A0A096MWU8_PAPAN Loading...

26S proteasome non-ATPase regulatory subunit 7

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A096MWU8, Species PAPAN (Papio anubis, Olive baboon), Gene PSMD7, Length 324 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.8Very low70Confident232 Ų23276.4 Ų76.4100%1.14340%0.396SS*.  01220-69.7179.9173.300106.7E3M1-E3 PolarHBondContact O-N 3.32Å
2P41.5Very low71.9Confident121 Ų12171.5 Ų71.579%0.78637%0.37SS*.  trans-58.4135.2167.926.7-30.8000107.6L4P2-L4 PolarHBondContact O-N 3.48Å
3E41.3Very low73.4Confident169 Ų16968.3 Ų68.379%0.7936%0.357SS*.  trans-62.2100.1174.5-84.5-165.2127.900108.4M1 A5M1-E3 PolarHBondContact O-N 3.32Å; E3-A5 PolarHBondContact O-N 3.18Å
4L57.1Low74.7Confident72 Ų7269 Ų6938%0.37736%0.361SS..  trans-56.1111.4159.7-81.8157.9000106.3P2 V6 I139P2-L4 PolarHBondContact O-N 3.48Å; L4-V6 PolarHBondContact O-N 2.98Å; L4-I139 HydrophobicContact CD2-CG2 3.97Å
5A66.3Low75.8Confident33 Ų3364.4 Ų64.427%0.27334%0.337SS..SBendtrans-56.7-4117800000109.8E3 W43E3-A5 PolarHBondContact O-N 3.18Å; A5-W43 VanDerWaalsContact C-CZ2 3.46Å; A5-W43 HydrophobicContact CB-CH2 3.94Å; A5-W43 HydrophobicContact CB-CZ2 4.03Å; A5-W43 WeakPolarHBondContact O-CZ2 3.47Å
6V75.9Confident76.7Confident1 Ų162.2 Ų62.21%0.00633%0.325CS..  trans-101.9124.7176.8-164.30000110L4 K8 V9 W43 L48 V120 I139 V158L4-V6 PolarHBondContact O-N 2.98Å; V6-K8 WeakPolarHBondContact CG1-O 3.43Å; V6-V9 HydrophobicContact CG1-CG2 3.79Å; V6-W43 HydrophobicContact CB-CH2 4.02Å; V6-W43 HydrophobicContact CB-CZ3 4.5Å; V6-W43 HydrophobicContact CG2-CH2 3.18Å; V6-W43 HydrophobicContact CG2-CZ2 4.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.46Å; V6-W43 VanDerWaalsContact CG2-CZ3 3.46Å; V6-L48 HydrophobicContact CG1-CB 4.02Å; V6-V120 HydrophobicContact CG2-CG2 3.71Å; V6-I139 HydrophobicContact CG2-CD1 4.16Å; V6-V158 HydrophobicContact CG1-CG1 4.18Å
7Q84.8Confident77.5Confident133 Ų13365.7 Ų65.762%0.62134%0.343SS*.SBendtrans-96.2-33.4168.9-171.8174.55.900111.8K46 V158 T159Q7-K46 HydrophobicContact CB-CB 4.24Å; Q7-K46 PolarHBondContact N-O 2.8Å; Q7-V158 WeakPolarHBondContact O-CG1 3.4Å; Q7-T159 PolarHBondContact O-OG1 3.19Å; Q7-T159 VanDerWaalsContact O-OG1 3.08Å
8K89.4Confident78.3Confident66 Ų6664.1 Ų64.129%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-146.4140.3-172.8-163.7-176.5-161.1-170.40110.9V6 K46 V47 L48 T159 E161V6-K8 WeakPolarHBondContact CG1-O 3.43Å; K8-K46 PolarHBondContact N-O 3.45Å; K8-V47 HydrophobicContact CB-CG1 4.41Å; K8-V47 HydrophobicContact CB-CG2 4.37Å; K8-V47 WeakPolarHBondContact O-CA 3.38Å; K8-L48 PolarHBondContact O-N 2.67Å; K8-T159 WeakPolarHBondContact CA-O 3.16Å; K8-E161 WeakPolarHBondContact CE-OE1 3.28Å; K8-E161 WeakPolarHBondContact CE-OE2 3.44Å; K8-E161 IonicContact NZ-OE1 2.6Å; K8-E161 PolarHBondContact NZ-OE1 3.29Å; K8-E161 IonicContact NZ-OE2 2.64Å; K8-E161 PolarHBondContact NZ-OE2 3.45Å
9V91.8Very high78.9Confident0 Ų060.7 Ų60.70%032%0.321CS..EExtended strand (participates in β ladder)trans-113.9124.9174.3-176.30000108.6V6 V11 L48 V50 V120 V122 A137 V158 T159 S160 E161V6-V9 HydrophobicContact CG1-CG2 3.79Å; V9-V11 HydrophobicContact CG1-CG2 4.09Å; V9-L48 HydrophobicContact CG1-CD2 4.27Å; V9-L48 HydrophobicContact CG2-CB 4.38Å; V9-L48 HydrophobicContact CG2-CD2 4.32Å; V9-V50 HydrophobicContact CG1-CG2 3.95Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; V9-V122 HydrophobicContact CG1-CG2 4.34Å; V9-A137 HydrophobicContact CB-CB 3.9Å; V9-A137 HydrophobicContact CG1-CB 4.32Å; V9-A137 HydrophobicContact CG2-CB 3.74Å; V9-V158 HydrophobicContact CG2-CG1 4.22Å; V9-T159 PolarHBondContact N-O 3.02Å; V9-S160 WeakPolarHBondContact O-CA 3.43Å; V9-E161 PolarHBondContact O-N 3.47Å
10V93.4Very high79.4Confident12 Ų1260.3 Ų60.37%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-109.2116.5177.2-177.10000107.5V47 L48 V50 E161V10-V47 HydrophobicContact CG2-CG1 3.56Å; V10-L48 PolarHBondContact N-O 2.99Å; V10-V50 PolarHBondContact O-N 3.11Å; V10-E161 WeakPolarHBondContact CA-O 3.48Å; V10-E161 HydrophobicContact CB-CG 4.48Å; V10-E161 HydrophobicContact CG1-CG 4.41Å; V10-E161 HydrophobicContact CG2-CG 3.94Å
11V92.7Very high79.9Confident1 Ų160.8 Ų60.81%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-104.4125.7179.7-175.50000109.6V9 V15 L16 V122 T135 E161 I162 G163V9-V11 HydrophobicContact CG1-CG2 4.09Å; V11-V15 HydrophobicContact CG1-CB 4.05Å; V11-V15 HydrophobicContact CG1-CG1 4.05Å; V11-L16 HydrophobicContact CG1-CD2 3.98Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; V11-V122 HydrophobicContact CG2-CG1 4.32Å; V11-T135 HydrophobicContact CB-CG2 4.42Å; V11-T135 HydrophobicContact CG1-CG2 4.41Å; V11-T135 HydrophobicContact CG2-CG2 4.43Å; V11-E161 PolarHBondContact N-O 2.96Å; V11-I162 VanDerWaalsContact O-CA 3.3Å; V11-I162 WeakPolarHBondContact O-CA 3.35Å; V11-I162 WeakPolarHBondContact O-CG2 3.49Å; V11-G163 PolarHBondContact O-N 3.01Å
12H93.2Very high82.3Confident18 Ų1850.8 Ų50.88%0.08327%0.274CS..  trans-75.5143.1176.2-76.8-145.8000112.2L14 V15 V50 G163 E168H12-L14 PolarHBondContact O-N 3.43Å; H12-L14 VanDerWaalsContact O-N 3.14Å; H12-V15 WeakPolarHBondContact O-CB 3.35Å; H12-V15 PolarHBondContact O-N 3.41Å; H12-V50 WeakPolarHBondContact CB-O 3.46Å; H12-V50 PolarHBondContact CD2-O 3Å; H12-V50 PolarHBondContact N-O 2.94Å; H12-V50 VanDerWaalsContact N-O 3.09Å; H12-G163 WeakPolarHBondContact CA-O 3.02Å; H12-E168 IonicContact CG-OE1 3.47Å; H12-E168 IonicContact CG-OE2 2.95Å; H12-E168 IonicContact ND1-OE1 3.56Å; H12-E168 PolarHBondContact ND1-OE1 3.49Å; H12-E168 IonicContact ND1-OE2 3.1Å
13P91.2Very high84.4Confident30 Ų3046.5 Ų46.520%0.19524%0.243CC..Hα-helixtrans-52.4-32174.4-29.832.6000114.5V15 L16 L17 I162 G163 A164 E168 V172P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.49Å; P13-L16 PolarHBondContact O-N 3.17Å; P13-L17 PolarHBondContact O-N 3.48Å; P13-I162 HydrophobicContact CG-CG2 4Å; P13-G163 WeakPolarHBondContact CD-O 3.44Å; P13-A164 HydrophobicContact CG-CB 4.42Å; P13-E168 WeakPolarHBondContact CD-OE2 3.42Å; P13-V172 HydrophobicContact CB-CG2 4.01Å; P13-V172 HydrophobicContact CG-CG2 4.33Å
14L91.6Very high86.6Confident78 Ų7842.6 Ų42.641%0.40823%0.227SC..Hα-helixtrans-56.8-41.2176-174.6152.3000112.1H12 L17 S18 E168H12-L14 PolarHBondContact O-N 3.43Å; H12-L14 VanDerWaalsContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.27Å; L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 2.99Å; L14-E168 PolarHBondContact N-OE2 3.47Å
15V91.9Very high88Confident0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-64.6-43.9178.7172.70000110.4V11 H12 P13 L17 S18 V19 L39 V50 I124V11-V15 HydrophobicContact CG1-CB 4.05Å; V11-V15 HydrophobicContact CG1-CG1 4.05Å; H12-V15 WeakPolarHBondContact O-CB 3.35Å; H12-V15 PolarHBondContact O-N 3.41Å; P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.49Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 3.4Å; V15-S18 WeakPolarHBondContact O-CB 3.48Å; V15-S18 PolarHBondContact O-N 3.02Å; V15-V19 HydrophobicContact CG1-CG2 4.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.46Å; V15-L39 HydrophobicContact CG1-CD2 3.95Å; V15-V50 HydrophobicContact CG1-CG1 4.44Å; V15-V50 HydrophobicContact CG2-CG1 4.08Å; V15-I124 HydrophobicContact CG1-CD1 4.29Å
16L90.3Very high88.7Confident29 Ų2947.8 Ų47.815%0.15224%0.238CC..Hα-helixtrans-60.7-43.4177.5-56.1-178.4000111.5V11 P13 V19 V20 I124 T135 I162V11-L16 HydrophobicContact CG1-CD2 3.98Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; P13-L16 PolarHBondContact O-N 3.17Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å; L16-I124 HydrophobicContact CD2-CD1 4.14Å; L16-I124 HydrophobicContact CD2-CG1 4.38Å; L16-I124 HydrophobicContact CD2-CG2 3.93Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; L16-I162 HydrophobicContact CD1-CD1 3.87Å; L16-I162 HydrophobicContact CD1-CG1 4.28Å
17L89.4Confident88.5Confident122 Ų12249 Ų4964%0.63925%0.251SS*.Hα-helixtrans-65.8-40.8177.6-169.566.8000111.9P13 L14 V15 V19 V20 D21P13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.27Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 3.4Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-V20 PolarHBondContact O-N 2.94Å; L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.4Å
18S91.3Very high88Confident36 Ų3651.3 Ų51.325%0.25226%0.259SS..Hα-helixtrans-60.5-43.1175.6-173.90000111.8L14 V15 D21 H22 S53L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 2.99Å; V15-S18 WeakPolarHBondContact O-CB 3.48Å; V15-S18 PolarHBondContact O-N 3.02Å; S18-D21 PolarHBondContact O-N 3.47Å; S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.47Å; S18-S53 PolarHBondContact OG-O 2.61Å
19V90.4Very high86.9Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-66.1-41.7178.9176.10000111.8V15 L16 L17 H22 F23 Y95 T97 I124V15-V19 HydrophobicContact CG1-CG2 4.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.46Å; L16-V19 PolarHBondContact O-N 3.32Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.95Å; V19-H22 PolarHBondContact O-N 3.26Å; V19-F23 WeakPolarHBondContact O-CB 3.43Å; V19-F23 PolarHBondContact O-N 2.99Å; V19-Y95 HydrophobicContact CB-CE2 4.1Å; V19-Y95 HydrophobicContact CG1-CD2 4Å; V19-Y95 HydrophobicContact CG1-CE2 3.75Å; V19-Y95 HydrophobicContact CG2-CD1 4.45Å; V19-Y95 HydrophobicContact CG2-CD2 3.73Å; V19-Y95 HydrophobicContact CG2-CE1 4.2Å; V19-Y95 HydrophobicContact CG2-CE2 3.47Å; V19-Y95 VanDerWaalsContact CG2-CE2 3.47Å; V19-Y95 HydrophobicContact CG2-CG 4.21Å; V19-T97 HydrophobicContact CG1-CG2 3.21Å; V19-I124 HydrophobicContact CB-CD1 4.23Å; V19-I124 HydrophobicContact CB-CG2 4.44Å; V19-I124 HydrophobicContact CG1-CB 4.13Å; V19-I124 HydrophobicContact CG1-CD1 4.23Å; V19-I124 HydrophobicContact CG1-CG2 3.97Å; V19-I124 HydrophobicContact CG2-CD1 3.5Å
20V88.6Confident85.1Confident53 Ų5357.4 Ų57.432%0.32132%0.315SS..Hα-helixtrans-66.1-42.2176172.30000111.1L16 L17 H22 F23 N24 V126L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å; L17-V20 PolarHBondContact O-N 2.94Å; V20-H22 VanDerWaalsContact C-N 3.35Å; V20-F23 PolarHBondContact O-N 3.01Å; V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.01Å; V20-N24 PolarHBondContact O-ND2 3.43Å; V20-V126 HydrophobicContact CG2-CG1 4.47Å
21D89.4Confident83.6Confident70 Ų7060.3 Ų60.337%0.37433%0.33SS..Hα-helixtrans-61.2-45.2174.4-178.260.1000111.1L17 S18 F23 N24 R25L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.4Å; S18-D21 PolarHBondContact O-N 3.47Å; D21-F23 PolarHBondContact O-N 2.84Å; D21-N24 PolarHBondContact O-N 3.38Å; D21-R25 WeakPolarHBondContact O-CG 3.35Å; D21-R25 PolarHBondContact O-N 3.45Å; D21-R25 IonicContact OD1-NE 3.77Å; D21-R25 IonicContact OD2-CZ 2.76Å; D21-R25 IonicContact OD2-NE 3.73Å; D21-R25 PolarHBondContact OD2-NE 2.94Å; D21-R25 IonicContact OD2-NH2 3.71Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å
22H87.1Confident82.3Confident22 Ų2266.7 Ų66.710%0.10236%0.36CS..Hα-helixtrans-58.8-47.8177.3-175.3-166.6000111.9S18 V19 V20 N24 R25 I26 V35 A55 Y95S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.47Å; V19-H22 PolarHBondContact O-N 3.26Å; V20-H22 VanDerWaalsContact C-N 3.35Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 3.35Å; H22-R25 PolarHBondContact O-N 3.26Å; H22-I26 WeakPolarHBondContact NE2-CD1 3.37Å; H22-I26 PolarHBondContact O-N 3.12Å; H22-V35 WeakPolarHBondContact CE1-CG1 3.31Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.38Å; H22-V35 VanDerWaalsContact NE2-CG1 3.28Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.47Å; H22-A55 WeakPolarHBondContact CE1-CA 3.34Å; H22-A55 WeakPolarHBondContact CE1-CB 3.38Å; H22-A55 VanDerWaalsContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact NE2-CB 3.32Å; H22-Y95 PolarHBondContact ND1-OH 3.22Å
23F85.9Confident81.4Confident31 Ų3167.8 Ų67.814%0.13636%0.364CS..Hα-helixtrans-59.2-41.6175.8-176.3-96.3000112.2V19 V20 D21 R25 I26 G27 V35 V126V19-F23 WeakPolarHBondContact O-CB 3.43Å; V19-F23 PolarHBondContact O-N 2.99Å; V20-F23 PolarHBondContact O-N 3.01Å; D21-F23 PolarHBondContact O-N 2.84Å; F23-R25 PolarHBondContact O-N 3.15Å; F23-I26 PolarHBondContact O-N 3Å; F23-G27 PolarHBondContact O-N 2.9Å; F23-V35 HydrophobicContact CD2-CG2 4.15Å; F23-V126 HydrophobicContact CB-CG1 3.94Å; F23-V126 HydrophobicContact CB-CG2 4.16Å; F23-V126 HydrophobicContact CD1-CB 4.29Å; F23-V126 HydrophobicContact CD1-CG1 3.43Å; F23-V126 VanDerWaalsContact CD1-CG1 3.43Å; F23-V126 HydrophobicContact CD2-CB 4.49Å; F23-V126 HydrophobicContact CD2-CG1 4.36Å; F23-V126 HydrophobicContact CD2-CG2 4.02Å; F23-V126 HydrophobicContact CE1-CG1 3.95Å; F23-V126 HydrophobicContact CG-CB 4.25Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.99Å
24N87Confident81Confident87 Ų8767.6 Ų67.647%0.46536%0.359SS..Hα-helixtrans-68-32.2178.4-75-31000113.3V20 D21 H22 K28V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.01Å; V20-N24 PolarHBondContact O-ND2 3.43Å; D21-N24 PolarHBondContact O-N 3.38Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 3.35Å; N24-K28 WeakPolarHBondContact O-CG 3.42Å; N24-K28 PolarHBondContact O-N 3.31Å
25R85.8Confident80.8Confident160 Ų16064 Ų6460%0.60434%0.341SS*.Hα-helixtrans-67-45.2175.4-70.8179.3-167.1-149.27.1111.6D21 H22 F23 K28D21-R25 WeakPolarHBondContact O-CG 3.35Å; D21-R25 PolarHBondContact O-N 3.45Å; D21-R25 IonicContact OD1-NE 3.77Å; D21-R25 IonicContact OD2-CZ 2.76Å; D21-R25 IonicContact OD2-NE 3.73Å; D21-R25 PolarHBondContact OD2-NE 2.94Å; D21-R25 IonicContact OD2-NH2 3.71Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å; H22-R25 PolarHBondContact O-N 3.26Å; F23-R25 PolarHBondContact O-N 3.15Å; R25-K28 PolarHBondContact O-N 3.45Å
26I81.3Confident80.8Confident54 Ų5464 Ų6428%0.27734%0.341SS..Hα-helixtrans-70.2-37.8178.6-67.8171.5000110.8H22 F23 K28 V29 V35H22-I26 WeakPolarHBondContact NE2-CD1 3.37Å; H22-I26 PolarHBondContact O-N 3.12Å; F23-I26 PolarHBondContact O-N 3Å; I26-K28 PolarHBondContact O-N 3.46Å; I26-K28 VanDerWaalsContact O-N 3.11Å; I26-V29 WeakPolarHBondContact O-CB 3.44Å; I26-V29 PolarHBondContact O-N 3.06Å; I26-V35 HydrophobicContact CB-CG2 4.38Å; I26-V35 HydrophobicContact CD1-CB 4.14Å; I26-V35 HydrophobicContact CD1-CG1 3.5Å; I26-V35 VanDerWaalsContact CD1-CG1 3.5Å; I26-V35 HydrophobicContact CD1-CG2 3.52Å; I26-V35 HydrophobicContact CG2-CG2 4.43Å
27G71.2Confident80.9Confident26 Ų2662.7 Ų62.727%0.26833%0.334SS..Hα-helixtrans-58.1-25.6177.200000114.5F23 V29F23-G27 PolarHBondContact O-N 2.9Å; G27-V29 VanDerWaalsContact C-N 3.32Å
28K74.9Confident81.1Confident182 Ų18256.9 Ų56.979%0.79130%0.303SS*.THydrogen-bonded Turntrans-73.1-22.2174.7-70.4174.4-176.7178.50113.7N24 R25 I26 G30N24-K28 WeakPolarHBondContact O-CG 3.42Å; N24-K28 PolarHBondContact O-N 3.31Å; R25-K28 PolarHBondContact O-N 3.45Å; I26-K28 PolarHBondContact O-N 3.46Å; I26-K28 VanDerWaalsContact O-N 3.11Å; K28-G30 PolarHBondContact O-N 3.27Å
29V65.9Low81.2Confident127 Ų12755.2 Ų55.277%0.7729%0.292SS*.THydrogen-bonded Turntrans-83.8-2.4-178.4-170.70000111.3I26 G27I26-V29 WeakPolarHBondContact O-CB 3.44Å; I26-V29 PolarHBondContact O-N 3.06Å; G27-V29 VanDerWaalsContact C-N 3.32Å
30G55.1Low81.3Confident67 Ų6755.3 Ų55.369%0.69129%0.292SS*.THydrogen-bonded Turntrans94.9-0.3170.700000114.9K28K28-G30 PolarHBondContact O-N 3.27Å
31N61.3Low81.5Confident73 Ų7352.8 Ų52.839%0.3928%0.277SS..  trans-113.1105.9176.6-124.9-12.4000110K33N31-K33 HydrophobicContact CB-CD 4.37Å; N31-K33 HydrophobicContact CB-CG 4.07Å; N31-K33 VanDerWaalsContact CG-CE 3.46Å; N31-K33 WeakPolarHBondContact ND2-CD 3.49Å; N31-K33 WeakPolarHBondContact ND2-CE 3.39Å; N31-K33 PolarHBondContact O-N 2.88Å; N31-K33 WeakPolarHBondContact OD1-CE 3.35Å
32Q65.7Low81.5Confident136 Ų13651.1 Ų51.164%0.63627%0.271SS*.  trans-79.357.6169.7-68.9-128.2-4100110.2
33K75.1Confident81.4Confident40 Ų4054.6 Ų54.617%0.17428%0.283CS..  trans-85157.7177.5-71-169.3170.6-1650110.9N31 V35 E60 D62N31-K33 HydrophobicContact CB-CD 4.37Å; N31-K33 HydrophobicContact CB-CG 4.07Å; N31-K33 VanDerWaalsContact CG-CE 3.46Å; N31-K33 WeakPolarHBondContact ND2-CD 3.49Å; N31-K33 WeakPolarHBondContact ND2-CE 3.39Å; N31-K33 PolarHBondContact O-N 2.88Å; N31-K33 WeakPolarHBondContact OD1-CE 3.35Å; K33-V35 WeakPolarHBondContact O-CG2 3.48Å; K33-V35 PolarHBondContact O-N 3.28Å; K33-E60 PolarHBondContact NZ-O 3.41Å; K33-D62 VanDerWaalsContact CE-CG 3.44Å; K33-D62 WeakPolarHBondContact CE-OD1 3.32Å; K33-D62 WeakPolarHBondContact CE-OD2 3.33Å; K33-D62 IonicContact NZ-OD1 3.12Å; K33-D62 PolarHBondContact NZ-OD1 2.98Å; K33-D62 IonicContact NZ-OD2 2.84Å; K33-D62 PolarHBondContact NZ-OD2 3.48Å
34R82.6Confident81.1Confident26 Ų2658.6 Ų58.610%0.09830%0.303CS..  trans-58.2137.8167.1171.1174.267.2164.34.3108.7E60 H96 T97 H102 D105R34-E60 IonicContact CZ-OE1 3.45Å; R34-E60 IonicContact CZ-OE2 3.2Å; R34-E60 IonicContact NE-OE2 2.83Å; R34-E60 PolarHBondContact NE-OE2 3.46Å; R34-E60 IonicContact NH2-OE1 2.72Å; R34-E60 PolarHBondContact NH2-OE1 2.92Å; R34-E60 IonicContact NH2-OE2 3.92Å; R34-E60 PolarHBondContact NH2-OE2 3.35Å; R34-H96 HydrophobicContact CG-CB 4.09Å; R34-T97 WeakPolarHBondContact CA-O 3.46Å; R34-T97 WeakPolarHBondContact CG-O 3.32Å; R34-H102 PolarHBondContact NH1-ND1 3.35Å; R34-D105 IonicContact CZ-OD1 2.62Å; R34-D105 IonicContact NH1-OD1 2.75Å; R34-D105 PolarHBondContact NH1-OD1 2.9Å; R34-D105 IonicContact NH1-OD2 3.51Å; R34-D105 IonicContact NH2-OD1 3.33Å
35V87.6Confident80.8Confident4 Ų463.8 Ų63.82%0.02432%0.321CS..  trans-112.2135.6-179.2-175.10000108.6H22 F23 I26 K33 H96 T97H22-V35 WeakPolarHBondContact CE1-CG1 3.31Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.38Å; H22-V35 VanDerWaalsContact NE2-CG1 3.28Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.47Å; F23-V35 HydrophobicContact CD2-CG2 4.15Å; I26-V35 HydrophobicContact CB-CG2 4.38Å; I26-V35 HydrophobicContact CD1-CB 4.14Å; I26-V35 HydrophobicContact CD1-CG1 3.5Å; I26-V35 VanDerWaalsContact CD1-CG1 3.5Å; I26-V35 HydrophobicContact CD1-CG2 3.52Å; I26-V35 HydrophobicContact CG2-CG2 4.43Å; K33-V35 WeakPolarHBondContact O-CG2 3.48Å; K33-V35 PolarHBondContact O-N 3.28Å; V35-H96 CarbonylContact O-C 3.35Å; V35-H96 WeakPolarHBondContact O-CA 3.5Å; V35-T97 WeakPolarHBondContact CA-OG1 3.49Å; V35-T97 HydrophobicContact CB-CG2 4.44Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 2.84Å; V35-T97 PolarHBondContact O-N 3.45Å; V35-T97 PolarHBondContact O-OG1 2.98Å
36V91Very high80.7Confident0 Ų060.9 Ų60.90%031%0.313CS..EExtended strand (participates in β ladder)trans-111.6143.4177174.60000109.3V56 F58 L70 W94 Y95 H96V36-V56 PolarHBondContact O-N 2.93Å; V36-F58 HydrophobicContact CB-CB 3.89Å; V36-F58 HydrophobicContact CB-CD1 4.08Å; V36-F58 HydrophobicContact CB-CD2 4.07Å; V36-F58 HydrophobicContact CB-CG 3.74Å; V36-F58 HydrophobicContact CG2-CB 4.39Å; V36-F58 HydrophobicContact CG2-CD1 3.61Å; V36-F58 HydrophobicContact CG2-CD2 3.94Å; V36-F58 HydrophobicContact CG2-CE1 3.76Å; V36-F58 HydrophobicContact CG2-CE2 4.08Å; V36-F58 HydrophobicContact CG2-CG 3.7Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V36-L70 HydrophobicContact CG1-CD1 4.4Å; V36-W94 HydrophobicContact CG1-CE3 3.79Å; V36-W94 HydrophobicContact CG1-CZ3 4.2Å; V36-W94 HydrophobicContact CG2-CZ3 4.26Å; V36-Y95 WeakPolarHBondContact CA-O 3.49Å; V36-H96 HydrophobicContact CG2-CB 3.97Å
