F6THF4_MACMU Loading...

V-set and immunoglobulin domain-containing protein 2

AlphaFold DB , UniProt , Accession F6THF4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene VSIG2, Length 327 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
1M44.1Very low41.3Very low246 Ų246138.5 Ų138.5100%1.21282%0.822SS**  0115.70-70.4177.3-73.300106.9
2A36.5Very low41.9Very low105 Ų105134.3 Ų134.387%0.86881%0.814SS**  trans-159.6147.7174.100000109.1
3E35Very low42.1Very low187 Ų187136.7 Ų136.787%0.87482%0.819SS**  trans-53161-169.8-64.7-72.884.400118.2
4L39.5Very low42.6Very low157 Ų157138.3 Ų138.382%0.82282%0.82SS**  trans-77.3156.8160.3-93.2160.1000110.9
5P42.8Very low42.9Very low121 Ų121132.6 Ų132.679%0.78680%0.801SS**  -141.8162.79638.6-25.5000114.8
6G39Very low43.2Very low62 Ų62134 Ų13464%0.63980%0.802SS**  trans-83.7-161.2158.900000111.8
7P54.8Low43.2Very low100 Ų100135.5 Ų135.565%0.64980%0.804SS**  cis-116.1-163.87.940.5-23.2000111
8F38.3Very low43.3Very low190 Ų190133.9 Ų133.983%0.83380%0.8SS**  -159.1145.666-92.7-86.1000111.6C10F8-C10 PolarHBondContact O-N 3.39Å
9L45.3Very low43.4Very low166 Ų166135.5 Ų135.587%0.86980%0.803SS**  trans-79.7115164.9-70.386.3000109.4G11L9-G11 PolarHBondContact O-N 3.13Å
10C39.3Very low43.9Very low128 Ų128134.1 Ų134.187%0.86580%0.8SS**  trans-90.381.3158-164.60000108.4F8 A12F8-C10 PolarHBondContact O-N 3.39Å; C10-A12 PolarHBondContact O-N 2.71Å
11G39.5Very low44.4Very low61 Ų61130.5 Ų130.563%0.62979%0.791SS**  trans-69.692.5175.900000110.2L9 L13L9-G11 PolarHBondContact O-N 3.13Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 2.79Å
12A48.2Very low45.1Very low88 Ų88122.9 Ų122.973%0.72775%0.754SS**  trans-66.292.317600000110.1C10 L14C10-A12 PolarHBondContact O-N 2.71Å; A12-L14 PolarHBondContact O-N 2.79Å
13L45.5Very low46.4Very low166 Ų166121.3 Ų121.387%0.86974%0.742SS**  trans-63.493162-105.676.5000107.9G11 G15G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 2.79Å; L13-G15 PolarHBondContact O-N 3.27Å
14L48.3Very low48.5Very low159 Ų159113 Ų11383%0.83270%0.704SS**  trans-65.771.1150.9-88.6158.9000107.6A12 L16A12-L14 PolarHBondContact O-N 2.79Å; L14-L16 PolarHBondContact O-N 2.92Å; L14-L16 VanDerWaalsContact O-N 3.09Å
15G47.1Very low50.6Low53 Ų53110.2 Ų110.255%0.54669%0.686SS.*  trans-59.9113.1164.600000106.7L13 L17L13-G15 PolarHBondContact O-N 3.27Å; G15-L17 PolarHBondContact O-N 3.17Å
16L48.6Very low52.9Low155 Ų155105.5 Ų105.581%0.81266%0.656SS**  trans-63.195.4164.8-82.878.8000106.4L14 C18L14-L16 PolarHBondContact O-N 2.92Å; L14-L16 VanDerWaalsContact O-N 3.09Å; L16-C18 PolarHBondContact O-N 3.23Å
17L43.6Very low55.4Low159 Ų159107.8 Ų107.883%0.83265%0.648SS**  trans-58.590.9150.7-78.7167.4000105.6G15 L19G15-L17 PolarHBondContact O-N 3.17Å; L17-L19 PolarHBondContact O-N 2.73Å
18C44Very low57.3Low108 Ų108105.2 Ų105.273%0.7363%0.63SS**  trans-58.790.4157-73.90000106.1L16 S20L16-C18 PolarHBondContact O-N 3.23Å; C18-S20 PolarHBondContact O-N 3.31Å
19L45.6Very low59.9Low164 Ų16499.7 Ų99.786%0.85961%0.614SS**  trans-59.885.5156.5-71.8168.8000105.6L17 G21L17-L19 PolarHBondContact O-N 2.73Å; L19-G21 VanDerWaalsContact C-N 3.26Å; L19-G21 PolarHBondContact O-N 3.08Å
20S53.4Low61.9Low107 Ų10798.7 Ų98.775%0.74861%0.614SS**  trans-59.597.7167.851.40000105.9C18C18-S20 PolarHBondContact O-N 3.31Å
21G54.2Low64.3Low59 Ų59100.1 Ų100.161%0.60861%0.609SS**  trans-53.1155.5176.300000110L19 A23L19-G21 VanDerWaalsContact C-N 3.26Å; L19-G21 PolarHBondContact O-N 3.08Å; G21-A23 PolarHBondContact O-N 2.73Å
22L57.9Low66.5Low85 Ų85101.7 Ų101.745%0.44561%0.607SS.*  trans-72.154.7-176.2-59.7168.9000111.2V24 S50 T131L22-V24 PolarHBondContact O-N 2.67Å; L22-S50 WeakPolarHBondContact CD2-OG 3.31Å; L22-T131 VanDerWaalsContact O-CB 3.3Å; L22-T131 WeakPolarHBondContact O-CB 3.32Å; L22-T131 WeakPolarHBondContact O-CG2 3.44Å
23A64.6Low68.8Low73 Ų7399.9 Ų99.960%0.60359%0.585SS**  trans-78.3108.9-172.400000110.3G21 E25G21-A23 PolarHBondContact O-N 2.73Å; A23-E25 PolarHBondContact O-N 2.77Å
24V79.5Confident71.3Confident13 Ų1394.7 Ų94.78%0.07956%0.563CS.*  trans-72.3105.8170-178.30000108.8L22 V26 S48 V123 N125 T131 G133L22-V24 PolarHBondContact O-N 2.67Å; V24-V26 HydrophobicContact CG1-CG2 4.28Å; V24-S48 WeakPolarHBondContact CA-O 3.09Å; V24-V123 HydrophobicContact CG1-CB 3.78Å; V24-V123 HydrophobicContact CG1-CG1 3.71Å; V24-N125 HydrophobicContact CG2-CB 3.85Å; V24-T131 WeakPolarHBondContact CG2-O 3.45Å; V24-G133 VanDerWaalsContact O-CA 3.26Å; V24-G133 WeakPolarHBondContact O-CA 3.5Å
25E83.9Confident73.6Confident97 Ų9787.6 Ų87.645%0.45353%0.526SS..EExtended strand (participates in β ladder)trans-83.5132.8171.1-162.7-171.8-164.500108.9A23 K27 Y47 S48A23-E25 PolarHBondContact O-N 2.77Å; E25-K27 WeakPolarHBondContact OE1-CE 3.49Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.84Å; E25-K27 WeakPolarHBondContact OE2-CE 3.36Å; E25-K27 IonicContact OE2-NZ 2.86Å; E25-K27 PolarHBondContact OE2-NZ 2.86Å; E25-Y47 CarbonylContact O-C 3.57Å; E25-Y47 WeakPolarHBondContact O-CA 3.42Å; E25-S48 WeakPolarHBondContact CB-OG 3.36Å; E25-S48 PolarHBondContact O-N 3.03Å
26V90.4Very high76.1Confident23 Ų2387.4 Ų87.414%0.13952%0.515CS..EExtended strand (participates in β ladder)trans-121.2133171.5173.40000109.2V24 V28 C45 T46 V123V24-V26 HydrophobicContact CG1-CG2 4.28Å; V26-V28 HydrophobicContact CG1-CG1 4.48Å; V26-C45 HydrophobicContact CG1-CB 4.05Å; V26-T46 CarbonylContact C-O 3.58Å; V26-T46 WeakPolarHBondContact CA-O 3.3Å; V26-V123 HydrophobicContact CG2-CB 3.98Å; V26-V123 HydrophobicContact CG2-CG2 3.9Å
27K92.3Very high78.4Confident109 Ų10983.9 Ų83.947%0.47450%0.497SS..EExtended strand (participates in β ladder)trans-120.4142178.7-76.1163.5173.7146.90109.6E25 C45 T46E25-K27 WeakPolarHBondContact OE1-CE 3.49Å; E25-K27 IonicContact OE1-NZ 2.74Å; E25-K27 PolarHBondContact OE1-NZ 2.84Å; E25-K27 WeakPolarHBondContact OE2-CE 3.36Å; E25-K27 IonicContact OE2-NZ 2.86Å; E25-K27 PolarHBondContact OE2-NZ 2.86Å; K27-C45 CarbonylContact O-C 3.6Å; K27-C45 WeakPolarHBondContact O-CA 3.43Å; K27-T46 PolarHBondContact N-O 3.16Å; K27-T46 PolarHBondContact O-N 3.4Å
28V94.7Very high80.9Confident46 Ų4678.2 Ų78.228%0.27948%0.477SS..  trans-137.2158.4-177.9-70.80000109.8V26 T30 C45 I137V26-V28 HydrophobicContact CG1-CG1 4.48Å; V28-T30 PolarHBondContact O-N 2.8Å; V28-C45 HydrophobicContact CG1-CB 3.93Å; V28-I137 HydrophobicContact CB-CD1 4.32Å; V28-I137 HydrophobicContact CB-CG1 3.87Å; V28-I137 HydrophobicContact CG1-CD1 3.91Å; V28-I137 HydrophobicContact CG1-CG1 3.7Å
29P91.6Very high83.5Confident75 Ų7579.3 Ų79.349%0.48747%0.469SS..  trans-53.5135.6171.1-26.734.8000111.9E31 T44P29-E31 VanDerWaalsContact C-N 3.34Å; P29-T44 WeakPolarHBondContact CD-O 3.27Å
30T87.6Confident86Confident144 Ų14474.3 Ų74.388%0.88345%0.445SS*.SBendtrans-77.6-21175.947.40000112.9V28V28-T30 PolarHBondContact O-N 2.8Å
31E89.9Confident88.1Confident159 Ų15969.2 Ų69.274%0.74341%0.41SS*.SBendtrans-90.5140.9177.8-64.8-175.2177.300111.1P29 L33P29-E31 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 2.86Å
32P86.8Confident90.2Very high93 Ų9370.5 Ų70.560%0.60440%0.4SS*.PPolyproline II helixtrans-69.4126.2179.228.8-34.1000110.9
33L95.7Very high92.1Very high51 Ų5166.5 Ų66.527%0.26738%0.379SS..EExtended strand (participates in β ladder)trans-70.5136.6-179.1-175.162.6000110.6E31 A41 L43 I137 N138 L139 T140E31-L33 PolarHBondContact O-N 2.86Å; L33-A41 HydrophobicContact CD2-CB 4.49Å; L33-L43 HydrophobicContact CD2-CG 3.91Å; L33-I137 HydrophobicContact CB-CG2 4.41Å; L33-N138 PolarHBondContact N-O 2.86Å; L33-L139 HydrophobicContact CB-CD1 4.33Å; L33-L139 HydrophobicContact CD2-CD1 4.01Å; L33-L139 HydrophobicContact CG-CD1 3.93Å; L33-L139 CarbonylContact O-C 3.54Å; L33-L139 WeakPolarHBondContact O-CA 3.41Å; L33-T140 PolarHBondContact O-N 2.88Å
34S96.9Very high93.6Very high56 Ų5665.2 Ų65.239%0.39236%0.364SS..EExtended strand (participates in β ladder)trans-126.5141.2174.5-68.70000110.5T140S34-T140 WeakPolarHBondContact CA-O 3.42Å
35T98Very high94.2Very high10 Ų1064.6 Ų64.66%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-147.9127.6-178-57.70000110.7K39 T40 A41 V111 T140 V141 L142T35-K39 HydrophobicContact CG2-CB 3.94Å; T35-T40 WeakPolarHBondContact CG2-O 3.25Å; T35-A41 HydrophobicContact CG2-CB 4.09Å; T35-V111 HydrophobicContact CG2-CG1 4.49Å; T35-V111 HydrophobicContact CG2-CG2 3.76Å; T35-T140 PolarHBondContact N-O 2.86Å; T35-V141 CarbonylContact O-C 3.57Å; T35-V141 VanDerWaalsContact O-CA 3.29Å; T35-V141 WeakPolarHBondContact O-CA 3.44Å; T35-L142 PolarHBondContact O-N 2.83Å
36P98.1Very high94.7Very high50 Ų5062.8 Ų62.833%0.32536%0.356SS..EExtended strand (participates in β ladder)trans-63.7148.8178-21.533.1000113.9G38 K39 V111 M223P36-G38 PolarHBondContact O-N 3.35Å; P36-K39 HydrophobicContact CB-CG 3.94Å; P36-K39 HydrophobicContact CG-CG 4.41Å; P36-K39 VanDerWaalsContact O-CB 3.26Å; P36-K39 WeakPolarHBondContact O-CB 3.48Å; P36-K39 WeakPolarHBondContact O-CG 3.25Å; P36-K39 PolarHBondContact O-N 3.29Å; P36-K39 VanDerWaalsContact O-N 3.08Å; P36-V111 WeakPolarHBondContact O-CG2 3.28Å; P36-M223 HydrophobicContact CB-SD 4.07Å; P36-M223 HydrophobicContact CG-SD 3.99Å
37L97.3Very high94.6Very high81 Ų8162.5 Ų62.542%0.42435%0.352SS..THydrogen-bonded Turntrans-43.4133.7173.8-175.370000112.6K39 P113 V141 L142L37-K39 PolarHBondContact O-N 3.02Å; L37-P113 HydrophobicContact CD1-CG 4.05Å; L37-V141 HydrophobicContact CD1-CG1 4.49Å; L37-L142 PolarHBondContact N-O 2.96Å
38G97.1Very high94.2Very high40 Ų4059.8 Ų59.841%0.41235%0.347SS..THydrogen-bonded Turntrans68.66.6178.600000115.1P36 V111P36-G38 PolarHBondContact O-N 3.35Å; G38-V111 PolarHBondContact N-O 3.23Å
39K98.1Very high93.4Very high131 Ų13159 Ų5957%0.5734%0.342SS*.SBendtrans-90.1-175.5170.1-54.9-55.2-179.8-172.10110.7T35 P36 L37 D110 V111T35-K39 HydrophobicContact CG2-CB 3.94Å; P36-K39 HydrophobicContact CB-CG 3.94Å; P36-K39 HydrophobicContact CG-CG 4.41Å; P36-K39 VanDerWaalsContact O-CB 3.26Å; P36-K39 WeakPolarHBondContact O-CB 3.48Å; P36-K39 WeakPolarHBondContact O-CG 3.25Å; P36-K39 PolarHBondContact O-N 3.29Å; P36-K39 VanDerWaalsContact O-N 3.08Å; L37-K39 PolarHBondContact O-N 3.02Å; K39-D110 WeakPolarHBondContact O-CA 3.28Å; K39-D110 PolarHBondContact O-N 3Å; K39-V111 PolarHBondContact O-N 3.18Å
40T98.2Very high92.4Very high58 Ų5858.5 Ų58.536%0.35634%0.341SS..  trans-103.9131.6174.1-59.90000108.9T35 E42 K107 L108 T109T35-T40 WeakPolarHBondContact CG2-O 3.25Å; T40-E42 HydrophobicContact CG2-CG 4.17Å; T40-K107 HydrophobicContact CG2-CD 4.29Å; T40-K107 HydrophobicContact CG2-CG 3.49Å; T40-K107 VanDerWaalsContact CG2-CG 3.49Å; T40-L108 CarbonylContact C-O 3.59Å; T40-L108 VanDerWaalsContact CA-O 3.31Å; T40-L108 WeakPolarHBondContact CA-O 3.43Å; T40-L108 WeakPolarHBondContact CG2-O 3.43Å; T40-T109 HydrophobicContact CG2-CG2 4.14Å
41A98Very high91.5Very high1 Ų154.1 Ų54.11%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-94.7138.8167.700000109.4L33 T35 L43 L108 V111 L139L33-A41 HydrophobicContact CD2-CB 4.49Å; T35-A41 HydrophobicContact CG2-CB 4.09Å; A41-L43 HydrophobicContact CB-CD1 3.91Å; A41-L108 PolarHBondContact N-O 3.17Å; A41-L108 PolarHBondContact O-N 3.07Å; A41-V111 HydrophobicContact CB-CG1 3.86Å; A41-L139 HydrophobicContact CB-CD1 3.97Å; A41-L139 HydrophobicContact CB-CD2 3.86Å
42E97.6Very high90.5Very high85 Ų8548.1 Ų48.140%0.39729%0.294SS..EExtended strand (participates in β ladder)trans-121.8101.3177.6-64.5-169.1164.700108.7T40 T105 L106 K107T40-E42 HydrophobicContact CG2-CG 4.17Å; E42-T105 HydrophobicContact CB-CG2 3.94Å; E42-L106 WeakPolarHBondContact CA-O 3.39Å; E42-K107 HydrophobicContact CG-CG 4.27Å; E42-K107 WeakPolarHBondContact OE1-CE 3.23Å; E42-K107 IonicContact OE1-NZ 3.66Å
43L97.4Very high89.7Confident1 Ų149.8 Ų49.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-96.5106.7-174.8-58.785.3000108.1L33 A41 W59 T105 L106 L108 Y119 I137 L139L33-L43 HydrophobicContact CD2-CG 3.91Å; A41-L43 HydrophobicContact CB-CD1 3.91Å; L43-W59 HydrophobicContact CB-CH2 3.71Å; L43-W59 HydrophobicContact CB-CZ3 3.86Å; L43-W59 HydrophobicContact CD2-CZ3 4.35Å; L43-W59 WeakPolarHBondContact O-CH2 3.49Å; L43-W59 VanDerWaalsContact O-CZ2 3.31Å; L43-W59 WeakPolarHBondContact O-CZ2 3.35Å; L43-T105 CarbonylContact O-C 3.52Å; L43-T105 WeakPolarHBondContact O-CA 3.49Å; L43-L106 HydrophobicContact CB-CB 4.32Å; L43-L106 HydrophobicContact CD1-CD2 4.35Å; L43-L106 PolarHBondContact N-O 2.91Å; L43-L106 PolarHBondContact O-N 2.82Å; L43-L108 HydrophobicContact CD1-CB 4.43Å; L43-Y119 HydrophobicContact CD2-CD1 3.84Å; L43-Y119 HydrophobicContact CD2-CD2 3.57Å; L43-Y119 HydrophobicContact CD2-CE1 4.47Å; L43-Y119 HydrophobicContact CD2-CE2 4.27Å; L43-Y119 HydrophobicContact CD2-CG 3.35Å; L43-I137 HydrophobicContact CB-CD1 4.07Å; L43-I137 HydrophobicContact CD2-CB 4.4Å; L43-I137 HydrophobicContact CD2-CG2 4.02Å; L43-I137 HydrophobicContact CG-CG2 4.43Å; L43-L139 HydrophobicContact CD2-CB 4.47Å
44T95.6Very high88.8Confident46 Ų4651.3 Ų51.328%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-100.4127.4-177-59.30000111.1P29 T46 V103 T105 I137P29-T44 WeakPolarHBondContact CD-O 3.27Å; T44-T46 HydrophobicContact CG2-CG2 4.37Å; T44-V103 HydrophobicContact CG2-CG1 4.15Å; T44-T105 WeakPolarHBondContact CG2-OG1 3.49Å; T44-T105 VanDerWaalsContact OG1-CG2 3.32Å; T44-T105 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T105 PolarHBondContact OG1-OG1 2.88Å; T44-I137 WeakPolarHBondContact O-CD1 3.13Å
45C93.8Very high88.2Confident0 Ų049 Ų490%030%0.296CS..EExtended strand (participates in β ladder)trans-112.9142.5157.853.10000109.3V26 K27 V28 W59 A104 C121V26-C45 HydrophobicContact CG1-CB 4.05Å; K27-C45 CarbonylContact O-C 3.6Å; K27-C45 WeakPolarHBondContact O-CA 3.43Å; V28-C45 HydrophobicContact CG1-CB 3.93Å; C45-W59 HydrophobicContact CB-CZ2 4.47Å; C45-W59 WeakPolarHBondContact SG-CZ2 3.43Å; C45-A104 PolarHBondContact N-O 2.97Å; C45-A104 PolarHBondContact O-N 2.86Å; C45-A104 PolarHBondContact SG-O 2.87Å; C45-A104 VanDerWaalsContact SG-O 3.38Å; C45-C121 HydrophobicContact CB-CB 3.59Å; C45-C121 WeakPolarHBondContact CB-SG 3.43Å; C45-C121 WeakPolarHBondContact SG-CB 3.32Å; C45-C121 CovalentContact SG-SG 2.03Å; C45-C121 PolarHBondContact SG-SG 2.83Å
46T92.9Very high87.8Confident59 Ų5948.7 Ų48.736%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-109.1150167.8600000109.2V26 K27 T44 G102 V103V26-T46 CarbonylContact C-O 3.58Å; V26-T46 WeakPolarHBondContact CA-O 3.3Å; K27-T46 PolarHBondContact N-O 3.16Å; K27-T46 PolarHBondContact O-N 3.4Å; T44-T46 HydrophobicContact CG2-CG2 4.37Å; T46-G102 CarbonylContact C-O 3.55Å; T46-G102 WeakPolarHBondContact CA-O 3.46Å; T46-G102 VanDerWaalsContact CB-O 3.29Å; T46-G102 WeakPolarHBondContact CB-O 2.92Å; T46-V103 HydrophobicContact CG2-CG2 4.22Å
47Y89.4Confident87.5Confident18 Ų1846.3 Ų46.37%0.07128%0.279CS..EExtended strand (participates in β ladder)trans-145.9161.3-172.360.5-84.6000112.5E25 T49 F55 T100 G102 A104 V123E25-Y47 CarbonylContact O-C 3.57Å; E25-Y47 WeakPolarHBondContact O-CA 3.42Å; Y47-T49 HydrophobicContact CD2-CG2 4.17Å; Y47-T49 HydrophobicContact CE2-CG2 3.95Å; Y47-F55 HydrophobicContact CE2-CD2 4.32Å; Y47-F55 HydrophobicContact CE2-CE2 4.3Å; Y47-F55 HydrophobicContact CE2-CG 4.45Å; Y47-F55 HydrophobicContact CE2-CZ 4.41Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.03Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.23Å; Y47-T100 PolarHBondContact OH-O 2.02Å; Y47-T100 VanDerWaalsContact OH-O 3.08Å; Y47-G102 VanDerWaalsContact CZ-N 3.26Å; Y47-G102 PolarHBondContact N-O 2.92Å; Y47-G102 WeakPolarHBondContact O-CA 3.43Å; Y47-G102 PolarHBondContact OH-N 3.02Å; Y47-A104 HydrophobicContact CD1-CB 4.43Å; Y47-A104 HydrophobicContact CE1-CB 3.91Å; Y47-V123 HydrophobicContact CD1-CG2 4.12Å; Y47-V123 HydrophobicContact CD2-CG1 3.87Å; Y47-V123 HydrophobicContact CD2-CG2 4.37Å; Y47-V123 HydrophobicContact CE2-CG1 4.33Å; Y47-V123 HydrophobicContact CG-CG1 4.25Å; Y47-V123 HydrophobicContact CG-CG2 3.94Å
