A0A087YHS7_POEFO Loading...

26S proteasome non-ATPase regulatory subunit 7

AlphaFold DB , UniProt , Accession A0A087YHS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low69.2Low232 Ų23276.8 Ų76.8100%1.14341%0.406SS*.  0124.30-68.3-178.7174.500106.3E3M1-E3 PolarHBondContact O-N 3.01Å
2P40Very low71.2Confident122 Ų12272 Ų7279%0.79238%0.38SS*.  trans-61131.5168.725.2-25.2000107L4P2-L4 VanDerWaalsContact C-N 3.34Å; P2-L4 PolarHBondContact O-N 3.33Å
3E40.3Very low72.7Confident193 Ų19368.8 Ų68.890%0.90237%0.366SS*.  trans-62.898.2174.4-76.3-170.3144.400108.1M1 A5M1-E3 PolarHBondContact O-N 3.01Å; E3-A5 PolarHBondContact O-N 3.01Å
4L56.1Low74Confident82 Ų8269.5 Ų69.543%0.42937%0.369SS..  trans-57111.6160.5-82.7157000106.1P2 V6 I139P2-L4 VanDerWaalsContact C-N 3.34Å; P2-L4 PolarHBondContact O-N 3.33Å; L4-V6 PolarHBondContact O-N 3.45Å; L4-I139 HydrophobicContact CD2-CG2 4.24Å
5A65.4Low75.2Confident38 Ų3864.9 Ų64.931%0.31434%0.344SS..SBendtrans-60.2-30.8-179.600000110.9E3 W43 N118E3-A5 PolarHBondContact O-N 3.01Å; A5-W43 HydrophobicContact CB-CH2 4.3Å; A5-W43 HydrophobicContact CB-CZ2 3.95Å; A5-W43 VanDerWaalsContact O-CZ2 3.22Å; A5-W43 WeakPolarHBondContact O-CZ2 3.31Å; A5-N118 WeakPolarHBondContact CB-ND2 3.34Å
6V74.9Confident76.1Confident1 Ų162.8 Ų62.81%0.00633%0.333CS..  trans-118.9128.3179.1-171.10000109.6L4 N8 V9 W43 L48 V120 V158L4-V6 PolarHBondContact O-N 3.45Å; V6-N8 WeakPolarHBondContact CG1-O 3.45Å; V6-V9 HydrophobicContact CG1-CG2 3.77Å; V6-W43 HydrophobicContact CB-CH2 4.38Å; V6-W43 HydrophobicContact CB-CZ2 4.4Å; V6-W43 HydrophobicContact CG2-CH2 2.98Å; V6-W43 HydrophobicContact CG2-CZ2 3.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.78Å; V6-L48 HydrophobicContact CG1-CB 3.99Å; V6-V120 HydrophobicContact CG2-CG2 4.09Å; V6-V158 HydrophobicContact CG1-CG1 4.24Å
7E83.7Confident76.9Confident112 Ų11266.3 Ų66.352%0.52335%0.351SS..SBendtrans-99.9-40.9173.6-167.5169.9169.300110.8K46 V158 T159E7-K46 HydrophobicContact CB-CB 4.18Å; E7-K46 PolarHBondContact N-O 3.17Å; E7-K46 WeakPolarHBondContact OE2-CD 3.43Å; E7-K46 IonicContact OE2-NZ 3.83Å; E7-V158 WeakPolarHBondContact O-CG1 3.32Å; E7-T159 PolarHBondContact O-OG1 3.18Å
8N88.8Confident77.7Confident51 Ų5164.6 Ų64.627%0.27335%0.346SS..EExtended strand (participates in β ladder)trans-135.1144.8178.7-74.7-18.1000111.4V6 V47 L48 T159V6-N8 WeakPolarHBondContact CG1-O 3.45Å; N8-V47 HydrophobicContact CB-CG1 4.47Å; N8-V47 HydrophobicContact CB-CG2 4.5Å; N8-V47 WeakPolarHBondContact O-CA 3.41Å; N8-L48 PolarHBondContact O-N 3.41Å; N8-T159 WeakPolarHBondContact CA-O 3.49Å; N8-T159 WeakPolarHBondContact OD1-CB 3.46Å; N8-T159 PolarHBondContact OD1-OG1 2.86Å
9V91.4Very high78.4Confident0 Ų061.2 Ų61.20%033%0.328CS..EExtended strand (participates in β ladder)trans-114.3120.9173-178.10000109V6 V11 L48 V50 V120 V122 A137 V158 T159 S160 E161V6-V9 HydrophobicContact CG1-CG2 3.77Å; V9-V11 HydrophobicContact CG1-CG2 4.13Å; V9-L48 HydrophobicContact CG1-CD2 4.21Å; V9-L48 HydrophobicContact CG2-CB 4.34Å; V9-L48 HydrophobicContact CG2-CD2 4.26Å; V9-V50 HydrophobicContact CG1-CG2 3.98Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; V9-V122 HydrophobicContact CG1-CG2 4.4Å; V9-A137 HydrophobicContact CB-CB 3.93Å; V9-A137 HydrophobicContact CG1-CB 4.29Å; V9-A137 HydrophobicContact CG2-CB 3.82Å; V9-V158 HydrophobicContact CG2-CG1 4.17Å; V9-T159 PolarHBondContact N-O 3.4Å; V9-S160 WeakPolarHBondContact O-CA 3.42Å; V9-E161 PolarHBondContact O-N 3.43Å
10V93.2Very high78.9Confident12 Ų1260.9 Ų60.97%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-104.4117.4178.1-1770000108.1V47 L48 D49 V50 E161V10-V47 HydrophobicContact CG2-CG1 3.49Å; V10-V47 VanDerWaalsContact CG2-CG1 3.49Å; V10-L48 PolarHBondContact N-O 2.88Å; V10-D49 WeakPolarHBondContact CB-OD1 3.27Å; V10-V50 WeakPolarHBondContact O-CB 3.31Å; V10-V50 PolarHBondContact O-N 2.97Å; V10-E161 WeakPolarHBondContact CA-O 3.45Å; V10-E161 HydrophobicContact CB-CG 4.44Å; V10-E161 HydrophobicContact CG2-CG 3.81Å; V10-E161 WeakPolarHBondContact CG2-OE1 3.45Å
11V92.6Very high79.4Confident2 Ų261.3 Ų61.31%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-105.2124.3179.3-175.70000109.9V9 V15 L16 V50 V122 T135 E161 I162 G163V9-V11 HydrophobicContact CG1-CG2 4.13Å; V11-V15 HydrophobicContact CG1-CB 4.03Å; V11-V15 HydrophobicContact CG1-CG1 4.07Å; V11-L16 HydrophobicContact CG1-CD2 4.11Å; V11-L16 HydrophobicContact CG1-CG 4.37Å; V11-V50 HydrophobicContact CG2-CG2 4.5Å; V11-V122 HydrophobicContact CG2-CG1 4.34Å; V11-T135 HydrophobicContact CB-CG2 4.4Å; V11-T135 HydrophobicContact CG1-CG2 4.34Å; V11-T135 HydrophobicContact CG2-CG2 4.41Å; V11-E161 PolarHBondContact N-O 3.42Å; V11-I162 WeakPolarHBondContact O-CA 3.49Å; V11-I162 WeakPolarHBondContact O-CG2 3.46Å; V11-G163 PolarHBondContact O-N 3.36Å
12H92.8Very high81.8Confident19 Ų1951.2 Ų51.29%0.08828%0.28CS..  trans-74.5143176.4-76.9-145.5000112.3L14 V15 V50 G163 E168H12-L14 PolarHBondContact O-N 3.45Å; H12-L14 VanDerWaalsContact O-N 3.12Å; H12-V15 WeakPolarHBondContact O-CB 3.48Å; H12-V15 PolarHBondContact O-N 3.43Å; H12-V50 WeakPolarHBondContact CB-O 3.36Å; H12-V50 PolarHBondContact CD2-O 2.93Å; H12-V50 PolarHBondContact N-O 3.23Å; H12-V50 VanDerWaalsContact N-O 3.09Å; H12-G163 WeakPolarHBondContact CA-O 3.07Å; H12-E168 IonicContact CG-OE1 2.75Å; H12-E168 IonicContact CG-OE2 3.79Å; H12-E168 IonicContact ND1-OE1 2.7Å; H12-E168 PolarHBondContact ND1-OE1 3.17Å; H12-E168 IonicContact ND1-OE2 3.03Å
13P90.9Very high84Confident31 Ų3147.5 Ų47.520%0.20125%0.251CS..Hα-helixtrans-52.7-30.6174.3-29.532.9000114.6V15 L16 L17 I162 G163 A164 E168 V172P13-V15 VanDerWaalsContact C-N 3.29Å; P13-V15 PolarHBondContact O-N 3.45Å; P13-L16 PolarHBondContact O-N 3.33Å; P13-L17 PolarHBondContact O-N 2.97Å; P13-I162 HydrophobicContact CG-CG2 4.05Å; P13-G163 WeakPolarHBondContact CD-O 3.38Å; P13-A164 HydrophobicContact CG-CB 4.36Å; P13-E168 WeakPolarHBondContact CD-OE2 3.46Å; P13-V172 HydrophobicContact CB-CG2 4.03Å; P13-V172 HydrophobicContact CG-CG2 4.37Å
14L91.3Very high86.2Confident78 Ų7842.3 Ų42.341%0.40823%0.23SC..Hα-helixtrans-58.1-41.5175.9-173.8150.2000112.1H12 L17 S18H12-L14 PolarHBondContact O-N 3.45Å; H12-L14 VanDerWaalsContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 3.25Å; L14-S18 WeakPolarHBondContact O-CB 3.2Å; L14-S18 PolarHBondContact O-N 3.31Å
15V91.7Very high87.7Confident0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-62.6-45.8177.6174.90000110.1V11 H12 P13 L17 S18 V19 L39 V50 I124V11-V15 HydrophobicContact CG1-CB 4.03Å; V11-V15 HydrophobicContact CG1-CG1 4.07Å; H12-V15 WeakPolarHBondContact O-CB 3.48Å; H12-V15 PolarHBondContact O-N 3.43Å; P13-V15 VanDerWaalsContact C-N 3.29Å; P13-V15 PolarHBondContact O-N 3.45Å; V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.95Å; V15-S18 WeakPolarHBondContact O-CB 3.27Å; V15-S18 PolarHBondContact O-N 3.27Å; V15-V19 HydrophobicContact CG1-CG2 4.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.08Å; V15-V19 PolarHBondContact O-N 3.47Å; V15-L39 HydrophobicContact CG1-CD2 3.94Å; V15-V50 HydrophobicContact CG1-CG1 4.46Å; V15-V50 HydrophobicContact CG2-CG1 3.99Å; V15-I124 HydrophobicContact CG1-CD1 4.29Å
16L90.1Very high88.4Confident31 Ų3146.5 Ų46.516%0.16224%0.235CC..Hα-helixtrans-60.2-44.1178.4-58.2-179.7000111.7V11 P13 V19 V20 I124 T135 I162V11-L16 HydrophobicContact CG1-CD2 4.11Å; V11-L16 HydrophobicContact CG1-CG 4.37Å; P13-L16 PolarHBondContact O-N 3.33Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.49Å; L16-I124 HydrophobicContact CD2-CD1 4.17Å; L16-I124 HydrophobicContact CD2-CG1 4.34Å; L16-I124 HydrophobicContact CD2-CG2 3.91Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; L16-I162 HydrophobicContact CD1-CD1 3.98Å; L16-I162 HydrophobicContact CD1-CG1 4.42Å
17L89.1Confident88.3Confident123 Ų12348 Ų4864%0.64425%0.251SS*.Hα-helixtrans-64.5-41.7177.2-17167.4000111.6P13 L14 V15 V19 V20 D21P13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 3.25Å; V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.95Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.91Å; L17-V20 PolarHBondContact O-N 2.97Å; L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.39Å
18S91.1Very high88Confident36 Ų3651.4 Ų51.425%0.25226%0.264SS..Hα-helixtrans-61-42.5176.4-174.20000111.7L14 V15 D21 H22 S53L14-S18 WeakPolarHBondContact O-CB 3.2Å; L14-S18 PolarHBondContact O-N 3.31Å; V15-S18 WeakPolarHBondContact O-CB 3.27Å; V15-S18 PolarHBondContact O-N 3.27Å; S18-D21 PolarHBondContact O-N 2.81Å; S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.3Å; S18-S53 PolarHBondContact OG-O 2.93Å
19V90.3Very high86.9Confident0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-65.9-43.7178.2175.70000111.8V15 L16 L17 H22 F23 Y95 T97 I124V15-V19 HydrophobicContact CG1-CG2 4.25Å; V15-V19 WeakPolarHBondContact O-CG2 3.08Å; V15-V19 PolarHBondContact O-N 3.47Å; L16-V19 PolarHBondContact O-N 2.99Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.91Å; V19-H22 PolarHBondContact O-N 3.33Å; V19-F23 PolarHBondContact O-N 2.94Å; V19-Y95 HydrophobicContact CB-CD2 4.48Å; V19-Y95 HydrophobicContact CB-CE2 4.02Å; V19-Y95 HydrophobicContact CG1-CD2 4.01Å; V19-Y95 HydrophobicContact CG1-CE2 3.72Å; V19-Y95 HydrophobicContact CG2-CD2 3.67Å; V19-Y95 HydrophobicContact CG2-CE1 4.25Å; V19-Y95 HydrophobicContact CG2-CE2 3.37Å; V19-Y95 HydrophobicContact CG2-CG 4.22Å; V19-T97 HydrophobicContact CG1-CG2 3.29Å; V19-I124 HydrophobicContact CB-CD1 4.21Å; V19-I124 HydrophobicContact CB-CG2 4.42Å; V19-I124 HydrophobicContact CG1-CB 4.12Å; V19-I124 HydrophobicContact CG1-CD1 4.21Å; V19-I124 HydrophobicContact CG1-CG2 3.94Å; V19-I124 HydrophobicContact CG2-CD1 3.48Å; V19-I124 VanDerWaalsContact CG2-CD1 3.48Å
20V88.3Confident85.3Confident55 Ų5559 Ų5933%0.33332%0.319SS..Hα-helixtrans-65-41.8176.7172.10000111.1L16 L17 F23 N24L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.49Å; L17-V20 PolarHBondContact O-N 2.97Å; V20-F23 PolarHBondContact O-N 3.23Å; V20-N24 WeakPolarHBondContact O-CB 3.37Å; V20-N24 VanDerWaalsContact O-CG 3.31Å; V20-N24 PolarHBondContact O-N 3.42Å; V20-N24 PolarHBondContact O-ND2 3.31Å
21D89.4Confident83.8Confident69 Ų6961.6 Ų61.637%0.36933%0.332SS..Hα-helixtrans-62-44.9174.3-178.862.5000111.4L17 S18 F23 N24 R25L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.39Å; S18-D21 PolarHBondContact O-N 2.81Å; D21-F23 PolarHBondContact O-N 3.31Å; D21-N24 PolarHBondContact O-N 3.33Å; D21-R25 WeakPolarHBondContact O-CG 3.34Å; D21-R25 PolarHBondContact O-N 2.94Å; D21-R25 IonicContact OD1-NE 2.68Å; D21-R25 IonicContact OD1-NH2 2.75Å; D21-R25 IonicContact OD2-CZ 3.72Å; D21-R25 IonicContact OD2-NE 3.51Å; D21-R25 PolarHBondContact OD2-NE 3.46Å; D21-R25 IonicContact OD2-NH2 2.89Å; D21-R25 PolarHBondContact OD2-NH2 3.02Å
22H87.1Confident82.5Confident21 Ų2169.3 Ų69.310%0.09737%0.368CS..Hα-helixtrans-58.7-47.5176.9-174.8-166.6000111.7S18 V19 N24 R25 I26 V35 A55 Y95S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.3Å; V19-H22 PolarHBondContact O-N 3.33Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 2.92Å; H22-R25 PolarHBondContact O-N 3.48Å; H22-I26 WeakPolarHBondContact NE2-CD1 3.33Å; H22-I26 PolarHBondContact O-N 3.04Å; H22-V35 WeakPolarHBondContact CE1-CG1 3.45Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.29Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.38Å; H22-A55 WeakPolarHBondContact CE1-CA 3.46Å; H22-A55 WeakPolarHBondContact CE1-CB 3.41Å; H22-A55 VanDerWaalsContact ND1-CB 3.29Å; H22-A55 WeakPolarHBondContact ND1-CB 3.29Å; H22-A55 WeakPolarHBondContact NE2-CB 3.5Å; H22-Y95 PolarHBondContact ND1-OH 2.83Å
23F85.9Confident81.6Confident43 Ų4370.2 Ų70.219%0.18937%0.372CS..Hα-helixtrans-59.1-41.9176.1-175.8-94.8000112.1V19 V20 D21 R25 I26 G27 V35 V126V19-F23 PolarHBondContact O-N 2.94Å; V20-F23 PolarHBondContact O-N 3.23Å; D21-F23 PolarHBondContact O-N 3.31Å; F23-R25 PolarHBondContact O-N 3.45Å; F23-I26 PolarHBondContact O-N 3.48Å; F23-G27 PolarHBondContact O-N 3.17Å; F23-V35 HydrophobicContact CD2-CG2 4.09Å; F23-V126 HydrophobicContact CB-CG1 3.97Å; F23-V126 HydrophobicContact CB-CG2 4.15Å; F23-V126 HydrophobicContact CD1-CB 4.3Å; F23-V126 HydrophobicContact CD1-CG1 3.42Å; F23-V126 VanDerWaalsContact CD1-CG1 3.42Å; F23-V126 HydrophobicContact CD2-CB 4.45Å; F23-V126 HydrophobicContact CD2-CG1 4.33Å; F23-V126 HydrophobicContact CD2-CG2 3.96Å; F23-V126 HydrophobicContact CE1-CG1 3.91Å; F23-V126 HydrophobicContact CE2-CG2 4.49Å; F23-V126 HydrophobicContact CG-CB 4.24Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.96Å
24N87.1Confident81.2Confident85 Ų8569.9 Ų69.946%0.45537%0.366SS..Hα-helixtrans-67.8-32.4178.4-74.7-32.5000113.3V20 D21 H22 K28V20-N24 WeakPolarHBondContact O-CB 3.37Å; V20-N24 VanDerWaalsContact O-CG 3.31Å; V20-N24 PolarHBondContact O-N 3.42Å; V20-N24 PolarHBondContact O-ND2 3.31Å; D21-N24 PolarHBondContact O-N 3.33Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 2.92Å; N24-K28 WeakPolarHBondContact O-CG 3.35Å; N24-K28 PolarHBondContact O-N 3.28Å
25R86.2Confident81Confident160 Ų16066.3 Ų66.360%0.60435%0.348SS*.Hα-helixtrans-67.2-45175.5-70.4179.7-164.2-140.77.4111.6D21 H22 F23 K28D21-R25 WeakPolarHBondContact O-CG 3.34Å; D21-R25 PolarHBondContact O-N 2.94Å; D21-R25 IonicContact OD1-NE 2.68Å; D21-R25 IonicContact OD1-NH2 2.75Å; D21-R25 IonicContact OD2-CZ 3.72Å; D21-R25 IonicContact OD2-NE 3.51Å; D21-R25 PolarHBondContact OD2-NE 3.46Å; D21-R25 IonicContact OD2-NH2 2.89Å; D21-R25 PolarHBondContact OD2-NH2 3.02Å; H22-R25 PolarHBondContact O-N 3.48Å; F23-R25 PolarHBondContact O-N 3.45Å; R25-K28 PolarHBondContact O-N 3.35Å
26I81.3Confident81Confident47 Ų4766.4 Ų66.424%0.24135%0.349CS..Hα-helixtrans-70-38.2178.1-67.7173.6000110.8H22 F23 K28 I29 V35H22-I26 WeakPolarHBondContact NE2-CD1 3.33Å; H22-I26 PolarHBondContact O-N 3.04Å; F23-I26 PolarHBondContact O-N 3.48Å; I26-K28 PolarHBondContact O-N 2.97Å; I26-K28 VanDerWaalsContact O-N 3.13Å; I26-I29 WeakPolarHBondContact O-CB 3.34Å; I26-I29 PolarHBondContact O-N 3.4Å; I26-V35 HydrophobicContact CB-CG2 4.34Å; I26-V35 HydrophobicContact CD1-CB 4.21Å; I26-V35 HydrophobicContact CD1-CG1 3.61Å; I26-V35 HydrophobicContact CD1-CG2 3.55Å; I26-V35 HydrophobicContact CG2-CG2 4.4Å
27G72.4Confident81.1Confident33 Ų3365 Ų6534%0.3434%0.341SS..Hα-helixtrans-58.7-26.8177.700000114.3F23 I29 G30F23-G27 PolarHBondContact O-N 3.17Å; G27-I29 VanDerWaalsContact C-N 3.29Å; G27-I29 PolarHBondContact O-N 2.96Å; G27-G30 PolarHBondContact O-N 3.05Å
28K76.1Confident81.3Confident183 Ų18359.2 Ų59.280%0.79631%0.311SS*.THydrogen-bonded Turntrans-71.6-21.9174.5-71174.2-174.9178.50113.7N24 R25 I26 G30N24-K28 WeakPolarHBondContact O-CG 3.35Å; N24-K28 PolarHBondContact O-N 3.28Å; R25-K28 PolarHBondContact O-N 3.35Å; I26-K28 PolarHBondContact O-N 2.97Å; I26-K28 VanDerWaalsContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.47Å
29I67.3Low81.4Confident144 Ų14457.6 Ų57.674%0.73830%0.3SS*.THydrogen-bonded Turntrans-83.8-3.5-178.3-60.5167.8000110.7I26 G27I26-I29 WeakPolarHBondContact O-CB 3.34Å; I26-I29 PolarHBondContact O-N 3.4Å; G27-I29 VanDerWaalsContact C-N 3.29Å; G27-I29 PolarHBondContact O-N 2.96Å
30G56.5Low81.5Confident67 Ų6757.6 Ų57.669%0.69130%0.3SS*.THydrogen-bonded Turntrans92.70.5172.700000114.5G27 K28G27-G30 PolarHBondContact O-N 3.05Å; K28-G30 PolarHBondContact O-N 3.47Å
31N61.7Low81.6Confident66 Ų6655 Ų5535%0.35328%0.284SS..  trans-107.1105.8177-125.8-8.1000109.8K33N31-K33 HydrophobicContact CB-CG 4.16Å; N31-K33 VanDerWaalsContact CG-CE 3.49Å; N31-K33 VanDerWaalsContact ND2-CD 3.31Å; N31-K33 WeakPolarHBondContact ND2-CD 3.39Å; N31-K33 WeakPolarHBondContact ND2-CE 3.46Å; N31-K33 PolarHBondContact O-N 3.09Å; N31-K33 WeakPolarHBondContact OD1-CE 3.39Å; N31-K33 WeakPolarHBondContact OD1-CG 3.31Å
32Q65.6Low81.6Confident164 Ų16453.2 Ų53.277%0.76628%0.277SS*.  trans-79.750.3168.9-69.8-161.5-20.100110.7
33K74.8Confident81.5Confident38 Ų3856.2 Ų56.217%0.16529%0.287CS..  trans-82.4158.8178.8-71.7-168.8176.7-161.70111.1N31 V35 E60 D62N31-K33 HydrophobicContact CB-CG 4.16Å; N31-K33 VanDerWaalsContact CG-CE 3.49Å; N31-K33 VanDerWaalsContact ND2-CD 3.31Å; N31-K33 WeakPolarHBondContact ND2-CD 3.39Å; N31-K33 WeakPolarHBondContact ND2-CE 3.46Å; N31-K33 PolarHBondContact O-N 3.09Å; N31-K33 WeakPolarHBondContact OD1-CE 3.39Å; N31-K33 WeakPolarHBondContact OD1-CG 3.31Å; K33-V35 PolarHBondContact O-N 3.42Å; K33-E60 PolarHBondContact NZ-O 3.09Å; K33-D62 VanDerWaalsContact CE-CG 3.48Å; K33-D62 WeakPolarHBondContact CE-OD1 3.25Å; K33-D62 WeakPolarHBondContact CE-OD2 3.43Å; K33-D62 IonicContact NZ-OD1 3.13Å; K33-D62 IonicContact NZ-OD2 3.55Å; K33-D62 PolarHBondContact NZ-OD2 2.9Å
34R82.3Confident81.3Confident24 Ų2459.7 Ų59.79%0.09130%0.304CS..  trans-59134.2168.7-176.5-177.596.2175.625.9108.8E60 H96 T97 D105R34-E60 IonicContact NE-OE2 3.11Å; R34-H96 HydrophobicContact CG-CB 4.07Å; R34-T97 WeakPolarHBondContact CG-O 3.47Å; R34-D105 IonicContact CZ-OD1 3.82Å; R34-D105 IonicContact NH1-OD1 3.97Å; R34-D105 PolarHBondContact NH1-OD1 3.28Å; R34-D105 IonicContact NH1-OD2 2.72Å; R34-D105 IonicContact NH2-OD1 4Å; R34-D105 PolarHBondContact NH2-OD1 3.38Å
35V87.3Confident81Confident4 Ų465.1 Ų65.12%0.02432%0.323CS..  trans-105.7135.7178.4-176.70000108.3H22 F23 I26 K33 H96 T97H22-V35 WeakPolarHBondContact CE1-CG1 3.45Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.29Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.38Å; F23-V35 HydrophobicContact CD2-CG2 4.09Å; I26-V35 HydrophobicContact CB-CG2 4.34Å; I26-V35 HydrophobicContact CD1-CB 4.21Å; I26-V35 HydrophobicContact CD1-CG1 3.61Å; I26-V35 HydrophobicContact CD1-CG2 3.55Å; I26-V35 HydrophobicContact CG2-CG2 4.4Å; K33-V35 PolarHBondContact O-N 3.42Å; V35-H96 CarbonylContact O-C 3.51Å; V35-H96 WeakPolarHBondContact O-CA 3.46Å; V35-T97 HydrophobicContact CB-CG2 4.19Å; V35-T97 VanDerWaalsContact CB-OG1 3.22Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 3.08Å; V35-T97 PolarHBondContact O-N 2.95Å; V35-T97 PolarHBondContact O-OG1 3.28Å
36V90.7Very high80.9Confident2 Ų263.1 Ų63.11%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-115.3143.1177.1175.80000108.8V56 F58 L70 W94 Y95 H96V36-V56 PolarHBondContact O-N 2.97Å; V36-F58 HydrophobicContact CB-CB 3.91Å; V36-F58 HydrophobicContact CB-CD1 4.06Å; V36-F58 HydrophobicContact CB-CD2 4.11Å; V36-F58 HydrophobicContact CB-CG 3.75Å; V36-F58 HydrophobicContact CG2-CB 4.37Å; V36-F58 HydrophobicContact CG2-CD1 3.56Å; V36-F58 HydrophobicContact CG2-CD2 3.96Å; V36-F58 HydrophobicContact CG2-CE1 3.72Å; V36-F58 HydrophobicContact CG2-CE2 4.11Å; V36-F58 HydrophobicContact CG2-CG 3.69Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V36-L70 HydrophobicContact CG1-CD1 4.45Å; V36-W94 HydrophobicContact CG1-CE3 3.77Å; V36-W94 HydrophobicContact CG1-CZ3 4.13Å; V36-W94 HydrophobicContact CG2-CZ3 4.3Å; V36-Y95 WeakPolarHBondContact CA-O 3.47Å; V36-H96 HydrophobicContact CG2-CB 3.99Å
37G92.1Very high81.2Confident0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-151.2170.4172.500000111.8F54 W94 Y95G37-F54 CarbonylContact C-O 3.4Å; G37-F54 VanDerWaalsContact CA-O 3.29Å; G37-F54 WeakPolarHBondContact CA-O 3.44Å; G37-W94 CarbonylContact O-C 3.54Å; G37-W94 VanDerWaalsContact O-CA 3.29Å; G37-W94 WeakPolarHBondContact O-CA 3.31Å; G37-W94 VanDerWaalsContact O-CB 3.29Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; G37-Y95 VanDerWaalsContact C-CD1 3.45Å; G37-Y95 PolarHBondContact N-O 2.95Å; G37-Y95 WeakPolarHBondContact O-CD1 3.48Å; G37-Y95 PolarHBondContact O-N 3.41Å