37G92.3Very high81Confident0 Ų060.5 Ų60.50%031%0.313CS..EExtended strand (participates in β ladder)trans-150.6170.3171.600000112.1F54 W94 Y95G37-F54 CarbonylContact C-O 3.54Å; G37-F54 VanDerWaalsContact CA-O 3.28Å; G37-F54 WeakPolarHBondContact CA-O 3.34Å; G37-W94 CarbonylContact O-C 3.55Å; G37-W94 VanDerWaalsContact O-CA 3.26Å; G37-W94 WeakPolarHBondContact O-CA 3.38Å; G37-W94 VanDerWaalsContact O-CB 3.3Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; G37-Y95 VanDerWaalsContact C-CE1 3.43Å; G37-Y95 PolarHBondContact N-O 3.39Å; G37-Y95 WeakPolarHBondContact O-CD1 3.42Å; G37-Y95 PolarHBondContact O-N 2.9Å
38V93.5Very high81.9Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-97137.2-177176.80000109L40 S53 F54 V56 L75 I91 M112V38-L40 HydrophobicContact CG1-CD2 4.48Å; V38-S53 VanDerWaalsContact O-CA 3.31Å; V38-S53 WeakPolarHBondContact O-CA 3.34Å; V38-F54 HydrophobicContact CB-CD1 4.37Å; V38-F54 HydrophobicContact CB-CE1 3.82Å; V38-F54 HydrophobicContact CB-CE2 4.11Å; V38-F54 HydrophobicContact CB-CZ 3.68Å; V38-F54 HydrophobicContact CG1-CE1 3.88Å; V38-F54 HydrophobicContact CG1-CZ 3.94Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CZ 4.07Å; V38-F54 PolarHBondContact N-O 3.43Å; V38-F54 PolarHBondContact O-N 3.49Å; V38-F54 VanDerWaalsContact O-N 3.1Å; V38-V56 HydrophobicContact CG2-CG2 3.64Å; V38-L75 HydrophobicContact CG2-CD1 3.61Å; V38-L75 HydrophobicContact CG2-CG 4.03Å; V38-I91 HydrophobicContact CG1-CB 4.41Å; V38-I91 HydrophobicContact CG1-CD1 4.49Å; V38-I91 HydrophobicContact CG1-CG1 4.02Å; V38-I91 HydrophobicContact CG1-CG2 3.69Å; V38-M112 HydrophobicContact CG2-CE 3.63Å
39L93.7Very high82.7Confident2 Ų251.8 Ų51.81%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-95.1129.6174.3-65.6176.6000110V15 V50 V92 G93 Y95 V122V15-L39 HydrophobicContact CG1-CD2 3.95Å; L39-V50 HydrophobicContact CB-CG1 4.08Å; L39-V50 HydrophobicContact CD1-CG1 4.32Å; L39-V50 HydrophobicContact CD2-CG1 3.77Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L39-V92 HydrophobicContact CB-CG2 3.94Å; L39-V92 WeakPolarHBondContact O-CG2 3.32Å; L39-V92 PolarHBondContact O-N 2.89Å; L39-G93 PolarHBondContact N-O 2.91Å; L39-Y95 HydrophobicContact CD2-CD1 3.43Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L39-Y95 HydrophobicContact CD2-CE1 4.31Å; L39-Y95 HydrophobicContact CD2-CG 4.07Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.48Å; L39-V122 HydrophobicContact CD1-CB 3.82Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å
40L92.8Very high84Confident1 Ų145.8 Ų45.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-110.1139.8173.9-63179.7000109.3V38 S51 N52 F54 Y79 F82 R90 I91V38-L40 HydrophobicContact CG1-CD2 4.48Å; L40-S51 PolarHBondContact O-N 2.9Å; L40-S51 VanDerWaalsContact O-N 3.16Å; L40-N52 CarbonylContact C-O 3.54Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.21Å; L40-N52 PolarHBondContact N-O 2.96Å; L40-N52 PolarHBondContact O-N 2.97Å; L40-N52 VanDerWaalsContact O-N 3.07Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.85Å; L40-F54 HydrophobicContact CD2-CE1 4.04Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.94Å; L40-Y79 HydrophobicContact CD2-CD2 4.12Å; L40-Y79 HydrophobicContact CD2-CE2 4.41Å; L40-F82 HydrophobicContact CD1-CB 3.91Å; L40-F82 HydrophobicContact CD1-CD1 3.99Å; L40-F82 HydrophobicContact CD1-CD2 3.92Å; L40-F82 HydrophobicContact CD1-CE2 4.47Å; L40-F82 HydrophobicContact CD1-CG 3.67Å; L40-R90 CarbonylContact C-O 3.57Å; L40-R90 WeakPolarHBondContact CA-O 3.21Å; L40-I91 HydrophobicContact CD2-CB 4.43Å; L40-I91 HydrophobicContact CD2-CG1 3.77Å
41G91.8Very high85.7Confident1 Ų144 Ų441%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-173.7-169-177.500000112.4D49 R90G41-D49 CarbonylContact C-O 3.58Å; G41-D49 WeakPolarHBondContact CA-O 3.07Å; G41-R90 PolarHBondContact N-O 3.5Å; G41-R90 PolarHBondContact O-N 3.42Å
42S88.8Confident87.1Confident34 Ų3442.2 Ų42.224%0.23820%0.2CC..EExtended strand (participates in β ladder)trans-128.5149.2175.976.30000109.9D49S42-D49 PolarHBondContact N-O 3.36Å; S42-D49 PolarHBondContact O-N 3.4Å; S42-D49 VanDerWaalsContact O-N 3.1Å
43W85.2Confident88.5Confident95 Ų9536 Ų3636%0.3617%0.171SC..EExtended strand (participates in β ladder)trans-99.8115.6177.7-170.2-83.2000110A5 V6 K45 L48 N118A5-W43 VanDerWaalsContact C-CZ2 3.46Å; A5-W43 HydrophobicContact CB-CH2 3.94Å; A5-W43 HydrophobicContact CB-CZ2 4.03Å; A5-W43 WeakPolarHBondContact O-CZ2 3.47Å; V6-W43 HydrophobicContact CB-CH2 4.02Å; V6-W43 HydrophobicContact CB-CZ3 4.5Å; V6-W43 HydrophobicContact CG2-CH2 3.18Å; V6-W43 HydrophobicContact CG2-CZ2 4.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.46Å; V6-W43 VanDerWaalsContact CG2-CZ3 3.46Å; W43-K45 PolarHBondContact NE1-O 2.96Å; W43-L48 HydrophobicContact CE3-CB 4.28Å; W43-L48 HydrophobicContact CE3-CD1 3.87Å; W43-L48 HydrophobicContact CZ3-CB 4.36Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; W43-N118 HydrophobicContact CH2-CB 4.29Å; W43-N118 HydrophobicContact CZ3-CB 4.28Å
44Q80.1Confident89.3Confident116 Ų11634.8 Ų34.854%0.54217%0.166SC..EExtended strand (participates in β ladder)trans-111.896.6175.9-62-165.124.100110K46 V47 D49Q44-K46 PolarHBondContact O-N 3.4Å; Q44-V47 PolarHBondContact N-O 3.01Å; Q44-V47 PolarHBondContact O-N 3.24Å; Q44-D49 VanDerWaalsContact CD-OD2 3.25Å; Q44-D49 WeakPolarHBondContact CG-OD2 3.28Å; Q44-D49 PolarHBondContact NE2-OD2 3.12Å
45K80.6Confident89.7Confident195 Ų19535 Ų3585%0.84817%0.173SC*.THydrogen-bonded Turntrans58.1-84.2179.4-59.8176.4179.9174.90114.3W43W43-K45 PolarHBondContact NE1-O 2.96Å
46K83.6Confident89.8Confident99 Ų9934.9 Ų34.943%0.4317%0.173SC..THydrogen-bonded Turntrans-128.51.6-178.8-65.1-166.5175-164.70112.7Q7 K8 Q44Q7-K46 HydrophobicContact CB-CB 4.24Å; Q7-K46 PolarHBondContact N-O 2.8Å; K8-K46 PolarHBondContact N-O 3.45Å; Q44-K46 PolarHBondContact O-N 3.4Å
47V88.8Confident89.7Confident47 Ų4737.9 Ų37.929%0.28519%0.192SC..EExtended strand (participates in β ladder)trans-109.3129.1177.9-175.20000107.5K8 V10 Q44K8-V47 HydrophobicContact CB-CG1 4.41Å; K8-V47 HydrophobicContact CB-CG2 4.37Å; K8-V47 WeakPolarHBondContact O-CA 3.38Å; V10-V47 HydrophobicContact CG2-CG1 3.56Å; Q44-V47 PolarHBondContact N-O 3.01Å; Q44-V47 PolarHBondContact O-N 3.24Å
48L90.1Very high89.5Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-95.2113.6173.7173.462.7000108.7V6 K8 V9 V10 W43 V50 V92 V120V6-L48 HydrophobicContact CG1-CB 4.02Å; K8-L48 PolarHBondContact O-N 2.67Å; V9-L48 HydrophobicContact CG1-CD2 4.27Å; V9-L48 HydrophobicContact CG2-CB 4.38Å; V9-L48 HydrophobicContact CG2-CD2 4.32Å; V10-L48 PolarHBondContact N-O 2.99Å; W43-L48 HydrophobicContact CE3-CB 4.28Å; W43-L48 HydrophobicContact CE3-CD1 3.87Å; W43-L48 HydrophobicContact CZ3-CB 4.36Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; L48-V50 HydrophobicContact CD2-CG2 4.25Å; L48-V50 HydrophobicContact CG-CG2 4.08Å; L48-V92 HydrophobicContact CD1-CB 3.46Å; L48-V92 VanDerWaalsContact CD1-CB 3.46Å; L48-V92 HydrophobicContact CD1-CG1 3.52Å; L48-V92 HydrophobicContact CD1-CG2 3.91Å; L48-V92 HydrophobicContact CD2-CB 4.28Å; L48-V92 HydrophobicContact CD2-CG2 4.43Å; L48-V92 HydrophobicContact CG-CB 4.45Å; L48-V120 HydrophobicContact CD2-CB 3.86Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.59Å
49D91.4Very high89.1Confident25 Ų2543.8 Ų43.813%0.13422%0.223CC..EExtended strand (participates in β ladder)trans-97.2113.5176.4-63.1-38.1000109.2G41 S42 Q44G41-D49 CarbonylContact C-O 3.58Å; G41-D49 WeakPolarHBondContact CA-O 3.07Å; S42-D49 PolarHBondContact N-O 3.36Å; S42-D49 PolarHBondContact O-N 3.4Å; S42-D49 VanDerWaalsContact O-N 3.1Å; Q44-D49 VanDerWaalsContact CD-OD2 3.25Å; Q44-D49 WeakPolarHBondContact CG-OD2 3.28Å; Q44-D49 PolarHBondContact NE2-OD2 3.12Å
50V92.9Very high88.5Confident0 Ų044.9 Ų44.90%023%0.228CC..EExtended strand (participates in β ladder)trans-97.8101.2-179.5-170.80000108.6V9 V10 H12 V15 L39 L48V9-V50 HydrophobicContact CG1-CG2 3.95Å; V10-V50 PolarHBondContact O-N 3.11Å; H12-V50 WeakPolarHBondContact CB-O 3.46Å; H12-V50 PolarHBondContact CD2-O 3Å; H12-V50 PolarHBondContact N-O 2.94Å; H12-V50 VanDerWaalsContact N-O 3.09Å; V15-V50 HydrophobicContact CG1-CG1 4.44Å; V15-V50 HydrophobicContact CG2-CG1 4.08Å; L39-V50 HydrophobicContact CB-CG1 4.08Å; L39-V50 HydrophobicContact CD1-CG1 4.32Å; L39-V50 HydrophobicContact CD2-CG1 3.77Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L48-V50 HydrophobicContact CD2-CG2 4.25Å; L48-V50 HydrophobicContact CG-CG2 4.08Å
51S90.3Very high88Confident31 Ų3148 Ų4822%0.21724%0.244CC..EExtended strand (participates in β ladder)trans-92.3-37.6-174-48.40000112.6L40L40-S51 PolarHBondContact O-N 2.9Å; L40-S51 VanDerWaalsContact O-N 3.16Å
52N92.3Very high87.2Confident35 Ų3553.4 Ų53.419%0.18727%0.273CS..EExtended strand (participates in β ladder)trans-143163.9-172.3-157.8-0.5000111.4L40L40-N52 CarbonylContact C-O 3.54Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.21Å; L40-N52 PolarHBondContact N-O 2.96Å; L40-N52 PolarHBondContact O-N 2.97Å; L40-N52 VanDerWaalsContact O-N 3.07Å
53S93.1Very high86.7Confident4 Ų460.6 Ų60.63%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-156.1146.4179.867.10000110.3S18 V38S18-S53 PolarHBondContact OG-O 2.61Å; V38-S53 VanDerWaalsContact O-CA 3.31Å; V38-S53 WeakPolarHBondContact O-CA 3.34Å
54F92.8Very high86.3Confident15 Ų1560.9 Ų60.97%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-131.8151.9172.765.7-87.6000111.6G37 V38 L40 V56 Y74 M78 F82G37-F54 CarbonylContact C-O 3.54Å; G37-F54 VanDerWaalsContact CA-O 3.28Å; G37-F54 WeakPolarHBondContact CA-O 3.34Å; V38-F54 HydrophobicContact CB-CD1 4.37Å; V38-F54 HydrophobicContact CB-CE1 3.82Å; V38-F54 HydrophobicContact CB-CE2 4.11Å; V38-F54 HydrophobicContact CB-CZ 3.68Å; V38-F54 HydrophobicContact CG1-CE1 3.88Å; V38-F54 HydrophobicContact CG1-CZ 3.94Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CZ 4.07Å; V38-F54 PolarHBondContact N-O 3.43Å; V38-F54 PolarHBondContact O-N 3.49Å; V38-F54 VanDerWaalsContact O-N 3.1Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.85Å; L40-F54 HydrophobicContact CD2-CE1 4.04Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.94Å; F54-V56 HydrophobicContact CD2-CG2 4.18Å; F54-V56 HydrophobicContact CE2-CG2 3.8Å; F54-Y74 HydrophobicContact CD2-CE1 4.45Å; F54-M78 HydrophobicContact CD2-CB 4.18Å; F54-M78 HydrophobicContact CE2-CB 3.79Å; F54-M78 HydrophobicContact CE2-CG 4.45Å; F54-M78 HydrophobicContact CZ-CB 4.15Å; F54-F82 HydrophobicContact CB-CE2 3.94Å; F54-F82 HydrophobicContact CB-CZ 4.26Å; F54-F82 AromaticContact CD1-CD2 3.94Å; F54-F82 HydrophobicContact CD1-CD2 3.94Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CZ 4.49Å; F54-F82 HydrophobicContact CE1-CD2 4.22Å; F54-F82 HydrophobicContact CE1-CE2 4.39Å; F54-F82 AromaticContact CG-CE2 3.89Å; F54-F82 HydrophobicContact CG-CE2 3.89Å
55A91Very high85.9Confident31 Ų3159.1 Ų59.126%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-68137.5175.600000111.6H22 Y74H22-A55 WeakPolarHBondContact CE1-CA 3.34Å; H22-A55 WeakPolarHBondContact CE1-CB 3.38Å; H22-A55 VanDerWaalsContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact NE2-CB 3.32Å; A55-Y74 WeakPolarHBondContact O-CE1 3.36Å
56V90.3Very high85.7Confident2 Ų254.8 Ų54.81%0.01230%0.297CS..  trans-117.3135.5165.2178.40000108V36 V38 F54 F58 L70 Y74V36-V56 PolarHBondContact O-N 2.93Å; V38-V56 HydrophobicContact CG2-CG2 3.64Å; F54-V56 HydrophobicContact CD2-CG2 4.18Å; F54-V56 HydrophobicContact CE2-CG2 3.8Å; V56-F58 PolarHBondContact O-N 3.39Å; V56-L70 HydrophobicContact CG1-CD2 4.14Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; V56-Y74 HydrophobicContact CG1-CD1 4.48Å; V56-Y74 HydrophobicContact CG2-CD1 4.47Å
57P88.6Confident85.8Confident63 Ų6354.3 Ų54.341%0.40930%0.302SS..  trans-54.7116171.4-24.834.9000110
58F87.5Confident85.7Confident22 Ų2254.9 Ų54.910%0.09630%0.3CS..EExtended strand (participates in β ladder)trans-134.7126.2-177.3175.9-97.1000108.6V36 V56 E60 W68 F69 L70 I108V36-F58 HydrophobicContact CB-CB 3.89Å; V36-F58 HydrophobicContact CB-CD1 4.08Å; V36-F58 HydrophobicContact CB-CD2 4.07Å; V36-F58 HydrophobicContact CB-CG 3.74Å; V36-F58 HydrophobicContact CG2-CB 4.39Å; V36-F58 HydrophobicContact CG2-CD1 3.61Å; V36-F58 HydrophobicContact CG2-CD2 3.94Å; V36-F58 HydrophobicContact CG2-CE1 3.76Å; V36-F58 HydrophobicContact CG2-CE2 4.08Å; V36-F58 HydrophobicContact CG2-CG 3.7Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V56-F58 PolarHBondContact O-N 3.39Å; F58-E60 HydrophobicContact CE1-CB 3.76Å; F58-E60 HydrophobicContact CZ-CB 4.03Å; F58-W68 HydrophobicContact CE2-CB 3.86Å; F58-W68 HydrophobicContact CE2-CD2 4.42Å; F58-W68 HydrophobicContact CE2-CE3 4.05Å; F58-W68 HydrophobicContact CE2-CG 4.39Å; F58-W68 HydrophobicContact CZ-CB 3.96Å; F58-F69 WeakPolarHBondContact CA-O 3.4Å; F58-F69 VanDerWaalsContact CD2-O 3.26Å; F58-F69 WeakPolarHBondContact CD2-O 3.48Å; F58-L70 HydrophobicContact CD2-CB 4.44Å; F58-I108 HydrophobicContact CE2-CD1 3.77Å; F58-I108 HydrophobicContact CE2-CG1 4.49Å; F58-I108 HydrophobicContact CZ-CD1 3.85Å
59D85.6Confident85.6Confident102 Ų10260.6 Ų60.655%0.54533%0.325SS..EExtended strand (participates in β ladder)trans-124.9135.1175.4-79.3-48.5000109.2W68 F69D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.34Å; D59-F69 PolarHBondContact N-O 3.21Å; D59-F69 PolarHBondContact O-N 2.95Å
60E81.7Confident85.4Confident25 Ų2559.8 Ų59.812%0.11732%0.32CS..EExtended strand (participates in β ladder)trans-127.2137.9176.5-176.2166.8-144.600108K33 R34 F58 N104K33-E60 PolarHBondContact NZ-O 3.41Å; R34-E60 IonicContact CZ-OE1 3.45Å; R34-E60 IonicContact CZ-OE2 3.2Å; R34-E60 IonicContact NE-OE2 2.83Å; R34-E60 PolarHBondContact NE-OE2 3.46Å; R34-E60 IonicContact NH2-OE1 2.72Å; R34-E60 PolarHBondContact NH2-OE1 2.92Å; R34-E60 IonicContact NH2-OE2 3.92Å; R34-E60 PolarHBondContact NH2-OE2 3.35Å; F58-E60 HydrophobicContact CE1-CB 3.76Å; F58-E60 HydrophobicContact CZ-CB 4.03Å; E60-N104 PolarHBondContact OE1-ND2 3.4Å
61D82.4Confident85.3Confident66 Ų6662 Ų6235%0.35333%0.332SS..  trans-74.1138.3172.5-164.6-5.9000109.7K63 V67D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.35Å; D61-K63 PolarHBondContact OD1-N 3.39Å; D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 3.28Å
62D75.1Confident85.1Confident115 Ų11563.6 Ų63.662%0.61534%0.336SS*.SBendtrans-77.3-16.2179.8-59.7-59.7000112.1K33K33-D62 VanDerWaalsContact CE-CG 3.44Å; K33-D62 WeakPolarHBondContact CE-OD1 3.32Å; K33-D62 WeakPolarHBondContact CE-OD2 3.33Å; K33-D62 IonicContact NZ-OD1 3.12Å; K33-D62 PolarHBondContact NZ-OD1 2.98Å; K33-D62 IonicContact NZ-OD2 2.84Å; K33-D62 PolarHBondContact NZ-OD2 3.48Å
63K77.9Confident84.9Confident184 Ų18467.4 Ų67.480%0.836%0.356SS*.SBendtrans-98-39.5-177.5-66.5-179.9-177.6174.90112.9D61D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.35Å; D61-K63 PolarHBondContact OD1-N 3.39Å
64D76.7Confident84.8Confident102 Ų10271.4 Ų71.455%0.54537%0.371SS..  trans-121.697.5-178.7-80.7-40.1000110.1S66 V67D64-S66 PolarHBondContact O-N 3.23Å; D64-V67 HydrophobicContact CB-CG2 4.16Å; D64-V67 PolarHBondContact O-N 3.08Å
65D71.9Confident84.6Confident78 Ų7870.7 Ų70.742%0.41737%0.368SS..THydrogen-bonded Turntrans-49-34.4174.7-77.77.6000112.1V67 N104D65-V67 PolarHBondContact O-N 2.97Å; D65-N104 VanDerWaalsContact C-CG 3.46Å; D65-N104 VanDerWaalsContact C-ND2 3.27Å; D65-N104 VanDerWaalsContact C-OD1 3.24Å; D65-N104 WeakPolarHBondContact CA-ND2 3.43Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.39Å; D65-N104 PolarHBondContact O-ND2 3.07Å; D65-N104 PolarHBondContact O-OD1 3.19Å
66S76.9Confident84.5Confident104 Ų10475.2 Ų75.273%0.72738%0.384SS*.THydrogen-bonded Turntrans-71.1-13-176.9-60.40000114.9D64D64-S66 PolarHBondContact O-N 3.23Å
67V84.4Confident84.6Confident89 Ų8980 Ų8054%0.53941%0.409SS..  trans-101.9104.5-178.5-175.90000109.4D61 D64 D65D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 3.28Å; D64-V67 HydrophobicContact CB-CG2 4.16Å; D64-V67 PolarHBondContact O-N 3.08Å; D65-V67 PolarHBondContact O-N 2.97Å
68W87.6Confident84.6Confident60 Ų6078.7 Ų78.723%0.22740%0.399CS..EExtended strand (participates in β ladder)trans-134.7151.7175.458.2-89000110.6F58 D59 L70 A107 I108 L111F58-W68 HydrophobicContact CE2-CB 3.86Å; F58-W68 HydrophobicContact CE2-CD2 4.42Å; F58-W68 HydrophobicContact CE2-CE3 4.05Å; F58-W68 HydrophobicContact CE2-CG 4.39Å; F58-W68 HydrophobicContact CZ-CB 3.96Å; D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.34Å; W68-L70 HydrophobicContact CE3-CB 4.02Å; W68-L70 HydrophobicContact CZ3-CB 3.67Å; W68-L70 HydrophobicContact CZ3-CD1 4.5Å; W68-A107 HydrophobicContact CZ2-CB 3.99Å; W68-I108 HydrophobicContact CD2-CD1 4.47Å; W68-I108 HydrophobicContact CD2-CG1 3.85Å; W68-I108 HydrophobicContact CE3-CG1 4.02Å; W68-I108 HydrophobicContact CG-CG1 4.45Å; W68-I108 HydrophobicContact CH2-CG1 4.03Å; W68-I108 HydrophobicContact CZ2-CG1 3.89Å; W68-I108 HydrophobicContact CZ3-CG1 4.1Å; W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.76Å; W68-L111 HydrophobicContact CZ3-CD1 4.31Å
69F87.9Confident84.7Confident120 Ų12079.8 Ų79.853%0.52640%0.402SS..EExtended strand (participates in β ladder)trans-122.5131.8178.5178.6-99.5000109.8F58 D59 D71F58-F69 WeakPolarHBondContact CA-O 3.4Å; F58-F69 VanDerWaalsContact CD2-O 3.26Å; F58-F69 WeakPolarHBondContact CD2-O 3.48Å; D59-F69 PolarHBondContact N-O 3.21Å; D59-F69 PolarHBondContact O-N 2.95Å; F69-D71 HydrophobicContact CE1-CB 4.2Å; F69-D71 HydrophobicContact CZ-CB 4.44Å
70L87.1Confident85Confident7 Ų776.3 Ų76.34%0.03739%0.391CS..EExtended strand (participates in β ladder)trans-134.5126.8173.2-170151.8000108.7V36 V56 F58 W68 H72 I108 L111 M112V36-L70 HydrophobicContact CG1-CD1 4.4Å; V56-L70 HydrophobicContact CG1-CD2 4.14Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; F58-L70 HydrophobicContact CD2-CB 4.44Å; W68-L70 HydrophobicContact CE3-CB 4.02Å; W68-L70 HydrophobicContact CZ3-CB 3.67Å; W68-L70 HydrophobicContact CZ3-CD1 4.5Å; L70-H72 WeakPolarHBondContact CD2-ND1 3.27Å; L70-H72 PolarHBondContact O-N 3.45Å; L70-I108 HydrophobicContact CD1-CG2 4.44Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å; L70-M112 HydrophobicContact CD1-CE 3.95Å
71D90.3Very high85.4Confident48 Ų4880.2 Ų80.226%0.25741%0.41SS..  trans-79.9106.4179.4-169.8-20.3000111.7F69 D73 Y74 L75F69-D71 HydrophobicContact CE1-CB 4.2Å; F69-D71 HydrophobicContact CZ-CB 4.44Å; D71-D73 PolarHBondContact OD1-N 3.42Å; D71-Y74 VanDerWaalsContact CG-CB 3.49Å; D71-Y74 PolarHBondContact OD1-N 3.31Å; D71-L75 PolarHBondContact O-N 2.9Å
72H85.2Confident85.7Confident63 Ų6379.7 Ų79.729%0.29241%0.405SS..Hα-helixtrans-74.7-33.9176.9-60.5-39.7000113.5L70 Y74 L75 E76 L111L70-H72 WeakPolarHBondContact CD2-ND1 3.27Å; L70-H72 PolarHBondContact O-N 3.45Å; H72-Y74 VanDerWaalsContact C-N 3.32Å; H72-L75 WeakPolarHBondContact O-CB 3.41Å; H72-L75 PolarHBondContact O-N 2.93Å; H72-E76 PolarHBondContact O-N 3.43Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.41Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.3Å; H72-L111 VanDerWaalsContact NE2-CD1 3.27Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.49Å