48S84.5Confident87.3Confident52 Ų5244.7 Ų44.736%0.36427%0.269SS..EExtended strand (participates in β ladder)trans-120.4132.1167.858.60000109.6V24 E25V24-S48 WeakPolarHBondContact CA-O 3.09Å; E25-S48 WeakPolarHBondContact CB-OG 3.36Å; E25-S48 PolarHBondContact O-N 3.03Å
49T76.2Confident87.3Confident28 Ų2842.8 Ų42.817%0.17225%0.25CC..  trans-124.5136.2179.6160.40000109Y47 V51 G52 V101Y47-T49 HydrophobicContact CD2-CG2 4.17Å; Y47-T49 HydrophobicContact CE2-CG2 3.95Å; T49-V51 WeakPolarHBondContact OG1-CG2 3.46Å; T49-V51 PolarHBondContact OG1-N 2.84Å; T49-G52 WeakPolarHBondContact CG2-O 3.34Å; T49-G52 PolarHBondContact OG1-O 2.92Å; T49-V101 HydrophobicContact CG2-CG1 4.25Å
50S71.7Confident87.2Confident65 Ų6536.7 Ų36.746%0.45522%0.223SC..SBendtrans-85.3-9.5178.844.60000113.7L22L22-S50 WeakPolarHBondContact CD2-OG 3.31Å
51V67.5Low87.2Confident52 Ų5234.9 Ų34.932%0.31521%0.211SC..SBendtrans-110.28.3-175.2-59.20000114.3T49 D53 N125T49-V51 WeakPolarHBondContact OG1-CG2 3.46Å; T49-V51 PolarHBondContact OG1-N 2.84Å; V51-D53 PolarHBondContact O-N 3.07Å; V51-N125 WeakPolarHBondContact CG1-OD1 3.4Å; V51-N125 WeakPolarHBondContact CG2-OD1 3.46Å
52G69.2Low87.2Confident33 Ų3335 Ų3534%0.3421%0.211SC..THydrogen-bonded Turntrans64.1-128.1-173.200000111.2T49 S54 F55T49-G52 WeakPolarHBondContact CG2-O 3.34Å; T49-G52 PolarHBondContact OG1-O 2.92Å; G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.48Å; G52-F55 WeakPolarHBondContact O-CD1 3.46Å
53D70.6Confident87.1Confident128 Ų12836.9 Ų36.968%0.68422%0.22SC*.THydrogen-bonded Turntrans-73.6-9.7-171.7-56.5-40.7000114.7V51 F55 V101V51-D53 PolarHBondContact O-N 3.07Å; D53-F55 WeakPolarHBondContact O-CD1 3.48Å; D53-F55 PolarHBondContact O-N 2.83Å; D53-V101 VanDerWaalsContact OD1-CG2 3.31Å; D53-V101 WeakPolarHBondContact OD1-CG2 3.19Å
54S77.1Confident87Confident83 Ų8341 Ų4158%0.5825%0.247SC*.  trans-79.629-173.2-52.90000114.8G52 P126G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.48Å; S54-P126 WeakPolarHBondContact O-CD 3.48Å
55F84.6Confident87Confident9 Ų942.9 Ų42.94%0.03928%0.276CS..  trans-92.6164.9-175.965.7-84.8000113.2Y47 G52 D53 L57 F77 P99Y47-F55 HydrophobicContact CE2-CD2 4.32Å; Y47-F55 HydrophobicContact CE2-CE2 4.3Å; Y47-F55 HydrophobicContact CE2-CG 4.45Å; Y47-F55 HydrophobicContact CE2-CZ 4.41Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.03Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.23Å; G52-F55 WeakPolarHBondContact O-CD1 3.46Å; D53-F55 WeakPolarHBondContact O-CD1 3.48Å; D53-F55 PolarHBondContact O-N 2.83Å; F55-L57 HydrophobicContact CD2-CB 4.46Å; F55-L57 HydrophobicContact CE2-CB 4.37Å; F55-F77 AromaticContact CE2-CD1 4Å; F55-F77 HydrophobicContact CE2-CD1 4Å; F55-F77 AromaticContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CZ-CD1 4.49Å; F55-F77 AromaticContact CZ-CE1 3.96Å; F55-F77 HydrophobicContact CZ-CE1 3.96Å; F55-P99 HydrophobicContact CE2-CG 3.97Å; F55-P99 HydrophobicContact CZ-CG 3.94Å
56A88.9Confident87.1Confident3 Ų347.4 Ų47.43%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-120.7141.6166.400000110.5Y76 F77 N124 P126A56-Y76 HydrophobicContact CB-CE2 4.32Å; A56-F77 WeakPolarHBondContact CA-O 3.1Å; A56-N124 HydrophobicContact CB-CB 4.44Å; A56-N124 PolarHBondContact N-O 2.93Å; A56-N124 PolarHBondContact O-N 3.27Å; A56-P126 HydrophobicContact CB-CG 4.17Å
57L91.8Very high87.2Confident0 Ų047.7 Ų47.70%030%0.298CS..EExtended strand (participates in β ladder)trans-124.5127.2-178.7165.473.5000109.4F55 Y76 F77 L94 P99 A104 Q122 V123F55-L57 HydrophobicContact CD2-CB 4.46Å; F55-L57 HydrophobicContact CE2-CB 4.37Å; L57-Y76 CarbonylContact O-C 3.59Å; L57-Y76 WeakPolarHBondContact O-CA 3.15Å; L57-Y76 WeakPolarHBondContact O-CD2 3.38Å; L57-F77 HydrophobicContact CB-CB 4.25Å; L57-F77 HydrophobicContact CB-CD1 4.5Å; L57-F77 PolarHBondContact N-O 2.84Å; L57-F77 PolarHBondContact O-N 3.2Å; L57-L94 HydrophobicContact CD2-CD1 4.01Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; L57-P99 HydrophobicContact CD2-CB 4.44Å; L57-P99 HydrophobicContact CD2-CG 4.13Å; L57-A104 HydrophobicContact CD1-CB 4.11Å; L57-A104 HydrophobicContact CD2-CB 3.62Å; L57-Q122 WeakPolarHBondContact CA-O 3.42Å; L57-V123 HydrophobicContact CD1-CG2 3.9Å
58E93.9Very high87.4Confident47 Ų4750.8 Ų50.822%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-116.5134.3169.6-167.6-172.8125.600110.4S60 P73 Y76 Q122E58-S60 WeakPolarHBondContact OE1-CB 3.33Å; E58-S60 PolarHBondContact OE1-OG 3.07Å; E58-P73 HydrophobicContact CG-CB 4.37Å; E58-Y76 HydrophobicContact CB-CD2 4.05Å; E58-Y76 HydrophobicContact CG-CD2 4.31Å; E58-Q122 HydrophobicContact CB-CB 4.44Å; E58-Q122 PolarHBondContact N-O 2.86Å; E58-Q122 PolarHBondContact O-N 3.2Å
59W96.6Very high87.9Confident0 Ų053.6 Ų53.60%034%0.335CS..EExtended strand (participates in β ladder)trans-107.5123.5161.6-78.488.3000110L43 C45 I74 L75 L106 L120 C121 I137L43-W59 HydrophobicContact CB-CH2 3.71Å; L43-W59 HydrophobicContact CB-CZ3 3.86Å; L43-W59 HydrophobicContact CD2-CZ3 4.35Å; L43-W59 WeakPolarHBondContact O-CH2 3.49Å; L43-W59 VanDerWaalsContact O-CZ2 3.31Å; L43-W59 WeakPolarHBondContact O-CZ2 3.35Å; C45-W59 HydrophobicContact CB-CZ2 4.47Å; C45-W59 WeakPolarHBondContact SG-CZ2 3.43Å; W59-I74 HydrophobicContact CB-CG1 4.17Å; W59-I74 WeakPolarHBondContact O-CG1 3.36Å; W59-I74 PolarHBondContact O-N 2.84Å; W59-L75 HydrophobicContact CB-CB 4.28Å; W59-L75 HydrophobicContact CB-CD2 4.27Å; W59-L75 HydrophobicContact CG-CD2 4.34Å; W59-L75 PolarHBondContact N-O 2.96Å; W59-L75 PolarHBondContact O-N 2.85Å; W59-L106 HydrophobicContact CB-CD1 4.43Å; W59-L106 HydrophobicContact CB-CD2 4.19Å; W59-L106 HydrophobicContact CD2-CB 3.63Å; W59-L106 HydrophobicContact CD2-CD2 3.74Å; W59-L106 HydrophobicContact CD2-CG 4.18Å; W59-L106 VanDerWaalsContact CE2-CB 3.5Å; W59-L106 HydrophobicContact CE3-CB 3.98Å; W59-L106 HydrophobicContact CE3-CD2 3.54Å; W59-L106 HydrophobicContact CE3-CG 4.36Å; W59-L106 HydrophobicContact CG-CB 4.12Å; W59-L106 HydrophobicContact CG-CD1 4.27Å; W59-L106 HydrophobicContact CG-CD2 4.05Å; W59-L106 HydrophobicContact CG-CG 4.38Å; W59-L106 HydrophobicContact CH2-CB 3.99Å; W59-L106 HydrophobicContact CZ2-CB 3.67Å; W59-L106 HydrophobicContact CZ3-CB 4.15Å; W59-L106 HydrophobicContact CZ3-CD2 4.1Å; W59-L120 VanDerWaalsContact CA-O 3.3Å; W59-L120 WeakPolarHBondContact CA-O 3.37Å; W59-C121 HydrophobicContact CD2-CB 4.14Å; W59-C121 HydrophobicContact CE3-CB 4.09Å; W59-C121 HydrophobicContact CH2-CB 3.73Å; W59-C121 HydrophobicContact CZ2-CB 3.73Å; W59-C121 HydrophobicContact CZ3-CB 3.89Å; W59-I137 HydrophobicContact CH2-CD1 3.8Å; W59-I137 HydrophobicContact CZ3-CD1 4.14Å
60S96.6Very high88.8Confident2 Ų256 Ų561%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-126.5154.8-176.5-114.60000110.7E58 H72 P73 Y119 L120E58-S60 WeakPolarHBondContact OE1-CB 3.33Å; E58-S60 PolarHBondContact OE1-OG 3.07Å; S60-H72 CarbonylContact C-O 3.56Å; S60-H72 WeakPolarHBondContact CA-O 3.27Å; S60-H72 VanDerWaalsContact OG-C 3.24Å; S60-H72 PolarHBondContact OG-O 2.85Å; S60-P73 VanDerWaalsContact OG-CA 3.28Å; S60-P73 WeakPolarHBondContact OG-CA 3.18Å; S60-Y119 CarbonylContact O-C 3.59Å; S60-Y119 WeakPolarHBondContact O-CA 3.48Å; S60-L120 PolarHBondContact N-O 3.3Å; S60-L120 PolarHBondContact O-N 2.75Å
61F97.5Very high90Very high20 Ų2055 Ų559%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-128.2138.6-174.8173-104.2000112.7Q63 S71 H72 I74 Y119F61-Q63 HydrophobicContact CE1-CG 3.93Å; F61-Q63 HydrophobicContact CZ-CG 4.43Å; F61-S71 WeakPolarHBondContact O-CA 3.4Å; F61-H72 PolarHBondContact N-O 3.44Å; F61-H72 PolarHBondContact O-N 2.82Å; F61-I74 HydrophobicContact CB-CD1 4.34Å; F61-I74 HydrophobicContact CB-CG2 3.98Å; F61-Y119 HydrophobicContact CB-CE1 4.46Å; F61-Y119 HydrophobicContact CD2-CD1 4.12Å; F61-Y119 HydrophobicContact CD2-CD2 4.03Å; F61-Y119 AromaticContact CD2-CE1 3.69Å; F61-Y119 HydrophobicContact CD2-CE1 3.69Å; F61-Y119 AromaticContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CG 4.27Å; F61-Y119 AromaticContact CD2-CZ 3.36Å; F61-Y119 HydrophobicContact CE2-CD2 4.39Å; F61-Y119 HydrophobicContact CE2-CE1 4.39Å; F61-Y119 AromaticContact CE2-CE2 3.63Å; F61-Y119 HydrophobicContact CE2-CE2 3.63Å; F61-Y119 AromaticContact CE2-CZ 3.62Å; F61-Y119 HydrophobicContact CG-CE1 4.42Å
62V97.3Very high91.3Very high4 Ų458.5 Ų58.52%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-126.2133177.2179.80000109.5K66 G117 T118 L120V62-K66 HydrophobicContact CG1-CB 3.91Å; V62-K66 WeakPolarHBondContact CG1-O 3.49Å; V62-G117 WeakPolarHBondContact O-CA 3.46Å; V62-T118 PolarHBondContact N-O 2.95Å; V62-T118 PolarHBondContact O-N 2.93Å; V62-L120 HydrophobicContact CG2-CD1 3.64Å
63Q95.9Very high92.5Very high124 Ų12460 Ų6058%0.57935%0.354SS*.  trans-72150.1176.6-70.6-176.6-6.900112F61 G65 K66F61-Q63 HydrophobicContact CE1-CG 3.93Å; F61-Q63 HydrophobicContact CZ-CG 4.43Å; Q63-G65 PolarHBondContact O-N 2.86Å; Q63-K66 HydrophobicContact CB-CG 4.1Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 2.93Å
64P95.3Very high93.8Very high88 Ų8854.2 Ų54.257%0.57132%0.322SS*.THydrogen-bonded Turntrans-52.8128.1176.7-25.833.8000112.4K66 T116P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.85Å; P64-T116 VanDerWaalsContact CD-O 3.26Å; P64-T116 WeakPolarHBondContact CD-O 3.43Å; P64-T116 HydrophobicContact CG-CG2 4.14Å; P64-T116 WeakPolarHBondContact CG-O 3.37Å
65G94.9Very high94.7Very high86 Ų8650.3 Ų50.389%0.88730%0.295SS*.THydrogen-bonded Turntrans79.63.4-179.200000115.6Q63Q63-G65 PolarHBondContact O-N 2.86Å
66K96.4Very high95.1Very high94 Ų9453.8 Ų53.841%0.40931%0.308SS..SBendtrans-92.3150.4168.6-67.1-43.7-155.194.80112.1V62 Q63 P64 E70V62-K66 HydrophobicContact CG1-CB 3.91Å; V62-K66 WeakPolarHBondContact CG1-O 3.49Å; Q63-K66 HydrophobicContact CB-CG 4.1Å; Q63-K66 WeakPolarHBondContact O-CB 3.43Å; Q63-K66 PolarHBondContact O-N 2.93Å; P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.85Å; K66-E70 HydrophobicContact CB-CB 4.31Å; K66-E70 IonicContact NZ-OE1 2.81Å; K66-E70 PolarHBondContact NZ-OE1 2.92Å; K66-E70 IonicContact NZ-OE2 2.6Å; K66-E70 PolarHBondContact NZ-OE2 3.44Å
67P96.1Very high95.3Very high66 Ų6654 Ų5443%0.42931%0.309SS..  trans-70156.2174.831.9-36000110.8S69 E70P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.13Å; P67-E70 WeakPolarHBondContact CD-OE1 3.32Å; P67-E70 HydrophobicContact CG-CB 4.48Å; P67-E70 HydrophobicContact CG-CG 3.99Å; P67-E70 PolarHBondContact O-N 3.5Å
68I93.7Very high95.1Very high83 Ų8355 Ų5543%0.42632%0.315SS..G310 helixtrans-59.7-27.8-179.3-59.2178.2000111.7E70 S71 L120 L136I68-E70 PolarHBondContact O-N 3.07Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 3.3Å; I68-S71 PolarHBondContact O-OG 3.41Å; I68-S71 VanDerWaalsContact O-OG 3.12Å; I68-L120 HydrophobicContact CG2-CD2 3.89Å; I68-L120 HydrophobicContact CG2-CG 4.46Å; I68-L136 HydrophobicContact CD1-CD1 3.78Å; I68-L136 HydrophobicContact CD1-CD2 4.41Å
69S93.8Very high94.7Very high110 Ų11060 Ų6077%0.76934%0.343SS*.G310 helixtrans-67.7-9.1174.157.80000115.3P67 S71P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.13Å; S69-S71 VanDerWaalsContact C-N 3.31Å
70E95.9Very high94.1Very high79 Ų7962.7 Ų62.737%0.36937%0.371SS..G310 helixtrans-94.721168.2-70.8-170.2-127.700112.1K66 P67 I68 H72K66-E70 HydrophobicContact CB-CB 4.31Å; K66-E70 IonicContact NZ-OE1 2.81Å; K66-E70 PolarHBondContact NZ-OE1 2.92Å; K66-E70 IonicContact NZ-OE2 2.6Å; K66-E70 PolarHBondContact NZ-OE2 3.44Å; P67-E70 WeakPolarHBondContact CD-OE1 3.32Å; P67-E70 HydrophobicContact CG-CB 4.48Å; P67-E70 HydrophobicContact CG-CG 3.99Å; P67-E70 PolarHBondContact O-N 3.5Å; I68-E70 PolarHBondContact O-N 3.07Å; E70-H72 PolarHBondContact O-CE1 2.8Å; E70-H72 VanDerWaalsContact O-CE1 3.31Å; E70-H72 PolarHBondContact O-ND1 2.9Å
71S95.4Very high93.8Very high43 Ų4367.9 Ų67.930%0.30140%0.395SS..  trans-66138.3174.358.30000112.4F61 I68 S69F61-S71 WeakPolarHBondContact O-CA 3.4Å; I68-S71 WeakPolarHBondContact O-CB 3.44Å; I68-S71 PolarHBondContact O-N 3.3Å; I68-S71 PolarHBondContact O-OG 3.41Å; I68-S71 VanDerWaalsContact O-OG 3.12Å; S69-S71 VanDerWaalsContact C-N 3.31Å
72H95Very high93.6Very high126 Ų12668.5 Ų68.558%0.58340%0.399SS*.EExtended strand (participates in β ladder)trans-121131.6175.3-65.566000110.5S60 F61 E70 I74S60-H72 CarbonylContact C-O 3.56Å; S60-H72 WeakPolarHBondContact CA-O 3.27Å; S60-H72 VanDerWaalsContact OG-C 3.24Å; S60-H72 PolarHBondContact OG-O 2.85Å; F61-H72 PolarHBondContact N-O 3.44Å; F61-H72 PolarHBondContact O-N 2.82Å; E70-H72 PolarHBondContact O-CE1 2.8Å; E70-H72 VanDerWaalsContact O-CE1 3.31Å; E70-H72 PolarHBondContact O-ND1 2.9Å; H72-I74 PolarHBondContact O-N 2.94Å
73P95.5Very high93.4Very high66 Ų6672.5 Ų72.543%0.42941%0.414SS..EExtended strand (participates in β ladder)trans-65.6135.4178.926-34000111E58 S60 T85E58-P73 HydrophobicContact CG-CB 4.37Å; S60-P73 VanDerWaalsContact OG-CA 3.28Å; S60-P73 WeakPolarHBondContact OG-CA 3.18Å; P73-T85 VanDerWaalsContact C-OG1 3.31Å; P73-T85 PolarHBondContact O-OG1 2.93Å; P73-T85 VanDerWaalsContact O-OG1 3.11Å
74I96.9Very high93.3Very high6 Ų669.4 Ų69.43%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-117.1-23.1176.956.5168.5000112.6W59 F61 H72 T85 K88 V92 L106 Y119W59-I74 HydrophobicContact CB-CG1 4.17Å; W59-I74 WeakPolarHBondContact O-CG1 3.36Å; W59-I74 PolarHBondContact O-N 2.84Å; F61-I74 HydrophobicContact CB-CD1 4.34Å; F61-I74 HydrophobicContact CB-CG2 3.98Å; H72-I74 PolarHBondContact O-N 2.94Å; I74-T85 WeakPolarHBondContact CA-OG1 3.49Å; I74-T85 PolarHBondContact N-OG1 3.37Å; I74-T85 PolarHBondContact O-N 3.5Å; I74-T85 PolarHBondContact O-OG1 3.44Å; I74-K88 HydrophobicContact CB-CB 4.39Å; I74-K88 HydrophobicContact CD1-CD 4.32Å; I74-K88 HydrophobicContact CG2-CB 4.22Å; I74-K88 HydrophobicContact CG2-CD 4.15Å; I74-K88 HydrophobicContact CG2-CG 4.17Å; I74-V92 HydrophobicContact CD1-CG1 4.26Å; I74-V92 WeakPolarHBondContact O-CG2 2.99Å; I74-L106 HydrophobicContact CD1-CD2 3.86Å; I74-Y119 HydrophobicContact CD1-CD1 3.76Å; I74-Y119 HydrophobicContact CD1-CE1 3.69Å
75L96.3Very high93.3Very high0 Ų067.5 Ų67.50%039%0.392CS..EExtended strand (participates in β ladder)trans-157.8135.5176.2170.9150.5000109.5W59 L82 T85 V92 L94 L106W59-L75 HydrophobicContact CB-CB 4.28Å; W59-L75 HydrophobicContact CB-CD2 4.27Å; W59-L75 HydrophobicContact CG-CD2 4.34Å; W59-L75 PolarHBondContact N-O 2.96Å; W59-L75 PolarHBondContact O-N 2.85Å; L75-L82 HydrophobicContact CD1-CD1 3.95Å; L75-L82 HydrophobicContact CD1-CD2 4.27Å; L75-L82 HydrophobicContact CD1-CG 4.35Å; L75-L82 HydrophobicContact CD2-CD1 3.81Å; L75-L82 HydrophobicContact CG-CD1 3.79Å; L75-L82 HydrophobicContact CG-CG 4.47Å; L75-T85 PolarHBondContact N-OG1 3.41Å; L75-V92 HydrophobicContact CB-CG2 4.16Å; L75-V92 HydrophobicContact CD1-CB 4.19Å; L75-V92 HydrophobicContact CD1-CG2 4.17Å; L75-L94 HydrophobicContact CD1-CD2 4.39Å; L75-L94 HydrophobicContact CD1-CG 4.26Å; L75-L94 HydrophobicContact CD2-CD1 4.43Å; L75-L94 HydrophobicContact CD2-CD2 3.81Å; L75-L94 HydrophobicContact CD2-CG 4.08Å; L75-L106 HydrophobicContact CB-CD1 4.4Å; L75-L106 HydrophobicContact CD1-CD1 3.94Å
76Y94.1Very high93Very high82 Ų8266 Ų6632%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-130.1142.8177.5-179.1-117000110.4A56 L57 E58 T78 Y83A56-Y76 HydrophobicContact CB-CE2 4.32Å; L57-Y76 CarbonylContact O-C 3.59Å; L57-Y76 WeakPolarHBondContact O-CA 3.15Å; L57-Y76 WeakPolarHBondContact O-CD2 3.38Å; E58-Y76 HydrophobicContact CB-CD2 4.05Å; E58-Y76 HydrophobicContact CG-CD2 4.31Å; Y76-T78 HydrophobicContact CD1-CG2 4.14Å; Y76-T78 HydrophobicContact CE1-CG2 3.37Å; Y76-Y83 HydrophobicContact CD1-CD2 4.1Å; Y76-Y83 PolarHBondContact N-O 3.34Å; Y76-Y83 PolarHBondContact O-N 3.21Å
