB-CG1 3.79Å; A858-R869 PolarHBondContact O-NH1 3.04Å; A858-L877 HydrophobicContact CB-CD1 3.66Å; A858-L877 HydrophobicContact CB-CD2 4.46Å
859G92.2Very high91.4Very high66 Ų6660.5 Ų60.568%0.6830%0.303SS*.SBendtrans75.62.9-170.900000114.6K855K855-G859 VanDerWaalsContact O-CA 3.27Å; K855-G859 WeakPolarHBondContact O-CA 3.39Å; K855-G859 PolarHBondContact O-N 3.09Å
860T90.7Very high91.8Very high21 Ų2157.5 Ų57.513%0.12929%0.291CS..  trans-142144.8-177.9-176.50000110.3K855 A858 S862 E865 I866K855-T860 VanDerWaalsContact CA-O 3.27Å; K855-T860 WeakPolarHBondContact CA-O 3.47Å; K855-T860 PolarHBondContact N-O 3Å; A858-T860 HydrophobicContact CB-CG2 4.02Å; A858-T860 PolarHBondContact O-N 3.35Å; T860-S862 WeakPolarHBondContact OG1-CB 3.49Å; T860-S862 PolarHBondContact OG1-N 3.44Å; T860-E865 VanDerWaalsContact CB-OE2 3.24Å; T860-E865 WeakPolarHBondContact CB-OE2 3.3Å; T860-E865 HydrophobicContact CG2-CB 4.25Å; T860-E865 HydrophobicContact CG2-CG 4.19Å; T860-E865 WeakPolarHBondContact CG2-OE2 3.46Å; T860-E865 PolarHBondContact OG1-OE2 3.44Å; T860-I866 HydrophobicContact CG2-CD1 4.3Å; T860-I866 HydrophobicContact CG2-CG1 3.89Å
861S88.6Confident92.1Very high38 Ų3856 Ų5627%0.26630%0.295SS..  trans-92.81.6171.654.10000113T821 E822 A863T821-S861 WeakPolarHBondContact CB-O 3.06Å; E822-S861 WeakPolarHBondContact OE1-CB 3.28Å; E822-S861 PolarHBondContact OE1-OG 2.86Å; S861-A863 PolarHBondContact O-N 3.16Å
862S88.6Confident92.2Very high47 Ų4757 Ų5733%0.32932%0.315SS..  trans-77.9105.7178178.60000110.9T860 K864 E865 I866T860-S862 WeakPolarHBondContact OG1-CB 3.49Å; T860-S862 PolarHBondContact OG1-N 3.44Å; S862-K864 PolarHBondContact O-N 2.89Å; S862-E865 PolarHBondContact O-N 2.84Å; S862-E865 PolarHBondContact OG-N 3.23Å; S862-I866 WeakPolarHBondContact O-CG1 3.5Å; S862-I866 PolarHBondContact O-N 2.8Å; S862-I866 VanDerWaalsContact O-N 3.12Å
863A86.5Confident92.3Very high15 Ų1559.6 Ų59.612%0.12434%0.342CS..Hα-helixtrans-57.1-36.8173.800000111.9S861 I866 E867 V912S861-A863 PolarHBondContact O-N 3.16Å; A863-I866 PolarHBondContact O-N 3.35Å; A863-E867 WeakPolarHBondContact O-CG 3.49Å; A863-E867 PolarHBondContact O-N 3.3Å; A863-V912 HydrophobicContact CB-CG2 4.4Å
864K88.1Confident92.3Very high144 Ų14462.5 Ų62.563%0.62636%0.357SS*.Hα-helixtrans-60.9-46.1176.3-175.9-176.7176-171.30112.2S862 I866 E867 E868S862-K864 PolarHBondContact O-N 2.89Å; K864-I866 VanDerWaalsContact C-N 3.3Å; K864-I866 PolarHBondContact O-N 3.3Å; K864-E867 PolarHBondContact O-N 3.42Å; K864-E868 WeakPolarHBondContact CE-OE1 3.09Å; K864-E868 WeakPolarHBondContact O-CG 3.31Å; K864-E868 PolarHBondContact O-N 3.2Å
865E91.9Very high92.2Very high67 Ų6770 Ų7031%0.31339%0.392SS..Hα-helixtrans-64.9-37.1179-172.7-176.7167.800111.4T860 S862 E868 R869T860-E865 VanDerWaalsContact CB-OE2 3.24Å; T860-E865 WeakPolarHBondContact CB-OE2 3.3Å; T860-E865 HydrophobicContact CG2-CB 4.25Å; T860-E865 HydrophobicContact CG2-CG 4.19Å; T860-E865 WeakPolarHBondContact CG2-OE2 3.46Å; T860-E865 PolarHBondContact OG1-OE2 3.44Å; S862-E865 PolarHBondContact O-N 2.84Å; S862-E865 PolarHBondContact OG-N 3.23Å; E865-E868 PolarHBondContact O-N 3.44Å; E865-R869 WeakPolarHBondContact O-CG 3.21Å; E865-R869 PolarHBondContact O-N 2.78Å; E865-R869 IonicContact OE1-CZ 3.87Å; E865-R869 IonicContact OE1-NE 2.67Å; E865-R869 IonicContact OE1-NH2 2.68Å; E865-R869 PolarHBondContact OE1-NH2 2.92Å
866I92.5Very high92.1Very high0 Ų074.5 Ų74.50%041%0.414CS..Hα-helixtrans-65.6-45.1176.7-70.3166.8000111.1L854 A858 T860 S862 A863 K864 E868 R869 I870 L877 Y881L854-I866 HydrophobicContact CB-CD1 3.62Å; L854-I866 HydrophobicContact CD1-CD1 3.85Å; L854-I866 HydrophobicContact CD2-CD1 4.35Å; L854-I866 HydrophobicContact CG-CD1 4.15Å; A858-I866 HydrophobicContact CB-CD1 3.85Å; A858-I866 HydrophobicContact CB-CG1 3.79Å; T860-I866 HydrophobicContact CG2-CD1 4.3Å; T860-I866 HydrophobicContact CG2-CG1 3.89Å; S862-I866 WeakPolarHBondContact O-CG1 3.5Å; S862-I866 PolarHBondContact O-N 2.8Å; S862-I866 VanDerWaalsContact O-N 3.12Å; A863-I866 PolarHBondContact O-N 3.35Å; K864-I866 VanDerWaalsContact C-N 3.3Å; K864-I866 PolarHBondContact O-N 3.3Å; I866-E868 VanDerWaalsContact C-N 3.33Å; I866-E868 PolarHBondContact O-N 3.08Å; I866-R869 PolarHBondContact O-N 2.61Å; I866-I870 HydrophobicContact CG2-CD1 3.81Å; I866-I870 WeakPolarHBondContact O-CG1 3.24Å; I866-I870 PolarHBondContact O-N 3.13Å; I866-L877 HydrophobicContact CB-CD2 4.32Å; I866-L877 HydrophobicContact CG1-CD2 4.36Å; I866-L877 HydrophobicContact CG2-CD1 4.11Å; I866-L877 HydrophobicContact CG2-CD2 3.87Å; I866-L877 HydrophobicContact CG2-CG 3.87Å; I866-Y881 HydrophobicContact CG2-CD2 3.61Å; I866-Y881 HydrophobicContact CG2-CE2 4.04Å; I866-Y881 HydrophobicContact CG2-CG 4.13Å
867E92.8Very high92.1Very high32 Ų3271.6 Ų71.615%0.1539%0.393CS..Hα-helixtrans-61.2-41.3175.7-72.8177.2177.500112A863 K864 R869 I870 L871 Y881 S915 I917A863-E867 WeakPolarHBondContact O-CG 3.49Å; A863-E867 PolarHBondContact O-N 3.3Å; K864-E867 PolarHBondContact O-N 3.42Å; E867-R869 VanDerWaalsContact C-N 3.34Å; E867-R869 PolarHBondContact O-N 3.04Å; E867-I870 PolarHBondContact O-N 3.17Å; E867-L871 WeakPolarHBondContact O-CB 3.36Å; E867-L871 VanDerWaalsContact O-CG 3.32Å; E867-L871 WeakPolarHBondContact O-CG 3.28Å; E867-L871 PolarHBondContact O-N 3.04Å; E867-Y881 HydrophobicContact CG-CE1 3.84Å; E867-Y881 PolarHBondContact OE1-OH 2.93Å; E867-S915 WeakPolarHBondContact OE1-CB 3.33Å; E867-S915 PolarHBondContact OE1-OG 3.13Å; E867-I917 HydrophobicContact CB-CD1 4.39Å; E867-I917 HydrophobicContact CG-CD1 4.05Å
868E93.3Very high92.1Very high106 Ų10668.5 Ų68.550%0.49538%0.383SS..Hα-helixtrans-60.3-42.2174.9-73.7169.5-178.800111.8K864 E865 I866 L871 A872K864-E868 WeakPolarHBondContact CE-OE1 3.09Å; K864-E868 WeakPolarHBondContact O-CG 3.31Å; K864-E868 PolarHBondContact O-N 3.2Å; E865-E868 PolarHBondContact O-N 3.44Å; I866-E868 VanDerWaalsContact C-N 3.33Å; I866-E868 PolarHBondContact O-N 3.08Å; E868-L871 PolarHBondContact O-N 3.36Å; E868-A872 WeakPolarHBondContact O-CB 3.24Å; E868-A872 PolarHBondContact O-N 3.35Å; E868-A872 VanDerWaalsContact O-N 3.08Å
869R94.3Very high92.3Very high88 Ų8873.8 Ų73.833%0.33241%0.408SS..Hα-helixtrans-66.6-40.4175.8-70177.6-170.8-168.27.5112.8A858 E865 I866 E867 A872 G873 D874 L877A858-R869 PolarHBondContact O-NH1 3.04Å; E865-R869 WeakPolarHBondContact O-CG 3.21Å; E865-R869 PolarHBondContact O-N 2.78Å; E865-R869 IonicContact OE1-CZ 3.87Å; E865-R869 IonicContact OE1-NE 2.67Å; E865-R869 IonicContact OE1-NH2 2.68Å; E865-R869 PolarHBondContact OE1-NH2 2.92Å; I866-R869 PolarHBondContact O-N 2.61Å; E867-R869 VanDerWaalsContact C-N 3.34Å; E867-R869 PolarHBondContact O-N 3.04Å; R869-A872 CarbonylContact O-C 3.57Å; R869-A872 WeakPolarHBondContact O-CA 3.43Å; R869-A872 WeakPolarHBondContact O-CB 3.47Å; R869-A872 PolarHBondContact O-N 2.95Å; R869-A872 VanDerWaalsContact O-N 3.13Å; R869-G873 PolarHBondContact O-N 3.07Å; R869-D874 HydrophobicContact CB-CB 4.38Å; R869-D874 WeakPolarHBondContact O-CB 3.37Å; R869-D874 PolarHBondContact O-N 3.45Å; R869-L877 HydrophobicContact CB-CD2 3.78Å
870I93.5Very high92.4Very high35 Ų3571.9 Ų71.918%0.17938%0.383CS..Hα-helixtrans-64.2-44.3176.5-69.2165.1000110.7I866 E867 A872 G873 L877 K878 Y881I866-I870 HydrophobicContact CG2-CD1 3.81Å; I866-I870 WeakPolarHBondContact O-CG1 3.24Å; I866-I870 PolarHBondContact O-N 3.13Å; E867-I870 PolarHBondContact O-N 3.17Å; I870-A872 PolarHBondContact O-N 3.49Å; I870-G873 PolarHBondContact O-N 3.47Å; I870-L877 HydrophobicContact CD1-CG 4.41Å; I870-L877 HydrophobicContact CG1-CB 4.31Å; I870-L877 HydrophobicContact CG1-CD2 4.39Å; I870-L877 HydrophobicContact CG1-CG 4.15Å; I870-K878 HydrophobicContact CG1-CB 4.3Å; I870-K878 HydrophobicContact CG2-CB 4.01Å; I870-K878 HydrophobicContact CG2-CD 4.49Å; I870-K878 HydrophobicContact CG2-CG 4.07Å; I870-Y881 VanDerWaalsContact CD1-CB 3.49Å; I870-Y881 HydrophobicContact CD1-CD1 3.9Å; I870-Y881 HydrophobicContact CD1-CG 3.76Å
871L91.9Very high92.7Very high141 Ų14171 Ų7174%0.73838%0.378SS*.Hα-helixtrans-62.8-26.5174.8-71.5171.1000112.3E867 E868 G873E867-L871 WeakPolarHBondContact O-CB 3.36Å; E867-L871 VanDerWaalsContact O-CG 3.32Å; E867-L871 WeakPolarHBondContact O-CG 3.28Å; E867-L871 PolarHBondContact O-N 3.04Å; E868-L871 PolarHBondContact O-N 3.36Å; L871-G873 VanDerWaalsContact C-N 3.3Å