38V93.3Very high82.1Confident3 Ų361.5 Ų61.52%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-99.1137.3-176.2176.90000109.2S53 F54 V56 L75 I91V38-S53 WeakPolarHBondContact O-CA 3.34Å; V38-F54 HydrophobicContact CB-CD1 4.4Å; V38-F54 HydrophobicContact CB-CE1 3.84Å; V38-F54 HydrophobicContact CB-CE2 4.16Å; V38-F54 HydrophobicContact CB-CZ 3.71Å; V38-F54 HydrophobicContact CG1-CE1 3.92Å; V38-F54 HydrophobicContact CG1-CZ 3.99Å; V38-F54 HydrophobicContact CG2-CE2 4.36Å; V38-F54 HydrophobicContact CG2-CZ 4.15Å; V38-F54 PolarHBondContact N-O 3.3Å; V38-F54 PolarHBondContact O-N 3.29Å; V38-F54 VanDerWaalsContact O-N 3.09Å; V38-V56 HydrophobicContact CG2-CG2 3.67Å; V38-L75 HydrophobicContact CG2-CD1 3.64Å; V38-L75 HydrophobicContact CG2-CG 4.07Å; V38-I91 HydrophobicContact CG1-CB 4.37Å; V38-I91 HydrophobicContact CG1-CG1 4.07Å; V38-I91 HydrophobicContact CG1-CG2 3.5Å
39L93.4Very high82.8Confident2 Ų254.5 Ų54.51%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-95.1129.7175.8-64.7176.9000110V15 V50 V92 G93 Y95 V122V15-L39 HydrophobicContact CG1-CD2 3.94Å; L39-V50 HydrophobicContact CB-CG1 4.07Å; L39-V50 HydrophobicContact CD1-CG1 4.31Å; L39-V50 HydrophobicContact CD2-CG1 3.82Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L39-V92 HydrophobicContact CB-CG2 3.95Å; L39-V92 WeakPolarHBondContact O-CG2 3.38Å; L39-V92 PolarHBondContact O-N 3.22Å; L39-G93 PolarHBondContact N-O 3.41Å; L39-Y95 HydrophobicContact CD2-CD1 3.42Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.42Å; L39-Y95 HydrophobicContact CD2-CE1 4.27Å; L39-Y95 HydrophobicContact CD2-CG 4.04Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.49Å; L39-V122 HydrophobicContact CD1-CB 3.83Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å
40L92.4Very high84Confident0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-110.4139.5174.3-62.8179.6000109.2S51 N52 F54 Y79 F82 R90 I91L40-S51 PolarHBondContact O-N 3.41Å; L40-S51 VanDerWaalsContact O-N 3.17Å; L40-N52 CarbonylContact C-O 3.56Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.22Å; L40-N52 PolarHBondContact N-O 3.41Å; L40-N52 PolarHBondContact O-N 2.91Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.88Å; L40-F54 HydrophobicContact CD2-CE1 4.05Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.96Å; L40-Y79 HydrophobicContact CD2-CD2 4.15Å; L40-Y79 HydrophobicContact CD2-CE2 4.45Å; L40-F82 HydrophobicContact CD1-CB 3.89Å; L40-F82 HydrophobicContact CD1-CD1 4Å; L40-F82 HydrophobicContact CD1-CD2 3.9Å; L40-F82 HydrophobicContact CD1-CE2 4.46Å; L40-F82 HydrophobicContact CD1-CG 3.66Å; L40-R90 WeakPolarHBondContact CA-O 3.5Å; L40-I91 HydrophobicContact CD2-CB 4.37Å; L40-I91 HydrophobicContact CD2-CG1 3.73Å
41G91.6Very high85.6Confident0 Ų045.8 Ų45.80%022%0.217CC..EExtended strand (participates in β ladder)trans-174.1-167.6-177.300000112D49 R90G41-D49 CarbonylContact C-O 3.56Å; G41-D49 WeakPolarHBondContact CA-O 3.34Å; G41-R90 PolarHBondContact N-O 2.96Å; G41-R90 PolarHBondContact O-N 3.34Å
42S88.4Confident87.1Confident31 Ų3144.4 Ų44.422%0.21721%0.21CC..EExtended strand (participates in β ladder)trans-133152.3177720000110.2H44 D49S42-H44 PolarHBondContact OG-CD2 3.42Å; S42-H44 PolarHBondContact OG-NE2 2.91Å; S42-D49 PolarHBondContact N-O 3.37Å; S42-D49 PolarHBondContact O-N 3.44Å; S42-D49 VanDerWaalsContact O-N 3.1Å
43W85.1Confident88.4Confident84 Ų8436.7 Ų36.732%0.31817%0.174SC..EExtended strand (participates in β ladder)trans-101.4116.4179.7-156.3-75.4000109.7A5 V6 K45 L48 N118A5-W43 HydrophobicContact CB-CH2 4.3Å; A5-W43 HydrophobicContact CB-CZ2 3.95Å; A5-W43 VanDerWaalsContact O-CZ2 3.22Å; A5-W43 WeakPolarHBondContact O-CZ2 3.31Å; V6-W43 HydrophobicContact CB-CH2 4.38Å; V6-W43 HydrophobicContact CB-CZ2 4.4Å; V6-W43 HydrophobicContact CG2-CH2 2.98Å; V6-W43 HydrophobicContact CG2-CZ2 3.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.78Å; W43-K45 PolarHBondContact NE1-O 3.16Å; W43-L48 HydrophobicContact CD2-CD1 4.36Å; W43-L48 HydrophobicContact CE3-CD1 3.53Å; W43-L48 HydrophobicContact CZ3-CD1 3.94Å; W43-N118 HydrophobicContact CH2-CB 3.46Å; W43-N118 VanDerWaalsContact CH2-CB 3.46Å; W43-N118 WeakPolarHBondContact CH2-ND2 3.31Å; W43-N118 HydrophobicContact CZ2-CB 4.47Å; W43-N118 HydrophobicContact CZ3-CB 3.83Å
44H81.3Confident89.2Confident116 Ų11635.6 Ų35.654%0.53717%0.169SC..EExtended strand (participates in β ladder)trans-112.595.2176.3-79.4-60.7000109.8S42 K46 V47 D49S42-H44 PolarHBondContact OG-CD2 3.42Å; S42-H44 PolarHBondContact OG-NE2 2.91Å; H44-K46 PolarHBondContact O-N 3.42Å; H44-V47 PolarHBondContact N-O 3.32Å; H44-V47 PolarHBondContact O-N 3Å; H44-D49 IonicContact CD2-OD2 3.36Å; H44-D49 PolarHBondContact CD2-OD2 3.23Å
45K81.3Confident89.6Confident200 Ų20035.9 Ų35.987%0.8718%0.177SC*.THydrogen-bonded Turntrans58.5-92.2-178-58.7176.1-179.5174.50112.8W43W43-K45 PolarHBondContact NE1-O 3.16Å
46K83.7Confident89.7Confident117 Ų11735.8 Ų35.851%0.50918%0.177SC..THydrogen-bonded Turntrans-119.5-1-179.2-66.9-169.5175-169.20113E7 H44E7-K46 HydrophobicContact CB-CB 4.18Å; E7-K46 PolarHBondContact N-O 3.17Å; E7-K46 WeakPolarHBondContact OE2-CD 3.43Å; E7-K46 IonicContact OE2-NZ 3.83Å; H44-K46 PolarHBondContact O-N 3.42Å
47V88.4Confident89.6Confident46 Ų4638.9 Ų38.928%0.27920%0.196SC..EExtended strand (participates in β ladder)trans-104.5128.9178.5-175.10000107.7N8 V10 H44N8-V47 HydrophobicContact CB-CG1 4.47Å; N8-V47 HydrophobicContact CB-CG2 4.5Å; N8-V47 WeakPolarHBondContact O-CA 3.41Å; V10-V47 HydrophobicContact CG2-CG1 3.49Å; V10-V47 VanDerWaalsContact CG2-CG1 3.49Å; H44-V47 PolarHBondContact N-O 3.32Å; H44-V47 PolarHBondContact O-N 3Å
48L89.9Confident89.4Confident1 Ų140 Ų401%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-95.6111.7174.3176.467.4000108.9V6 N8 V9 V10 W43 V50 V92 V120V6-L48 HydrophobicContact CG1-CB 3.99Å; N8-L48 PolarHBondContact O-N 3.41Å; V9-L48 HydrophobicContact CG1-CD2 4.21Å; V9-L48 HydrophobicContact CG2-CB 4.34Å; V9-L48 HydrophobicContact CG2-CD2 4.26Å; V10-L48 PolarHBondContact N-O 2.88Å; W43-L48 HydrophobicContact CD2-CD1 4.36Å; W43-L48 HydrophobicContact CE3-CD1 3.53Å; W43-L48 HydrophobicContact CZ3-CD1 3.94Å; L48-V50 HydrophobicContact CD2-CG2 4.27Å; L48-V50 HydrophobicContact CG-CG2 4.19Å; L48-V92 HydrophobicContact CD1-CB 3.51Å; L48-V92 HydrophobicContact CD1-CG1 3.56Å; L48-V92 HydrophobicContact CD1-CG2 4.05Å; L48-V92 HydrophobicContact CD2-CB 4.32Å; L48-V92 HydrophobicContact CD2-CG2 4.47Å; L48-V92 HydrophobicContact CG-CB 4.44Å; L48-V120 HydrophobicContact CD2-CB 3.88Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.63Å
49D91.4Very high89Confident35 Ų3544.5 Ų44.519%0.18723%0.226CC..EExtended strand (participates in β ladder)trans-95.2113.4176.4-69.4-35000109.5V10 G41 S42 H44V10-D49 WeakPolarHBondContact CB-OD1 3.27Å; G41-D49 CarbonylContact C-O 3.56Å; G41-D49 WeakPolarHBondContact CA-O 3.34Å; S42-D49 PolarHBondContact N-O 3.37Å; S42-D49 PolarHBondContact O-N 3.44Å; S42-D49 VanDerWaalsContact O-N 3.1Å; H44-D49 IonicContact CD2-OD2 3.36Å; H44-D49 PolarHBondContact CD2-OD2 3.23Å
50V92.7Very high88.5Confident0 Ų045.6 Ų45.60%023%0.231CC..EExtended strand (participates in β ladder)trans-96.7100.1179.4-170.60000108.7V9 V10 V11 H12 V15 L39 L48V9-V50 HydrophobicContact CG1-CG2 3.98Å; V10-V50 WeakPolarHBondContact O-CB 3.31Å; V10-V50 PolarHBondContact O-N 2.97Å; V11-V50 HydrophobicContact CG2-CG2 4.5Å; H12-V50 WeakPolarHBondContact CB-O 3.36Å; H12-V50 PolarHBondContact CD2-O 2.93Å; H12-V50 PolarHBondContact N-O 3.23Å; H12-V50 VanDerWaalsContact N-O 3.09Å; V15-V50 HydrophobicContact CG1-CG1 4.46Å; V15-V50 HydrophobicContact CG2-CG1 3.99Å; L39-V50 HydrophobicContact CB-CG1 4.07Å; L39-V50 HydrophobicContact CD1-CG1 4.31Å; L39-V50 HydrophobicContact CD2-CG1 3.82Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L48-V50 HydrophobicContact CD2-CG2 4.27Å; L48-V50 HydrophobicContact CG-CG2 4.19Å
51S90.3Very high87.9Confident29 Ų2948.9 Ų48.920%0.20325%0.248CC..EExtended strand (participates in β ladder)trans-90.5-37.8-174.8-45.70000112.7L40L40-S51 PolarHBondContact O-N 3.41Å; L40-S51 VanDerWaalsContact O-N 3.17Å
52N92.2Very high87.1Confident36 Ų3654.5 Ų54.519%0.19328%0.278CS..EExtended strand (participates in β ladder)trans-143.6163.5-171.6-157.3-0.9000111.7L40L40-N52 CarbonylContact C-O 3.56Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.22Å; L40-N52 PolarHBondContact N-O 3.41Å; L40-N52 PolarHBondContact O-N 2.91Å
53S93Very high86.6Confident3 Ų361.8 Ų61.82%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-154.8145.5-179.964.50000110.7S18 V38S18-S53 PolarHBondContact OG-O 2.93Å; V38-S53 WeakPolarHBondContact O-CA 3.34Å
54F92.6Very high86.2Confident14 Ų1462.5 Ų62.56%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-131.6149172.467-87.4000112G37 V38 L40 V56 Y74 M78 F82G37-F54 CarbonylContact C-O 3.4Å; G37-F54 VanDerWaalsContact CA-O 3.29Å; G37-F54 WeakPolarHBondContact CA-O 3.44Å; V38-F54 HydrophobicContact CB-CD1 4.4Å; V38-F54 HydrophobicContact CB-CE1 3.84Å; V38-F54 HydrophobicContact CB-CE2 4.16Å; V38-F54 HydrophobicContact CB-CZ 3.71Å; V38-F54 HydrophobicContact CG1-CE1 3.92Å; V38-F54 HydrophobicContact CG1-CZ 3.99Å; V38-F54 HydrophobicContact CG2-CE2 4.36Å; V38-F54 HydrophobicContact CG2-CZ 4.15Å; V38-F54 PolarHBondContact N-O 3.3Å; V38-F54 PolarHBondContact O-N 3.29Å; V38-F54 VanDerWaalsContact O-N 3.09Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.88Å; L40-F54 HydrophobicContact CD2-CE1 4.05Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.96Å; F54-V56 HydrophobicContact CD2-CG2 4.16Å; F54-V56 HydrophobicContact CE2-CG2 3.77Å; F54-Y74 HydrophobicContact CD2-CE1 4.45Å; F54-M78 HydrophobicContact CD2-CB 4.16Å; F54-M78 HydrophobicContact CE2-CB 3.8Å; F54-M78 HydrophobicContact CE2-CG 4.46Å; F54-M78 HydrophobicContact CZ-CB 4.18Å; F54-F82 HydrophobicContact CB-CE2 3.89Å; F54-F82 HydrophobicContact CB-CZ 4.23Å; F54-F82 AromaticContact CD1-CD2 3.95Å; F54-F82 HydrophobicContact CD1-CD2 3.95Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CE1-CD2 4.26Å; F54-F82 HydrophobicContact CE1-CE2 4.42Å; F54-F82 HydrophobicContact CG-CD2 4.48Å; F54-F82 AromaticContact CG-CE2 3.86Å; F54-F82 HydrophobicContact CG-CE2 3.86Å
55A90.8Very high85.7Confident31 Ų3160.8 Ų60.826%0.25631%0.311SS..EExtended strand (participates in β ladder)trans-64.9136.4174.600000111.8H22 Y74H22-A55 WeakPolarHBondContact CE1-CA 3.46Å; H22-A55 WeakPolarHBondContact CE1-CB 3.41Å; H22-A55 VanDerWaalsContact ND1-CB 3.29Å; H22-A55 WeakPolarHBondContact ND1-CB 3.29Å; H22-A55 WeakPolarHBondContact NE2-CB 3.5Å; A55-Y74 WeakPolarHBondContact O-CE1 3.46Å
56V89.9Confident85.5Confident2 Ų256 Ų561%0.01230%0.303CS..  trans-116135.5164.8178.40000108V36 V38 F54 F58 L70 Y74V36-V56 PolarHBondContact O-N 2.97Å; V38-V56 HydrophobicContact CG2-CG2 3.67Å; F54-V56 HydrophobicContact CD2-CG2 4.16Å; F54-V56 HydrophobicContact CE2-CG2 3.77Å; V56-F58 PolarHBondContact O-N 3.22Å; V56-L70 HydrophobicContact CG1-CD2 4.09Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; V56-Y74 HydrophobicContact CG2-CD1 4.49Å
57P88.4Confident85.5Confident66 Ų6654.7 Ų54.743%0.42930%0.304SS..  trans-54.4115.6170.8-2535000110
58F86.9Confident85.5Confident23 Ų2355.3 Ų55.310%0.10130%0.302CS..EExtended strand (participates in β ladder)trans-134126.7-177.5176.2-98.1000108.5V36 V56 E60 W68 F69 L70 I108V36-F58 HydrophobicContact CB-CB 3.91Å; V36-F58 HydrophobicContact CB-CD1 4.06Å; V36-F58 HydrophobicContact CB-CD2 4.11Å; V36-F58 HydrophobicContact CB-CG 3.75Å; V36-F58 HydrophobicContact CG2-CB 4.37Å; V36-F58 HydrophobicContact CG2-CD1 3.56Å; V36-F58 HydrophobicContact CG2-CD2 3.96Å; V36-F58 HydrophobicContact CG2-CE1 3.72Å; V36-F58 HydrophobicContact CG2-CE2 4.11Å; V36-F58 HydrophobicContact CG2-CG 3.69Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V56-F58 PolarHBondContact O-N 3.22Å; F58-E60 HydrophobicContact CE1-CB 3.75Å; F58-E60 HydrophobicContact CZ-CB 3.99Å; F58-W68 HydrophobicContact CE2-CB 3.87Å; F58-W68 HydrophobicContact CE2-CD2 4.46Å; F58-W68 HydrophobicContact CE2-CE3 4.11Å; F58-W68 HydrophobicContact CE2-CG 4.41Å; F58-W68 HydrophobicContact CZ-CB 3.98Å; F58-F69 WeakPolarHBondContact CA-O 3.45Å; F58-F69 VanDerWaalsContact CD2-O 3.25Å; F58-F69 WeakPolarHBondContact CD2-O 3.5Å; F58-L70 HydrophobicContact CD2-CB 4.43Å; F58-I108 HydrophobicContact CE2-CD1 3.78Å; F58-I108 HydrophobicContact CZ-CD1 3.86Å
59D85.4Confident85.4Confident99 Ų9961 Ų6153%0.52933%0.326SS..EExtended strand (participates in β ladder)trans-125.3133.6174.7-80.5-48.3000109.2W68 F69D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.36Å; D59-F69 PolarHBondContact N-O 2.78Å; D59-F69 PolarHBondContact O-N 3.11Å
60E81.5Confident85.2Confident25 Ų2559.8 Ų59.812%0.11732%0.32CS..EExtended strand (participates in β ladder)trans-125138.6176-173.8169.1-149.300107.8K33 R34 F58 N104K33-E60 PolarHBondContact NZ-O 3.09Å; R34-E60 IonicContact NE-OE2 3.11Å; F58-E60 HydrophobicContact CE1-CB 3.75Å; F58-E60 HydrophobicContact CZ-CB 3.99Å; E60-N104 PolarHBondContact OE1-ND2 2.96Å
61D81.9Confident85Confident68 Ų6862 Ų6236%0.36433%0.332SS..  trans-74.8138.4172-165.4-0.3000109.8K63 V67D61-K63 PolarHBondContact O-N 3.16Å; D61-K63 PolarHBondContact OD1-N 2.96Å; D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 2.95Å; D61-V67 VanDerWaalsContact N-O 3.17Å
62D74.3Confident84.8Confident118 Ų11863.5 Ų63.563%0.63134%0.335SS*.SBendtrans-77.7-14.8-179.8-58.3-60.3000112.1K33K33-D62 VanDerWaalsContact CE-CG 3.48Å; K33-D62 WeakPolarHBondContact CE-OD1 3.25Å; K33-D62 WeakPolarHBondContact CE-OD2 3.43Å; K33-D62 IonicContact NZ-OD1 3.13Å; K33-D62 IonicContact NZ-OD2 3.55Å; K33-D62 PolarHBondContact NZ-OD2 2.9Å
63K77.3Confident84.7Confident184 Ų18467.4 Ų67.480%0.836%0.356SS*.SBendtrans-99.6-38.1-177.6-66.2-179-177175.10113.1D61D61-K63 PolarHBondContact O-N 3.16Å; D61-K63 PolarHBondContact OD1-N 2.96Å
64D76.8Confident84.5Confident100 Ų10071.4 Ų71.454%0.53537%0.372SS..  trans-122.897.9-178.8-83.8-42.9000110.2S66 V67D64-S66 PolarHBondContact O-N 3.48Å; D64-V67 HydrophobicContact CB-CG2 4.13Å; D64-V67 PolarHBondContact O-N 2.91Å
65D71.9Confident84.3Confident79 Ų7970.9 Ų70.942%0.42237%0.369SS..THydrogen-bonded Turntrans-49.6-33.9175.3-75.79.7000112.2V67 N104D65-V67 PolarHBondContact O-N 3.4Å; D65-N104 VanDerWaalsContact C-CG 3.48Å; D65-N104 VanDerWaalsContact C-ND2 3.29Å; D65-N104 VanDerWaalsContact C-OD1 3.26Å; D65-N104 WeakPolarHBondContact CA-ND2 3.08Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.43Å; D65-N104 PolarHBondContact O-ND2 3.41Å; D65-N104 PolarHBondContact O-OD1 3.17Å
66S76.6Confident84.2Confident101 Ų10175.3 Ų75.371%0.70639%0.385SS*.THydrogen-bonded Turntrans-72.1-12.6-177.4-60.10000114.8D64D64-S66 PolarHBondContact O-N 3.48Å
67V84.1Confident84.3Confident88 Ų8880.1 Ų80.153%0.53341%0.41SS..  trans-102.2102.7-178.3-175.70000109.3D61 D64 D65D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 2.95Å; D61-V67 VanDerWaalsContact N-O 3.17Å; D64-V67 HydrophobicContact CB-CG2 4.13Å; D64-V67 PolarHBondContact O-N 2.91Å; D65-V67 PolarHBondContact O-N 3.4Å
68W87.3Confident84.4Confident60 Ų6078.8 Ų78.823%0.22740%0.399CS..EExtended strand (participates in β ladder)trans-133.9152.1175.457.8-90.1000110.7F58 D59 L70 A107 I108 L111F58-W68 HydrophobicContact CE2-CB 3.87Å; F58-W68 HydrophobicContact CE2-CD2 4.46Å; F58-W68 HydrophobicContact CE2-CE3 4.11Å; F58-W68 HydrophobicContact CE2-CG 4.41Å; F58-W68 HydrophobicContact CZ-CB 3.98Å; D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.36Å; W68-L70 HydrophobicContact CE3-CB 4.04Å; W68-L70 HydrophobicContact CZ3-CB 3.71Å; W68-A107 HydrophobicContact CZ2-CB 4.03Å; W68-I108 HydrophobicContact CD2-CD1 4.36Å; W68-I108 HydrophobicContact CD2-CG1 3.79Å; W68-I108 HydrophobicContact CE3-CG1 3.95Å; W68-I108 HydrophobicContact CG-CG1 4.4Å; W68-I108 HydrophobicContact CH2-CG1 3.96Å; W68-I108 HydrophobicContact CZ2-CG1 3.81Å; W68-I108 HydrophobicContact CZ3-CG1 4.04Å; W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.71Å; W68-L111 HydrophobicContact CZ3-CD1 4.22Å
69F87.4Confident84.5Confident120 Ų12080 Ų8053%0.52640%0.403SS..EExtended strand (participates in β ladder)trans-123.1131.7178.7178.4-99.3000109.8F58 D59 D71F58-F69 WeakPolarHBondContact CA-O 3.45Å; F58-F69 VanDerWaalsContact CD2-O 3.25Å; F58-F69 WeakPolarHBondContact CD2-O 3.5Å; D59-F69 PolarHBondContact N-O 2.78Å; D59-F69 PolarHBondContact O-N 3.11Å; F69-D71 HydrophobicContact CE1-CB 4.18Å; F69-D71 HydrophobicContact CZ-CB 4.41Å
70L86.9Confident84.8Confident9 Ų976.6 Ų76.65%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-134.9125.6173.7-169.1152.6000108.6V36 V56 F58 W68 H72 L75 I108 L111V36-L70 HydrophobicContact CG1-CD1 4.45Å; V56-L70 HydrophobicContact CG1-CD2 4.09Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; F58-L70 HydrophobicContact CD2-CB 4.43Å; W68-L70 HydrophobicContact CE3-CB 4.04Å; W68-L70 HydrophobicContact CZ3-CB 3.71Å; L70-H72 WeakPolarHBondContact CD2-ND1 3.37Å; L70-H72 PolarHBondContact O-CE1 3.46Å; L70-H72 PolarHBondContact O-N 2.86Å; L70-L75 HydrophobicContact CD2-CD1 4.47Å; L70-I108 HydrophobicContact CD1-CG2 4.38Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å
71D90.3Very high85.2Confident47 Ų4780.4 Ų80.425%0.25141%0.411SS..  trans-79.4106.6179.9-169.9-19.8000111.7F69 D73 Y74 L75F69-D71 HydrophobicContact CE1-CB 4.18Å; F69-D71 HydrophobicContact CZ-CB 4.41Å; D71-D73 PolarHBondContact OD1-N 3.17Å; D71-Y74 VanDerWaalsContact CG-CB 3.48Å; D71-Y74 PolarHBondContact OD1-N 3.03Å; D71-L75 PolarHBondContact O-N 2.86Å
72H85.1Confident85.5Confident61 Ų6179.8 Ų79.828%0.28241%0.405SS..Hα-helixtrans-75.9-33.2177.1-58.7-35.3000113.5L70 Y74 L75 E76 L111L70-H72 WeakPolarHBondContact CD2-ND1 3.37Å; L70-H72 PolarHBondContact O-CE1 3.46Å; L70-H72 PolarHBondContact O-N 2.86Å; H72-Y74 VanDerWaalsContact C-N 3.31Å; H72-L75 WeakPolarHBondContact O-CB 3.35Å; H72-L75 PolarHBondContact O-N 2.91Å; H72-E76 PolarHBondContact O-N 3.35Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.29Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.37Å; H72-L111 WeakPolarHBondContact ND1-CD2 3.5Å; H72-L111 VanDerWaalsContact NE2-CD1 3.26Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.35Å
73D89.6Confident86.2Confident118 Ų11879.3 Ų79.363%0.63140%0.397SS*.Hα-helixtrans-68.4-39.5-178.7-71-6.7000109.2D71 N77D71-D73 PolarHBondContact OD1-N 3.17Å; D73-N77 WeakPolarHBondContact O-CB 3.46Å; D73-N77 VanDerWaalsContact O-CG 3.31Å; D73-N77 PolarHBondContact O-N 3.39Å; D73-N77 PolarHBondContact O-ND2 3.5Å