77F91.8Very high92.7Very high8 Ų867.1 Ų67.14%0.03540%0.396CS..EExtended strand (participates in β ladder)trans-131.5128176.3172.6-91.4000109.9F55 A56 L57 G80 Q81 L82 P98 P99F55-F77 AromaticContact CE2-CD1 4Å; F55-F77 HydrophobicContact CE2-CD1 4Å; F55-F77 AromaticContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CE2-CE1 3.91Å; F55-F77 HydrophobicContact CZ-CD1 4.49Å; F55-F77 AromaticContact CZ-CE1 3.96Å; F55-F77 HydrophobicContact CZ-CE1 3.96Å; A56-F77 WeakPolarHBondContact CA-O 3.1Å; L57-F77 HydrophobicContact CB-CB 4.25Å; L57-F77 HydrophobicContact CB-CD1 4.5Å; L57-F77 PolarHBondContact N-O 2.84Å; L57-F77 PolarHBondContact O-N 3.2Å; F77-G80 VanDerWaalsContact CE2-C 3.49Å; F77-Q81 WeakPolarHBondContact CA-O 3.48Å; F77-Q81 WeakPolarHBondContact CD2-O 3.11Å; F77-L82 HydrophobicContact CB-CD1 3.93Å; F77-L82 HydrophobicContact CD2-CB 4.49Å; F77-L82 HydrophobicContact CD2-CD1 4.28Å; F77-P98 HydrophobicContact CE2-CB 4.02Å; F77-P98 HydrophobicContact CZ-CB 3.82Å; F77-P99 HydrophobicContact CD1-CG 3.82Å; F77-P99 HydrophobicContact CD2-CG 4.42Å; F77-P99 HydrophobicContact CE1-CG 3.86Å; F77-P99 HydrophobicContact CE2-CG 4.44Å; F77-P99 HydrophobicContact CG-CG 4.12Å; F77-P99 HydrophobicContact CZ-CG 4.18Å
78T88.4Confident92.6Very high20 Ų2064.4 Ų64.412%0.12338%0.377CS..EExtended strand (participates in β ladder)trans-157.3155176.4-169.50000109.8Y76 G80 Q81 Y83Y76-T78 HydrophobicContact CD1-CG2 4.14Å; Y76-T78 HydrophobicContact CE1-CG2 3.37Å; T78-G80 PolarHBondContact O-N 3.27Å; T78-Q81 PolarHBondContact N-O 3.31Å; T78-Q81 VanDerWaalsContact N-O 3.1Å; T78-Q81 PolarHBondContact O-N 2.95Å; T78-Q81 VanDerWaalsContact O-O 3.13Å; T78-Y83 HydrophobicContact CG2-CE2 3.94Å
79N85.2Confident92.5Very high152 Ų15262.5 Ų62.581%0.81337%0.371SS*.THydrogen-bonded Turntrans51.432.1176-56.7-37.2000114.3Q81N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 2.96Å
80G84.6Confident92.6Very high57 Ų5766.8 Ų66.859%0.58838%0.376SS*.THydrogen-bonded Turntrans77.4-0.7-176.600000115.8F77 T78F77-G80 VanDerWaalsContact CE2-C 3.49Å; T78-G80 PolarHBondContact O-N 3.27Å
81Q89.4Confident92.6Very high111 Ų11165.2 Ų65.252%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-112.7144.3-177.6-174.4171.9-300112.7F77 T78 N79 Y83F77-Q81 WeakPolarHBondContact CA-O 3.48Å; F77-Q81 WeakPolarHBondContact CD2-O 3.11Å; T78-Q81 PolarHBondContact N-O 3.31Å; T78-Q81 VanDerWaalsContact N-O 3.1Å; T78-Q81 PolarHBondContact O-N 2.95Å; T78-Q81 VanDerWaalsContact O-O 3.13Å; N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 2.96Å; Q81-Y83 HydrophobicContact CB-CE2 3.88Å; Q81-Y83 VanDerWaalsContact CD-CZ 3.46Å; Q81-Y83 HydrophobicContact CG-CE1 3.91Å; Q81-Y83 HydrophobicContact CG-CE2 3.9Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.15Å; Q81-Y83 PolarHBondContact OE1-OH 2.93Å
82L92.6Very high92.6Very high34 Ų3463.7 Ų63.718%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-103.2136.5178.9-167.666.8000111.7L75 F77 L94L75-L82 HydrophobicContact CD1-CD1 3.95Å; L75-L82 HydrophobicContact CD1-CD2 4.27Å; L75-L82 HydrophobicContact CD1-CG 4.35Å; L75-L82 HydrophobicContact CD2-CD1 3.81Å; L75-L82 HydrophobicContact CG-CD1 3.79Å; L75-L82 HydrophobicContact CG-CG 4.47Å; F77-L82 HydrophobicContact CB-CD1 3.93Å; F77-L82 HydrophobicContact CD2-CB 4.49Å; F77-L82 HydrophobicContact CD2-CD1 4.28Å; L82-L94 HydrophobicContact CD1-CD1 3.65Å; L82-L94 HydrophobicContact CD1-CG 3.96Å; L82-L94 HydrophobicContact CD2-CG 4.45Å
83Y94.2Very high92.7Very high88 Ų8859.7 Ų59.735%0.34534%0.342SS..EExtended strand (participates in β ladder)trans-130.991.3-177.8-53.5-86.4000110.6Y76 T78 Q81Y76-Y83 HydrophobicContact CD1-CD2 4.1Å; Y76-Y83 PolarHBondContact N-O 3.34Å; Y76-Y83 PolarHBondContact O-N 3.21Å; T78-Y83 HydrophobicContact CG2-CE2 3.94Å; Q81-Y83 HydrophobicContact CB-CE2 3.88Å; Q81-Y83 VanDerWaalsContact CD-CZ 3.46Å; Q81-Y83 HydrophobicContact CG-CE1 3.91Å; Q81-Y83 HydrophobicContact CG-CE2 3.9Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.15Å; Q81-Y83 PolarHBondContact OE1-OH 2.93Å
84P94.6Very high92.6Very high59 Ų5957.1 Ų57.138%0.38332%0.324SS..EExtended strand (participates in β ladder)trans-66.6133.6170-2235.3000111.8S89 V92P84-S89 WeakPolarHBondContact CB-O 3.44Å; P84-V92 HydrophobicContact CB-CG2 3.95Å
85T93.5Very high92.4Very high48 Ų4860.3 Ų60.329%0.29434%0.341SS..  trans-133.2168-171.850.40000113P73 I74 L75 S89P73-T85 VanDerWaalsContact C-OG1 3.31Å; P73-T85 PolarHBondContact O-OG1 2.93Å; P73-T85 VanDerWaalsContact O-OG1 3.11Å; I74-T85 WeakPolarHBondContact CA-OG1 3.49Å; I74-T85 PolarHBondContact N-OG1 3.37Å; I74-T85 PolarHBondContact O-N 3.5Å; I74-T85 PolarHBondContact O-OG1 3.44Å; L75-T85 PolarHBondContact N-OG1 3.41Å; T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.9Å
86G90.3Very high92.1Very high54 Ų5463 Ų6356%0.55735%0.354SS*.THydrogen-bonded Turntrans61.2-160.817700000114.9K88 S89G86-K88 VanDerWaalsContact C-N 3.3Å; G86-K88 PolarHBondContact O-N 3.45Å; G86-S89 WeakPolarHBondContact O-CB 3.37Å; G86-S89 PolarHBondContact O-N 3.46Å; G86-S89 PolarHBondContact O-OG 3.04Å
87S90.1Very high91.7Very high117 Ų11763.8 Ų63.882%0.81836%0.363SS*.THydrogen-bonded Turntrans-72.1-18.8-176.9560000114.4
88K92.8Very high91.4Very high10 Ų1067.4 Ų67.44%0.04339%0.387CS..THydrogen-bonded Turntrans-91.6-8.6178.2-51.6-166.2-162.9-65.40113.4I74 G86 K90 R91 V92 L108 S114 D115 Y119I74-K88 HydrophobicContact CB-CB 4.39Å; I74-K88 HydrophobicContact CD1-CD 4.32Å; I74-K88 HydrophobicContact CG2-CB 4.22Å; I74-K88 HydrophobicContact CG2-CD 4.15Å; I74-K88 HydrophobicContact CG2-CG 4.17Å; G86-K88 VanDerWaalsContact C-N 3.3Å; G86-K88 PolarHBondContact O-N 3.45Å; K88-K90 PolarHBondContact O-N 3.49Å; K88-R91 PolarHBondContact O-N 3.07Å; K88-V92 HydrophobicContact CB-CG1 3.91Å; K88-V92 PolarHBondContact O-N 2.92Å; K88-V92 VanDerWaalsContact O-N 3.15Å; K88-L108 HydrophobicContact CB-CD1 4.4Å; K88-L108 HydrophobicContact CD-CD1 4.25Å; K88-S114 PolarHBondContact NZ-O 2.74Å; K88-D115 IonicContact NZ-OD1 2.79Å; K88-D115 PolarHBondContact NZ-OD1 2.97Å; K88-Y119 HydrophobicContact CD-CE1 4.45Å; K88-Y119 WeakPolarHBondContact CE-OH 3.48Å
89S92.6Very high91.2Very high42 Ų4266.7 Ų66.729%0.29438%0.384SS..THydrogen-bonded Turntrans-41.5-38.5-177.849.60000116.6P84 T85 G86 R91P84-S89 WeakPolarHBondContact CB-O 3.44Å; T85-S89 WeakPolarHBondContact O-CB 3.33Å; T85-S89 PolarHBondContact O-N 2.9Å; G86-S89 WeakPolarHBondContact O-CB 3.37Å; G86-S89 PolarHBondContact O-N 3.46Å; G86-S89 PolarHBondContact O-OG 3.04Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.88Å
90K94.8Very high90.7Very high201 Ų20163.1 Ų63.187%0.87437%0.367SS*.THydrogen-bonded Turntrans-78.6-11179.5-65-174.5179.2-178.50115.1K88K88-K90 PolarHBondContact O-N 3.49Å
91R96.1Very high90.1Very high46 Ų4664.7 Ų64.717%0.17437%0.365CS..THydrogen-bonded Turntrans-120.3-10.3-174.6-65.2-171-61.7111.3-5.9113.7K88 S89 L108 T109 D110 D115K88-R91 PolarHBondContact O-N 3.07Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.88Å; R91-L108 HydrophobicContact CB-CD1 4.06Å; R91-L108 WeakPolarHBondContact O-CA 3.09Å; R91-T109 WeakPolarHBondContact CD-O 3.45Å; R91-T109 PolarHBondContact NH1-O 2.83Å; R91-T109 PolarHBondContact O-N 2.97Å; R91-T109 PolarHBondContact O-OG1 3.31Å; R91-D110 PolarHBondContact NH1-O 3.23Å; R91-D115 IonicContact CZ-OD1 3.86Å; R91-D115 IonicContact CZ-OD2 3.4Å; R91-D115 VanDerWaalsContact CZ-OD2 3.24Å; R91-D115 IonicContact NH1-OD1 2.88Å; R91-D115 IonicContact NH1-OD2 3.84Å; R91-D115 PolarHBondContact NH1-OD2 3.04Å; R91-D115 VanDerWaalsContact NH2-CG 3.28Å; R91-D115 IonicContact NH2-OD1 3.24Å; R91-D115 PolarHBondContact NH2-OD1 2.93Å; R91-D115 IonicContact NH2-OD2 3.51Å; R91-D115 PolarHBondContact NH2-OD2 2.81Å
92V96.9Very high89.9Confident10 Ų1060 Ų606%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-94.7141.4176.9-65.70000112I74 L75 P84 K88 L106 K107 L108I74-V92 HydrophobicContact CD1-CG1 4.26Å; I74-V92 WeakPolarHBondContact O-CG2 2.99Å; L75-V92 HydrophobicContact CB-CG2 4.16Å; L75-V92 HydrophobicContact CD1-CB 4.19Å; L75-V92 HydrophobicContact CD1-CG2 4.17Å; P84-V92 HydrophobicContact CB-CG2 3.95Å; K88-V92 HydrophobicContact CB-CG1 3.91Å; K88-V92 PolarHBondContact O-N 2.92Å; K88-V92 VanDerWaalsContact O-N 3.15Å; V92-L106 HydrophobicContact CB-CD1 3.94Å; V92-L106 HydrophobicContact CG1-CD1 4.07Å; V92-K107 CarbonylContact C-O 3.58Å; V92-K107 WeakPolarHBondContact CA-O 3.48Å; V92-L108 HydrophobicContact CG1-CD1 3.62Å
93S95.4Very high89.8Confident42 Ų4260.7 Ų60.729%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-152.6165.717251.20000108.8K107S93-K107 PolarHBondContact N-O 2.85Å; S93-K107 PolarHBondContact O-N 2.64Å; S93-K107 PolarHBondContact OG-O 2.85Å
94L94.6Very high89.7Confident12 Ų1256.5 Ų56.56%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-93.3138.6163.4-62.4176.3000109L57 L75 L82 Q96 P99 T105L57-L94 HydrophobicContact CD2-CD1 4.01Å; L57-L94 HydrophobicContact CD2-CD2 4.17Å; L75-L94 HydrophobicContact CD1-CD2 4.39Å; L75-L94 HydrophobicContact CD1-CG 4.26Å; L75-L94 HydrophobicContact CD2-CD1 4.43Å; L75-L94 HydrophobicContact CD2-CD2 3.81Å; L75-L94 HydrophobicContact CD2-CG 4.08Å; L82-L94 HydrophobicContact CD1-CD1 3.65Å; L82-L94 HydrophobicContact CD1-CG 3.96Å; L82-L94 HydrophobicContact CD2-CG 4.45Å; L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 WeakPolarHBondContact CB-O 3.23Å; L94-Q96 PolarHBondContact O-N 2.04Å; L94-P99 HydrophobicContact CD1-CB 4.15Å; L94-P99 HydrophobicContact CD1-CG 3.81Å; L94-T105 WeakPolarHBondContact CA-O 3.34Å
95L93.2Very high89.8Confident73 Ų7353.9 Ų53.938%0.38232%0.319SS..SBendtrans-66.2-33.3176.3-17565.2000111.3T105 K107L95-T105 HydrophobicContact CB-CG2 3.95Å; L95-T105 HydrophobicContact CD2-CG2 3.9Å; L95-T105 PolarHBondContact N-O 3.17Å; L95-K107 HydrophobicContact CD1-CD 4.18Å
96Q89.6Confident89.9Confident57 Ų5751.6 Ų51.627%0.26631%0.305SS..SBendtrans-111.2120.6167.2-58.977.615.800108.1L94 P98 P99L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 WeakPolarHBondContact CB-O 3.23Å; L94-Q96 PolarHBondContact O-N 2.04Å; Q96-P98 CarbonylContact C-O 3.59Å; Q96-P98 VanDerWaalsContact C-O 3.3Å; Q96-P98 CarbonylContact O-C 3.53Å; Q96-P99 WeakPolarHBondContact O-CA 3.44Å
97N85.8Confident90.3Very high98 Ų9852 Ų5252%0.52429%0.291SS..SBendtrans-133.8111.4176.4-173.231.5000109.7
98P84.1Confident90.7Very high84 Ų8446.4 Ų46.455%0.54525%0.252SS..SBendcis-62.1153-1.628.7-36.2000112.4F77 Q96 T100F77-P98 HydrophobicContact CE2-CB 4.02Å; F77-P98 HydrophobicContact CZ-CB 3.82Å; Q96-P98 CarbonylContact C-O 3.59Å; Q96-P98 VanDerWaalsContact C-O 3.3Å; Q96-P98 CarbonylContact O-C 3.53Å; P98-T100 PolarHBondContact O-N 3.29Å
99P84.2Confident90.9Very high6 Ų648.3 Ų48.34%0.03926%0.264CS..PPolyproline II helixtrans-60.8125.2171.122.3-28.2000109.4F55 L57 F77 L94 Q96 A104F55-P99 HydrophobicContact CE2-CG 3.97Å; F55-P99 HydrophobicContact CZ-CG 3.94Å; L57-P99 HydrophobicContact CD2-CB 4.44Å; L57-P99 HydrophobicContact CD2-CG 4.13Å; F77-P99 HydrophobicContact CD1-CG 3.82Å; F77-P99 HydrophobicContact CD2-CG 4.42Å; F77-P99 HydrophobicContact CE1-CG 3.86Å; F77-P99 HydrophobicContact CE2-CG 4.44Å; F77-P99 HydrophobicContact CG-CG 4.12Å; F77-P99 HydrophobicContact CZ-CG 4.18Å; L94-P99 HydrophobicContact CD1-CB 4.15Å; L94-P99 HydrophobicContact CD1-CG 3.81Å; Q96-P99 WeakPolarHBondContact O-CA 3.44Å; P99-A104 HydrophobicContact CB-CB 4.3Å
100T75.6Confident91.2Very high76 Ų7650.1 Ų50.147%0.46627%0.271SS..PPolyproline II helixtrans-66.8146.7179.846.90000110.9Y47 P98 G102 V103Y47-T100 PolarHBondContact OH-O 2.02Å; Y47-T100 VanDerWaalsContact OH-O 3.08Å; P98-T100 PolarHBondContact O-N 3.29Å; T100-G102 PolarHBondContact O-N 2.83Å; T100-V103 PolarHBondContact O-N 2.83Å; T100-V103 VanDerWaalsContact O-O 3.09Å
101V71.3Confident91.3Very high90 Ų9040.6 Ų40.655%0.54523%0.229SC..THydrogen-bonded Turntrans-47.4108.5-178.3-176.60000111.2T49 D53T49-V101 HydrophobicContact CG2-CG1 4.25Å; D53-V101 VanDerWaalsContact OD1-CG2 3.31Å; D53-V101 WeakPolarHBondContact OD1-CG2 3.19Å
102G85.2Confident91.3Very high13 Ų1342 Ų4213%0.13424%0.238CC..THydrogen-bonded Turntrans88.95.3176.800000117.8T46 Y47 T100T46-G102 CarbonylContact C-O 3.55Å; T46-G102 WeakPolarHBondContact CA-O 3.46Å; T46-G102 VanDerWaalsContact CB-O 3.29Å; T46-G102 WeakPolarHBondContact CB-O 2.92Å; Y47-G102 VanDerWaalsContact CZ-N 3.26Å; Y47-G102 PolarHBondContact N-O 2.92Å; Y47-G102 WeakPolarHBondContact O-CA 3.43Å; Y47-G102 PolarHBondContact OH-N 3.02Å; T100-G102 PolarHBondContact O-N 2.83Å
103V90.9Very high91.3Very high48 Ų4844.8 Ų44.829%0.29126%0.256SS..EExtended strand (participates in β ladder)trans-134.6125.9169.9-171.60000111.1T44 T46 T100T44-V103 HydrophobicContact CG2-CG1 4.15Å; T46-V103 HydrophobicContact CG2-CG2 4.22Å; T100-V103 PolarHBondContact O-N 2.83Å; T100-V103 VanDerWaalsContact O-O 3.09Å
104A92.6Very high91.3Very high0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-131.4109.9172.100000109.8C45 Y47 L57 P99C45-A104 PolarHBondContact N-O 2.97Å; C45-A104 PolarHBondContact O-N 2.86Å; C45-A104 PolarHBondContact SG-O 2.87Å; C45-A104 VanDerWaalsContact SG-O 3.38Å; Y47-A104 HydrophobicContact CD1-CB 4.43Å; Y47-A104 HydrophobicContact CE1-CB 3.91Å; L57-A104 HydrophobicContact CD1-CB 4.11Å; L57-A104 HydrophobicContact CD2-CB 3.62Å; P99-A104 HydrophobicContact CB-CB 4.3Å
105T95.6Very high91.4Very high5 Ų546.5 Ų46.53%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-108.1109.8176.2-590000110.3E42 L43 T44 L94 L95 K107E42-T105 HydrophobicContact CB-CG2 3.94Å; L43-T105 CarbonylContact O-C 3.52Å; L43-T105 WeakPolarHBondContact O-CA 3.49Å; T44-T105 WeakPolarHBondContact CG2-OG1 3.49Å; T44-T105 VanDerWaalsContact OG1-CG2 3.32Å; T44-T105 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T105 PolarHBondContact OG1-OG1 2.88Å; L94-T105 WeakPolarHBondContact CA-O 3.34Å; L95-T105 HydrophobicContact CB-CG2 3.95Å; L95-T105 HydrophobicContact CD2-CG2 3.9Å; L95-T105 PolarHBondContact N-O 3.17Å; T105-K107 PolarHBondContact O-N 2.83Å
106L97.2Very high91.6Very high0 Ų044.7 Ų44.70%026%0.261CS..EExtended strand (participates in β ladder)trans-75.1117.3170.3174.473.2000109.4E42 L43 W59 I74 L75 V92 Y119E42-L106 WeakPolarHBondContact CA-O 3.39Å; L43-L106 HydrophobicContact CB-CB 4.32Å; L43-L106 HydrophobicContact CD1-CD2 4.35Å; L43-L106 PolarHBondContact N-O 2.91Å; L43-L106 PolarHBondContact O-N 2.82Å; W59-L106 HydrophobicContact CB-CD1 4.43Å; W59-L106 HydrophobicContact CB-CD2 4.19Å; W59-L106 HydrophobicContact CD2-CB 3.63Å; W59-L106 HydrophobicContact CD2-CD2 3.74Å; W59-L106 HydrophobicContact CD2-CG 4.18Å; W59-L106 VanDerWaalsContact CE2-CB 3.5Å; W59-L106 HydrophobicContact CE3-CB 3.98Å; W59-L106 HydrophobicContact CE3-CD2 3.54Å; W59-L106 HydrophobicContact CE3-CG 4.36Å; W59-L106 HydrophobicContact CG-CB 4.12Å; W59-L106 HydrophobicContact CG-CD1 4.27Å; W59-L106 HydrophobicContact CG-CD2 4.05Å; W59-L106 HydrophobicContact CG-CG 4.38Å; W59-L106 HydrophobicContact CH2-CB 3.99Å; W59-L106 HydrophobicContact CZ2-CB 3.67Å; W59-L106 HydrophobicContact CZ3-CB 4.15Å; W59-L106 HydrophobicContact CZ3-CD2 4.1Å; I74-L106 HydrophobicContact CD1-CD2 3.86Å; L75-L106 HydrophobicContact CB-CD1 4.4Å; L75-L106 HydrophobicContact CD1-CD1 3.94Å; V92-L106 HydrophobicContact CB-CD1 3.94Å; V92-L106 HydrophobicContact CG1-CD1 4.07Å; L106-Y119 HydrophobicContact CD2-CD1 3.96Å; L106-Y119 HydrophobicContact CD2-CE1 4.41Å