872A94.1Very high93Very high89 Ų8971.8 Ų71.874%0.73638%0.379SS*.THydrogen-bonded Turntrans-81.7-0.5173.300000114.4E868 R869 I870E868-A872 WeakPolarHBondContact O-CB 3.24Å; E868-A872 PolarHBondContact O-N 3.35Å; E868-A872 VanDerWaalsContact O-N 3.08Å; R869-A872 CarbonylContact O-C 3.57Å; R869-A872 WeakPolarHBondContact O-CA 3.43Å; R869-A872 WeakPolarHBondContact O-CB 3.47Å; R869-A872 PolarHBondContact O-N 2.95Å; R869-A872 VanDerWaalsContact O-N 3.13Å; I870-A872 PolarHBondContact O-N 3.49Å
873G93.1Very high93.4Very high56 Ų5671.4 Ų71.458%0.57738%0.378SS*.THydrogen-bonded Turntrans104.416.6172.800000116.2R869 I870 L871 E875R869-G873 PolarHBondContact O-N 3.07Å; I870-G873 PolarHBondContact O-N 3.47Å; L871-G873 VanDerWaalsContact C-N 3.3Å; G873-E875 PolarHBondContact O-N 3.46Å
874D94.4Very high93.8Very high62 Ų6270.7 Ų70.733%0.33237%0.372SS..  trans-75.188.8175.1-166.8-24.3000111.7R869 E876 L877 K878R869-D874 HydrophobicContact CB-CB 4.38Å; R869-D874 WeakPolarHBondContact O-CB 3.37Å; R869-D874 PolarHBondContact O-N 3.45Å; D874-E876 PolarHBondContact OD1-N 3.14Å; D874-L877 HydrophobicContact CB-CB 4Å; D874-L877 VanDerWaalsContact OD1-CB 3.27Å; D874-L877 WeakPolarHBondContact OD1-CB 3.38Å; D874-L877 PolarHBondContact OD1-N 3.48Å; D874-L877 WeakPolarHBondContact OD2-CB 3.45Å; D874-K878 PolarHBondContact O-N 3.3Å
875E93Very high94.2Very high158 Ų15863.9 Ų63.974%0.73834%0.343SS*.Hα-helixtrans-67.3-34.3-177.6-67-172.6170.300113.4G873 K878 I879G873-E875 PolarHBondContact O-N 3.46Å; E875-K878 WeakPolarHBondContact O-CB 3.25Å; E875-K878 PolarHBondContact O-N 3.35Å; E875-I879 PolarHBondContact O-N 3.49Å
876E92.6Very high94.5Very high164 Ų16466.3 Ų66.377%0.76635%0.35SS*.Hα-helixtrans-66.3-46.1177.5-69.4-171.9173.600110.3D874 K878 I879 V880D874-E876 PolarHBondContact OD1-N 3.14Å; E876-K878 VanDerWaalsContact C-N 3.28Å; E876-K878 PolarHBondContact O-N 3.43Å; E876-I879 PolarHBondContact O-N 2.92Å; E876-V880 PolarHBondContact O-N 3.45Å
877L94.1Very high94.7Very high8 Ų869.6 Ų69.64%0.04237%0.365CS..Hα-helixtrans-67.1-31.4177.5-171.359.8000112.1A858 I866 R869 I870 D874 I879 V880 Y881A858-L877 HydrophobicContact CB-CD1 3.66Å; A858-L877 HydrophobicContact CB-CD2 4.46Å; I866-L877 HydrophobicContact CB-CD2 4.32Å; I866-L877 HydrophobicContact CG1-CD2 4.36Å; I866-L877 HydrophobicContact CG2-CD1 4.11Å; I866-L877 HydrophobicContact CG2-CD2 3.87Å; I866-L877 HydrophobicContact CG2-CG 3.87Å; R869-L877 HydrophobicContact CB-CD2 3.78Å; I870-L877 HydrophobicContact CD1-CG 4.41Å; I870-L877 HydrophobicContact CG1-CB 4.31Å; I870-L877 HydrophobicContact CG1-CD2 4.39Å; I870-L877 HydrophobicContact CG1-CG 4.15Å; D874-L877 HydrophobicContact CB-CB 4Å; D874-L877 VanDerWaalsContact OD1-CB 3.27Å; D874-L877 WeakPolarHBondContact OD1-CB 3.38Å; D874-L877 PolarHBondContact OD1-N 3.48Å; D874-L877 WeakPolarHBondContact OD2-CB 3.45Å; L877-I879 VanDerWaalsContact C-N 3.34Å; L877-I879 PolarHBondContact O-N 2.94Å; L877-V880 PolarHBondContact O-N 3.23Å; L877-Y881 WeakPolarHBondContact O-CB 3.49Å; L877-Y881 PolarHBondContact O-N 2.95Å
878K95.1Very high94.9Very high91 Ų9168.1 Ų68.140%0.39636%0.358SS..Hα-helixtrans-58.5-45.5172.4-174.6-176.4-178.3-18.80111.6I870 D874 E875 E876 V880 Y881 D882I870-K878 HydrophobicContact CG1-CB 4.3Å; I870-K878 HydrophobicContact CG2-CB 4.01Å; I870-K878 HydrophobicContact CG2-CD 4.49Å; I870-K878 HydrophobicContact CG2-CG 4.07Å; D874-K878 PolarHBondContact O-N 3.3Å; E875-K878 WeakPolarHBondContact O-CB 3.25Å; E875-K878 PolarHBondContact O-N 3.35Å; E876-K878 VanDerWaalsContact C-N 3.28Å; E876-K878 PolarHBondContact O-N 3.43Å; K878-V880 VanDerWaalsContact C-N 3.29Å; K878-V880 PolarHBondContact O-N 3.4Å; K878-Y881 PolarHBondContact O-N 3.35Å; K878-D882 IonicContact NZ-OD1 3.63Å; K878-D882 PolarHBondContact NZ-OD1 3.12Å; K878-D882 IonicContact NZ-OD2 2.67Å; K878-D882 PolarHBondContact NZ-OD2 2.98Å; K878-D882 WeakPolarHBondContact O-CB 3.32Å; K878-D882 VanDerWaalsContact O-CG 3.25Å; K878-D882 PolarHBondContact O-N 3.03Å
879I96.2Very high95.2Very high122 Ų12263.5 Ų63.563%0.62634%0.339SS*.Hα-helixtrans-61.6-41.4178.5-66.6170.5000110.6E875 E876 L877 D882 A883E875-I879 PolarHBondContact O-N 3.49Å; E876-I879 PolarHBondContact O-N 2.92Å; L877-I879 VanDerWaalsContact C-N 3.34Å; L877-I879 PolarHBondContact O-N 2.94Å; I879-D882 PolarHBondContact O-N 3.16Å; I879-A883 WeakPolarHBondContact O-CB 3.27Å; I879-A883 PolarHBondContact O-N 3.44Å
880V95.8Very high95.3Very high25 Ų2565.4 Ų65.415%0.15235%0.349CS..Hα-helixtrans-63.7-43.8176.8176.90000111.1L854 Y857 E876 L877 K878 A883 Y884L854-V880 HydrophobicContact CD2-CG1 3.94Å; Y857-V880 HydrophobicContact CD1-CG1 4.32Å; Y857-V880 HydrophobicContact CD1-CG2 3.89Å; Y857-V880 HydrophobicContact CD2-CG1 3.68Å; Y857-V880 HydrophobicContact CE2-CG1 4.4Å; Y857-V880 HydrophobicContact CG-CG1 3.65Å; Y857-V880 HydrophobicContact CG-CG2 4.01Å; E876-V880 PolarHBondContact O-N 3.45Å; L877-V880 PolarHBondContact O-N 3.23Å; K878-V880 VanDerWaalsContact C-N 3.29Å; K878-V880 PolarHBondContact O-N 3.4Å; V880-A883 WeakPolarHBondContact O-CB 3.32Å; V880-A883 PolarHBondContact O-N 2.84Å; V880-Y884 PolarHBondContact O-N 2.88Å
881Y95.4Very high95.5Very high4 Ų464.1 Ų64.12%0.01634%0.344CS..Hα-helixtrans-69.9-36.7179.5-158.2-114.3000112.6L854 I866 E867 I870 L877 K878 A883 Y884 I885 I917 V918L854-Y881 HydrophobicContact CD1-CD2 4.03Å; L854-Y881 HydrophobicContact CD1-CE2 3.93Å; L854-Y881 HydrophobicContact CD2-CD2 4.08Å; I866-Y881 HydrophobicContact CG2-CD2 3.61Å; I866-Y881 HydrophobicContact CG2-CE2 4.04Å; I866-Y881 HydrophobicContact CG2-CG 4.13Å; E867-Y881 HydrophobicContact CG-CE1 3.84Å; E867-Y881 PolarHBondContact OE1-OH 2.93Å; I870-Y881 VanDerWaalsContact CD1-CB 3.49Å; I870-Y881 HydrophobicContact CD1-CD1 3.9Å; I870-Y881 HydrophobicContact CD1-CG 3.76Å; L877-Y881 WeakPolarHBondContact O-CB 3.49Å; L877-Y881 PolarHBondContact O-N 2.95Å; K878-Y881 PolarHBondContact O-N 3.35Å; Y881-A883 VanDerWaalsContact C-N 3.3Å; Y881-A883 PolarHBondContact O-N 3.48Å; Y881-Y884 HydrophobicContact CD2-CD1 4.31Å; Y881-Y884 HydrophobicContact CE2-CD1 4.11Å; Y881-Y884 WeakPolarHBondContact O-CB 3.35Å; Y881-Y884 PolarHBondContact O-N 3.37Å; Y881-I885 HydrophobicContact CD1-CD1 4.03Å; Y881-I885 HydrophobicContact CE1-CD1 4.07Å; Y881-I885 WeakPolarHBondContact O-CG1 3.23Å; Y881-I885 PolarHBondContact O-N 3.22Å; Y881-I885 VanDerWaalsContact O-N 3.13Å; Y881-I917 HydrophobicContact CE1-CG2 4.3Å; Y881-V918 HydrophobicContact CE1-CG2 4.15Å; Y881-V918 VanDerWaalsContact OH-CG2 3.28Å; Y881-V918 WeakPolarHBondContact OH-CG2 3.21Å
882D95.5Very high95.7Very high54 Ų5457.4 Ų57.429%0.28931%0.309SS..Hα-helixtrans-62.8-39.2171.2-71.1-14.3000110.6K878 I879 I885 Y886K878-D882 IonicContact NZ-OD1 3.63Å; K878-D882 PolarHBondContact NZ-OD1 3.12Å; K878-D882 IonicContact NZ-OD2 2.67Å; K878-D882 PolarHBondContact NZ-OD2 2.98Å; K878-D882 WeakPolarHBondContact O-CB 3.32Å; K878-D882 VanDerWaalsContact O-CG 3.25Å; K878-D882 PolarHBondContact O-N 3.03Å; I879-D882 PolarHBondContact O-N 3.16Å; D882-I885 PolarHBondContact O-N 3.15Å; D882-Y886 WeakPolarHBondContact O-CB 3.47Å; D882-Y886 PolarHBondContact O-N 2.8Å
883A96.5Very high95.9Very high38 Ų3854.4 Ų54.431%0.31429%0.287SS..Hα-helixtrans-66-37175.400000112.5F819 I879 V880 Y881 Y886 Q887F819-A883 HydrophobicContact CE1-CB 4.38Å; F819-A883 HydrophobicContact CZ-CB 4.5Å; I879-A883 WeakPolarHBondContact O-CB 3.27Å; I879-A883 PolarHBondContact O-N 3.44Å; V880-A883 WeakPolarHBondContact O-CB 3.32Å; V880-A883 PolarHBondContact O-N 2.84Å; Y881-A883 VanDerWaalsContact C-N 3.3Å; Y881-A883 PolarHBondContact O-N 3.48Å; A883-Y886 PolarHBondContact O-N 2.7Å; A883-Q887 WeakPolarHBondContact O-CG 3.27Å; A883-Q887 PolarHBondContact O-N 2.93Å