73D89.7Confident86.5Confident116 Ų11679.4 Ų79.462%0.6240%0.398SS*.Hα-helixtrans-68.9-39.5-177.9-70.2-8.3000109.3D71 N77D71-D73 PolarHBondContact OD1-N 3.42Å; D73-N77 WeakPolarHBondContact O-CB 3.47Å; D73-N77 VanDerWaalsContact O-CG 3.32Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 PolarHBondContact O-ND2 3.23Å
74Y90.6Very high87.1Confident87 Ų8779.2 Ų79.234%0.34140%0.397SS..Hα-helixtrans-61-44.9172.3-173.4-97.1000111.9F54 A55 V56 D71 H72 E76 N77 M78F54-Y74 HydrophobicContact CD2-CE1 4.45Å; A55-Y74 WeakPolarHBondContact O-CE1 3.36Å; V56-Y74 HydrophobicContact CG1-CD1 4.48Å; V56-Y74 HydrophobicContact CG2-CD1 4.47Å; D71-Y74 VanDerWaalsContact CG-CB 3.49Å; D71-Y74 PolarHBondContact OD1-N 3.31Å; H72-Y74 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 3.25Å; Y74-N77 PolarHBondContact O-N 2.9Å; Y74-M78 HydrophobicContact CD1-CG 3.91Å; Y74-M78 HydrophobicContact CD2-CG 4.25Å; Y74-M78 HydrophobicContact CE1-CB 4.45Å; Y74-M78 HydrophobicContact CE1-CG 3.44Å; Y74-M78 VanDerWaalsContact CE1-CG 3.44Å; Y74-M78 HydrophobicContact CE1-SD 4.49Å; Y74-M78 HydrophobicContact CE2-CE 4.43Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.29Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 WeakPolarHBondContact O-CG 3.42Å; Y74-M78 PolarHBondContact O-N 3.29Å
75L88.5Confident87.8Confident0 Ų080.5 Ų80.50%041%0.409CS..Hα-helixtrans-58.8-48.6179.1-174.8161000111.5V38 D71 H72 Y79 I91 M112 Y115V38-L75 HydrophobicContact CG2-CD1 3.61Å; V38-L75 HydrophobicContact CG2-CG 4.03Å; D71-L75 PolarHBondContact O-N 2.9Å; H72-L75 WeakPolarHBondContact O-CB 3.41Å; H72-L75 PolarHBondContact O-N 2.93Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.42Å; L75-I91 HydrophobicContact CD2-CD1 3.79Å; L75-M112 HydrophobicContact CD1-CE 3.98Å; L75-M112 HydrophobicContact CD1-SD 3.89Å; L75-Y115 HydrophobicContact CD1-CE2 4.49Å; L75-Y115 HydrophobicContact CD2-CD1 4.14Å; L75-Y115 HydrophobicContact CD2-CE1 3.99Å; L75-Y115 HydrophobicContact CD2-CE2 4.45Å; L75-Y115 HydrophobicContact CD2-CG 4.43Å
76E89Confident88.5Confident126 Ų12679.4 Ų79.459%0.58940%0.403SS*.Hα-helixtrans-67.7-41.7-178.2-171.7167.2-169.400112.1H72 Y74 G80H72-E76 PolarHBondContact O-N 3.43Å; Y74-E76 PolarHBondContact O-N 3.25Å; E76-G80 PolarHBondContact O-N 3.16Å
77N91.9Very high89Confident102 Ų10278.2 Ų78.255%0.54540%0.399SS..Hα-helixtrans-64.1-47.7177.1-76.5-51.2000112D73 Y74 G80 M81D73-N77 WeakPolarHBondContact O-CB 3.47Å; D73-N77 VanDerWaalsContact O-CG 3.32Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 PolarHBondContact O-ND2 3.23Å; Y74-N77 PolarHBondContact O-N 2.9Å; N77-G80 PolarHBondContact O-N 3.44Å; N77-M81 WeakPolarHBondContact O-CG 3.27Å; N77-M81 PolarHBondContact O-N 2.91Å; N77-M81 VanDerWaalsContact O-N 3.1Å
78M89.4Confident89.1Confident37 Ų3783.8 Ų83.818%0.18241%0.41CS..Hα-helixtrans-65.2-44177.5-74.2-61.399.800111.7F54 Y74 G80 M81 F82F54-M78 HydrophobicContact CD2-CB 4.18Å; F54-M78 HydrophobicContact CE2-CB 3.79Å; F54-M78 HydrophobicContact CE2-CG 4.45Å; F54-M78 HydrophobicContact CZ-CB 4.15Å; Y74-M78 HydrophobicContact CD1-CG 3.91Å; Y74-M78 HydrophobicContact CD2-CG 4.25Å; Y74-M78 HydrophobicContact CE1-CB 4.45Å; Y74-M78 HydrophobicContact CE1-CG 3.44Å; Y74-M78 VanDerWaalsContact CE1-CG 3.44Å; Y74-M78 HydrophobicContact CE1-SD 4.49Å; Y74-M78 HydrophobicContact CE2-CE 4.43Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.29Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 WeakPolarHBondContact O-CG 3.42Å; Y74-M78 PolarHBondContact O-N 3.29Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.92Å; M78-M81 HydrophobicContact CE-CE 3.68Å; M78-M81 HydrophobicContact CE-CG 4.46Å; M78-M81 HydrophobicContact CE-SD 3.46Å; M78-M81 WeakPolarHBondContact CE-SD 3.47Å; M78-M81 WeakPolarHBondContact O-CB 3.5Å; M78-M81 PolarHBondContact O-N 3.47Å; M78-M81 HydrophobicContact SD-SD 4.48Å; M78-F82 VanDerWaalsContact O-CD2 3.3Å; M78-F82 WeakPolarHBondContact O-CD2 3.5Å; M78-F82 PolarHBondContact O-N 2.99Å
79Y89.9Confident89Confident44 Ų4482.2 Ų82.217%0.17341%0.406CS..Hα-helixtrans-58.9-41.2174.9177.7-118.8000111.5L40 L75 M81 F82 K83 I91L40-Y79 HydrophobicContact CD2-CD2 4.12Å; L40-Y79 HydrophobicContact CD2-CE2 4.41Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.42Å; Y79-M81 VanDerWaalsContact C-N 3.27Å; Y79-M81 PolarHBondContact O-N 2.97Å; Y79-F82 PolarHBondContact O-N 3.38Å; Y79-K83 HydrophobicContact CE1-CD 4.08Å; Y79-K83 VanDerWaalsContact O-CB 3.26Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.89Å; Y79-I91 HydrophobicContact CD1-CD1 4.09Å; Y79-I91 HydrophobicContact CD2-CD1 3.82Å; Y79-I91 HydrophobicContact CD2-CG1 3.59Å; Y79-I91 HydrophobicContact CE2-CD1 4.28Å; Y79-I91 HydrophobicContact CE2-CG1 3.82Å; Y79-I91 HydrophobicContact CG-CD1 3.73Å; Y79-I91 HydrophobicContact CG-CG1 4.06Å
80G91Very high89.1Confident29 Ų2984.6 Ų84.630%0.29941%0.411SS..Hα-helixtrans-59.4-34.3173.500000113.6E76 N77 M78 K84E76-G80 PolarHBondContact O-N 3.16Å; N77-G80 PolarHBondContact O-N 3.44Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.92Å; G80-K84 VanDerWaalsContact O-CG 3.29Å; G80-K84 WeakPolarHBondContact O-CG 3.41Å; G80-K84 PolarHBondContact O-N 2.99Å
81M90.4Very high89.3Confident107 Ų10785 Ų8553%0.52741%0.413SS..Hα-helixtrans-73.3-48174.2-65.3-173.4-169.800112.1N77 M78 Y79 K83 K84 V85N77-M81 WeakPolarHBondContact O-CG 3.27Å; N77-M81 PolarHBondContact O-N 2.91Å; N77-M81 VanDerWaalsContact O-N 3.1Å; M78-M81 HydrophobicContact CE-CE 3.68Å; M78-M81 HydrophobicContact CE-CG 4.46Å; M78-M81 HydrophobicContact CE-SD 3.46Å; M78-M81 WeakPolarHBondContact CE-SD 3.47Å; M78-M81 WeakPolarHBondContact O-CB 3.5Å; M78-M81 PolarHBondContact O-N 3.47Å; M78-M81 HydrophobicContact SD-SD 4.48Å; Y79-M81 VanDerWaalsContact C-N 3.27Å; Y79-M81 PolarHBondContact O-N 2.97Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.42Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.29Å; M81-V85 PolarHBondContact O-N 3.33Å
82F89.3Confident89.3Confident56 Ų5683.3 Ų83.325%0.24640%0.404CS..Hα-helixtrans-59.9-40.3177.8-82.3-72.2000112L40 F54 M78 Y79 K84 V85 N86L40-F82 HydrophobicContact CD1-CB 3.91Å; L40-F82 HydrophobicContact CD1-CD1 3.99Å; L40-F82 HydrophobicContact CD1-CD2 3.92Å; L40-F82 HydrophobicContact CD1-CE2 4.47Å; L40-F82 HydrophobicContact CD1-CG 3.67Å; F54-F82 HydrophobicContact CB-CE2 3.94Å; F54-F82 HydrophobicContact CB-CZ 4.26Å; F54-F82 AromaticContact CD1-CD2 3.94Å; F54-F82 HydrophobicContact CD1-CD2 3.94Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CZ 4.49Å; F54-F82 HydrophobicContact CE1-CD2 4.22Å; F54-F82 HydrophobicContact CE1-CE2 4.39Å; F54-F82 AromaticContact CG-CE2 3.89Å; F54-F82 HydrophobicContact CG-CE2 3.89Å; M78-F82 VanDerWaalsContact O-CD2 3.3Å; M78-F82 WeakPolarHBondContact O-CD2 3.5Å; M78-F82 PolarHBondContact O-N 2.99Å; Y79-F82 PolarHBondContact O-N 3.38Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.41Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-V85 VanDerWaalsContact O-N 3.12Å; F82-N86 PolarHBondContact O-N 3.35Å
83K89.9Confident89.7Confident108 Ų10880.3 Ų80.347%0.4739%0.391SS..Hα-helixtrans-65-27.8176.6-167171.5-171.5168.20113.5Y79 M81Y79-K83 HydrophobicContact CE1-CD 4.08Å; Y79-K83 VanDerWaalsContact O-CB 3.26Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.89Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.42Å
84K91.6Very high89.9Confident181 Ų18174.8 Ų74.879%0.78736%0.361SS*.Hα-helixtrans-73.7-33.8173.3-73.7169.8-174.4176.90112.1G80 M81 F82G80-K84 VanDerWaalsContact O-CG 3.29Å; G80-K84 WeakPolarHBondContact O-CG 3.41Å; G80-K84 PolarHBondContact O-N 2.99Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.29Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.41Å
85V91.9Very high90Very high129 Ų12970.7 Ų70.778%0.78235%0.345SS*.Hα-helixtrans-78.2-46.6178.5178.20000110.7M81 F82M81-V85 PolarHBondContact O-N 3.33Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-V85 VanDerWaalsContact O-N 3.12Å
86N86.8Confident90.1Very high55 Ų5570.7 Ų70.729%0.29435%0.345SS..  trans-136108.6-179.8-169.4-4.9000111F82 R88 E89F82-N86 PolarHBondContact O-N 3.35Å; N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 WeakPolarHBondContact OD1-CB 3.46Å; N86-R88 PolarHBondContact OD1-N 3.16Å; N86-R88 VanDerWaalsContact OD1-N 3.12Å; N86-E89 HydrophobicContact CB-CG 4.37Å; N86-E89 PolarHBondContact ND2-OE1 2.85Å; N86-E89 PolarHBondContact O-N 3.13Å
87A86.2Confident90Very high78 Ų7865.1 Ų65.165%0.64532%0.32SS*.THydrogen-bonded Turntrans-73-14.2-179.200000113.9
88R86.1Confident88.9Confident207 Ų20760.4 Ų60.478%0.78130%0.295SS*.THydrogen-bonded Turntrans-80.6-27.4179.1-66.1-176.2176.7-178.10.1112.3N86N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 WeakPolarHBondContact OD1-CB 3.46Å; N86-R88 PolarHBondContact OD1-N 3.16Å; N86-R88 VanDerWaalsContact OD1-N 3.12Å
89E87.1Confident88.1Confident27 Ų2763.5 Ų63.513%0.12632%0.318CS..  trans-74.2127.3179.7-78.5172.2-142.800111N86N86-E89 HydrophobicContact CB-CG 4.37Å; N86-E89 PolarHBondContact ND2-OE1 2.85Å; N86-E89 PolarHBondContact O-N 3.13Å
90R89.9Confident87.6Confident170 Ų17068.8 Ų68.864%0.64234%0.342SS*.EExtended strand (participates in β ladder)trans-125.1158.4173-62.1-174.6-179.7-168.90.3108.7L40 G41 V92L40-R90 CarbonylContact C-O 3.57Å; L40-R90 WeakPolarHBondContact CA-O 3.21Å; G41-R90 PolarHBondContact N-O 3.5Å; G41-R90 PolarHBondContact O-N 3.42Å; R90-V92 PolarHBondContact O-N 3.48Å
91I91Very high87.3Confident15 Ų1570.4 Ų70.48%0.07734%0.344CS..EExtended strand (participates in β ladder)trans-63.3132.6166.7-58.2167.5000106.6V38 L40 L75 Y79 C116V38-I91 HydrophobicContact CG1-CB 4.41Å; V38-I91 HydrophobicContact CG1-CD1 4.49Å; V38-I91 HydrophobicContact CG1-CG1 4.02Å; V38-I91 HydrophobicContact CG1-CG2 3.69Å; L40-I91 HydrophobicContact CD2-CB 4.43Å; L40-I91 HydrophobicContact CD2-CG1 3.77Å; L75-I91 HydrophobicContact CD2-CD1 3.79Å; Y79-I91 HydrophobicContact CD1-CD1 4.09Å; Y79-I91 HydrophobicContact CD2-CD1 3.82Å; Y79-I91 HydrophobicContact CD2-CG1 3.59Å; Y79-I91 HydrophobicContact CE2-CD1 4.28Å; Y79-I91 HydrophobicContact CE2-CG1 3.82Å; Y79-I91 HydrophobicContact CG-CD1 3.73Å; Y79-I91 HydrophobicContact CG-CG1 4.06Å; I91-C116 WeakPolarHBondContact CB-SG 3.42Å; I91-C116 WeakPolarHBondContact CG2-SG 3.28Å; I91-C116 PolarHBondContact O-SG 3.45Å
92V90.8Very high86.9Confident12 Ų1268.7 Ų68.77%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-123.6-14.5-179.5-68.30000112.2L39 L48 R90 V120L39-V92 HydrophobicContact CB-CG2 3.94Å; L39-V92 WeakPolarHBondContact O-CG2 3.32Å; L39-V92 PolarHBondContact O-N 2.89Å; L48-V92 HydrophobicContact CD1-CB 3.46Å; L48-V92 VanDerWaalsContact CD1-CB 3.46Å; L48-V92 HydrophobicContact CD1-CG1 3.52Å; L48-V92 HydrophobicContact CD1-CG2 3.91Å; L48-V92 HydrophobicContact CD2-CB 4.28Å; L48-V92 HydrophobicContact CD2-CG2 4.43Å; L48-V92 HydrophobicContact CG-CB 4.45Å; R90-V92 PolarHBondContact O-N 3.48Å; V92-V120 PolarHBondContact O-N 3.14Å
93G92.1Very high86.6Confident1 Ų174.6 Ų74.61%0.0136%0.359CS..EExtended strand (participates in β ladder)trans165.7-156.9-178.300000110.9L39 V120L39-G93 PolarHBondContact N-O 2.91Å; G93-V120 CarbonylContact C-O 3.56Å; G93-V120 WeakPolarHBondContact CA-O 3.49Å
94W93.5Very high86.4Confident0 Ų069.9 Ų69.90%034%0.339CS..EExtended strand (participates in β ladder)trans-144.4156.9-179.663.5-75.2000109.7V36 G37 H96 D105 I108 N109 M112 V120 L121 V122V36-W94 HydrophobicContact CG1-CE3 3.79Å; V36-W94 HydrophobicContact CG1-CZ3 4.2Å; V36-W94 HydrophobicContact CG2-CZ3 4.26Å; G37-W94 CarbonylContact O-C 3.55Å; G37-W94 VanDerWaalsContact O-CA 3.26Å; G37-W94 WeakPolarHBondContact O-CA 3.38Å; G37-W94 VanDerWaalsContact O-CB 3.3Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; W94-H96 HydrophobicContact CE3-CB 4.41Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.94Å; W94-H96 AromaticContact CZ3-CD2 3.58Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.29Å; W94-I108 HydrophobicContact CD2-CG2 4.08Å; W94-I108 HydrophobicContact CE3-CG2 3.99Å; W94-I108 HydrophobicContact CH2-CB 3.89Å; W94-I108 HydrophobicContact CH2-CD1 4.29Å; W94-I108 HydrophobicContact CH2-CG2 3.66Å; W94-I108 HydrophobicContact CZ2-CB 4.02Å; W94-I108 HydrophobicContact CZ2-CG2 3.8Å; W94-I108 HydrophobicContact CZ3-CB 4.42Å; W94-I108 HydrophobicContact CZ3-CD1 4.46Å; W94-I108 HydrophobicContact CZ3-CG2 3.76Å; W94-N109 HydrophobicContact CZ2-CB 4.07Å; W94-N109 PolarHBondContact NE1-OD1 3.33Å; W94-M112 HydrophobicContact CB-CE 3.86Å; W94-M112 HydrophobicContact CB-CG 4.25Å; W94-M112 HydrophobicContact CG-CE 4.42Å; W94-M112 HydrophobicContact CG-CG 3.98Å; W94-V120 PolarHBondContact N-O 2.98Å; W94-L121 HydrophobicContact CD2-CD1 3.92Å; W94-L121 HydrophobicContact CE3-CD1 3.89Å; W94-L121 HydrophobicContact CH2-CD1 3.78Å; W94-L121 HydrophobicContact CH2-CD2 4.37Å; W94-L121 HydrophobicContact CZ2-CB 4.42Å; W94-L121 HydrophobicContact CZ2-CD1 3.75Å; W94-L121 HydrophobicContact CZ2-CD2 4.15Å; W94-L121 HydrophobicContact CZ2-CG 4.31Å; W94-L121 HydrophobicContact CZ3-CD1 3.85Å; W94-L121 WeakPolarHBondContact O-CA 3.48Å; W94-V122 PolarHBondContact O-N 3.41Å
95Y93.9Very high86.2Confident0 Ų061.2 Ų61.20%030%0.302CS..EExtended strand (participates in β ladder)trans-120.1155.717570.7-87.6000109.7V19 H22 V36 G37 L39 T97 V122 I124V19-Y95 HydrophobicContact CB-CE2 4.1Å; V19-Y95 HydrophobicContact CG1-CD2 4Å; V19-Y95 HydrophobicContact CG1-CE2 3.75Å; V19-Y95 HydrophobicContact CG2-CD1 4.45Å; V19-Y95 HydrophobicContact CG2-CD2 3.73Å; V19-Y95 HydrophobicContact CG2-CE1 4.2Å; V19-Y95 HydrophobicContact CG2-CE2 3.47Å; V19-Y95 VanDerWaalsContact CG2-CE2 3.47Å; V19-Y95 HydrophobicContact CG2-CG 4.21Å; H22-Y95 PolarHBondContact ND1-OH 3.22Å; V36-Y95 WeakPolarHBondContact CA-O 3.49Å; G37-Y95 VanDerWaalsContact C-CE1 3.43Å; G37-Y95 PolarHBondContact N-O 3.39Å; G37-Y95 WeakPolarHBondContact O-CD1 3.42Å; G37-Y95 PolarHBondContact O-N 2.9Å; L39-Y95 HydrophobicContact CD2-CD1 3.43Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L39-Y95 HydrophobicContact CD2-CE1 4.31Å; L39-Y95 HydrophobicContact CD2-CG 4.07Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.48Å; Y95-T97 HydrophobicContact CE2-CG2 4.5Å; Y95-V122 WeakPolarHBondContact CA-O 3.46Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.49Å; Y95-I124 HydrophobicContact CD2-CD1 4.38Å; Y95-I124 HydrophobicContact CG-CD1 4.33Å
96H91.3Very high86Confident0 Ų058 Ų580%028%0.279CS..EExtended strand (participates in β ladder)trans-136.2149.1163.871.668.1000112.1R34 V35 V36 W94 G98 D105 L121 V122 I124R34-H96 HydrophobicContact CG-CB 4.09Å; V35-H96 CarbonylContact O-C 3.35Å; V35-H96 WeakPolarHBondContact O-CA 3.5Å; V36-H96 HydrophobicContact CG2-CB 3.97Å; W94-H96 HydrophobicContact CE3-CB 4.41Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.94Å; W94-H96 AromaticContact CZ3-CD2 3.58Å; H96-G98 PolarHBondContact ND1-N 2.94Å; H96-G98 PolarHBondContact O-N 3.07Å; H96-D105 IonicContact NE2-OD2 3.67Å; H96-D105 PolarHBondContact NE2-OD2 3.23Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.47Å; H96-V122 PolarHBondContact N-O 2.99Å; H96-I124 PolarHBondContact O-N 3.01Å
97T86.1Confident86.1Confident10 Ų1057.4 Ų57.46%0.06128%0.283CS..  trans-93.382.5175.157.40000109.5V19 R34 V35 Y95 V126V19-T97 HydrophobicContact CG1-CG2 3.21Å; R34-T97 WeakPolarHBondContact CA-O 3.46Å; R34-T97 WeakPolarHBondContact CG-O 3.32Å; V35-T97 WeakPolarHBondContact CA-OG1 3.49Å; V35-T97 HydrophobicContact CB-CG2 4.44Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 2.84Å; V35-T97 PolarHBondContact O-N 3.45Å; V35-T97 PolarHBondContact O-OG1 2.98Å; Y95-T97 HydrophobicContact CE2-CG2 4.5Å; T97-V126 VanDerWaalsContact CB-CG2 3.5Å; T97-V126 HydrophobicContact CG2-CG2 3.46Å; T97-V126 VanDerWaalsContact CG2-CG2 3.46Å
98G68.1Low86.2Confident3 Ų353.7 Ų53.73%0.03125%0.252CS..  trans-140.8139.1179.900000109.7H96 K100 I123H96-G98 PolarHBondContact ND1-N 2.94Å; H96-G98 PolarHBondContact O-N 3.07Å; G98-K100 PolarHBondContact O-N 3.37Å; G98-I123 WeakPolarHBondContact O-CG2 3.36Å
99P73.8Confident86.3Confident101 Ų10144 Ų4466%0.65622%0.215SC*.SBendtrans-70.1-16-178.128.4-34.1000112.6
100K79.3Confident86.3Confident156 Ų15646.7 Ų46.768%0.67823%0.228SC*.SBendtrans-148.4158.5-179.7-62.7-175.5-178.6173.70111G98 H102G98-K100 PolarHBondContact O-N 3.37Å; K100-H102 PolarHBondContact O-CE1 2.96Å; K100-H102 PolarHBondContact O-ND1 2.86Å; K100-H102 VanDerWaalsContact O-ND1 3.13Å
101L83.4Confident86.1Confident63 Ų6339.8 Ų39.833%0.3320%0.204SC..  trans-64.9144.2168.8-77.4103000111.6D105 L121 I123 Y138 F155L101-D105 WeakPolarHBondContact CA-OD2 3.41Å; L101-L121 HydrophobicContact CD2-CD2 4.08Å; L101-I123 HydrophobicContact CD1-CD1 3.46Å; L101-I123 VanDerWaalsContact CD1-CD1 3.46Å; L101-I123 HydrophobicContact CG-CD1 3.63Å; L101-Y138 HydrophobicContact CD1-CD2 4.29Å; L101-Y138 HydrophobicContact CD1-CE1 4.07Å; L101-Y138 HydrophobicContact CD1-CE2 3.86Å; L101-F155 HydrophobicContact CD2-CB 3.93Å; L101-F155 HydrophobicContact CD2-CD2 3.32Å; L101-F155 HydrophobicContact CD2-CE2 3.96Å; L101-F155 HydrophobicContact CD2-CG 3.76Å
102H83.4Confident85.9Confident70 Ų7039.2 Ų39.232%0.32420%0.201SC..  trans-113.1157.4172.4-64.672.1000110.1R34 K100 N104 D105R34-H102 PolarHBondContact NH1-ND1 3.35Å; K100-H102 PolarHBondContact O-CE1 2.96Å; K100-H102 PolarHBondContact O-ND1 2.86Å; K100-H102 VanDerWaalsContact O-ND1 3.13Å; H102-N104 PolarHBondContact O-N 2.97Å; H102-N104 VanDerWaalsContact O-N 3.17Å; H102-D105 PolarHBondContact N-OD2 2.91Å; H102-D105 WeakPolarHBondContact O-CB 3.33Å; H102-D105 VanDerWaalsContact O-CG 3.29Å; H102-D105 PolarHBondContact O-N 3.41Å
103K82.3Confident85.7Confident180 Ų18042.2 Ų42.278%0.78321%0.213SC*.THydrogen-bonded Turntrans-60.3-28.1178-170.1177.9177.6-175.10112.1D105 I106K103-D105 PolarHBondContact O-N 3.43Å; K103-I106 VanDerWaalsContact O-CG2 3.23Å; K103-I106 WeakPolarHBondContact O-CG2 3.36Å
104N85.9Confident85.4Confident9 Ų952.2 Ų52.25%0.04825%0.25CS..THydrogen-bonded Turntrans-71-21-176.9-48.3-33.3000113E60 D65 H102 I106 A107 I108E60-N104 PolarHBondContact OE1-ND2 3.4Å; D65-N104 VanDerWaalsContact C-CG 3.46Å; D65-N104 VanDerWaalsContact C-ND2 3.27Å; D65-N104 VanDerWaalsContact C-OD1 3.24Å; D65-N104 WeakPolarHBondContact CA-ND2 3.43Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.39Å; D65-N104 PolarHBondContact O-ND2 3.07Å; D65-N104 PolarHBondContact O-OD1 3.19Å; H102-N104 PolarHBondContact O-N 2.97Å; H102-N104 VanDerWaalsContact O-N 3.17Å; N104-I106 PolarHBondContact O-N 3.26Å; N104-I106 VanDerWaalsContact O-N 3.09Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 3.44Å; N104-I108 PolarHBondContact O-N 2.92Å