74Y90.4Very high86.9Confident87 Ų8779.3 Ų79.334%0.34140%0.397SS..Hα-helixtrans-61.4-44.8172.3-173.1-96.9000111.8F54 A55 V56 D71 H72 E76 N77 M78F54-Y74 HydrophobicContact CD2-CE1 4.45Å; A55-Y74 WeakPolarHBondContact O-CE1 3.46Å; V56-Y74 HydrophobicContact CG2-CD1 4.49Å; D71-Y74 VanDerWaalsContact CG-CB 3.48Å; D71-Y74 PolarHBondContact OD1-N 3.03Å; H72-Y74 VanDerWaalsContact C-N 3.31Å; Y74-E76 PolarHBondContact O-N 3.44Å; Y74-N77 PolarHBondContact O-N 3.49Å; Y74-M78 HydrophobicContact CD1-CG 3.89Å; Y74-M78 HydrophobicContact CD2-CG 4.24Å; Y74-M78 HydrophobicContact CE1-CB 4.44Å; Y74-M78 HydrophobicContact CE1-CG 3.42Å; Y74-M78 VanDerWaalsContact CE1-CG 3.42Å; Y74-M78 HydrophobicContact CE1-SD 4.47Å; Y74-M78 HydrophobicContact CE2-CE 4.4Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.28Å; Y74-M78 WeakPolarHBondContact O-CB 3.43Å; Y74-M78 WeakPolarHBondContact O-CG 3.49Å; Y74-M78 PolarHBondContact O-N 2.9Å
75L88.2Confident87.7Confident2 Ų280.8 Ų80.81%0.0141%0.41CS..Hα-helixtrans-58.9-49179-173.4162000111.4V38 L70 D71 H72 Y79 I91 Y115V38-L75 HydrophobicContact CG2-CD1 3.64Å; V38-L75 HydrophobicContact CG2-CG 4.07Å; L70-L75 HydrophobicContact CD2-CD1 4.47Å; D71-L75 PolarHBondContact O-N 2.86Å; H72-L75 WeakPolarHBondContact O-CB 3.35Å; H72-L75 PolarHBondContact O-N 2.91Å; L75-Y79 WeakPolarHBondContact O-CB 3.37Å; L75-Y79 PolarHBondContact O-N 3.33Å; L75-I91 HydrophobicContact CD2-CD1 3.82Å; L75-Y115 HydrophobicContact CD2-CD1 4.23Å; L75-Y115 HydrophobicContact CD2-CE1 4.17Å; L75-Y115 HydrophobicContact CD2-CG 4.47Å
76E88.9Confident88.4Confident125 Ų12579.5 Ų79.558%0.58440%0.403SS*.Hα-helixtrans-67.4-41.6-178.2-171.3167.5-171.700112.1H72 Y74 G80H72-E76 PolarHBondContact O-N 3.35Å; Y74-E76 PolarHBondContact O-N 3.44Å; E76-G80 PolarHBondContact O-N 2.88Å
77N91.8Very high88.9Confident103 Ų10378.5 Ų78.555%0.55140%0.4SS*.Hα-helixtrans-64.2-48.2176.9-76.6-51000112.1D73 Y74 G80 M81D73-N77 WeakPolarHBondContact O-CB 3.46Å; D73-N77 VanDerWaalsContact O-CG 3.31Å; D73-N77 PolarHBondContact O-N 3.39Å; D73-N77 PolarHBondContact O-ND2 3.5Å; Y74-N77 PolarHBondContact O-N 3.49Å; N77-G80 PolarHBondContact O-N 2.97Å; N77-M81 WeakPolarHBondContact O-CG 3.3Å; N77-M81 PolarHBondContact O-N 2.9Å; N77-M81 VanDerWaalsContact O-N 3.09Å
78M89.6Confident88.9Confident38 Ų3884.2 Ų84.219%0.18741%0.413CS..Hα-helixtrans-64.8-44.3178.1-75.1-60.710000111.7F54 Y74 G80 M81 F82F54-M78 HydrophobicContact CD2-CB 4.16Å; F54-M78 HydrophobicContact CE2-CB 3.8Å; F54-M78 HydrophobicContact CE2-CG 4.46Å; F54-M78 HydrophobicContact CZ-CB 4.18Å; Y74-M78 HydrophobicContact CD1-CG 3.89Å; Y74-M78 HydrophobicContact CD2-CG 4.24Å; Y74-M78 HydrophobicContact CE1-CB 4.44Å; Y74-M78 HydrophobicContact CE1-CG 3.42Å; Y74-M78 VanDerWaalsContact CE1-CG 3.42Å; Y74-M78 HydrophobicContact CE1-SD 4.47Å; Y74-M78 HydrophobicContact CE2-CE 4.4Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.28Å; Y74-M78 WeakPolarHBondContact O-CB 3.43Å; Y74-M78 WeakPolarHBondContact O-CG 3.49Å; Y74-M78 PolarHBondContact O-N 2.9Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 3.47Å; M78-M81 HydrophobicContact CE-CE 3.64Å; M78-M81 HydrophobicContact CE-CG 4.43Å; M78-M81 HydrophobicContact CE-SD 3.48Å; M78-M81 WeakPolarHBondContact CE-SD 3.43Å; M78-M81 WeakPolarHBondContact O-CA 3.18Å; M78-M81 WeakPolarHBondContact O-CB 3.48Å; M78-M81 PolarHBondContact O-N 3.49Å; M78-M81 HydrophobicContact SD-SD 4.49Å; M78-F82 VanDerWaalsContact O-CD2 3.29Å; M78-F82 WeakPolarHBondContact O-CD2 3.44Å; M78-F82 PolarHBondContact O-N 3.02Å
79Y89.3Confident88.9Confident47 Ų4782.6 Ų82.618%0.18441%0.408CS..Hα-helixtrans-59.4-40.6174.7176.5-123.2000111.6L40 L75 M81 F82 K83 I91L40-Y79 HydrophobicContact CD2-CD2 4.15Å; L40-Y79 HydrophobicContact CD2-CE2 4.45Å; L75-Y79 WeakPolarHBondContact O-CB 3.37Å; L75-Y79 PolarHBondContact O-N 3.33Å; Y79-M81 VanDerWaalsContact C-N 3.26Å; Y79-M81 PolarHBondContact O-N 2.91Å; Y79-F82 PolarHBondContact O-N 3.2Å; Y79-K83 HydrophobicContact CE1-CD 4.28Å; Y79-K83 VanDerWaalsContact O-CB 3.25Å; Y79-K83 WeakPolarHBondContact O-CB 3.41Å; Y79-K83 PolarHBondContact O-N 2.89Å; Y79-I91 HydrophobicContact CD1-CD1 3.94Å; Y79-I91 HydrophobicContact CD2-CD1 3.84Å; Y79-I91 HydrophobicContact CD2-CG1 3.62Å; Y79-I91 HydrophobicContact CE1-CD1 4.25Å; Y79-I91 HydrophobicContact CE2-CD1 4.2Å; Y79-I91 HydrophobicContact CE2-CG1 3.79Å; Y79-I91 HydrophobicContact CG-CD1 3.69Å; Y79-I91 HydrophobicContact CG-CG1 4.03Å
80G90.7Very high89Confident29 Ų2984.9 Ų84.930%0.29941%0.413SS..Hα-helixtrans-59.5-32.817300000113.6E76 N77 M78 K84E76-G80 PolarHBondContact O-N 2.88Å; N77-G80 PolarHBondContact O-N 2.97Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 3.47Å; G80-K84 VanDerWaalsContact O-CG 3.27Å; G80-K84 WeakPolarHBondContact O-CG 3.43Å; G80-K84 PolarHBondContact O-N 3.5Å
81M90.4Very high89.2Confident105 Ų10585.2 Ų85.252%0.51741%0.414SS..Hα-helixtrans-74.8-47.9174-63.4-171.6-169.900111.9N77 M78 Y79 K83 K84 V85N77-M81 WeakPolarHBondContact O-CG 3.3Å; N77-M81 PolarHBondContact O-N 2.9Å; N77-M81 VanDerWaalsContact O-N 3.09Å; M78-M81 HydrophobicContact CE-CE 3.64Å; M78-M81 HydrophobicContact CE-CG 4.43Å; M78-M81 HydrophobicContact CE-SD 3.48Å; M78-M81 WeakPolarHBondContact CE-SD 3.43Å; M78-M81 WeakPolarHBondContact O-CA 3.18Å; M78-M81 WeakPolarHBondContact O-CB 3.48Å; M78-M81 PolarHBondContact O-N 3.49Å; M78-M81 HydrophobicContact SD-SD 4.49Å; Y79-M81 VanDerWaalsContact C-N 3.26Å; Y79-M81 PolarHBondContact O-N 2.91Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.48Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.02Å; M81-V85 PolarHBondContact O-N 2.91Å
82F89.1Confident89.2Confident55 Ų5583.4 Ų83.424%0.24141%0.405CS..Hα-helixtrans-59.6-40.9177.8-81.9-71.6000111.9L40 F54 M78 Y79 K84 V85 N86L40-F82 HydrophobicContact CD1-CB 3.89Å; L40-F82 HydrophobicContact CD1-CD1 4Å; L40-F82 HydrophobicContact CD1-CD2 3.9Å; L40-F82 HydrophobicContact CD1-CE2 4.46Å; L40-F82 HydrophobicContact CD1-CG 3.66Å; F54-F82 HydrophobicContact CB-CE2 3.89Å; F54-F82 HydrophobicContact CB-CZ 4.23Å; F54-F82 AromaticContact CD1-CD2 3.95Å; F54-F82 HydrophobicContact CD1-CD2 3.95Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CE1-CD2 4.26Å; F54-F82 HydrophobicContact CE1-CE2 4.42Å; F54-F82 HydrophobicContact CG-CD2 4.48Å; F54-F82 AromaticContact CG-CE2 3.86Å; F54-F82 HydrophobicContact CG-CE2 3.86Å; M78-F82 VanDerWaalsContact O-CD2 3.29Å; M78-F82 WeakPolarHBondContact O-CD2 3.44Å; M78-F82 PolarHBondContact O-N 3.02Å; Y79-F82 PolarHBondContact O-N 3.2Å; F82-K84 VanDerWaalsContact C-N 3.26Å; F82-K84 PolarHBondContact O-N 3.43Å; F82-V85 PolarHBondContact O-N 3.37Å; F82-V85 VanDerWaalsContact O-N 3.09Å; F82-N86 PolarHBondContact O-N 2.86Å
83K89.5Confident89.5Confident108 Ų10880.5 Ų80.547%0.4739%0.391SS..Hα-helixtrans-65.4-26.6176.9-167.1169.6-175.1175.10113.6Y79 M81Y79-K83 HydrophobicContact CE1-CD 4.28Å; Y79-K83 VanDerWaalsContact O-CB 3.25Å; Y79-K83 WeakPolarHBondContact O-CB 3.41Å; Y79-K83 PolarHBondContact O-N 2.89Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.48Å
84K91.7Very high89.7Confident184 Ų18474.9 Ų74.980%0.836%0.361SS*.Hα-helixtrans-74.6-33.4172.9-73.8169.8-173.7176.80112.1G80 M81 F82G80-K84 VanDerWaalsContact O-CG 3.27Å; G80-K84 WeakPolarHBondContact O-CG 3.43Å; G80-K84 PolarHBondContact O-N 3.5Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.02Å; F82-K84 VanDerWaalsContact C-N 3.26Å; F82-K84 PolarHBondContact O-N 3.43Å
85V92.1Very high89.8Confident130 Ų13070.7 Ų70.779%0.78835%0.345SS*.Hα-helixtrans-78.3-46.6178.4178.40000110.5M81 F82M81-V85 PolarHBondContact O-N 2.91Å; F82-V85 PolarHBondContact O-N 3.37Å; F82-V85 VanDerWaalsContact O-N 3.09Å
86N87.1Confident90Very high53 Ų5370.6 Ų70.628%0.28334%0.344SS..  trans-135110.1179.6-169.8-4.6000110.8F82 R88 E89F82-N86 PolarHBondContact O-N 2.86Å; N86-R88 PolarHBondContact O-N 3.36Å; N86-R88 WeakPolarHBondContact OD1-CB 3.49Å; N86-R88 PolarHBondContact OD1-N 3.39Å; N86-R88 VanDerWaalsContact OD1-N 3.09Å; N86-E89 HydrophobicContact CB-CB 4.48Å; N86-E89 HydrophobicContact CB-CG 4.38Å; N86-E89 PolarHBondContact ND2-OE1 3.18Å
87A86.4Confident89.8Confident79 Ų7965.1 Ų65.165%0.65332%0.319SS*.THydrogen-bonded Turntrans-74.7-13.2-179.600000113.9
88R86Confident88.8Confident209 Ų20960.4 Ų60.479%0.78930%0.295SS*.THydrogen-bonded Turntrans-82.1-29179.5-65.3-176.4177.1-178.70.6112.3N86N86-R88 PolarHBondContact O-N 3.36Å; N86-R88 WeakPolarHBondContact OD1-CB 3.49Å; N86-R88 PolarHBondContact OD1-N 3.39Å; N86-R88 VanDerWaalsContact OD1-N 3.09Å
89E86.9Confident88Confident26 Ų2663.4 Ų63.412%0.12132%0.318CS..  trans-72129.5178.8-79.7171-141.400111N86N86-E89 HydrophobicContact CB-CB 4.48Å; N86-E89 HydrophobicContact CB-CG 4.38Å; N86-E89 PolarHBondContact ND2-OE1 3.18Å
90R89.8Confident87.4Confident168 Ų16868.1 Ų68.163%0.63434%0.339SS*.EExtended strand (participates in β ladder)trans-127.9159.3173.2-62.2-175.8-178.2-170.40.9108.7L40 G41 V92L40-R90 WeakPolarHBondContact CA-O 3.5Å; G41-R90 PolarHBondContact N-O 2.96Å; G41-R90 PolarHBondContact O-N 3.34Å; R90-V92 PolarHBondContact O-N 2.86Å
91I90.6Very high87Confident15 Ų1569.8 Ų69.88%0.07734%0.341CS..EExtended strand (participates in β ladder)trans-66.4128.2169.1-56.2163.7000107.2V38 L40 L75 Y79 C116V38-I91 HydrophobicContact CG1-CB 4.37Å; V38-I91 HydrophobicContact CG1-CG1 4.07Å; V38-I91 HydrophobicContact CG1-CG2 3.5Å; L40-I91 HydrophobicContact CD2-CB 4.37Å; L40-I91 HydrophobicContact CD2-CG1 3.73Å; L75-I91 HydrophobicContact CD2-CD1 3.82Å; Y79-I91 HydrophobicContact CD1-CD1 3.94Å; Y79-I91 HydrophobicContact CD2-CD1 3.84Å; Y79-I91 HydrophobicContact CD2-CG1 3.62Å; Y79-I91 HydrophobicContact CE1-CD1 4.25Å; Y79-I91 HydrophobicContact CE2-CD1 4.2Å; Y79-I91 HydrophobicContact CE2-CG1 3.79Å; Y79-I91 HydrophobicContact CG-CD1 3.69Å; Y79-I91 HydrophobicContact CG-CG1 4.03Å; I91-C116 WeakPolarHBondContact CB-SG 3.5Å; I91-C116 WeakPolarHBondContact CG2-SG 3.38Å; I91-C116 PolarHBondContact O-SG 2.88Å
92V90.4Very high86.6Confident9 Ų968.2 Ų68.26%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-118-16.6-178.5-680000112.3L39 L48 R90 V120L39-V92 HydrophobicContact CB-CG2 3.95Å; L39-V92 WeakPolarHBondContact O-CG2 3.38Å; L39-V92 PolarHBondContact O-N 3.22Å; L48-V92 HydrophobicContact CD1-CB 3.51Å; L48-V92 HydrophobicContact CD1-CG1 3.56Å; L48-V92 HydrophobicContact CD1-CG2 4.05Å; L48-V92 HydrophobicContact CD2-CB 4.32Å; L48-V92 HydrophobicContact CD2-CG2 4.47Å; L48-V92 HydrophobicContact CG-CB 4.44Å; R90-V92 PolarHBondContact O-N 2.86Å; V92-V120 PolarHBondContact O-N 2.91Å
93G91.7Very high86.3Confident0 Ų074.1 Ų74.10%036%0.358CS..EExtended strand (participates in β ladder)trans167.1-154.3-178.900000110.9L39 V120L39-G93 PolarHBondContact N-O 3.41Å; G93-V120 CarbonylContact C-O 3.58Å; G93-V120 WeakPolarHBondContact CA-O 3.41Å
94W93.1Very high86.1Confident0 Ų069.4 Ų69.40%034%0.338CS..EExtended strand (participates in β ladder)trans-147.2159-17964.1-74.6000110.6V36 G37 H96 D105 I108 N109 I112 V120 L121 V122V36-W94 HydrophobicContact CG1-CE3 3.77Å; V36-W94 HydrophobicContact CG1-CZ3 4.13Å; V36-W94 HydrophobicContact CG2-CZ3 4.3Å; G37-W94 CarbonylContact O-C 3.54Å; G37-W94 VanDerWaalsContact O-CA 3.29Å; G37-W94 WeakPolarHBondContact O-CA 3.31Å; G37-W94 VanDerWaalsContact O-CB 3.29Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; W94-H96 HydrophobicContact CE3-CB 4.44Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.97Å; W94-H96 AromaticContact CZ3-CD2 3.56Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.26Å; W94-I108 HydrophobicContact CD2-CG2 4.17Å; W94-I108 HydrophobicContact CE3-CG2 4.06Å; W94-I108 HydrophobicContact CH2-CB 3.93Å; W94-I108 HydrophobicContact CH2-CD1 4.41Å; W94-I108 HydrophobicContact CH2-CG2 3.64Å; W94-I108 HydrophobicContact CZ2-CB 4.05Å; W94-I108 HydrophobicContact CZ2-CG2 3.78Å; W94-I108 HydrophobicContact CZ3-CB 4.5Å; W94-I108 HydrophobicContact CZ3-CG2 3.79Å; W94-N109 HydrophobicContact CZ2-CB 4.08Å; W94-N109 PolarHBondContact NE1-OD1 2.87Å; W94-I112 HydrophobicContact CB-CD1 3.51Å; W94-I112 HydrophobicContact CD2-CD1 3.81Å; W94-I112 HydrophobicContact CG-CD1 3.33Å; W94-V120 PolarHBondContact N-O 3.12Å; W94-L121 HydrophobicContact CD2-CD1 3.81Å; W94-L121 HydrophobicContact CE3-CD1 3.82Å; W94-L121 HydrophobicContact CH2-CD1 3.71Å; W94-L121 HydrophobicContact CZ2-CD1 3.65Å; W94-L121 HydrophobicContact CZ2-CD2 4.29Å; W94-L121 HydrophobicContact CZ2-CG 4.36Å; W94-L121 HydrophobicContact CZ3-CD1 3.8Å; W94-L121 WeakPolarHBondContact O-CA 3.2Å; W94-V122 PolarHBondContact O-N 3.13Å
95Y93.6Very high85.9Confident0 Ų060.7 Ų60.70%030%0.299CS..EExtended strand (participates in β ladder)trans-123.1155.5176.570.9-85.8000110.1V19 H22 V36 G37 L39 T97 V122 I124V19-Y95 HydrophobicContact CB-CD2 4.48Å; V19-Y95 HydrophobicContact CB-CE2 4.02Å; V19-Y95 HydrophobicContact CG1-CD2 4.01Å; V19-Y95 HydrophobicContact CG1-CE2 3.72Å; V19-Y95 HydrophobicContact CG2-CD2 3.67Å; V19-Y95 HydrophobicContact CG2-CE1 4.25Å; V19-Y95 HydrophobicContact CG2-CE2 3.37Å; V19-Y95 HydrophobicContact CG2-CG 4.22Å; H22-Y95 PolarHBondContact ND1-OH 2.83Å; V36-Y95 WeakPolarHBondContact CA-O 3.47Å; G37-Y95 VanDerWaalsContact C-CD1 3.45Å; G37-Y95 PolarHBondContact N-O 2.95Å; G37-Y95 WeakPolarHBondContact O-CD1 3.48Å; G37-Y95 PolarHBondContact O-N 3.41Å; L39-Y95 HydrophobicContact CD2-CD1 3.42Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.42Å; L39-Y95 HydrophobicContact CD2-CE1 4.27Å; L39-Y95 HydrophobicContact CD2-CG 4.04Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.49Å; Y95-T97 HydrophobicContact CE2-CG2 4.48Å; Y95-V122 WeakPolarHBondContact CA-O 3.5Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.4Å; Y95-I124 HydrophobicContact CD2-CD1 4.31Å; Y95-I124 HydrophobicContact CG-CD1 4.32Å
96H91.1Very high85.6Confident0 Ų057.2 Ų57.20%028%0.276CS..EExtended strand (participates in β ladder)trans-136.5149.716469.372.4000112.1R34 V35 V36 W94 G98 D105 L121 V122 I124R34-H96 HydrophobicContact CG-CB 4.07Å; V35-H96 CarbonylContact O-C 3.51Å; V35-H96 WeakPolarHBondContact O-CA 3.46Å; V36-H96 HydrophobicContact CG2-CB 3.99Å; W94-H96 HydrophobicContact CE3-CB 4.44Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.97Å; W94-H96 AromaticContact CZ3-CD2 3.56Å; H96-G98 PolarHBondContact O-N 3.03Å; H96-D105 IonicContact NE2-OD2 3.93Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.35Å; H96-V122 PolarHBondContact N-O 3.37Å; H96-I124 PolarHBondContact O-N 3.44Å
97T85.8Confident85.6Confident9 Ų956.7 Ų56.76%0.05528%0.279CS..  trans-93.885.4176.464.80000109.5V19 R34 V35 Y95 V126V19-T97 HydrophobicContact CG1-CG2 3.29Å; R34-T97 WeakPolarHBondContact CG-O 3.47Å; V35-T97 HydrophobicContact CB-CG2 4.19Å; V35-T97 VanDerWaalsContact CB-OG1 3.22Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 3.08Å; V35-T97 PolarHBondContact O-N 2.95Å; V35-T97 PolarHBondContact O-OG1 3.28Å; Y95-T97 HydrophobicContact CE2-CG2 4.48Å; T97-V126 HydrophobicContact CG2-CG2 3.58Å
98G70.9Confident85.7Confident4 Ų453 Ų534%0.04125%0.248CC..  trans-148.3142.4-178.800000110.9H96 K100 I123H96-G98 PolarHBondContact O-N 3.03Å; G98-K100 PolarHBondContact O-N 2.93Å; G98-I123 WeakPolarHBondContact O-CG2 3.44Å
99P71.4Confident85.8Confident102 Ų10243.1 Ų43.166%0.66221%0.211SC*.SBendtrans-72.7-14.7-175.429.2-34.3000113
100K77.8Confident85.7Confident145 Ų14546.7 Ų46.763%0.6323%0.228SC*.SBendtrans-149.7156.8-179.3-62.7-175.6-177.8171.60111G98 H102G98-K100 PolarHBondContact O-N 2.93Å; K100-H102 PolarHBondContact O-CE1 3.4Å; K100-H102 PolarHBondContact O-ND1 3.47Å; K100-H102 VanDerWaalsContact O-ND1 3.14Å
101L82.6Confident85.6Confident64 Ų6439.9 Ų39.934%0.33520%0.204SC..  trans-65143.9169-78.290.1000111.3L121 I123 Y138 F155L101-L121 HydrophobicContact CD2-CD2 4.31Å; L101-I123 HydrophobicContact CD1-CD1 3.27Å; L101-I123 HydrophobicContact CG-CD1 3.68Å; L101-Y138 HydrophobicContact CD1-CD2 4.3Å; L101-Y138 HydrophobicContact CD1-CE1 4.22Å; L101-Y138 HydrophobicContact CD1-CE2 3.85Å; L101-F155 HydrophobicContact CD2-CB 3.81Å; L101-F155 HydrophobicContact CD2-CD2 3.38Å; L101-F155 HydrophobicContact CD2-CE2 4.11Å; L101-F155 HydrophobicContact CD2-CG 3.76Å
102H82.3Confident85.3Confident73 Ų7339.2 Ų39.234%0.33820%0.201SC..  trans-112.3156.9172-64.972.8000110K100 N104 D105K100-H102 PolarHBondContact O-CE1 3.4Å; K100-H102 PolarHBondContact O-ND1 3.47Å; K100-H102 VanDerWaalsContact O-ND1 3.14Å; H102-N104 PolarHBondContact O-N 3.21Å; H102-D105 PolarHBondContact N-OD2 3.38Å; H102-D105 WeakPolarHBondContact O-CB 3.47Å; H102-D105 VanDerWaalsContact O-CG 3.31Å; H102-D105 PolarHBondContact O-N 3.12Å; H102-D105 VanDerWaalsContact O-N 3.15Å
103K81.4Confident85.1Confident179 Ų17942.9 Ų42.978%0.77822%0.216SC*.THydrogen-bonded Turntrans-61.1-27.6178.5-169.9176.9177.3-175.70112.3D105K103-D105 PolarHBondContact O-N 3.43Å
104N85.4Confident84.7Confident9 Ų953 Ų535%0.04825%0.254CS..THydrogen-bonded Turntrans-69-20.9-178.6-48.3-31.7000112.7E60 D65 H102 I106 A107 I108E60-N104 PolarHBondContact OE1-ND2 2.96Å; D65-N104 VanDerWaalsContact C-CG 3.48Å; D65-N104 VanDerWaalsContact C-ND2 3.29Å; D65-N104 VanDerWaalsContact C-OD1 3.26Å; D65-N104 WeakPolarHBondContact CA-ND2 3.08Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.43Å; D65-N104 PolarHBondContact O-ND2 3.41Å; D65-N104 PolarHBondContact O-OD1 3.17Å; H102-N104 PolarHBondContact O-N 3.21Å; N104-I106 PolarHBondContact O-N 2.86Å; N104-A107 WeakPolarHBondContact O-CB 3.22Å; N104-A107 PolarHBondContact O-N 2.95Å; N104-I108 WeakPolarHBondContact O-CG1 3.34Å; N104-I108 PolarHBondContact O-N 2.88Å
105D87.6Confident84.2Confident0 Ų057.4 Ų57.40%027%0.271CS..Hα-helixtrans-63.5-28-177-61.2-22.9000111.7R34 W94 H96 H102 K103 N109 L121 F155R34-D105 IonicContact CZ-OD1 3.82Å; R34-D105 IonicContact NH1-OD1 3.97Å; R34-D105 PolarHBondContact NH1-OD1 3.28Å; R34-D105 IonicContact NH1-OD2 2.72Å; R34-D105 IonicContact NH2-OD1 4Å; R34-D105 PolarHBondContact NH2-OD1 3.38Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.26Å; H96-D105 IonicContact NE2-OD2 3.93Å; H102-D105 PolarHBondContact N-OD2 3.38Å; H102-D105 WeakPolarHBondContact O-CB 3.47Å; H102-D105 VanDerWaalsContact O-CG 3.31Å; H102-D105 PolarHBondContact O-N 3.12Å; H102-D105 VanDerWaalsContact O-N 3.15Å; K103-D105 PolarHBondContact O-N 3.43Å; D105-N109 WeakPolarHBondContact O-CB 3.48Å; D105-N109 PolarHBondContact O-N 3.36Å; D105-L121 HydrophobicContact CB-CD2 4.45Å; D105-F155 HydrophobicContact CB-CE2 3.88Å; D105-F155 HydrophobicContact CB-CZ 4.23Å
106I86.8Confident83.4Confident57 Ų5758 Ų5829%0.29228%0.276SS..Hα-helixtrans-64.7-44.9173.8-60.8169.7000110.4N104 N109 E110 K153 F155N104-I106 PolarHBondContact O-N 2.86Å; I106-N109 PolarHBondContact O-N 3.01Å; I106-E110 PolarHBondContact O-N 2.92Å; I106-K153 WeakPolarHBondContact CD1-O 3.34Å; I106-K153 HydrophobicContact CG2-CB 4.06Å; I106-K153 HydrophobicContact CG2-CD 4.41Å; I106-F155 HydrophobicContact CG1-CD2 4.35Å; I106-F155 HydrophobicContact CG1-CE2 3.74Å
107A87.3Confident82.5Confident43 Ų4363.5 Ų63.536%0.35531%0.309SS..Hα-helixtrans-69.1-41.8-179.600000111.6W68 N104 N109 E110 L111W68-A107 HydrophobicContact CZ2-CB 4.03Å; N104-A107 WeakPolarHBondContact O-CB 3.22Å; N104-A107 PolarHBondContact O-N 2.95Å; A107-N109 VanDerWaalsContact C-N 3.34Å; A107-E110 PolarHBondContact O-N 2.9Å; A107-L111 PolarHBondContact O-N 2.85Å