884Y96.1Very high96Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-57.9-53.4173.8171.4-112.6000111.2N798 F819 L854 V880 Y881 Y886 Q887 I888 V912N798-Y884 VanDerWaalsContact ND2-CE2 3.32Å; N798-Y884 WeakPolarHBondContact ND2-CE2 3.45Å; N798-Y884 PolarHBondContact ND2-OH 3.02Å; F819-Y884 AromaticContact CD2-CD2 3.9Å; F819-Y884 HydrophobicContact CD2-CD2 3.9Å; F819-Y884 AromaticContact CE2-CD2 3.69Å; F819-Y884 HydrophobicContact CE2-CD2 3.69Å; F819-Y884 HydrophobicContact CE2-CG 4.09Å; F819-Y884 VanDerWaalsContact CZ-CB 3.42Å; F819-Y884 HydrophobicContact CZ-CD2 4.21Å; F819-Y884 HydrophobicContact CZ-CG 4.33Å; F819-Y884 VanDerWaalsContact CZ-N 3.34Å; F819-Y884 WeakPolarHBondContact O-CD2 3.3Å; F819-Y884 VanDerWaalsContact O-CE2 3.27Å; F819-Y884 WeakPolarHBondContact O-CE2 3.42Å; L854-Y884 HydrophobicContact CD1-CD1 4.2Å; L854-Y884 HydrophobicContact CD1-CD2 4.38Å; L854-Y884 HydrophobicContact CD1-CE1 4.4Å; L854-Y884 HydrophobicContact CD1-CG 4.21Å; L854-Y884 HydrophobicContact CD2-CG 4.36Å; L854-Y884 HydrophobicContact CG-CD2 4.39Å; L854-Y884 HydrophobicContact CG-CG 4.4Å; V880-Y884 PolarHBondContact O-N 2.88Å; Y881-Y884 HydrophobicContact CD2-CD1 4.31Å; Y881-Y884 HydrophobicContact CE2-CD1 4.11Å; Y881-Y884 WeakPolarHBondContact O-CB 3.35Å; Y881-Y884 PolarHBondContact O-N 3.37Å; Y884-Y886 VanDerWaalsContact C-N 3.32Å; Y884-Y886 PolarHBondContact O-N 3.19Å; Y884-Q887 PolarHBondContact O-N 3.13Å; Y884-I888 HydrophobicContact CD1-CD1 4.17Å; Y884-I888 HydrophobicContact CD2-CD1 4.23Å; Y884-I888 HydrophobicContact CE1-CD1 3.7Å; Y884-I888 HydrophobicContact CE2-CD1 3.78Å; Y884-I888 HydrophobicContact CG-CD1 4.41Å; Y884-I888 VanDerWaalsContact CZ-CD1 3.48Å; Y884-I888 WeakPolarHBondContact O-CG1 3.26Å; Y884-I888 PolarHBondContact O-N 3.11Å; Y884-V912 HydrophobicContact CE1-CG1 4.04Å
885I96.7Very high96.2Very high2 Ų251.5 Ų51.51%0.0126%0.263CS..Hα-helixtrans-62.6-41.4177.8-63.2165.6000110.8Y881 D882 Q887 I888 A889 V918 E921 L922Y881-I885 HydrophobicContact CD1-CD1 4.03Å; Y881-I885 HydrophobicContact CE1-CD1 4.07Å; Y881-I885 WeakPolarHBondContact O-CG1 3.23Å; Y881-I885 PolarHBondContact O-N 3.22Å; Y881-I885 VanDerWaalsContact O-N 3.13Å; D882-I885 PolarHBondContact O-N 3.15Å; I885-Q887 PolarHBondContact O-N 3.39Å; I885-I888 PolarHBondContact O-N 3.24Å; I885-A889 PolarHBondContact O-N 3.29Å; I885-V918 HydrophobicContact CD1-CG2 4.24Å; I885-V918 HydrophobicContact CG1-CG2 4.2Å; I885-E921 HydrophobicContact CD1-CB 4.07Å; I885-E921 HydrophobicContact CD1-CG 4.38Å; I885-E921 HydrophobicContact CG2-CB 3.82Å; I885-L922 HydrophobicContact CG2-CD2 3.87Å; I885-L922 HydrophobicContact CG2-CG 4.02Å
886Y97.3Very high96.4Very high117 Ų11744.3 Ų44.346%0.45923%0.23SC..Hα-helixtrans-61.1-41.7179.7-176-101.4000112.7D882 A883 Y884 A889 K890D882-Y886 WeakPolarHBondContact O-CB 3.47Å; D882-Y886 PolarHBondContact O-N 2.8Å; A883-Y886 PolarHBondContact O-N 2.7Å; Y884-Y886 VanDerWaalsContact C-N 3.32Å; Y884-Y886 PolarHBondContact O-N 3.19Å; Y886-A889 PolarHBondContact O-N 3.03Å; Y886-K890 HydrophobicContact CD1-CD 3.94Å; Y886-K890 HydrophobicContact CD1-CG 4.49Å; Y886-K890 HydrophobicContact CE1-CD 3.48Å; Y886-K890 VanDerWaalsContact CE1-CD 3.48Å; Y886-K890 HydrophobicContact CE1-CG 4.19Å; Y886-K890 WeakPolarHBondContact O-CG 3.34Å; Y886-K890 PolarHBondContact O-N 3.15Å
887Q97.5Very high96.6Very high70 Ų7041.3 Ų41.333%0.32722%0.223SC..Hα-helixtrans-70.1-36.4178-69.2-16818.300112.3P818 F819 A883 Y884 I885 A889 K890 G891P818-Q887 HydrophobicContact CB-CB 3.59Å; F819-Q887 HydrophobicContact CD1-CG 4.47Å; F819-Q887 HydrophobicContact CE1-CG 4.47Å; A883-Q887 WeakPolarHBondContact O-CG 3.27Å; A883-Q887 PolarHBondContact O-N 2.93Å; Y884-Q887 PolarHBondContact O-N 3.13Å; I885-Q887 PolarHBondContact O-N 3.39Å; Q887-A889 VanDerWaalsContact C-N 3.35Å; Q887-K890 WeakPolarHBondContact O-CB 3.25Å; Q887-K890 PolarHBondContact O-N 2.69Å; Q887-G891 PolarHBondContact O-N 2.86Å
888I97.5Very high96.7Very high0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-60.4-47.1173.3-66.5162.8000110.2L794 P818 Y884 I885 K890 G891 I892 L922L794-I888 HydrophobicContact CD1-CD1 4.24Å; L794-I888 HydrophobicContact CD1-CG2 4.41Å; L794-I888 HydrophobicContact CD2-CD1 3.8Å; L794-I888 HydrophobicContact CD2-CG1 4.04Å; L794-I888 HydrophobicContact CD2-CG2 3.93Å; P818-I888 HydrophobicContact CB-CG1 4.09Å; P818-I888 HydrophobicContact CG-CG1 4.14Å; Y884-I888 HydrophobicContact CD1-CD1 4.17Å; Y884-I888 HydrophobicContact CD2-CD1 4.23Å; Y884-I888 HydrophobicContact CE1-CD1 3.7Å; Y884-I888 HydrophobicContact CE2-CD1 3.78Å; Y884-I888 HydrophobicContact CG-CD1 4.41Å; Y884-I888 VanDerWaalsContact CZ-CD1 3.48Å; Y884-I888 WeakPolarHBondContact O-CG1 3.26Å; Y884-I888 PolarHBondContact O-N 3.11Å; I885-I888 PolarHBondContact O-N 3.24Å; I888-K890 VanDerWaalsContact C-N 3.29Å; I888-K890 PolarHBondContact O-N 3.08Å; I888-G891 PolarHBondContact O-N 2.88Å; I888-G891 VanDerWaalsContact O-N 3.1Å; I888-I892 HydrophobicContact CG2-CD1 4.03Å; I888-I892 PolarHBondContact O-N 3.46Å; I888-L922 HydrophobicContact CB-CD2 4.12Å; I888-L922 HydrophobicContact CG2-CD1 4.04Å; I888-L922 HydrophobicContact CG2-CD2 3.81Å
889A97.8Very high96.7Very high10 Ų1039.2 Ų39.28%0.08322%0.218CC..Hα-helixtrans-58.2-41176.600000112.2I885 Y886 Q887 I892 G893 L922 R925 I926I885-A889 PolarHBondContact O-N 3.29Å; Y886-A889 PolarHBondContact O-N 3.03Å; Q887-A889 VanDerWaalsContact C-N 3.35Å; A889-I892 PolarHBondContact O-N 2.89Å; A889-G893 PolarHBondContact O-N 2.8Å; A889-L922 HydrophobicContact CB-CD2 3.95Å; A889-R925 HydrophobicContact CB-CB 3.94Å; A889-I926 HydrophobicContact CB-CG2 3.81Å
890K97.5Very high96.6Very high128 Ų12840.3 Ų40.356%0.55723%0.226SC*.Hα-helixtrans-61.9-43.3174.2-76.5178.859.4-177.50112.4Y886 Q887 I888 G893 S894Y886-K890 HydrophobicContact CD1-CD 3.94Å; Y886-K890 HydrophobicContact CD1-CG 4.49Å; Y886-K890 HydrophobicContact CE1-CD 3.48Å; Y886-K890 VanDerWaalsContact CE1-CD 3.48Å; Y886-K890 HydrophobicContact CE1-CG 4.19Å; Y886-K890 WeakPolarHBondContact O-CG 3.34Å; Y886-K890 PolarHBondContact O-N 3.15Å; Q887-K890 WeakPolarHBondContact O-CB 3.25Å; Q887-K890 PolarHBondContact O-N 2.69Å; I888-K890 VanDerWaalsContact C-N 3.29Å; I888-K890 PolarHBondContact O-N 3.08Å; K890-G893 PolarHBondContact O-N 3.38Å; K890-S894 PolarHBondContact O-N 2.91Å; K890-S894 PolarHBondContact O-OG 3.2Å; K890-S894 VanDerWaalsContact O-OG 3.12Å
891G96.6Very high96.5Very high7 Ų741 Ų417%0.07224%0.237CC..Hα-helixtrans-61.8-44.2178.300000112.5I812 Q887 I888 S894 L895I812-G891 VanDerWaalsContact CD1-O 3.31Å; I812-G891 WeakPolarHBondContact CD1-O 3.49Å; Q887-G891 PolarHBondContact O-N 2.86Å; I888-G891 PolarHBondContact O-N 2.88Å; I888-G891 VanDerWaalsContact O-N 3.1Å; G891-S894 WeakPolarHBondContact CA-OG 3.42Å; G891-S894 PolarHBondContact O-N 3.39Å; G891-S894 PolarHBondContact O-OG 3.48Å; G891-L895 PolarHBondContact O-N 2.94Å
892I97.6Very high96.5Very high0 Ų046.9 Ų46.90%027%0.268CS..Hα-helixtrans-63.3-46174.1-65.8167.2000110.7I790 A792 I800 I888 A889 S894 L895 A896 I906 L908 I926I790-I892 HydrophobicContact CD1-CG2 4.13Å; I790-I892 HydrophobicContact CG2-CB 4.48Å; I790-I892 HydrophobicContact CG2-CG1 4.25Å; I790-I892 HydrophobicContact CG2-CG2 4.01Å; A792-I892 HydrophobicContact CB-CD1 4.08Å; A792-I892 HydrophobicContact CB-CG1 4.42Å; I800-I892 HydrophobicContact CD1-CG1 4.21Å; I800-I892 HydrophobicContact CG2-CG1 3.84Å; I888-I892 HydrophobicContact CG2-CD1 4.03Å; I888-I892 PolarHBondContact O-N 3.46Å; A889-I892 PolarHBondContact O-N 2.89Å; I892-S894 VanDerWaalsContact C-N 3.3Å; I892-S894 PolarHBondContact O-N 3.14Å; I892-L895 PolarHBondContact O-N 2.9Å; I892-L895 VanDerWaalsContact O-N 3.15Å; I892-A896 PolarHBondContact O-N 2.91Å; I892-I906 HydrophobicContact CD1-CG2 4.15Å; I892-I906 HydrophobicContact CG2-CD1 3.9Å; I892-I906 HydrophobicContact CG2-CG1 4.26Å; I892-I906 HydrophobicContact CG2-CG2 4.26Å; I892-L908 HydrophobicContact CD1-CD2 4.26Å; I892-I926 HydrophobicContact CB-CD1 4.19Å; I892-I926 HydrophobicContact CD1-CD1 3.4Å; I892-I926 HydrophobicContact CG1-CD1 4.37Å; I892-I926 HydrophobicContact CG2-CD1 3.89Å
893G97.3Very high96.6Very high26 Ų2645 Ų4527%0.26826%0.259SS..Hα-helixtrans-59.8-37.1177.500000113.6A889 K890 A896A889-G893 PolarHBondContact O-N 2.8Å; K890-G893 PolarHBondContact O-N 3.38Å; G893-A896 PolarHBondContact O-N 2.85Å
894S96.5Very high96.6Very high55 Ų5546.1 Ų46.139%0.38526%0.26SS..Hα-helixtrans-69.7-34.5175.347.70000113.2I812 K890 G891 I892 T897I812-S894 VanDerWaalsContact CD1-OG 3.29Å; I812-S894 WeakPolarHBondContact CD1-OG 3.25Å; K890-S894 PolarHBondContact O-N 2.91Å; K890-S894 PolarHBondContact O-OG 3.2Å; K890-S894 VanDerWaalsContact O-OG 3.12Å; G891-S894 WeakPolarHBondContact CA-OG 3.42Å; G891-S894 PolarHBondContact O-N 3.39Å; G891-S894 PolarHBondContact O-OG 3.48Å; I892-S894 VanDerWaalsContact C-N 3.3Å; I892-S894 PolarHBondContact O-N 3.14Å; S894-T897 PolarHBondContact O-N 3.45Å; S894-T897 PolarHBondContact O-OG1 2.87Å