105D88.3Confident84.9Confident0 Ų056.4 Ų56.40%027%0.267CS..Hα-helixtrans-60.7-27-176.9-61.8-18.6000111.5R34 W94 H96 L101 H102 K103 N109 L121 F155R34-D105 IonicContact CZ-OD1 2.62Å; R34-D105 IonicContact NH1-OD1 2.75Å; R34-D105 PolarHBondContact NH1-OD1 2.9Å; R34-D105 IonicContact NH1-OD2 3.51Å; R34-D105 IonicContact NH2-OD1 3.33Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.29Å; H96-D105 IonicContact NE2-OD2 3.67Å; H96-D105 PolarHBondContact NE2-OD2 3.23Å; L101-D105 WeakPolarHBondContact CA-OD2 3.41Å; H102-D105 PolarHBondContact N-OD2 2.91Å; H102-D105 WeakPolarHBondContact O-CB 3.33Å; H102-D105 VanDerWaalsContact O-CG 3.29Å; H102-D105 PolarHBondContact O-N 3.41Å; K103-D105 PolarHBondContact O-N 3.43Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.35Å; D105-L121 HydrophobicContact CB-CD2 4.36Å; D105-F155 HydrophobicContact CB-CE2 3.83Å; D105-F155 HydrophobicContact CB-CZ 4.18Å
106I87.4Confident84.2Confident60 Ų6057.1 Ų57.131%0.30827%0.271SS..Hα-helixtrans-67.7-39.3175.5-152.9164000112.6K103 N104 E110 K153K103-I106 VanDerWaalsContact O-CG2 3.23Å; K103-I106 WeakPolarHBondContact O-CG2 3.36Å; N104-I106 PolarHBondContact O-N 3.26Å; N104-I106 VanDerWaalsContact O-N 3.09Å; I106-E110 PolarHBondContact O-N 3.29Å; I106-K153 HydrophobicContact CD1-CB 3.36Å; I106-K153 WeakPolarHBondContact CD1-O 3.47Å; I106-K153 HydrophobicContact CG1-CB 3.97Å
107A87.8Confident83.5Confident44 Ų4461.7 Ų61.736%0.36430%0.301SS..Hα-helixtrans-73.9-41.4179.700000110.4W68 N104 N109 E110 L111W68-A107 HydrophobicContact CZ2-CB 3.99Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 3.44Å; A107-N109 VanDerWaalsContact C-N 3.33Å; A107-E110 PolarHBondContact O-N 2.86Å; A107-L111 PolarHBondContact O-N 3.44Å
108I88.2Confident83.3Confident0 Ų064.7 Ų64.70%032%0.317CS..Hα-helixtrans-61.7-44.3174.3-61.7169.8000109.9F58 W68 L70 W94 N104 E110 L111 M112F58-I108 HydrophobicContact CE2-CD1 3.77Å; F58-I108 HydrophobicContact CE2-CG1 4.49Å; F58-I108 HydrophobicContact CZ-CD1 3.85Å; W68-I108 HydrophobicContact CD2-CD1 4.47Å; W68-I108 HydrophobicContact CD2-CG1 3.85Å; W68-I108 HydrophobicContact CE3-CG1 4.02Å; W68-I108 HydrophobicContact CG-CG1 4.45Å; W68-I108 HydrophobicContact CH2-CG1 4.03Å; W68-I108 HydrophobicContact CZ2-CG1 3.89Å; W68-I108 HydrophobicContact CZ3-CG1 4.1Å; L70-I108 HydrophobicContact CD1-CG2 4.44Å; W94-I108 HydrophobicContact CD2-CG2 4.08Å; W94-I108 HydrophobicContact CE3-CG2 3.99Å; W94-I108 HydrophobicContact CH2-CB 3.89Å; W94-I108 HydrophobicContact CH2-CD1 4.29Å; W94-I108 HydrophobicContact CH2-CG2 3.66Å; W94-I108 HydrophobicContact CZ2-CB 4.02Å; W94-I108 HydrophobicContact CZ2-CG2 3.8Å; W94-I108 HydrophobicContact CZ3-CB 4.42Å; W94-I108 HydrophobicContact CZ3-CD1 4.46Å; W94-I108 HydrophobicContact CZ3-CG2 3.76Å; N104-I108 PolarHBondContact O-N 2.92Å; I108-E110 PolarHBondContact O-N 3.49Å; I108-L111 WeakPolarHBondContact O-CB 3.39Å; I108-L111 PolarHBondContact O-N 3.12Å; I108-M112 PolarHBondContact O-N 2.93Å
109N88.8Confident84.2Confident2 Ų264.8 Ų64.81%0.01132%0.317CS..Hα-helixtrans-66.1-38.3179.9-167.852.7000112.6W94 D105 A107 L111 M112 K113 S119 S140 F155W94-N109 HydrophobicContact CZ2-CB 4.07Å; W94-N109 PolarHBondContact NE1-OD1 3.33Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.35Å; A107-N109 VanDerWaalsContact C-N 3.33Å; N109-L111 PolarHBondContact O-N 3.48Å; N109-M112 PolarHBondContact O-N 3.33Å; N109-K113 WeakPolarHBondContact O-CB 3.48Å; N109-K113 PolarHBondContact O-N 3.02Å; N109-S119 WeakPolarHBondContact OD1-CB 3.38Å; N109-S119 PolarHBondContact OD1-OG 3.42Å; N109-S140 WeakPolarHBondContact ND2-CB 3.46Å; N109-F155 HydrophobicContact CB-CE1 4.34Å; N109-F155 HydrophobicContact CB-CZ 4Å
110E86.9Confident85Confident84 Ų8460 Ų6039%0.39329%0.286SS..Hα-helixtrans-61.9-35.9175.6-167.567.1-174.800111.9I106 A107 I108 K113 K153I106-E110 PolarHBondContact O-N 3.29Å; A107-E110 PolarHBondContact O-N 2.86Å; I108-E110 PolarHBondContact O-N 3.49Å; E110-K113 WeakPolarHBondContact O-CB 3.5Å; E110-K113 PolarHBondContact O-N 3.02Å; E110-K153 IonicContact OE1-NZ 2.7Å; E110-K153 PolarHBondContact OE1-NZ 3.38Å; E110-K153 VanDerWaalsContact OE1-NZ 3.1Å; E110-K153 IonicContact OE2-NZ 3.71Å; E110-K153 PolarHBondContact OE2-NZ 3.24Å
111L87Confident85.7Confident25 Ų2552.6 Ų52.613%0.13125%0.254CS..Hα-helixtrans-66.6-47.9175.1-171.2141.6000111.3W68 L70 H72 A107 I108 N109 K113 R114 Y115W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.76Å; W68-L111 HydrophobicContact CZ3-CD1 4.31Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.41Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.3Å; H72-L111 VanDerWaalsContact NE2-CD1 3.27Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.49Å; A107-L111 PolarHBondContact O-N 3.44Å; I108-L111 WeakPolarHBondContact O-CB 3.39Å; I108-L111 PolarHBondContact O-N 3.12Å; N109-L111 PolarHBondContact O-N 3.48Å; L111-K113 PolarHBondContact O-N 2.89Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.31Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.16Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å
112M85.8Confident86.1Confident4 Ų449.6 Ų49.62%0.0224%0.238CC..Hα-helixtrans-62.8-27.6177-70.2-59.6-15700112.1V38 L70 L75 W94 I108 N109 R114 Y115 C116V38-M112 HydrophobicContact CG2-CE 3.63Å; L70-M112 HydrophobicContact CD1-CE 3.95Å; L75-M112 HydrophobicContact CD1-CE 3.98Å; L75-M112 HydrophobicContact CD1-SD 3.89Å; W94-M112 HydrophobicContact CB-CE 3.86Å; W94-M112 HydrophobicContact CB-CG 4.25Å; W94-M112 HydrophobicContact CG-CE 4.42Å; W94-M112 HydrophobicContact CG-CG 3.98Å; I108-M112 PolarHBondContact O-N 2.93Å; N109-M112 PolarHBondContact O-N 3.33Å; M112-R114 PolarHBondContact O-N 3.3Å; M112-Y115 PolarHBondContact O-N 3.35Å; M112-C116 PolarHBondContact O-N 3.17Å
113K85.9Confident86.5Confident74 Ų7446.6 Ų46.632%0.32222%0.224SC..Hα-helixtrans-61.8-24.3177.3-155169.3-174.7173.30113.4N109 E110 L111 Y115 C116 P117N109-K113 WeakPolarHBondContact O-CB 3.48Å; N109-K113 PolarHBondContact O-N 3.02Å; E110-K113 WeakPolarHBondContact O-CB 3.5Å; E110-K113 PolarHBondContact O-N 3.02Å; L111-K113 PolarHBondContact O-N 2.89Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 2.97Å; K113-C116 VanDerWaalsContact CA-O 3.28Å; K113-C116 WeakPolarHBondContact CA-O 3.33Å; K113-C116 CarbonylContact O-C 3.6Å; K113-C116 PolarHBondContact O-N 3.17Å; K113-P117 WeakPolarHBondContact CE-O 3.37Å
114R85.6Confident86.8Confident212 Ų21238.2 Ų38.280%0.819%0.188SC*.THydrogen-bonded Turntrans-64.5-34.6173-61.7-178.4-177.7-178.91.9112.4L111 M112L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.31Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.16Å; M112-R114 PolarHBondContact O-N 3.3Å
115Y84.1Confident86.8Confident88 Ų8839.2 Ų39.235%0.34519%0.193SC..THydrogen-bonded Turntrans-85.6-34.3176.7-62.6-82.4000111.5L75 L111 M112 K113L75-Y115 HydrophobicContact CD1-CE2 4.49Å; L75-Y115 HydrophobicContact CD2-CD1 4.14Å; L75-Y115 HydrophobicContact CD2-CE1 3.99Å; L75-Y115 HydrophobicContact CD2-CE2 4.45Å; L75-Y115 HydrophobicContact CD2-CG 4.43Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å; M112-Y115 PolarHBondContact O-N 3.35Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 2.97Å
116C79.9Confident86.3Confident14 Ų1440.4 Ų40.410%0.09520%0.201CC..  trans-140.2113.3-174.7-73.50000112.3I91 M112 K113 N118 S119I91-C116 WeakPolarHBondContact CB-SG 3.42Å; I91-C116 WeakPolarHBondContact CG2-SG 3.28Å; I91-C116 PolarHBondContact O-SG 3.45Å; M112-C116 PolarHBondContact O-N 3.17Å; K113-C116 VanDerWaalsContact CA-O 3.28Å; K113-C116 WeakPolarHBondContact CA-O 3.33Å; K113-C116 CarbonylContact O-C 3.6Å; K113-C116 PolarHBondContact O-N 3.17Å; C116-N118 PolarHBondContact O-N 3.29Å; C116-S119 PolarHBondContact O-N 3.36Å
117P76.4Confident85.8Confident97 Ų9744.4 Ų44.463%0.6322%0.216SC*.THydrogen-bonded Turntrans-61.9-31.6-177.623.8-32.9000113K113K113-P117 WeakPolarHBondContact CE-O 3.37Å
118N81.3Confident84.9Confident73 Ų7348.1 Ų48.139%0.3924%0.236SC..THydrogen-bonded Turntrans-106.447.3179.7-58.6-7.2000111.3W43 C116 V120W43-N118 HydrophobicContact CH2-CB 4.29Å; W43-N118 HydrophobicContact CZ3-CB 4.28Å; C116-N118 PolarHBondContact O-N 3.29Å; N118-V120 PolarHBondContact O-N 3.04Å
119S87Confident83.9Confident5 Ų554.5 Ų54.54%0.03526%0.264CS..PPolyproline II helixtrans-60.8121.4178.41780000111.1N109 C116N109-S119 WeakPolarHBondContact OD1-CB 3.38Å; N109-S119 PolarHBondContact OD1-OG 3.42Å; C116-S119 PolarHBondContact O-N 3.36Å
120V90.9Very high82.4Confident0 Ų062.6 Ų62.60%031%0.307CS..EExtended strand (participates in β ladder)trans-99.5136.1173.2178.60000109.6V6 V9 L48 V92 G93 W94 N118 V122 A137V6-V120 HydrophobicContact CG2-CG2 3.71Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; L48-V120 HydrophobicContact CD2-CB 3.86Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.59Å; V92-V120 PolarHBondContact O-N 3.14Å; G93-V120 CarbonylContact C-O 3.56Å; G93-V120 WeakPolarHBondContact CA-O 3.49Å; W94-V120 PolarHBondContact N-O 2.98Å; N118-V120 PolarHBondContact O-N 3.04Å; V120-V122 HydrophobicContact CG1-CG2 4.11Å; V120-A137 HydrophobicContact CG1-CB 4.4Å
121L92.5Very high81.5Confident0 Ų061.7 Ų61.70%031%0.305CS..EExtended strand (participates in β ladder)trans-94.2124.5169.5167.258.5000109W94 H96 L101 D105 I123 A137 Y138 F155W94-L121 HydrophobicContact CD2-CD1 3.92Å; W94-L121 HydrophobicContact CE3-CD1 3.89Å; W94-L121 HydrophobicContact CH2-CD1 3.78Å; W94-L121 HydrophobicContact CH2-CD2 4.37Å; W94-L121 HydrophobicContact CZ2-CB 4.42Å; W94-L121 HydrophobicContact CZ2-CD1 3.75Å; W94-L121 HydrophobicContact CZ2-CD2 4.15Å; W94-L121 HydrophobicContact CZ2-CG 4.31Å; W94-L121 HydrophobicContact CZ3-CD1 3.85Å; W94-L121 WeakPolarHBondContact O-CA 3.48Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.47Å; L101-L121 HydrophobicContact CD2-CD2 4.08Å; D105-L121 HydrophobicContact CB-CD2 4.36Å; L121-I123 HydrophobicContact CG-CG1 4.39Å; L121-A137 CarbonylContact O-C 3.51Å; L121-A137 WeakPolarHBondContact O-CA 3.31Å; L121-Y138 PolarHBondContact N-O 2.94Å; L121-Y138 PolarHBondContact O-N 2.89Å; L121-F155 HydrophobicContact CB-CE1 4.22Å; L121-F155 HydrophobicContact CD2-CD1 4.41Å; L121-F155 HydrophobicContact CD2-CE1 4.04Å; L121-F155 HydrophobicContact CD2-CE2 4.37Å; L121-F155 HydrophobicContact CD2-CZ 4.02Å
122V92Very high80.7Confident1 Ų163.7 Ų63.71%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-113.6119.3170.9-173.20000109.9V9 V11 L39 W94 Y95 H96 V120 I124 E136 A137V9-V122 HydrophobicContact CG1-CG2 4.34Å; V11-V122 HydrophobicContact CG2-CG1 4.32Å; L39-V122 HydrophobicContact CD1-CB 3.82Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å; W94-V122 PolarHBondContact O-N 3.41Å; Y95-V122 WeakPolarHBondContact CA-O 3.46Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.49Å; H96-V122 PolarHBondContact N-O 2.99Å; V120-V122 HydrophobicContact CG1-CG2 4.11Å; V122-I124 HydrophobicContact CG1-CD1 4.46Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.3Å; V122-A137 HydrophobicContact CG2-CB 4.47Å
123I91.6Very high80.5Confident7 Ų768.1 Ų68.14%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-88122.9172.3-52.6-173.2000107.6G98 L101 L121 T135 E136 Y138G98-I123 WeakPolarHBondContact O-CG2 3.36Å; L101-I123 HydrophobicContact CD1-CD1 3.46Å; L101-I123 VanDerWaalsContact CD1-CD1 3.46Å; L101-I123 HydrophobicContact CG-CD1 3.63Å; L121-I123 HydrophobicContact CG-CG1 4.39Å; I123-T135 WeakPolarHBondContact O-CA 3.47Å; I123-E136 HydrophobicContact CB-CB 4.38Å; I123-E136 PolarHBondContact N-O 2.77Å; I123-E136 PolarHBondContact O-N 2.95Å; I123-Y138 HydrophobicContact CB-CE2 4.47Å; I123-Y138 HydrophobicContact CD1-CD2 3.82Å; I123-Y138 HydrophobicContact CD1-CE2 3.41Å; I123-Y138 VanDerWaalsContact CD1-CE2 3.41Å; I123-Y138 HydrophobicContact CG1-CD2 3.91Å; I123-Y138 HydrophobicContact CG1-CE2 3.81Å
124I89.6Confident80.4Confident3 Ų367 Ų672%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-115.4117.6178.1-57.7174.5000107.5V15 L16 V19 Y95 H96 V122 V126 P134 T135V15-I124 HydrophobicContact CG1-CD1 4.29Å; L16-I124 HydrophobicContact CD2-CD1 4.14Å; L16-I124 HydrophobicContact CD2-CG1 4.38Å; L16-I124 HydrophobicContact CD2-CG2 3.93Å; V19-I124 HydrophobicContact CB-CD1 4.23Å; V19-I124 HydrophobicContact CB-CG2 4.44Å; V19-I124 HydrophobicContact CG1-CB 4.13Å; V19-I124 HydrophobicContact CG1-CD1 4.23Å; V19-I124 HydrophobicContact CG1-CG2 3.97Å; V19-I124 HydrophobicContact CG2-CD1 3.5Å; Y95-I124 HydrophobicContact CD2-CD1 4.38Å; Y95-I124 HydrophobicContact CG-CD1 4.33Å; H96-I124 PolarHBondContact O-N 3.01Å; V122-I124 HydrophobicContact CG1-CD1 4.46Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; I124-V126 PolarHBondContact O-N 3.35Å; I124-P134 WeakPolarHBondContact CA-O 3.33Å; I124-T135 HydrophobicContact CG1-CG2 4.42Å
125D85.9Confident80.5Confident30 Ų3057.2 Ų57.216%0.1632%0.319CS..  trans-78.1120.9174.7-157.8-18.2000109.8K127 K129 P134D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 PolarHBondContact OD1-N 2.97Å; D125-K129 WeakPolarHBondContact OD2-CE 3.43Å; D125-K129 IonicContact OD2-NZ 2.72Å; D125-K129 PolarHBondContact OD2-NZ 3Å; D125-P134 HydrophobicContact CB-CB 4.47Å; D125-P134 PolarHBondContact N-O 3.27Å
126V77Confident80.7Confident26 Ų2656.7 Ų56.716%0.15832%0.32CS..SBendtrans-81.1-20.5178.6-171.10000111.1V20 F23 T97 I124V20-V126 HydrophobicContact CG2-CG1 4.47Å; F23-V126 HydrophobicContact CB-CG1 3.94Å; F23-V126 HydrophobicContact CB-CG2 4.16Å; F23-V126 HydrophobicContact CD1-CB 4.29Å; F23-V126 HydrophobicContact CD1-CG1 3.43Å; F23-V126 VanDerWaalsContact CD1-CG1 3.43Å; F23-V126 HydrophobicContact CD2-CB 4.49Å; F23-V126 HydrophobicContact CD2-CG1 4.36Å; F23-V126 HydrophobicContact CD2-CG2 4.02Å; F23-V126 HydrophobicContact CE1-CG1 3.95Å; F23-V126 HydrophobicContact CG-CB 4.25Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.99Å; T97-V126 VanDerWaalsContact CB-CG2 3.5Å; T97-V126 HydrophobicContact CG2-CG2 3.46Å; T97-V126 VanDerWaalsContact CG2-CG2 3.46Å; I124-V126 PolarHBondContact O-N 3.35Å
127K78.6Confident81.2Confident143 Ų14356 Ų5662%0.62232%0.315SS*.SBendtrans-93.6116175.9-66.9-178.2-177.61770107.9D125 K129D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 PolarHBondContact OD1-N 2.97Å; K127-K129 PolarHBondContact O-N 3.32Å
128P67.5Low81.9Confident123 Ų12352.9 Ų52.980%0.79929%0.291SS*.PPolyproline II helixtrans-62.3118.2178.925.4-32000108.8
129K68.7Low82.3Confident133 Ų13350.2 Ų50.258%0.57828%0.277SS*.PPolyproline II helixtrans-83.2144.3165.7-70.7171.4176.4138.80108.2D125 K127 L131D125-K129 WeakPolarHBondContact OD2-CE 3.43Å; D125-K129 IonicContact OD2-NZ 2.72Å; D125-K129 PolarHBondContact OD2-NZ 3Å; K127-K129 PolarHBondContact O-N 3.32Å; K129-L131 PolarHBondContact O-N 3.44Å
130D55.5Low82.2Confident172 Ų17250.8 Ų50.892%0.9228%0.281SS*.SBendtrans-61-17.9-177-70.7-33.4000114
131L68.1Low81.9Confident65 Ų6552.3 Ų52.334%0.3429%0.29SS..SBendtrans-150.1130.3-173.8-143.686.4000112.4K129 H196 K199 G200K129-L131 PolarHBondContact O-N 3.44Å; L131-H196 HydrophobicContact CD1-CB 4.46Å; L131-H196 WeakPolarHBondContact CD1-CD2 3.42Å; L131-K199 HydrophobicContact CD1-CB 4.38Å; L131-K199 HydrophobicContact CD1-CD 4.44Å; L131-K199 HydrophobicContact CD2-CB 3.55Å; L131-G200 VanDerWaalsContact CD2-CA 3.49Å
132G72Confident81.3Confident68 Ų6858.1 Ų58.170%0.70132%0.317SS*.SBendtrans114.5171.4175.300000113.4
133L80.8Confident80.3Confident97 Ų9761.6 Ų61.651%0.50833%0.333SS..  trans-78.1130.8170.5-67.9163.7000107.8T135 S160 I162L133-T135 PolarHBondContact O-N 2.86Å; L133-T135 VanDerWaalsContact O-N 3.14Å; L133-S160 WeakPolarHBondContact CD1-O 3.1Å; L133-I162 HydrophobicContact CD2-CD1 3.69Å; L133-I162 HydrophobicContact CD2-CG1 3.97Å
134P84.2Confident79.4Confident51 Ų5166.8 Ų66.833%0.33137%0.365SS..SBendtrans-75.27.717732.6-36.6000113.1I124 D125I124-P134 WeakPolarHBondContact CA-O 3.33Å; D125-P134 HydrophobicContact CB-CB 4.47Å; D125-P134 PolarHBondContact N-O 3.27Å
135T86.8Confident78.3Confident5 Ų569.5 Ų69.53%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-117.5120.6-176.2520000111.2V11 L16 I123 I124 L133 S160V11-T135 HydrophobicContact CB-CG2 4.42Å; V11-T135 HydrophobicContact CG1-CG2 4.41Å; V11-T135 HydrophobicContact CG2-CG2 4.43Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; I123-T135 WeakPolarHBondContact O-CA 3.47Å; I124-T135 HydrophobicContact CG1-CG2 4.42Å; L133-T135 PolarHBondContact O-N 2.86Å; L133-T135 VanDerWaalsContact O-N 3.14Å; T135-S160 WeakPolarHBondContact CB-OG 3.48Å; T135-S160 WeakPolarHBondContact O-CB 3.44Å; T135-S160 PolarHBondContact O-OG 3.4Å; T135-S160 PolarHBondContact OG1-OG 3.27Å
136E88.9Confident77.4Confident77 Ų7776.5 Ų76.536%0.3642%0.415SS..EExtended strand (participates in β ladder)trans-117.8127.7171.7-62.8177.9179.400108.7V122 I123 Y138V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.3Å; I123-E136 HydrophobicContact CB-CB 4.38Å; I123-E136 PolarHBondContact N-O 2.77Å; I123-E136 PolarHBondContact O-N 2.95Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.52Å; E136-Y138 PolarHBondContact OE2-OH 3.31Å
137A91.1Very high76.7Confident0 Ų080.9 Ų80.90%044%0.437CS..EExtended strand (participates in β ladder)trans-107.3137.6-179.900000110.2V9 V120 L121 V122 H157 V158V9-A137 HydrophobicContact CB-CB 3.9Å; V9-A137 HydrophobicContact CG1-CB 4.32Å; V9-A137 HydrophobicContact CG2-CB 3.74Å; V120-A137 HydrophobicContact CG1-CB 4.4Å; L121-A137 CarbonylContact O-C 3.51Å; L121-A137 WeakPolarHBondContact O-CA 3.31Å; V122-A137 HydrophobicContact CG2-CB 4.47Å; A137-H157 WeakPolarHBondContact O-CA 3.47Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 3.05Å
138Y90.9Very high76Confident32 Ų3277.5 Ų77.513%0.12544%0.443CS..EExtended strand (participates in β ladder)trans-132.5141.5-178-63.9-84.4000110.6L101 L121 I123 E136 F155 E156 H157L101-Y138 HydrophobicContact CD1-CD2 4.29Å; L101-Y138 HydrophobicContact CD1-CE1 4.07Å; L101-Y138 HydrophobicContact CD1-CE2 3.86Å; L121-Y138 PolarHBondContact N-O 2.94Å; L121-Y138 PolarHBondContact O-N 2.89Å; I123-Y138 HydrophobicContact CB-CE2 4.47Å; I123-Y138 HydrophobicContact CD1-CD2 3.82Å; I123-Y138 HydrophobicContact CD1-CE2 3.41Å; I123-Y138 VanDerWaalsContact CD1-CE2 3.41Å; I123-Y138 HydrophobicContact CG1-CD2 3.91Å; I123-Y138 HydrophobicContact CG1-CE2 3.81Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.52Å; E136-Y138 PolarHBondContact OE2-OH 3.31Å; Y138-F155 HydrophobicContact CD1-CB 4.12Å; Y138-F155 HydrophobicContact CG-CB 4.37Å; Y138-E156 CarbonylContact C-O 3.6Å; Y138-E156 VanDerWaalsContact CA-O 3.29Å; Y138-E156 WeakPolarHBondContact CA-O 3.45Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å
139I88.4Confident76.2Confident17 Ų1774.6 Ų74.69%0.08742%0.423CS..EExtended strand (participates in β ladder)trans-116.1140.2172.2-168.3166.4000109.2L4 V6 V141 F155 E156 V158L4-I139 HydrophobicContact CD2-CG2 3.97Å; V6-I139 HydrophobicContact CG2-CD1 4.16Å; I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.08Å; I139-F155 CarbonylContact O-C 3.6Å; I139-F155 WeakPolarHBondContact O-CA 3.29Å; I139-E156 HydrophobicContact CG2-CB 4.14Å; I139-E156 PolarHBondContact N-O 3.5Å; I139-E156 PolarHBondContact O-N 3.29Å; I139-V158 HydrophobicContact CB-CG2 3.97Å; I139-V158 HydrophobicContact CG2-CG2 3.6Å
140S85.6Confident76.5Confident17 Ų1773.9 Ų73.912%0.11943%0.432CS..EExtended strand (participates in β ladder)trans-82.4117.5175.4179.80000110N109 T154N109-S140 WeakPolarHBondContact ND2-CB 3.46Å; S140-T154 WeakPolarHBondContact CA-O 3.24Å