108I87.4Confident82.2Confident0 Ų066 Ų660%032%0.322CS..Hα-helixtrans-63.2-43.6175.6-64.8166.3000110.1F58 W68 L70 W94 N104 E110 L111 I112F58-I108 HydrophobicContact CE2-CD1 3.78Å; F58-I108 HydrophobicContact CZ-CD1 3.86Å; W68-I108 HydrophobicContact CD2-CD1 4.36Å; W68-I108 HydrophobicContact CD2-CG1 3.79Å; W68-I108 HydrophobicContact CE3-CG1 3.95Å; W68-I108 HydrophobicContact CG-CG1 4.4Å; W68-I108 HydrophobicContact CH2-CG1 3.96Å; W68-I108 HydrophobicContact CZ2-CG1 3.81Å; W68-I108 HydrophobicContact CZ3-CG1 4.04Å; L70-I108 HydrophobicContact CD1-CG2 4.38Å; W94-I108 HydrophobicContact CD2-CG2 4.17Å; W94-I108 HydrophobicContact CE3-CG2 4.06Å; W94-I108 HydrophobicContact CH2-CB 3.93Å; W94-I108 HydrophobicContact CH2-CD1 4.41Å; W94-I108 HydrophobicContact CH2-CG2 3.64Å; W94-I108 HydrophobicContact CZ2-CB 4.05Å; W94-I108 HydrophobicContact CZ2-CG2 3.78Å; W94-I108 HydrophobicContact CZ3-CB 4.5Å; W94-I108 HydrophobicContact CZ3-CG2 3.79Å; N104-I108 WeakPolarHBondContact O-CG1 3.34Å; N104-I108 PolarHBondContact O-N 2.88Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.24Å; I108-L111 WeakPolarHBondContact O-CB 3.45Å; I108-L111 PolarHBondContact O-N 3.09Å; I108-I112 HydrophobicContact CG2-CD1 3.91Å; I108-I112 WeakPolarHBondContact O-CG1 3.38Å; I108-I112 PolarHBondContact O-N 2.78Å; I108-I112 VanDerWaalsContact O-N 3.09Å
109N87.9Confident82.9Confident3 Ų366 Ų662%0.01632%0.322CS..Hα-helixtrans-64.7-38.7179.1-169.147.9000112.4W94 D105 I106 A107 L111 I112 K113 S119 S140 F155W94-N109 HydrophobicContact CZ2-CB 4.08Å; W94-N109 PolarHBondContact NE1-OD1 2.87Å; D105-N109 WeakPolarHBondContact O-CB 3.48Å; D105-N109 PolarHBondContact O-N 3.36Å; I106-N109 PolarHBondContact O-N 3.01Å; A107-N109 VanDerWaalsContact C-N 3.34Å; N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 PolarHBondContact O-N 3.24Å; N109-I112 PolarHBondContact O-N 2.98Å; N109-K113 WeakPolarHBondContact O-CB 3.43Å; N109-K113 PolarHBondContact O-N 3.36Å; N109-S119 WeakPolarHBondContact OD1-CB 3.3Å; N109-S119 PolarHBondContact OD1-OG 3.24Å; N109-S140 WeakPolarHBondContact ND2-CB 3.45Å; N109-F155 HydrophobicContact CB-CE1 4.36Å; N109-F155 HydrophobicContact CB-CZ 4.01Å
110E86Confident83.8Confident100 Ų10061.2 Ų61.247%0.46729%0.29SS..Hα-helixtrans-63.3-34.2176.3-177.7156.7-134.300112.5I106 A107 I108 K113 K153I106-E110 PolarHBondContact O-N 2.92Å; A107-E110 PolarHBondContact O-N 2.9Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.24Å; E110-K113 WeakPolarHBondContact O-CB 3.43Å; E110-K113 PolarHBondContact O-N 2.82Å; E110-K153 IonicContact OE1-NZ 3.67Å; E110-K153 PolarHBondContact OE1-NZ 2.99Å; E110-K153 IonicContact OE2-NZ 3.9Å
111L86.2Confident84.5Confident25 Ų2554.3 Ų54.313%0.13126%0.26CS..Hα-helixtrans-66.1-47.8174.1-170.6141.7000111.5W68 L70 H72 A107 I108 N109 K113 R114 Y115W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.71Å; W68-L111 HydrophobicContact CZ3-CD1 4.22Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.29Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.37Å; H72-L111 WeakPolarHBondContact ND1-CD2 3.5Å; H72-L111 VanDerWaalsContact NE2-CD1 3.26Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.35Å; A107-L111 PolarHBondContact O-N 2.85Å; I108-L111 WeakPolarHBondContact O-CB 3.45Å; I108-L111 PolarHBondContact O-N 3.09Å; N109-L111 VanDerWaalsContact C-N 3.26Å; N109-L111 PolarHBondContact O-N 3.24Å; L111-K113 PolarHBondContact O-N 2.84Å; L111-R114 VanDerWaalsContact O-CB 3.31Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.43Å; L111-R114 PolarHBondContact O-N 3.45Å; L111-R114 VanDerWaalsContact O-N 3.15Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å
112I85Confident84.9Confident2 Ų251.4 Ų51.41%0.0125%0.245CC..Hα-helixtrans-69.4-26.1-178.5-64.7173.7000110.7W94 I108 N109 R114 Y115 C116W94-I112 HydrophobicContact CB-CD1 3.51Å; W94-I112 HydrophobicContact CD2-CD1 3.81Å; W94-I112 HydrophobicContact CG-CD1 3.33Å; I108-I112 HydrophobicContact CG2-CD1 3.91Å; I108-I112 WeakPolarHBondContact O-CG1 3.38Å; I108-I112 PolarHBondContact O-N 2.78Å; I108-I112 VanDerWaalsContact O-N 3.09Å; N109-I112 PolarHBondContact O-N 2.98Å; I112-R114 PolarHBondContact O-N 2.88Å; I112-R114 VanDerWaalsContact O-N 3.12Å; I112-Y115 PolarHBondContact O-N 3.07Å; I112-C116 PolarHBondContact O-N 2.66Å; I112-C116 VanDerWaalsContact O-N 3.1Å
113K85Confident85.3Confident86 Ų8648.3 Ų48.337%0.37423%0.231SC..THydrogen-bonded Turntrans-60.5-21.2173.7-155.7170.7-175172.70113.5N109 E110 L111 Y115 C116 T117N109-K113 WeakPolarHBondContact O-CB 3.43Å; N109-K113 PolarHBondContact O-N 3.36Å; E110-K113 WeakPolarHBondContact O-CB 3.43Å; E110-K113 PolarHBondContact O-N 2.82Å; L111-K113 PolarHBondContact O-N 2.84Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 3.48Å; K113-C116 CarbonylContact C-O 3.55Å; K113-C116 WeakPolarHBondContact CA-O 3.49Å; K113-C116 CarbonylContact O-C 3.56Å; K113-C116 PolarHBondContact O-N 2.92Å; K113-C116 VanDerWaalsContact O-O 3.05Å; K113-T117 WeakPolarHBondContact CE-O 3.41Å
114R84.8Confident85.7Confident212 Ų21240 Ų4080%0.820%0.195SC*.THydrogen-bonded Turntrans-66.8-31.1172.5-61.2-178.8-176.4-174.72.3112.6L111 I112L111-R114 VanDerWaalsContact O-CB 3.31Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.43Å; L111-R114 PolarHBondContact O-N 3.45Å; L111-R114 VanDerWaalsContact O-N 3.15Å; I112-R114 PolarHBondContact O-N 2.88Å; I112-R114 VanDerWaalsContact O-N 3.12Å
115Y82.4Confident85.7Confident93 Ų9340.9 Ų40.937%0.36520%0.2SC..THydrogen-bonded Turntrans-88.4-31.2176.9-61-83.8000111.6L75 L111 I112 K113L75-Y115 HydrophobicContact CD2-CD1 4.23Å; L75-Y115 HydrophobicContact CD2-CE1 4.17Å; L75-Y115 HydrophobicContact CD2-CG 4.47Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å; I112-Y115 PolarHBondContact O-N 3.07Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 3.48Å
116C76.8Confident85.1Confident13 Ų1342.3 Ų42.39%0.08821%0.208CC..  trans-137.1121.4-175-62.30000112.4I91 I112 K113 N118I91-C116 WeakPolarHBondContact CB-SG 3.5Å; I91-C116 WeakPolarHBondContact CG2-SG 3.38Å; I91-C116 PolarHBondContact O-SG 2.88Å; I112-C116 PolarHBondContact O-N 2.66Å; I112-C116 VanDerWaalsContact O-N 3.1Å; K113-C116 CarbonylContact C-O 3.55Å; K113-C116 WeakPolarHBondContact CA-O 3.49Å; K113-C116 CarbonylContact O-C 3.56Å; K113-C116 PolarHBondContact O-N 2.92Å; K113-C116 VanDerWaalsContact O-O 3.05Å; C116-N118 VanDerWaalsContact C-N 3.27Å; C116-N118 PolarHBondContact O-N 2.96Å
117T72.7Confident84.7Confident115 Ų11546.7 Ų46.771%0.70623%0.225SC*.THydrogen-bonded Turntrans-61.8-36.3179.155.70000112.8K113K113-T117 WeakPolarHBondContact CE-O 3.41Å
118N77.5Confident83.8Confident62 Ų6250.6 Ų50.633%0.33225%0.247SC..THydrogen-bonded Turntrans-114.857.3-176.3-53.5-7.7000110.7A5 W43 C116 V120A5-N118 WeakPolarHBondContact CB-ND2 3.34Å; W43-N118 HydrophobicContact CH2-CB 3.46Å; W43-N118 VanDerWaalsContact CH2-CB 3.46Å; W43-N118 WeakPolarHBondContact CH2-ND2 3.31Å; W43-N118 HydrophobicContact CZ2-CB 4.47Å; W43-N118 HydrophobicContact CZ3-CB 3.83Å; C116-N118 VanDerWaalsContact C-N 3.27Å; C116-N118 PolarHBondContact O-N 2.96Å; N118-V120 PolarHBondContact O-N 3.23Å
119S85.9Confident82.9Confident4 Ų457.1 Ų57.13%0.02828%0.275CS..PPolyproline II helixtrans-63.9121.4178.2179.70000111.2N109N109-S119 WeakPolarHBondContact OD1-CB 3.3Å; N109-S119 PolarHBondContact OD1-OG 3.24Å
120V90.4Very high81.4Confident1 Ų165 Ų651%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-99.4136.2171.8177.70000109.7V6 V9 L48 V92 G93 W94 N118 V122 A137V6-V120 HydrophobicContact CG2-CG2 4.09Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; L48-V120 HydrophobicContact CD2-CB 3.88Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.63Å; V92-V120 PolarHBondContact O-N 2.91Å; G93-V120 CarbonylContact C-O 3.58Å; G93-V120 WeakPolarHBondContact CA-O 3.41Å; W94-V120 PolarHBondContact N-O 3.12Å; N118-V120 PolarHBondContact O-N 3.23Å; V120-V122 HydrophobicContact CG1-CG2 4.1Å; V120-A137 HydrophobicContact CG1-CB 4.37Å
121L92Very high80.5Confident0 Ų063.3 Ų63.30%031%0.311CS..EExtended strand (participates in β ladder)trans-95.3124.9170.4168.361.9000109.1W94 H96 L101 D105 I123 A137 Y138 F155W94-L121 HydrophobicContact CD2-CD1 3.81Å; W94-L121 HydrophobicContact CE3-CD1 3.82Å; W94-L121 HydrophobicContact CH2-CD1 3.71Å; W94-L121 HydrophobicContact CZ2-CD1 3.65Å; W94-L121 HydrophobicContact CZ2-CD2 4.29Å; W94-L121 HydrophobicContact CZ2-CG 4.36Å; W94-L121 HydrophobicContact CZ3-CD1 3.8Å; W94-L121 WeakPolarHBondContact O-CA 3.2Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.35Å; L101-L121 HydrophobicContact CD2-CD2 4.31Å; D105-L121 HydrophobicContact CB-CD2 4.45Å; L121-I123 HydrophobicContact CG-CG1 4.4Å; L121-A137 CarbonylContact O-C 3.6Å; L121-A137 WeakPolarHBondContact O-CA 3.47Å; L121-Y138 PolarHBondContact N-O 2.88Å; L121-Y138 PolarHBondContact O-N 3.33Å; L121-F155 HydrophobicContact CB-CE1 4.21Å; L121-F155 HydrophobicContact CD2-CD1 4.35Å; L121-F155 HydrophobicContact CD2-CE1 4.01Å; L121-F155 HydrophobicContact CD2-CE2 4.38Å; L121-F155 HydrophobicContact CD2-CZ 4.03Å
122V91.7Very high79.9Confident2 Ų265.5 Ų65.51%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-114.6120.2172.2-173.20000109.9V9 V11 L39 W94 Y95 H96 V120 I124 E136 A137V9-V122 HydrophobicContact CG1-CG2 4.4Å; V11-V122 HydrophobicContact CG2-CG1 4.34Å; L39-V122 HydrophobicContact CD1-CB 3.83Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å; W94-V122 PolarHBondContact O-N 3.13Å; Y95-V122 WeakPolarHBondContact CA-O 3.5Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.4Å; H96-V122 PolarHBondContact N-O 3.37Å; V120-V122 HydrophobicContact CG1-CG2 4.1Å; V122-I124 HydrophobicContact CG1-CD1 4.47Å; V122-I124 HydrophobicContact CG1-CG1 3.99Å; V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.42Å; V122-A137 HydrophobicContact CG2-CB 4.46Å
123I91.3Very high79.6Confident9 Ų970 Ų705%0.04636%0.364CS..EExtended strand (participates in β ladder)trans-89.7122.9173.2-54.2-170.7000107.8G98 L101 L121 T135 E136 Y138G98-I123 WeakPolarHBondContact O-CG2 3.44Å; L101-I123 HydrophobicContact CD1-CD1 3.27Å; L101-I123 HydrophobicContact CG-CD1 3.68Å; L121-I123 HydrophobicContact CG-CG1 4.4Å; I123-T135 WeakPolarHBondContact O-CA 3.26Å; I123-E136 HydrophobicContact CB-CB 4.4Å; I123-E136 PolarHBondContact N-O 2.9Å; I123-E136 PolarHBondContact O-N 3.28Å; I123-Y138 HydrophobicContact CB-CE2 4.48Å; I123-Y138 HydrophobicContact CD1-CD2 3.9Å; I123-Y138 HydrophobicContact CD1-CE2 3.53Å; I123-Y138 HydrophobicContact CG1-CD2 3.96Å; I123-Y138 HydrophobicContact CG1-CE2 3.88Å
124I89.1Confident79.5Confident3 Ų368.5 Ų68.52%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-115.5117.6178.4-58.6172000107.5V15 L16 V19 Y95 H96 V122 V126 T135V15-I124 HydrophobicContact CG1-CD1 4.29Å; L16-I124 HydrophobicContact CD2-CD1 4.17Å; L16-I124 HydrophobicContact CD2-CG1 4.34Å; L16-I124 HydrophobicContact CD2-CG2 3.91Å; V19-I124 HydrophobicContact CB-CD1 4.21Å; V19-I124 HydrophobicContact CB-CG2 4.42Å; V19-I124 HydrophobicContact CG1-CB 4.12Å; V19-I124 HydrophobicContact CG1-CD1 4.21Å; V19-I124 HydrophobicContact CG1-CG2 3.94Å; V19-I124 HydrophobicContact CG2-CD1 3.48Å; V19-I124 VanDerWaalsContact CG2-CD1 3.48Å; Y95-I124 HydrophobicContact CD2-CD1 4.31Å; Y95-I124 HydrophobicContact CG-CD1 4.32Å; H96-I124 PolarHBondContact O-N 3.44Å; V122-I124 HydrophobicContact CG1-CD1 4.47Å; V122-I124 HydrophobicContact CG1-CG1 3.99Å; I124-V126 PolarHBondContact O-N 3.47Å; I124-T135 HydrophobicContact CG1-CG2 4.38Å
125D85.3Confident79.6Confident29 Ų2958.6 Ų58.616%0.15533%0.326CS..  trans-77.8122.1174.1-157.9-17.8000109.9K127 K129 P134D125-K127 VanDerWaalsContact C-N 3.32Å; D125-K127 PolarHBondContact OD1-N 3.17Å; D125-K129 WeakPolarHBondContact OD2-CE 3.48Å; D125-K129 IonicContact OD2-NZ 3.87Å; D125-K129 PolarHBondContact OD2-NZ 3.25Å; D125-P134 PolarHBondContact N-O 3.13Å
126V75.9Confident79.9Confident29 Ų2957.9 Ų57.918%0.17633%0.326CS..SBendtrans-81.9-20178-171.40000111.1F23 T97 I124F23-V126 HydrophobicContact CB-CG1 3.97Å; F23-V126 HydrophobicContact CB-CG2 4.15Å; F23-V126 HydrophobicContact CD1-CB 4.3Å; F23-V126 HydrophobicContact CD1-CG1 3.42Å; F23-V126 VanDerWaalsContact CD1-CG1 3.42Å; F23-V126 HydrophobicContact CD2-CB 4.45Å; F23-V126 HydrophobicContact CD2-CG1 4.33Å; F23-V126 HydrophobicContact CD2-CG2 3.96Å; F23-V126 HydrophobicContact CE1-CG1 3.91Å; F23-V126 HydrophobicContact CE2-CG2 4.49Å; F23-V126 HydrophobicContact CG-CB 4.24Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.96Å; T97-V126 HydrophobicContact CG2-CG2 3.58Å; I124-V126 PolarHBondContact O-N 3.47Å
127K77.8Confident80.5Confident150 Ų15057.3 Ų57.365%0.65232%0.322SS*.SBendtrans-91.9119.2175.4-67.6-179.5-177.4175.80108D125 K129D125-K127 VanDerWaalsContact C-N 3.32Å; D125-K127 PolarHBondContact OD1-N 3.17Å; K127-K129 PolarHBondContact O-N 3.17Å
128P68.4Low81.4Confident124 Ų12453.4 Ų53.481%0.80529%0.294SS*.PPolyproline II helixtrans-62.9116.617825.8-31.9000108.6
129K68.4Low81.9Confident137 Ų13751.3 Ų51.360%0.59628%0.283SS*.PPolyproline II helixtrans-83.6140.8165.5-70.3173176.5139.80107.8D125 K127 L131D125-K129 WeakPolarHBondContact OD2-CE 3.48Å; D125-K129 IonicContact OD2-NZ 3.87Å; D125-K129 PolarHBondContact OD2-NZ 3.25Å; K127-K129 PolarHBondContact O-N 3.17Å; K129-L131 PolarHBondContact O-N 3.35Å
130D56.6Low81.8Confident170 Ų17052.1 Ų52.191%0.90929%0.288SS*.SBendtrans-62.7-15.9-176.8-69.9-34.8000113.9
131L68.3Low81.5Confident63 Ų6353.6 Ų53.633%0.3330%0.298SS..SBendtrans-148.5127.9-174.4-137.188.6000112.1K129 K199 G200K129-L131 PolarHBondContact O-N 3.35Å; L131-K199 HydrophobicContact CD1-CB 4.28Å; L131-K199 HydrophobicContact CD1-CD 4.16Å; L131-K199 HydrophobicContact CD2-CB 3.47Å; L131-K199 VanDerWaalsContact CD2-CB 3.47Å; L131-G200 VanDerWaalsContact CD2-N 3.28Å
132G71.8Confident80.9Confident71 Ų7159.5 Ų59.573%0.73233%0.325SS*.SBendtrans114.9172.9174.900000113.6
133L80.1Confident79.8Confident97 Ų9762.9 Ų62.951%0.50834%0.341SS..  trans-78.4131.2170.4-69.3156.8000107.8T135 S160 I162L133-T135 PolarHBondContact O-N 3.41Å; L133-S160 WeakPolarHBondContact CD1-O 3.36Å; L133-I162 HydrophobicContact CD2-CD1 3.62Å; L133-I162 HydrophobicContact CD2-CG1 3.88Å
134P83.3Confident78.9Confident54 Ų5469.2 Ų69.235%0.35137%0.373SS..SBendtrans-764.5177.432.7-36.3000113.1D125D125-P134 PolarHBondContact N-O 3.13Å
135T86.1Confident77.8Confident5 Ų572.1 Ų72.13%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-115119.5-176.449.40000111.3V11 L16 I123 I124 L133 S160V11-T135 HydrophobicContact CB-CG2 4.4Å; V11-T135 HydrophobicContact CG1-CG2 4.34Å; V11-T135 HydrophobicContact CG2-CG2 4.41Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; I123-T135 WeakPolarHBondContact O-CA 3.26Å; I124-T135 HydrophobicContact CG1-CG2 4.38Å; L133-T135 PolarHBondContact O-N 3.41Å; T135-S160 WeakPolarHBondContact CB-OG 3.41Å; T135-S160 WeakPolarHBondContact O-CB 3.5Å; T135-S160 PolarHBondContact O-OG 3.23Å; T135-S160 VanDerWaalsContact O-OG 3.12Å; T135-S160 PolarHBondContact OG1-OG 3.44Å
136E88.3Confident76.7Confident78 Ų7879.2 Ų79.236%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-116.4127.5171.1-63177.2-179.300108.8V122 I123 Y138V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.42Å; I123-E136 HydrophobicContact CB-CB 4.4Å; I123-E136 PolarHBondContact N-O 2.9Å; I123-E136 PolarHBondContact O-N 3.28Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.54Å; E136-Y138 PolarHBondContact OE2-OH 2.97Å
137A90.8Very high76Confident0 Ų083.6 Ų83.60%045%0.447CS..EExtended strand (participates in β ladder)trans-106.2138.7179.700000110.2V9 V120 L121 V122 H157 V158V9-A137 HydrophobicContact CB-CB 3.93Å; V9-A137 HydrophobicContact CG1-CB 4.29Å; V9-A137 HydrophobicContact CG2-CB 3.82Å; V120-A137 HydrophobicContact CG1-CB 4.37Å; L121-A137 CarbonylContact O-C 3.6Å; L121-A137 WeakPolarHBondContact O-CA 3.47Å; V122-A137 HydrophobicContact CG2-CB 4.46Å; A137-H157 WeakPolarHBondContact O-CA 3.35Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 2.89Å
138Y90.4Very high75.3Confident34 Ų3480 Ų8013%0.13345%0.452CS..EExtended strand (participates in β ladder)trans-133.6140.9-178.1-64.3-84.7000110.6L101 L121 I123 E136 F155 E156 H157L101-Y138 HydrophobicContact CD1-CD2 4.3Å; L101-Y138 HydrophobicContact CD1-CE1 4.22Å; L101-Y138 HydrophobicContact CD1-CE2 3.85Å; L121-Y138 PolarHBondContact N-O 2.88Å; L121-Y138 PolarHBondContact O-N 3.33Å; I123-Y138 HydrophobicContact CB-CE2 4.48Å; I123-Y138 HydrophobicContact CD1-CD2 3.9Å; I123-Y138 HydrophobicContact CD1-CE2 3.53Å; I123-Y138 HydrophobicContact CG1-CD2 3.96Å; I123-Y138 HydrophobicContact CG1-CE2 3.88Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.54Å; E136-Y138 PolarHBondContact OE2-OH 2.97Å; Y138-F155 HydrophobicContact CD1-CB 4.15Å; Y138-F155 HydrophobicContact CG-CB 4.4Å; Y138-E156 CarbonylContact C-O 3.48Å; Y138-E156 VanDerWaalsContact CA-O 3.27Å; Y138-E156 WeakPolarHBondContact CA-O 3.34Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å
139I87.9Confident75.5Confident18 Ų1877 Ų779%0.09243%0.432CS..EExtended strand (participates in β ladder)trans-115.1140.8172.4-168.2165.7000109.4L4 V141 F155 E156 V158L4-I139 HydrophobicContact CD2-CG2 4.24Å; I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.46Å; I139-F155 WeakPolarHBondContact O-CA 3.5Å; I139-E156 HydrophobicContact CG2-CB 4.18Å; I139-E156 PolarHBondContact N-O 2.98Å; I139-E156 PolarHBondContact O-N 3.07Å; I139-V158 HydrophobicContact CB-CG2 3.93Å; I139-V158 HydrophobicContact CG2-CG2 3.56Å
140S84.7Confident75.7Confident20 Ų2075.9 Ų75.914%0.1444%0.438CS..EExtended strand (participates in β ladder)trans-83.2116.6175.6177.50000109.9N109 T154N109-S140 WeakPolarHBondContact ND2-CB 3.45Å; S140-T154 WeakPolarHBondContact CA-O 3.47Å
141V82.6Confident76.5Confident33 Ų3372.3 Ų72.320%0.242%0.423CS..EExtended strand (participates in β ladder)trans-117.8145176.3-70.40000109.6I139 E143 K153 T154 E156I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.46Å; V141-E143 HydrophobicContact CG2-CG 4.03Å; V141-E143 PolarHBondContact O-N 3.45Å; V141-K153 WeakPolarHBondContact O-CA 3.14Å; V141-T154 PolarHBondContact N-O 3.48Å; V141-T154 PolarHBondContact O-N 3.4Å; V141-T154 VanDerWaalsContact O-O 3.12Å; V141-E156 HydrophobicContact CG2-CB 3.73Å
142E79.4Confident76.7Confident123 Ų12371.4 Ų71.458%0.57542%0.422SS*.EExtended strand (participates in β ladder)trans-90.9100.6171.5-74.7174.7-168.700107.2K153E142-K153 HydrophobicContact CG-CD 4.48Å; E142-K153 HydrophobicContact CG-CG 3.59Å; E142-K153 WeakPolarHBondContact OE1-CE 3.38Å; E142-K153 IonicContact OE1-NZ 2.78Å
143E69.6Low77.1Confident73 Ų7370.8 Ų70.834%0.34140%0.399SS..EExtended strand (participates in β ladder)trans-88.4129.1176.4-73.4-178.4151.400109.6V141 S152 T154V141-E143 HydrophobicContact CG2-CG 4.03Å; V141-E143 PolarHBondContact O-N 3.45Å; E143-S152 PolarHBondContact N-O 3.44Å; E143-S152 VanDerWaalsContact N-O 3.11Å; E143-S152 PolarHBondContact O-N 3.01Å; E143-T154 WeakPolarHBondContact CG-OG1 3.49Å; E143-T154 PolarHBondContact OE2-OG1 2.85Å
144I71.5Confident77.2Confident142 Ų14267.7 Ų67.773%0.72838%0.384SS*.  trans-88.1107.5167.4-50.5172.6000105.4T151I144-T151 HydrophobicContact CG1-CG2 3.96Å
145H66Low77.4Confident65 Ų6567 Ų6730%0.30138%0.375SS..  trans-70.1134.3175-68.5-56.2000110D147 G148 T149H145-D147 PolarHBondContact O-N 2.98Å; H145-D147 VanDerWaalsContact O-N 3.16Å; H145-G148 PolarHBondContact O-N 3.49Å; H145-T149 VanDerWaalsContact CB-OG1 3.27Å; H145-T149 WeakPolarHBondContact CB-OG1 3.44Å; H145-T149 PolarHBondContact CD2-OG1 2.94Å