895L97.4Very high96.7Very high3 Ų348.7 Ų48.72%0.01627%0.269CS..Hα-helixtrans-75.2-28.9176.5-72.8175.3000112.1I790 I800 I802 D810 I812 G891 I892 T897 V898I790-L895 HydrophobicContact CD1-CB 4.25Å; I800-L895 HydrophobicContact CB-CD1 3.91Å; I800-L895 HydrophobicContact CG2-CD1 3.6Å; I800-L895 VanDerWaalsContact O-CD1 3.3Å; I800-L895 WeakPolarHBondContact O-CD1 3.48Å; I802-L895 HydrophobicContact CB-CB 4.34Å; I802-L895 WeakPolarHBondContact CD1-O 3.42Å; I802-L895 HydrophobicContact CG2-CD2 4.17Å; D810-L895 HydrophobicContact CB-CD2 4.05Å; I812-L895 HydrophobicContact CD1-CD1 4.12Å; I812-L895 HydrophobicContact CD1-CD2 4.38Å; I812-L895 HydrophobicContact CD1-CG 3.85Å; I812-L895 HydrophobicContact CG1-CD1 4.12Å; I812-L895 HydrophobicContact CG1-CD2 4.13Å; I812-L895 HydrophobicContact CG1-CG 4.05Å; G891-L895 PolarHBondContact O-N 2.94Å; I892-L895 PolarHBondContact O-N 2.9Å; I892-L895 VanDerWaalsContact O-N 3.15Å; L895-T897 PolarHBondContact O-N 3.47Å; L895-V898 HydrophobicContact CD2-CG2 4.24Å; L895-V898 VanDerWaalsContact O-CB 3.22Å; L895-V898 WeakPolarHBondContact O-CB 3.19Å; L895-V898 WeakPolarHBondContact O-CG2 3.36Å; L895-V898 PolarHBondContact O-N 3.1Å
896A97.5Very high96.7Very high6 Ų648.6 Ų48.65%0.0527%0.269CS..Hα-helixtrans-59.7-26.8173.900000112.9I790 I892 G893 V898 S899 G901 V903 I929I790-A896 HydrophobicContact CD1-CB 3.91Å; I892-A896 PolarHBondContact O-N 2.91Å; G893-A896 PolarHBondContact O-N 2.85Å; A896-V898 PolarHBondContact O-N 3.44Å; A896-S899 PolarHBondContact O-N 3.23Å; A896-G901 WeakPolarHBondContact O-CA 3.42Å; A896-G901 PolarHBondContact O-N 3.25Å; A896-V903 HydrophobicContact CB-CG2 4.31Å; A896-I929 HydrophobicContact CB-CD1 4Å; A896-I929 HydrophobicContact CB-CG2 3.67Å
897T97Very high96.7Very high102 Ų10243 Ų4363%0.62625%0.247SC*.THydrogen-bonded Turntrans-72.8-18.3176.469.10000113S894 L895 S899 N900S894-T897 PolarHBondContact O-N 3.45Å; S894-T897 PolarHBondContact O-OG1 2.87Å; L895-T897 PolarHBondContact O-N 3.47Å; T897-S899 VanDerWaalsContact C-N 3.32Å; T897-S899 PolarHBondContact O-N 3.03Å; T897-N900 PolarHBondContact O-N 2.94Å
898V96.3Very high96.7Very high47 Ų4739.8 Ų39.829%0.28523%0.232SC..THydrogen-bonded Turntrans-64.6-37.1176.6-179.70000110.9I802 I809 D810 L895 A896I802-V898 HydrophobicContact CD1-CB 4.1Å; I802-V898 HydrophobicContact CD1-CG1 4.49Å; I802-V898 HydrophobicContact CG2-CB 4.27Å; I802-V898 HydrophobicContact CG2-CG1 4.13Å; I809-V898 HydrophobicContact CD1-CG1 3.69Å; I809-V898 HydrophobicContact CG1-CG1 4.26Å; D810-V898 HydrophobicContact CB-CG2 4.43Å; L895-V898 HydrophobicContact CD2-CG2 4.24Å; L895-V898 VanDerWaalsContact O-CB 3.22Å; L895-V898 WeakPolarHBondContact O-CB 3.19Å; L895-V898 WeakPolarHBondContact O-CG2 3.36Å; L895-V898 PolarHBondContact O-N 3.1Å; A896-V898 PolarHBondContact O-N 3.44Å
899S94.3Very high96.6Very high7 Ų739.8 Ų39.85%0.04923%0.232CC..THydrogen-bonded Turntrans-99.521.3175.265.90000114A896 T897 G901 L902A896-S899 PolarHBondContact O-N 3.23Å; T897-S899 VanDerWaalsContact C-N 3.32Å; T897-S899 PolarHBondContact O-N 3.03Å; S899-G901 PolarHBondContact O-N 3.26Å; S899-L902 WeakPolarHBondContact CB-O 3.21Å; S899-L902 WeakPolarHBondContact O-CB 3.19Å; S899-L902 PolarHBondContact O-N 3.33Å; S899-L902 PolarHBondContact OG-O 2.97Å
900N94.5Very high96.2Very high146 Ų14639.3 Ų39.378%0.78123%0.228SC*.THydrogen-bonded Turntrans55.931.5-175.9-54.6-67.3000113.9T897 L902T897-N900 PolarHBondContact O-N 2.94Å; N900-L902 VanDerWaalsContact C-N 3.28Å; N900-L902 PolarHBondContact O-N 3.4Å
901G93.1Very high95.8Very high38 Ų3835.5 Ų35.539%0.39223%0.225SC..THydrogen-bonded Turntrans80.90.3-177.900000114.6A896 S899 V903A896-G901 WeakPolarHBondContact O-CA 3.42Å; A896-G901 PolarHBondContact O-N 3.25Å; S899-G901 PolarHBondContact O-N 3.26Å; G901-V903 PolarHBondContact O-N 3.3Å
902L95.5Very high95.5Very high129 Ų12935.5 Ų35.568%0.67522%0.224SC*.  trans-82.994177.2-58.2176.4000109.2T788 S899 N900T788-L902 WeakPolarHBondContact CB-O 3.48Å; T788-L902 VanDerWaalsContact CG2-O 3.27Å; T788-L902 WeakPolarHBondContact CG2-O 3.39Å; S899-L902 WeakPolarHBondContact CB-O 3.21Å; S899-L902 WeakPolarHBondContact O-CB 3.19Å; S899-L902 PolarHBondContact O-N 3.33Å; S899-L902 PolarHBondContact OG-O 2.97Å; N900-L902 VanDerWaalsContact C-N 3.28Å; N900-L902 PolarHBondContact O-N 3.4Å
903V97.4Very high95.2Very high15 Ų1535.9 Ų35.99%0.09123%0.227CC..  trans-130127.4179.5-178.50000107.8I790 A896 G901 R905 I906 I929 A930I790-V903 HydrophobicContact CD1-CG1 4.23Å; I790-V903 HydrophobicContact CD1-CG2 3.85Å; I790-V903 HydrophobicContact CG1-CG1 4.05Å; I790-V903 HydrophobicContact CG1-CG2 4.23Å; A896-V903 HydrophobicContact CB-CG2 4.31Å; G901-V903 PolarHBondContact O-N 3.3Å; V903-R905 WeakPolarHBondContact CG1-O 3.44Å; V903-I906 HydrophobicContact CG1-CG1 4.23Å; V903-I929 HydrophobicContact CB-CG2 4.2Å; V903-I929 HydrophobicContact CG2-CG2 4.1Å; V903-A930 HydrophobicContact CB-CB 3.99Å; V903-A930 HydrophobicContact CG1-CB 3.84Å; V903-A930 VanDerWaalsContact O-CB 3.24Å; V903-A930 WeakPolarHBondContact O-CB 3.41Å
904D97.5Very high95Very high61 Ų6142.3 Ų42.333%0.32624%0.244SC..SBendtrans-79.4-42.7-179.8-61.7-60.4000111.1L782 S787 T788L782-D904 HydrophobicContact CD1-CB 3.96Å; S787-D904 VanDerWaalsContact CA-OD2 3.24Å; S787-D904 WeakPolarHBondContact CA-OD2 3.46Å; S787-D904 VanDerWaalsContact CB-OD2 3.31Å; S787-D904 WeakPolarHBondContact CB-OD2 3.3Å; T788-D904 PolarHBondContact N-OD2 3.46Å; T788-D904 WeakPolarHBondContact O-CB 3.34Å; T788-D904 PolarHBondContact O-N 3.27Å
905R97.4Very high94.8Very high54 Ų5440.3 Ų40.320%0.20423%0.23CC..EExtended strand (participates in β ladder)trans-148149.8-179.6-68.4-62.4-177.3-86.7-2112.7V776 E780 L782 L789 I790 V903V776-R905 HydrophobicContact CG1-CB 4.04Å; V776-R905 HydrophobicContact CG1-CG 4.13Å; E780-R905 HydrophobicContact CG-CG 4.44Å; E780-R905 IonicContact OE2-CZ 3.58Å; E780-R905 IonicContact OE2-NE 2.78Å; E780-R905 PolarHBondContact OE2-NE 3.16Å; E780-R905 IonicContact OE2-NH2 3.61Å; E780-R905 PolarHBondContact OE2-NH2 3.05Å; L782-R905 HydrophobicContact CD1-CG 3.98Å; L789-R905 WeakPolarHBondContact CA-O 3.45Å; L789-R905 HydrophobicContact CD2-CB 4.13Å; I790-R905 PolarHBondContact N-O 3.01Å; V903-R905 WeakPolarHBondContact CG1-O 3.44Å
906I97.9Very high94.5Very high0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-110.5118.3167.7-65.5161.8000108.3I790 I892 V903 L908 I926 I929 A930 P931 I932 V933I790-I906 HydrophobicContact CB-CG1 4.26Å; I790-I906 CarbonylContact O-C 3.49Å; I790-I906 WeakPolarHBondContact O-CA 3.38Å; I892-I906 HydrophobicContact CD1-CG2 4.15Å; I892-I906 HydrophobicContact CG2-CD1 3.9Å; I892-I906 HydrophobicContact CG2-CG1 4.26Å; I892-I906 HydrophobicContact CG2-CG2 4.26Å; V903-I906 HydrophobicContact CG1-CG1 4.23Å; I906-L908 HydrophobicContact CG2-CD2 4.37Å; I906-I926 HydrophobicContact CD1-CB 4.37Å; I906-I926 HydrophobicContact CD1-CD1 4.19Å; I906-I926 HydrophobicContact CD1-CG1 4.02Å; I906-I926 HydrophobicContact CG2-CD1 4.18Å; I906-I929 HydrophobicContact CD1-CB 4.12Å; I906-I929 HydrophobicContact CD1-CG2 4.24Å; I906-A930 HydrophobicContact CD1-CB 4.2Å; I906-A930 HydrophobicContact CG1-CB 4.17Å; I906-P931 PolarHBondContact N-O 3.32Å; I906-I932 HydrophobicContact CB-CG1 4.2Å; I906-I932 HydrophobicContact CG2-CG1 4.36Å; I906-I932 CarbonylContact O-C 3.54Å; I906-I932 VanDerWaalsContact O-CA 3.26Å; I906-I932 WeakPolarHBondContact O-CA 3.38Å; I906-V933 PolarHBondContact O-N 3.37Å
907A97.1Very high94.3Very high0 Ų051.6 Ų51.60%028%0.28CS..EExtended strand (participates in β ladder)trans-101.6128.3179.500000111.5V772 V776 I790 V791 A792 V933V772-A907 HydrophobicContact CG1-CB 3.7Å; V776-A907 HydrophobicContact CG2-CB 3.97Å; I790-A907 PolarHBondContact O-N 3.39Å; V791-A907 CarbonylContact C-O 3.38Å; V791-A907 WeakPolarHBondContact CA-O 3.33Å; V791-A907 HydrophobicContact CG1-CB 4.35Å; V791-A907 HydrophobicContact CG2-CB 4.22Å; A792-A907 PolarHBondContact N-O 3.16Å; A907-V933 CarbonylContact C-O 3.6Å; A907-V933 VanDerWaalsContact CA-O 3.3Å; A907-V933 WeakPolarHBondContact CA-O 3.32Å