141V83.5Confident77.4Confident31 Ų3169.5 Ų69.519%0.18841%0.412CS..EExtended strand (participates in β ladder)trans-118.9145.5176.5-70.90000109.7I139 E143 K153 T154 E156I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.08Å; V141-E143 HydrophobicContact CG2-CG 3.97Å; V141-E143 PolarHBondContact O-N 2.93Å; V141-K153 CarbonylContact O-C 3.58Å; V141-K153 WeakPolarHBondContact O-CA 3.43Å; V141-T154 PolarHBondContact N-O 2.87Å; V141-T154 PolarHBondContact O-N 3.17Å; V141-E156 HydrophobicContact CG2-CB 3.74Å
142E80.6Confident77.7Confident122 Ų12268.4 Ų68.457%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-90.799.8171.2-75.1176-16600107.5T151 K153E142-T151 HydrophobicContact CB-CG2 4.06Å; E142-K153 HydrophobicContact CG-CD 4.38Å; E142-K153 HydrophobicContact CG-CG 3.5Å; E142-K153 VanDerWaalsContact CG-CG 3.5Å; E142-K153 WeakPolarHBondContact OE1-CE 3.47Å; E142-K153 IonicContact OE1-NZ 3.95Å
143E70.9Confident78.2Confident75 Ų7568 Ų6835%0.3539%0.388SS..EExtended strand (participates in β ladder)trans-90.9128.8176.2-72179.8151.700109.6V141 S152 T154V141-E143 HydrophobicContact CG2-CG 3.97Å; V141-E143 PolarHBondContact O-N 2.93Å; E143-S152 PolarHBondContact N-O 3.27Å; E143-S152 PolarHBondContact O-N 3.44Å; E143-T154 VanDerWaalsContact CD-OG1 3.23Å; E143-T154 WeakPolarHBondContact CG-OG1 3.09Å; E143-T154 PolarHBondContact OE2-OG1 3.4Å
144V72.9Confident78.3Confident115 Ų11565.2 Ų65.270%0.69738%0.375SS*.  trans-88.5111.9166.5-176.30000106.2T151V144-T151 HydrophobicContact CG2-CG2 4.1Å
145H67.3Low78.5Confident61 Ų6165 Ų6528%0.28237%0.369SS..  trans-71.6136.2175.8-68.4-68000110D147 G148 T149 S152H145-D147 PolarHBondContact O-N 2.98Å; H145-G148 PolarHBondContact O-N 3.34Å; H145-T149 VanDerWaalsContact CB-OG1 3.24Å; H145-T149 WeakPolarHBondContact CB-OG1 3.09Å; H145-T149 PolarHBondContact CD2-OG1 3.18Å; H145-S152 PolarHBondContact CD2-OG 2.98Å; H145-S152 PolarHBondContact NE2-OG 3.38Å
146D65.1Low78.4Confident177 Ų17768.4 Ų68.495%0.94739%0.385SS*.THydrogen-bonded Turntrans-69.4-11.4175.2-151.818.2000112.3G148D146-G148 PolarHBondContact O-N 2.97Å
147D62.9Low78.3Confident117 Ų11769.7 Ų69.763%0.62639%0.391SS*.THydrogen-bonded Turntrans-79.77.9177.9-161.533.6000113.5H145 T149H145-D147 PolarHBondContact O-N 2.98Å; D147-T149 PolarHBondContact O-N 2.82Å
148G63.8Low78.3Confident73 Ų7370.1 Ų70.175%0.75339%0.393SS*.SBendtrans70.59.1178.400000115H145 D146H145-G148 PolarHBondContact O-N 3.34Å; D146-G148 PolarHBondContact O-N 2.97Å
149T72.9Confident78.2Confident62 Ų6272.5 Ų72.538%0.3841%0.411SS..  trans-72.3150.4171.956.60000110.6H145 D147H145-T149 VanDerWaalsContact CB-OG1 3.24Å; H145-T149 WeakPolarHBondContact CB-OG1 3.09Å; H145-T149 PolarHBondContact CD2-OG1 3.18Å; D147-T149 PolarHBondContact O-N 2.82Å
150P74.5Confident78.2Confident117 Ų11772.5 Ų72.576%0.7641%0.413SS*.  trans-56148.3178.4-22.732.5000111.6S152P150-S152 PolarHBondContact O-N 2.87Å
151T73.8Confident78.5Confident81 Ų8175.1 Ų75.150%0.49742%0.423SS..  trans-50.1115.4176-44.20000110E142 V144E142-T151 HydrophobicContact CB-CG2 4.06Å; V144-T151 HydrophobicContact CG2-CG2 4.1Å
152S75.3Confident78.8Confident41 Ų4176.8 Ų76.829%0.28743%0.431SS..EExtended strand (participates in β ladder)trans-107.3133.1177.368.10000108.6E143 H145 P150 T154E143-S152 PolarHBondContact N-O 3.27Å; E143-S152 PolarHBondContact O-N 3.44Å; H145-S152 PolarHBondContact CD2-OG 2.98Å; H145-S152 PolarHBondContact NE2-OG 3.38Å; P150-S152 PolarHBondContact O-N 2.87Å; S152-T154 PolarHBondContact O-N 3.09Å
153K81.4Confident79.2Confident60 Ų6071.9 Ų71.926%0.26141%0.412SS..EExtended strand (participates in β ladder)trans-68.6123.6165.8-76.7173.4179.6179.30107.6I106 E110 V141 E142I106-K153 HydrophobicContact CD1-CB 3.36Å; I106-K153 WeakPolarHBondContact CD1-O 3.47Å; I106-K153 HydrophobicContact CG1-CB 3.97Å; E110-K153 IonicContact OE1-NZ 2.7Å; E110-K153 PolarHBondContact OE1-NZ 3.38Å; E110-K153 VanDerWaalsContact OE1-NZ 3.1Å; E110-K153 IonicContact OE2-NZ 3.71Å; E110-K153 PolarHBondContact OE2-NZ 3.24Å; V141-K153 CarbonylContact O-C 3.58Å; V141-K153 WeakPolarHBondContact O-CA 3.43Å; E142-K153 HydrophobicContact CG-CD 4.38Å; E142-K153 HydrophobicContact CG-CG 3.5Å; E142-K153 VanDerWaalsContact CG-CG 3.5Å; E142-K153 WeakPolarHBondContact OE1-CE 3.47Å; E142-K153 IonicContact OE1-NZ 3.95Å
154T83.5Confident80Confident38 Ų3870.9 Ų70.923%0.23342%0.417CS..EExtended strand (participates in β ladder)trans-122.1162.1176.1500000109.3S140 V141 E143 S152S140-T154 WeakPolarHBondContact CA-O 3.24Å; V141-T154 PolarHBondContact N-O 2.87Å; V141-T154 PolarHBondContact O-N 3.17Å; E143-T154 VanDerWaalsContact CD-OG1 3.23Å; E143-T154 WeakPolarHBondContact CG-OG1 3.09Å; E143-T154 PolarHBondContact OE2-OG1 3.4Å; S152-T154 PolarHBondContact O-N 3.09Å
155F87.4Confident80.7Confident46 Ų4671 Ų7120%0.20241%0.41CS..EExtended strand (participates in β ladder)trans-99.7118.4173.1-78.2-67.8000108.7L101 D105 N109 L121 Y138 I139L101-F155 HydrophobicContact CD2-CB 3.93Å; L101-F155 HydrophobicContact CD2-CD2 3.32Å; L101-F155 HydrophobicContact CD2-CE2 3.96Å; L101-F155 HydrophobicContact CD2-CG 3.76Å; D105-F155 HydrophobicContact CB-CE2 3.83Å; D105-F155 HydrophobicContact CB-CZ 4.18Å; N109-F155 HydrophobicContact CB-CE1 4.34Å; N109-F155 HydrophobicContact CB-CZ 4Å; L121-F155 HydrophobicContact CB-CE1 4.22Å; L121-F155 HydrophobicContact CD2-CD1 4.41Å; L121-F155 HydrophobicContact CD2-CE1 4.04Å; L121-F155 HydrophobicContact CD2-CE2 4.37Å; L121-F155 HydrophobicContact CD2-CZ 4.02Å; Y138-F155 HydrophobicContact CD1-CB 4.12Å; Y138-F155 HydrophobicContact CG-CB 4.37Å; I139-F155 CarbonylContact O-C 3.6Å; I139-F155 WeakPolarHBondContact O-CA 3.29Å
156E85.8Confident81.7Confident78 Ų7875.9 Ų75.936%0.36443%0.433SS..EExtended strand (participates in β ladder)trans-95.3134.6172.7-172.5179-176.100109.1Y138 I139 V141Y138-E156 CarbonylContact C-O 3.6Å; Y138-E156 VanDerWaalsContact CA-O 3.29Å; Y138-E156 WeakPolarHBondContact CA-O 3.45Å; I139-E156 HydrophobicContact CG2-CB 4.14Å; I139-E156 PolarHBondContact N-O 3.5Å; I139-E156 PolarHBondContact O-N 3.29Å; V141-E156 HydrophobicContact CG2-CB 3.74Å
157H87.6Confident82.8Confident103 Ų10371.3 Ų71.348%0.47742%0.42SS..EExtended strand (participates in β ladder)trans-75.9126.6180174.9-85.6000110.9A137 Y138A137-H157 WeakPolarHBondContact O-CA 3.47Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å
158V89.6Confident84Confident9 Ų967.3 Ų67.36%0.05540%0.397CS..EExtended strand (participates in β ladder)trans-104.2143.8174.6-178.20000109.2V6 Q7 V9 A137 I139 S160V6-V158 HydrophobicContact CG1-CG1 4.18Å; Q7-V158 WeakPolarHBondContact O-CG1 3.4Å; V9-V158 HydrophobicContact CG2-CG1 4.22Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 3.05Å; I139-V158 HydrophobicContact CB-CG2 3.97Å; I139-V158 HydrophobicContact CG2-CG2 3.6Å; V158-S160 PolarHBondContact O-N 3.31Å
159T89.4Confident85Confident82 Ų8269.5 Ų69.550%0.50339%0.388SS..EExtended strand (participates in β ladder)trans-61.6124.2179.3570000111.3Q7 K8 V9Q7-T159 PolarHBondContact O-OG1 3.19Å; Q7-T159 VanDerWaalsContact O-OG1 3.08Å; K8-T159 WeakPolarHBondContact CA-O 3.16Å; V9-T159 PolarHBondContact N-O 3.02Å
160S89.4Confident85.7Confident18 Ų1871 Ų7113%0.12640%0.397CS..EExtended strand (participates in β ladder)trans-107.8140.1178.4174.60000110.2V9 L133 T135 V158V9-S160 WeakPolarHBondContact O-CA 3.43Å; L133-S160 WeakPolarHBondContact CD1-O 3.1Å; T135-S160 WeakPolarHBondContact CB-OG 3.48Å; T135-S160 WeakPolarHBondContact O-CB 3.44Å; T135-S160 PolarHBondContact O-OG 3.4Å; T135-S160 PolarHBondContact OG1-OG 3.27Å; V158-S160 PolarHBondContact O-N 3.31Å
161E90.9Very high86.4Confident72 Ų7267.1 Ų67.134%0.33638%0.378SS..EExtended strand (participates in β ladder)trans-137.4162.6165.874.1179.6173.700111.2K8 V9 V10 V11K8-E161 WeakPolarHBondContact CE-OE1 3.28Å; K8-E161 WeakPolarHBondContact CE-OE2 3.44Å; K8-E161 IonicContact NZ-OE1 2.6Å; K8-E161 PolarHBondContact NZ-OE1 3.29Å; K8-E161 IonicContact NZ-OE2 2.64Å; K8-E161 PolarHBondContact NZ-OE2 3.45Å; V9-E161 PolarHBondContact O-N 3.47Å; V10-E161 WeakPolarHBondContact CA-O 3.48Å; V10-E161 HydrophobicContact CB-CG 4.48Å; V10-E161 HydrophobicContact CG1-CG 4.41Å; V10-E161 HydrophobicContact CG2-CG 3.94Å; V11-E161 PolarHBondContact N-O 2.96Å
162I90.4Very high87Confident66 Ų6665.6 Ų65.634%0.33837%0.368SS..EExtended strand (participates in β ladder)trans-99.3115.3172.5-59.4167.4000107.1V11 P13 L16 L133V11-I162 VanDerWaalsContact O-CA 3.3Å; V11-I162 WeakPolarHBondContact O-CA 3.35Å; V11-I162 WeakPolarHBondContact O-CG2 3.49Å; P13-I162 HydrophobicContact CG-CG2 4Å; L16-I162 HydrophobicContact CD1-CD1 3.87Å; L16-I162 HydrophobicContact CD1-CG1 4.28Å; L133-I162 HydrophobicContact CD2-CD1 3.69Å; L133-I162 HydrophobicContact CD2-CG1 3.97Å
163G88.9Confident87.5Confident18 Ų1869.5 Ų69.519%0.18638%0.382CS..  trans-108.7157.9173.200000110V11 H12 P13V11-G163 PolarHBondContact O-N 3.01Å; H12-G163 WeakPolarHBondContact CA-O 3.02Å; P13-G163 WeakPolarHBondContact CD-O 3.44Å
164A87Confident87.8Confident54 Ų5473.2 Ų73.245%0.44640%0.4SS..  trans-129.9145176.100000109.9P13 E169P13-A164 HydrophobicContact CG-CB 4.42Å; A164-E169 HydrophobicContact CB-CB 4.39Å
165E87.9Confident87.9Confident119 Ų11977.5 Ų77.556%0.55642%0.421SS*.  trans-81.6155.4165.6-170.7168.2-175.400109.9A167 E168 E169E165-A167 PolarHBondContact O-N 3.47Å; E165-A167 VanDerWaalsContact O-N 3.16Å; E165-E168 CarbonylContact O-C 3.6Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.4Å; E165-E169 PolarHBondContact O-N 3.41Å
166E87.4Confident87.8Confident162 Ų16277.7 Ų77.776%0.75742%0.424SS*.Hα-helixtrans-52.9-41-176.4-174.3178-179.300112.7E169 V170E166-E169 PolarHBondContact O-N 3.3Å; E166-V170 WeakPolarHBondContact O-CG2 3.42Å; E166-V170 PolarHBondContact O-N 3.49Å
167A89.4Confident87.5Confident81 Ų8183.1 Ų83.167%0.66944%0.441SS*.Hα-helixtrans-66.9-37.7176.900000112.7E165 G171E165-A167 PolarHBondContact O-N 3.47Å; E165-A167 VanDerWaalsContact O-N 3.16Å; A167-G171 PolarHBondContact O-N 2.85Å
168E87.5Confident86.8Confident33 Ų3385.8 Ų85.815%0.15446%0.459CS..Hα-helixtrans-71.7-38.1176.5-70-172.9-152.400111.5H12 P13 L14 E165 V170 G171 V172H12-E168 IonicContact CG-OE1 3.47Å; H12-E168 IonicContact CG-OE2 2.95Å; H12-E168 IonicContact ND1-OE1 3.56Å; H12-E168 PolarHBondContact ND1-OE1 3.49Å; H12-E168 IonicContact ND1-OE2 3.1Å; P13-E168 WeakPolarHBondContact CD-OE2 3.42Å; L14-E168 PolarHBondContact N-OE2 3.47Å; E165-E168 CarbonylContact O-C 3.6Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.4Å; E168-V170 VanDerWaalsContact C-N 3.35Å; E168-V170 PolarHBondContact O-N 3Å; E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.12Å; E168-V172 WeakPolarHBondContact O-CB 3.47Å; E168-V172 WeakPolarHBondContact O-CG2 3.46Å; E168-V172 PolarHBondContact O-N 3.35Å
169E85.1Confident86.1Confident119 Ų11991.7 Ų91.756%0.55649%0.488SS*.Hα-helixtrans-58.5-46.9179.7-174.9170.6-16800111.1A164 E165 E166 G171 V172 E173A164-E169 HydrophobicContact CB-CB 4.39Å; E165-E169 PolarHBondContact O-N 3.41Å; E166-E169 PolarHBondContact O-N 3.3Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 2.98Å; E169-V172 PolarHBondContact O-N 3.34Å; E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 3.35Å
170V88.8Confident84.9Confident94 Ų9493.7 Ų93.757%0.5749%0.49SS*.Hα-helixtrans-61.9-40.4176177.60000111.4E166 E168 H174E166-V170 WeakPolarHBondContact O-CG2 3.42Å; E166-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact C-N 3.35Å; E168-V170 PolarHBondContact O-N 3Å; V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 3.48Å
171G87.8Confident83.4Confident35 Ų3598.6 Ų98.636%0.36152%0.515SS..Hα-helixtrans-65.2-46.7177.800000112.7A167 E168 E169 H174 L175A167-G171 PolarHBondContact O-N 2.85Å; E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.12Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 2.98Å; G171-H174 PolarHBondContact O-N 3.32Å; G171-L175 WeakPolarHBondContact O-CG 3.3Å; G171-L175 PolarHBondContact O-N 2.94Å; G171-L175 VanDerWaalsContact O-N 3.1Å
172V87.8Confident82Confident49 Ų49101.4 Ų101.430%0.29754%0.537SS..Hα-helixtrans-66.9-41.2178.31730000110.9P13 E168 E169 H174 L175 L176P13-V172 HydrophobicContact CB-CG2 4.01Å; P13-V172 HydrophobicContact CG-CG2 4.33Å; E168-V172 WeakPolarHBondContact O-CB 3.47Å; E168-V172 WeakPolarHBondContact O-CG2 3.46Å; E168-V172 PolarHBondContact O-N 3.35Å; E169-V172 PolarHBondContact O-N 3.34Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.39Å; V172-L175 PolarHBondContact O-N 2.97Å; V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 2.79Å
173E85.1Confident80.6Confident124 Ų124104.1 Ų104.158%0.57956%0.557SS**Hα-helixtrans-59.8-43.4175.4-174.3178.8-164.300111.3E169 L175 L176 R177E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 3.35Å; E173-L175 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 3.1Å; E173-R177 PolarHBondContact O-N 3.15Å
174H87.2Confident79.4Confident138 Ų138106.5 Ų106.564%0.63957%0.568SS**Hα-helixtrans-61.3-44.1177-170.772.9000112.4V170 G171 V172 L176 R177V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 3.48Å; G171-H174 PolarHBondContact O-N 3.32Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.39Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.42Å; H174-R177 WeakPolarHBondContact O-CB 3.39Å; H174-R177 PolarHBondContact O-N 2.89Å
175L86Confident79Confident127 Ų127105.9 Ų105.967%0.66557%0.567SS**Hα-helixtrans-67-28.9178.3-68.2172.2000113G171 V172 E173G171-L175 WeakPolarHBondContact O-CG 3.3Å; G171-L175 PolarHBondContact O-N 2.94Å; G171-L175 VanDerWaalsContact O-N 3.1Å; V172-L175 PolarHBondContact O-N 2.97Å; E173-L175 PolarHBondContact O-N 3.32Å
176L84.8Confident78.7Confident50 Ų50105.5 Ų105.526%0.26257%0.573SS.*THydrogen-bonded Turntrans-934.4-177.7-67.7178.5000113.9V172 E173 H174 D178 I179 K180V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 2.79Å; E173-L176 PolarHBondContact O-N 3.1Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.42Å; L176-D178 PolarHBondContact O-N 2.9Å; L176-D178 VanDerWaalsContact O-N 3.14Å; L176-I179 HydrophobicContact CD2-CB 4.47Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 PolarHBondContact O-N 3.21Å; L176-K180 HydrophobicContact CB-CD 4.22Å; L176-K180 HydrophobicContact CB-CG 4.24Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 PolarHBondContact O-N 3.45Å
177R80.3Confident78.6Confident193 Ų193103.6 Ų103.673%0.72857%0.567SS**THydrogen-bonded Turntrans-57.8-29.7-178.8-169.3176.5-178.5-173.50.7113.3E173 H174E173-R177 PolarHBondContact O-N 3.15Å; H174-R177 WeakPolarHBondContact O-CB 3.39Å; H174-R177 PolarHBondContact O-N 2.89Å
178D73.2Confident78.3Confident159 Ų159102.6 Ų102.685%0.8556%0.555SS**THydrogen-bonded Turntrans-86-13.7-179.7-63.7-20.7000113.4L176L176-D178 PolarHBondContact O-N 2.9Å; L176-D178 VanDerWaalsContact O-N 3.14Å
179I73.8Confident78.2Confident132 Ų132106.5 Ų106.568%0.67757%0.573SS**THydrogen-bonded Turntrans-111.8-37-173.7-59.8174.9000111.5L176 D181L176-I179 HydrophobicContact CD2-CB 4.47Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 PolarHBondContact O-N 3.21Å; I179-D181 PolarHBondContact O-N 3.34Å
180K64.1Low78.3Confident125 Ų125109.4 Ų109.454%0.54358%0.579SS.*  trans-80.2108.3177.9-83.4-176.5175.4178.80109.5L176 T182L176-K180 HydrophobicContact CB-CD 4.22Å; L176-K180 HydrophobicContact CB-CG 4.24Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 PolarHBondContact O-N 3.45Å; K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.1Å; K180-T182 PolarHBondContact O-OG1 3.07Å
181D58.3Low78.3Confident120 Ų120109 Ų10964%0.64257%0.573SS**  trans-66.687.7161.5-81.3-40.6000109.5I179 T183 V184I179-D181 PolarHBondContact O-N 3.34Å; D181-T183 PolarHBondContact O-N 2.97Å; D181-V184 HydrophobicContact CB-CG2 3.75Å; D181-V184 WeakPolarHBondContact O-CG2 3.47Å; D181-V184 PolarHBondContact O-N 2.9Å; D181-V184 VanDerWaalsContact O-N 3.14Å
182T61.7Low78.3Confident132 Ų132110.3 Ų110.381%0.8157%0.574SS**THydrogen-bonded Turntrans-61.6-5.7172.2-26.40000112.5K180K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.1Å; K180-T182 PolarHBondContact O-OG1 3.07Å
183T61.2Low78.2Confident123 Ų123112.6 Ų112.676%0.75559%0.585SS**THydrogen-bonded Turntrans-84.7-10.3178.558.10000113.1D181 G185D181-T183 PolarHBondContact O-N 2.97Å; T183-G185 PolarHBondContact O-N 3.1Å; T183-G185 VanDerWaalsContact O-N 3.1Å
184V64.3Low78.5Confident68 Ų68113.4 Ų113.441%0.41259%0.588SS.*SBendtrans-71107.7177.9-178.30000109.2D181 Q189D181-V184 HydrophobicContact CB-CG2 3.75Å; D181-V184 WeakPolarHBondContact O-CG2 3.47Å; D181-V184 PolarHBondContact O-N 2.9Å; D181-V184 VanDerWaalsContact O-N 3.14Å; V184-Q189 HydrophobicContact CG1-CB 4.47Å
185G77.1Confident78.6Confident41 Ų41110.1 Ų110.142%0.42358%0.578SS.*  trans-56.6155.2176.700000112.7T183 L187 S188 Q189T183-G185 PolarHBondContact O-N 3.1Å; T183-G185 VanDerWaalsContact O-N 3.1Å; G185-L187 PolarHBondContact O-N 2.73Å; G185-S188 PolarHBondContact O-N 3.14Å; G185-Q189 PolarHBondContact O-N 3.24Å; G185-Q189 VanDerWaalsContact O-N 3.14Å
186T82.9Confident78.7Confident110 Ų110108.2 Ų108.268%0.67557%0.565SS**Hα-helixtrans-53.7-30.7-177.5560000113.9R190T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 2.96Å
187L83.4Confident78.9Confident122 Ų122108 Ų10864%0.63958%0.575SS**Hα-helixtrans-67.3-49.7175.2178.161.5000111.9G185 Q189 R190 I191G185-L187 PolarHBondContact O-N 2.73Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 3.06Å; L187-R190 PolarHBondContact O-N 3.13Å; L187-R190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CD1-CD1 4.08Å; L187-I191 HydrophobicContact CD1-CG1 4.36Å; L187-I191 HydrophobicContact CG-CD1 3.99Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 3.36Å
188S84.4Confident79.4Confident61 Ų61104.5 Ų104.543%0.42757%0.571SS.*Hα-helixtrans-61.5-41.3-179.7-61.50000110.7G185 R190 I191 T192G185-S188 PolarHBondContact O-N 3.14Å; S188-R190 PolarHBondContact O-N 3.31Å; S188-I191 PolarHBondContact O-N 2.86Å; S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.36Å; S188-T192 PolarHBondContact O-OG1 2.98Å
189Q84.5Confident80.2Confident114 Ų114102.8 Ų102.853%0.53356%0.555SS.*Hα-helixtrans-61.5-42.4174.9-166.9-178.21200112.3V184 G185 L187 T192 N193V184-Q189 HydrophobicContact CG1-CB 4.47Å; G185-Q189 PolarHBondContact O-N 3.24Å; G185-Q189 VanDerWaalsContact O-N 3.14Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 3.06Å; Q189-T192 PolarHBondContact O-N 2.88Å; Q189-N193 PolarHBondContact O-N 2.94Å; Q189-N193 PolarHBondContact O-OD1 3.28Å
190R86.8Confident80.9Confident181 Ų18197.5 Ų97.568%0.68353%0.534SS*.Hα-helixtrans-64-42176.5-75.1176.4-177.8-148.71.2112.5T186 L187 S188 N193 Q194T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 2.96Å; L187-R190 PolarHBondContact O-N 3.13Å; L187-R190 VanDerWaalsContact O-N 3.17Å; S188-R190 PolarHBondContact O-N 3.31Å; R190-N193 PolarHBondContact O-N 3.26Å; R190-Q194 PolarHBondContact O-N 3.43Å