146D63.1Low77.4Confident178 Ų17870.5 Ų70.595%0.95239%0.392SS*.THydrogen-bonded Turntrans-68.9-7.8175.4-154.424.2000112.6G148D146-G148 VanDerWaalsContact C-N 3.26Å; D146-G148 PolarHBondContact O-N 3.33Å
147D61.3Low77.3Confident121 Ų12171.6 Ų71.665%0.64740%0.397SS*.THydrogen-bonded Turntrans-83.78.1178.9-160.136.2000113.4H145 T149H145-D147 PolarHBondContact O-N 2.98Å; H145-D147 VanDerWaalsContact O-N 3.16Å; D147-T149 PolarHBondContact O-N 3.28Å
148G63Low77.2Confident73 Ų7372.1 Ų72.175%0.75340%0.4SS*.SBendtrans71.49.3177.800000115.1H145 D146H145-G148 PolarHBondContact O-N 3.49Å; D146-G148 VanDerWaalsContact C-N 3.26Å; D146-G148 PolarHBondContact O-N 3.33Å
149T72.8Confident77.2Confident63 Ų6374.3 Ų74.339%0.38742%0.417SS..PPolyproline II helixtrans-73.2151.8171.850.60000111H145 D147H145-T149 VanDerWaalsContact CB-OG1 3.27Å; H145-T149 WeakPolarHBondContact CB-OG1 3.44Å; H145-T149 PolarHBondContact CD2-OG1 2.94Å; D147-T149 PolarHBondContact O-N 3.28Å
150P73.1Confident77.2Confident112 Ų11274.2 Ų74.273%0.72742%0.418SS*.PPolyproline II helixtrans-56.1151.4177.2-21.431.5000111.5S152P150-S152 PolarHBondContact O-N 3.33Å; P150-S152 VanDerWaalsContact O-N 3.08Å
151T72Confident77.5Confident95 Ų9577.9 Ų77.958%0.58343%0.433SS*.PPolyproline II helixtrans-51.5118175.549.10000110.7I144I144-T151 HydrophobicContact CG1-CG2 3.96Å
152S73.4Confident77.9Confident45 Ų4579.6 Ų79.632%0.31544%0.44SS..EExtended strand (participates in β ladder)trans-107.8133.6-178.3163.90000108.5E143 P150 T154E143-S152 PolarHBondContact N-O 3.44Å; E143-S152 VanDerWaalsContact N-O 3.11Å; E143-S152 PolarHBondContact O-N 3.01Å; P150-S152 PolarHBondContact O-N 3.33Å; P150-S152 VanDerWaalsContact O-N 3.08Å; S152-T154 PolarHBondContact O-N 3.14Å
153K80.4Confident78.3Confident57 Ų5774.7 Ų74.725%0.24842%0.423CS..EExtended strand (participates in β ladder)trans-79.1108.5169.5-76.5175.8-176.9172.50107.8I106 E110 V141 E142I106-K153 WeakPolarHBondContact CD1-O 3.34Å; I106-K153 HydrophobicContact CG2-CB 4.06Å; I106-K153 HydrophobicContact CG2-CD 4.41Å; E110-K153 IonicContact OE1-NZ 3.67Å; E110-K153 PolarHBondContact OE1-NZ 2.99Å; E110-K153 IonicContact OE2-NZ 3.9Å; V141-K153 WeakPolarHBondContact O-CA 3.14Å; E142-K153 HydrophobicContact CG-CD 4.48Å; E142-K153 HydrophobicContact CG-CG 3.59Å; E142-K153 WeakPolarHBondContact OE1-CE 3.38Å; E142-K153 IonicContact OE1-NZ 2.78Å
154T82.5Confident79.2Confident32 Ų3273.8 Ų73.820%0.19643%0.427CS..EExtended strand (participates in β ladder)trans-107.7162.1176.152.70000110.1S140 V141 E143 S152S140-T154 WeakPolarHBondContact CA-O 3.47Å; V141-T154 PolarHBondContact N-O 3.48Å; V141-T154 PolarHBondContact O-N 3.4Å; V141-T154 VanDerWaalsContact O-O 3.12Å; E143-T154 WeakPolarHBondContact CG-OG1 3.49Å; E143-T154 PolarHBondContact OE2-OG1 2.85Å; S152-T154 PolarHBondContact O-N 3.14Å
155F86.6Confident80Confident39 Ų3972.7 Ų72.717%0.17142%0.419CS..EExtended strand (participates in β ladder)trans-100.3119.7172.4-77.7-69.3000108.6L101 D105 I106 N109 L121 Y138 I139L101-F155 HydrophobicContact CD2-CB 3.81Å; L101-F155 HydrophobicContact CD2-CD2 3.38Å; L101-F155 HydrophobicContact CD2-CE2 4.11Å; L101-F155 HydrophobicContact CD2-CG 3.76Å; D105-F155 HydrophobicContact CB-CE2 3.88Å; D105-F155 HydrophobicContact CB-CZ 4.23Å; I106-F155 HydrophobicContact CG1-CD2 4.35Å; I106-F155 HydrophobicContact CG1-CE2 3.74Å; N109-F155 HydrophobicContact CB-CE1 4.36Å; N109-F155 HydrophobicContact CB-CZ 4.01Å; L121-F155 HydrophobicContact CB-CE1 4.21Å; L121-F155 HydrophobicContact CD2-CD1 4.35Å; L121-F155 HydrophobicContact CD2-CE1 4.01Å; L121-F155 HydrophobicContact CD2-CE2 4.38Å; L121-F155 HydrophobicContact CD2-CZ 4.03Å; Y138-F155 HydrophobicContact CD1-CB 4.15Å; Y138-F155 HydrophobicContact CG-CB 4.4Å; I139-F155 WeakPolarHBondContact O-CA 3.5Å
156E85Confident81Confident80 Ų8077.3 Ų77.337%0.37444%0.441SS..EExtended strand (participates in β ladder)trans-96.6135.4172.8-173176.2-172.300109Y138 I139 V141Y138-E156 CarbonylContact C-O 3.48Å; Y138-E156 VanDerWaalsContact CA-O 3.27Å; Y138-E156 WeakPolarHBondContact CA-O 3.34Å; I139-E156 HydrophobicContact CG2-CB 4.18Å; I139-E156 PolarHBondContact N-O 2.98Å; I139-E156 PolarHBondContact O-N 3.07Å; V141-E156 HydrophobicContact CG2-CB 3.73Å
157H86.9Confident82.2Confident101 Ų10172.7 Ų72.747%0.46843%0.427SS..EExtended strand (participates in β ladder)trans-75.3128179.9175.1-80.9000110.6A137 Y138A137-H157 WeakPolarHBondContact O-CA 3.35Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å
158V89.3Confident83.5Confident11 Ų1168.5 Ų68.57%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-105.3144.5173.8-177.90000109.1V6 E7 V9 A137 I139 S160V6-V158 HydrophobicContact CG1-CG1 4.24Å; E7-V158 WeakPolarHBondContact O-CG1 3.32Å; V9-V158 HydrophobicContact CG2-CG1 4.17Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 2.89Å; I139-V158 HydrophobicContact CB-CG2 3.93Å; I139-V158 HydrophobicContact CG2-CG2 3.56Å; V158-S160 PolarHBondContact O-N 3.41Å
159T89.3Confident84.5Confident79 Ų7970.7 Ų70.749%0.48539%0.394SS..EExtended strand (participates in β ladder)trans-59.5125.5176.929.50000111.2E7 N8 V9E7-T159 PolarHBondContact O-OG1 3.18Å; N8-T159 WeakPolarHBondContact CA-O 3.49Å; N8-T159 WeakPolarHBondContact OD1-CB 3.46Å; N8-T159 PolarHBondContact OD1-OG1 2.86Å; V9-T159 PolarHBondContact N-O 3.4Å
160S89.1Confident85.3Confident17 Ų1772.1 Ų72.112%0.11940%0.403CS..EExtended strand (participates in β ladder)trans-114.8134.2-178.1168.40000109.3V9 L133 T135 V158V9-S160 WeakPolarHBondContact O-CA 3.42Å; L133-S160 WeakPolarHBondContact CD1-O 3.36Å; T135-S160 WeakPolarHBondContact CB-OG 3.41Å; T135-S160 WeakPolarHBondContact O-CB 3.5Å; T135-S160 PolarHBondContact O-OG 3.23Å; T135-S160 VanDerWaalsContact O-OG 3.12Å; T135-S160 PolarHBondContact OG1-OG 3.44Å; V158-S160 PolarHBondContact O-N 3.41Å
161E90.6Very high85.9Confident97 Ų9768.4 Ų68.445%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-134.1157.4172.566.2-174.1167.300110.9V9 V10 V11V9-E161 PolarHBondContact O-N 3.43Å; V10-E161 WeakPolarHBondContact CA-O 3.45Å; V10-E161 HydrophobicContact CB-CG 4.44Å; V10-E161 HydrophobicContact CG2-CG 3.81Å; V10-E161 WeakPolarHBondContact CG2-OE1 3.45Å; V11-E161 PolarHBondContact N-O 3.42Å
162I90.4Very high86.7Confident69 Ų6966.2 Ų66.235%0.35437%0.371SS..EExtended strand (participates in β ladder)trans-100.5111.8175.2-60.6168.6000106.9V11 P13 L16 L133V11-I162 WeakPolarHBondContact O-CA 3.49Å; V11-I162 WeakPolarHBondContact O-CG2 3.46Å; P13-I162 HydrophobicContact CG-CG2 4.05Å; L16-I162 HydrophobicContact CD1-CD1 3.98Å; L16-I162 HydrophobicContact CD1-CG1 4.42Å; L133-I162 HydrophobicContact CD2-CD1 3.62Å; L133-I162 HydrophobicContact CD2-CG1 3.88Å
163G89.3Confident87.2Confident20 Ų2069.7 Ų69.721%0.20638%0.382CS..  trans-105.7155.2173.600000110.2V11 H12 P13V11-G163 PolarHBondContact O-N 3.36Å; H12-G163 WeakPolarHBondContact CA-O 3.07Å; P13-G163 WeakPolarHBondContact CD-O 3.38Å
164A87.3Confident87.5Confident53 Ų5373.6 Ų73.644%0.43840%0.401SS..  trans-128.7144.1175.300000109.8P13 E169P13-A164 HydrophobicContact CG-CB 4.36Å; A164-E169 HydrophobicContact CB-CB 4.42Å
165E88.1Confident87.6Confident119 Ų11978 Ų7856%0.55642%0.423SS*.  trans-80.6154.9166.8-169.4170.5-177.400110A167 E168 E169E165-A167 PolarHBondContact O-N 3.02Å; E165-A167 VanDerWaalsContact O-N 3.15Å; E165-E168 HydrophobicContact CB-CG 4.49Å; E165-E168 CarbonylContact O-C 3.58Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.34Å; E165-E168 PolarHBondContact O-N 3.15Å; E165-E169 PolarHBondContact O-N 2.96Å
166E87.1Confident87.5Confident163 Ų16378.7 Ų78.776%0.76243%0.428SS*.Hα-helixtrans-52.7-40.2-177.1-173.8178.3-179.400112.7E169 V170E166-E169 PolarHBondContact O-N 3.48Å; E166-V170 WeakPolarHBondContact O-CG2 3.27Å; E166-V170 PolarHBondContact O-N 3.31Å
167A88.9Confident87.3Confident80 Ų8084 Ų8466%0.66145%0.445SS*.Hα-helixtrans-67.6-37.6176.900000112.8E165 G171E165-A167 PolarHBondContact O-N 3.02Å; E165-A167 VanDerWaalsContact O-N 3.15Å; A167-G171 PolarHBondContact O-N 2.91Å
168E87.8Confident86.6Confident33 Ų3386.8 Ų86.815%0.15446%0.463CS..Hα-helixtrans-72.3-38.3176.6-68.4-173.2-160.100111.5H12 P13 E165 V170 G171 V172H12-E168 IonicContact CG-OE1 2.75Å; H12-E168 IonicContact CG-OE2 3.79Å; H12-E168 IonicContact ND1-OE1 2.7Å; H12-E168 PolarHBondContact ND1-OE1 3.17Å; H12-E168 IonicContact ND1-OE2 3.03Å; P13-E168 WeakPolarHBondContact CD-OE2 3.46Å; E165-E168 HydrophobicContact CB-CG 4.49Å; E165-E168 CarbonylContact O-C 3.58Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.34Å; E165-E168 PolarHBondContact O-N 3.15Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-V170 PolarHBondContact O-N 3.1Å; E168-G171 WeakPolarHBondContact O-CA 3.27Å; E168-G171 PolarHBondContact O-N 2.83Å; E168-G171 VanDerWaalsContact O-N 3.08Å; E168-V172 WeakPolarHBondContact O-CG2 2.98Å; E168-V172 PolarHBondContact O-N 3.41Å
169E85.2Confident85.8Confident120 Ų12092.6 Ų92.656%0.56149%0.492SS*.Hα-helixtrans-57.8-47.1179.9-174.8172.1-169.500111A164 E165 E166 G171 V172 E173A164-E169 HydrophobicContact CB-CB 4.42Å; E165-E169 PolarHBondContact O-N 2.96Å; E166-E169 PolarHBondContact O-N 3.48Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 3.33Å; E169-V172 PolarHBondContact O-N 3.45Å; E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.36Å
170V88.4Confident84.5Confident92 Ų9294.8 Ų94.856%0.55850%0.495SS*.Hα-helixtrans-61.8-39.9176177.60000111.4E166 E168 H174E166-V170 WeakPolarHBondContact O-CG2 3.27Å; E166-V170 PolarHBondContact O-N 3.31Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-V170 PolarHBondContact O-N 3.1Å; V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 2.99Å
171G87.4Confident83Confident34 Ų3499.9 Ų99.935%0.35152%0.521SS..Hα-helixtrans-65.5-46.8177.800000112.7A167 E168 E169 H174 L175A167-G171 PolarHBondContact O-N 2.91Å; E168-G171 WeakPolarHBondContact O-CA 3.27Å; E168-G171 PolarHBondContact O-N 2.83Å; E168-G171 VanDerWaalsContact O-N 3.08Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 3.33Å; G171-H174 PolarHBondContact O-N 2.93Å; G171-L175 WeakPolarHBondContact O-CG 3.5Å; G171-L175 PolarHBondContact O-N 3.48Å; G171-L175 VanDerWaalsContact O-N 3.08Å
172V87.1Confident81.5Confident50 Ų50101.2 Ų101.230%0.30354%0.536SS..Hα-helixtrans-66.8-41.5178.4172.90000110.9P13 E168 E169 H174 L175 L176P13-V172 HydrophobicContact CB-CG2 4.03Å; P13-V172 HydrophobicContact CG-CG2 4.37Å; E168-V172 WeakPolarHBondContact O-CG2 2.98Å; E168-V172 PolarHBondContact O-N 3.41Å; E169-V172 PolarHBondContact O-N 3.45Å; V172-H174 VanDerWaalsContact C-N 3.3Å; V172-H174 PolarHBondContact O-N 3.26Å; V172-L175 PolarHBondContact O-N 2.94Å; V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.87Å
173E84.6Confident80Confident117 Ų117103.7 Ų103.755%0.54756%0.555SS.*Hα-helixtrans-59.4-43.7175.4-173.4-178.4-169.500111.1E169 L175 L176 R177E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.36Å; E173-L175 PolarHBondContact O-N 3.19Å; E173-L176 PolarHBondContact O-N 3.3Å; E173-R177 PolarHBondContact O-N 3.25Å
174H86.3Confident78.7Confident139 Ų139106 Ų10664%0.64456%0.564SS**Hα-helixtrans-61.8-44.3177.3-169.573.6000112.3V170 G171 V172 L176 R177V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 2.99Å; G171-H174 PolarHBondContact O-N 2.93Å; V172-H174 VanDerWaalsContact C-N 3.3Å; V172-H174 PolarHBondContact O-N 3.26Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.31Å; H174-R177 WeakPolarHBondContact O-CB 3.42Å; H174-R177 PolarHBondContact O-N 3.09Å
175L85.4Confident78.1Confident126 Ų126105.5 Ų105.566%0.6657%0.565SS**Hα-helixtrans-66.4-29.8178.2-68.9172.1000112.9G171 V172 E173G171-L175 WeakPolarHBondContact O-CG 3.5Å; G171-L175 PolarHBondContact O-N 3.48Å; G171-L175 VanDerWaalsContact O-N 3.08Å; V172-L175 PolarHBondContact O-N 2.94Å; E173-L175 PolarHBondContact O-N 3.19Å
176L83.8Confident77.9Confident53 Ų53105 Ų10528%0.27757%0.57SS.*THydrogen-bonded Turntrans-92.63.7-178.1-67.8178.4000113.8V172 E173 H174 D178 I179 K180V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.87Å; E173-L176 PolarHBondContact O-N 3.3Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.31Å; L176-D178 PolarHBondContact O-N 3.4Å; L176-D178 VanDerWaalsContact O-N 3.15Å; L176-I179 HydrophobicContact CD2-CD1 4.24Å; L176-I179 PolarHBondContact O-N 3.33Å; L176-K180 HydrophobicContact CB-CD 4.24Å; L176-K180 HydrophobicContact CB-CG 4.26Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 WeakPolarHBondContact O-CB 3.5Å; L176-K180 PolarHBondContact O-N 3.04Å
177R80.3Confident77.6Confident190 Ų190102.9 Ų102.972%0.71756%0.563SS**THydrogen-bonded Turntrans-58.4-29.6-178.6-168.6176.1-178.3-171.80.7113.3E173 H174E173-R177 PolarHBondContact O-N 3.25Å; H174-R177 WeakPolarHBondContact O-CB 3.42Å; H174-R177 PolarHBondContact O-N 3.09Å
178D73.5Confident77.3Confident161 Ų161102 Ų10286%0.86155%0.552SS**THydrogen-bonded Turntrans-84.5-14.5179.9-64.8-19.4000113.4L176L176-D178 PolarHBondContact O-N 3.4Å; L176-D178 VanDerWaalsContact O-N 3.15Å
179I71.6Confident77.1Confident132 Ų132105.7 Ų105.768%0.67757%0.57SS**THydrogen-bonded Turntrans-112.8-36.2-173.5-63167.9000111.7L176 D181L176-I179 HydrophobicContact CD2-CD1 4.24Å; L176-I179 PolarHBondContact O-N 3.33Å; I179-D181 PolarHBondContact O-N 2.92Å
180K61.9Low77.2Confident126 Ų126108.6 Ų108.655%0.54858%0.575SS.*  trans-80.3107.5178.5-87.3-176174.6178.50109.8L176 T182L176-K180 HydrophobicContact CB-CD 4.24Å; L176-K180 HydrophobicContact CB-CG 4.26Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 WeakPolarHBondContact O-CB 3.5Å; L176-K180 PolarHBondContact O-N 3.04Å; K180-T182 PolarHBondContact O-N 2.82Å; K180-T182 PolarHBondContact O-OG1 2.95Å
181D57.4Low77.2Confident124 Ų124108.3 Ų108.366%0.66357%0.57SS**  trans-62.587158.6-80.5-38.1000109.2I179 T183 V184I179-D181 PolarHBondContact O-N 2.92Å; D181-T183 PolarHBondContact O-N 3.28Å; D181-V184 HydrophobicContact CB-CG2 3.81Å; D181-V184 WeakPolarHBondContact O-CG2 3.27Å; D181-V184 PolarHBondContact O-N 3.36Å
182T60.1Low77.2Confident125 Ų125109.8 Ų109.877%0.76757%0.572SS**THydrogen-bonded Turntrans-64.4-4.8174.8-0.60000112.2K180K180-T182 PolarHBondContact O-N 2.82Å; K180-T182 PolarHBondContact O-OG1 2.95Å
183T59Low77.2Confident120 Ų120112.1 Ų112.174%0.73658%0.583SS**THydrogen-bonded Turntrans-88.8-4.2179.8580000113.5D181 G185D181-T183 PolarHBondContact O-N 3.28Å; T183-G185 PolarHBondContact O-N 3.42Å
184V61.4Low77.4Confident68 Ų68113.1 Ų113.141%0.41259%0.588SS.*  trans-70.1106.4178.1-177.30000109.1D181 S188 Q189D181-V184 HydrophobicContact CB-CG2 3.81Å; D181-V184 WeakPolarHBondContact O-CG2 3.27Å; D181-V184 PolarHBondContact O-N 3.36Å; V184-S188 VanDerWaalsContact CG1-CB 3.42Å; V184-Q189 HydrophobicContact CG1-CB 4.42Å
185G75.8Confident77.6Confident43 Ų43109.7 Ų109.744%0.44358%0.576SS.*  trans-56.8154.9176.500000112.6T183 L187 S188 Q189T183-G185 PolarHBondContact O-N 3.42Å; G185-L187 PolarHBondContact O-N 3.06Å; G185-S188 PolarHBondContact O-N 2.94Å; G185-Q189 PolarHBondContact O-N 2.91Å; G185-Q189 VanDerWaalsContact O-N 3.13Å
186T82.1Confident77.6Confident110 Ų110107.8 Ų107.868%0.67556%0.563SS**Hα-helixtrans-53.7-30.5-176.655.50000114R190T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.43Å
187L82.1Confident77.9Confident117 Ų117107.5 Ų107.561%0.61357%0.573SS**Hα-helixtrans-68.1-49.3175.3178.661.2000112G185 Q189 R190 I191G185-L187 PolarHBondContact O-N 3.06Å; L187-Q189 VanDerWaalsContact C-N 3.29Å; L187-Q189 PolarHBondContact O-N 3.24Å; L187-R190 PolarHBondContact O-N 3.16Å; L187-R190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CD1-CD1 4.1Å; L187-I191 HydrophobicContact CD1-CG1 4.37Å; L187-I191 HydrophobicContact CG-CD1 4Å; L187-I191 WeakPolarHBondContact O-CG1 3.49Å; L187-I191 PolarHBondContact O-N 3.47Å
188S82.5Confident78.4Confident61 Ų61104.2 Ų104.243%0.42757%0.57SS.*Hα-helixtrans-61.2-40.9179.7-61.20000110.7V184 G185 R190 I191 T192V184-S188 VanDerWaalsContact CG1-CB 3.42Å; G185-S188 PolarHBondContact O-N 2.94Å; S188-R190 PolarHBondContact O-N 3.05Å; S188-I191 PolarHBondContact O-N 3.26Å; S188-T192 WeakPolarHBondContact O-CB 3.39Å; S188-T192 PolarHBondContact O-N 2.99Å; S188-T192 PolarHBondContact O-OG1 3.28Å
189Q83.9Confident79.1Confident112 Ų112102.2 Ų102.252%0.52355%0.553SS.*Hα-helixtrans-61.8-42.7174.9-167.1-178.710.800112.4V184 G185 L187 T192 N193V184-Q189 HydrophobicContact CG1-CB 4.42Å; G185-Q189 PolarHBondContact O-N 2.91Å; G185-Q189 VanDerWaalsContact O-N 3.13Å; L187-Q189 VanDerWaalsContact C-N 3.29Å; L187-Q189 PolarHBondContact O-N 3.24Å; Q189-T192 WeakPolarHBondContact O-CB 3.43Å; Q189-T192 PolarHBondContact O-N 3.05Å; Q189-N193 PolarHBondContact O-N 3.39Å; Q189-N193 PolarHBondContact O-OD1 3Å
190R85.9Confident79.9Confident181 Ų18197 Ų9768%0.68353%0.532SS*.Hα-helixtrans-63.6-42.3176.3-75.6177.8-178.3-133.10.6112.5T186 L187 S188 T192 N193 Q194T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.43Å; L187-R190 PolarHBondContact O-N 3.16Å; L187-R190 VanDerWaalsContact O-N 3.17Å; S188-R190 PolarHBondContact O-N 3.05Å; R190-T192 VanDerWaalsContact C-N 3.35Å; R190-N193 PolarHBondContact O-N 3.13Å; R190-Q194 WeakPolarHBondContact O-CG 3.29Å; R190-Q194 PolarHBondContact O-N 3.49Å
191I89.2Confident81.2Confident86 Ų8695.6 Ų95.644%0.44153%0.53SS..Hα-helixtrans-63.1-46.1176.5-67.5169.6000109.6L187 S188 N193 Q194 V195L187-I191 HydrophobicContact CD1-CD1 4.1Å; L187-I191 HydrophobicContact CD1-CG1 4.37Å; L187-I191 HydrophobicContact CG-CD1 4Å; L187-I191 WeakPolarHBondContact O-CG1 3.49Å; L187-I191 PolarHBondContact O-N 3.47Å; S188-I191 PolarHBondContact O-N 3.26Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.97Å; I191-Q194 PolarHBondContact O-N 3.42Å; I191-Q194 VanDerWaalsContact O-N 3.14Å; I191-V195 HydrophobicContact CG2-CG2 4.43Å; I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.48Å
192T86.8Confident82.8Confident64 Ų6495.1 Ų95.139%0.39353%0.527SS..Hα-helixtrans-56.1-45.3175-61.50000110.9S188 Q189 R190 Q194 V195 H196S188-T192 WeakPolarHBondContact O-CB 3.39Å; S188-T192 PolarHBondContact O-N 2.99Å; S188-T192 PolarHBondContact O-OG1 3.28Å; Q189-T192 WeakPolarHBondContact O-CB 3.43Å; Q189-T192 PolarHBondContact O-N 3.05Å; R190-T192 VanDerWaalsContact C-N 3.35Å; T192-Q194 PolarHBondContact O-N 2.92Å; T192-V195 PolarHBondContact O-N 2.91Å; T192-H196 WeakPolarHBondContact CG2-CE1 3.47Å; T192-H196 VanDerWaalsContact CG2-ND1 3.3Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.36Å; T192-H196 WeakPolarHBondContact O-CB 3.25Å; T192-H196 PolarHBondContact O-N 3.32Å; T192-H196 PolarHBondContact O-ND1 2.87Å
193N87Confident84.2Confident99 Ų9992 Ų9253%0.52951%0.511SS..Hα-helixtrans-62.1-40177-67.9-6.7000112.6Q189 R190 I191 G197Q189-N193 PolarHBondContact O-N 3.39Å; Q189-N193 PolarHBondContact O-OD1 3Å; R190-N193 PolarHBondContact O-N 3.13Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.97Å; N193-G197 PolarHBondContact O-N 3.38Å
194Q88.8Confident85.6Confident139 Ų13993.4 Ų93.465%0.6551%0.506SS*.Hα-helixtrans-64.8-43.9175.4-73.1-178.6-19.400112R190 I191 T192 G197 L198R190-Q194 WeakPolarHBondContact O-CG 3.29Å; R190-Q194 PolarHBondContact O-N 3.49Å; I191-Q194 PolarHBondContact O-N 3.42Å; I191-Q194 VanDerWaalsContact O-N 3.14Å; T192-Q194 PolarHBondContact O-N 2.92Å; Q194-G197 PolarHBondContact O-N 3.06Å; Q194-L198 PolarHBondContact O-N 3.34Å