908L96.7Very high94.1Very high1 Ų146.8 Ų46.81%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-103.3126.2172.9-54-179.2000109.6A792 L794 I892 I906 A913 A919 L922 I932 V933 V935A792-L908 HydrophobicContact CB-CD2 3.93Å; L794-L908 HydrophobicContact CD1-CD2 4.46Å; I892-L908 HydrophobicContact CD1-CD2 4.26Å; I906-L908 HydrophobicContact CG2-CD2 4.37Å; L908-A913 HydrophobicContact CB-CB 4.2Å; L908-A919 HydrophobicContact CD1-CB 4.36Å; L908-L922 HydrophobicContact CD1-CD1 3.69Å; L908-L922 HydrophobicContact CD2-CD1 3.92Å; L908-L922 HydrophobicContact CG-CD1 4.48Å; L908-I932 HydrophobicContact CD1-CG2 3.68Å; L908-I932 HydrophobicContact CG-CG2 3.68Å; L908-V933 PolarHBondContact N-O 3.49Å; L908-V935 CarbonylContact O-C 3.52Å; L908-V935 PolarHBondContact O-N 2.67Å
909T95.3Very high94Very high0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-138.6177.6-179.5-172.50000111.6N768 V772 V791 A792 H793 L794 V935 G937N768-T909 WeakPolarHBondContact ND2-CG2 3.18Å; N768-T909 PolarHBondContact ND2-OG1 3.49Å; N768-T909 VanDerWaalsContact ND2-OG1 3.14Å; V772-T909 HydrophobicContact CG1-CG2 4.49Å; V772-T909 HydrophobicContact CG2-CG2 4.14Å; V772-T909 WeakPolarHBondContact CG2-OG1 3.46Å; V791-T909 HydrophobicContact CG1-CG2 3.99Å; A792-T909 PolarHBondContact O-N 3.28Å; H793-T909 HydrophobicContact CB-CG2 3.95Å; L794-T909 PolarHBondContact N-O 3Å; T909-V935 VanDerWaalsContact CA-O 3.32Å; T909-V935 WeakPolarHBondContact CA-O 3.27Å; T909-V935 WeakPolarHBondContact CB-O 3.27Å; T909-V935 PolarHBondContact OG1-O 3.02Å; T909-G937 PolarHBondContact OG1-O 3.38Å; T909-G937 VanDerWaalsContact OG1-O 3.07Å
910G90Very high94.1Very high0 Ų048.9 Ų48.90%027%0.266CS..BIsolated β-bridgetrans87.5178-173.100000113.2L794 V912 A913 G937L794-G910 CarbonylContact O-C 3.42Å; L794-G910 WeakPolarHBondContact O-CA 3.39Å; G910-V912 VanDerWaalsContact C-N 3.28Å; G910-V912 PolarHBondContact O-N 2.49Å; G910-A913 WeakPolarHBondContact O-CB 3.39Å; G910-A913 PolarHBondContact O-N 3.06Å; G910-G937 WeakPolarHBondContact CA-O 3.45Å; G910-G937 PolarHBondContact N-O 3.18Å; G910-G937 PolarHBondContact O-N 3.36Å; G910-G937 VanDerWaalsContact O-N 3.13Å
911G88Confident94.1Very high49 Ų4944.4 Ų44.451%0.50524%0.24SC..G310 helixtrans-65.4-26.9-173.700000114.4L794 A913 Y914L794-G911 PolarHBondContact O-N 3.22Å; L794-G911 VanDerWaalsContact O-N 3.17Å; G911-A913 VanDerWaalsContact C-N 3.34Å; G911-Y914 WeakPolarHBondContact O-CD2 3.37Å
912V91.1Very high94.3Very high7 Ų742.6 Ų42.64%0.04222%0.222CC..G310 helixtrans-78.7-20.9178.9178.80000111.8L794 T821 A863 Y884 G910 Y914 S915 V918L794-V912 HydrophobicContact CB-CB 3.81Å; L794-V912 HydrophobicContact CB-CG1 4.41Å; L794-V912 PolarHBondContact O-N 2.6Å; T821-V912 HydrophobicContact CG2-CG2 3.89Å; A863-V912 HydrophobicContact CB-CG2 4.4Å; Y884-V912 HydrophobicContact CE1-CG1 4.04Å; G910-V912 VanDerWaalsContact C-N 3.28Å; G910-V912 PolarHBondContact O-N 2.49Å; V912-Y914 PolarHBondContact O-N 3.12Å; V912-Y914 VanDerWaalsContact O-N 3.08Å; V912-S915 WeakPolarHBondContact O-CB 3.45Å; V912-S915 PolarHBondContact O-N 3.48Å; V912-V918 HydrophobicContact CG1-CB 4.43Å; V912-V918 HydrophobicContact CG1-CG1 4.24Å; V912-V918 HydrophobicContact CG1-CG2 3.94Å
913A92.1Very high94.3Very high7 Ų740.4 Ų40.46%0.05821%0.208CC..G310 helixtrans-66.2-9.9177.600000113.7L908 G910 G911 S915 P936L908-A913 HydrophobicContact CB-CB 4.2Å; G910-A913 WeakPolarHBondContact O-CB 3.39Å; G910-A913 PolarHBondContact O-N 3.06Å; G911-A913 VanDerWaalsContact C-N 3.34Å; A913-S915 PolarHBondContact O-N 3.18Å; A913-P936 HydrophobicContact CB-CB 4.44Å
914Y91.7Very high94.3Very high162 Ų16246.7 Ų46.764%0.63523%0.234SC*.G310 helixtrans-68.3-20.5166.9-74.6-76000113.2G911 V912 K916 P936G911-Y914 WeakPolarHBondContact O-CD2 3.37Å; V912-Y914 PolarHBondContact O-N 3.12Å; V912-Y914 VanDerWaalsContact O-N 3.08Å; Y914-K916 PolarHBondContact O-N 2.98Å; Y914-P936 HydrophobicContact CD1-CB 3.48Å; Y914-P936 VanDerWaalsContact CD1-CB 3.48Å; Y914-P936 HydrophobicContact CD1-CG 4.26Å; Y914-P936 HydrophobicContact CD2-CB 3.91Å; Y914-P936 HydrophobicContact CE1-CB 3.48Å; Y914-P936 VanDerWaalsContact CE1-CB 3.48Å; Y914-P936 HydrophobicContact CE1-CG 4.45Å; Y914-P936 HydrophobicContact CE2-CB 3.92Å; Y914-P936 HydrophobicContact CG-CB 3.69Å
915S92.3Very high94.2Very high13 Ų1348.4 Ų48.49%0.09124%0.236CC..  trans-75.3117.4179.3171.40000111.7E867 V912 A913 I917 V918 A919E867-S915 WeakPolarHBondContact OE1-CB 3.33Å; E867-S915 PolarHBondContact OE1-OG 3.13Å; V912-S915 WeakPolarHBondContact O-CB 3.45Å; V912-S915 PolarHBondContact O-N 3.48Å; A913-S915 PolarHBondContact O-N 3.18Å; S915-I917 VanDerWaalsContact C-N 3.28Å; S915-I917 PolarHBondContact O-N 3.3Å; S915-I917 PolarHBondContact OG-N 3.48Å; S915-V918 PolarHBondContact O-N 2.96Å; S915-V918 WeakPolarHBondContact OG-CG2 3.48Å; S915-V918 PolarHBondContact OG-N 3.46Å; S915-A919 PolarHBondContact O-N 3.27Å; S915-A919 VanDerWaalsContact O-N 3.14Å
916K92.2Very high94.2Very high176 Ų17646 Ų4677%0.76523%0.227SC*.Hα-helixtrans-66.2-31.2171-66.6-172.9178.2-176.10112.5Y914 T920Y914-K916 PolarHBondContact O-N 2.98Å; K916-T920 VanDerWaalsContact O-CB 3.25Å; K916-T920 WeakPolarHBondContact O-CB 3.28Å; K916-T920 PolarHBondContact O-N 2.76Å; K916-T920 PolarHBondContact O-OG1 2.84Å
917I92.5Very high94.1Very high70 Ų7047.1 Ų47.136%0.35924%0.239SC..Hα-helixtrans-64.4-50.5178.4-62.8175.9000109E867 Y881 S915 A919 T920 E921E867-I917 HydrophobicContact CB-CD1 4.39Å; E867-I917 HydrophobicContact CG-CD1 4.05Å; Y881-I917 HydrophobicContact CE1-CG2 4.3Å; S915-I917 VanDerWaalsContact C-N 3.28Å; S915-I917 PolarHBondContact O-N 3.3Å; S915-I917 PolarHBondContact OG-N 3.48Å; I917-A919 PolarHBondContact O-N 2.84Å; I917-T920 PolarHBondContact O-N 3.32Å; I917-E921 HydrophobicContact CG2-CG 4.43Å; I917-E921 WeakPolarHBondContact O-CB 3.47Å; I917-E921 WeakPolarHBondContact O-CG 3.27Å; I917-E921 PolarHBondContact O-N 2.93Å
918V93.5Very high94.1Very high1 Ų155.5 Ų55.51%0.00628%0.276CS..Hα-helixtrans-60-49.1178.31740000110.7L794 Y881 I885 V912 S915 T920 E921 L922L794-V918 HydrophobicContact CD1-CG1 4.34Å; Y881-V918 HydrophobicContact CE1-CG2 4.15Å; Y881-V918 VanDerWaalsContact OH-CG2 3.28Å; Y881-V918 WeakPolarHBondContact OH-CG2 3.21Å; I885-V918 HydrophobicContact CD1-CG2 4.24Å; I885-V918 HydrophobicContact CG1-CG2 4.2Å; V912-V918 HydrophobicContact CG1-CB 4.43Å; V912-V918 HydrophobicContact CG1-CG1 4.24Å; V912-V918 HydrophobicContact CG1-CG2 3.94Å; S915-V918 PolarHBondContact O-N 2.96Å; S915-V918 WeakPolarHBondContact OG-CG2 3.48Å; S915-V918 PolarHBondContact OG-N 3.46Å; V918-T920 PolarHBondContact O-N 2.93Å; V918-E921 PolarHBondContact O-N 2.97Å; V918-L922 HydrophobicContact CG1-CD1 3.73Å; V918-L922 HydrophobicContact CG1-CG 4.31Å; V918-L922 WeakPolarHBondContact O-CB 3.07Å; V918-L922 VanDerWaalsContact O-CG 3.27Å; V918-L922 WeakPolarHBondContact O-CG 3.47Å; V918-L922 PolarHBondContact O-N 3.5Å
919A94.2Very high94.1Very high24 Ų2456.8 Ų56.820%0.19828%0.282CS..Hα-helixtrans-59.5-43.9179.400000112.5L908 S915 I917 L922 E923L908-A919 HydrophobicContact CD1-CB 4.36Å; S915-A919 PolarHBondContact O-N 3.27Å; S915-A919 VanDerWaalsContact O-N 3.14Å; I917-A919 PolarHBondContact O-N 2.84Å; A919-L922 PolarHBondContact O-N 2.67Å; A919-E923 WeakPolarHBondContact O-CB 3.49Å; A919-E923 PolarHBondContact O-N 2.67Å
920T95.2Very high94.2Very high74 Ų7457 Ų5745%0.45428%0.284SS..Hα-helixtrans-69.5-41.8-178.6-62.70000112.4K916 I917 V918 E923 K924K916-T920 VanDerWaalsContact O-CB 3.25Å; K916-T920 WeakPolarHBondContact O-CB 3.28Å; K916-T920 PolarHBondContact O-N 2.76Å; K916-T920 PolarHBondContact O-OG1 2.84Å; I917-T920 PolarHBondContact O-N 3.32Å; V918-T920 PolarHBondContact O-N 2.93Å; T920-E923 PolarHBondContact O-N 3.4Å; T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 3.3Å
921E95.4Very high94.5Very high51 Ų5160.2 Ų60.224%0.23831%0.305CS..Hα-helixtrans-72.5-30.3178.1-70.1-56.7130.700112.4I885 I917 V918 K924 R925I885-E921 HydrophobicContact CD1-CB 4.07Å; I885-E921 HydrophobicContact CD1-CG 4.38Å; I885-E921 HydrophobicContact CG2-CB 3.82Å; I917-E921 HydrophobicContact CG2-CG 4.43Å; I917-E921 WeakPolarHBondContact O-CB 3.47Å; I917-E921 WeakPolarHBondContact O-CG 3.27Å; I917-E921 PolarHBondContact O-N 2.93Å; V918-E921 PolarHBondContact O-N 2.97Å; E921-K924 IonicContact OE1-NZ 2.67Å; E921-K924 PolarHBondContact OE1-NZ 3.45Å; E921-K924 IonicContact OE2-NZ 3.32Å; E921-R925 WeakPolarHBondContact O-CG 3.48Å