191I89.7Confident82.2Confident85 Ų8596 Ų9644%0.43653%0.531SS..Hα-helixtrans-63.1-46.2176.1-67.5169.5000109.7L187 S188 N193 Q194 V195L187-I191 HydrophobicContact CD1-CD1 4.08Å; L187-I191 HydrophobicContact CD1-CG1 4.36Å; L187-I191 HydrophobicContact CG-CD1 3.99Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 3.36Å; S188-I191 PolarHBondContact O-N 2.86Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.95Å; I191-Q194 PolarHBondContact O-N 3.41Å; I191-Q194 VanDerWaalsContact O-N 3.12Å; I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.42Å
192T87Confident83.7Confident62 Ų6295.6 Ų95.638%0.3853%0.529SS..Hα-helixtrans-56.3-44.6175.2-61.80000111S188 Q189 Q194 V195 H196S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.36Å; S188-T192 PolarHBondContact O-OG1 2.98Å; Q189-T192 PolarHBondContact O-N 2.88Å; T192-Q194 PolarHBondContact O-N 3.28Å; T192-V195 PolarHBondContact O-N 3.22Å; T192-H196 WeakPolarHBondContact CG2-CE1 3.07Å; T192-H196 VanDerWaalsContact CG2-ND1 3.33Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.27Å; T192-H196 WeakPolarHBondContact O-CB 3.45Å; T192-H196 PolarHBondContact O-N 3.08Å; T192-H196 PolarHBondContact O-ND1 3.22Å
193N87.4Confident85.1Confident97 Ų9792.2 Ų92.252%0.51951%0.511SS..Hα-helixtrans-62-39.9176.8-68.5-8.1000112.6Q189 R190 I191 H196 G197Q189-N193 PolarHBondContact O-N 2.94Å; Q189-N193 PolarHBondContact O-OD1 3.28Å; R190-N193 PolarHBondContact O-N 3.26Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.95Å; N193-H196 PolarHBondContact O-N 3.24Å; N193-G197 PolarHBondContact O-N 2.6Å
194Q89.8Confident86.4Confident141 Ų14193.3 Ų93.366%0.65951%0.505SS*.Hα-helixtrans-64.5-44.2175.2-72.6-178.8-18.200111.9R190 I191 T192 G197 L198R190-Q194 PolarHBondContact O-N 3.43Å; I191-Q194 PolarHBondContact O-N 3.41Å; I191-Q194 VanDerWaalsContact O-N 3.12Å; T192-Q194 PolarHBondContact O-N 3.28Å; Q194-G197 PolarHBondContact O-N 2.64Å; Q194-L198 PolarHBondContact O-N 3.24Å
195V90.6Very high87.7Confident69 Ų6994.7 Ų94.742%0.41851%0.51SS..Hα-helixtrans-63.5-44176.9173.70000111.1I191 T192 G197 L198 K199I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.42Å; T192-V195 PolarHBondContact O-N 3.22Å; V195-G197 VanDerWaalsContact C-N 3.33Å; V195-L198 PolarHBondContact O-N 3.4Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.04Å
196H86.8Confident88.5Confident87 Ų8797.6 Ų97.640%0.40352%0.515SS..Hα-helixtrans-64.2-39176.1-76.773.4000111.5L131 T192 N193 L198 K199 G200L131-H196 HydrophobicContact CD1-CB 4.46Å; L131-H196 WeakPolarHBondContact CD1-CD2 3.42Å; T192-H196 WeakPolarHBondContact CG2-CE1 3.07Å; T192-H196 VanDerWaalsContact CG2-ND1 3.33Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.27Å; T192-H196 WeakPolarHBondContact O-CB 3.45Å; T192-H196 PolarHBondContact O-N 3.08Å; T192-H196 PolarHBondContact O-ND1 3.22Å; N193-H196 PolarHBondContact O-N 3.24Å; H196-L198 PolarHBondContact O-N 3.06Å; H196-K199 PolarHBondContact O-N 2.88Å; H196-G200 PolarHBondContact O-N 2.96Å
197G90.2Very high88.8Confident46 Ų4696.9 Ų96.947%0.47451%0.507SS..Hα-helixtrans-58.8-45.1173.800000112.7N193 Q194 V195 G200 L201N193-G197 PolarHBondContact O-N 2.6Å; Q194-G197 PolarHBondContact O-N 2.64Å; V195-G197 VanDerWaalsContact C-N 3.33Å; G197-G200 PolarHBondContact O-N 3.46Å; G197-L201 PolarHBondContact O-N 3.49Å
198L91.1Very high89.2Confident120 Ų12094.2 Ų94.263%0.62849%0.492SS*.Hα-helixtrans-65.3-42.5176.1-72.3173.9000112.6Q194 V195 H196 G200 L201 N202Q194-L198 PolarHBondContact O-N 3.24Å; V195-L198 PolarHBondContact O-N 3.4Å; H196-L198 PolarHBondContact O-N 3.06Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 3.16Å; L198-L201 PolarHBondContact O-N 3.35Å; L198-N202 PolarHBondContact O-N 3.04Å
199K89.5Confident89.6Confident122 Ų12299.2 Ų99.253%0.5350%0.502SS..Hα-helixtrans-60.3-41.5174.4-73.8-177177.8-1770111.5L131 V195 H196 N202 S203L131-K199 HydrophobicContact CD1-CB 4.38Å; L131-K199 HydrophobicContact CD1-CD 4.44Å; L131-K199 HydrophobicContact CD2-CB 3.55Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.04Å; H196-K199 PolarHBondContact O-N 2.88Å; K199-N202 PolarHBondContact O-N 3.34Å; K199-S203 PolarHBondContact O-N 2.98Å; K199-S203 VanDerWaalsContact O-N 3.07Å
200G88.3Confident90Very high21 Ų2195.9 Ų95.922%0.21649%0.492CS..Hα-helixtrans-65.7-42.3177.900000112.4L131 H196 G197 L198 N202 S203 K204L131-G200 VanDerWaalsContact CD2-CA 3.49Å; H196-G200 PolarHBondContact O-N 2.96Å; G197-G200 PolarHBondContact O-N 3.46Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 3.16Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 3.29Å; G200-S203 PolarHBondContact O-N 3.42Å; G200-K204 WeakPolarHBondContact O-CG 3.29Å; G200-K204 PolarHBondContact O-N 3Å; G200-K204 VanDerWaalsContact O-N 3.08Å
201L90.3Very high90.1Very high94 Ų9489.2 Ų89.249%0.49247%0.467SS..Hα-helixtrans-60.7-44.3174.2-178.862000111.5G197 L198 S203 K204 L205G197-L201 PolarHBondContact O-N 3.49Å; L198-L201 PolarHBondContact O-N 3.35Å; L201-S203 PolarHBondContact O-N 2.95Å; L201-K204 PolarHBondContact O-N 3.44Å; L201-L205 HydrophobicContact CD1-CD1 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 3.06Å
202N91.8Very high90.2Very high112 Ų11288.6 Ų88.660%0.59946%0.464SS*.Hα-helixtrans-60.1-43.6177.9-174.142.2000112.3L198 K199 G200 L205 L206L198-N202 PolarHBondContact O-N 3.04Å; K199-N202 PolarHBondContact O-N 3.34Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 3.29Å; N202-L205 PolarHBondContact O-N 3.43Å; N202-L206 WeakPolarHBondContact O-CB 3.48Å; N202-L206 PolarHBondContact O-N 3.11Å
203S89.4Confident90.5Very high61 Ų6191.1 Ų91.143%0.42747%0.471SS..Hα-helixtrans-59.5-48.8175.3-167.70000111.4K199 G200 L201 L205 L206 D207K199-S203 PolarHBondContact O-N 2.98Å; K199-S203 VanDerWaalsContact O-N 3.07Å; G200-S203 PolarHBondContact O-N 3.42Å; L201-S203 PolarHBondContact O-N 2.95Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.05Å; S203-L206 WeakPolarHBondContact O-CB 3.48Å; S203-L206 PolarHBondContact O-N 3.31Å; S203-L206 VanDerWaalsContact O-N 3.1Å; S203-D207 PolarHBondContact O-N 3.01Å
204K88.2Confident90.7Very high146 Ų14691 Ų9164%0.63547%0.466SS*.Hα-helixtrans-62.3-39.9179.9-71.1-176.4177.6-170.70112.7G200 L201 L206 D207 I208G200-K204 WeakPolarHBondContact O-CG 3.29Å; G200-K204 PolarHBondContact O-N 3Å; G200-K204 VanDerWaalsContact O-N 3.08Å; L201-K204 PolarHBondContact O-N 3.44Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.06Å; K204-D207 PolarHBondContact O-N 3.39Å; K204-I208 WeakPolarHBondContact O-CG1 2.86Å; K204-I208 PolarHBondContact O-N 3.19Å
205L91.9Very high90.7Very high97 Ų9785.4 Ų85.451%0.50844%0.441SS..Hα-helixtrans-64.5-36.7175.1-71.9175.9000111.9L201 N202 S203 I208 R209L201-L205 HydrophobicContact CD1-CD1 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 3.06Å; N202-L205 PolarHBondContact O-N 3.43Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.05Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.38Å
206L93.8Very high90.7Very high101 Ų10186.4 Ų86.453%0.52946%0.457SS..Hα-helixtrans-66.7-38.4175.4-167.567.9000111.7N202 S203 K204 R209 S210N202-L206 WeakPolarHBondContact O-CB 3.48Å; N202-L206 PolarHBondContact O-N 3.11Å; S203-L206 WeakPolarHBondContact O-CB 3.48Å; S203-L206 PolarHBondContact O-N 3.31Å; S203-L206 VanDerWaalsContact O-N 3.1Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.06Å; L206-R209 WeakPolarHBondContact O-CB 3.09Å; L206-R209 PolarHBondContact O-N 2.9Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.48Å
207D89.5Confident91Very high96 Ų9686.3 Ų86.351%0.51346%0.463SS..Hα-helixtrans-65.3-43.5175.5-65.5-36.6000111.8S203 K204 R209 S210 Y211S203-D207 PolarHBondContact O-N 3.01Å; K204-D207 PolarHBondContact O-N 3.39Å; D207-R209 VanDerWaalsContact C-N 3.33Å; D207-R209 PolarHBondContact O-N 3.32Å; D207-S210 WeakPolarHBondContact O-CB 3.15Å; D207-S210 PolarHBondContact O-N 3.17Å; D207-Y211 PolarHBondContact O-N 3.36Å
208I91.9Very high90.8Very high65 Ų6587.1 Ų87.133%0.33347%0.471SS..Hα-helixtrans-58.8-45.8173.6-68.7165.7000110.3K204 L205 S210 Y211 L212 L230K204-I208 WeakPolarHBondContact O-CG1 2.86Å; K204-I208 PolarHBondContact O-N 3.19Å; L205-I208 PolarHBondContact O-N 3.38Å; I208-S210 PolarHBondContact O-N 3.11Å; I208-Y211 PolarHBondContact O-N 3Å; I208-L212 HydrophobicContact CG2-CD1 4.11Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 2.87Å; I208-L230 HydrophobicContact CD1-CD2 3.96Å; I208-L230 HydrophobicContact CG1-CD2 4.24Å; I208-L230 HydrophobicContact CG2-CD1 4.04Å; I208-L230 HydrophobicContact CG2-CD2 3.63Å
209R92.7Very high90.6Very high166 Ų16689.5 Ų89.563%0.62648%0.476SS*.Hα-helixtrans-59.4-46.3176.1-179.9-174.4172-176.2-0.8111.4L205 L206 D207 Y211 L212 E213L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.38Å; L206-R209 WeakPolarHBondContact O-CB 3.09Å; L206-R209 PolarHBondContact O-N 2.9Å; D207-R209 VanDerWaalsContact C-N 3.33Å; D207-R209 PolarHBondContact O-N 3.32Å; R209-Y211 VanDerWaalsContact C-N 3.3Å; R209-Y211 PolarHBondContact O-N 3.26Å; R209-L212 PolarHBondContact O-N 3.49Å; R209-E213 WeakPolarHBondContact O-CB 3.35Å; R209-E213 PolarHBondContact O-N 3.01Å
210S92.9Very high90.1Very high45 Ų4587.5 Ų87.532%0.31547%0.471SS..Hα-helixtrans-60.7-39.3178.5-170.40000112L206 D207 I208 K214L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.48Å; D207-S210 WeakPolarHBondContact O-CB 3.15Å; D207-S210 PolarHBondContact O-N 3.17Å; I208-S210 PolarHBondContact O-N 3.11Å; S210-K214 VanDerWaalsContact O-CG 3.3Å; S210-K214 WeakPolarHBondContact O-CG 3.16Å; S210-K214 PolarHBondContact O-N 3.46Å; S210-K214 VanDerWaalsContact O-N 3.15Å
211Y90.5Very high89.7Confident41 Ų4192 Ų9216%0.16150%0.496CS..Hα-helixtrans-63.7-51.8174.8174.6-104.5000111.6D207 I208 R209 E213 K214 V215 L220 N223 I226D207-Y211 PolarHBondContact O-N 3.36Å; I208-Y211 PolarHBondContact O-N 3Å; R209-Y211 VanDerWaalsContact C-N 3.3Å; R209-Y211 PolarHBondContact O-N 3.26Å; Y211-E213 VanDerWaalsContact C-N 3.28Å; Y211-E213 PolarHBondContact O-N 3.37Å; Y211-K214 WeakPolarHBondContact O-CB 3.43Å; Y211-K214 PolarHBondContact O-N 2.74Å; Y211-K214 VanDerWaalsContact O-N 3.1Å; Y211-V215 HydrophobicContact CD1-CG2 4.36Å; Y211-V215 HydrophobicContact CD2-CG2 4.29Å; Y211-V215 HydrophobicContact CE1-CG2 3.91Å; Y211-V215 HydrophobicContact CE2-CG2 3.82Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.89Å; Y211-L220 HydrophobicContact CE2-CD2 4.15Å; Y211-N223 PolarHBondContact OH-N 2.84Å; Y211-I226 HydrophobicContact CD1-CG2 4.3Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.84Å
212L90.4Very high89.3Confident71 Ų7191.7 Ų91.737%0.37250%0.495SS..Hα-helixtrans-61-36.6179.7-69177.1000112.4I208 R209 V215 A216 L230I208-L212 HydrophobicContact CG2-CD1 4.11Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 2.87Å; R209-L212 PolarHBondContact O-N 3.49Å; L212-V215 PolarHBondContact O-N 3.21Å; L212-A216 VanDerWaalsContact O-CB 3.27Å; L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 2.83Å; L212-L230 HydrophobicContact CD1-CD1 4.46Å; L212-L230 HydrophobicContact CD2-CD1 4.07Å; L212-L230 HydrophobicContact CG-CD1 4.44Å
213E94.1Very high88.9Confident116 Ų11689.4 Ų89.454%0.54248%0.482SS..Hα-helixtrans-65.3-40.1175.1-174.2173-165.200112.3R209 Y211 A216 T217R209-E213 WeakPolarHBondContact O-CB 3.35Å; R209-E213 PolarHBondContact O-N 3.01Å; Y211-E213 VanDerWaalsContact C-N 3.28Å; Y211-E213 PolarHBondContact O-N 3.37Å; E213-A216 PolarHBondContact O-N 2.94Å; E213-T217 WeakPolarHBondContact O-CB 3.23Å; E213-T217 WeakPolarHBondContact O-CG2 3.45Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 2.88Å
214K91Very high88.5Confident94 Ų9490.6 Ų90.641%0.40948%0.481SS..Hα-helixtrans-67.3-36.5175.6-73.2169-173.5164.60112.7S210 Y211 T217 G218 K219S210-K214 VanDerWaalsContact O-CG 3.3Å; S210-K214 WeakPolarHBondContact O-CG 3.16Å; S210-K214 PolarHBondContact O-N 3.46Å; S210-K214 VanDerWaalsContact O-N 3.15Å; Y211-K214 WeakPolarHBondContact O-CB 3.43Å; Y211-K214 PolarHBondContact O-N 2.74Å; Y211-K214 VanDerWaalsContact O-N 3.1Å; K214-T217 WeakPolarHBondContact CA-OG1 3.36Å; K214-T217 PolarHBondContact O-OG1 2.88Å; K214-G218 PolarHBondContact O-N 2.94Å; K214-K219 PolarHBondContact O-N 3.06Å
215V89.9Confident88.3Confident23 Ų2388.9 Ų88.914%0.13948%0.475CS..Hα-helixtrans-69.9-45.4175.61730000110.5Y211 L212 T217 G218 I222Y211-V215 HydrophobicContact CD1-CG2 4.36Å; Y211-V215 HydrophobicContact CD2-CG2 4.29Å; Y211-V215 HydrophobicContact CE1-CG2 3.91Å; Y211-V215 HydrophobicContact CE2-CG2 3.82Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.89Å; L212-V215 PolarHBondContact O-N 3.21Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.63Å; V215-G218 PolarHBondContact O-N 3.14Å; V215-I222 HydrophobicContact CG1-CB 4.49Å; V215-I222 HydrophobicContact CG1-CD1 4.4Å; V215-I222 HydrophobicContact CG1-CG1 3.49Å; V215-I222 VanDerWaalsContact CG1-CG1 3.49Å
216A90.8Very high88.1Confident91 Ų9187.1 Ų87.175%0.75247%0.466SS*.Hα-helixtrans-62.9-34.3178.200000112.9L212 E213 G218L212-A216 VanDerWaalsContact O-CB 3.27Å; L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 2.83Å; E213-A216 PolarHBondContact O-N 2.94Å; A216-G218 VanDerWaalsContact C-N 3.25Å; A216-G218 PolarHBondContact O-N 2.72Å
217T92.9Very high87.8Confident85 Ų8585.2 Ų85.252%0.52146%0.455SS..THydrogen-bonded Turntrans-79.9-2.2174.351.40000113.9E213 K214 V215 K219E213-T217 WeakPolarHBondContact O-CB 3.23Å; E213-T217 WeakPolarHBondContact O-CG2 3.45Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 2.88Å; K214-T217 WeakPolarHBondContact CA-OG1 3.36Å; K214-T217 PolarHBondContact O-OG1 2.88Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.63Å; T217-K219 VanDerWaalsContact C-N 3.3Å; T217-K219 PolarHBondContact O-N 3.28Å
218G85.9Confident87.8Confident63 Ų6386.8 Ų86.865%0.64946%0.455SS*.THydrogen-bonded Turntrans72.615.417700000115.1K214 V215 A216K214-G218 PolarHBondContact O-N 2.94Å; V215-G218 PolarHBondContact O-N 3.14Å; A216-G218 VanDerWaalsContact C-N 3.25Å; A216-G218 PolarHBondContact O-N 2.72Å
219K85.9Confident87.7Confident169 Ų16988.9 Ų88.974%0.73546%0.463SS*.SBendtrans-79.5-23.3-179.5-69.4-177.3179.8177.20113.5K214 T217K214-K219 PolarHBondContact O-N 3.06Å; T217-K219 VanDerWaalsContact C-N 3.3Å; T217-K219 PolarHBondContact O-N 3.28Å
220L79.4Confident87.6Confident81 Ų8182.1 Ų82.142%0.42444%0.439SS..SBendtrans-124.8142.8178.7-12187.7000109.8Y211Y211-L220 HydrophobicContact CE2-CD2 4.15Å
221P80.3Confident87.5Confident114 Ų11485 Ų8574%0.7445%0.448SS*.  trans-61.9146168.326-33000110.9N223P221-N223 PolarHBondContact O-N 3.14Å
222I81.8Confident87.6Confident89 Ų8987.5 Ų87.546%0.45646%0.464SS..  trans-71.8125.1179.9-66.2161.2000108.9V215 I227V215-I222 HydrophobicContact CG1-CB 4.49Å; V215-I222 HydrophobicContact CG1-CD1 4.4Å; V215-I222 HydrophobicContact CG1-CG1 3.49Å; V215-I222 VanDerWaalsContact CG1-CG1 3.49Å; I222-I227 HydrophobicContact CG2-CD1 3.43Å; I222-I227 VanDerWaalsContact CG2-CD1 3.43Å; I222-I227 HydrophobicContact CG2-CG1 4.47Å
223N82.8Confident87.7Confident63 Ų6388.3 Ų88.334%0.33747%0.472SS..  trans-94.9105.5165.1-173.3-23.8000108.7Y211 P221 Q225 I226 I227Y211-N223 PolarHBondContact OH-N 2.84Å; P221-N223 PolarHBondContact O-N 3.14Å; N223-Q225 VanDerWaalsContact C-N 3.25Å; N223-Q225 PolarHBondContact O-N 2.73Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.15Å; N223-Q225 PolarHBondContact OD1-N 2.96Å; N223-I226 HydrophobicContact CB-CD1 4.01Å; N223-I226 HydrophobicContact CB-CG1 4.19Å; N223-I226 PolarHBondContact O-N 3.37Å; N223-I227 PolarHBondContact O-N 3.18Å
224H83.1Confident87.4Confident87 Ų8789.2 Ų89.240%0.40347%0.474SS..Hα-helixtrans-59.3-35.3-177.8-62.994.3000112.6I226 I227 Y228H224-I226 VanDerWaalsContact C-N 3.35Å; H224-I226 PolarHBondContact O-N 3.03Å; H224-I227 PolarHBondContact O-N 3.02Å; H224-Y228 HydrophobicContact CB-CE2 4.08Å; H224-Y228 WeakPolarHBondContact O-CD2 3.04Å; H224-Y228 VanDerWaalsContact O-CG 3.31Å; H224-Y228 PolarHBondContact O-N 3.38Å
225Q83.4Confident87.4Confident110 Ų11090.2 Ų90.251%0.51448%0.484SS..Hα-helixtrans-61.1-43.3-179.6-174.461.719.400111.9N223 I227 Y228 Q229N223-Q225 VanDerWaalsContact C-N 3.25Å; N223-Q225 PolarHBondContact O-N 2.73Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.15Å; N223-Q225 PolarHBondContact OD1-N 2.96Å; Q225-I227 VanDerWaalsContact C-N 3.33Å; Q225-I227 PolarHBondContact O-N 2.99Å; Q225-Y228 PolarHBondContact O-N 2.96Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.01Å
226I86.4Confident87.5Confident60 Ų6095.9 Ų95.931%0.30851%0.513SS..Hα-helixtrans-65.5-40.6178.9-61.8177.7000110.1Y211 N223 H224 Q229 L230Y211-I226 HydrophobicContact CD1-CG2 4.3Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.84Å; N223-I226 HydrophobicContact CB-CD1 4.01Å; N223-I226 HydrophobicContact CB-CG1 4.19Å; N223-I226 PolarHBondContact O-N 3.37Å; H224-I226 VanDerWaalsContact C-N 3.35Å; H224-I226 PolarHBondContact O-N 3.03Å; I226-Q229 PolarHBondContact O-N 2.95Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CB 3.5Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 2.8Å
227I88.5Confident87.2Confident60 Ų6096.9 Ų96.931%0.30851%0.505SS..Hα-helixtrans-65.6-42.9179.5-63.2-175.9000111.1I222 N223 H224 Q225 L230 Q231I222-I227 HydrophobicContact CG2-CD1 3.43Å; I222-I227 VanDerWaalsContact CG2-CD1 3.43Å; I222-I227 HydrophobicContact CG2-CG1 4.47Å; N223-I227 PolarHBondContact O-N 3.18Å; H224-I227 PolarHBondContact O-N 3.02Å; Q225-I227 VanDerWaalsContact C-N 3.33Å; Q225-I227 PolarHBondContact O-N 2.99Å; I227-L230 PolarHBondContact O-N 3.41Å; I227-Q231 PolarHBondContact O-N 3.15Å
228Y90Very high86.8Confident130 Ų13097.8 Ų97.851%0.5151%0.512SS..Hα-helixtrans-61.7-44.7176.3-62.9-30.8000111.8H224 Q225 L230 Q231 D232H224-Y228 HydrophobicContact CB-CE2 4.08Å; H224-Y228 WeakPolarHBondContact O-CD2 3.04Å; H224-Y228 VanDerWaalsContact O-CG 3.31Å; H224-Y228 PolarHBondContact O-N 3.38Å; Q225-Y228 PolarHBondContact O-N 2.96Å; Y228-L230 VanDerWaalsContact C-N 3.33Å; Y228-L230 PolarHBondContact O-N 3.42Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 2.74Å; Y228-D232 PolarHBondContact O-N 3.01Å
229Q89.6Confident86.5Confident108 Ų10899.4 Ų99.451%0.50551%0.506SS..Hα-helixtrans-61.2-40.7174.6-72.7176.8-11.700112.3Q225 I226 Q231 D232 V233Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.01Å; I226-Q229 PolarHBondContact O-N 2.95Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q229-D232 PolarHBondContact O-N 3.36Å; Q229-V233 WeakPolarHBondContact O-CG2 3.41Å; Q229-V233 PolarHBondContact O-N 2.93Å
230L90.6Very high86Confident24 Ų2496 Ų9613%0.12650%0.499CS..Hα-helixtrans-64.1-39.7175.9-74172.3000111.7I208 L212 I226 I227 Y228 V233 F234I208-L230 HydrophobicContact CD1-CD2 3.96Å; I208-L230 HydrophobicContact CG1-CD2 4.24Å; I208-L230 HydrophobicContact CG2-CD1 4.04Å; I208-L230 HydrophobicContact CG2-CD2 3.63Å; L212-L230 HydrophobicContact CD1-CD1 4.46Å; L212-L230 HydrophobicContact CD2-CD1 4.07Å; L212-L230 HydrophobicContact CG-CD1 4.44Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CB 3.5Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 2.8Å; I227-L230 PolarHBondContact O-N 3.41Å; Y228-L230 VanDerWaalsContact C-N 3.33Å; Y228-L230 PolarHBondContact O-N 3.42Å; L230-V233 WeakPolarHBondContact O-CB 3.18Å; L230-V233 PolarHBondContact O-N 3.46Å; L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 2.9Å; L230-F234 VanDerWaalsContact O-N 3.13Å