195V90.1Very high87Confident66 Ų6694.8 Ų94.840%0.451%0.511SS..Hα-helixtrans-64.3-44.1177.3173.20000110.9I191 T192 G197 L198 K199I191-V195 HydrophobicContact CG2-CG2 4.43Å; I191-V195 WeakPolarHBondContact O-CG2 3.47Å; I191-V195 PolarHBondContact O-N 3.48Å; T192-V195 PolarHBondContact O-N 2.91Å; V195-G197 VanDerWaalsContact C-N 3.33Å; V195-L198 PolarHBondContact O-N 3.5Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.37Å
196H86.1Confident87.8Confident86 Ų8697.5 Ų97.540%0.39852%0.515SS..Hα-helixtrans-64.8-38.6176.3-76.377.8000111.6T192 L198 K199 G200T192-H196 WeakPolarHBondContact CG2-CE1 3.47Å; T192-H196 VanDerWaalsContact CG2-ND1 3.3Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.36Å; T192-H196 WeakPolarHBondContact O-CB 3.25Å; T192-H196 PolarHBondContact O-N 3.32Å; T192-H196 PolarHBondContact O-ND1 2.87Å; H196-L198 PolarHBondContact O-N 3.34Å; H196-K199 PolarHBondContact O-N 3.47Å; H196-G200 PolarHBondContact O-N 3.33Å
197G89.7Confident88.1Confident47 Ų4796.9 Ų96.949%0.48551%0.508SS..Hα-helixtrans-59.4-45.1173.700000112.7N193 Q194 V195 G200 L201N193-G197 PolarHBondContact O-N 3.38Å; Q194-G197 PolarHBondContact O-N 3.06Å; V195-G197 VanDerWaalsContact C-N 3.33Å; G197-G200 PolarHBondContact O-N 2.85Å; G197-L201 PolarHBondContact O-N 3.42Å
198L90.4Very high88.6Confident122 Ų12294.4 Ų94.464%0.63949%0.494SS*.Hα-helixtrans-65.1-42.3175.8-75.2171.9000112.6Q194 V195 H196 G200 L201 N202Q194-L198 PolarHBondContact O-N 3.34Å; V195-L198 PolarHBondContact O-N 3.5Å; H196-L198 PolarHBondContact O-N 3.34Å; L198-G200 VanDerWaalsContact C-N 3.31Å; L198-G200 PolarHBondContact O-N 2.99Å; L198-L201 PolarHBondContact O-N 3.46Å; L198-N202 WeakPolarHBondContact O-CB 3.42Å; L198-N202 PolarHBondContact O-N 3.34Å
199K88.9Confident89Confident119 Ų11999.4 Ų99.452%0.51750%0.504SS..Hα-helixtrans-61-41.7174.4-74.3-177.8176.6-176.90111.4L131 V195 H196 N202 S203L131-K199 HydrophobicContact CD1-CB 4.28Å; L131-K199 HydrophobicContact CD1-CD 4.16Å; L131-K199 HydrophobicContact CD2-CB 3.47Å; L131-K199 VanDerWaalsContact CD2-CB 3.47Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.37Å; H196-K199 PolarHBondContact O-N 3.47Å; K199-N202 PolarHBondContact O-N 3.35Å; K199-S203 PolarHBondContact O-N 3.09Å
200G87.9Confident89.5Confident22 Ų2295.9 Ų95.923%0.22749%0.492CS..Hα-helixtrans-64.6-43.2177.300000112.3L131 H196 G197 L198 N202 S203 K204L131-G200 VanDerWaalsContact CD2-N 3.28Å; H196-G200 PolarHBondContact O-N 3.33Å; G197-G200 PolarHBondContact O-N 2.85Å; L198-G200 VanDerWaalsContact C-N 3.31Å; L198-G200 PolarHBondContact O-N 2.99Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 2.76Å; G200-S203 PolarHBondContact O-N 2.92Å; G200-K204 WeakPolarHBondContact O-CG 3.35Å; G200-K204 PolarHBondContact O-N 3.39Å
201L89.8Confident89.6Confident97 Ų9789.5 Ų89.551%0.50847%0.468SS..Hα-helixtrans-60.4-43.9174.3-178.562.6000111.6G197 L198 S203 K204 L205G197-L201 PolarHBondContact O-N 3.42Å; L198-L201 PolarHBondContact O-N 3.46Å; L201-S203 PolarHBondContact O-N 2.97Å; L201-K204 PolarHBondContact O-N 2.81Å; L201-L205 HydrophobicContact CD1-CD1 4.38Å; L201-L205 HydrophobicContact CD1-CG 4.29Å; L201-L205 HydrophobicContact CG-CD1 4.1Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.98Å
202N91.5Very high89.7Confident114 Ų11488.8 Ų88.861%0.6146%0.464SS*.Hα-helixtrans-61.1-43.4178.1-173.936.9000112.1L198 K199 G200 L205 L206L198-N202 WeakPolarHBondContact O-CB 3.42Å; L198-N202 PolarHBondContact O-N 3.34Å; K199-N202 PolarHBondContact O-N 3.35Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 2.76Å; N202-L205 PolarHBondContact O-N 2.94Å; N202-L206 WeakPolarHBondContact O-CB 3.46Å; N202-L206 PolarHBondContact O-N 2.92Å
203S88.9Confident90Very high60 Ų6091.5 Ų91.542%0.4247%0.473SS..Hα-helixtrans-59.3-49.6175.2-167.50000111.4K199 G200 L201 L205 L206 D207K199-S203 PolarHBondContact O-N 3.09Å; G200-S203 PolarHBondContact O-N 2.92Å; L201-S203 PolarHBondContact O-N 2.97Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.97Å; S203-L206 WeakPolarHBondContact O-CB 3.34Å; S203-L206 PolarHBondContact O-N 3.42Å; S203-L206 VanDerWaalsContact O-N 3.09Å; S203-D207 PolarHBondContact O-N 3.34Å
204K87.8Confident90.1Very high148 Ų14892.6 Ų92.664%0.64347%0.469SS*.Hα-helixtrans-61.8-40179.9-71-174.3176.5-169.90112.7G200 L201 L206 D207 I208G200-K204 WeakPolarHBondContact O-CG 3.35Å; G200-K204 PolarHBondContact O-N 3.39Å; L201-K204 PolarHBondContact O-N 2.81Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.38Å; K204-D207 PolarHBondContact O-N 3.13Å; K204-I208 WeakPolarHBondContact O-CG1 3.38Å; K204-I208 PolarHBondContact O-N 3.29Å
205L91.4Very high90.2Very high97 Ų9787 Ų8751%0.50845%0.445SS..Hα-helixtrans-65-35.9175.2-71.9175.7000112.1L201 N202 S203 R209L201-L205 HydrophobicContact CD1-CD1 4.38Å; L201-L205 HydrophobicContact CD1-CG 4.29Å; L201-L205 HydrophobicContact CG-CD1 4.1Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.98Å; N202-L205 PolarHBondContact O-N 2.94Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.97Å; L205-R209 WeakPolarHBondContact O-CB 3.34Å; L205-R209 PolarHBondContact O-N 3.17Å
206L93.4Very high90.2Very high101 Ų10188.2 Ų88.253%0.52946%0.462SS..Hα-helixtrans-66.8-38.8175.3-167.768.4000111.6N202 S203 K204 R209 S210N202-L206 WeakPolarHBondContact O-CB 3.46Å; N202-L206 PolarHBondContact O-N 2.92Å; S203-L206 WeakPolarHBondContact O-CB 3.34Å; S203-L206 PolarHBondContact O-N 3.42Å; S203-L206 VanDerWaalsContact O-N 3.09Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.38Å; L206-R209 WeakPolarHBondContact O-CB 3.22Å; L206-R209 PolarHBondContact O-N 3.09Å; L206-S210 PolarHBondContact O-N 2.84Å
207D88.8Confident90.5Very high97 Ų9787.2 Ų87.252%0.51947%0.468SS..Hα-helixtrans-65.2-44.5176-65.1-35.8000111.6S203 K204 R209 S210 Y211S203-D207 PolarHBondContact O-N 3.34Å; K204-D207 PolarHBondContact O-N 3.13Å; D207-R209 VanDerWaalsContact C-N 3.32Å; D207-R209 PolarHBondContact O-N 3.41Å; D207-S210 PolarHBondContact O-N 3.03Å; D207-Y211 PolarHBondContact O-N 3.39Å
208I91.2Very high90.3Very high64 Ų6488 Ų8833%0.32848%0.476SS..Hα-helixtrans-58.1-45.9173.7-68.8165.9000110.4K204 S210 Y211 L212 L230K204-I208 WeakPolarHBondContact O-CG1 3.38Å; K204-I208 PolarHBondContact O-N 3.29Å; I208-S210 PolarHBondContact O-N 3.32Å; I208-Y211 PolarHBondContact O-N 3.31Å; I208-L212 HydrophobicContact CG2-CD1 4.14Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.04Å; I208-L230 HydrophobicContact CD1-CD2 3.99Å; I208-L230 HydrophobicContact CG1-CD2 4.28Å; I208-L230 HydrophobicContact CG2-CD1 4.07Å; I208-L230 HydrophobicContact CG2-CD2 3.62Å
209R92.3Very high90Very high166 Ų16690.3 Ų90.363%0.62648%0.481SS*.Hα-helixtrans-59.4-46.4176.3179.1-175.4171.4-179.5-0.5111.3L205 L206 D207 Y211 L212 E213L205-R209 WeakPolarHBondContact O-CB 3.34Å; L205-R209 PolarHBondContact O-N 3.17Å; L206-R209 WeakPolarHBondContact O-CB 3.22Å; L206-R209 PolarHBondContact O-N 3.09Å; D207-R209 VanDerWaalsContact C-N 3.32Å; D207-R209 PolarHBondContact O-N 3.41Å; R209-Y211 VanDerWaalsContact C-N 3.31Å; R209-Y211 PolarHBondContact O-N 3.43Å; R209-L212 PolarHBondContact O-N 3.06Å; R209-E213 WeakPolarHBondContact O-CB 3.1Å; R209-E213 PolarHBondContact O-N 3.27Å
210S92.4Very high89.5Confident39 Ų3988.2 Ų88.227%0.27348%0.475SS..Hα-helixtrans-63.1-38.2179.9-167.20000112L206 D207 I208 R214L206-S210 PolarHBondContact O-N 2.84Å; D207-S210 PolarHBondContact O-N 3.03Å; I208-S210 PolarHBondContact O-N 3.32Å; S210-R214 VanDerWaalsContact O-CG 3.26Å; S210-R214 WeakPolarHBondContact O-CG 3.29Å; S210-R214 PolarHBondContact O-N 3.08Å; S210-R214 VanDerWaalsContact O-N 3.1Å
211Y89.9Confident89.1Confident47 Ų4792.8 Ų92.818%0.18450%0.501CS..Hα-helixtrans-62.1-51.9173.8172.9-104.8000111.4D207 I208 R209 E213 R214 V215 N223 I226D207-Y211 PolarHBondContact O-N 3.39Å; I208-Y211 PolarHBondContact O-N 3.31Å; R209-Y211 VanDerWaalsContact C-N 3.31Å; R209-Y211 PolarHBondContact O-N 3.43Å; Y211-E213 VanDerWaalsContact C-N 3.3Å; Y211-E213 PolarHBondContact O-N 3.41Å; Y211-R214 PolarHBondContact O-N 3.42Å; Y211-R214 VanDerWaalsContact O-N 3.13Å; Y211-V215 HydrophobicContact CD1-CG2 4.43Å; Y211-V215 HydrophobicContact CD2-CG2 4.24Å; Y211-V215 HydrophobicContact CE1-CG2 4.03Å; Y211-V215 HydrophobicContact CE2-CG2 3.8Å; Y211-V215 WeakPolarHBondContact O-CG2 3.38Å; Y211-V215 PolarHBondContact O-N 2.81Å; Y211-N223 WeakPolarHBondContact OH-CB 3.34Å; Y211-N223 PolarHBondContact OH-N 3.49Å; Y211-I226 HydrophobicContact CD1-CG2 4.32Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.81Å
212L89.8Confident88.7Confident70 Ų7092.7 Ų92.737%0.36650%0.5SS..Hα-helixtrans-61.3-37.7179.7-69.5177000112.5I208 R209 V215 A216 L230I208-L212 HydrophobicContact CG2-CD1 4.14Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.04Å; R209-L212 PolarHBondContact O-N 3.06Å; L212-V215 PolarHBondContact O-N 3.11Å; L212-A216 VanDerWaalsContact O-CB 3.29Å; L212-A216 WeakPolarHBondContact O-CB 3.14Å; L212-A216 PolarHBondContact O-N 3.45Å; L212-L230 HydrophobicContact CD1-CD1 4.45Å; L212-L230 HydrophobicContact CD2-CD1 4.14Å; L212-L230 HydrophobicContact CG-CD1 4.47Å
213E93.6Very high88.3Confident122 Ų12290.3 Ų90.357%0.5749%0.487SS*.Hα-helixtrans-64.6-39.7175.9-173.1171.8-161.300112R209 Y211 A217R209-E213 WeakPolarHBondContact O-CB 3.1Å; R209-E213 PolarHBondContact O-N 3.27Å; Y211-E213 VanDerWaalsContact C-N 3.3Å; Y211-E213 PolarHBondContact O-N 3.41Å; E213-A217 VanDerWaalsContact O-CB 3.31Å; E213-A217 WeakPolarHBondContact O-CB 3.44Å; E213-A217 PolarHBondContact O-N 2.83Å
214R90.1Very high88Confident121 Ų12191.6 Ų91.646%0.45749%0.487SS..Hα-helixtrans-69.5-36.4176.3-71.1173.9-169.6-177.88.9112.9S210 Y211 G218 K219 L220S210-R214 VanDerWaalsContact O-CG 3.26Å; S210-R214 WeakPolarHBondContact O-CG 3.29Å; S210-R214 PolarHBondContact O-N 3.08Å; S210-R214 VanDerWaalsContact O-N 3.1Å; Y211-R214 PolarHBondContact O-N 3.42Å; Y211-R214 VanDerWaalsContact O-N 3.13Å; R214-G218 PolarHBondContact O-N 3.37Å; R214-K219 PolarHBondContact O-N 3.13Å; R214-K219 VanDerWaalsContact O-N 3.09Å; R214-L220 HydrophobicContact CB-CD1 4.08Å
215V89.8Confident87.8Confident23 Ų2389.9 Ų89.914%0.13948%0.481CS..Hα-helixtrans-68.5-45175.3172.90000110.4Y211 L212 A217 G218 I222Y211-V215 HydrophobicContact CD1-CG2 4.43Å; Y211-V215 HydrophobicContact CD2-CG2 4.24Å; Y211-V215 HydrophobicContact CE1-CG2 4.03Å; Y211-V215 HydrophobicContact CE2-CG2 3.8Å; Y211-V215 WeakPolarHBondContact O-CG2 3.38Å; Y211-V215 PolarHBondContact O-N 2.81Å; L212-V215 PolarHBondContact O-N 3.11Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 2.89Å; V215-G218 PolarHBondContact O-N 3.43Å; V215-I222 HydrophobicContact CG1-CD1 4.36Å; V215-I222 HydrophobicContact CG1-CG1 3.84Å; V215-I222 HydrophobicContact CG1-CG2 4.4Å
216A90.3Very high87.5Confident91 Ų9188.1 Ų88.175%0.75247%0.471SS*.Hα-helixtrans-62.3-34.9176.100000112.6L212 G218L212-A216 VanDerWaalsContact O-CB 3.29Å; L212-A216 WeakPolarHBondContact O-CB 3.14Å; L212-A216 PolarHBondContact O-N 3.45Å; A216-G218 PolarHBondContact O-N 3.35Å
217A92.7Very high87.2Confident64 Ų6486 Ų8653%0.52946%0.46SS..THydrogen-bonded Turntrans-75.1-3.1173.500000114.1E213 V215 K219E213-A217 VanDerWaalsContact O-CB 3.31Å; E213-A217 WeakPolarHBondContact O-CB 3.44Å; E213-A217 PolarHBondContact O-N 2.83Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 2.89Å; A217-K219 VanDerWaalsContact C-N 3.28Å; A217-K219 HydrophobicContact CB-CG 4.4Å; A217-K219 PolarHBondContact O-N 3.26Å
218G85.6Confident87.3Confident64 Ų6487.7 Ų87.766%0.6646%0.46SS*.THydrogen-bonded Turntrans70.516.3178.600000115.1R214 V215 A216R214-G218 PolarHBondContact O-N 3.37Å; V215-G218 PolarHBondContact O-N 3.43Å; A216-G218 PolarHBondContact O-N 3.35Å
219K84.6Confident87.2Confident170 Ų17089.7 Ų89.774%0.73947%0.468SS*.SBendtrans-82.4-24.2-178.3-68.2-176.5-179.4177.50113.5R214 A217R214-K219 PolarHBondContact O-N 3.13Å; R214-K219 VanDerWaalsContact O-N 3.09Å; A217-K219 VanDerWaalsContact C-N 3.28Å; A217-K219 HydrophobicContact CB-CG 4.4Å; A217-K219 PolarHBondContact O-N 3.26Å
220L78.3Confident87Confident76 Ų7683 Ų8340%0.39844%0.444SS..SBendtrans-123.9145.2177.7-9088.3000110.4R214R214-L220 HydrophobicContact CB-CD1 4.08Å
221P79.4Confident86.9Confident117 Ų11786.2 Ų86.276%0.7646%0.455SS*.  trans-63.5147.6170.127.9-33000110.6N223P221-N223 PolarHBondContact O-N 3.18Å
222I80.6Confident87.1Confident96 Ų9688.4 Ų88.449%0.49247%0.47SS..  trans-76.8117.8-176.6-49.7-173.4000109V215 H224 I227V215-I222 HydrophobicContact CG1-CD1 4.36Å; V215-I222 HydrophobicContact CG1-CG1 3.84Å; V215-I222 HydrophobicContact CG1-CG2 4.4Å; I222-H224 PolarHBondContact O-N 3.49Å; I222-I227 HydrophobicContact CG2-CD1 3.21Å; I222-I227 HydrophobicContact CG2-CG1 4.49Å
223N82.4Confident87.1Confident64 Ų6489.2 Ų89.234%0.34248%0.478SS..  trans-86.5107165-171.8-22.5000109.5Y211 P221 Q225 I226Y211-N223 WeakPolarHBondContact OH-CB 3.34Å; Y211-N223 PolarHBondContact OH-N 3.49Å; P221-N223 PolarHBondContact O-N 3.18Å; N223-Q225 VanDerWaalsContact C-N 3.29Å; N223-Q225 PolarHBondContact O-N 2.88Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.3Å; N223-Q225 PolarHBondContact OD1-N 2.76Å; N223-I226 HydrophobicContact CB-CD1 4.03Å; N223-I226 HydrophobicContact CB-CG1 4.23Å; N223-I226 PolarHBondContact O-N 2.92Å
224H82.9Confident86.9Confident87 Ų8790 Ų9040%0.40348%0.479SS..Hα-helixtrans-62.1-34.3-178.7-63.4162.2000112.9I222 I226 I227 Y228I222-H224 PolarHBondContact O-N 3.49Å; H224-I226 VanDerWaalsContact C-N 3.34Å; H224-I226 PolarHBondContact O-N 2.95Å; H224-I227 PolarHBondContact O-N 3.46Å; H224-I227 VanDerWaalsContact O-N 3.13Å; H224-Y228 HydrophobicContact CB-CE2 4Å; H224-Y228 VanDerWaalsContact O-CD2 3.31Å; H224-Y228 WeakPolarHBondContact O-CD2 3.28Å; H224-Y228 PolarHBondContact O-N 2.88Å
225Q83.4Confident86.8Confident111 Ų11189.7 Ų89.752%0.51949%0.487SS..Hα-helixtrans-60.7-43.5-179.1-174.862.214.700111.9N223 I227 Y228 Q229N223-Q225 VanDerWaalsContact C-N 3.29Å; N223-Q225 PolarHBondContact O-N 2.88Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.3Å; N223-Q225 PolarHBondContact OD1-N 2.76Å; Q225-I227 VanDerWaalsContact C-N 3.3Å; Q225-I227 PolarHBondContact O-N 2.84Å; Q225-Y228 PolarHBondContact O-N 2.99Å; Q225-Q229 WeakPolarHBondContact O-CG 3.44Å; Q225-Q229 PolarHBondContact O-N 3.08Å
226I85.7Confident86.9Confident60 Ų6095.3 Ų95.331%0.30852%0.515SS..Hα-helixtrans-64.5-38.8178.4-62.1177.7000110.4Y211 N223 H224 Q229 L230Y211-I226 HydrophobicContact CD1-CG2 4.32Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.81Å; N223-I226 HydrophobicContact CB-CD1 4.03Å; N223-I226 HydrophobicContact CB-CG1 4.23Å; N223-I226 PolarHBondContact O-N 2.92Å; H224-I226 VanDerWaalsContact C-N 3.34Å; H224-I226 PolarHBondContact O-N 2.95Å; I226-Q229 PolarHBondContact O-N 3.11Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CB 3.37Å; I226-L230 VanDerWaalsContact O-CG 3.26Å; I226-L230 WeakPolarHBondContact O-CG 3.45Å; I226-L230 PolarHBondContact O-N 3.12Å
227I87.9Confident86.7Confident58 Ų5896.1 Ų96.130%0.29751%0.506SS..Hα-helixtrans-68.8-41.8-179.9-63.8171.2000111I222 H224 Q225 Q229 L230 Q231I222-I227 HydrophobicContact CG2-CD1 3.21Å; I222-I227 HydrophobicContact CG2-CG1 4.49Å; H224-I227 PolarHBondContact O-N 3.46Å; H224-I227 VanDerWaalsContact O-N 3.13Å; Q225-I227 VanDerWaalsContact C-N 3.3Å; Q225-I227 PolarHBondContact O-N 2.84Å; I227-Q229 PolarHBondContact O-N 3.34Å; I227-L230 PolarHBondContact O-N 3.33Å; I227-Q231 WeakPolarHBondContact O-CB 3.26Å; I227-Q231 PolarHBondContact O-N 3.29Å
228Y89.7Confident86.2Confident132 Ų13298 Ų9852%0.51851%0.513SS..Hα-helixtrans-60.7-45.3175.1-62.6-35.5000111.7H224 Q225 L230 Q231 D232H224-Y228 HydrophobicContact CB-CE2 4Å; H224-Y228 VanDerWaalsContact O-CD2 3.31Å; H224-Y228 WeakPolarHBondContact O-CD2 3.28Å; H224-Y228 PolarHBondContact O-N 2.88Å; Q225-Y228 PolarHBondContact O-N 2.99Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.8Å; Y228-Q231 WeakPolarHBondContact O-CB 3.31Å; Y228-Q231 PolarHBondContact O-N 3.4Å; Y228-D232 PolarHBondContact O-N 3.21Å
229Q89Confident85.8Confident106 Ų106101 Ų10150%0.49552%0.515SS..Hα-helixtrans-60.7-41.9174.7-71.8177-12.300112.4Q225 I226 I227 Q231 D232 V233Q225-Q229 WeakPolarHBondContact O-CG 3.44Å; Q225-Q229 PolarHBondContact O-N 3.08Å; I226-Q229 PolarHBondContact O-N 3.11Å; I227-Q229 PolarHBondContact O-N 3.34Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q229-Q231 PolarHBondContact O-N 3.36Å; Q229-D232 PolarHBondContact O-N 2.82Å; Q229-V233 WeakPolarHBondContact O-CG2 3.4Å; Q229-V233 PolarHBondContact O-N 3.2Å
230L89.8Confident85.3Confident24 Ų2497 Ų9713%0.12650%0.504CS..Hα-helixtrans-63.4-39.8175.9-75.2171.5000112I208 L212 I226 I227 Y228 V233 F234I208-L230 HydrophobicContact CD1-CD2 3.99Å; I208-L230 HydrophobicContact CG1-CD2 4.28Å; I208-L230 HydrophobicContact CG2-CD1 4.07Å; I208-L230 HydrophobicContact CG2-CD2 3.62Å; L212-L230 HydrophobicContact CD1-CD1 4.45Å; L212-L230 HydrophobicContact CD2-CD1 4.14Å; L212-L230 HydrophobicContact CG-CD1 4.47Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.4Å; I226-L230 WeakPolarHBondContact O-CB 3.37Å; I226-L230 VanDerWaalsContact O-CG 3.26Å; I226-L230 WeakPolarHBondContact O-CG 3.45Å; I226-L230 PolarHBondContact O-N 3.12Å; I227-L230 PolarHBondContact O-N 3.33Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.8Å; L230-V233 WeakPolarHBondContact O-CB 3.27Å; L230-V233 PolarHBondContact O-N 3.39Å; L230-F234 WeakPolarHBondContact O-CD2 3.36Å; L230-F234 PolarHBondContact O-N 3.3Å; L230-F234 VanDerWaalsContact O-N 3.12Å
231Q89.9Confident85.3Confident108 Ų108100.7 Ų100.751%0.50552%0.524SS..Hα-helixtrans-63.2-43.3175.7-176175.9-5.400111.3I227 Y228 Q229 V233 F234 N235I227-Q231 WeakPolarHBondContact O-CB 3.26Å; I227-Q231 PolarHBondContact O-N 3.29Å; Y228-Q231 WeakPolarHBondContact O-CB 3.31Å; Y228-Q231 PolarHBondContact O-N 3.4Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q229-Q231 PolarHBondContact O-N 3.36Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 3.39Å; Q231-F234 PolarHBondContact O-N 3.3Å; Q231-N235 VanDerWaalsContact O-CG 3.31Å; Q231-N235 PolarHBondContact O-N 3.32Å; Q231-N235 PolarHBondContact O-ND2 3.47Å
232D92.6Very high85.6Confident92 Ų92100.2 Ų100.249%0.49251%0.514SS..Hα-helixtrans-60.9-39.9174.8-71.3-21.4000111.7Y228 Q229 F234 N235 L236Y228-D232 PolarHBondContact O-N 3.21Å; Q229-D232 PolarHBondContact O-N 2.82Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.98Å; D232-N235 PolarHBondContact O-N 3.31Å; D232-L236 WeakPolarHBondContact O-CB 3.4Å; D232-L236 VanDerWaalsContact O-CG 3.27Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 3.19Å
233V91.1Very high85.7Confident88 Ų88103 Ų10353%0.53353%0.53SS..Hα-helixtrans-58.6-43.9174.5175.50000111.3Q229 L230 Q231 L236 L237Q229-V233 WeakPolarHBondContact O-CG2 3.4Å; Q229-V233 PolarHBondContact O-N 3.2Å; L230-V233 WeakPolarHBondContact O-CB 3.27Å; L230-V233 PolarHBondContact O-N 3.39Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 3.39Å; V233-L236 PolarHBondContact O-N 2.9Å; V233-L237 PolarHBondContact O-N 3.34Å