922L96.7Very high94.8Very high0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-66.4-48.5168.8-73.6173.9000110.8L794 I885 I888 A889 L908 V918 A919 K924 R925 I926 I932L794-L922 HydrophobicContact CD1-CD1 4.35Å; I885-L922 HydrophobicContact CG2-CD2 3.87Å; I885-L922 HydrophobicContact CG2-CG 4.02Å; I888-L922 HydrophobicContact CB-CD2 4.12Å; I888-L922 HydrophobicContact CG2-CD1 4.04Å; I888-L922 HydrophobicContact CG2-CD2 3.81Å; A889-L922 HydrophobicContact CB-CD2 3.95Å; L908-L922 HydrophobicContact CD1-CD1 3.69Å; L908-L922 HydrophobicContact CD2-CD1 3.92Å; L908-L922 HydrophobicContact CG-CD1 4.48Å; V918-L922 HydrophobicContact CG1-CD1 3.73Å; V918-L922 HydrophobicContact CG1-CG 4.31Å; V918-L922 WeakPolarHBondContact O-CB 3.07Å; V918-L922 VanDerWaalsContact O-CG 3.27Å; V918-L922 WeakPolarHBondContact O-CG 3.47Å; V918-L922 PolarHBondContact O-N 3.5Å; A919-L922 PolarHBondContact O-N 2.67Å; L922-K924 VanDerWaalsContact C-N 3.28Å; L922-K924 PolarHBondContact O-N 3.43Å; L922-R925 CarbonylContact O-C 3.21Å; L922-R925 WeakPolarHBondContact O-CA 3.43Å; L922-R925 PolarHBondContact O-N 2.94Å; L922-I926 HydrophobicContact CB-CD1 4.19Å; L922-I926 HydrophobicContact CD2-CD1 4.43Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 3.44Å; L922-I932 HydrophobicContact CB-CD1 4.2Å
923E96.2Very high95.1Very high84 Ų8460.2 Ų60.239%0.39329%0.294SS..Hα-helixtrans-51-46.1177.9-175.361.7-147.200112.1A919 T920 R925 G927 I932A919-E923 WeakPolarHBondContact O-CB 3.49Å; A919-E923 PolarHBondContact O-N 2.67Å; T920-E923 PolarHBondContact O-N 3.4Å; E923-R925 PolarHBondContact O-N 3.12Å; E923-R925 VanDerWaalsContact O-N 3.16Å; E923-G927 WeakPolarHBondContact O-CA 3.43Å; E923-G927 PolarHBondContact O-N 3.29Å; E923-I932 VanDerWaalsContact CA-CD1 3.47Å; E923-I932 HydrophobicContact CB-CD1 4.07Å; E923-I932 WeakPolarHBondContact OE2-CB 3.48Å; E923-I932 WeakPolarHBondContact OE2-CD1 3.27Å; E923-I932 WeakPolarHBondContact OE2-CG1 3.19Å
924K96.7Very high95.2Very high146 Ų14662.2 Ų62.264%0.63531%0.311SS*.Hα-helixtrans-58.1-30.4176-70.6173.2-174.6172.60113.8T920 E921 L922T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 3.3Å; E921-K924 IonicContact OE1-NZ 2.67Å; E921-K924 PolarHBondContact OE1-NZ 3.45Å; E921-K924 IonicContact OE2-NZ 3.32Å; L922-K924 VanDerWaalsContact C-N 3.28Å; L922-K924 PolarHBondContact O-N 3.43Å
925R97Very high95.3Very high97 Ų9754.8 Ų54.837%0.36628%0.282SS..Hα-helixtrans-96-33.2-173.2-67.4177.9-175.4-74.51.9113.3A889 E921 L922 E923 F928A889-R925 HydrophobicContact CB-CB 3.94Å; E921-R925 WeakPolarHBondContact O-CG 3.48Å; L922-R925 CarbonylContact O-C 3.21Å; L922-R925 WeakPolarHBondContact O-CA 3.43Å; L922-R925 PolarHBondContact O-N 2.94Å; E923-R925 PolarHBondContact O-N 3.12Å; E923-R925 VanDerWaalsContact O-N 3.16Å; R925-F928 WeakPolarHBondContact O-CD1 3.43Å; R925-F928 WeakPolarHBondContact O-CE1 3.41Å
926I96.7Very high95.1Very high3 Ų356.4 Ų56.42%0.01529%0.292CS..Hα-helixtrans-126.6-2.9-171.873.1-167.4000113.9A889 I892 I906 L922 F928 I929 I932A889-I926 HydrophobicContact CB-CG2 3.81Å; I892-I926 HydrophobicContact CB-CD1 4.19Å; I892-I926 HydrophobicContact CD1-CD1 3.4Å; I892-I926 HydrophobicContact CG1-CD1 4.37Å; I892-I926 HydrophobicContact CG2-CD1 3.89Å; I906-I926 HydrophobicContact CD1-CB 4.37Å; I906-I926 HydrophobicContact CD1-CD1 4.19Å; I906-I926 HydrophobicContact CD1-CG1 4.02Å; I906-I926 HydrophobicContact CG2-CD1 4.18Å; L922-I926 HydrophobicContact CB-CD1 4.19Å; L922-I926 HydrophobicContact CD2-CD1 4.43Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 3.44Å; I926-F928 PolarHBondContact O-N 3.23Å; I926-F928 VanDerWaalsContact O-N 3.1Å; I926-I929 HydrophobicContact CB-CD1 4.14Å; I926-I929 HydrophobicContact CG2-CD1 4.44Å; I926-I929 VanDerWaalsContact O-CB 3.28Å; I926-I929 WeakPolarHBondContact O-CB 3.45Å; I926-I929 PolarHBondContact O-N 3.17Å; I926-I932 HydrophobicContact CD1-CD1 3.8Å; I926-I932 HydrophobicContact CG1-CD1 3.58Å; I926-I932 HydrophobicContact CG1-CG1 4.27Å
927G95.9Very high94.8Very high25 Ų2548.5 Ų48.526%0.25826%0.26SS..THydrogen-bonded Turntrans-62.1-17.4176.500000113.6E923 I929E923-G927 WeakPolarHBondContact O-CA 3.43Å; E923-G927 PolarHBondContact O-N 3.29Å; G927-I929 PolarHBondContact O-N 3.23Å
928F96.5Very high94Very high176 Ų17649.8 Ų49.877%0.77227%0.265SS*.THydrogen-bonded Turntrans-71-17.4170.982.1-89.2000113.6R925 I926R925-F928 WeakPolarHBondContact O-CD1 3.43Å; R925-F928 WeakPolarHBondContact O-CE1 3.41Å; I926-F928 PolarHBondContact O-N 3.23Å; I926-F928 VanDerWaalsContact O-N 3.1Å
929I97.1Very high93.6Very high27 Ų2751.5 Ų51.514%0.13827%0.273CS..THydrogen-bonded Turntrans-83.7-56.6177.9-58.2176.1000109.1A896 V903 I906 I926 G927A896-I929 HydrophobicContact CB-CD1 4Å; A896-I929 HydrophobicContact CB-CG2 3.67Å; V903-I929 HydrophobicContact CB-CG2 4.2Å; V903-I929 HydrophobicContact CG2-CG2 4.1Å; I906-I929 HydrophobicContact CD1-CB 4.12Å; I906-I929 HydrophobicContact CD1-CG2 4.24Å; I926-I929 HydrophobicContact CB-CD1 4.14Å; I926-I929 HydrophobicContact CG2-CD1 4.44Å; I926-I929 VanDerWaalsContact O-CB 3.28Å; I926-I929 WeakPolarHBondContact O-CB 3.45Å; I926-I929 PolarHBondContact O-N 3.17Å; G927-I929 PolarHBondContact O-N 3.23Å
930A96.9Very high93.2Very high5 Ų550.6 Ų50.64%0.04127%0.265CS..SBendtrans-162.2159.5177.700000110.7V903 I906V903-A930 HydrophobicContact CB-CB 3.99Å; V903-A930 HydrophobicContact CG1-CB 3.84Å; V903-A930 VanDerWaalsContact O-CB 3.24Å; V903-A930 WeakPolarHBondContact O-CB 3.41Å; I906-A930 HydrophobicContact CD1-CB 4.2Å; I906-A930 HydrophobicContact CG1-CB 4.17Å
931P95.8Very high93.1Very high68 Ų6847.6 Ų47.644%0.44225%0.245SC..  trans-58.4139.6173.4-22.533.4000112.4I906I906-P931 PolarHBondContact N-O 3.32Å
932I95.9Very high92.7Very high30 Ų3048.9 Ų48.915%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-93.1136.2178-57.4-179000111.2I906 L908 L922 E923 I926I906-I932 HydrophobicContact CB-CG1 4.2Å; I906-I932 HydrophobicContact CG2-CG1 4.36Å; I906-I932 CarbonylContact O-C 3.54Å; I906-I932 VanDerWaalsContact O-CA 3.26Å; I906-I932 WeakPolarHBondContact O-CA 3.38Å; L908-I932 HydrophobicContact CD1-CG2 3.68Å; L908-I932 HydrophobicContact CG-CG2 3.68Å; L922-I932 HydrophobicContact CB-CD1 4.2Å; E923-I932 VanDerWaalsContact CA-CD1 3.47Å; E923-I932 HydrophobicContact CB-CD1 4.07Å; E923-I932 WeakPolarHBondContact OE2-CB 3.48Å; E923-I932 WeakPolarHBondContact OE2-CD1 3.27Å; E923-I932 WeakPolarHBondContact OE2-CG1 3.19Å; I926-I932 HydrophobicContact CD1-CD1 3.8Å; I926-I932 HydrophobicContact CG1-CD1 3.58Å; I926-I932 HydrophobicContact CG1-CG1 4.27Å
933V95.9Very high92.5Very high25 Ų2549.3 Ų49.315%0.15226%0.257CS..EExtended strand (participates in β ladder)trans-118.5116.3170.8-173.90000109.1V776 E780 I906 A907 L908 V935V776-V933 HydrophobicContact CG1-CB 4.21Å; V776-V933 HydrophobicContact CG1-CG1 4.46Å; V776-V933 HydrophobicContact CG1-CG2 4.04Å; V776-V933 HydrophobicContact CG2-CB 4.25Å; V776-V933 HydrophobicContact CG2-CG1 4Å; E780-V933 HydrophobicContact CG-CG2 4.46Å; I906-V933 PolarHBondContact O-N 3.37Å; A907-V933 CarbonylContact C-O 3.6Å; A907-V933 VanDerWaalsContact CA-O 3.3Å; A907-V933 WeakPolarHBondContact CA-O 3.32Å; L908-V933 PolarHBondContact N-O 3.49Å; V933-V935 HydrophobicContact CG1-CG2 3.99Å
934A94.2Very high92.4Very high50 Ų5045.3 Ų45.341%0.41324%0.238SC..EExtended strand (participates in β ladder)trans-85.5122.1173.700000109.8P936A934-P936 WeakPolarHBondContact O-CD 3.24Å
935V93.5Very high92.2Very high5 Ų538.4 Ų38.43%0.0321%0.208CC..  trans-122.177.9176.3-1720000108.2V772 K775 V776 L908 T909 V933 H939V772-V935 HydrophobicContact CG1-CB 4.03Å; V772-V935 HydrophobicContact CG1-CG1 4.39Å; V772-V935 HydrophobicContact CG1-CG2 4.07Å; V772-V935 HydrophobicContact CG2-CG1 4.2Å; K775-V935 HydrophobicContact CD-CG1 4.08Å; V776-V935 HydrophobicContact CG2-CG2 3.64Å; L908-V935 CarbonylContact O-C 3.52Å; L908-V935 PolarHBondContact O-N 2.67Å; T909-V935 VanDerWaalsContact CA-O 3.32Å; T909-V935 WeakPolarHBondContact CA-O 3.27Å; T909-V935 WeakPolarHBondContact CB-O 3.27Å; T909-V935 PolarHBondContact OG1-O 3.02Å; V933-V935 HydrophobicContact CG1-CG2 3.99Å; V935-H939 WeakPolarHBondContact CG1-NE2 3.47Å