107K97.5Very high91.9Very high62 Ų6242.3 Ų42.327%0.2725%0.252SS..EExtended strand (participates in β ladder)trans-98.5109.6174.7-176.4176.2-165.9156.50109.4T40 E42 V92 S93 L95 T105T40-K107 HydrophobicContact CG2-CD 4.29Å; T40-K107 HydrophobicContact CG2-CG 3.49Å; T40-K107 VanDerWaalsContact CG2-CG 3.49Å; E42-K107 HydrophobicContact CG-CG 4.27Å; E42-K107 WeakPolarHBondContact OE1-CE 3.23Å; E42-K107 IonicContact OE1-NZ 3.66Å; V92-K107 CarbonylContact C-O 3.58Å; V92-K107 WeakPolarHBondContact CA-O 3.48Å; S93-K107 PolarHBondContact N-O 2.85Å; S93-K107 PolarHBondContact O-N 2.64Å; S93-K107 PolarHBondContact OG-O 2.85Å; L95-K107 HydrophobicContact CD1-CD 4.18Å; T105-K107 PolarHBondContact O-N 2.83Å
108L98.2Very high92.4Very high0 Ų039.2 Ų39.20%024%0.237CC..EExtended strand (participates in β ladder)trans-105.2104.7176.617967.9000109.3T40 A41 L43 K88 R91 V92 V111 D115 Y119 L139T40-L108 CarbonylContact C-O 3.59Å; T40-L108 VanDerWaalsContact CA-O 3.31Å; T40-L108 WeakPolarHBondContact CA-O 3.43Å; T40-L108 WeakPolarHBondContact CG2-O 3.43Å; A41-L108 PolarHBondContact N-O 3.17Å; A41-L108 PolarHBondContact O-N 3.07Å; L43-L108 HydrophobicContact CD1-CB 4.43Å; K88-L108 HydrophobicContact CB-CD1 4.4Å; K88-L108 HydrophobicContact CD-CD1 4.25Å; R91-L108 HydrophobicContact CB-CD1 4.06Å; R91-L108 WeakPolarHBondContact O-CA 3.09Å; V92-L108 HydrophobicContact CG1-CD1 3.62Å; L108-V111 HydrophobicContact CD2-CG1 4.06Å; L108-V111 HydrophobicContact CG-CG1 4.08Å; L108-V111 WeakPolarHBondContact O-CG1 3.32Å; L108-D115 HydrophobicContact CD2-CB 3.93Å; L108-Y119 HydrophobicContact CD2-CE1 4.27Å; L108-Y119 WeakPolarHBondContact CD2-OH 3.37Å; L108-L139 HydrophobicContact CD2-CD2 4.3Å
109T98.1Very high93.1Very high49 Ų4935.2 Ų35.230%0.30121%0.211SC..  trans-78.8158.7178.859.60000112.1T40 R91 V111T40-T109 HydrophobicContact CG2-CG2 4.14Å; R91-T109 WeakPolarHBondContact CD-O 3.45Å; R91-T109 PolarHBondContact NH1-O 2.83Å; R91-T109 PolarHBondContact O-N 2.97Å; R91-T109 PolarHBondContact O-OG1 3.31Å; T109-V111 PolarHBondContact O-N 3.26Å
110D97.4Very high93.6Very high81 Ų8135.2 Ų35.243%0.43321%0.21SC..SBendtrans48.461.4172.6-174.531.9000112.8K39 R91 H112K39-D110 WeakPolarHBondContact O-CA 3.28Å; K39-D110 PolarHBondContact O-N 3Å; R91-D110 PolarHBondContact NH1-O 3.23Å; D110-H112 PolarHBondContact O-CE1 2.82Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 PolarHBondContact O-ND1 2.86Å; D110-H112 IonicContact OD1-CE1 2.64Å; D110-H112 IonicContact OD2-CE1 2.68Å; D110-H112 PolarHBondContact OD2-CE1 3.04Å
111V97.9Very high94.6Very high0 Ų031.6 Ų31.60%019%0.188CC..  trans-69.1131.5-172.9-61.60000112.4T35 P36 G38 K39 A41 L108 T109 D115 V141T35-V111 HydrophobicContact CG2-CG1 4.49Å; T35-V111 HydrophobicContact CG2-CG2 3.76Å; P36-V111 WeakPolarHBondContact O-CG2 3.28Å; G38-V111 PolarHBondContact N-O 3.23Å; K39-V111 PolarHBondContact O-N 3.18Å; A41-V111 HydrophobicContact CB-CG1 3.86Å; L108-V111 HydrophobicContact CD2-CG1 4.06Å; L108-V111 HydrophobicContact CG-CG1 4.08Å; L108-V111 WeakPolarHBondContact O-CG1 3.32Å; T109-V111 PolarHBondContact O-N 3.26Å; V111-D115 WeakPolarHBondContact CA-OD2 3.38Å; V111-V141 HydrophobicContact CB-CG1 4.38Å; V111-V141 HydrophobicContact CB-CG2 3.9Å; V111-V141 HydrophobicContact CG2-CG1 3.89Å; V111-V141 HydrophobicContact CG2-CG2 4.05Å
112H96.3Very high95.6Very high77 Ų7729.8 Ų29.836%0.35617%0.174SC..  trans-106.8161.5179.7-75.159.6000110.8D110 S114 D115 V141D110-H112 PolarHBondContact O-CE1 2.82Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 PolarHBondContact O-ND1 2.86Å; D110-H112 IonicContact OD1-CE1 2.64Å; D110-H112 IonicContact OD2-CE1 2.68Å; D110-H112 PolarHBondContact OD2-CE1 3.04Å; H112-S114 PolarHBondContact O-N 2.92Å; H112-S114 VanDerWaalsContact O-N 3.09Å; H112-D115 PolarHBondContact N-OD2 3.43Å; H112-D115 VanDerWaalsContact O-CB 3.31Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 3.44Å; H112-V141 WeakPolarHBondContact O-CG2 3.36Å
113P95.8Very high95.9Very high68 Ų6829.2 Ų29.244%0.44217%0.168SC..G310 helixtrans-57.3-31.7179.5-24.635.8000113.1L37 D115 T116 V143L37-P113 HydrophobicContact CD1-CG 4.05Å; P113-D115 PolarHBondContact O-N 3.36Å; P113-T116 WeakPolarHBondContact O-CB 3.46Å; P113-T116 PolarHBondContact O-N 3.17Å; P113-T116 VanDerWaalsContact O-N 3.15Å; P113-T116 PolarHBondContact O-OG1 3.39Å; P113-V143 HydrophobicContact CG-CG2 4.14Å
114S95.3Very high95.7Very high88 Ų8828.3 Ų28.362%0.61516%0.161SC*.G310 helixtrans-74.40.5174.352.70000115.4K88 H112K88-S114 PolarHBondContact NZ-O 2.74Å; H112-S114 PolarHBondContact O-N 2.92Å; H112-S114 VanDerWaalsContact O-N 3.09Å
115D96.9Very high95Very high1 Ų128.4 Ų28.41%0.00516%0.162CC..G310 helixtrans-90-8.1165.8-63.2-38.6000112.6K88 R91 L108 V111 H112 P113 G117 Y119 V141K88-D115 IonicContact NZ-OD1 2.79Å; K88-D115 PolarHBondContact NZ-OD1 2.97Å; R91-D115 IonicContact CZ-OD1 3.86Å; R91-D115 IonicContact CZ-OD2 3.4Å; R91-D115 VanDerWaalsContact CZ-OD2 3.24Å; R91-D115 IonicContact NH1-OD1 2.88Å; R91-D115 IonicContact NH1-OD2 3.84Å; R91-D115 PolarHBondContact NH1-OD2 3.04Å; R91-D115 VanDerWaalsContact NH2-CG 3.28Å; R91-D115 IonicContact NH2-OD1 3.24Å; R91-D115 PolarHBondContact NH2-OD1 2.93Å; R91-D115 IonicContact NH2-OD2 3.51Å; R91-D115 PolarHBondContact NH2-OD2 2.81Å; L108-D115 HydrophobicContact CD2-CB 3.93Å; V111-D115 WeakPolarHBondContact CA-OD2 3.38Å; H112-D115 PolarHBondContact N-OD2 3.43Å; H112-D115 VanDerWaalsContact O-CB 3.31Å; H112-D115 WeakPolarHBondContact O-CB 3.28Å; H112-D115 PolarHBondContact O-N 3.44Å; P113-D115 PolarHBondContact O-N 3.36Å; D115-G117 PolarHBondContact O-N 3.48Å; D115-Y119 VanDerWaalsContact O-CE2 3.26Å; D115-Y119 WeakPolarHBondContact O-CE2 3.31Å; D115-Y119 PolarHBondContact O-OH 2.94Å; D115-V141 HydrophobicContact CB-CG2 4.12Å
116T97.2Very high93.9Very high36 Ų3630.8 Ų30.822%0.22118%0.177CC..  trans-62.2130.1169.1-600000109.9P64 P113 L139 V141P64-T116 VanDerWaalsContact CD-O 3.26Å; P64-T116 WeakPolarHBondContact CD-O 3.43Å; P64-T116 HydrophobicContact CG-CG2 4.14Å; P64-T116 WeakPolarHBondContact CG-O 3.37Å; P113-T116 WeakPolarHBondContact O-CB 3.46Å; P113-T116 PolarHBondContact O-N 3.17Å; P113-T116 VanDerWaalsContact O-N 3.15Å; P113-T116 PolarHBondContact O-OG1 3.39Å; T116-L139 WeakPolarHBondContact CA-O 3.39Å; T116-V141 PolarHBondContact OG1-N 3.1Å
117G96.4Very high92.3Very high7 Ų735.9 Ų35.97%0.07221%0.21CC..EExtended strand (participates in β ladder)trans158.2-169.2-176.500000113.2V62 D115 L139V62-G117 WeakPolarHBondContact O-CA 3.46Å; D115-G117 PolarHBondContact O-N 3.48Å; G117-L139 PolarHBondContact N-O 2.94Å; G117-L139 PolarHBondContact O-N 3.4Å
118T97.3Very high90.4Very high33 Ų3334.4 Ų34.420%0.20221%0.205CC..EExtended strand (participates in β ladder)trans-101127.8177.2-52.50000109.6V62 L120 L136 N138V62-T118 PolarHBondContact N-O 2.95Å; V62-T118 PolarHBondContact O-N 2.93Å; T118-L120 HydrophobicContact CG2-CD1 4.49Å; T118-L136 HydrophobicContact CG2-CB 4.23Å; T118-L136 HydrophobicContact CG2-CD2 4.35Å; T118-N138 WeakPolarHBondContact CB-OD1 3.35Å; T118-N138 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N138 PolarHBondContact OG1-OD1 3.14Å
119Y97.3Very high88.4Confident0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-104.6129.8175.4-69-104.9000108.8L43 S60 F61 I74 K88 L106 L108 D115 I137 L139L43-Y119 HydrophobicContact CD2-CD1 3.84Å; L43-Y119 HydrophobicContact CD2-CD2 3.57Å; L43-Y119 HydrophobicContact CD2-CE1 4.47Å; L43-Y119 HydrophobicContact CD2-CE2 4.27Å; L43-Y119 HydrophobicContact CD2-CG 3.35Å; S60-Y119 CarbonylContact O-C 3.59Å; S60-Y119 WeakPolarHBondContact O-CA 3.48Å; F61-Y119 HydrophobicContact CB-CE1 4.46Å; F61-Y119 HydrophobicContact CD2-CD1 4.12Å; F61-Y119 HydrophobicContact CD2-CD2 4.03Å; F61-Y119 AromaticContact CD2-CE1 3.69Å; F61-Y119 HydrophobicContact CD2-CE1 3.69Å; F61-Y119 AromaticContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CE2 3.56Å; F61-Y119 HydrophobicContact CD2-CG 4.27Å; F61-Y119 AromaticContact CD2-CZ 3.36Å; F61-Y119 HydrophobicContact CE2-CD2 4.39Å; F61-Y119 HydrophobicContact CE2-CE1 4.39Å; F61-Y119 AromaticContact CE2-CE2 3.63Å; F61-Y119 HydrophobicContact CE2-CE2 3.63Å; F61-Y119 AromaticContact CE2-CZ 3.62Å; F61-Y119 HydrophobicContact CG-CE1 4.42Å; I74-Y119 HydrophobicContact CD1-CD1 3.76Å; I74-Y119 HydrophobicContact CD1-CE1 3.69Å; K88-Y119 HydrophobicContact CD-CE1 4.45Å; K88-Y119 WeakPolarHBondContact CE-OH 3.48Å; L106-Y119 HydrophobicContact CD2-CD1 3.96Å; L106-Y119 HydrophobicContact CD2-CE1 4.41Å; L108-Y119 HydrophobicContact CD2-CE1 4.27Å; L108-Y119 WeakPolarHBondContact CD2-OH 3.37Å; D115-Y119 VanDerWaalsContact O-CE2 3.26Å; D115-Y119 WeakPolarHBondContact O-CE2 3.31Å; D115-Y119 PolarHBondContact O-OH 2.94Å; Y119-I137 PolarHBondContact N-O 3.47Å; Y119-I137 PolarHBondContact O-N 2.84Å; Y119-L139 HydrophobicContact CD2-CB 3.98Å; Y119-L139 HydrophobicContact CE2-CB 3.78Å; Y119-L139 HydrophobicContact CE2-CD2 3.82Å; Y119-L139 HydrophobicContact CE2-CG 4.39Å
120L96.4Very high86.4Confident6 Ų650.7 Ų50.73%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-95.8123.9176.3-72.362000107.1W59 S60 V62 I68 T118 L134 G135 L136W59-L120 VanDerWaalsContact CA-O 3.3Å; W59-L120 WeakPolarHBondContact CA-O 3.37Å; S60-L120 PolarHBondContact N-O 3.3Å; S60-L120 PolarHBondContact O-N 2.75Å; V62-L120 HydrophobicContact CG2-CD1 3.64Å; I68-L120 HydrophobicContact CG2-CD2 3.89Å; I68-L120 HydrophobicContact CG2-CG 4.46Å; T118-L120 HydrophobicContact CG2-CD1 4.49Å; L120-L134 HydrophobicContact CB-CD1 3.97Å; L120-L134 HydrophobicContact CD2-CD1 4.32Å; L120-L134 HydrophobicContact CG-CD1 4.09Å; L120-G135 WeakPolarHBondContact CA-O 3.45Å; L120-L136 HydrophobicContact CD1-CD2 4.13Å; L120-L136 HydrophobicContact CG-CD2 3.78Å
121C95.5Very high84.7Confident0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-101.2108.5159.71650000107.4C45 W59 G135C45-C121 HydrophobicContact CB-CB 3.59Å; C45-C121 WeakPolarHBondContact CB-SG 3.43Å; C45-C121 WeakPolarHBondContact SG-CB 3.32Å; C45-C121 CovalentContact SG-SG 2.03Å; C45-C121 PolarHBondContact SG-SG 2.83Å; W59-C121 HydrophobicContact CD2-CB 4.14Å; W59-C121 HydrophobicContact CE3-CB 4.09Å; W59-C121 HydrophobicContact CH2-CB 3.73Å; W59-C121 HydrophobicContact CZ2-CB 3.73Å; W59-C121 HydrophobicContact CZ3-CB 3.89Å; C121-G135 PolarHBondContact N-O 2.91Å; C121-G135 PolarHBondContact O-N 2.91Å
122Q93Very high83.7Confident52 Ų5252.1 Ų52.124%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-108.9122.4176.8179.2171-20.800109.5L57 E58 N124 G133 L134L57-Q122 WeakPolarHBondContact CA-O 3.42Å; E58-Q122 HydrophobicContact CB-CB 4.44Å; E58-Q122 PolarHBondContact N-O 2.86Å; E58-Q122 PolarHBondContact O-N 3.2Å; Q122-N124 VanDerWaalsContact CG-OD1 3.24Å; Q122-N124 WeakPolarHBondContact CG-OD1 3.41Å; Q122-N124 PolarHBondContact NE2-ND2 3.39Å; Q122-N124 PolarHBondContact NE2-OD1 3.47Å; Q122-G133 CarbonylContact C-O 3.26Å; Q122-G133 WeakPolarHBondContact CA-O 3.39Å; Q122-L134 HydrophobicContact CB-CD1 4.22Å
123V91.3Very high83.3Confident1 Ų148.7 Ų48.71%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-111118.1174.7-177.10000107.8V24 V26 Y47 L57 G133V24-V123 HydrophobicContact CG1-CB 3.78Å; V24-V123 HydrophobicContact CG1-CG1 3.71Å; V26-V123 HydrophobicContact CG2-CB 3.98Å; V26-V123 HydrophobicContact CG2-CG2 3.9Å; Y47-V123 HydrophobicContact CD1-CG2 4.12Å; Y47-V123 HydrophobicContact CD2-CG1 3.87Å; Y47-V123 HydrophobicContact CD2-CG2 4.37Å; Y47-V123 HydrophobicContact CE2-CG1 4.33Å; Y47-V123 HydrophobicContact CG-CG1 4.25Å; Y47-V123 HydrophobicContact CG-CG2 3.94Å; L57-V123 HydrophobicContact CD1-CG2 3.9Å; V123-G133 PolarHBondContact N-O 3.42Å; V123-G133 PolarHBondContact O-N 3.4Å
124N86.1Confident83.1Confident28 Ų2849.3 Ų49.315%0.1526%0.261CS..EExtended strand (participates in β ladder)trans-107.1148.5-179.1-59.3-34.2000109.5A56 Q122 P126 N132A56-N124 HydrophobicContact CB-CB 4.44Å; A56-N124 PolarHBondContact N-O 2.93Å; A56-N124 PolarHBondContact O-N 3.27Å; Q122-N124 VanDerWaalsContact CG-OD1 3.24Å; Q122-N124 WeakPolarHBondContact CG-OD1 3.41Å; Q122-N124 PolarHBondContact NE2-ND2 3.39Å; Q122-N124 PolarHBondContact NE2-OD1 3.47Å; N124-P126 WeakPolarHBondContact O-CD 3.45Å; N124-N132 WeakPolarHBondContact OD1-CB 3.35Å; N124-N132 PolarHBondContact OD1-OD1 3.48Å
125N78.6Confident83Confident3 Ų345.2 Ų45.22%0.01623%0.233CC..  trans-107.8100.5173.5-173.831.5000110.4V24 V51 D128V24-N125 HydrophobicContact CG2-CB 3.85Å; V51-N125 WeakPolarHBondContact CG1-OD1 3.4Å; V51-N125 WeakPolarHBondContact CG2-OD1 3.46Å; N125-D128 PolarHBondContact ND2-OD1 2.89Å; N125-D128 PolarHBondContact ND2-OD2 3.4Å; N125-D128 CarbonylContact O-C 3.56Å; N125-D128 VanDerWaalsContact O-C 3.26Å; N125-D128 WeakPolarHBondContact O-CA 3.39Å; N125-D128 PolarHBondContact O-N 2.9Å
126P72.2Confident83Confident54 Ų5448.6 Ų48.635%0.35125%0.25SS..THydrogen-bonded Turntrans-70.4136.4171.5-1731000111.4S54 A56 N124S54-P126 WeakPolarHBondContact O-CD 3.48Å; A56-P126 HydrophobicContact CB-CG 4.17Å; N124-P126 WeakPolarHBondContact O-CD 3.45Å
127P64.4Low83Confident108 Ų10847.2 Ų47.270%0.70124%0.242SC*.THydrogen-bonded Turncis-92.2-0.1737.3-36.4000115F129P127-F129 WeakPolarHBondContact O-CD2 3.25Å; P127-F129 WeakPolarHBondContact O-CE2 3.28Å; P127-F129 PolarHBondContact O-N 3.33Å
128D57.5Low83Confident30 Ų3051 Ų5116%0.1626%0.26CS..  trans-81.176-175.948-69000114.2N125 Y130 T131N125-D128 PolarHBondContact ND2-OD1 2.89Å; N125-D128 PolarHBondContact ND2-OD2 3.4Å; N125-D128 CarbonylContact O-C 3.56Å; N125-D128 VanDerWaalsContact O-C 3.26Å; N125-D128 WeakPolarHBondContact O-CA 3.39Å; N125-D128 PolarHBondContact O-N 2.9Å; D128-Y130 PolarHBondContact O-N 3.37Å; D128-T131 PolarHBondContact O-N 2.87Å; D128-T131 PolarHBondContact O-OG1 3.32Å; D128-T131 WeakPolarHBondContact OD2-CB 3.48Å; D128-T131 PolarHBondContact OD2-OG1 3.37Å
129F55.5Low83Confident168 Ų16849.5 Ų49.574%0.73725%0.251SS*.THydrogen-bonded Turntrans-52.6-3.2173-62.6-81.3000116.8P127 N132P127-F129 WeakPolarHBondContact O-CD2 3.25Å; P127-F129 WeakPolarHBondContact O-CE2 3.28Å; P127-F129 PolarHBondContact O-N 3.33Å; F129-N132 PolarHBondContact O-ND2 2.91Å; F129-N132 PolarHBondContact O-OD1 2.94Å
130Y56.1Low83Confident223 Ų22351.8 Ų51.888%0.87527%0.265SS*.THydrogen-bonded Turntrans-95.1-15.7179.1-59.1-73.5000113D128D128-Y130 PolarHBondContact O-N 3.37Å
131T62.2Low83Confident41 Ų4151.5 Ų51.525%0.25226%0.263SS..  trans-11468.7-170.13.60000110.5L22 V24 D128L22-T131 VanDerWaalsContact O-CB 3.3Å; L22-T131 WeakPolarHBondContact O-CB 3.32Å; L22-T131 WeakPolarHBondContact O-CG2 3.44Å; V24-T131 WeakPolarHBondContact CG2-O 3.45Å; D128-T131 PolarHBondContact O-N 2.87Å; D128-T131 PolarHBondContact O-OG1 3.32Å; D128-T131 WeakPolarHBondContact OD2-CB 3.48Å; D128-T131 PolarHBondContact OD2-OG1 3.37Å
132N75.9Confident83.2Confident71 Ų7152 Ų5238%0.3827%0.266SS..  trans-106.1125.3-174.1-46.1-56.6000110.6N124 F129N124-N132 WeakPolarHBondContact OD1-CB 3.35Å; N124-N132 PolarHBondContact OD1-OD1 3.48Å; F129-N132 PolarHBondContact O-ND2 2.91Å; F129-N132 PolarHBondContact O-OD1 2.94Å
133G87.6Confident83.4Confident4 Ų450 Ų504%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-88.2135.9171.700000110.9V24 Q122 V123V24-G133 VanDerWaalsContact O-CA 3.26Å; V24-G133 WeakPolarHBondContact O-CA 3.5Å; Q122-G133 CarbonylContact C-O 3.26Å; Q122-G133 WeakPolarHBondContact CA-O 3.39Å; V123-G133 PolarHBondContact N-O 3.42Å; V123-G133 PolarHBondContact O-N 3.4Å
134L91.9Very high83.7Confident82 Ų8252.9 Ų52.943%0.42928%0.276SS..EExtended strand (participates in β ladder)trans-130.2120.2-178.4178.363.2000111.6L120 Q122 L136L120-L134 HydrophobicContact CB-CD1 3.97Å; L120-L134 HydrophobicContact CD2-CD1 4.32Å; L120-L134 HydrophobicContact CG-CD1 4.09Å; Q122-L134 HydrophobicContact CB-CD1 4.22Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD2-CD2 4.28Å; L134-L136 HydrophobicContact CG-CD2 4.18Å