234F88.3Confident85.9Confident137 Ų137107.9 Ų107.960%0.60155%0.55SS**Hα-helixtrans-67.8-37.1177.3-74.2-66.1000112.7L230 Q231 D232 L236 L237L230-F234 WeakPolarHBondContact O-CD2 3.36Å; L230-F234 PolarHBondContact O-N 3.3Å; L230-F234 VanDerWaalsContact O-N 3.12Å; Q231-F234 PolarHBondContact O-N 3.3Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.98Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.43Å; F234-L237 HydrophobicContact CD1-CD1 3.86Å; F234-L237 PolarHBondContact O-N 2.99Å
235N89.6Confident86.2Confident115 Ų115108.9 Ų108.962%0.61555%0.554SS**Hα-helixtrans-68.9-28.6177.2-69.9-22000112.8Q231 D232Q231-N235 VanDerWaalsContact O-CG 3.31Å; Q231-N235 PolarHBondContact O-N 3.32Å; Q231-N235 PolarHBondContact O-ND2 3.47Å; D232-N235 PolarHBondContact O-N 3.31Å
236L91.4Very high86.5Confident141 Ų141106 Ų10674%0.73854%0.544SS*.THydrogen-bonded Turntrans-86.5-2.6179.2-72.3168.2000113.6D232 V233 F234 P238D232-L236 WeakPolarHBondContact O-CB 3.4Å; D232-L236 VanDerWaalsContact O-CG 3.27Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 3.19Å; V233-L236 PolarHBondContact O-N 2.9Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.43Å; L236-P238 VanDerWaalsContact O-CD 3.31Å; L236-P238 WeakPolarHBondContact O-CD 3.16Å
237L85.1Confident86.7Confident108 Ų108110.6 Ų110.657%0.56556%0.561SS**  trans-62.2119.4177-80.6170.1000109.7V233 F234 D239V233-L237 PolarHBondContact O-N 3.34Å; F234-L237 HydrophobicContact CD1-CD1 3.86Å; F234-L237 PolarHBondContact O-N 2.99Å; L237-D239 PolarHBondContact O-N 3.01Å
238P82.5Confident86.9Confident103 Ų103110.4 Ų110.467%0.66957%0.568SS**  trans-74.4132.1-175.928.6-33.2000110.9L236 V240L236-P238 VanDerWaalsContact O-CD 3.31Å; L236-P238 WeakPolarHBondContact O-CD 3.16Å; P238-V240 PolarHBondContact O-N 2.98Å
239D77.3Confident86.9Confident129 Ų129109.9 Ų109.969%0.6957%0.569SS**  trans-72.495.7169.1-80.2-35.2000110.5L237 N241 L242L237-D239 PolarHBondContact O-N 3.01Å; D239-N241 PolarHBondContact O-N 2.91Å; D239-N241 VanDerWaalsContact O-N 3.17Å; D239-L242 HydrophobicContact CB-CD1 4.37Å; D239-L242 HydrophobicContact CB-CG 4.29Å; D239-L242 WeakPolarHBondContact O-CG 3.44Å; D239-L242 PolarHBondContact O-N 3.3Å
240V74.1Confident86.9Confident86 Ų86112.6 Ų112.652%0.52158%0.576SS.*THydrogen-bonded Turntrans-67.2-12.8-177.8-68.70000114.4P238 L242P238-V240 PolarHBondContact O-N 2.98Å; V240-L242 VanDerWaalsContact C-N 3.33Å; V240-L242 PolarHBondContact O-N 3.48Å
241N78.5Confident87.1Confident153 Ų153116.2 Ų116.282%0.81860%0.595SS**THydrogen-bonded Turntrans-89.47.3-177.6-73.8-20.8000114.1D239 L243D239-N241 PolarHBondContact O-N 2.91Å; D239-N241 VanDerWaalsContact O-N 3.17Å; N241-L243 PolarHBondContact O-N 3.01Å
242L85.9Confident87.3Confident106 Ų106117.7 Ų117.756%0.55560%0.6SS**  trans-66133.6174.4-68.5170.2000110.8D239 V240 E244 F245 T246D239-L242 HydrophobicContact CB-CD1 4.37Å; D239-L242 HydrophobicContact CB-CG 4.29Å; D239-L242 WeakPolarHBondContact O-CG 3.44Å; D239-L242 PolarHBondContact O-N 3.3Å; V240-L242 VanDerWaalsContact C-N 3.33Å; V240-L242 PolarHBondContact O-N 3.48Å; L242-E244 PolarHBondContact O-N 3.06Å; L242-F245 HydrophobicContact CB-CB 4.18Å; L242-F245 PolarHBondContact O-N 2.86Å; L242-F245 VanDerWaalsContact O-N 3.17Å; L242-T246 PolarHBondContact O-N 3.39Å; L242-T246 PolarHBondContact O-OG1 3.09Å; L242-T246 VanDerWaalsContact O-OG1 3.09Å
243L83.3Confident87.4Confident155 Ų155116.2 Ų116.281%0.81259%0.594SS**Hα-helixtrans-64.3-32.9-175.4-155.2129.6000111.9N241 K247N241-L243 PolarHBondContact O-N 3.01Å; L243-K247 WeakPolarHBondContact O-CB 3.41Å; L243-K247 PolarHBondContact O-N 3.44Å
244E86.8Confident87.6Confident166 Ų166117 Ų11778%0.77660%0.595SS**Hα-helixtrans-67.5-44.7174.3-174169.2-166.500112.2L242 T246 K247 A248L242-E244 PolarHBondContact O-N 3.06Å; E244-T246 VanDerWaalsContact C-N 3.35Å; E244-T246 PolarHBondContact O-N 2.92Å; E244-K247 PolarHBondContact O-N 3.06Å; E244-A248 WeakPolarHBondContact O-CB 3.4Å; E244-A248 PolarHBondContact O-N 3.19Å
245F88.4Confident88Confident108 Ų108113.9 Ų113.947%0.47459%0.585SS.*Hα-helixtrans-61.9-44.4175.7-178.6-98.4000111.2L242 K247 A248 F249L242-F245 HydrophobicContact CB-CB 4.18Å; L242-F245 PolarHBondContact O-N 2.86Å; L242-F245 VanDerWaalsContact O-N 3.17Å; F245-K247 PolarHBondContact O-N 3.3Å; F245-A248 PolarHBondContact O-N 3.09Å; F245-F249 VanDerWaalsContact O-CB 3.27Å; F245-F249 WeakPolarHBondContact O-CB 3.29Å; F245-F249 PolarHBondContact O-N 2.82Å
246T89.3Confident88.2Confident50 Ų50114.5 Ų114.531%0.30758%0.584SS.*Hα-helixtrans-59.3-46.8177.5-610000111.4L242 E244 F249 Y250L242-T246 PolarHBondContact O-N 3.39Å; L242-T246 PolarHBondContact O-OG1 3.09Å; L242-T246 VanDerWaalsContact O-OG1 3.09Å; E244-T246 VanDerWaalsContact C-N 3.35Å; E244-T246 PolarHBondContact O-N 2.92Å; T246-F249 PolarHBondContact O-N 3.1Å; T246-Y250 HydrophobicContact CG2-CD2 3.72Å; T246-Y250 HydrophobicContact CG2-CE2 3.33Å; T246-Y250 WeakPolarHBondContact O-CD2 3.31Å; T246-Y250 PolarHBondContact O-N 3.49Å
247K91.1Very high88.3Confident157 Ų157112.1 Ų112.168%0.68357%0.571SS**Hα-helixtrans-63.3-44177.5-172.8179.6179.5-177.20111.9L243 E244 F245 F249 Y250 L251L243-K247 WeakPolarHBondContact O-CB 3.41Å; L243-K247 PolarHBondContact O-N 3.44Å; E244-K247 PolarHBondContact O-N 3.06Å; F245-K247 PolarHBondContact O-N 3.3Å; K247-F249 VanDerWaalsContact C-N 3.33Å; K247-Y250 PolarHBondContact O-N 3.34Å; K247-L251 PolarHBondContact O-N 3.15Å
248A91.2Very high88.8Confident54 Ų54112.7 Ų112.745%0.44657%0.573SS.*Hα-helixtrans-63.2-40176.600000111.8E244 F245 L251 K252E244-A248 WeakPolarHBondContact O-CB 3.4Å; E244-A248 PolarHBondContact O-N 3.19Å; F245-A248 PolarHBondContact O-N 3.09Å; A248-L251 PolarHBondContact O-N 2.87Å; A248-K252 PolarHBondContact O-N 3.35Å
249F89.4Confident89.4Confident122 Ų122111.9 Ų111.954%0.53557%0.567SS.*Hα-helixtrans-63.9-43.7176.9-173.5-98.6000112F245 T246 K247 K252 T253F245-F249 VanDerWaalsContact O-CB 3.27Å; F245-F249 WeakPolarHBondContact O-CB 3.29Å; F245-F249 PolarHBondContact O-N 2.82Å; T246-F249 PolarHBondContact O-N 3.1Å; K247-F249 VanDerWaalsContact C-N 3.33Å; F249-K252 PolarHBondContact O-N 2.85Å; F249-T253 WeakPolarHBondContact O-CB 3.47Å; F249-T253 PolarHBondContact O-N 3.49Å; F249-T253 PolarHBondContact O-OG1 2.94Å
250Y90.1Very high90.2Very high162 Ų162109.9 Ų109.964%0.63556%0.559SS**Hα-helixtrans-62.1-42.9174.2-78.7-60.1000112.3T246 K247 T253 N254T246-Y250 HydrophobicContact CG2-CD2 3.72Å; T246-Y250 HydrophobicContact CG2-CE2 3.33Å; T246-Y250 WeakPolarHBondContact O-CD2 3.31Å; T246-Y250 PolarHBondContact O-N 3.49Å; K247-Y250 PolarHBondContact O-N 3.34Å; Y250-T253 PolarHBondContact O-N 3.49Å; Y250-N254 WeakPolarHBondContact O-CB 3.32Å; Y250-N254 PolarHBondContact O-N 2.98Å
251L93.9Very high91.2Very high100 Ų100113 Ų11352%0.52456%0.562SS.*Hα-helixtrans-61.1-47.7177.9-171.4147.5000110.9K247 A248 T253 N254 D255K247-L251 PolarHBondContact O-N 3.15Å; A248-L251 PolarHBondContact O-N 2.87Å; L251-T253 PolarHBondContact O-N 3.12Å; L251-N254 PolarHBondContact O-N 2.81Å; L251-D255 WeakPolarHBondContact CD2-OD2 3.39Å; L251-D255 PolarHBondContact O-N 2.78Å
252K94.1Very high92Very high139 Ų139110.9 Ų110.960%0.60455%0.55SS**Hα-helixtrans-65.8-36.7176.7-72.6-55.3-174.3-170.90113.8A248 F249 N254 D255 Q256A248-K252 PolarHBondContact O-N 3.35Å; F249-K252 PolarHBondContact O-N 2.85Å; K252-N254 VanDerWaalsContact C-N 3.34Å; K252-D255 PolarHBondContact O-N 2.8Å; K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 2.87Å
253T94.7Very high92.4Very high62 Ų62107.9 Ų107.938%0.3854%0.541SS..Hα-helixtrans-64.6-41.7175.6-590000110.9F249 Y250 L251 Q256 M257F249-T253 WeakPolarHBondContact O-CB 3.47Å; F249-T253 PolarHBondContact O-N 3.49Å; F249-T253 PolarHBondContact O-OG1 2.94Å; Y250-T253 PolarHBondContact O-N 3.49Å; L251-T253 PolarHBondContact O-N 3.12Å; T253-Q256 PolarHBondContact O-N 2.98Å; T253-M257 VanDerWaalsContact O-CB 3.29Å; T253-M257 WeakPolarHBondContact O-CB 3.29Å; T253-M257 PolarHBondContact O-N 2.87Å
254N95.1Very high93Very high104 Ų104102.8 Ų102.856%0.55652%0.518SS*.Hα-helixtrans-63.7-46177.2-167.225.4000111.8Y250 L251 K252 Q256 M257 L258Y250-N254 WeakPolarHBondContact O-CB 3.32Å; Y250-N254 PolarHBondContact O-N 2.98Å; L251-N254 PolarHBondContact O-N 2.81Å; K252-N254 VanDerWaalsContact C-N 3.34Å; N254-Q256 PolarHBondContact O-N 2.97Å; N254-M257 PolarHBondContact O-N 3.05Å; N254-L258 PolarHBondContact O-N 3.22Å
255D95.5Very high93.4Very high72 Ų72100 Ų10039%0.38551%0.508SS..Hα-helixtrans-58.6-46.4175.8-68.3-15.4000111.6L251 K252 M257 L258 V259L251-D255 WeakPolarHBondContact CD2-OD2 3.39Å; L251-D255 PolarHBondContact O-N 2.78Å; K252-D255 PolarHBondContact O-N 2.8Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.05Å; D255-L258 WeakPolarHBondContact O-CB 3.29Å; D255-L258 PolarHBondContact O-N 3.39Å; D255-V259 PolarHBondContact O-N 3.12Å
256Q94.6Very high93.7Very high127 Ų12799.4 Ų99.459%0.59351%0.509SS*.Hα-helixtrans-64.3-39.4178.9-173.165.8800111.5K252 T253 N254 V259 V260K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 2.87Å; T253-Q256 PolarHBondContact O-N 2.98Å; N254-Q256 PolarHBondContact O-N 2.97Å; Q256-V259 PolarHBondContact O-N 3.02Å; Q256-V260 VanDerWaalsContact O-CG2 3.25Å; Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.29Å; Q256-V260 VanDerWaalsContact O-N 3.09Å
257M94.5Very high94Very high92 Ų92105.7 Ų105.745%0.45353%0.527SS..Hα-helixtrans-67.3-37.2178.9-166.9157.670.400111.5T253 N254 D255 V259 V260 Y261T253-M257 VanDerWaalsContact O-CB 3.29Å; T253-M257 WeakPolarHBondContact O-CB 3.29Å; T253-M257 PolarHBondContact O-N 2.87Å; N254-M257 PolarHBondContact O-N 3.05Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.05Å; M257-V259 VanDerWaalsContact C-N 3.33Å; M257-V259 PolarHBondContact O-N 2.96Å; M257-V260 WeakPolarHBondContact O-CB 3.33Å; M257-V260 PolarHBondContact O-N 3.08Å; M257-V260 VanDerWaalsContact O-N 3.16Å; M257-Y261 HydrophobicContact CG-CD2 3.83Å; M257-Y261 HydrophobicContact CG-CE2 3.59Å; M257-Y261 WeakPolarHBondContact O-CD2 3.14Å; M257-Y261 PolarHBondContact O-N 2.79Å; M257-Y261 HydrophobicContact SD-CE2 4.21Å
258L94.7Very high94.2Very high119 Ų119101.9 Ų101.962%0.62352%0.52SS*.Hα-helixtrans-58.3-44.1173-177.767.4000111.9N254 D255 V260 Y261 L262N254-L258 PolarHBondContact O-N 3.22Å; D255-L258 WeakPolarHBondContact O-CB 3.29Å; D255-L258 PolarHBondContact O-N 3.39Å; L258-V260 VanDerWaalsContact C-N 3.33Å; L258-V260 PolarHBondContact O-N 3.39Å; L258-Y261 PolarHBondContact O-N 3.02Å; L258-L262 PolarHBondContact O-N 2.65Å
259V95.6Very high94.4Very high87 Ų87103.6 Ų103.653%0.52753%0.525SS..Hα-helixtrans-62.4-41.3175.9176.10000111.1D255 Q256 M257 Y261 L262 A263D255-V259 PolarHBondContact O-N 3.12Å; Q256-V259 PolarHBondContact O-N 3.02Å; M257-V259 VanDerWaalsContact C-N 3.33Å; M257-V259 PolarHBondContact O-N 2.96Å; V259-Y261 VanDerWaalsContact C-N 3.34Å; V259-Y261 PolarHBondContact O-N 2.99Å; V259-L262 PolarHBondContact O-N 3.03Å; V259-A263 WeakPolarHBondContact O-CB 3.07Å; V259-A263 PolarHBondContact O-N 2.97Å
260V94.1Very high94.7Very high87 Ų87101.4 Ų101.453%0.52752%0.521SS..Hα-helixtrans-62.3-41.9176.2177.10000111.4Q256 M257 L258 S264Q256-V260 VanDerWaalsContact O-CG2 3.25Å; Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.29Å; Q256-V260 VanDerWaalsContact O-N 3.09Å; M257-V260 WeakPolarHBondContact O-CB 3.33Å; M257-V260 PolarHBondContact O-N 3.08Å; M257-V260 VanDerWaalsContact O-N 3.16Å; L258-V260 VanDerWaalsContact C-N 3.33Å; L258-V260 PolarHBondContact O-N 3.39Å; V260-S264 WeakPolarHBondContact O-CB 3.43Å; V260-S264 PolarHBondContact O-N 3.41Å; V260-S264 PolarHBondContact O-OG 3.4Å
261Y95.5Very high95Very high152 Ų15296.4 Ų96.460%0.59651%0.513SS*.Hα-helixtrans-64.4-44.9176.3-86.3-69.3000112.5M257 L258 V259 A263 S264 L265M257-Y261 HydrophobicContact CG-CD2 3.83Å; M257-Y261 HydrophobicContact CG-CE2 3.59Å; M257-Y261 WeakPolarHBondContact O-CD2 3.14Å; M257-Y261 PolarHBondContact O-N 2.79Å; M257-Y261 HydrophobicContact SD-CE2 4.21Å; L258-Y261 PolarHBondContact O-N 3.02Å; V259-Y261 VanDerWaalsContact C-N 3.34Å; V259-Y261 PolarHBondContact O-N 2.99Å; Y261-A263 PolarHBondContact O-N 3.24Å; Y261-S264 PolarHBondContact O-N 3.01Å; Y261-S264 PolarHBondContact O-OG 2.82Å; Y261-L265 WeakPolarHBondContact O-CB 3.41Å; Y261-L265 PolarHBondContact O-N 3.15Å
262L94.9Very high95.1Very high107 Ų10796.8 Ų96.856%0.5652%0.515SS*.Hα-helixtrans-63.5-44178-175.263.1000111.2L258 V259 S264 L265 I266L258-L262 PolarHBondContact O-N 2.65Å; V259-L262 PolarHBondContact O-N 3.03Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 2.72Å; L262-L265 PolarHBondContact O-N 3.05Å; L262-I266 HydrophobicContact CD1-CD1 4.37Å; L262-I266 HydrophobicContact CG-CD1 4.06Å; L262-I266 VanDerWaalsContact O-CG1 3.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.34Å; L262-I266 PolarHBondContact O-N 2.95Å
263A94.6Very high95.1Very high43 Ų4395.1 Ų95.136%0.35551%0.509SS..Hα-helixtrans-63-38.6177.300000112.4V259 Y261 R267V259-A263 WeakPolarHBondContact O-CB 3.07Å; V259-A263 PolarHBondContact O-N 2.97Å; Y261-A263 PolarHBondContact O-N 3.24Å; A263-R267 WeakPolarHBondContact O-CB 3.16Å; A263-R267 PolarHBondContact O-N 3.36Å
264S95Very high95.1Very high48 Ų4896.1 Ų96.134%0.33651%0.512SS..Hα-helixtrans-69.2-38.4177.272.90000112.1V260 Y261 L262 R267 S268V260-S264 WeakPolarHBondContact O-CB 3.43Å; V260-S264 PolarHBondContact O-N 3.41Å; V260-S264 PolarHBondContact O-OG 3.4Å; Y261-S264 PolarHBondContact O-N 3.01Å; Y261-S264 PolarHBondContact O-OG 2.82Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 2.72Å; S264-R267 PolarHBondContact O-N 3.34Å; S264-S268 PolarHBondContact O-N 3.36Å; S264-S268 PolarHBondContact O-OG 3.13Å; S264-S268 VanDerWaalsContact O-OG 3.11Å
265L95.2Very high95.1Very high108 Ų10896.5 Ų96.557%0.56551%0.514SS*.Hα-helixtrans-64.7-47.4176.3-164.6157.8000111.3Y261 L262 R267 S268 V269Y261-L265 WeakPolarHBondContact O-CB 3.41Å; Y261-L265 PolarHBondContact O-N 3.15Å; L262-L265 PolarHBondContact O-N 3.05Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.34Å; L265-S268 WeakPolarHBondContact O-CB 3.31Å; L265-S268 PolarHBondContact O-N 3.44Å; L265-S268 VanDerWaalsContact O-N 3.17Å; L265-V269 HydrophobicContact CD2-CG2 4.09Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 3.1Å
266I95.5Very high95Very high95 Ų9597 Ų9749%0.48752%0.516SS..Hα-helixtrans-58.2-45174.9-66166.4000110.1L262 S268 V269 V270L262-I266 HydrophobicContact CD1-CD1 4.37Å; L262-I266 HydrophobicContact CG-CD1 4.06Å; L262-I266 VanDerWaalsContact O-CG1 3.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.34Å; L262-I266 PolarHBondContact O-N 2.95Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 2.98Å; I266-V269 PolarHBondContact O-N 3.36Å; I266-V270 HydrophobicContact CG2-CG2 4.43Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 2.88Å
267R94.8Very high95Very high182 Ų18294.2 Ų94.269%0.68751%0.505SS*.Hα-helixtrans-60.6-40.8177.6-169.5-176.8-70.7136.1-3.1111.9A263 S264 L265 V270 A271A263-R267 WeakPolarHBondContact O-CB 3.16Å; A263-R267 PolarHBondContact O-N 3.36Å; S264-R267 PolarHBondContact O-N 3.34Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.34Å; R267-V270 PolarHBondContact O-N 3.32Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.12Å; R267-A271 PolarHBondContact O-N 3Å
268S95.9Very high94.9Very high77 Ų7794.6 Ų94.654%0.53851%0.509SS..Hα-helixtrans-63.1-42.3175.6-66.50000112.5S264 L265 I266 A271 L272S264-S268 PolarHBondContact O-N 3.36Å; S264-S268 PolarHBondContact O-OG 3.13Å; S264-S268 VanDerWaalsContact O-OG 3.11Å; L265-S268 WeakPolarHBondContact O-CB 3.31Å; L265-S268 PolarHBondContact O-N 3.44Å; L265-S268 VanDerWaalsContact O-N 3.17Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 2.98Å; S268-A271 PolarHBondContact O-N 3.09Å; S268-L272 WeakPolarHBondContact O-CB 3.01Å; S268-L272 PolarHBondContact O-N 3.09Å
269V95.4Very high94.9Very high91 Ų9196.6 Ų96.655%0.55251%0.512SS*.Hα-helixtrans-64.8-44.1177174.70000111.1L265 I266 L272 H273L265-V269 HydrophobicContact CD2-CG2 4.09Å; L265-V269 WeakPolarHBondContact O-CG2 3.34Å; L265-V269 PolarHBondContact O-N 3.1Å; I266-V269 PolarHBondContact O-N 3.36Å; V269-L272 PolarHBondContact O-N 3.27Å; V269-H273 PolarHBondContact O-N 3.09Å
270V95.9Very high94.7Very high76 Ų7696 Ų9646%0.46151%0.505SS..Hα-helixtrans-62.7-44.5176172.80000111.1I266 R267 L272 H273 N274I266-V270 HydrophobicContact CG2-CG2 4.43Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 2.88Å; R267-V270 PolarHBondContact O-N 3.32Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 2.92Å; V270-H273 PolarHBondContact O-N 3.33Å; V270-N274 WeakPolarHBondContact O-CB 3.45Å; V270-N274 VanDerWaalsContact O-CG 3.3Å; V270-N274 PolarHBondContact O-N 2.92Å
271A95.6Very high94.5Very high56 Ų5695.4 Ų95.446%0.46351%0.505SS..Hα-helixtrans-61.7-39.4177.100000112R267 S268 N274 L275R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.12Å; R267-A271 PolarHBondContact O-N 3Å; S268-A271 PolarHBondContact O-N 3.09Å; A271-N274 PolarHBondContact O-N 3.36Å; A271-L275 WeakPolarHBondContact O-CB 3.46Å; A271-L275 PolarHBondContact O-N 3.35Å
272L95.2Very high94.3Very high108 Ų10893 Ų9357%0.56550%0.503SS*.Hα-helixtrans-67.7-42.1176.9-165.9148.8000111.4S268 V269 V270 L275 I276S268-L272 WeakPolarHBondContact O-CB 3.01Å; S268-L272 PolarHBondContact O-N 3.09Å; V269-L272 PolarHBondContact O-N 3.27Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 2.92Å; L272-L275 WeakPolarHBondContact O-CB 3.37Å; L272-L275 PolarHBondContact O-N 2.88Å; L272-I276 HydrophobicContact CD2-CD1 3.61Å; L272-I276 HydrophobicContact CD2-CG1 4.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.33Å; L272-I276 PolarHBondContact O-N 3.2Å
273H94.9Very high94.1Very high105 Ų10594.2 Ų94.249%0.48650%0.5SS..Hα-helixtrans-61.5-43.9173.9-17272.6000111.8V269 V270 L275 I276 N277V269-H273 PolarHBondContact O-N 3.09Å; V270-H273 PolarHBondContact O-N 3.33Å; H273-L275 VanDerWaalsContact C-N 3.31Å; H273-L275 PolarHBondContact O-N 3.26Å; H273-I276 PolarHBondContact O-N 2.89Å; H273-N277 PolarHBondContact CD2-ND2 3.09Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.36Å; H273-N277 PolarHBondContact O-N 3.44Å
274N94.3Very high93.8Very high83 Ų8395.3 Ų95.344%0.44450%0.5SS..Hα-helixtrans-61.7-38.8174.4-71.9-13.9000111.9V270 A271 N277 N278V270-N274 WeakPolarHBondContact O-CB 3.45Å; V270-N274 VanDerWaalsContact O-CG 3.3Å; V270-N274 PolarHBondContact O-N 2.92Å; A271-N274 PolarHBondContact O-N 3.36Å; N274-N277 PolarHBondContact O-N 2.87Å; N274-N278 WeakPolarHBondContact O-CB 3.26Å; N274-N278 PolarHBondContact O-N 3.44Å
275L95.1Very high93.4Very high112 Ų11295.3 Ų95.359%0.58650%0.503SS*.Hα-helixtrans-64.2-41.4175.9-176.166.6000111.8A271 L272 H273 N278 K279A271-L275 WeakPolarHBondContact O-CB 3.46Å; A271-L275 PolarHBondContact O-N 3.35Å; L272-L275 WeakPolarHBondContact O-CB 3.37Å; L272-L275 PolarHBondContact O-N 2.88Å; H273-L275 VanDerWaalsContact C-N 3.31Å; H273-L275 PolarHBondContact O-N 3.26Å; L275-N278 PolarHBondContact O-N 2.99Å; L275-K279 WeakPolarHBondContact O-CB 3.32Å; L275-K279 PolarHBondContact O-N 2.88Å
276I93.8Very high93Very high82 Ų8296.8 Ų96.842%0.42151%0.507SS..Hα-helixtrans-61.1-49.4174.8-68.6170.1000109.9L272 H273 N278 K279 I280L272-I276 HydrophobicContact CD2-CD1 3.61Å; L272-I276 HydrophobicContact CD2-CG1 4.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.33Å; L272-I276 PolarHBondContact O-N 3.2Å; H273-I276 PolarHBondContact O-N 2.89Å; I276-N278 VanDerWaalsContact C-N 3.33Å; I276-N278 PolarHBondContact O-N 3.21Å; I276-K279 PolarHBondContact O-N 3.38Å; I276-K279 VanDerWaalsContact O-N 3.16Å; I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 HydrophobicContact CG2-CG1 4.41Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 3.02Å