231Q90.1Very high86.1Confident107 Ų10796 Ų9650%0.551%0.505SS..Hα-helixtrans-63.2-43.3175.4-175.1175.7-5.900111.6I227 Y228 Q229 V233 F234 N235I227-Q231 PolarHBondContact O-N 3.15Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 2.74Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 2.83Å; Q231-F234 PolarHBondContact O-N 3.31Å; Q231-F234 VanDerWaalsContact O-N 3.16Å; Q231-N235 PolarHBondContact O-N 2.77Å; Q231-N235 PolarHBondContact O-ND2 3.09Å
232D93.1Very high86.5Confident92 Ų9295.5 Ų95.549%0.49250%0.496SS..Hα-helixtrans-60.8-39.8174.9-73.1-20.5000111.8Y228 Q229 F234 N235 L236Y228-D232 PolarHBondContact O-N 3.01Å; Q229-D232 PolarHBondContact O-N 3.36Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.86Å; D232-N235 PolarHBondContact O-N 3.2Å; D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 2.92Å
233V91.8Very high86.7Confident88 Ų8898.6 Ų98.653%0.53351%0.509SS..Hα-helixtrans-58.6-43.7174.4169.10000111.3Q229 L230 Q231 L236 L237Q229-V233 WeakPolarHBondContact O-CG2 3.41Å; Q229-V233 PolarHBondContact O-N 2.93Å; L230-V233 WeakPolarHBondContact O-CB 3.18Å; L230-V233 PolarHBondContact O-N 3.46Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 2.83Å; V233-L236 PolarHBondContact O-N 2.84Å; V233-L237 PolarHBondContact O-N 3.31Å
234F88.6Confident87Confident136 Ų136103.6 Ų103.660%0.59653%0.53SS*.Hα-helixtrans-67.5-37.7176.8-73.7-66.2000112.7L230 Q231 D232 L236 L237L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 2.9Å; L230-F234 VanDerWaalsContact O-N 3.13Å; Q231-F234 PolarHBondContact O-N 3.31Å; Q231-F234 VanDerWaalsContact O-N 3.16Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.86Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; F234-L237 HydrophobicContact CD1-CD1 3.82Å; F234-L237 WeakPolarHBondContact O-CB 3.37Å; F234-L237 PolarHBondContact O-N 2.9Å
235N90Very high87.3Confident115 Ų115104.5 Ų104.562%0.61553%0.533SS*.Hα-helixtrans-68.2-29.5177.3-70.1-21.8000112.8Q231 D232Q231-N235 PolarHBondContact O-N 2.77Å; Q231-N235 PolarHBondContact O-ND2 3.09Å; D232-N235 PolarHBondContact O-N 3.2Å
236L92Very high87.6Confident142 Ų142101.4 Ų101.474%0.74352%0.521SS*.THydrogen-bonded Turntrans-87-1.7179-70.4171.3000113.7D232 V233 F234 P238D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 2.92Å; V233-L236 PolarHBondContact O-N 2.84Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; L236-P238 WeakPolarHBondContact O-CD 3.47Å; L236-P238 VanDerWaalsContact O-N 3.16Å
237L85.9Confident87.9Confident112 Ų112106.3 Ų106.359%0.58654%0.541SS*.  trans-62118.8176.7-79.3170.8000109.6V233 F234 D239V233-L237 PolarHBondContact O-N 3.31Å; F234-L237 HydrophobicContact CD1-CD1 3.82Å; F234-L237 WeakPolarHBondContact O-CB 3.37Å; F234-L237 PolarHBondContact O-N 2.9Å; L237-D239 PolarHBondContact O-N 3.44Å
238P84.4Confident88Confident103 Ų103106.1 Ų106.167%0.66955%0.548SS*.  trans-71.1133-17728.2-33.4000110.3L236 V240L236-P238 WeakPolarHBondContact O-CD 3.47Å; L236-P238 VanDerWaalsContact O-N 3.16Å; P238-V240 PolarHBondContact O-N 3.43Å; P238-V240 VanDerWaalsContact O-N 3.12Å
239D79.6Confident88Confident97 Ų97105.9 Ų105.952%0.51955%0.55SS..  trans-76100.3168.7-170.3-10.7000109.7L237 S241 L242L237-D239 PolarHBondContact O-N 3.44Å; D239-S241 PolarHBondContact O-N 3.42Å; D239-S241 WeakPolarHBondContact OD1-CB 3.28Å; D239-S241 PolarHBondContact OD1-N 2.79Å; D239-S241 PolarHBondContact OD1-OG 2.99Å; D239-S241 PolarHBondContact OD2-OG 3.03Å; D239-L242 HydrophobicContact CB-CD1 4.32Å; D239-L242 HydrophobicContact CB-CG 4.42Å
240V75.8Confident88.1Confident97 Ų97108.4 Ų108.459%0.58856%0.556SS**THydrogen-bonded Turntrans-70.6-8.7179.9-68.80000113.6P238 F245P238-V240 PolarHBondContact O-N 3.43Å; P238-V240 VanDerWaalsContact O-N 3.12Å; V240-F245 HydrophobicContact CB-CE1 4.48Å; V240-F245 HydrophobicContact CG1-CE1 4.37Å
241S80.4Confident88.3Confident81 Ų81112.4 Ų112.457%0.56658%0.577SS**THydrogen-bonded Turntrans-88.7-4.1-178.674.40000114D239 Q243D239-S241 PolarHBondContact O-N 3.42Å; D239-S241 WeakPolarHBondContact OD1-CB 3.28Å; D239-S241 PolarHBondContact OD1-N 2.79Å; D239-S241 PolarHBondContact OD1-OG 2.99Å; D239-S241 PolarHBondContact OD2-OG 3.03Å; S241-Q243 PolarHBondContact O-N 2.83Å
242L88.3Confident88.5Confident105 Ų105113.9 Ų113.955%0.5558%0.582SS.*  trans-60.5126.2176.4-80.3166.4000111.5D239 E244 F245 V246D239-L242 HydrophobicContact CB-CD1 4.32Å; D239-L242 HydrophobicContact CB-CG 4.42Å; L242-E244 PolarHBondContact O-N 3.37Å; L242-F245 HydrophobicContact CB-CB 4.24Å; L242-F245 WeakPolarHBondContact O-CB 3.32Å; L242-F245 PolarHBondContact O-N 2.99Å; L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 3.1Å
243Q86Confident88.6Confident153 Ų153112.7 Ų112.772%0.71558%0.578SS**Hα-helixtrans-56.8-35-178.4-76.3-67.1-43.400113.2S241 V246 K247S241-Q243 PolarHBondContact O-N 2.83Å; Q243-V246 PolarHBondContact O-N 3.38Å; Q243-K247 WeakPolarHBondContact O-CB 3.5Å; Q243-K247 PolarHBondContact O-N 3.13Å
244E88.5Confident88.8Confident168 Ų168113 Ų11379%0.78558%0.577SS**Hα-helixtrans-66.1-42.7176.4-172.7169.8-168.200112L242 K247 A248L242-E244 PolarHBondContact O-N 3.37Å; E244-K247 PolarHBondContact O-N 3.22Å; E244-A248 WeakPolarHBondContact O-CB 3.49Å; E244-A248 PolarHBondContact O-N 3Å
245F89.4Confident89.1Confident107 Ų107110.2 Ų110.247%0.46957%0.568SS.*Hα-helixtrans-64.5-44.3175.5-178.4-98.5000111.3V240 L242 K247 A248 F249V240-F245 HydrophobicContact CB-CE1 4.48Å; V240-F245 HydrophobicContact CG1-CE1 4.37Å; L242-F245 HydrophobicContact CB-CB 4.24Å; L242-F245 WeakPolarHBondContact O-CB 3.32Å; L242-F245 PolarHBondContact O-N 2.99Å; F245-K247 PolarHBondContact O-N 3.29Å; F245-A248 PolarHBondContact O-N 3.44Å; F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.43Å; F245-F249 PolarHBondContact O-N 3.47Å
246V90.9Very high89.3Confident44 Ų44110.1 Ų110.127%0.26756%0.564SS.*Hα-helixtrans-58.8-48.11771740000110.6L242 Q243 A248 F249 Y250L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 3.1Å; Q243-V246 PolarHBondContact O-N 3.38Å; V246-A248 PolarHBondContact O-N 3.24Å; V246-F249 WeakPolarHBondContact O-CB 3.26Å; V246-F249 PolarHBondContact O-N 3.41Å; V246-Y250 HydrophobicContact CG1-CD2 3.66Å; V246-Y250 HydrophobicContact CG1-CE2 3.46Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.46Å; V246-Y250 WeakPolarHBondContact O-CD2 3.46Å; V246-Y250 PolarHBondContact O-N 3.1Å
247K92.1Very high89.5Confident164 Ų164109.6 Ų109.671%0.71356%0.559SS**Hα-helixtrans-61.8-44.8177.7-174179.5179.5-177.50112Q243 E244 F245 F249 Y250 L251Q243-K247 WeakPolarHBondContact O-CB 3.5Å; Q243-K247 PolarHBondContact O-N 3.13Å; E244-K247 PolarHBondContact O-N 3.22Å; F245-K247 PolarHBondContact O-N 3.29Å; K247-F249 VanDerWaalsContact C-N 3.32Å; K247-F249 PolarHBondContact O-N 3.19Å; K247-Y250 PolarHBondContact O-N 3.36Å; K247-L251 PolarHBondContact O-N 3.22Å
248A91.5Very high89.9Confident56 Ų56108.5 Ų108.546%0.46356%0.557SS.*Hα-helixtrans-62.9-39.417700000111.9E244 F245 V246 L251 K252E244-A248 WeakPolarHBondContact O-CB 3.49Å; E244-A248 PolarHBondContact O-N 3Å; F245-A248 PolarHBondContact O-N 3.44Å; V246-A248 PolarHBondContact O-N 3.24Å; A248-L251 PolarHBondContact O-N 3.01Å; A248-K252 WeakPolarHBondContact O-CB 3.3Å; A248-K252 PolarHBondContact O-N 3.43Å
249F90.1Very high90.4Very high124 Ų124107.9 Ų107.954%0.54455%0.551SS.*Hα-helixtrans-63-48.6176-172.6-99.2000111.3F245 V246 K247 L251 K252 T253F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.43Å; F245-F249 PolarHBondContact O-N 3.47Å; V246-F249 WeakPolarHBondContact O-CB 3.26Å; V246-F249 PolarHBondContact O-N 3.41Å; K247-F249 VanDerWaalsContact C-N 3.32Å; K247-F249 PolarHBondContact O-N 3.19Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 3.29Å; F249-K252 PolarHBondContact O-N 3Å; F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 3.1Å; F249-T253 PolarHBondContact O-OG1 2.7Å
250Y90.6Very high91.2Very high162 Ų162107.5 Ų107.564%0.63555%0.552SS**Hα-helixtrans-58-44.6175.4-84.9-69.5000112.7V246 K247 K252 T253 N254V246-Y250 HydrophobicContact CG1-CD2 3.66Å; V246-Y250 HydrophobicContact CG1-CE2 3.46Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.46Å; V246-Y250 WeakPolarHBondContact O-CD2 3.46Å; V246-Y250 PolarHBondContact O-N 3.1Å; K247-Y250 PolarHBondContact O-N 3.36Å; Y250-K252 VanDerWaalsContact C-N 3.32Å; Y250-K252 PolarHBondContact O-N 2.98Å; Y250-T253 PolarHBondContact O-N 3.25Å; Y250-N254 WeakPolarHBondContact O-CB 3.31Å; Y250-N254 PolarHBondContact O-N 3.27Å
251L94.8Very high92.1Very high108 Ų108110.5 Ų110.557%0.56555%0.553SS**Hα-helixtrans-58.6-47.4176.8-17766.4000110.5K247 A248 F249 N254 D255K247-L251 PolarHBondContact O-N 3.22Å; A248-L251 PolarHBondContact O-N 3.01Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 3.29Å; L251-N254 PolarHBondContact O-N 2.84Å; L251-D255 PolarHBondContact O-N 2.96Å
252K94.6Very high92.8Very high138 Ų138111.5 Ų111.560%0.655%0.552SS**Hα-helixtrans-68.9-38-178.3-165.765-1761740113.2A248 F249 Y250 N254 D255 Q256A248-K252 WeakPolarHBondContact O-CB 3.3Å; A248-K252 PolarHBondContact O-N 3.43Å; F249-K252 PolarHBondContact O-N 3Å; Y250-K252 VanDerWaalsContact C-N 3.32Å; Y250-K252 PolarHBondContact O-N 2.98Å; K252-N254 VanDerWaalsContact C-N 3.34Å; K252-D255 PolarHBondContact O-N 3.17Å; K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 3.01Å
253T95.1Very high93.1Very high66 Ų66108.8 Ų108.841%0.40554%0.544SS..Hα-helixtrans-63.1-42.8174.3-59.20000110.9F249 Y250 Q256 M257F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 3.1Å; F249-T253 PolarHBondContact O-OG1 2.7Å; Y250-T253 PolarHBondContact O-N 3.25Å; T253-Q256 PolarHBondContact O-N 3.47Å; T253-M257 WeakPolarHBondContact O-CB 3.42Å; T253-M257 PolarHBondContact O-N 3.16Å
254N95.4Very high93.6Very high96 Ų96103.7 Ų103.751%0.51353%0.526SS..Hα-helixtrans-61.2-48.1177.3-171.847.4000111.3Y250 L251 K252 Q256 M257 V258Y250-N254 WeakPolarHBondContact O-CB 3.31Å; Y250-N254 PolarHBondContact O-N 3.27Å; L251-N254 PolarHBondContact O-N 2.84Å; K252-N254 VanDerWaalsContact C-N 3.34Å; N254-Q256 VanDerWaalsContact C-N 3.33Å; N254-Q256 PolarHBondContact O-N 2.62Å; N254-M257 PolarHBondContact O-N 3.4Å; N254-M257 VanDerWaalsContact O-N 3.15Å; N254-V258 WeakPolarHBondContact O-CG2 3.3Å; N254-V258 PolarHBondContact O-N 2.95Å
255D95.9Very high93.9Very high77 Ų7799.7 Ų99.741%0.41251%0.509SS..Hα-helixtrans-58.2-44.8176.6-68.3-14.7000112L251 K252 M257 V258 V259L251-D255 PolarHBondContact O-N 2.96Å; K252-D255 PolarHBondContact O-N 3.17Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.35Å; D255-V258 PolarHBondContact O-N 3.09Å; D255-V259 PolarHBondContact O-N 2.77Å
256Q94.6Very high94.2Very high113 Ų11399 Ų9953%0.52851%0.51SS..Hα-helixtrans-64.6-38.1178.4-170.565.713.900111.7K252 T253 N254 V259 V260K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 3.01Å; T253-Q256 PolarHBondContact O-N 3.47Å; N254-Q256 VanDerWaalsContact C-N 3.33Å; N254-Q256 PolarHBondContact O-N 2.62Å; Q256-V259 PolarHBondContact O-N 3.19Å; Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.22Å
257M94.7Very high94.4Very high131 Ų131105.7 Ų105.765%0.64553%0.53SS*.Hα-helixtrans-67.9-35.7178.9-170.3170.8162.800111.9T253 N254 D255 V259 V260 Y261T253-M257 WeakPolarHBondContact O-CB 3.42Å; T253-M257 PolarHBondContact O-N 3.16Å; N254-M257 PolarHBondContact O-N 3.4Å; N254-M257 VanDerWaalsContact O-N 3.15Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.35Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 PolarHBondContact O-N 2.93Å; M257-V260 PolarHBondContact O-N 3.02Å; M257-Y261 WeakPolarHBondContact O-CB 3.16Å; M257-Y261 PolarHBondContact O-N 3.35Å
258V95.4Very high94.6Very high89 Ų89101.6 Ų101.654%0.53952%0.522SS..Hα-helixtrans-61.3-43173172.80000111.1N254 D255 Y261 L262N254-V258 WeakPolarHBondContact O-CG2 3.3Å; N254-V258 PolarHBondContact O-N 2.95Å; D255-V258 PolarHBondContact O-N 3.09Å; V258-Y261 PolarHBondContact O-N 3.14Å; V258-L262 PolarHBondContact O-N 3.2Å
259V95.8Very high94.8Very high89 Ų89103.2 Ų103.254%0.53953%0.526SS..Hα-helixtrans-63-43.1176.1175.60000111.3D255 Q256 M257 Y261 L262 A263D255-V259 PolarHBondContact O-N 2.77Å; Q256-V259 PolarHBondContact O-N 3.19Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 PolarHBondContact O-N 2.93Å; V259-Y261 VanDerWaalsContact C-N 3.31Å; V259-Y261 PolarHBondContact O-N 3.49Å; V259-L262 PolarHBondContact O-N 3.24Å; V259-A263 WeakPolarHBondContact O-CB 3.4Å; V259-A263 PolarHBondContact O-N 3.42Å
260V94.4Very high95.1Very high89 Ų89101 Ų10154%0.53952%0.522SS..Hα-helixtrans-60.8-42.9175.9172.30000110.8Q256 M257 A263 S264Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.22Å; M257-V260 PolarHBondContact O-N 3.02Å; V260-A263 PolarHBondContact O-N 3.37Å; V260-S264 WeakPolarHBondContact O-CB 3.42Å; V260-S264 PolarHBondContact O-N 3.29Å
261Y95.8Very high95.3Very high160 Ų16095.8 Ų95.863%0.62751%0.513SS*.Hα-helixtrans-62.9-49.4178.7-173.3-107.5000111.6M257 V258 V259 A263 S264 L265M257-Y261 WeakPolarHBondContact O-CB 3.16Å; M257-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 PolarHBondContact O-N 3.14Å; V259-Y261 VanDerWaalsContact C-N 3.31Å; V259-Y261 PolarHBondContact O-N 3.49Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; Y261-A263 PolarHBondContact O-N 3.42Å; Y261-S264 PolarHBondContact O-N 3.36Å; Y261-S264 VanDerWaalsContact O-N 3.12Å; Y261-S264 PolarHBondContact O-OG 3.03Å; Y261-L265 HydrophobicContact CE1-CD1 4.46Å; Y261-L265 PolarHBondContact O-N 2.82Å
262L95.2Very high95.3Very high103 Ų10395.8 Ų95.854%0.53951%0.513SS..Hα-helixtrans-59.6-44.2177.8-176.762.6000111.9V258 V259 S264 L265 I266V258-L262 PolarHBondContact O-N 3.2Å; V259-L262 PolarHBondContact O-N 3.24Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 2.86Å; L262-L265 PolarHBondContact O-N 3.12Å; L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 WeakPolarHBondContact O-CG1 3.44Å; L262-I266 PolarHBondContact O-N 3.39Å
263A94.8Very high95.4Very high47 Ų4794.3 Ų94.339%0.38851%0.508SS..Hα-helixtrans-61.5-38.2176.300000112.3V259 V260 Y261 R267V259-A263 WeakPolarHBondContact O-CB 3.4Å; V259-A263 PolarHBondContact O-N 3.42Å; V260-A263 PolarHBondContact O-N 3.37Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; Y261-A263 PolarHBondContact O-N 3.42Å; A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.46Å
264S95.3Very high95.4Very high47 Ų4795 Ų9533%0.32951%0.51SS..Hα-helixtrans-68.3-35176.978.50000112.9V260 Y261 L262 R267 S268V260-S264 WeakPolarHBondContact O-CB 3.42Å; V260-S264 PolarHBondContact O-N 3.29Å; Y261-S264 PolarHBondContact O-N 3.36Å; Y261-S264 VanDerWaalsContact O-N 3.12Å; Y261-S264 PolarHBondContact O-OG 3.03Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 2.86Å; S264-R267 PolarHBondContact O-N 3.39Å; S264-S268 PolarHBondContact O-N 2.86Å; S264-S268 PolarHBondContact O-OG 2.99Å
265L95.6Very high95.4Very high83 Ų8396 Ų9644%0.43551%0.514SS..Hα-helixtrans-69.1-48.5177.3-162.3165000110.2Y261 L262 R267 S268 V269Y261-L265 HydrophobicContact CE1-CD1 4.46Å; Y261-L265 PolarHBondContact O-N 2.82Å; L262-L265 PolarHBondContact O-N 3.12Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.06Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.39Å; L265-S268 VanDerWaalsContact O-N 3.11Å; L265-V269 HydrophobicContact CD2-CG2 4Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.44Å
266I95.8Very high95.3Very high94 Ų9496.2 Ų96.248%0.48252%0.515SS..Hα-helixtrans-57.4-45175.1-65166.8000110.2L262 S268 V269 V270L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 WeakPolarHBondContact O-CG1 3.44Å; L262-I266 PolarHBondContact O-N 3.39Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.01Å; I266-V269 PolarHBondContact O-N 3.48Å; I266-V270 HydrophobicContact CG2-CG2 4.44Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.47Å
267R94.6Very high95.3Very high183 Ų18394.2 Ų94.269%0.69151%0.507SS*.Hα-helixtrans-60.7-40.3177.6-168.9-175.9-67.8146.4-1.6112A263 S264 L265 V270 A271A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.46Å; S264-R267 PolarHBondContact O-N 3.39Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.06Å; R267-V270 PolarHBondContact O-N 3.36Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.24Å
268S96.1Very high95.3Very high79 Ų7992.8 Ų92.855%0.55250%0.503SS*.Hα-helixtrans-63.4-42.4176.1-61.20000112.2S264 L265 I266 A271 L272S264-S268 PolarHBondContact O-N 2.86Å; S264-S268 PolarHBondContact O-OG 2.99Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.39Å; L265-S268 VanDerWaalsContact O-N 3.11Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.01Å; S268-A271 PolarHBondContact O-N 2.89Å; S268-L272 WeakPolarHBondContact O-CB 3.14Å; S268-L272 PolarHBondContact O-N 3.26Å
269V95.6Very high95.2Very high90 Ų9096.2 Ų96.255%0.54551%0.51SS..Hα-helixtrans-64.6-44.1176.9174.20000111.3L265 I266 L272 H273L265-V269 HydrophobicContact CD2-CG2 4Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.44Å; I266-V269 PolarHBondContact O-N 3.48Å; V269-L272 PolarHBondContact O-N 3Å; V269-H273 PolarHBondContact O-N 3.19Å
270V96.2Very high95.1Very high76 Ų7695.7 Ų95.746%0.46150%0.504SS..Hα-helixtrans-62.8-44.1175.9173.10000111.1I266 R267 L272 H273 N274I266-V270 HydrophobicContact CG2-CG2 4.44Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.47Å; R267-V270 PolarHBondContact O-N 3.36Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 2.9Å; V270-H273 PolarHBondContact O-N 2.97Å; V270-N274 WeakPolarHBondContact O-CB 3.49Å; V270-N274 PolarHBondContact O-N 3.38Å
271A96.1Very high95Very high54 Ų5494.1 Ų94.145%0.44650%0.5SS..Hα-helixtrans-61.8-39.8177.100000112R267 S268 N274 L275R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.24Å; S268-A271 PolarHBondContact O-N 2.89Å; A271-N274 PolarHBondContact O-N 3.05Å; A271-L275 WeakPolarHBondContact O-CB 3.27Å; A271-L275 PolarHBondContact O-N 3.01Å
272L95.3Very high94.8Very high108 Ų10891.6 Ų91.657%0.56550%0.497SS*.Hα-helixtrans-66.9-42.2176.5-168.3124.9000111.8S268 V269 V270 L275 I276S268-L272 WeakPolarHBondContact O-CB 3.14Å; S268-L272 PolarHBondContact O-N 3.26Å; V269-L272 PolarHBondContact O-N 3Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 2.9Å; L272-L275 WeakPolarHBondContact O-CB 3.35Å; L272-L275 PolarHBondContact O-N 2.95Å; L272-I276 HydrophobicContact CD2-CD1 3.83Å; L272-I276 WeakPolarHBondContact O-CG1 3.17Å; L272-I276 PolarHBondContact O-N 2.82Å
273H95.3Very high94.7Very high106 Ų10693 Ų9349%0.49150%0.495SS..Hα-helixtrans-61.3-44.3174.2-172.173.4000111.7V269 V270 L275 I276 N277V269-H273 PolarHBondContact O-N 3.19Å; V270-H273 PolarHBondContact O-N 2.97Å; H273-L275 VanDerWaalsContact C-N 3.32Å; H273-L275 PolarHBondContact O-N 2.92Å; H273-I276 PolarHBondContact O-N 3.21Å; H273-N277 PolarHBondContact CD2-ND2 3.47Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.38Å; H273-N277 PolarHBondContact O-N 3.18Å
274N94.8Very high94.4Very high82 Ų8294 Ų9444%0.43949%0.494SS..Hα-helixtrans-62.2-38.6174.8-72.4-12.4000112.1V270 A271 N277 N278V270-N274 WeakPolarHBondContact O-CB 3.49Å; V270-N274 PolarHBondContact O-N 3.38Å; A271-N274 PolarHBondContact O-N 3.05Å; N274-N277 PolarHBondContact O-N 2.99Å; N274-N278 WeakPolarHBondContact O-CB 3.05Å; N274-N278 VanDerWaalsContact O-CG 3.27Å; N274-N278 PolarHBondContact O-N 2.86Å