135G94.3Very high84.3Confident2 Ų252 Ų522%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-106.3138.6168.900000111.5L120 C121L120-G135 WeakPolarHBondContact CA-O 3.45Å; C121-G135 PolarHBondContact N-O 2.91Å; C121-G135 PolarHBondContact O-N 2.91Å
136L95.6Very high85.2Confident71 Ų7153 Ų5337%0.37228%0.279SS..EExtended strand (participates in β ladder)trans-115.3121.1177.5-59.1179.3000110.1I68 T118 L120 L134I68-L136 HydrophobicContact CD1-CD1 3.78Å; I68-L136 HydrophobicContact CD1-CD2 4.41Å; T118-L136 HydrophobicContact CG2-CB 4.23Å; T118-L136 HydrophobicContact CG2-CD2 4.35Å; L120-L136 HydrophobicContact CD1-CD2 4.13Å; L120-L136 HydrophobicContact CG-CD2 3.78Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD2-CD2 4.28Å; L134-L136 HydrophobicContact CG-CD2 4.18Å
137I97.1Very high86.4Confident7 Ų757.4 Ų57.44%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-119.9120-180-59.4173.3000109V28 L33 L43 T44 W59 Y119V28-I137 HydrophobicContact CB-CD1 4.32Å; V28-I137 HydrophobicContact CB-CG1 3.87Å; V28-I137 HydrophobicContact CG1-CD1 3.91Å; V28-I137 HydrophobicContact CG1-CG1 3.7Å; L33-I137 HydrophobicContact CB-CG2 4.41Å; L43-I137 HydrophobicContact CB-CD1 4.07Å; L43-I137 HydrophobicContact CD2-CB 4.4Å; L43-I137 HydrophobicContact CD2-CG2 4.02Å; L43-I137 HydrophobicContact CG-CG2 4.43Å; T44-I137 WeakPolarHBondContact O-CD1 3.13Å; W59-I137 HydrophobicContact CH2-CD1 3.8Å; W59-I137 HydrophobicContact CZ3-CD1 4.14Å; Y119-I137 PolarHBondContact N-O 3.47Å; Y119-I137 PolarHBondContact O-N 2.84Å
138N96.3Very high88Confident86 Ų8652.7 Ų52.746%0.4627%0.269SS..EExtended strand (participates in β ladder)trans-87122.1172.7-67.9-36.1000109.6L33 T118L33-N138 PolarHBondContact N-O 2.86Å; T118-N138 WeakPolarHBondContact CB-OD1 3.35Å; T118-N138 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N138 PolarHBondContact OG1-OD1 3.14Å
139L97.4Very high89.9Confident2 Ų257 Ų571%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-107.2128.6173.3173.363000109.7L33 A41 L43 L108 T116 G117 Y119 V141L33-L139 HydrophobicContact CB-CD1 4.33Å; L33-L139 HydrophobicContact CD2-CD1 4.01Å; L33-L139 HydrophobicContact CG-CD1 3.93Å; L33-L139 CarbonylContact O-C 3.54Å; L33-L139 WeakPolarHBondContact O-CA 3.41Å; A41-L139 HydrophobicContact CB-CD1 3.97Å; A41-L139 HydrophobicContact CB-CD2 3.86Å; L43-L139 HydrophobicContact CD2-CB 4.47Å; L108-L139 HydrophobicContact CD2-CD2 4.3Å; T116-L139 WeakPolarHBondContact CA-O 3.39Å; G117-L139 PolarHBondContact N-O 2.94Å; G117-L139 PolarHBondContact O-N 3.4Å; Y119-L139 HydrophobicContact CD2-CB 3.98Å; Y119-L139 HydrophobicContact CE2-CB 3.78Å; Y119-L139 HydrophobicContact CE2-CD2 3.82Å; Y119-L139 HydrophobicContact CE2-CG 4.39Å; L139-V141 HydrophobicContact CD2-CG2 4.47Å; L139-V141 HydrophobicContact CG-CG2 4.45Å
140T97.1Very high91.9Very high48 Ų4850.1 Ų50.129%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-110.6119.2168.6-52.80000110.1L33 S34 T35 L142L33-T140 PolarHBondContact O-N 2.88Å; S34-T140 WeakPolarHBondContact CA-O 3.42Å; T35-T140 PolarHBondContact N-O 2.86Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å
141V98Very high93.9Very high0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-82.9121.4173.1178.50000109.2T35 L37 V111 H112 D115 T116 L139 A172T35-V141 CarbonylContact O-C 3.57Å; T35-V141 VanDerWaalsContact O-CA 3.29Å; T35-V141 WeakPolarHBondContact O-CA 3.44Å; L37-V141 HydrophobicContact CD1-CG1 4.49Å; V111-V141 HydrophobicContact CB-CG1 4.38Å; V111-V141 HydrophobicContact CB-CG2 3.9Å; V111-V141 HydrophobicContact CG2-CG1 3.89Å; V111-V141 HydrophobicContact CG2-CG2 4.05Å; H112-V141 WeakPolarHBondContact O-CG2 3.36Å; D115-V141 HydrophobicContact CB-CG2 4.12Å; T116-V141 PolarHBondContact OG1-N 3.1Å; L139-V141 HydrophobicContact CD2-CG2 4.47Å; L139-V141 HydrophobicContact CG-CG2 4.45Å; V141-A172 WeakPolarHBondContact O-CB 3.09Å
142L98.3Very high95.6Very high12 Ų1243.7 Ų43.76%0.06325%0.245CC..EExtended strand (participates in β ladder)trans-87.4133.5-174.4-49.2-177.2000111T35 L37 T140 A172 M223T35-L142 PolarHBondContact O-N 2.83Å; L37-L142 PolarHBondContact N-O 2.96Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å; L142-A172 CarbonylContact C-O 3.59Å; L142-A172 VanDerWaalsContact CA-O 3.3Å; L142-A172 WeakPolarHBondContact CA-O 3.34Å; L142-M223 HydrophobicContact CB-CG 3.6Å; L142-M223 HydrophobicContact CB-SD 3.54Å; L142-M223 VanDerWaalsContact CB-SD 3.54Å; L142-M223 HydrophobicContact CD1-CE 3.89Å; L142-M223 HydrophobicContact CD1-CG 4.43Å; L142-M223 HydrophobicContact CD1-SD 3.82Å; L142-M223 HydrophobicContact CG-SD 4.37Å
143V98Very high96.6Very high9 Ų943.6 Ų43.66%0.05525%0.25CC..BIsolated β-bridgetrans-137.9131.7-174.2-171.70000108.2P113 G171 A172 N221P113-V143 HydrophobicContact CG-CG2 4.14Å; V143-G171 WeakPolarHBondContact O-CA 3.5Å; V143-A172 HydrophobicContact CB-CB 4.12Å; V143-A172 HydrophobicContact CG2-CB 4.13Å; V143-A172 PolarHBondContact N-O 3.41Å; V143-A172 PolarHBondContact O-N 2.57Å; V143-N221 PolarHBondContact O-ND2 2.99Å
144P98Very high96.9Very high61 Ų6146.2 Ų46.240%0.39628%0.277SS..PPolyproline II helixtrans-63.2163.2173.429-36000111.6S146 M223P144-S146 PolarHBondContact O-N 3.33Å; P144-M223 HydrophobicContact CB-CB 4.12Å
145P98.1Very high97Very high10 Ų1048 Ų487%0.06528%0.283CS..PPolyproline II helixtrans-64.6134.7174.7-15.531.6000109.8E170 P175 A219 N221 G224 A226P145-E170 WeakPolarHBondContact CA-O 3.49Å; P145-P175 HydrophobicContact CB-CB 4.14Å; P145-P175 HydrophobicContact CB-CG 4.31Å; P145-P175 HydrophobicContact CG-CB 3.99Å; P145-A219 HydrophobicContact CB-CB 4.04Å; P145-N221 HydrophobicContact CG-CB 4.48Å; P145-G224 WeakPolarHBondContact CD-O 3.44Å; P145-G224 WeakPolarHBondContact CG-O 3.48Å; P145-A226 HydrophobicContact CB-CB 4.35Å
146S97.3Very high97Very high24 Ų2450 Ų5017%0.16830%0.295CS..PPolyproline II helixtrans-69.1162.4166.859.30000110.9P144 P148 S169 E170P144-S146 PolarHBondContact O-N 3.33Å; S146-P148 VanDerWaalsContact O-CD 3.23Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å; S146-S169 PolarHBondContact OG-N 3.02Å; S146-S169 PolarHBondContact OG-OG 2.85Å; S146-E170 PolarHBondContact N-O 2.95Å; S146-E170 VanDerWaalsContact N-O 3.14Å; S146-E170 PolarHBondContact OG-N 3.41Å
147N97.9Very high96.9Very high146 Ų14647.4 Ų47.478%0.78128%0.282SS*.  trans-54114.2175.5-72.7-23.7000110
148P97.8Very high96.6Very high10 Ų1049.7 Ų49.77%0.06530%0.297CS..PPolyproline II helixtrans-72.6149.9-171.726.1-32000111.6S146 S167 A219 C228S146-P148 VanDerWaalsContact O-CD 3.23Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-S167 WeakPolarHBondContact CA-O 3.38Å; P148-A219 HydrophobicContact CB-CB 4.35Å; P148-A219 HydrophobicContact CG-CB 4.17Å; P148-C228 HydrophobicContact CG-CB 4.04Å; P148-C228 WeakPolarHBondContact O-CB 3.45Å; P148-C228 PolarHBondContact O-SG 2.94Å; P148-C228 VanDerWaalsContact O-SG 3.4Å
149L98Very high96.3Very high121 Ų12147.9 Ų47.963%0.63430%0.298SS*.EExtended strand (participates in β ladder)trans-88.5120.2168.9-177.261.4000109.5C166 S167L149-C166 WeakPolarHBondContact O-CA 3.26Å; L149-S167 PolarHBondContact N-O 2.94Å; L149-S167 PolarHBondContact O-N 2.89Å; L149-S167 VanDerWaalsContact O-N 3.1Å
150C97.9Very high96Very high22 Ų2248 Ų4815%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-91.7138.7170.8-810000110.1R165 W179 C228 L230C150-R165 CarbonylContact C-O 3.6Å; C150-R165 WeakPolarHBondContact CA-O 3.22Å; C150-W179 HydrophobicContact CB-CH2 4.18Å; C150-W179 VanDerWaalsContact SG-CH2 3.53Å; C150-C228 VanDerWaalsContact CA-SG 3.54Å; C150-C228 HydrophobicContact CB-CB 3.85Å; C150-C228 WeakPolarHBondContact CB-SG 3.38Å; C150-C228 PolarHBondContact N-SG 3.43Å; C150-C228 WeakPolarHBondContact SG-CB 3.3Å; C150-C228 PolarHBondContact SG-O 2.99Å; C150-C228 CovalentContact SG-SG 2.04Å; C150-C228 PolarHBondContact SG-SG 3.41Å; C150-L230 HydrophobicContact CB-CB 4.07Å; C150-L230 HydrophobicContact CB-CD1 4.3Å
151S97.8Very high95.8Very high51 Ų5148.3 Ų48.336%0.35730%0.304SS..EExtended strand (participates in β ladder)trans-148.5161.4179.857.70000111.7L164 R165S151-L164 CarbonylContact O-C 3.3Å; S151-L164 WeakPolarHBondContact O-CA 3.39Å; S151-R165 PolarHBondContact N-O 2.98Å; S151-R165 PolarHBondContact O-N 2.9Å; S151-R165 PolarHBondContact OG-O 2.74Å
152Q96.9Very high95.7Very high78 Ų7848.5 Ų48.536%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-128.2145.8-179.4175.8-80.4-30.300109.8G154 T156 T162 A163 L164 L230Q152-G154 PolarHBondContact NE2-O 3.49Å; Q152-T156 HydrophobicContact CG-CG2 4.39Å; Q152-T162 WeakPolarHBondContact CG-OG1 3.2Å; Q152-T162 PolarHBondContact NE2-OG1 3.46Å; Q152-A163 WeakPolarHBondContact CA-O 3.33Å; Q152-L164 HydrophobicContact CB-CD2 3.98Å; Q152-L164 HydrophobicContact CG-CD2 3.85Å; Q152-L230 HydrophobicContact CB-CD1 3.93Å; Q152-L230 HydrophobicContact CB-CD2 4.22Å
153S97Very high95.6Very high70 Ų7048.7 Ų48.749%0.4931%0.308SS..EExtended strand (participates in β ladder)trans-148.2158.5170.368.40000112.1T162 A163S153-T162 CarbonylContact O-C 3.54Å; S153-T162 VanDerWaalsContact O-CA 3.23Å; S153-T162 WeakPolarHBondContact O-CA 3.44Å; S153-T162 WeakPolarHBondContact O-CB 3.29Å; S153-T162 PolarHBondContact O-OG1 3.18Å; S153-A163 PolarHBondContact N-O 3.08Å; S153-A163 PolarHBondContact O-N 3.17Å
154G94.6Very high95.5Very high59 Ų5948.2 Ų48.261%0.60831%0.306SS*.EExtended strand (participates in β ladder)trans93.4-168.5-174.600000113.6Q152 S161Q152-G154 PolarHBondContact NE2-O 3.49Å; G154-S161 CarbonylContact C-O 3.56Å
155Q93.7Very high95.5Very high119 Ų11951.2 Ų51.256%0.55631%0.309SS*.  trans-95.2117.3-168.8178.9175.5-100111.5S157 S161 L207Q155-S157 PolarHBondContact NE2-OG 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å; Q155-S161 PolarHBondContact N-O 2.95Å; Q155-S161 CarbonylContact O-C 3.53Å; Q155-S161 PolarHBondContact O-N 3.42Å; Q155-L207 VanDerWaalsContact O-CD1 3.27Å; Q155-L207 WeakPolarHBondContact O-CD1 3.4Å
156T93.9Very high95.5Very high44 Ų4450.7 Ų50.727%0.2731%0.306SS..  trans-97.534.8179.264.70000113.2Q152 L232 S233 V234 T235Q152-T156 HydrophobicContact CG-CG2 4.39Å; T156-L232 HydrophobicContact CG2-CD1 3.69Å; T156-S233 WeakPolarHBondContact CB-O 3.45Å; T156-V234 VanDerWaalsContact O-CA 3.27Å; T156-V234 WeakPolarHBondContact O-CA 3.35Å; T156-T235 PolarHBondContact O-N 3.32Å
157S93.5Very high95.5Very high16 Ų1652.1 Ų52.111%0.11232%0.315CS..BIsolated β-bridgetrans-98.6162.7169.672.60000111.1Q155 G159 G160 T235Q155-S157 PolarHBondContact NE2-OG 3.28Å; Q155-S157 PolarHBondContact O-N 3.15Å; S157-G159 PolarHBondContact O-N 3.45Å; S157-G160 VanDerWaalsContact O-CA 3.3Å; S157-G160 WeakPolarHBondContact O-CA 3.3Å; S157-G160 PolarHBondContact O-N 2.89Å; S157-T235 CarbonylContact C-O 3.6Å; S157-T235 WeakPolarHBondContact CA-O 3.45Å
158V91.3Very high95.5Very high56 Ų5646.1 Ų46.134%0.33929%0.285SS..THydrogen-bonded Turntrans-53.5138.5168.7177.50000110.2G160 L207 L209 V234 T235 E236V158-G160 PolarHBondContact O-N 2.97Å; V158-L207 CarbonylContact C-O 3.6Å; V158-L207 WeakPolarHBondContact CA-O 3.15Å; V158-L209 HydrophobicContact CG2-CD2 3.87Å; V158-L209 HydrophobicContact CG2-CG 4.03Å; V158-V234 HydrophobicContact CG2-CG1 4.06Å; V158-T235 PolarHBondContact N-O 2.87Å; V158-E236 HydrophobicContact CG2-CG 4.18Å
159G89.6Confident95.4Very high47 Ų4750.6 Ų50.649%0.48532%0.316SS..THydrogen-bonded Turntrans72.6-8-170.700000114.9S157 L207S157-G159 PolarHBondContact O-N 3.45Å; G159-L207 PolarHBondContact N-O 2.87Å
160G91.2Very high95.2Very high4 Ų450.1 Ų50.14%0.04131%0.311CS..  trans-74.2-175.6-177.500000114.3S157 V158 N206 L207S157-G160 VanDerWaalsContact O-CA 3.3Å; S157-G160 WeakPolarHBondContact O-CA 3.3Å; S157-G160 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 2.97Å; G160-N206 PolarHBondContact O-N 3.14Å; G160-L207 PolarHBondContact O-N 2.9Å; G160-L207 VanDerWaalsContact O-N 3.07Å
161S93.6Very high95.1Very high56 Ų5650 Ų5039%0.39231%0.313SS..EExtended strand (participates in β ladder)trans-145.3133.6-179-650000110.7G154 Q155 L204 T205G154-S161 CarbonylContact C-O 3.56Å; Q155-S161 PolarHBondContact N-O 2.95Å; Q155-S161 CarbonylContact O-C 3.53Å; Q155-S161 PolarHBondContact O-N 3.42Å; S161-L204 CarbonylContact C-O 3.4Å; S161-L204 WeakPolarHBondContact CA-O 3.4Å; S161-T205 WeakPolarHBondContact OG-CB 3.41Å; S161-T205 WeakPolarHBondContact OG-CG2 3.38Å
162T94.8Very high95Very high4 Ų448.7 Ų48.73%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-140.7148.7-176.1-169.20000111.2Q152 S153 L204 L207 L232Q152-T162 WeakPolarHBondContact CG-OG1 3.2Å; Q152-T162 PolarHBondContact NE2-OG1 3.46Å; S153-T162 CarbonylContact O-C 3.54Å; S153-T162 VanDerWaalsContact O-CA 3.23Å; S153-T162 WeakPolarHBondContact O-CA 3.44Å; S153-T162 WeakPolarHBondContact O-CB 3.29Å; S153-T162 PolarHBondContact O-OG1 3.18Å; T162-L204 HydrophobicContact CG2-CB 4.06Å; T162-L204 HydrophobicContact CG2-CD1 4.23Å; T162-L204 PolarHBondContact N-O 2.94Å; T162-L204 PolarHBondContact O-N 3.37Å; T162-L204 VanDerWaalsContact O-O 3.12Å; T162-L207 HydrophobicContact CG2-CD1 3.85Å; T162-L207 HydrophobicContact CG2-CD2 4.18Å; T162-L232 HydrophobicContact CG2-CD1 4.2Å; T162-L232 HydrophobicContact CG2-CD2 4.29Å
163A96.2Very high94.9Very high15 Ų1547.8 Ų47.812%0.12431%0.306CS..EExtended strand (participates in β ladder)trans-110.2129.6168.200000109.5Q152 S153 Q201 L202Q152-A163 WeakPolarHBondContact CA-O 3.33Å; S153-A163 PolarHBondContact N-O 3.08Å; S153-A163 PolarHBondContact O-N 3.17Å; A163-Q201 HydrophobicContact CB-CG 4.16Å; A163-L202 CarbonylContact C-O 3.55Å; A163-L202 WeakPolarHBondContact CA-O 2.97Å
164L97Very high94.9Very high0 Ų053.4 Ų53.40%032%0.322CS..EExtended strand (participates in β ladder)trans-91.2139.3163-48.1-170.6000107.8S151 Q152 W179 Q201 L202 L204 Y215 L230S151-L164 CarbonylContact O-C 3.3Å; S151-L164 WeakPolarHBondContact O-CA 3.39Å; Q152-L164 HydrophobicContact CB-CD2 3.98Å; Q152-L164 HydrophobicContact CG-CD2 3.85Å; L164-W179 HydrophobicContact CB-CH2 3.78Å; L164-W179 HydrophobicContact CB-CZ2 3.64Å; L164-W179 HydrophobicContact CB-CZ3 4.35Å; L164-W179 HydrophobicContact CD1-CE3 4.38Å; L164-W179 HydrophobicContact CD1-CH2 4.29Å; L164-W179 HydrophobicContact CD1-CZ3 4.08Å; L164-Q201 CarbonylContact O-C 3.54Å; L164-Q201 WeakPolarHBondContact O-CA 3.36Å; L164-L202 HydrophobicContact CB-CB 4.42Å; L164-L202 HydrophobicContact CD1-CD2 4.45Å; L164-L202 PolarHBondContact N-O 3.48Å; L164-L202 PolarHBondContact O-N 2.9Å; L164-L204 HydrophobicContact CD1-CD1 4.43Å; L164-L204 HydrophobicContact CG-CD1 4.45Å; L164-Y215 HydrophobicContact CD1-CD1 3.87Å; L164-Y215 HydrophobicContact CD1-CD2 4.04Å; L164-Y215 HydrophobicContact CD1-CG 3.6Å; L164-L230 HydrophobicContact CD1-CD2 4.38Å; L164-L230 HydrophobicContact CD2-CD2 3.85Å
165R97.6Very high95Very high123 Ų12351.2 Ų51.246%0.46430%0.297SS..EExtended strand (participates in β ladder)trans-131.7133.1179.7-171.4177-162.5156.410.2111.6C150 S151 G200C150-R165 CarbonylContact C-O 3.6Å; C150-R165 WeakPolarHBondContact CA-O 3.22Å; S151-R165 PolarHBondContact N-O 2.98Å; S151-R165 PolarHBondContact O-N 2.9Å; S151-R165 PolarHBondContact OG-O 2.74Å; R165-G200 WeakPolarHBondContact CA-O 3.43Å
166C97.4Very high95.2Very high0 Ų049 Ų490%029%0.292CS..EExtended strand (participates in β ladder)trans-119.5136.2179.9-175.30000109.7L149 Y177 W179 G200 C217L149-C166 WeakPolarHBondContact O-CA 3.26Å; C166-Y177 HydrophobicContact CB-CD1 4.12Å; C166-Y177 VanDerWaalsContact SG-CD1 3.51Å; C166-W179 HydrophobicContact CB-CZ2 3.68Å; C166-G200 PolarHBondContact N-O 3.05Å; C166-C217 HydrophobicContact CB-CB 3.59Å; C166-C217 WeakPolarHBondContact CB-SG 3.15Å; C166-C217 WeakPolarHBondContact SG-CB 3.29Å; C166-C217 CovalentContact SG-SG 2.02Å; C166-C217 PolarHBondContact SG-SG 2.83Å