936P90.1Very high91.9Very high48 Ų4836.9 Ų36.931%0.31220%0.204SC..  trans-66.4144.5-169.7-20.734.2000113.3A913 Y914 A934A913-P936 HydrophobicContact CB-CB 4.44Å; Y914-P936 HydrophobicContact CD1-CB 3.48Å; Y914-P936 VanDerWaalsContact CD1-CB 3.48Å; Y914-P936 HydrophobicContact CD1-CG 4.26Å; Y914-P936 HydrophobicContact CD2-CB 3.91Å; Y914-P936 HydrophobicContact CE1-CB 3.48Å; Y914-P936 VanDerWaalsContact CE1-CB 3.48Å; Y914-P936 HydrophobicContact CE1-CG 4.45Å; Y914-P936 HydrophobicContact CE2-CB 3.92Å; Y914-P936 HydrophobicContact CG-CB 3.69Å; A934-P936 WeakPolarHBondContact O-CD 3.24Å
937G84.1Confident91.6Very high9 Ų936.7 Ų36.79%0.09320%0.203CC..BIsolated β-bridgetrans93.3-165.3176.900000113.8T909 G910T909-G937 PolarHBondContact OG1-O 3.38Å; T909-G937 VanDerWaalsContact OG1-O 3.07Å; G910-G937 WeakPolarHBondContact CA-O 3.45Å; G910-G937 PolarHBondContact N-O 3.18Å; G910-G937 PolarHBondContact O-N 3.36Å; G910-G937 VanDerWaalsContact O-N 3.13Å
938E77.2Confident91.5Very high98 Ų9835.5 Ų35.546%0.45819%0.191SC..  trans-112.4130.8-178.7-68170.4-177.400109.3K624 N768 E940K624-E938 IonicContact NZ-OE2 2.76Å; K624-E938 PolarHBondContact NZ-OE2 2.84Å; N768-E938 WeakPolarHBondContact OD1-CA 3.31Å; E938-E940 HydrophobicContact CB-CG 4.43Å
939H83.7Confident91.2Very high37 Ų3728.6 Ų28.617%0.17116%0.161CC..  trans-103.621.5177.5-74.3-74.4000112.3N768 A771 V935 M941 I942 A943N768-H939 PolarHBondContact OD1-N 2.94Å; A771-H939 HydrophobicContact CB-CB 4.44Å; V935-H939 WeakPolarHBondContact CG1-NE2 3.47Å; H939-M941 PolarHBondContact O-N 2.81Å; H939-I942 HydrophobicContact CB-CG2 3.79Å; H939-I942 WeakPolarHBondContact O-CG2 3.33Å; H939-A943 WeakPolarHBondContact O-CB 3.26Å; H939-A943 PolarHBondContact O-N 3.46Å
940E87.3Confident90.8Very high5 Ų529.4 Ų29.42%0.02316%0.162CC..Hα-helixtrans-63.3-44.2-173.9-62.9-176.3149.500112.8N617 R683 L767 N768 E938 A943 L944N617-E940 PolarHBondContact ND2-OE2 3.17Å; R683-E940 IonicContact CZ-OE1 3.53Å; R683-E940 IonicContact CZ-OE2 2.88Å; R683-E940 VanDerWaalsContact NH1-CD 3.29Å; R683-E940 IonicContact NH1-OE1 3.57Å; R683-E940 PolarHBondContact NH1-OE1 3.37Å; R683-E940 IonicContact NH1-OE2 3.39Å; R683-E940 PolarHBondContact NH1-OE2 2.88Å; R683-E940 IonicContact NH2-OE1 3.84Å; R683-E940 PolarHBondContact NH2-OE1 3.37Å; R683-E940 IonicContact NH2-OE2 3.35Å; L767-E940 HydrophobicContact CD2-CB 3.88Å; L767-E940 HydrophobicContact CD2-CG 4.12Å; N768-E940 HydrophobicContact CB-CG 4.22Å; E938-E940 HydrophobicContact CB-CG 4.43Å; E940-A943 PolarHBondContact O-N 3.05Å; E940-L944 WeakPolarHBondContact O-CG 3.29Å; E940-L944 PolarHBondContact O-N 3.47Å
941M91.4Very high90.6Very high10 Ų1030.1 Ų30.15%0.04917%0.166CC..Hα-helixtrans-66-45.8-177.4-60.9-53-65.200111.9A615 N617 K624 S626 H939 A943 L944 S945A615-M941 HydrophobicContact CB-CE 3.86Å; A615-M941 VanDerWaalsContact O-CE 3.27Å; A615-M941 WeakPolarHBondContact O-CE 3.45Å; N617-M941 HydrophobicContact CB-SD 3.49Å; N617-M941 WeakPolarHBondContact CB-SD 3.3Å; K624-M941 HydrophobicContact CB-CE 4.32Å; K624-M941 HydrophobicContact CB-SD 3.74Å; S626-M941 WeakPolarHBondContact OG-CE 3.43Å; H939-M941 PolarHBondContact O-N 2.81Å; M941-A943 VanDerWaalsContact C-N 3.31Å; M941-A943 PolarHBondContact O-N 3.31Å; M941-L944 PolarHBondContact O-N 2.93Å; M941-S945 PolarHBondContact O-N 2.95Å; M941-S945 VanDerWaalsContact O-N 3.1Å
942I89Confident90.2Very high78 Ų7829.3 Ų29.340%0.416%0.16SC..Hα-helixtrans-66.6-34.8176.4-167.5165.5000111.3H939 S945 K946H939-I942 HydrophobicContact CB-CG2 3.79Å; H939-I942 WeakPolarHBondContact O-CG2 3.33Å; I942-S945 PolarHBondContact O-N 2.95Å; I942-K946 HydrophobicContact CG1-CG 4.09Å; I942-K946 WeakPolarHBondContact O-CB 3.47Å; I942-K946 WeakPolarHBondContact O-CG 3.33Å; I942-K946 PolarHBondContact O-N 3.23Å
943A91Very high89.5Confident10 Ų1032.5 Ų32.58%0.08318%0.177CC..Hα-helixtrans-64.3-44.6176.200000112.3L767 A771 H939 E940 M941 G947L767-A943 HydrophobicContact CD1-CB 3.57Å; L767-A943 HydrophobicContact CG-CB 4.01Å; A771-A943 HydrophobicContact CB-CB 3.52Å; H939-A943 WeakPolarHBondContact O-CB 3.26Å; H939-A943 PolarHBondContact O-N 3.46Å; E940-A943 PolarHBondContact O-N 3.05Å; M941-A943 VanDerWaalsContact C-N 3.31Å; M941-A943 PolarHBondContact O-N 3.31Å; A943-G947 PolarHBondContact O-N 2.89Å
944L94.5Very high88.8Confident0 Ų034.3 Ų34.30%020%0.201CC..Hα-helixtrans-59.5-47.5174.7-72172.1000111.4A615 N617 A681 G682 R683 L767 E940 M941 G947 A948A615-L944 HydrophobicContact CB-CB 3.9Å; A615-L944 HydrophobicContact CB-CD1 4.36Å; N617-L944 HydrophobicContact CB-CD1 4.4Å; A681-L944 HydrophobicContact CB-CB 3.93Å; A681-L944 HydrophobicContact CB-CD2 4.47Å; G682-L944 WeakPolarHBondContact O-CD2 3.33Å; R683-L944 HydrophobicContact CB-CD1 4.49Å; L767-L944 HydrophobicContact CD1-CD2 4.37Å; L767-L944 HydrophobicContact CD2-CD2 4.11Å; L767-L944 HydrophobicContact CD2-CG 4.04Å; E940-L944 WeakPolarHBondContact O-CG 3.29Å; E940-L944 PolarHBondContact O-N 3.47Å; M941-L944 PolarHBondContact O-N 2.93Å; L944-G947 PolarHBondContact O-N 3.26Å; L944-A948 PolarHBondContact O-N 3.25Å
945S93.1Very high88.2Confident0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-63-51.5179.2179.40000112.3Y628 M941 I942 G947 A948 E949Y628-S945 WeakPolarHBondContact CD1-OG 3.36Å; Y628-S945 VanDerWaalsContact CD2-CB 3.47Å; Y628-S945 WeakPolarHBondContact CD2-OG 3.32Å; M941-S945 PolarHBondContact O-N 2.95Å; M941-S945 VanDerWaalsContact O-N 3.1Å; I942-S945 PolarHBondContact O-N 2.95Å; S945-G947 VanDerWaalsContact C-N 3.27Å; S945-G947 PolarHBondContact O-N 3.47Å; S945-A948 PolarHBondContact O-N 3.29Å; S945-A948 VanDerWaalsContact O-N 3.12Å; S945-E949 WeakPolarHBondContact O-CB 3.44Å; S945-E949 PolarHBondContact O-N 3.25Å
946K89.7Confident87.9Confident65 Ų6540.1 Ų40.128%0.28322%0.219SC..Hα-helixtrans-63.6-32.3178.4-69.1-52.6-173-179.50112.5I942 E949 R950I942-K946 HydrophobicContact CG1-CG 4.09Å; I942-K946 WeakPolarHBondContact O-CB 3.47Å; I942-K946 WeakPolarHBondContact O-CG 3.33Å; I942-K946 PolarHBondContact O-N 3.23Å; K946-E949 WeakPolarHBondContact CD-OE2 3.43Å; K946-E949 WeakPolarHBondContact CE-OE2 3.35Å; K946-E949 IonicContact NZ-OE1 3.04Å; K946-E949 IonicContact NZ-OE2 2.83Å; K946-E949 PolarHBondContact NZ-OE2 2.93Å; K946-R950 WeakPolarHBondContact O-CG 3.44Å; K946-R950 VanDerWaalsContact O-CZ 3.31Å; K946-R950 PolarHBondContact O-N 2.87Å; K946-R950 PolarHBondContact O-NH1 3.25Å; K946-R950 VanDerWaalsContact O-NH1 3.08Å
947G91Very high87.8Confident0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-62.8-47.2171.300000112.5Y738 A943 L944 S945 V951Y738-G947 VanDerWaalsContact CE2-CA 3.44Å; A943-G947 PolarHBondContact O-N 2.89Å; L944-G947 PolarHBondContact O-N 3.26Å; S945-G947 VanDerWaalsContact C-N 3.27Å; S945-G947 PolarHBondContact O-N 3.47Å; G947-V951 PolarHBondContact O-N 2.67Å
948A94.2Very high88.2Confident0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-66.5-38.7176.400000113I613 A679 A681 L736 L944 S945 R950 V951 V952I613-A948 HydrophobicContact CD1-CB 3.94Å; I613-A948 HydrophobicContact CG1-CB 4.48Å; I613-A948 HydrophobicContact CG2-CB 3.85Å; A679-A948 HydrophobicContact CB-CB 4.01Å; A681-A948 HydrophobicContact CB-CB 4.1Å; L736-A948 HydrophobicContact CD1-CB 4.27Å; L736-A948 HydrophobicContact CD2-CB 3.89Å; L736-A948 HydrophobicContact CG-CB 4.46Å; L944-A948 PolarHBondContact O-N 3.25Å; S945-A948 PolarHBondContact O-N 3.29Å; S945-A948 VanDerWaalsContact O-N 3.12Å; A948-R950 PolarHBondContact O-N 3.42Å; A948-V951 PolarHBondContact O-N 2.69Å; A948-V951 VanDerWaalsContact O-N 3.15Å; A948-V952 WeakPolarHBondContact O-CG2 3.39Å; A948-V952 PolarHBondContact O-N 3.19Å
949E90Very high89Confident30 Ų3046.9 Ų46.914%0.1424%0.243CC..Hα-helixtrans-57.6-47.9175.9170.4166.6-155.600111.7M611 I613 S945 K946 V951 V952 L953M611-E949 HydrophobicContact CE-CB 3.88Å; M611-E949 HydrophobicContact CE-CG 3.51Å; M611-E949 HydrophobicContact SD-CB 4.22Å; M611-E949 HydrophobicContact SD-CG 4.12Å; I613-E949 HydrophobicContact CD1-CB 3.87Å; S945-E949 WeakPolarHBondContact O-CB 3.44Å; S945-E949 PolarHBondContact O-N 3.25Å; K946-E949 WeakPolarHBondContact CD-OE2 3.43Å; K946-E949 WeakPolarHBondContact CE-OE2 3.35Å; K946-E949 IonicContact NZ-OE1 3.04Å; K946-E949 IonicContact NZ-OE2 2.83Å; K946-E949 PolarHBondContact NZ-OE2 2.93Å; E949-V951 VanDerWaalsContact C-N 3.25Å; E949-V951 PolarHBondContact O-N 3.22Å; E949-V952 PolarHBondContact O-N 3.28Å; E949-L953 HydrophobicContact CG-CD1 3.71Å; E949-L953 HydrophobicContact CG-CG 4.4Å; E949-L953 WeakPolarHBondContact O-CB 3.47Å; E949-L953 WeakPolarHBondContact O-CG 3.48Å; E949-L953 PolarHBondContact O-N 3.13Å