277N94Very high92.4Very high69 Ų6997.8 Ų97.837%0.36951%0.507SS..Hα-helixtrans-60.8-42.9179.3-69.6-18.3000111.5H273 N274 K279 I280 S281H273-N277 PolarHBondContact CD2-ND2 3.09Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.36Å; H273-N277 PolarHBondContact O-N 3.44Å; N274-N277 PolarHBondContact O-N 2.87Å; N277-K279 PolarHBondContact O-N 3.35Å; N277-I280 PolarHBondContact O-N 3.04Å; N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.49Å
278N94Very high91.8Very high100 Ų10096 Ų9654%0.53551%0.505SS..Hα-helixtrans-62.3-41.4175.2-74.5-7.7000112N274 L275 I276 S281 N282N274-N278 WeakPolarHBondContact O-CB 3.26Å; N274-N278 PolarHBondContact O-N 3.44Å; L275-N278 PolarHBondContact O-N 2.99Å; I276-N278 VanDerWaalsContact C-N 3.33Å; I276-N278 PolarHBondContact O-N 3.21Å; N278-S281 PolarHBondContact O-N 3.37Å; N278-N282 WeakPolarHBondContact O-CB 3.2Å; N278-N282 VanDerWaalsContact O-CG 3.28Å; N278-N282 PolarHBondContact O-N 2.92Å; N278-N282 PolarHBondContact O-OD1 2.99Å
279K92.9Very high90.9Very high160 Ų16097.4 Ų97.470%0.69650%0.502SS*.Hα-helixtrans-64.7-41.2176-100.2-108.2179.4177.70112.6L275 I276 N277 R283L275-K279 WeakPolarHBondContact O-CB 3.32Å; L275-K279 PolarHBondContact O-N 2.88Å; I276-K279 PolarHBondContact O-N 3.38Å; I276-K279 VanDerWaalsContact O-N 3.16Å; N277-K279 PolarHBondContact O-N 3.35Å; K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.04Å; K279-R283 PolarHBondContact O-N 3.4Å
280I91.9Very high89.9Confident75 Ų7594.6 Ų94.639%0.38549%0.492SS..Hα-helixtrans-64.7-50176.7-66.6167.5000109.5I276 N277 N282 R283 D284I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 HydrophobicContact CG2-CG1 4.41Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 3.02Å; N277-I280 PolarHBondContact O-N 3.04Å; I280-N282 VanDerWaalsContact C-N 3.35Å; I280-N282 PolarHBondContact O-N 3.41Å; I280-R283 PolarHBondContact O-N 2.99Å; I280-D284 PolarHBondContact O-N 3.15Å
281S90.6Very high88.6Confident74 Ų7496.8 Ų96.852%0.51750%0.497SS..Hα-helixtrans-57.3-45.4177.6-171.40000112.1N277 N278 D284 A285N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.49Å; N278-S281 PolarHBondContact O-N 3.37Å; S281-D284 PolarHBondContact O-N 2.9Å; S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.36Å; S281-A285 PolarHBondContact O-N 3.2Å
282N90.2Very high87.1Confident102 Ų102100.6 Ų100.655%0.54551%0.506SS..Hα-helixtrans-65.3-41.9177.8-76.62.3000112N278 I280 D284 A285 E286N278-N282 WeakPolarHBondContact O-CB 3.2Å; N278-N282 VanDerWaalsContact O-CG 3.28Å; N278-N282 PolarHBondContact O-N 2.92Å; N278-N282 PolarHBondContact O-OD1 2.99Å; I280-N282 VanDerWaalsContact C-N 3.35Å; I280-N282 PolarHBondContact O-N 3.41Å; N282-D284 VanDerWaalsContact C-N 3.34Å; N282-D284 PolarHBondContact O-N 3.31Å; N282-A285 PolarHBondContact O-N 2.68Å; N282-E286 WeakPolarHBondContact O-CB 3.22Å; N282-E286 WeakPolarHBondContact O-CG 3.29Å; N282-E286 PolarHBondContact O-N 3.48Å
283R91.1Very high85.5Confident132 Ų132101.8 Ų101.850%0.49851%0.506SS..Hα-helixtrans-64.9-39.9178.4-172.1-17269.6177.4-2.3111.8K279 I280 K287K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.04Å; K279-R283 PolarHBondContact O-N 3.4Å; I280-R283 PolarHBondContact O-N 2.99Å; R283-K287 VanDerWaalsContact O-CG 3.31Å; R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.2Å
284D88.3Confident83.8Confident67 Ų67103.1 Ų103.136%0.35851%0.513SS..Hα-helixtrans-73.9-32.7179.4-64.9-18.5000111.2I280 S281 N282 K288I280-D284 PolarHBondContact O-N 3.15Å; S281-D284 PolarHBondContact O-N 2.9Å; N282-D284 VanDerWaalsContact C-N 3.34Å; N282-D284 PolarHBondContact O-N 3.31Å; D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 2.75Å
285A87.2Confident82.1Confident48 Ų48105.3 Ų105.340%0.39752%0.52SS..Hα-helixtrans-64.9-46.2168.800000112.4S281 N282 K287 K288 E289S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.36Å; S281-A285 PolarHBondContact O-N 3.2Å; N282-A285 PolarHBondContact O-N 2.68Å; A285-K287 VanDerWaalsContact C-N 3.3Å; A285-K287 PolarHBondContact O-N 2.87Å; A285-K288 PolarHBondContact O-N 3.4Å; A285-E289 PolarHBondContact O-N 3.29Å
286E86.3Confident80.4Confident139 Ų139101.4 Ų101.465%0.6551%0.507SS*.Hα-helixtrans-60.5-38.7175.5-78.6176.9175.700112.1N282 G290N282-E286 WeakPolarHBondContact O-CB 3.22Å; N282-E286 WeakPolarHBondContact O-CG 3.29Å; N282-E286 PolarHBondContact O-N 3.48Å; E286-G290 PolarHBondContact O-N 3.14Å
287K83.6Confident78.7Confident115 Ų115105 Ų10550%0.552%0.52SS..Hα-helixtrans-66.1-42174.9-77176.5179.3-176.70112.2R283 A285 G290 Q291R283-K287 VanDerWaalsContact O-CG 3.31Å; R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.2Å; A285-K287 VanDerWaalsContact C-N 3.3Å; A285-K287 PolarHBondContact O-N 2.87Å; K287-G290 PolarHBondContact O-N 3.26Å; K287-Q291 WeakPolarHBondContact O-CB 3.5Å; K287-Q291 WeakPolarHBondContact O-CG 3.25Å; K287-Q291 PolarHBondContact O-N 3.17Å
288K81.3Confident76.9Confident146 Ų146108.4 Ų108.464%0.63553%0.531SS*.Hα-helixtrans-65-44.6175.4-78.4-177.1175.7-176.10111.7D284 A285 G290 Q291 E292D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 2.75Å; A285-K288 PolarHBondContact O-N 3.4Å; K288-G290 VanDerWaalsContact C-N 3.29Å; K288-G290 PolarHBondContact O-N 2.99Å; K288-Q291 PolarHBondContact O-N 2.76Å; K288-E292 PolarHBondContact O-N 3.38Å
289E77.4Confident75.1Confident105 Ų105110.5 Ų110.549%0.49154%0.538SS..Hα-helixtrans-62.4-37173.4-77.4-166-171.200112.5A285 K293A285-E289 PolarHBondContact O-N 3.29Å; E289-K293 VanDerWaalsContact O-CB 3.3Å; E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 2.86Å; E289-K293 WeakPolarHBondContact O-CG 3.47Å; E289-K293 PolarHBondContact O-N 2.8Å; E289-K293 IonicContact OE2-NZ 3.12Å; E289-K293 PolarHBondContact OE2-NZ 2.9Å; E289-K293 VanDerWaalsContact OE2-NZ 3.12Å
290G73.6Confident73.4Confident32 Ų32110.8 Ų110.833%0.3354%0.539SS..Hα-helixtrans-63.9-42.8174.800000112.1E286 K287 K288 K293 E294E286-G290 PolarHBondContact O-N 3.14Å; K287-G290 PolarHBondContact O-N 3.26Å; K288-G290 VanDerWaalsContact C-N 3.29Å; K288-G290 PolarHBondContact O-N 2.99Å; G290-K293 PolarHBondContact O-N 3.04Å; G290-E294 WeakPolarHBondContact O-CG 3.09Å; G290-E294 PolarHBondContact O-N 3.34Å
291Q69.9Low71.8Confident122 Ų122113.9 Ų113.957%0.5755%0.55SS*.Hα-helixtrans-67.1-43.5175.9-77.3178.7-25.700112.2K287 K288 K293 E294 E295K287-Q291 WeakPolarHBondContact O-CB 3.5Å; K287-Q291 WeakPolarHBondContact O-CG 3.25Å; K287-Q291 PolarHBondContact O-N 3.17Å; K288-Q291 PolarHBondContact O-N 2.76Å; Q291-K293 VanDerWaalsContact C-N 3.31Å; Q291-K293 PolarHBondContact O-N 3.06Å; Q291-E294 CarbonylContact O-C 3.59Å; Q291-E294 PolarHBondContact O-N 3.45Å; Q291-E294 VanDerWaalsContact O-N 3.13Å; Q291-E295 WeakPolarHBondContact O-CB 3.22Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.98Å
292E63.4Low70.2Confident137 Ų137114.3 Ų114.364%0.6455%0.546SS*.Hα-helixtrans-63.4-36.3174.5-74.8179.9174.700112K288 G296K288-E292 PolarHBondContact O-N 3.38Å; E292-G296 PolarHBondContact O-N 3.4Å
293K62.8Low68.7Low132 Ų132114.9 Ų114.957%0.57455%0.549SS*.Hα-helixtrans-69.8-30.8173.7-74.7167.7-171.3158.40112.6E289 G290 Q291 K297E289-K293 VanDerWaalsContact O-CB 3.3Å; E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 2.86Å; E289-K293 WeakPolarHBondContact O-CG 3.47Å; E289-K293 PolarHBondContact O-N 2.8Å; E289-K293 IonicContact OE2-NZ 3.12Å; E289-K293 PolarHBondContact OE2-NZ 2.9Å; E289-K293 VanDerWaalsContact OE2-NZ 3.12Å; G290-K293 PolarHBondContact O-N 3.04Å; Q291-K293 VanDerWaalsContact C-N 3.31Å; Q291-K293 PolarHBondContact O-N 3.06Å; K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 3.36Å
294E59.3Low67.1Low134 Ų134115.4 Ų115.463%0.62656%0.555SS**Hα-helixtrans-77.7-39.3173.7-79.3-163.9163.300112.6G290 Q291 K297 K298G290-E294 WeakPolarHBondContact O-CG 3.09Å; G290-E294 PolarHBondContact O-N 3.34Å; Q291-E294 CarbonylContact O-C 3.59Å; Q291-E294 PolarHBondContact O-N 3.45Å; Q291-E294 VanDerWaalsContact O-N 3.13Å; E294-K297 PolarHBondContact O-N 2.7Å; E294-K298 PolarHBondContact O-N 2.75Å
295E58.2Low65.7Low128 Ų128117.7 Ų117.760%0.59856%0.564SS**Hα-helixtrans-65.2-45.3174-75-174.9166.600110.9Q291 K297 K298 E299Q291-E295 WeakPolarHBondContact O-CB 3.22Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.98Å; E295-K297 PolarHBondContact O-N 3.23Å; E295-K298 PolarHBondContact O-N 3.31Å; E295-K298 VanDerWaalsContact O-N 3.09Å; E295-E299 PolarHBondContact O-N 3.49Å
296G58.5Low64.4Low31 Ų31121.9 Ų121.932%0.3257%0.573SS.*Hα-helixtrans-65.3-22.1172.900000114.3E292 K300E292-G296 PolarHBondContact O-N 3.4Å; G296-K300 WeakPolarHBondContact O-CG 3.49Å; G296-K300 PolarHBondContact O-N 3.49Å
297K59Low63Low158 Ų158122.4 Ų122.469%0.68757%0.573SS**Hα-helixtrans-81.1-35.9170.2-89.2-179.2178.7175.90112.4K293 E294 E295 K301K293-K297 WeakPolarHBondContact O-CB 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.38Å; K293-K297 PolarHBondContact O-N 3.36Å; E294-K297 PolarHBondContact O-N 2.7Å; E295-K297 PolarHBondContact O-N 3.23Å; K297-K301 WeakPolarHBondContact O-CB 3.4Å; K297-K301 PolarHBondContact O-N 3.42Å
298K56.6Low61.7Low140 Ų140121.2 Ų121.261%0.60957%0.572SS**Hα-helixtrans-66.7-44.7173.6-89.3179.7174.8174.20111.2E294 E295 K300 K301 D302E294-K298 PolarHBondContact O-N 2.75Å; E295-K298 PolarHBondContact O-N 3.31Å; E295-K298 VanDerWaalsContact O-N 3.09Å; K298-K300 VanDerWaalsContact C-N 3.32Å; K298-K300 PolarHBondContact O-N 2.94Å; K298-K301 CarbonylContact O-C 3.6Å; K298-K301 WeakPolarHBondContact O-CA 3.34Å; K298-K301 WeakPolarHBondContact O-CB 3.16Å; K298-K301 PolarHBondContact O-N 3.45Å; K298-D302 PolarHBondContact O-N 3.44Å
299E55.5Low60.6Low143 Ų143120.8 Ų120.867%0.66857%0.572SS**Hα-helixtrans-58.8-42.8174.2-75.1-171.9154.500111.9E295 K301 D302 D303E295-E299 PolarHBondContact O-N 3.49Å; E299-K301 VanDerWaalsContact C-N 3.28Å; E299-K301 PolarHBondContact O-N 3.46Å; E299-D302 PolarHBondContact O-N 3.18Å; E299-D303 WeakPolarHBondContact O-CB 3.46Å; E299-D303 PolarHBondContact O-N 3.34Å
300K57.8Low59.7Low167 Ų167123.1 Ų123.173%0.72658%0.581SS**Hα-helixtrans-66.4-25.7174-79.8-178.8179.9176.20114.2G296 K298 K304G296-K300 WeakPolarHBondContact O-CG 3.49Å; G296-K300 PolarHBondContact O-N 3.49Å; K298-K300 VanDerWaalsContact C-N 3.32Å; K298-K300 PolarHBondContact O-N 2.94Å; K300-K304 PolarHBondContact O-N 2.87Å
301K57.5Low58.9Low139 Ų139126 Ų12660%0.60459%0.589SS**Hα-helixtrans-80.6-43.4176.7-125.5-175176.8-168.50110.8K297 K298 E299 D303 K304 E305K297-K301 WeakPolarHBondContact O-CB 3.4Å; K297-K301 PolarHBondContact O-N 3.42Å; K298-K301 CarbonylContact O-C 3.6Å; K298-K301 WeakPolarHBondContact O-CA 3.34Å; K298-K301 WeakPolarHBondContact O-CB 3.16Å; K298-K301 PolarHBondContact O-N 3.45Å; E299-K301 VanDerWaalsContact C-N 3.28Å; E299-K301 PolarHBondContact O-N 3.46Å; K301-D303 VanDerWaalsContact C-N 3.34Å; K301-D303 PolarHBondContact O-N 3.44Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.94Å; K301-K304 VanDerWaalsContact O-N 3.07Å; K301-E305 PolarHBondContact O-N 3.02Å
302D57.7Low58.3Low83 Ų83126.9 Ų126.944%0.44459%0.591SS.*Hα-helixtrans-65.7-36.1177.1-71-5000111.3K298 E299 K304 K306K298-D302 PolarHBondContact O-N 3.44Å; E299-D302 PolarHBondContact O-N 3.18Å; D302-K304 VanDerWaalsContact C-N 3.28Å; D302-K304 PolarHBondContact O-N 2.91Å; D302-K306 WeakPolarHBondContact O-CB 3.04Å; D302-K306 VanDerWaalsContact O-CG 3.29Å; D302-K306 WeakPolarHBondContact O-CG 3.19Å; D302-K306 PolarHBondContact O-N 2.74Å
303D58.3Low58Low115 Ų115125.2 Ų125.262%0.61559%0.587SS**Hα-helixtrans-67.9-28.7172.4-111.3-2.6000112.7E299 K301 K307E299-D303 WeakPolarHBondContact O-CB 3.46Å; E299-D303 PolarHBondContact O-N 3.34Å; K301-D303 VanDerWaalsContact C-N 3.34Å; K301-D303 PolarHBondContact O-N 3.44Å; D303-K307 PolarHBondContact O-N 3.01Å
304K58.2Low57.8Low143 Ų143125.1 Ų125.162%0.62259%0.586SS**Hα-helixtrans-78.3-42.1177.2-155.6177.2-176.4-175.20111.2K300 K301 D302 K307 D308K300-K304 PolarHBondContact O-N 2.87Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.94Å; K301-K304 VanDerWaalsContact O-N 3.07Å; D302-K304 VanDerWaalsContact C-N 3.28Å; D302-K304 PolarHBondContact O-N 2.91Å; K304-K307 WeakPolarHBondContact O-CB 3.4Å; K304-K307 PolarHBondContact O-N 2.94Å; K304-D308 PolarHBondContact O-N 3.21Å
305E58.3Low57.6Low115 Ų115125.7 Ų125.754%0.53759%0.589SS.*Hα-helixtrans-66.1-38.8175-75.1-177.5-178.300112.1K301 K307 D308 E309K301-E305 PolarHBondContact O-N 3.02Å; E305-K307 VanDerWaalsContact C-N 3.26Å; E305-K307 PolarHBondContact O-N 3.04Å; E305-D308 PolarHBondContact O-N 3.18Å; E305-E309 PolarHBondContact O-N 3.44Å
306K58.8Low57.4Low135 Ų135126.4 Ų126.459%0.58759%0.59SS**Hα-helixtrans-64.9-28172-76.4177-176.3171.80113.4D302 K310D302-K306 WeakPolarHBondContact O-CB 3.04Å; D302-K306 VanDerWaalsContact O-CG 3.29Å; D302-K306 WeakPolarHBondContact O-CG 3.19Å; D302-K306 PolarHBondContact O-N 2.74Å; K306-K310 WeakPolarHBondContact O-CB 3.21Å; K306-K310 PolarHBondContact O-N 2.71Å
307K57.5Low57.2Low151 Ų151132.4 Ų132.466%0.65761%0.609SS**Hα-helixtrans-73.6-43.5173.5-126.2178.1-179.4178.30111.2D303 K304 E305 K310 D311D303-K307 PolarHBondContact O-N 3.01Å; K304-K307 WeakPolarHBondContact O-CB 3.4Å; K304-K307 PolarHBondContact O-N 2.94Å; E305-K307 VanDerWaalsContact C-N 3.26Å; E305-K307 PolarHBondContact O-N 3.04Å; K307-K310 PolarHBondContact O-N 3.2Å; K307-D311 PolarHBondContact O-N 2.82Å
308D57.3Low57Low89 Ų89133 Ų13348%0.47661%0.612SS.*Hα-helixtrans-69.3-33.2178.7-69.6-21.9000112.4K304 E305 K312K304-D308 PolarHBondContact O-N 3.21Å; E305-D308 PolarHBondContact O-N 3.18Å; D308-K312 WeakPolarHBondContact O-CG 3.23Å; D308-K312 PolarHBondContact O-N 3.17Å; D308-K312 VanDerWaalsContact O-N 3.09Å
309E57.8Low56.8Low137 Ų137129.2 Ų129.264%0.6461%0.607SS**Hα-helixtrans-67.9-41.1170.5-94.2-171.6155.900112.4E305 D311 K312 D313E305-E309 PolarHBondContact O-N 3.44Å; E309-D311 VanDerWaalsContact C-N 3.3Å; E309-D311 PolarHBondContact O-N 3.38Å; E309-K312 PolarHBondContact O-N 3.22Å; E309-D313 PolarHBondContact O-N 3.17Å
310K58Low56.7Low154 Ų154128 Ų12867%0.6761%0.605SS**Hα-helixtrans-63.6-33.6175.1-97.6-178175.5174.90113.3K306 K307 K314K306-K310 WeakPolarHBondContact O-CB 3.21Å; K306-K310 PolarHBondContact O-N 2.71Å; K307-K310 PolarHBondContact O-N 3.2Å; K310-K314 WeakPolarHBondContact O-CG 3.49Å; K310-K314 PolarHBondContact O-N 2.97Å
311D57.1Low56.4Low94 Ų94122 Ų12250%0.50359%0.59SS.*Hα-helixtrans-76.2-33.4175.7-81.4-22.2000112K307 E309 K314 E315K307-D311 PolarHBondContact O-N 2.82Å; E309-D311 VanDerWaalsContact C-N 3.3Å; E309-D311 PolarHBondContact O-N 3.38Å; D311-K314 PolarHBondContact O-N 3.47Å; D311-E315 PolarHBondContact O-N 3.43Å; D311-E315 VanDerWaalsContact O-N 3.11Å
312K57.5Low56Low139 Ų139118.7 Ų118.760%0.60459%0.59SS**Hα-helixtrans-69.4-36.8172.7-78.1178.9-179173.10113.8D308 E309 E315 K316D308-K312 WeakPolarHBondContact O-CG 3.23Å; D308-K312 PolarHBondContact O-N 3.17Å; D308-K312 VanDerWaalsContact O-N 3.09Å; E309-K312 PolarHBondContact O-N 3.22Å; K312-E315 PolarHBondContact O-N 3.01Å; K312-K316 PolarHBondContact O-N 3.47Å
313D57.4Low55.6Low103 Ų103122.7 Ų122.755%0.55160%0.603SS**Hα-helixtrans-69.5-34.3174.8-90-14.7000111.9E309 E315 K316 E317E309-D313 PolarHBondContact O-N 3.17Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 2.98Å; D313-K316 PolarHBondContact O-N 2.86Å; D313-E317 PolarHBondContact O-N 3.04Å
314K56.9Low55.1Low129 Ų129125.6 Ų125.656%0.56161%0.61SS**Hα-helixtrans-66.2-32.6171-78.2178.1-179.5175.20113.5K310 D311 K318K310-K314 WeakPolarHBondContact O-CG 3.49Å; K310-K314 PolarHBondContact O-N 2.97Å; D311-K314 PolarHBondContact O-N 3.47Å; K314-K318 WeakPolarHBondContact O-CG 3.31Å; K314-K318 PolarHBondContact O-N 3.13Å
315E55Low54.6Low146 Ų146125.5 Ų125.568%0.68262%0.617SS**Hα-helixtrans-72.1-36.9172.8-84.1-171.1152.900112.4D311 K312 D313 K318 A319D311-E315 PolarHBondContact O-N 3.43Å; D311-E315 VanDerWaalsContact O-N 3.11Å; K312-E315 PolarHBondContact O-N 3.01Å; D313-E315 VanDerWaalsContact C-N 3.34Å; D313-E315 PolarHBondContact O-N 2.98Å; E315-K318 PolarHBondContact O-N 3.44Å; E315-A319 PolarHBondContact O-N 3.37Å; E315-A319 VanDerWaalsContact O-N 3.13Å
316K54.7Low54.1Low144 Ų144128.8 Ų128.863%0.62663%0.632SS**Hα-helixtrans-68-40.2174.9-81.8-178.6178.21740113K312 D313 K318 A319 D320K312-K316 PolarHBondContact O-N 3.47Å; D313-K316 PolarHBondContact O-N 2.86Å; K316-K318 VanDerWaalsContact C-N 3.3Å; K316-K318 PolarHBondContact O-N 2.75Å; K316-A319 PolarHBondContact O-N 2.89Å; K316-D320 PolarHBondContact O-N 2.93Å
317E54.9Low53.7Low156 Ų156131.6 Ų131.673%0.72964%0.644SS**Hα-helixtrans-64.4-33.4174.9-78.6-169.2150.800112.5D313 G321D313-E317 PolarHBondContact O-N 3.04Å; E317-G321 PolarHBondContact O-N 3.47Å; E317-G321 VanDerWaalsContact O-N 3.13Å
318K54.9Low53.3Low170 Ų170133.6 Ų133.674%0.73965%0.653SS**Hα-helixtrans-69.8-33.2173-76-177.8179.91800113K314 E315 K316K314-K318 WeakPolarHBondContact O-CG 3.31Å; K314-K318 PolarHBondContact O-N 3.13Å; E315-K318 PolarHBondContact O-N 3.44Å; K316-K318 VanDerWaalsContact C-N 3.3Å; K316-K318 PolarHBondContact O-N 2.75Å
319A52.4Low52.8Low61 Ų61138.9 Ų138.950%0.50467%0.672SS.*Hα-helixtrans-74.5-35.3177.500000113.1E315 K316E315-A319 PolarHBondContact O-N 3.37Å; E315-A319 VanDerWaalsContact O-N 3.13Å; K316-A319 PolarHBondContact O-N 2.89Å
320D51.9Low51.9Low117 Ų117146 Ų14663%0.62670%0.7SS**Hα-helixtrans-77.9-25.2176.2-98.2-27.8000113.4K316K316-D320 PolarHBondContact O-N 2.93Å
321G51.3Low51.6Low41 Ų41145.6 Ų145.642%0.42370%0.702SS.*Hα-helixtrans-62.8-40.5169.100000113E317 K323 K324E317-G321 PolarHBondContact O-N 3.47Å; E317-G321 VanDerWaalsContact O-N 3.13Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 3.44Å; G321-K324 PolarHBondContact O-N 3.47Å
322A50.1Low51.3Low71 Ų71148.3 Ų148.359%0.58771%0.712SS**Hα-helixtrans-70.1-25.4-177.900000114
323K49.7Very low51Low167 Ų167148.8 Ų148.873%0.72672%0.718SS**Hα-helixtrans-83-13.7178.1-83.2-180173.3171.50114.4G321G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 3.44Å
324K47.8Very low50.6Low175 Ų175151.5 Ų151.576%0.76173%0.728SS**Hα-helixtrans-89.8-18-179.7-107.2176.9179.2172.10114.3G321G321-K324 PolarHBondContact O-N 3.47Å
325D46.5Very low50.2Low142 Ų142152.9 Ų152.976%0.75974%0.739SS**SBendtrans-85.5-17.9178.7-85.9-31.6000114.5
326E48.9Very low49.9Very low183 Ų183153.4 Ų153.486%0.85574%0.742SS**THydrogen-bonded Turntrans-83.9-7.4178.2-115.4-176.3171.900114.6
327K50.7Low49.5Very low195 Ų195154.1 Ų154.185%0.84875%0.751SS**THydrogen-bonded Turntrans-106.79.4-178.1-104.3-178.5179.7178.80115.5
328K48.8Very low49.1Very low193 Ų193153.9 Ų153.984%0.83975%0.752SS**SBendtrans-119.814.9178.8-104-173.3179.3-1770115.9
329K46.9Very low48.6Very low200 Ų200152.6 Ų152.687%0.8775%0.753SS**  trans-130.277.5164.8-90.2-176.4175.21760110.8
330K38.7Very low48.3Very low286 Ų286160.9 Ų160.9100%1.24378%0.776SS**  trans-1500149-113.8-174.5-177.2-178.30109.1

Retrieved 330 of 330 residues in 169.2 ms (Link to these results)

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