167S97.3Very high95.4Very high53 Ų5347.9 Ų47.937%0.37128%0.283SS..EExtended strand (participates in β ladder)trans-156130.5176.857.20000112.9P148 L149P148-S167 WeakPolarHBondContact CA-O 3.38Å; L149-S167 PolarHBondContact N-O 2.94Å; L149-S167 PolarHBondContact O-N 2.89Å; L149-S167 VanDerWaalsContact O-N 3.1Å
168S97.7Very high95.5Very high20 Ų2050.6 Ų50.614%0.1430%0.296CS..  trans-91.4143.6171.4-34.10000109.9E170 Y177 A219S168-E170 WeakPolarHBondContact CB-O 3.49Å; S168-Y177 PolarHBondContact N-OH 3.02Å; S168-Y177 PolarHBondContact OG-OH 2.99Å; S168-A219 WeakPolarHBondContact OG-CB 3.44Å
169S95.8Very high95.7Very high104 Ų10448.6 Ų48.673%0.72728%0.282SS*.SBendtrans-72.9-29.7172.757.20000112.9S146S146-S169 PolarHBondContact OG-N 3.02Å; S146-S169 PolarHBondContact OG-OG 2.85Å
170E94.7Very high95.8Very high112 Ų11249.2 Ų49.252%0.52328%0.276SS..  trans-132.8159.3-173.7-65.8165.6-126.100110.3P145 S146 S168P145-E170 WeakPolarHBondContact CA-O 3.49Å; S146-E170 PolarHBondContact N-O 2.95Å; S146-E170 VanDerWaalsContact N-O 3.14Å; S146-E170 PolarHBondContact OG-N 3.41Å; S168-E170 WeakPolarHBondContact CB-O 3.49Å
171G95.8Very high95.7Very high18 Ų1852 Ų5219%0.18629%0.286CS..  trans145.5115.7-178.500000110.5V143 P173V143-G171 WeakPolarHBondContact O-CA 3.5Å; G171-P173 CarbonylContact C-O 3.52Å; G171-P173 CarbonylContact O-C 3.51Å
172A95.9Very high95.4Very high24 Ų2451.9 Ų51.920%0.19828%0.28CS..BIsolated β-bridgetrans-131.6112.917800000109.6V141 L142 V143 N221V141-A172 WeakPolarHBondContact O-CB 3.09Å; L142-A172 CarbonylContact C-O 3.59Å; L142-A172 VanDerWaalsContact CA-O 3.3Å; L142-A172 WeakPolarHBondContact CA-O 3.34Å; V143-A172 HydrophobicContact CB-CB 4.12Å; V143-A172 HydrophobicContact CG2-CB 4.13Å; V143-A172 PolarHBondContact N-O 3.41Å; V143-A172 PolarHBondContact O-N 2.57Å; A172-N221 PolarHBondContact N-ND2 2.99Å
173P95.5Very high94.4Very high59 Ų5955.8 Ų55.838%0.38332%0.322SS..SBendcis-62.2164.7-1.6-17.933.4000112.4G171 N221 Q222G171-P173 CarbonylContact C-O 3.52Å; G171-P173 CarbonylContact O-C 3.51Å; P173-N221 PolarHBondContact O-ND2 3.28Å; P173-Q222 HydrophobicContact CG-CG 4.35Å
174K95.4Very high92.9Very high189 Ų18956.4 Ų56.482%0.82233%0.325SS*.PPolyproline II helixtrans-53.6132.7176.5-71.5-173.1177-177.80110
175P97.7Very high90.7Very high12 Ų1266.2 Ų66.28%0.07837%0.368CS..PPolyproline II helixtrans-70.7149.2-178.928.4-34.1000112P145 Y177 A219 T220 N221P145-P175 HydrophobicContact CB-CB 4.14Å; P145-P175 HydrophobicContact CB-CG 4.31Å; P145-P175 HydrophobicContact CG-CB 3.99Å; P175-Y177 HydrophobicContact CG-CE1 4.3Å; P175-Y177 HydrophobicContact CG-CE2 4.28Å; P175-Y177 WeakPolarHBondContact O-CE2 3.44Å; P175-A219 HydrophobicContact CB-CB 4.18Å; P175-A219 HydrophobicContact CG-CB 4.46Å; P175-T220 CarbonylContact C-O 3.57Å; P175-T220 WeakPolarHBondContact CA-O 3.05Å; P175-T220 WeakPolarHBondContact CB-O 3.05Å; P175-N221 HydrophobicContact CB-CB 4.49Å
176V98Very high88.6Confident73 Ų7365.6 Ų65.644%0.44238%0.38SS..EExtended strand (participates in β ladder)trans-88.7149.3161.1-66.40000109.5E197 A219 T220V176-E197 CarbonylContact C-O 3.36Å; V176-E197 WeakPolarHBondContact CA-O 3.31Å; V176-E197 HydrophobicContact CB-CB 4.48Å; V176-A219 CarbonylContact O-C 3.56Å; V176-A219 WeakPolarHBondContact O-CA 3.17Å; V176-T220 PolarHBondContact N-O 2.72Å; V176-T220 PolarHBondContact O-N 2.86Å
177Y97.8Very high86.3Confident21 Ų2170.8 Ų70.88%0.08241%0.412CS..EExtended strand (participates in β ladder)trans-119.9120.2-171.7-62.4-83.6000111.2C166 S168 P175 E197 V218 A219C166-Y177 HydrophobicContact CB-CD1 4.12Å; C166-Y177 VanDerWaalsContact SG-CD1 3.51Å; S168-Y177 PolarHBondContact N-OH 3.02Å; S168-Y177 PolarHBondContact OG-OH 2.99Å; P175-Y177 HydrophobicContact CG-CE1 4.3Å; P175-Y177 HydrophobicContact CG-CE2 4.28Å; P175-Y177 WeakPolarHBondContact O-CE2 3.44Å; Y177-E197 WeakPolarHBondContact CD2-O 3.5Å; Y177-E197 PolarHBondContact N-O 3.45Å; Y177-E197 WeakPolarHBondContact O-CA 3.31Å; Y177-V218 WeakPolarHBondContact CA-O 3.03Å; Y177-A219 HydrophobicContact CD1-CB 3.62Å; Y177-A219 HydrophobicContact CE1-CB 3.53Å
178N96.3Very high84.2Confident73 Ų7370 Ų7039%0.3941%0.405SS..EExtended strand (participates in β ladder)trans-110.1129.3174.3-17119000111.3Q195 C217 V218N178-Q195 PolarHBondContact OD1-NE2 3.4Å; N178-C217 CarbonylContact O-C 3.15Å; N178-C217 WeakPolarHBondContact O-CA 3.46Å; N178-V218 PolarHBondContact N-O 2.8Å; N178-V218 PolarHBondContact O-N 2.03Å
179W95.1Very high82Confident13 Ų1373.6 Ų73.65%0.04943%0.43CS..EExtended strand (participates in β ladder)trans-100.9130.8174.3-77.397.4000111.3C150 L164 C166 Q195 G200 L202 R216 C217C150-W179 HydrophobicContact CB-CH2 4.18Å; C150-W179 VanDerWaalsContact SG-CH2 3.53Å; L164-W179 HydrophobicContact CB-CH2 3.78Å; L164-W179 HydrophobicContact CB-CZ2 3.64Å; L164-W179 HydrophobicContact CB-CZ3 4.35Å; L164-W179 HydrophobicContact CD1-CE3 4.38Å; L164-W179 HydrophobicContact CD1-CH2 4.29Å; L164-W179 HydrophobicContact CD1-CZ3 4.08Å; C166-W179 HydrophobicContact CB-CZ2 3.68Å; W179-Q195 VanDerWaalsContact N-OE1 3.13Å; W179-Q195 PolarHBondContact O-OE1 3.06Å; W179-G200 PolarHBondContact NE1-O 3.03Å; W179-L202 HydrophobicContact CB-CB 4.12Å; W179-L202 HydrophobicContact CB-CD2 3.73Å; W179-L202 HydrophobicContact CB-CG 4.47Å; W179-L202 HydrophobicContact CD2-CB 4.31Å; W179-L202 HydrophobicContact CG-CB 3.78Å; W179-L202 HydrophobicContact CG-CD2 4.09Å; W179-R216 WeakPolarHBondContact CA-O 3.26Å; W179-C217 HydrophobicContact CD2-CB 3.82Å; W179-C217 HydrophobicContact CE3-CB 3.84Å; W179-C217 HydrophobicContact CH2-CB 4.06Å; W179-C217 HydrophobicContact CZ2-CB 4.02Å; W179-C217 HydrophobicContact CZ3-CB 3.96Å
180V90.9Very high79.7Confident60 Ų6075.5 Ų75.536%0.36444%0.44SS..EExtended strand (participates in β ladder)trans-128.7140.2174.6-61.70000110.6L182 Y215 R216V180-L182 HydrophobicContact CG2-CD2 4.31Å; V180-Y215 CarbonylContact O-C 3.45Å; V180-Y215 WeakPolarHBondContact O-CA 3.26Å; V180-R216 HydrophobicContact CG2-CB 4.05Å; V180-R216 PolarHBondContact N-O 2.94Å; V180-R216 PolarHBondContact O-N 2.89Å
181R88.5Confident77.7Confident63 Ų6372.5 Ų72.524%0.23844%0.439CS..EExtended strand (participates in β ladder)trans-85.8127.8171.1-174.2176.2172.1-170.10.9109.5S184 T210 S212 Y215R181-S184 VanDerWaalsContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CG-OG 3.44Å; R181-T210 PolarHBondContact NH1-O 2.94Å; R181-T210 PolarHBondContact NH2-O 3.49Å; R181-S212 PolarHBondContact NH2-O 3.46Å; R181-Y215 HydrophobicContact CB-CD1 4.18Å; R181-Y215 HydrophobicContact CB-CE1 4.07Å; R181-Y215 HydrophobicContact CG-CE1 4.35Å; R181-Y215 HydrophobicContact CG-CE2 4.37Å
182L87.4Confident76.4Confident53 Ų5374.8 Ų74.828%0.27745%0.452SS..SBendtrans-80.9142.8179.7-57.1-176.4000110.9V180 S184 T214 R216 E229V180-L182 HydrophobicContact CG2-CD2 4.31Å; L182-S184 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact O-N 3.13Å; L182-T214 HydrophobicContact CD1-CG2 4.01Å; L182-T214 PolarHBondContact N-O 2.96Å; L182-R216 HydrophobicContact CD1-CB 4.17Å; L182-R216 HydrophobicContact CD2-CB 3.93Å; L182-R216 HydrophobicContact CG-CB 4.07Å; L182-E229 HydrophobicContact CD1-CG 4.33Å
183G74.8Confident75.8Confident87 Ų8777.2 Ų77.290%0.89746%0.46SS*.SBendtrans74.5-9.4172.100000116.9
184S63.8Low75.5Confident27 Ų2778.6 Ų78.619%0.18947%0.468CS..  trans-93.7104179.161.50000112.6R181 L182 P186R181-S184 VanDerWaalsContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CD-OG 3.32Å; R181-S184 WeakPolarHBondContact CG-OG 3.44Å; L182-S184 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact O-N 3.13Å; S184-P186 CarbonylContact C-O 3.6Å; S184-P186 CarbonylContact O-C 3.51Å
185F50.7Low75.4Confident207 Ų20772.6 Ų72.691%0.90844%0.443SS*.SBendtrans-112.9131.9157.2-81.7-83.5000109.1
186P53.2Low75.2Confident109 Ų10975.3 Ų75.371%0.70846%0.457SS*.SBendcis-66169.2-8.331.4-36.7000112.5S184S184-P186 CarbonylContact C-O 3.6Å; S184-P186 CarbonylContact O-C 3.51Å
187T51.1Low75.1Confident110 Ų11076.7 Ų76.768%0.67546%0.458SS*.PPolyproline II helixtrans-50.8149163.9-20000110.2S189T187-S189 PolarHBondContact O-N 3.42Å
188P51.8Low75Confident35 Ų3581.5 Ų81.523%0.22749%0.489CS..PPolyproline II helixtrans-53138.9173.8-23.733.5000110.9M193P188-M193 HydrophobicContact CB-CE 3.82Å; P188-M193 HydrophobicContact CB-SD 3.88Å; P188-M193 HydrophobicContact CG-CE 4.09Å; P188-M193 HydrophobicContact CG-SD 3.97Å
189S50.8Low74.9Confident96 Ų9679.7 Ų79.767%0.67148%0.483SS*.PPolyproline II helixtrans-49.4142.3-17849.70000111.7T187 G191T187-S189 PolarHBondContact O-N 3.42Å; S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 2.81Å
190P48.2Very low75Confident145 Ų14579.1 Ų79.194%0.94248%0.48SS*.SBendtrans-65.688.1-177.427.4-35.2000111.2
191G52.5Low75.2Confident48 Ų4879 Ų7950%0.49548%0.476SS..SBendtrans-158.3101-177.100000109S189 M193S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 2.81Å; G191-M193 PolarHBondContact O-N 2.88Å
192S69.6Low75.6Confident66 Ų6676.4 Ų76.446%0.46247%0.467SS..SBendtrans61.633.2165.5-105.90000117.5T205S192-T205 WeakPolarHBondContact CB-OG1 3.45Å; S192-T205 PolarHBondContact O-N 2.95Å; S192-T205 VanDerWaalsContact O-N 3.07Å; S192-T205 PolarHBondContact OG-OG1 3.48Å
193M83.2Confident75.9Confident75 Ų7576.8 Ų76.837%0.36947%0.468SS..EExtended strand (participates in β ladder)trans-97.5125.7156.6-57-164.8-64.600108.9P188 G191 L202 I203 L204P188-M193 HydrophobicContact CB-CE 3.82Å; P188-M193 HydrophobicContact CB-SD 3.88Å; P188-M193 HydrophobicContact CG-CE 4.09Å; P188-M193 HydrophobicContact CG-SD 3.97Å; G191-M193 PolarHBondContact O-N 2.88Å; M193-L202 HydrophobicContact CB-CD1 4.38Å; M193-I203 WeakPolarHBondContact CA-O 3.44Å; M193-L204 HydrophobicContact CB-CD2 4.15Å; M193-L204 HydrophobicContact CG-CD2 3.6Å; M193-L204 HydrophobicContact SD-CD2 3.9Å
194V88.9Confident76.8Confident89 Ų8973 Ų7354%0.53943%0.427SS..EExtended strand (participates in β ladder)trans-131.6123.6177.4-178.80000109.3L202 I203V194-L202 CarbonylContact O-C 3.38Å; V194-L202 WeakPolarHBondContact O-CA 3.46Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 3.49Å; V194-I203 PolarHBondContact O-N 3.19Å
195Q92.7Very high78.2Confident63 Ų6373.8 Ų73.829%0.29443%0.431SS..EExtended strand (participates in β ladder)trans-112.8135-178-177.1171.6-62.300111N178 W179 Q201 L202N178-Q195 PolarHBondContact OD1-NE2 3.4Å; W179-Q195 VanDerWaalsContact N-OE1 3.13Å; W179-Q195 PolarHBondContact O-OE1 3.06Å; Q195-Q201 CarbonylContact C-O 3.6Å; Q195-Q201 WeakPolarHBondContact CA-O 3.36Å; Q195-L202 HydrophobicContact CB-CD1 4.25Å
196D94.5Very high80.1Confident69 Ų6970 Ų7037%0.36942%0.421SS..EExtended strand (participates in β ladder)trans-115107.2169.1172.5-2.6000108.5V198 S199 G200 Q201D196-V198 PolarHBondContact O-N 3.15Å; D196-V198 WeakPolarHBondContact OD1-CA 3.43Å; D196-V198 WeakPolarHBondContact OD1-CB 3.21Å; D196-V198 PolarHBondContact OD1-N 2.97Å; D196-S199 PolarHBondContact OD1-N 2.85Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 3.09Å; D196-G200 WeakPolarHBondContact O-CA 3.21Å; D196-G200 PolarHBondContact O-N 2.8Å; D196-Q201 PolarHBondContact N-O 2.93Å; D196-Q201 PolarHBondContact O-N 3.33Å
197E95.3Very high81.8Confident102 Ų10265 Ų6548%0.47739%0.388SS..THydrogen-bonded Turntrans-70.5-14.7-177.8-54.6-171.1148.100113.5V176 Y177V176-E197 CarbonylContact C-O 3.36Å; V176-E197 WeakPolarHBondContact CA-O 3.31Å; V176-E197 HydrophobicContact CB-CB 4.48Å; Y177-E197 WeakPolarHBondContact CD2-O 3.5Å; Y177-E197 PolarHBondContact N-O 3.45Å; Y177-E197 WeakPolarHBondContact O-CA 3.31Å
198V95.1Very high83.6Confident121 Ų12161.7 Ų61.773%0.73337%0.369SS*.THydrogen-bonded Turntrans-95.1-40.2-177.8-176.60000111.1D196D196-V198 PolarHBondContact O-N 3.15Å; D196-V198 WeakPolarHBondContact OD1-CA 3.43Å; D196-V198 WeakPolarHBondContact OD1-CB 3.21Å; D196-V198 PolarHBondContact OD1-N 2.97Å
199S95.2Very high85.4Confident36 Ų3664.2 Ų64.225%0.25238%0.38SS..THydrogen-bonded Turntrans-88.5-9.5174.978.40000114.6D196 Q201D196-S199 PolarHBondContact OD1-N 2.85Å; D196-S199 WeakPolarHBondContact OD2-CB 3.33Å; D196-S199 PolarHBondContact OD2-OG 3.09Å; S199-Q201 VanDerWaalsContact C-N 3.34Å
200G96.1Very high87Confident0 Ų064.9 Ų64.90%038%0.38CS..THydrogen-bonded Turntrans74.121.9-179.800000114.1R165 C166 W179 D196R165-G200 WeakPolarHBondContact CA-O 3.43Å; C166-G200 PolarHBondContact N-O 3.05Å; W179-G200 PolarHBondContact NE1-O 3.03Å; D196-G200 WeakPolarHBondContact O-CA 3.21Å; D196-G200 PolarHBondContact O-N 2.8Å
201Q96.1Very high88.9Confident58 Ų5859 Ų5927%0.27134%0.342SS..EExtended strand (participates in β ladder)trans-98.4135.3-174.9-175.11659500112.1A163 L164 Q195 D196 S199 I203A163-Q201 HydrophobicContact CB-CG 4.16Å; L164-Q201 CarbonylContact O-C 3.54Å; L164-Q201 WeakPolarHBondContact O-CA 3.36Å; Q195-Q201 CarbonylContact C-O 3.6Å; Q195-Q201 WeakPolarHBondContact CA-O 3.36Å; D196-Q201 PolarHBondContact N-O 2.93Å; D196-Q201 PolarHBondContact O-N 3.33Å; S199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-I203 HydrophobicContact CG-CG1 3.94Å
202L95.8Very high90.7Very high9 Ų958.3 Ų58.35%0.04733%0.33CS..EExtended strand (participates in β ladder)trans-117.7111.3163.817263.2000108.5A163 L164 W179 M193 V194 Q195 L204 Y215A163-L202 CarbonylContact C-O 3.55Å; A163-L202 WeakPolarHBondContact CA-O 2.97Å; L164-L202 HydrophobicContact CB-CB 4.42Å; L164-L202 HydrophobicContact CD1-CD2 4.45Å; L164-L202 PolarHBondContact N-O 3.48Å; L164-L202 PolarHBondContact O-N 2.9Å; W179-L202 HydrophobicContact CB-CB 4.12Å; W179-L202 HydrophobicContact CB-CD2 3.73Å; W179-L202 HydrophobicContact CB-CG 4.47Å; W179-L202 HydrophobicContact CD2-CB 4.31Å; W179-L202 HydrophobicContact CG-CB 3.78Å; W179-L202 HydrophobicContact CG-CD2 4.09Å; M193-L202 HydrophobicContact CB-CD1 4.38Å; V194-L202 CarbonylContact O-C 3.38Å; V194-L202 WeakPolarHBondContact O-CA 3.46Å; Q195-L202 HydrophobicContact CB-CD1 4.25Å; L202-L204 HydrophobicContact CD1-CD2 4.11Å; L202-L204 HydrophobicContact CD2-CD2 4.08Å; L202-L204 HydrophobicContact CG-CD2 3.94Å; L202-L204 HydrophobicContact CG-CG 4.24Å; L202-Y215 HydrophobicContact CD2-CD1 3.81Å; L202-Y215 HydrophobicContact CD2-CE1 3.94Å
203I94.8Very high91.7Very high61 Ų6156.2 Ų56.231%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-87.4131.3173.7-50.7178.3000108.4M193 V194 Q201 T205M193-I203 WeakPolarHBondContact CA-O 3.44Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 3.49Å; V194-I203 PolarHBondContact O-N 3.19Å; Q201-I203 HydrophobicContact CG-CG1 3.94Å; I203-T205 HydrophobicContact CG2-CG2 3.84Å
204L93.3Very high92.2Very high6 Ų654.6 Ų54.63%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-123.5122.9174.1-55.7174.2000108.1S161 T162 L164 M193 L202 L207 Y215 L232S161-L204 CarbonylContact C-O 3.4Å; S161-L204 WeakPolarHBondContact CA-O 3.4Å; T162-L204 HydrophobicContact CG2-CB 4.06Å; T162-L204 HydrophobicContact CG2-CD1 4.23Å; T162-L204 PolarHBondContact N-O 2.94Å; T162-L204 PolarHBondContact O-N 3.37Å; T162-L204 VanDerWaalsContact O-O 3.12Å; L164-L204 HydrophobicContact CD1-CD1 4.43Å; L164-L204 HydrophobicContact CG-CD1 4.45Å; M193-L204 HydrophobicContact CB-CD2 4.15Å; M193-L204 HydrophobicContact CG-CD2 3.6Å; M193-L204 HydrophobicContact SD-CD2 3.9Å; L202-L204 HydrophobicContact CD1-CD2 4.11Å; L202-L204 HydrophobicContact CD2-CD2 4.08Å; L202-L204 HydrophobicContact CG-CD2 3.94Å; L202-L204 HydrophobicContact CG-CG 4.24Å; L204-L207 HydrophobicContact CB-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD2 4.47Å; L204-Y215 HydrophobicContact CD1-CE1 4.06Å; L204-Y215 HydrophobicContact CD1-CE2 4.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.49Å; L204-L232 HydrophobicContact CD1-CD2 3.64Å