275L95.4Very high94.1Very high115 Ų11594 Ų9460%0.60250%0.497SS*.Hα-helixtrans-64.5-41.2176.1-176.666.2000111.8A271 L272 H273 N278 K279A271-L275 WeakPolarHBondContact O-CB 3.27Å; A271-L275 PolarHBondContact O-N 3.01Å; L272-L275 WeakPolarHBondContact O-CB 3.35Å; L272-L275 PolarHBondContact O-N 2.95Å; H273-L275 VanDerWaalsContact C-N 3.32Å; H273-L275 PolarHBondContact O-N 2.92Å; L275-N278 PolarHBondContact O-N 2.88Å; L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 2.82Å
276I94.5Very high93.8Very high82 Ų8296.7 Ų96.742%0.42151%0.507SS..Hα-helixtrans-61.6-49.2175.1-68.4166.8000109.8L272 H273 N278 K279 I280L272-I276 HydrophobicContact CD2-CD1 3.83Å; L272-I276 WeakPolarHBondContact O-CG1 3.17Å; L272-I276 PolarHBondContact O-N 2.82Å; H273-I276 PolarHBondContact O-N 3.21Å; I276-N278 PolarHBondContact O-N 3.1Å; I276-K279 PolarHBondContact O-N 3.07Å; I276-K279 VanDerWaalsContact O-N 3.16Å; I276-I280 HydrophobicContact CG2-CD1 3.78Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.28Å; I276-I280 PolarHBondContact O-N 3.05Å
277N94.6Very high93.3Very high71 Ų7197.7 Ų97.738%0.3851%0.509SS..Hα-helixtrans-60.6-44.4179-69.7-18.8000111.7H273 N274 K279 I280 A281H273-N277 PolarHBondContact CD2-ND2 3.47Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.38Å; H273-N277 PolarHBondContact O-N 3.18Å; N274-N277 PolarHBondContact O-N 2.99Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.35Å; N277-I280 PolarHBondContact O-N 2.71Å; N277-A281 WeakPolarHBondContact O-CB 3.34Å; N277-A281 PolarHBondContact O-N 2.87Å
278N94.6Very high92.7Very high102 Ų10296.1 Ų96.155%0.54551%0.506SS..Hα-helixtrans-61.6-39.8175.5-76.6-4.9000112N274 L275 I276 A281 N282N274-N278 WeakPolarHBondContact O-CB 3.05Å; N274-N278 VanDerWaalsContact O-CG 3.27Å; N274-N278 PolarHBondContact O-N 2.86Å; L275-N278 PolarHBondContact O-N 2.88Å; I276-N278 PolarHBondContact O-N 3.1Å; N278-A281 PolarHBondContact O-N 3.17Å; N278-N282 WeakPolarHBondContact O-CB 3.33Å; N278-N282 VanDerWaalsContact O-CG 3.25Å; N278-N282 PolarHBondContact O-N 3.38Å; N278-N282 PolarHBondContact O-OD1 2.92Å
279K93.9Very high91.9Very high161 Ų16197.2 Ų97.270%0.750%0.503SS*.Hα-helixtrans-69.6-37.8178.9-165.7174.6-174.8178.30112.3L275 I276 N277 R283L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 2.82Å; I276-K279 PolarHBondContact O-N 3.07Å; I276-K279 VanDerWaalsContact O-N 3.16Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.35Å; K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 2.91Å
280I93.1Very high90.9Very high78 Ų7894.4 Ų94.440%0.449%0.493SS..Hα-helixtrans-64-50.3173.8-66.8167.3000109.6I276 N277 N282 R283 D284I276-I280 HydrophobicContact CG2-CD1 3.78Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.28Å; I276-I280 PolarHBondContact O-N 3.05Å; N277-I280 PolarHBondContact O-N 2.71Å; I280-N282 PolarHBondContact O-N 3.2Å; I280-R283 PolarHBondContact O-N 2.72Å; I280-D284 PolarHBondContact O-N 3.03Å
281A92.9Very high89.8Confident56 Ų5696.5 Ų96.546%0.46350%0.497SS..Hα-helixtrans-58-45.9178.600000112.1N277 N278 D284 A285N277-A281 WeakPolarHBondContact O-CB 3.34Å; N277-A281 PolarHBondContact O-N 2.87Å; N278-A281 PolarHBondContact O-N 3.17Å; A281-D284 PolarHBondContact O-N 3.19Å; A281-A285 WeakPolarHBondContact O-CB 2.84Å; A281-A285 PolarHBondContact O-N 2.75Å
282N91.3Very high88.3Confident106 Ų106100.7 Ų100.757%0.56751%0.508SS*.Hα-helixtrans-64.1-42.8177.3-75.6-0.6000112.1N278 I280 D284 A285 E286N278-N282 WeakPolarHBondContact O-CB 3.33Å; N278-N282 VanDerWaalsContact O-CG 3.25Å; N278-N282 PolarHBondContact O-N 3.38Å; N278-N282 PolarHBondContact O-OD1 2.92Å; I280-N282 PolarHBondContact O-N 3.2Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.31Å; N282-A285 PolarHBondContact O-N 3.4Å; N282-E286 WeakPolarHBondContact O-CB 3.17Å; N282-E286 WeakPolarHBondContact O-CG 3.18Å; N282-E286 PolarHBondContact O-N 2.83Å
283R92.3Very high86.8Confident133 Ų133101.3 Ų101.350%0.50251%0.506SS..Hα-helixtrans-63.7-40.2178.5-170.5-169.171.7175.3-1.2111.7K279 I280 K287K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 2.91Å; I280-R283 PolarHBondContact O-N 2.72Å; R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.49Å
284D89.8Confident85.1Confident68 Ų68102.8 Ų102.836%0.36451%0.513SS..Hα-helixtrans-74.2-31.6179.6-64.8-17.6000111.3I280 A281 N282 K288I280-D284 PolarHBondContact O-N 3.03Å; A281-D284 PolarHBondContact O-N 3.19Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.31Å; D284-K288 WeakPolarHBondContact O-CG 3.34Å; D284-K288 PolarHBondContact O-N 2.95Å; D284-K288 VanDerWaalsContact O-N 3.08Å
285A89.1Confident83.4Confident48 Ų48103.3 Ų103.340%0.39752%0.516SS..Hα-helixtrans-66-46.3169.800000112.2A281 N282 K287 K288 E289A281-A285 WeakPolarHBondContact O-CB 2.84Å; A281-A285 PolarHBondContact O-N 2.75Å; N282-A285 PolarHBondContact O-N 3.4Å; A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 2.87Å; A285-K288 PolarHBondContact O-N 2.89Å; A285-K288 VanDerWaalsContact O-N 3.17Å; A285-E289 PolarHBondContact O-N 3.38Å
286E87.7Confident81.7Confident138 Ų138100.6 Ų100.665%0.64551%0.506SS*.Hα-helixtrans-60-38.9175.6-78.4178.7171.800112.1N282 G290N282-E286 WeakPolarHBondContact O-CB 3.17Å; N282-E286 WeakPolarHBondContact O-CG 3.18Å; N282-E286 PolarHBondContact O-N 2.83Å; E286-G290 PolarHBondContact O-N 3.39Å
287K85.6Confident80Confident116 Ų116103.7 Ų103.750%0.50452%0.517SS..Hα-helixtrans-65.3-42.2175-77.1177.1178.5-175.40112.3R283 A285 G290 Q291R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.49Å; A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 2.87Å; K287-G290 PolarHBondContact O-N 3.38Å; K287-Q291 PolarHBondContact O-N 2.93Å
288K82.8Confident78.3Confident149 Ų149106.8 Ų106.865%0.64853%0.527SS*.Hα-helixtrans-65.5-43.6175.9-78.5-175.3175.6-175.30111.9D284 A285 G290 Q291 E292D284-K288 WeakPolarHBondContact O-CG 3.34Å; D284-K288 PolarHBondContact O-N 2.95Å; D284-K288 VanDerWaalsContact O-N 3.08Å; A285-K288 PolarHBondContact O-N 2.89Å; A285-K288 VanDerWaalsContact O-N 3.17Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.49Å; K288-Q291 PolarHBondContact O-N 3.02Å; K288-E292 PolarHBondContact O-N 3.44Å
289E79.1Confident76.6Confident102 Ų102106.6 Ų106.648%0.47753%0.526SS..Hα-helixtrans-63.1-37.4173.6-79.4-165-169.100112.4A285 K293A285-E289 PolarHBondContact O-N 3.38Å; E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 3.21Å; E289-K293 WeakPolarHBondContact O-CG 3.14Å; E289-K293 PolarHBondContact O-N 3.46Å; E289-K293 IonicContact OE2-NZ 2.98Å; E289-K293 PolarHBondContact OE2-NZ 3.31Å
290G74.4Confident75Confident32 Ų32108.2 Ų108.233%0.3353%0.527SS..Hα-helixtrans-62.5-43.4174.900000112E286 K287 K288 K293 E294E286-G290 PolarHBondContact O-N 3.39Å; K287-G290 PolarHBondContact O-N 3.38Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.49Å; G290-K293 PolarHBondContact O-N 3.43Å; G290-E294 PolarHBondContact O-N 3.17Å
291Q72.1Confident73.4Confident120 Ų120111.7 Ų111.756%0.56154%0.54SS*.Hα-helixtrans-66.5-44.1175.6-78.9179-32.800112.4K287 K288 K293 E294 D295K287-Q291 PolarHBondContact O-N 2.93Å; K288-Q291 PolarHBondContact O-N 3.02Å; Q291-K293 VanDerWaalsContact C-N 3.28Å; Q291-K293 PolarHBondContact O-N 3.22Å; Q291-E294 PolarHBondContact O-N 3.12Å; Q291-E294 VanDerWaalsContact O-N 3.09Å; Q291-D295 WeakPolarHBondContact O-CB 3.39Å; Q291-D295 PolarHBondContact O-N 3.37Å
292E65.1Low71.8Confident142 Ų142114 Ų11466%0.66454%0.541SS*.Hα-helixtrans-61.2-36.3173.7-83.8-174.4152.900112.6K288 E294 S296K288-E292 PolarHBondContact O-N 3.44Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E292-S296 VanDerWaalsContact O-CB 3.28Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E292-S296 PolarHBondContact O-OG 2.89Å
293K64.3Low70.2Confident120 Ų120113.7 Ų113.752%0.52254%0.539SS..Hα-helixtrans-71.3-27.8175.1-75166.5-176.2154.70112.8E289 G290 Q291 S296 K297E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 3.21Å; E289-K293 WeakPolarHBondContact O-CG 3.14Å; E289-K293 PolarHBondContact O-N 3.46Å; E289-K293 IonicContact OE2-NZ 2.98Å; E289-K293 PolarHBondContact OE2-NZ 3.31Å; G290-K293 PolarHBondContact O-N 3.43Å; Q291-K293 VanDerWaalsContact C-N 3.28Å; Q291-K293 PolarHBondContact O-N 3.22Å; K293-S296 WeakPolarHBondContact CA-OG 3.03Å; K293-S296 PolarHBondContact O-OG 3.45Å; K293-K297 WeakPolarHBondContact O-CB 3.26Å; K293-K297 WeakPolarHBondContact O-CG 3.16Å; K293-K297 PolarHBondContact O-N 2.94Å
294E59.6Low68.7Low138 Ų138114.7 Ų114.765%0.64555%0.547SS*.Hα-helixtrans-79.9-41.6173.6-80.5-167.8156.400112.4G290 Q291 E292 K297 K298G290-E294 PolarHBondContact O-N 3.17Å; Q291-E294 PolarHBondContact O-N 3.12Å; Q291-E294 VanDerWaalsContact O-N 3.09Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E294-K297 CarbonylContact O-C 3.59Å; E294-K297 WeakPolarHBondContact O-CB 3.45Å; E294-K297 PolarHBondContact O-N 3.16Å; E294-K298 PolarHBondContact O-N 2.83Å
295D59.7Low67.2Low92 Ų92118 Ų11849%0.49256%0.561SS.*Hα-helixtrans-65.2-44.5176.6-74.4-23.4000110.7Q291 K297 K298 D299Q291-D295 WeakPolarHBondContact O-CB 3.39Å; Q291-D295 PolarHBondContact O-N 3.37Å; D295-K297 VanDerWaalsContact C-N 3.26Å; D295-K297 PolarHBondContact O-N 2.9Å; D295-K298 WeakPolarHBondContact O-CB 3.41Å; D295-K298 PolarHBondContact O-N 3.19Å; D295-D299 PolarHBondContact O-N 3.02Å
296S58.2Low65.8Low58 Ų58121.6 Ų121.641%0.40657%0.567SS.*Hα-helixtrans-63.9-25.8172.5580000114.3E292 K293 R300E292-S296 VanDerWaalsContact O-CB 3.28Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E292-S296 PolarHBondContact O-OG 2.89Å; K293-S296 WeakPolarHBondContact CA-OG 3.03Å; K293-S296 PolarHBondContact O-OG 3.45Å; S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 WeakPolarHBondContact O-CG 3.46Å; S296-R300 PolarHBondContact O-N 2.83Å
297K59.9Low64.4Low147 Ų147120 Ų12064%0.63956%0.563SS**Hα-helixtrans-79-32171.7-87.9178.6-179.3172.50112.6K293 E294 D295 K301K293-K297 WeakPolarHBondContact O-CB 3.26Å; K293-K297 WeakPolarHBondContact O-CG 3.16Å; K293-K297 PolarHBondContact O-N 2.94Å; E294-K297 CarbonylContact O-C 3.59Å; E294-K297 WeakPolarHBondContact O-CB 3.45Å; E294-K297 PolarHBondContact O-N 3.16Å; D295-K297 VanDerWaalsContact C-N 3.26Å; D295-K297 PolarHBondContact O-N 2.9Å; K297-K301 PolarHBondContact O-N 2.76Å; K297-K301 VanDerWaalsContact O-N 3.13Å
298K58.5Low63.1Low136 Ų136120.9 Ų120.959%0.59157%0.567SS**Hα-helixtrans-68.2-46.2172.5-97-178.9175.7175.20110.9E294 D295 R300 K301 E302E294-K298 PolarHBondContact O-N 2.83Å; D295-K298 WeakPolarHBondContact O-CB 3.41Å; D295-K298 PolarHBondContact O-N 3.19Å; K298-R300 VanDerWaalsContact C-N 3.32Å; K298-R300 PolarHBondContact O-N 2.72Å; K298-K301 WeakPolarHBondContact O-CA 3.36Å; K298-K301 WeakPolarHBondContact O-CB 3.33Å; K298-K301 PolarHBondContact O-N 3.46Å; K298-E302 PolarHBondContact O-N 3.22Å
299D58.7Low62Low99 Ų99118.9 Ų118.953%0.52956%0.563SS.*Hα-helixtrans-58.4-44.3175.9-69.6-21000111.4D295 K301 E302 D303D295-D299 PolarHBondContact O-N 3.02Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 2.76Å; D299-E302 PolarHBondContact O-N 2.96Å; D299-D303 PolarHBondContact O-N 3.05Å
300R60.1Low61Low194 Ų194120.3 Ų120.373%0.73257%0.568SS**Hα-helixtrans-66.1-23.8174.2-78.5180175.5-178.21114.6S296 K298 K304S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 WeakPolarHBondContact O-CG 3.46Å; S296-R300 PolarHBondContact O-N 2.83Å; K298-R300 VanDerWaalsContact C-N 3.32Å; K298-R300 PolarHBondContact O-N 2.72Å; R300-K304 WeakPolarHBondContact O-CG 3.47Å
301K59.6Low60.2Low152 Ų152125.4 Ų125.466%0.66158%0.583SS**Hα-helixtrans-82.6-40.3175.1-89.9-176.1175.3-178.30111.2K297 K298 D299 D303 K304 E305K297-K301 PolarHBondContact O-N 2.76Å; K297-K301 VanDerWaalsContact O-N 3.13Å; K298-K301 WeakPolarHBondContact O-CA 3.36Å; K298-K301 WeakPolarHBondContact O-CB 3.33Å; K298-K301 PolarHBondContact O-N 3.46Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 2.76Å; K301-D303 VanDerWaalsContact C-N 3.34Å; K301-K304 PolarHBondContact O-N 3.19Å; K301-E305 PolarHBondContact O-N 3.21Å
302E58.8Low59.5Low104 Ų104126.5 Ų126.549%0.48659%0.586SS.*Hα-helixtrans-63.7-38.6174.7-75.5-167.4-179.300111.9K298 D299 K304 E305 K306K298-E302 PolarHBondContact O-N 3.22Å; D299-E302 PolarHBondContact O-N 2.96Å; E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 3.29Å; E302-E305 PolarHBondContact O-N 2.84Å; E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.3Å; E302-K306 PolarHBondContact O-N 2.93Å
303D58.9Low59.1Low100 Ų100122.3 Ų122.354%0.53557%0.572SS.*Hα-helixtrans-64.3-38.7173.4-83.2-18.8000112.2D299 K301 K306 D307D299-D303 PolarHBondContact O-N 3.05Å; K301-D303 VanDerWaalsContact C-N 3.34Å; D303-K306 PolarHBondContact O-N 3.3Å; D303-D307 PolarHBondContact O-N 3.11Å
304K59.6Low58.8Low154 Ų154120.8 Ų120.867%0.6757%0.57SS**Hα-helixtrans-70.4-30.9175.8-80.3-175.2176.9-175.30113.8R300 K301 E302 K308R300-K304 WeakPolarHBondContact O-CG 3.47Å; K301-K304 PolarHBondContact O-N 3.19Å; E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 3.29Å; K304-K308 WeakPolarHBondContact O-CG 3.33Å; K304-K308 PolarHBondContact O-N 3.46Å
305E59.3Low58.8Low137 Ų137118.2 Ų118.264%0.6456%0.563SS**Hα-helixtrans-74.3-38.7173.4-82-174.3160.600111.6K301 E302 D307 K308 D309K301-E305 PolarHBondContact O-N 3.21Å; E302-E305 PolarHBondContact O-N 2.84Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.48Å; E305-K308 PolarHBondContact O-N 3.46Å; E305-D309 PolarHBondContact O-N 2.88Å
306K59Low58.6Low123 Ų123121.1 Ų121.154%0.53557%0.572SS.*Hα-helixtrans-62.1-37.1173.3-74.9172.1-173.7161.50112.8E302 D303 K310E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.3Å; E302-K306 PolarHBondContact O-N 2.93Å; D303-K306 PolarHBondContact O-N 3.3Å; K306-K310 PolarHBondContact O-N 3.35Å; K306-K310 VanDerWaalsContact O-N 3.11Å
307D58.7Low58.6Low104 Ų104124.9 Ų124.956%0.55658%0.581SS**Hα-helixtrans-69.3-38.7174.1-88.9-16.5000112.7D303 E305 K310 E311D303-D307 PolarHBondContact O-N 3.11Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.48Å; D307-K310 PolarHBondContact O-N 2.89Å; D307-E311 PolarHBondContact O-N 3.33Å
308K59.3Low58.3Low136 Ų136124.7 Ų124.759%0.59158%0.582SS**Hα-helixtrans-68.2-34.5175.7-79.5-176.9176.2-177.10113.5K304 E305 K312K304-K308 WeakPolarHBondContact O-CG 3.33Å; K304-K308 PolarHBondContact O-N 3.46Å; E305-K308 PolarHBondContact O-N 3.46Å; K308-K312 PolarHBondContact O-N 3.35Å
309D58.8Low58.1Low107 Ų107124.7 Ų124.757%0.57258%0.584SS**Hα-helixtrans-73.9-30.3175.3-88.4-15.6000112.2E305 S313E305-D309 PolarHBondContact O-N 2.88Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.29Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 PolarHBondContact O-OG 3.32Å
310K58.2Low57.9Low132 Ų132128 Ų12857%0.57459%0.594SS**Hα-helixtrans-63.1-49.6167.7-83.4180-179.9171.80111.7K306 D307 K312 S313 D314K306-K310 PolarHBondContact O-N 3.35Å; K306-K310 VanDerWaalsContact O-N 3.11Å; D307-K310 PolarHBondContact O-N 2.89Å; K310-K312 PolarHBondContact O-N 3.12Å; K310-S313 PolarHBondContact O-N 3.2Å; K310-S313 PolarHBondContact O-OG 3.02Å; K310-D314 PolarHBondContact O-N 3.07Å
311E57.1Low57.7Low138 Ų138127.1 Ų127.165%0.64560%0.595SS**Hα-helixtrans-57.6-44.4176.3-83.1-175.9153.100112.3D307 S313 D314 V315D307-E311 PolarHBondContact O-N 3.33Å; E311-S313 VanDerWaalsContact C-N 3.3Å; E311-S313 PolarHBondContact O-N 3.1Å; E311-D314 PolarHBondContact O-N 3.4Å; E311-V315 VanDerWaalsContact O-CG2 3.31Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.36Å
312K58.6Low57.3Low144 Ų144128.4 Ų128.463%0.62660%0.604SS**Hα-helixtrans-65.6-31.8175.8-78.7-179.8179.8173.10113.4K308 K310 K316K308-K312 PolarHBondContact O-N 3.35Å; K310-K312 PolarHBondContact O-N 3.12Å; K312-K316 PolarHBondContact O-N 3.42Å
313S57Low57Low53 Ų53132.6 Ų132.637%0.37162%0.62SS.*Hα-helixtrans-73.9-31.7177.278.50000112.6D309 K310 E311 K317D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.29Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 PolarHBondContact O-OG 3.32Å; K310-S313 PolarHBondContact O-N 3.2Å; K310-S313 PolarHBondContact O-OG 3.02Å; E311-S313 VanDerWaalsContact C-N 3.3Å; E311-S313 PolarHBondContact O-N 3.1Å; S313-K317 WeakPolarHBondContact O-CG 3.46Å; S313-K317 PolarHBondContact O-N 3.01Å
314D57.6Low56.2Low88 Ų88140 Ų14047%0.47165%0.648SS.*Hα-helixtrans-76.7-39.6176.1-74.7-29.8000111.6K310 E311 K316 K317 E318K310-D314 PolarHBondContact O-N 3.07Å; E311-D314 PolarHBondContact O-N 3.4Å; D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.49Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 PolarHBondContact O-N 2.87Å; D314-E318 PolarHBondContact O-N 2.91Å
315V58.1Low56.1Low84 Ų84139.3 Ų139.351%0.50965%0.647SS.*Hα-helixtrans-61.2-39.5171.9175.50000111.6E311 K317 E318 E319E311-V315 VanDerWaalsContact O-CG2 3.31Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.36Å; V315-K317 VanDerWaalsContact C-N 3.3Å; V315-K317 PolarHBondContact O-N 3.24Å; V315-E318 PolarHBondContact O-N 3.01Å; V315-E319 PolarHBondContact O-N 3.31Å; V315-E319 VanDerWaalsContact O-N 3.11Å
316K56.9Low55.9Low154 Ų154139.4 Ų139.467%0.6765%0.647SS**Hα-helixtrans-69.7-22.3173.8-88.8-177.4175.9175.80114.1K312 D314K312-K316 PolarHBondContact O-N 3.42Å; D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.49Å
317K57.3Low55.7Low137 Ų137140.3 Ų140.360%0.59665%0.653SS**Hα-helixtrans-81.5-32.9174.2-84.5176.7-178.9167.80111.7S313 D314 V315 K321S313-K317 WeakPolarHBondContact O-CG 3.46Å; S313-K317 PolarHBondContact O-N 3.01Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 PolarHBondContact O-N 2.87Å; V315-K317 VanDerWaalsContact C-N 3.3Å; V315-K317 PolarHBondContact O-N 3.24Å; K317-K321 PolarHBondContact O-N 3.46Å
318E54.1Low55.5Low143 Ų143142.5 Ų142.567%0.66866%0.659SS**Hα-helixtrans-69.2-45.5173.3-76.2-172.4150.700111.9D314 V315 K320 K321 E322D314-E318 PolarHBondContact O-N 2.91Å; V315-E318 PolarHBondContact O-N 3.01Å; E318-K320 PolarHBondContact O-N 3.07Å; E318-K320 VanDerWaalsContact O-N 3.15Å; E318-K321 PolarHBondContact O-N 2.94Å; E318-E322 PolarHBondContact O-N 2.81Å
319E53.9Low55.3Low135 Ų135142.9 Ų142.963%0.63166%0.663SS**THydrogen-bonded Turntrans-62.6-24.7176.4-76.7-172.1155.700113.7V315V315-E319 PolarHBondContact O-N 3.31Å; V315-E319 VanDerWaalsContact O-N 3.11Å
320K55.4Low55.1Low170 Ų170145.3 Ų145.374%0.73967%0.669SS**THydrogen-bonded Turntrans-82.5-15.8174.4-86.6-173.7176.4-178.70113.9E318E318-K320 PolarHBondContact O-N 3.07Å; E318-K320 VanDerWaalsContact O-N 3.15Å
321K55Low54.8Low175 Ų175146.2 Ų146.276%0.76168%0.676SS**THydrogen-bonded Turntrans-87.5-23.9176.6-87.7-176.3174.2-179.60113.3K317 E318K317-K321 PolarHBondContact O-N 3.46Å; E318-K321 PolarHBondContact O-N 2.94Å
322E51.3Low54.7Low178 Ų178146.8 Ų146.883%0.83268%0.678SS**THydrogen-bonded Turntrans-82.5-10.1175.9-77.5-170.7148.300114.5E318E318-E322 PolarHBondContact O-N 2.81Å
323K53Low54.3Low192 Ų192147.1 Ų147.184%0.83568%0.683SS**THydrogen-bonded Turntrans-103.824.9178.4-81-173.5177.5174.80114.4
324K42.4Very low54.1Low256 Ų256155.6 Ų155.6100%1.11371%0.711SS**  trans-1340176.7-125.9-173.7-177.3-172.30113.4

Retrieved 324 of 324 residues in 1802.2 ms (Link to these results)