950R89Confident89.5Confident44 Ų4451.8 Ų51.817%0.16627%0.267CS..Hα-helixtrans-58.2-37.5175.9-74.3-170.1-67.9-75.3-2.4112.8Y738 K946 A948 G954 E955 E956Y738-R950 PolarHBondContact OH-NH2 3.04Å; K946-R950 WeakPolarHBondContact O-CG 3.44Å; K946-R950 VanDerWaalsContact O-CZ 3.31Å; K946-R950 PolarHBondContact O-N 2.87Å; K946-R950 PolarHBondContact O-NH1 3.25Å; K946-R950 VanDerWaalsContact O-NH1 3.08Å; A948-R950 PolarHBondContact O-N 3.42Å; R950-G954 PolarHBondContact O-N 3.5Å; R950-E955 HydrophobicContact CB-CB 4.14Å; R950-E955 HydrophobicContact CG-CB 4.27Å; R950-E955 WeakPolarHBondContact CG-OE2 3.46Å; R950-E955 PolarHBondContact O-N 3.08Å; R950-E956 HydrophobicContact CB-CB 3.73Å; R950-E956 IonicContact CZ-OE2 4Å; R950-E956 IonicContact NE-OE2 2.75Å; R950-E956 PolarHBondContact NE-OE2 3.41Å; R950-E956 IonicContact NH2-OE2 2.83Å; R950-E956 PolarHBondContact O-N 3.28Å; R950-E956 VanDerWaalsContact O-N 3.09Å
951V92Very high89.7Confident21 Ų2151.8 Ų51.813%0.12727%0.266CS..Hα-helixtrans-69.3-46.3176.7174.50000111.3A694 I734 L736 G947 A948 E949 L953 G954 M958A694-V951 HydrophobicContact CB-CG2 3.46Å; A694-V951 VanDerWaalsContact CB-CG2 3.46Å; I734-V951 HydrophobicContact CD1-CB 4.49Å; I734-V951 HydrophobicContact CD1-CG1 3.62Å; L736-V951 HydrophobicContact CD2-CB 4.39Å; L736-V951 HydrophobicContact CD2-CG1 4.48Å; L736-V951 HydrophobicContact CD2-CG2 4.45Å; G947-V951 PolarHBondContact O-N 2.67Å; A948-V951 PolarHBondContact O-N 2.69Å; A948-V951 VanDerWaalsContact O-N 3.15Å; E949-V951 VanDerWaalsContact C-N 3.25Å; E949-V951 PolarHBondContact O-N 3.22Å; V951-L953 VanDerWaalsContact C-N 3.31Å; V951-L953 PolarHBondContact O-N 3.06Å; V951-G954 PolarHBondContact O-N 3.43Å; V951-G954 VanDerWaalsContact O-N 3.13Å; V951-M958 HydrophobicContact CG1-CB 3.89Å; V951-M958 HydrophobicContact CG1-SD 4.3Å; V951-M958 HydrophobicContact CG2-CB 4.42Å
952V87Confident89.6Confident51 Ų5156 Ų5631%0.30929%0.293SS..Hα-helixtrans-65.3-36-178.6174.20000111.7M611 D678 A679 I734 A948 E949 G954M611-V952 HydrophobicContact CG-CB 4.46Å; M611-V952 HydrophobicContact CG-CG1 3.88Å; M611-V952 HydrophobicContact SD-CB 3.86Å; M611-V952 HydrophobicContact SD-CG1 3.77Å; D678-V952 HydrophobicContact CB-CG1 4.12Å; D678-V952 HydrophobicContact CB-CG2 4.22Å; A679-V952 HydrophobicContact CB-CG2 3.86Å; I734-V952 HydrophobicContact CD1-CG2 4.26Å; A948-V952 WeakPolarHBondContact O-CG2 3.39Å; A948-V952 PolarHBondContact O-N 3.19Å; E949-V952 PolarHBondContact O-N 3.28Å; V952-G954 VanDerWaalsContact C-N 3.3Å
953L81Confident89.1Confident96 Ų9652.9 Ų52.950%0.50328%0.278SS..THydrogen-bonded Turntrans-79.3-10.1176.4-64.7175.9000113.6M611 E949 V951 E955M611-L953 HydrophobicContact SD-CG 4.38Å; E949-L953 HydrophobicContact CG-CD1 3.71Å; E949-L953 HydrophobicContact CG-CG 4.4Å; E949-L953 WeakPolarHBondContact O-CB 3.47Å; E949-L953 WeakPolarHBondContact O-CG 3.48Å; E949-L953 PolarHBondContact O-N 3.13Å; V951-L953 VanDerWaalsContact C-N 3.31Å; V951-L953 PolarHBondContact O-N 3.06Å; L953-E955 VanDerWaalsContact C-N 3.35Å; L953-E955 HydrophobicContact CB-CG 4.07Å
954G82.1Confident88.2Confident64 Ų6456.1 Ų56.166%0.6630%0.298SS*.THydrogen-bonded Turntrans76.817.4-177.400000114.6R950 V951 V952R950-G954 PolarHBondContact O-N 3.5Å; V951-G954 PolarHBondContact O-N 3.43Å; V951-G954 VanDerWaalsContact O-N 3.13Å; V952-G954 VanDerWaalsContact C-N 3.3Å
955E81.2Confident86.2Confident137 Ų13764.1 Ų64.164%0.6434%0.341SS*.SBendtrans-79.9-25.5175.8-61.1178179.600112.6R950 L953R950-E955 HydrophobicContact CB-CB 4.14Å; R950-E955 HydrophobicContact CG-CB 4.27Å; R950-E955 WeakPolarHBondContact CG-OE2 3.46Å; R950-E955 PolarHBondContact O-N 3.08Å; L953-E955 VanDerWaalsContact C-N 3.35Å; L953-E955 HydrophobicContact CB-CG 4.07Å
956E86.8Confident83.9Confident39 Ų3971.3 Ų71.318%0.18238%0.384CS..SBendtrans-132.8132.3177-171.6172.2163.500110.7G693 A694 Y738 R950G693-E956 WeakPolarHBondContact CA-OE1 3.38Å; A694-E956 PolarHBondContact N-OE1 3.03Å; Y738-E956 PolarHBondContact OH-OE1 3.02Å; Y738-E956 PolarHBondContact OH-OE2 3.38Å; R950-E956 HydrophobicContact CB-CB 3.73Å; R950-E956 IonicContact CZ-OE2 4Å; R950-E956 IonicContact NE-OE2 2.75Å; R950-E956 PolarHBondContact NE-OE2 3.41Å; R950-E956 IonicContact NH2-OE2 2.83Å; R950-E956 PolarHBondContact O-N 3.28Å; R950-E956 VanDerWaalsContact O-N 3.09Å
957E89.5Confident83.6Confident171 Ų17171.6 Ų71.680%0.79939%0.389SS*.PPolyproline II helixtrans-76.4129.2177.5-169.9178.9-174.800110.7
958M91.2Very high83.2Confident51 Ų5175.4 Ų75.425%0.25141%0.41SS..PPolyproline II helixtrans-76.3128.2174.3-172.8172.263.700110.2E696 I734 L736 V951E696-M958 HydrophobicContact CB-CE 3.74Å; E696-M958 HydrophobicContact CB-CG 3.98Å; E696-M958 HydrophobicContact CB-SD 3.66Å; E696-M958 HydrophobicContact CG-CE 3.82Å; E696-M958 HydrophobicContact CG-SD 4.02Å; I734-M958 HydrophobicContact CD1-SD 4.33Å; L736-M958 HydrophobicContact CB-SD 4.27Å; V951-M958 HydrophobicContact CG1-CB 3.89Å; V951-M958 HydrophobicContact CG1-SD 4.3Å; V951-M958 HydrophobicContact CG2-CB 4.42Å
959K94.9Very high82.6Confident75 Ų7579.6 Ų79.633%0.32643%0.432SS..BIsolated β-bridgetrans-91.3150.8-178.6-61.7170.9-176.11750111.4S691 S692 A694 Y695 E696S691-K959 PolarHBondContact OG-NZ 2.98Å; S692-K959 PolarHBondContact O-NZ 3.05Å; A694-K959 WeakPolarHBondContact O-CB 3.27Å; A694-K959 PolarHBondContact O-N 2.99Å; Y695-K959 CarbonylContact C-O 3.58Å; Y695-K959 VanDerWaalsContact CA-O 3.23Å; Y695-K959 WeakPolarHBondContact CA-O 3.45Å; Y695-K959 HydrophobicContact CD1-CB 3.61Å; Y695-K959 HydrophobicContact CE1-CB 3.61Å; Y695-K959 HydrophobicContact CE1-CD 3.98Å; Y695-K959 HydrophobicContact CE1-CG 4.44Å; Y695-K959 HydrophobicContact CE2-CD 4.21Å; Y695-K959 HydrophobicContact CG-CB 4.18Å; E696-K959 PolarHBondContact N-O 3.41Å
960E93.1Very high82.2Confident141 Ų14182.5 Ų82.566%0.65945%0.45SS*.PPolyproline II helixtrans-89.5137.2170.3-170.4175.9-174.800110.5N698N698-E960 WeakPolarHBondContact ND2-CG 3.47Å
961F92.7Very high81.8Confident4 Ų484.9 Ų84.92%0.01847%0.467CS..PPolyproline II helixtrans-90.4122.8171.9175.4-94.8000110.4L687 P688 V690 Y695 N698 D700 M701 Y704L687-F961 HydrophobicContact CB-CE2 4.34Å; L687-F961 HydrophobicContact CD1-CD2 4.3Å; L687-F961 HydrophobicContact CD1-CE2 4.3Å; L687-F961 HydrophobicContact CD2-CE1 4.46Å; L687-F961 HydrophobicContact CD2-CE2 4.06Å; L687-F961 HydrophobicContact CD2-CZ 3.96Å; L687-F961 HydrophobicContact CG-CE2 4.47Å; P688-F961 HydrophobicContact CG-CE2 3.71Å; P688-F961 HydrophobicContact CG-CZ 3.74Å; V690-F961 HydrophobicContact CG1-CD2 4.15Å; V690-F961 HydrophobicContact CG1-CE2 4.18Å; Y695-F961 HydrophobicContact CD1-CB 4.37Å; N698-F961 PolarHBondContact ND2-O 3.03Å; N698-F961 PolarHBondContact OD1-O 2.96Å; D700-F961 HydrophobicContact CB-CD1 4.21Å; M701-F961 VanDerWaalsContact CA-CD1 3.44Å; M701-F961 HydrophobicContact CB-CB 4.27Å; M701-F961 HydrophobicContact CB-CD1 3.61Å; M701-F961 HydrophobicContact CB-CE1 4.25Å; M701-F961 HydrophobicContact CB-CG 4.09Å; M701-F961 HydrophobicContact CE-CB 3.55Å; M701-F961 HydrophobicContact CE-CG 4.03Å; M701-F961 HydrophobicContact CG-CD1 4.18Å; M701-F961 HydrophobicContact CG-CG 4.37Å; Y704-F961 HydrophobicContact CG-CZ 4.31Å
962V88.3Confident81.1Confident100 Ų10089.1 Ų89.161%0.60649%0.49SS*.  trans-114.3123.6173.7-176.70000108.5
963S77.8Confident80.7Confident11 Ų1191.9 Ų91.98%0.07750%0.503CS..  trans-67.6127.6-178.6178.60000110.9N965S963-N965 PolarHBondContact O-N 3.48Å
964P72.3Confident80.7Confident78 Ų7891.5 Ų91.551%0.50650%0.503SS..THydrogen-bonded Turntrans-67.2108.5174.324.2-28.7000110.2P688P688-P964 HydrophobicContact CB-CG 3.73Å; P688-P964 HydrophobicContact CG-CG 3.63Å
965N54.1Low80.5Confident168 Ų16893.8 Ų93.890%0.89849%0.49SS*.THydrogen-bonded Turntrans61.767.5178.9-59.9-36000116S963S963-N965 PolarHBondContact O-N 3.48Å
966V44.5Very low80.5Confident151 Ų15189.9 Ų89.992%0.91548%0.476SS*.  trans-83.10143.9-176.60000109Y703Y703-V966 HydrophobicContact CE1-CG2 4.47Å

Retrieved 966 of 966 residues in 216.1 ms (Link to these results)

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