205T92.6Very high92.4Very high45 Ų4550.6 Ų50.628%0.27629%0.289SS..EExtended strand (participates in β ladder)trans-128.4158.817775.50000112.2S161 S192 I203S161-T205 WeakPolarHBondContact OG-CB 3.41Å; S161-T205 WeakPolarHBondContact OG-CG2 3.38Å; S192-T205 WeakPolarHBondContact CB-OG1 3.45Å; S192-T205 PolarHBondContact O-N 2.95Å; S192-T205 VanDerWaalsContact O-N 3.07Å; S192-T205 PolarHBondContact OG-OG1 3.48Å; I203-T205 HydrophobicContact CG2-CG2 3.84Å
206N90.4Very high92.6Very high127 Ų12751.9 Ų51.968%0.67929%0.291SS*.SBendtrans55.851.9-169.3-168.430.9000112.5G160G160-N206 PolarHBondContact O-N 3.14Å
207L90.4Very high92.7Very high5 Ų548.6 Ų48.63%0.02627%0.273CS..  trans-58145.5-176.8-68.1173.8000113Q155 V158 G159 G160 T162 L204 L232 V234Q155-L207 VanDerWaalsContact O-CD1 3.27Å; Q155-L207 WeakPolarHBondContact O-CD1 3.4Å; V158-L207 CarbonylContact C-O 3.6Å; V158-L207 WeakPolarHBondContact CA-O 3.15Å; G159-L207 PolarHBondContact N-O 2.87Å; G160-L207 PolarHBondContact O-N 2.9Å; G160-L207 VanDerWaalsContact O-N 3.07Å; T162-L207 HydrophobicContact CG2-CD1 3.85Å; T162-L207 HydrophobicContact CG2-CD2 4.18Å; L204-L207 HydrophobicContact CB-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD2 4.47Å; L207-L232 HydrophobicContact CD2-CD2 4.34Å; L207-V234 HydrophobicContact CB-CG1 4.03Å; L207-V234 HydrophobicContact CB-CG2 4.28Å; L207-V234 HydrophobicContact CD1-CG2 4.22Å; L207-V234 HydrophobicContact CD2-CG2 4.39Å
208S89.3Confident92.8Very high39 Ų3945.5 Ų45.527%0.27326%0.261SS..  trans-121.8167.1171.965.70000110.5T210 S211 V234S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 PolarHBondContact OG-N 2.74Å; S208-T210 PolarHBondContact OG-OG1 2.91Å; S208-S211 PolarHBondContact N-OG 2.84Å; S208-S211 VanDerWaalsContact O-CB 3.25Å; S208-S211 WeakPolarHBondContact O-CB 3.36Å; S208-S211 PolarHBondContact O-N 3.45Å; S208-S211 PolarHBondContact O-OG 2.74Å; S208-S211 PolarHBondContact OG-N 2.79Å; S208-S211 VanDerWaalsContact OG-N 3.17Å; S208-S211 PolarHBondContact OG-OG 2.68Å; S208-V234 WeakPolarHBondContact O-CB 3.43Å; S208-V234 WeakPolarHBondContact O-CG1 3.47Å
209L87.7Confident93Very high88 Ų8839.8 Ų39.846%0.46123%0.227SC..G310 helixtrans-55.2-35.8168.3-63.1-178.4000111.5V158 S211 S212 V234 E236V158-L209 HydrophobicContact CG2-CD2 3.87Å; V158-L209 HydrophobicContact CG2-CG 4.03Å; L209-S211 PolarHBondContact O-N 2.84Å; L209-S212 VanDerWaalsContact O-CB 3.28Å; L209-S212 WeakPolarHBondContact O-CB 3.31Å; L209-S212 PolarHBondContact O-N 2.88Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 2.91Å; L209-V234 VanDerWaalsContact CD2-O 3.25Å; L209-V234 WeakPolarHBondContact CD2-O 3.45Å; L209-E236 HydrophobicContact CD1-CG 4.31Å; L209-E236 HydrophobicContact CD2-CG 4.1Å; L209-E236 HydrophobicContact CG-CG 4.49Å
210T85.8Confident93.1Very high110 Ų11040.7 Ų40.768%0.67523%0.231SC*.G310 helixtrans-72.3-4.5175.756.90000114.4R181 S208 S212R181-T210 PolarHBondContact NH1-O 2.94Å; R181-T210 PolarHBondContact NH2-O 3.49Å; S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 PolarHBondContact OG-N 2.74Å; S208-T210 PolarHBondContact OG-OG1 2.91Å; T210-S212 VanDerWaalsContact C-N 3.34Å
211S87.1Confident93.2Very high21 Ų2141.7 Ų41.715%0.14724%0.236CC..G310 helixtrans-78.5-15.4165.3-48.10000113S208 L209 Y215S208-S211 PolarHBondContact N-OG 2.84Å; S208-S211 VanDerWaalsContact O-CB 3.25Å; S208-S211 WeakPolarHBondContact O-CB 3.36Å; S208-S211 PolarHBondContact O-N 3.45Å; S208-S211 PolarHBondContact O-OG 2.74Å; S208-S211 PolarHBondContact OG-N 2.79Å; S208-S211 VanDerWaalsContact OG-N 3.17Å; S208-S211 PolarHBondContact OG-OG 2.68Å; L209-S211 PolarHBondContact O-N 2.84Å; S211-Y215 PolarHBondContact O-OH 3.47Å
212S90.3Very high93.2Very high35 Ų3544.8 Ų44.825%0.24525%0.25CS..  trans-66.9141.7-179.5-49.90000112.6R181 L209 T210 L232 V234R181-S212 PolarHBondContact NH2-O 3.46Å; L209-S212 VanDerWaalsContact O-CB 3.28Å; L209-S212 WeakPolarHBondContact O-CB 3.31Å; L209-S212 PolarHBondContact O-N 2.88Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 2.91Å; T210-S212 VanDerWaalsContact C-N 3.34Å; S212-L232 CarbonylContact C-O 3.54Å; S212-L232 VanDerWaalsContact CA-O 3.28Å; S212-L232 WeakPolarHBondContact CA-O 3.47Å; S212-V234 WeakPolarHBondContact OG-CB 3.43Å; S212-V234 PolarHBondContact OG-N 3.08Å
213G90.4Very high93.3Very high22 Ų2247.9 Ų47.923%0.22727%0.266CS..EExtended strand (participates in β ladder)trans150.3-178.6176.700000113.3Y215 L232G213-Y215 WeakPolarHBondContact O-CD2 3.49Å; G213-L232 PolarHBondContact N-O 2.93Å; G213-L232 PolarHBondContact O-N 3.38Å
214T93.8Very high93.4Very high40 Ų4046.4 Ų46.425%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-84.5123.2179.8-470000111.3L182 E229L182-T214 HydrophobicContact CD1-CG2 4.01Å; L182-T214 PolarHBondContact N-O 2.96Å; T214-E229 HydrophobicContact CG2-CB 3.95Å; T214-E229 HydrophobicContact CG2-CG 4.26Å; T214-E229 WeakPolarHBondContact CG2-OE2 3.17Å
215Y94Very high93.7Very high6 Ų650.1 Ų50.12%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-103.9129.3171.8-71.7-104.6000108.6L164 V180 R181 L202 L204 S211 G213 E229 L230 L232L164-Y215 HydrophobicContact CD1-CD1 3.87Å; L164-Y215 HydrophobicContact CD1-CD2 4.04Å; L164-Y215 HydrophobicContact CD1-CG 3.6Å; V180-Y215 CarbonylContact O-C 3.45Å; V180-Y215 WeakPolarHBondContact O-CA 3.26Å; R181-Y215 HydrophobicContact CB-CD1 4.18Å; R181-Y215 HydrophobicContact CB-CE1 4.07Å; R181-Y215 HydrophobicContact CG-CE1 4.35Å; R181-Y215 HydrophobicContact CG-CE2 4.37Å; L202-Y215 HydrophobicContact CD2-CD1 3.81Å; L202-Y215 HydrophobicContact CD2-CE1 3.94Å; L204-Y215 HydrophobicContact CD1-CE1 4.06Å; L204-Y215 HydrophobicContact CD1-CE2 4.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.49Å; S211-Y215 PolarHBondContact O-OH 3.47Å; G213-Y215 WeakPolarHBondContact O-CD2 3.49Å; Y215-E229 CarbonylContact O-C 3.6Å; Y215-E229 WeakPolarHBondContact O-CA 3.43Å; Y215-L230 PolarHBondContact N-O 2.91Å; Y215-L230 PolarHBondContact O-N 3.29Å; Y215-L232 HydrophobicContact CD2-CB 4.03Å; Y215-L232 HydrophobicContact CE2-CB 3.92Å; Y215-L232 HydrophobicContact CE2-CD2 3.96Å
216R96Very high93.9Very high89 Ų8948.5 Ų48.534%0.33628%0.284SS..EExtended strand (participates in β ladder)trans-105.5127.1174.1-174.6-177.4-69.9160.1-2.6109.3W179 V180 L182 V218 C228 E229W179-R216 WeakPolarHBondContact CA-O 3.26Å; V180-R216 HydrophobicContact CG2-CB 4.05Å; V180-R216 PolarHBondContact N-O 2.94Å; V180-R216 PolarHBondContact O-N 2.89Å; L182-R216 HydrophobicContact CD1-CB 4.17Å; L182-R216 HydrophobicContact CD2-CB 3.93Å; L182-R216 HydrophobicContact CG-CB 4.07Å; R216-V218 HydrophobicContact CG-CG2 4.41Å; R216-C228 CarbonylContact C-O 3.52Å; R216-C228 VanDerWaalsContact CA-O 3.31Å; R216-C228 WeakPolarHBondContact CA-O 3.42Å; R216-E229 HydrophobicContact CB-CG 3.9Å; R216-E229 HydrophobicContact CG-CG 3.87Å; R216-E229 IonicContact CZ-OE1 3.13Å; R216-E229 IonicContact NE-OE1 2.77Å; R216-E229 PolarHBondContact NE-OE1 2.8Å; R216-E229 IonicContact NH2-OE1 2.67Å; R216-E229 PolarHBondContact NH2-OE1 2.89Å
217C97.4Very high94.3Very high0 Ų045.4 Ų45.40%027%0.272CS..EExtended strand (participates in β ladder)trans-91.4139.9163.3173.80000109.7C166 N178 W179 S227 C228C166-C217 HydrophobicContact CB-CB 3.59Å; C166-C217 WeakPolarHBondContact CB-SG 3.15Å; C166-C217 WeakPolarHBondContact SG-CB 3.29Å; C166-C217 CovalentContact SG-SG 2.02Å; C166-C217 PolarHBondContact SG-SG 2.83Å; N178-C217 CarbonylContact O-C 3.15Å; N178-C217 WeakPolarHBondContact O-CA 3.46Å; W179-C217 HydrophobicContact CD2-CB 3.82Å; W179-C217 HydrophobicContact CE3-CB 3.84Å; W179-C217 HydrophobicContact CH2-CB 4.06Å; W179-C217 HydrophobicContact CZ2-CB 4.02Å; W179-C217 HydrophobicContact CZ3-CB 3.96Å; C217-S227 CarbonylContact O-C 3.6Å; C217-S227 WeakPolarHBondContact O-CA 3.31Å; C217-S227 WeakPolarHBondContact O-CB 3.14Å; C217-C228 PolarHBondContact N-O 3.2Å; C217-C228 PolarHBondContact O-N 2.84Å
218V97.8Very high94.7Very high38 Ų3846 Ų4623%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-119.5112.1168.2-171.60000108.9Y177 N178 R216 A226Y177-V218 WeakPolarHBondContact CA-O 3.03Å; N178-V218 PolarHBondContact N-O 2.8Å; N178-V218 PolarHBondContact O-N 2.03Å; R216-V218 HydrophobicContact CG-CG2 4.41Å; V218-A226 CarbonylContact C-O 3.54Å
219A98.5Very high95Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-84.6128.2169.500000109P145 P148 S168 P175 V176 Y177 S225 A226P145-A219 HydrophobicContact CB-CB 4.04Å; P148-A219 HydrophobicContact CB-CB 4.35Å; P148-A219 HydrophobicContact CG-CB 4.17Å; S168-A219 WeakPolarHBondContact OG-CB 3.44Å; P175-A219 HydrophobicContact CB-CB 4.18Å; P175-A219 HydrophobicContact CG-CB 4.46Å; V176-A219 CarbonylContact O-C 3.56Å; V176-A219 WeakPolarHBondContact O-CA 3.17Å; Y177-A219 HydrophobicContact CD1-CB 3.62Å; Y177-A219 HydrophobicContact CE1-CB 3.53Å; A219-S225 CarbonylContact O-C 3.57Å; A219-S225 WeakPolarHBondContact O-CA 3.34Å; A219-S225 WeakPolarHBondContact O-CB 3.17Å; A219-A226 PolarHBondContact N-O 3.5Å; A219-A226 PolarHBondContact O-N 3.15Å
220T98.3Very high95.4Very high55 Ų5546 Ų4634%0.33727%0.27SS..EExtended strand (participates in β ladder)trans-136.3136.3-172.9-52.50000111.6P175 V176P175-T220 CarbonylContact C-O 3.57Å; P175-T220 WeakPolarHBondContact CA-O 3.05Å; P175-T220 WeakPolarHBondContact CB-O 3.05Å; V176-T220 PolarHBondContact N-O 2.72Å; V176-T220 PolarHBondContact O-N 2.86Å
221N97.6Very high95.9Very high21 Ų2145.7 Ų45.711%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-139.5-177.8161.876.212.4000110.4V143 P145 A172 P173 P175 M223 G224V143-N221 PolarHBondContact O-ND2 2.99Å; P145-N221 HydrophobicContact CG-CB 4.48Å; A172-N221 PolarHBondContact N-ND2 2.99Å; P173-N221 PolarHBondContact O-ND2 3.28Å; P175-N221 HydrophobicContact CB-CB 4.49Å; N221-M223 PolarHBondContact O-N 3.48Å; N221-M223 WeakPolarHBondContact OD1-CA 3.34Å; N221-M223 WeakPolarHBondContact OD1-CB 3.48Å; N221-M223 PolarHBondContact OD1-N 2.64Å; N221-G224 PolarHBondContact N-O 2.95Å; N221-G224 PolarHBondContact O-N 2.79Å; N221-G224 VanDerWaalsContact O-N 3.07Å; N221-G224 PolarHBondContact OD1-N 2.75Å
222Q96.6Very high96.2Very high123 Ų12344.9 Ų44.958%0.57526%0.262SS*.THydrogen-bonded Turntrans-62.5-11.1-178.164.9-1796.700115.6P173P173-Q222 HydrophobicContact CG-CG 4.35Å
223M97.6Very high96.4Very high74 Ų7446.9 Ų46.937%0.36528%0.276SS..THydrogen-bonded Turntrans-100.3-4.5176.9-61.5-7387.100113.4P36 L142 P144 N221P36-M223 HydrophobicContact CB-SD 4.07Å; P36-M223 HydrophobicContact CG-SD 3.99Å; L142-M223 HydrophobicContact CB-CG 3.6Å; L142-M223 HydrophobicContact CB-SD 3.54Å; L142-M223 VanDerWaalsContact CB-SD 3.54Å; L142-M223 HydrophobicContact CD1-CE 3.89Å; L142-M223 HydrophobicContact CD1-CG 4.43Å; L142-M223 HydrophobicContact CD1-SD 3.82Å; L142-M223 HydrophobicContact CG-SD 4.37Å; P144-M223 HydrophobicContact CB-CB 4.12Å; N221-M223 PolarHBondContact O-N 3.48Å; N221-M223 WeakPolarHBondContact OD1-CA 3.34Å; N221-M223 WeakPolarHBondContact OD1-CB 3.48Å; N221-M223 PolarHBondContact OD1-N 2.64Å
224G97.6Very high96.5Very high31 Ų3146.1 Ų46.132%0.3227%0.267SS..EExtended strand (participates in β ladder)trans145.5-168.7175.300000113.7P145 N221P145-G224 WeakPolarHBondContact CD-O 3.44Å; P145-G224 WeakPolarHBondContact CG-O 3.48Å; N221-G224 PolarHBondContact N-O 2.95Å; N221-G224 PolarHBondContact O-N 2.79Å; N221-G224 VanDerWaalsContact O-N 3.07Å; N221-G224 PolarHBondContact OD1-N 2.75Å
225S98.1Very high96.4Very high83 Ų8347.9 Ų47.958%0.5828%0.278SS*.EExtended strand (participates in β ladder)trans-136.1151.3177.257.20000112.6A219A219-S225 CarbonylContact O-C 3.57Å; A219-S225 WeakPolarHBondContact O-CA 3.34Å; A219-S225 WeakPolarHBondContact O-CB 3.17Å
226A98.3Very high96.2Very high12 Ų1254.2 Ų54.210%0.09931%0.308CS..EExtended strand (participates in β ladder)trans-135.8157173.300000109P145 V218 A219P145-A226 HydrophobicContact CB-CB 4.35Å; V218-A226 CarbonylContact C-O 3.54Å; A219-A226 PolarHBondContact N-O 3.5Å; A219-A226 PolarHBondContact O-N 3.15Å
227S98Very high95.1Very high62 Ų6254.1 Ų54.143%0.43432%0.319SS..EExtended strand (participates in β ladder)trans-143151.6-17360.50000113.6C217C217-S227 CarbonylContact O-C 3.6Å; C217-S227 WeakPolarHBondContact O-CA 3.31Å; C217-S227 WeakPolarHBondContact O-CB 3.14Å
228C97.8Very high93.7Very high18 Ų1858.6 Ų58.612%0.12235%0.35CS..EExtended strand (participates in β ladder)trans-132.1159.4170.959.90000110.9P148 C150 R216 C217P148-C228 HydrophobicContact CG-CB 4.04Å; P148-C228 WeakPolarHBondContact O-CB 3.45Å; P148-C228 PolarHBondContact O-SG 2.94Å; P148-C228 VanDerWaalsContact O-SG 3.4Å; C150-C228 VanDerWaalsContact CA-SG 3.54Å; C150-C228 HydrophobicContact CB-CB 3.85Å; C150-C228 WeakPolarHBondContact CB-SG 3.38Å; C150-C228 PolarHBondContact N-SG 3.43Å; C150-C228 WeakPolarHBondContact SG-CB 3.3Å; C150-C228 PolarHBondContact SG-O 2.99Å; C150-C228 CovalentContact SG-SG 2.04Å; C150-C228 PolarHBondContact SG-SG 3.41Å; R216-C228 CarbonylContact C-O 3.52Å; R216-C228 VanDerWaalsContact CA-O 3.31Å; R216-C228 WeakPolarHBondContact CA-O 3.42Å; C217-C228 PolarHBondContact N-O 3.2Å; C217-C228 PolarHBondContact O-N 2.84Å
229E97.1Very high92Very high100 Ų10064.8 Ų64.847%0.46738%0.377SS..EExtended strand (participates in β ladder)trans-124.2147.9-179.8-71.3-178.4-158.300111.1L182 T214 Y215 R216L182-E229 HydrophobicContact CD1-CG 4.33Å; T214-E229 HydrophobicContact CG2-CB 3.95Å; T214-E229 HydrophobicContact CG2-CG 4.26Å; T214-E229 WeakPolarHBondContact CG2-OE2 3.17Å; Y215-E229 CarbonylContact O-C 3.6Å; Y215-E229 WeakPolarHBondContact O-CA 3.43Å; R216-E229 HydrophobicContact CB-CG 3.9Å; R216-E229 HydrophobicContact CG-CG 3.87Å; R216-E229 IonicContact CZ-OE1 3.13Å; R216-E229 IonicContact NE-OE1 2.77Å; R216-E229 PolarHBondContact NE-OE1 2.8Å; R216-E229 IonicContact NH2-OE1 2.67Å; R216-E229 PolarHBondContact NH2-OE1 2.89Å
230L95.5Very high90.1Very high27 Ų2767.5 Ų67.514%0.14140%0.404CS..EExtended strand (participates in β ladder)trans-144125.5177.4-176.1149.2000109.6C150 Q152 L164 Y215C150-L230 HydrophobicContact CB-CB 4.07Å; C150-L230 HydrophobicContact CB-CD1 4.3Å; Q152-L230 HydrophobicContact CB-CD1 3.93Å; Q152-L230 HydrophobicContact CB-CD2 4.22Å; L164-L230 HydrophobicContact CD1-CD2 4.38Å; L164-L230 HydrophobicContact CD2-CD2 3.85Å; Y215-L230 PolarHBondContact N-O 2.91Å; Y215-L230 PolarHBondContact O-N 3.29Å
231T95.4Very high88.4Confident102 Ų10275.1 Ų75.163%0.62643%0.427SS*.EExtended strand (participates in β ladder)trans-88.6111.3176-53.90000110
232L94.2Very high86.7Confident4 Ų478.5 Ų78.52%0.02145%0.448CS..EExtended strand (participates in β ladder)trans-82.1128.9170.9-18062.4000109.3T156 T162 L204 L207 S212 G213 Y215 V234T156-L232 HydrophobicContact CG2-CD1 3.69Å; T162-L232 HydrophobicContact CG2-CD1 4.2Å; T162-L232 HydrophobicContact CG2-CD2 4.29Å; L204-L232 HydrophobicContact CD1-CD2 3.64Å; L207-L232 HydrophobicContact CD2-CD2 4.34Å; S212-L232 CarbonylContact C-O 3.54Å; S212-L232 VanDerWaalsContact CA-O 3.28Å; S212-L232 WeakPolarHBondContact CA-O 3.47Å; G213-L232 PolarHBondContact N-O 2.93Å; G213-L232 PolarHBondContact O-N 3.38Å; Y215-L232 HydrophobicContact CD2-CB 4.03Å; Y215-L232 HydrophobicContact CE2-CB 3.92Å; Y215-L232 HydrophobicContact CE2-CD2 3.96Å; L232-V234 HydrophobicContact CD2-CG2 4.29Å; L232-V234 HydrophobicContact CG-CG2 4.16Å
233S94.1Very high85.2Confident77 Ų7774.8 Ų74.854%0.53844%0.438SS..  trans-117.6118.8172.4-174.10000109T156T156-S233 WeakPolarHBondContact CB-O 3.45Å
234V92.4Very high83.9Confident7 Ų773.4 Ų73.44%0.04244%0.443CS..  trans-102127.7177.3-175.80000109.8T156 V158 L207 S208 L209 S212 L232T156-V234 VanDerWaalsContact O-CA 3.27Å; T156-V234 WeakPolarHBondContact O-CA 3.35Å; V158-V234 HydrophobicContact CG2-CG1 4.06Å; L207-V234 HydrophobicContact CB-CG1 4.03Å; L207-V234 HydrophobicContact CB-CG2 4.28Å; L207-V234 HydrophobicContact CD1-CG2 4.22Å; L207-V234 HydrophobicContact CD2-CG2 4.39Å; S208-V234 WeakPolarHBondContact O-CB 3.43Å; S208-V234 WeakPolarHBondContact O-CG1 3.47Å; L209-V234 VanDerWaalsContact CD2-O 3.25Å; L209-V234 WeakPolarHBondContact CD2-O 3.45Å; S212-V234 WeakPolarHBondContact OG-CB 3.43Å; S212-V234 PolarHBondContact OG-N 3.08Å; L232-V234 HydrophobicContact CD2-CG2 4.29Å; L232-V234 HydrophobicContact CG-CG2 4.16Å
235T92.9Very high82.9Confident77 Ų7774.7 Ų74.747%0.47245%0.451SS..BIsolated β-bridgetrans-111.7154.9-179.254.20000112.2T156 S157 V158T156-T235 PolarHBondContact O-N 3.32Å; S157-T235 CarbonylContact C-O 3.6Å; S157-T235 WeakPolarHBondContact CA-O 3.45Å; V158-T235 PolarHBondContact N-O 2.87Å
236E88.3Confident82.2Confident139 Ų13975.9 Ų75.965%0.6545%0.45SS*.  trans-71.5145.6169.2-64.6-174.2156.500110.6V158 L209 S238V158-E236 HydrophobicContact CG2-CG 4.18Å; L209-E236 HydrophobicContact CD1-CG 4.31Å; L209-E236 HydrophobicContact CD2-CG 4.1Å; L209-E236 HydrophobicContact CG-CG 4.49Å; E236-S238 PolarHBondContact O-N 2.87Å
237P74.5Confident81.6Confident87 Ų8780.1 Ų80.157%0.56547%0.47SS*.  trans-63.7129.2173.727.6-34.3000110.2E239P237-E239 PolarHBondContact O-N 2.82Å; P237-E239 VanDerWaalsContact O-N 3.16Å
238S67.2Low81.1Confident94 Ų9478.7 Ų78.766%0.65747%0.465SS*.  trans-71.4111.1-172.250.40000113.2E236 G240 R241E236-S238 PolarHBondContact O-N 2.87Å; S238-G240 PolarHBondContact O-N 2.83Å; S238-R241 PolarHBondContact O-N 2.87Å
239E62.1Low80.8Confident168 Ų16882.3 Ų82.379%0.78549%0.486SS*.THydrogen-bonded Turntrans-54.5-26.1178.2-65.5-155.6129.200113.7P237 R241 V242 A243P237-E239 PolarHBondContact O-N 2.82Å; P237-E239 VanDerWaalsContact O-N 3.16Å; E239-R241 PolarHBondContact O-N 3.01Å; E239-V242 WeakPolarHBondContact O-CA 3.34Å; E239-V242 WeakPolarHBondContact O-CB 3.44Å; E239-V242 PolarHBondContact O-N 2.98Å; E239-A243 PolarHBondContact O-N 2.89Å
240G58.9Low80.7Confident56 Ų5683.4 Ų83.458%0.57750%0.495SS*.Hα-helixtrans-52.5-26.3175.100000114.2S238 G244S238-G240 PolarHBondContact O-N 2.83Å; G240-G244 PolarHBondContact O-N 2.87Å
241R61.3Low80.7Confident216 Ų21686.7 Ų86.782%0.81551%0.512SS*.Hα-helixtrans-73.6-32.6174.1-163.4173.8-171.81722.6112.7S238 E239 A245S238-R241 PolarHBondContact O-N 2.87Å; E239-R241 PolarHBondContact O-N 3.01Å; R241-A245 WeakPolarHBondContact O-CB 3.26Å; R241-A245 PolarHBondContact O-N 3.02Å
242V62.8Low80.7Confident92 Ų9285.8 Ų85.856%0.55851%0.506SS*.Hα-helixtrans-75.8-46.3174.2-1760000109.9E239 G244 A245 L246E239-V242 WeakPolarHBondContact O-CA 3.34Å; E239-V242 WeakPolarHBondContact O-CB 3.44Å; E239-V242 PolarHBondContact O-N 2.98Å; V242-G244 PolarHBondContact O-N 2.75Å; V242-A245 PolarHBondContact O-N 3.36Å; V242-L246 HydrophobicContact CG1-CD1 4.09Å; V242-L246 WeakPolarHBondContact O-CG 3.47Å; V242-L246 PolarHBondContact O-N 2.8Å
243A63.9Low80.8Confident45 Ų4589.8 Ų89.837%0.37253%0.53SS..Hα-helixtrans-58-46.9175.400000111.9E239 A245 L246 I247E239-A243 PolarHBondContact O-N 2.89Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.97Å; A243-L246 PolarHBondContact O-N 3.2Å; A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.34Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.35Å; A243-I247 PolarHBondContact O-N 2.77Å
244G71.3Confident80.9Confident45 Ų4590.9 Ų90.946%0.46453%0.53SS..Hα-helixtrans-61-38.2176.400000113.5G240 V242 G248G240-G244 PolarHBondContact O-N 2.87Å; V242-G244 PolarHBondContact O-N 2.75Å; G244-G248 PolarHBondContact O-N 2.84Å
245A77.5Confident81Confident58 Ų5896.5 Ų96.548%0.47956%0.559SS.*Hα-helixtrans-66.9-45.5175.100000112.1R241 V242 A243 G248 V249R241-A245 WeakPolarHBondContact O-CB 3.26Å; R241-A245 PolarHBondContact O-N 3.02Å; V242-A245 PolarHBondContact O-N 3.36Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 2.97Å; A245-G248 PolarHBondContact O-N 2.88Å; A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 3.1Å
246L82.2Confident81.2Confident108 Ų10898.3 Ų98.357%0.56557%0.565SS**Hα-helixtrans-63.1-44.1177.7-70.7171.4000112.2V242 A243 V249 L250V242-L246 HydrophobicContact CG1-CD1 4.09Å; V242-L246 WeakPolarHBondContact O-CG 3.47Å; V242-L246 PolarHBondContact O-N 2.8Å; A243-L246 PolarHBondContact O-N 3.2Å; L246-V249 PolarHBondContact O-N 2.93Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 3.11Å
247I86.3Confident81.5Confident100 Ų10094.8 Ų94.851%0.51356%0.555SS.*Hα-helixtrans-62.3-43.5175.4-67.9164.1000110.5A243 V249 L250 L251A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.34Å; A243-I247 VanDerWaalsContact O-CG1 3.23Å; A243-I247 WeakPolarHBondContact O-CG1 3.35Å; A243-I247 PolarHBondContact O-N 2.77Å; I247-V249 PolarHBondContact O-N 3.4Å; I247-L250 PolarHBondContact O-N 3.19Å; I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 VanDerWaalsContact O-CG 3.32Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.36Å
248G86.3Confident82.5Confident32 Ų3294.3 Ų94.333%0.3355%0.551SS.*Hα-helixtrans-59.3-46175.600000113G244 A245 L251 V252G244-G248 PolarHBondContact O-N 2.84Å; A245-G248 PolarHBondContact O-N 2.88Å; G248-L251 PolarHBondContact O-N 3.28Å; G248-V252 WeakPolarHBondContact O-CG2 3.45Å; G248-V252 PolarHBondContact O-N 3.42Å
249V93.3Very high83.8Confident94 Ų9492.1 Ų92.157%0.5754%0.538SS*.Hα-helixtrans-63.3-45.1176171.40000111.4A245 L246 I247 L251 V252 V253A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 3.1Å; L246-V249 PolarHBondContact O-N 2.93Å; I247-V249 PolarHBondContact O-N 3.4Å; V249-L251 PolarHBondContact O-N 3Å; V249-V252 PolarHBondContact O-N 2.8Å; V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CG2 3.43Å; V249-V253 PolarHBondContact O-N 2.63Å
250L94.7Very high85.3Confident123 Ų12386.2 Ų86.264%0.64452%0.519SS*.Hα-helixtrans-58.6-43.7176.4-96.6155.5000112.4L246 I247 V253 L254L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 3.11Å; I247-L250 PolarHBondContact O-N 3.19Å; L250-V253 PolarHBondContact O-N 2.88Å; L250-L254 VanDerWaalsContact O-CB 3.32Å; L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 3.49Å
251L95.4Very high87Confident97 Ų9789.2 Ų89.251%0.50852%0.516SS..Hα-helixtrans-65.5-40.5177.1-71.8170.4000112.2I247 G248 V249 L254 L255I247-L251 HydrophobicContact CG2-CD1 3.92Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 VanDerWaalsContact O-CG 3.32Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.36Å; G248-L251 PolarHBondContact O-N 3.28Å; V249-L251 PolarHBondContact O-N 3Å; L251-L254 PolarHBondContact O-N 3.41Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å
252V94.8Very high88.5Confident83 Ų8382.4 Ų82.450%0.50350%0.501SS..Hα-helixtrans-64.5-45.3175.5170.10000111.2G248 V249 L254 L255 L256G248-V252 WeakPolarHBondContact O-CG2 3.45Å; G248-V252 PolarHBondContact O-N 3.42Å; V249-V252 PolarHBondContact O-N 2.8Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; V252-L255 PolarHBondContact O-N 3.05Å; V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.84Å
253V96.1Very high89.9Confident87 Ų8783 Ų8353%0.52750%0.5SS..Hα-helixtrans-62.4-41.8176.6171.50000111.3V249 L250 L256 S257V249-V253 HydrophobicContact CG1-CG2 4.38Å; V249-V253 WeakPolarHBondContact O-CG2 3.43Å; V249-V253 PolarHBondContact O-N 2.63Å; L250-V253 PolarHBondContact O-N 2.88Å; V253-L256 PolarHBondContact O-N 2.86Å; V253-S257 PolarHBondContact O-N 3.12Å; V253-S257 PolarHBondContact O-OG 3.03Å
254L96.3Very high91.1Very high101 Ų10186.3 Ų86.353%0.52951%0.511SS..Hα-helixtrans-60-51.2175.4-175.764.6000111.2L250 L251 V252 L256 S257 V258L250-L254 VanDerWaalsContact O-CB 3.32Å; L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 3.49Å; L251-L254 PolarHBondContact O-N 3.41Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.82Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; L254-S257 PolarHBondContact O-OG 3.39Å; L254-V258 WeakPolarHBondContact O-CG2 3Å; L254-V258 PolarHBondContact O-N 3.26Å
255L95.9Very high91.8Very high124 Ų12491 Ų9165%0.64951%0.514SS*.Hα-helixtrans-59.6-41.3178.5-72.2169000112.4L251 V252 V258 A259L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.36Å; L251-L255 PolarHBondContact O-N 2.94Å; V252-L255 PolarHBondContact O-N 3.05Å; L255-V258 PolarHBondContact O-N 3.02Å; L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.79Å
256L95.8Very high92Very high116 Ų11693.3 Ų93.361%0.60751%0.514SS*.Hα-helixtrans-64.5-41.5175.3-71.7171.1000112.1V252 V253 L254 A259 A260V252-L256 HydrophobicContact CG1-CD1 3.95Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CB 3.28Å; V252-L256 VanDerWaalsContact O-CG 3.31Å; V252-L256 WeakPolarHBondContact O-CG 3.41Å; V252-L256 PolarHBondContact O-N 2.84Å; V253-L256 PolarHBondContact O-N 2.86Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.82Å; L256-A259 PolarHBondContact O-N 2.88Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-A260 PolarHBondContact O-N 3.48Å
257S95.1Very high91.8Very high64 Ų6494.3 Ų94.345%0.44852%0.515SS..Hα-helixtrans-66-38.6177.172.20000112.7V253 L254 A260 F261V253-S257 PolarHBondContact O-N 3.12Å; V253-S257 PolarHBondContact O-OG 3.03Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; L254-S257 PolarHBondContact O-OG 3.39Å; S257-A260 PolarHBondContact O-N 3.21Å; S257-F261 WeakPolarHBondContact O-CB 3.24Å; S257-F261 PolarHBondContact O-N 2.7Å
258V96.1Very high91.4Very high77 Ų7796.3 Ų96.347%0.46752%0.52SS..Hα-helixtrans-65.5-45173.8172.20000110.9L254 L255 A260 F261 C262L254-V258 WeakPolarHBondContact O-CG2 3Å; L254-V258 PolarHBondContact O-N 3.26Å; L255-V258 PolarHBondContact O-N 3.02Å; V258-A260 PolarHBondContact O-N 2.81Å; V258-F261 PolarHBondContact O-N 3.29Å; V258-C262 WeakPolarHBondContact O-CB 3.21Å; V258-C262 PolarHBondContact O-N 2.6Å; V258-C262 PolarHBondContact O-SG 2.82Å; V258-C262 VanDerWaalsContact O-SG 3.33Å
259A94.1Very high90.6Very high48 Ų4899.5 Ų99.540%0.39753%0.526SS..Hα-helixtrans-60.2-45.2176.200000111.8L255 L256 C262 L263L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.79Å; L256-A259 PolarHBondContact O-N 2.88Å; A259-C262 PolarHBondContact O-N 2.82Å; A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 2.94Å
260A94.2Very high89.1Confident45 Ų45103.5 Ų103.537%0.37253%0.531SS..Hα-helixtrans-61.6-43.6175.300000112.2L256 S257 V258 L263 I264L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-A260 PolarHBondContact O-N 3.48Å; S257-A260 PolarHBondContact O-N 3.21Å; V258-A260 PolarHBondContact O-N 2.81Å; A260-L263 PolarHBondContact O-N 2.87Å; A260-I264 WeakPolarHBondContact O-CB 3.38Å; A260-I264 WeakPolarHBondContact O-CD1 3.19Å; A260-I264 VanDerWaalsContact O-CG1 3.25Å; A260-I264 WeakPolarHBondContact O-CG1 3.37Å; A260-I264 PolarHBondContact O-N 3.13Å
261F94.4Very high87.4Confident119 Ų119100.8 Ų100.852%0.52253%0.533SS..Hα-helixtrans-62.4-42.4175.8-179.6-96000112.3S257 V258 I264 R265S257-F261 WeakPolarHBondContact O-CB 3.24Å; S257-F261 PolarHBondContact O-N 2.7Å; V258-F261 PolarHBondContact O-N 3.29Å; F261-I264 PolarHBondContact O-N 2.85Å; F261-R265 HydrophobicContact CD1-CG 4.13Å; F261-R265 HydrophobicContact CE1-CG 3.81Å; F261-R265 HydrophobicContact CZ-CG 4.05Å; F261-R265 WeakPolarHBondContact O-CB 3.3Å; F261-R265 WeakPolarHBondContact O-CG 3.37Å; F261-R265 PolarHBondContact O-N 2.78Å
262C92.2Very high85.6Confident73 Ų73102.2 Ų102.249%0.49354%0.535SS..Hα-helixtrans-62.7-42.4175.2-72.90000112.1V258 A259 R265 F266V258-C262 WeakPolarHBondContact O-CB 3.21Å; V258-C262 PolarHBondContact O-N 2.6Å; V258-C262 PolarHBondContact O-SG 2.82Å; V258-C262 VanDerWaalsContact O-SG 3.33Å; A259-C262 PolarHBondContact O-N 2.82Å; C262-R265 PolarHBondContact O-N 2.85Å; C262-F266 WeakPolarHBondContact O-CB 3.09Å; C262-F266 PolarHBondContact O-N 2.77Å
263L92Very high83.7Confident105 Ų105107.6 Ų107.655%0.5555%0.552SS.*Hα-helixtrans-62.7-47.7173.8-71.2170.5000111.5A259 A260 R265 F266 H267A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 2.94Å; A260-L263 PolarHBondContact O-N 2.87Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 2.87Å; L263-F266 PolarHBondContact O-N 3.05Å; L263-H267 PolarHBondContact O-CD2 3.49Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 2.8Å
264I89.5Confident81.5Confident114 Ų114109.2 Ų109.259%0.58556%0.564SS**Hα-helixtrans-59.2-42177-69.2163.2000111A260 F261 K268A260-I264 WeakPolarHBondContact O-CB 3.38Å; A260-I264 WeakPolarHBondContact O-CD1 3.19Å; A260-I264 VanDerWaalsContact O-CG1 3.25Å; A260-I264 WeakPolarHBondContact O-CG1 3.37Å; A260-I264 PolarHBondContact O-N 3.13Å; F261-I264 PolarHBondContact O-N 2.85Å; I264-K268 VanDerWaalsContact O-CB 3.28Å; I264-K268 WeakPolarHBondContact O-CB 3.48Å; I264-K268 PolarHBondContact O-N 3.09Å
265R86.8Confident78.9Confident142 Ų142114.1 Ų114.154%0.53658%0.581SS.*Hα-helixtrans-62-47.3173.9-79.1-74.3-175.6155.31112F261 C262 L263 K268 E269F261-R265 HydrophobicContact CD1-CG 4.13Å; F261-R265 HydrophobicContact CE1-CG 3.81Å; F261-R265 HydrophobicContact CZ-CG 4.05Å; F261-R265 WeakPolarHBondContact O-CB 3.3Å; F261-R265 WeakPolarHBondContact O-CG 3.37Å; F261-R265 PolarHBondContact O-N 2.78Å; C262-R265 PolarHBondContact O-N 2.85Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 2.87Å; R265-K268 PolarHBondContact O-N 3.37Å; R265-K268 VanDerWaalsContact O-N 3.15Å; R265-E269 PolarHBondContact O-N 2.96Å
266F80.4Confident76.7Confident108 Ų108117.3 Ų117.347%0.47459%0.593SS.*Hα-helixtrans-64.4-40-179.9-173.1-113.1000112.7C262 L263 E269 R270C262-F266 WeakPolarHBondContact O-CB 3.09Å; C262-F266 PolarHBondContact O-N 2.77Å; L263-F266 PolarHBondContact O-N 3.05Å; F266-E269 PolarHBondContact O-N 2.8Å; F266-R270 WeakPolarHBondContact O-CB 3.48Å; F266-R270 WeakPolarHBondContact O-CG 3.41Å; F266-R270 PolarHBondContact O-N 2.64Å
267H78.5Confident74Confident128 Ų128118.6 Ų118.659%0.59361%0.606SS**Hα-helixtrans-65.7-37.3171.3-83.8-94.1000112.3L263 R270 G271L263-H267 PolarHBondContact O-CD2 3.49Å; L263-H267 VanDerWaalsContact O-CD2 3.28Å; L263-H267 PolarHBondContact O-N 2.8Å; H267-R270 PolarHBondContact O-N 2.89Å; H267-G271 PolarHBondContact O-N 2.9Å
268K77.8Confident71.3Confident142 Ų142126.6 Ų126.662%0.61763%0.628SS**Hα-helixtrans-69.1-35.3176.4-172.9170.6-175.8171.30113.1I264 R265 G271I264-K268 VanDerWaalsContact O-CB 3.28Å; I264-K268 WeakPolarHBondContact O-CB 3.48Å; I264-K268 PolarHBondContact O-N 3.09Å; R265-K268 PolarHBondContact O-N 3.37Å; R265-K268 VanDerWaalsContact O-N 3.15Å; K268-G271 PolarHBondContact O-N 2.78Å
269E69.6Low68.5Low99 Ų99126.3 Ų126.346%0.46364%0.641SS.*Hα-helixtrans-69.2-45.6171.5-71.3-54.8123.100111.2R265 F266 G271 K272R265-E269 PolarHBondContact O-N 2.96Å; F266-E269 PolarHBondContact O-N 2.8Å; E269-G271 PolarHBondContact O-N 3.25Å; E269-G271 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 2.84Å; E269-K272 IonicContact OE1-NZ 3.88Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å; E269-K272 IonicContact OE2-NZ 2.91Å
270R62.1Low65.8Low178 Ų178127.1 Ų127.167%0.67265%0.653SS**Hα-helixtrans-60-22.5172.2-77.2-177.9166.7-171.7-3.7114.1F266 H267 K272F266-R270 WeakPolarHBondContact O-CB 3.48Å; F266-R270 WeakPolarHBondContact O-CG 3.41Å; F266-R270 PolarHBondContact O-N 2.64Å; H267-R270 PolarHBondContact O-N 2.89Å; R270-K272 VanDerWaalsContact C-N 3.27Å; R270-K272 PolarHBondContact O-N 3.48Å
271G59.2Low63.6Low67 Ų67130.5 Ų130.569%0.69167%0.674SS**THydrogen-bonded Turntrans-70.7-14.5172.200000114.9H267 K268 E269H267-G271 PolarHBondContact O-N 2.9Å; K268-G271 PolarHBondContact O-N 2.78Å; E269-G271 PolarHBondContact O-N 3.25Å; E269-G271 VanDerWaalsContact O-N 3.14Å
272K57.7Low61.3Low126 Ų126131.5 Ų131.555%0.54869%0.685SS.*  trans-103.193.5176.8-62.5172.4-174.7160.30110.4E269 R270 P274E269-K272 PolarHBondContact O-N 2.84Å; E269-K272 IonicContact OE1-NZ 3.88Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å; E269-K272 IonicContact OE2-NZ 2.91Å; R270-K272 VanDerWaalsContact C-N 3.27Å; R270-K272 PolarHBondContact O-N 3.48Å; K272-P274 WeakPolarHBondContact O-CD 3.09Å
273K53.7Low59.2Low197 Ų197134.8 Ų134.886%0.85770%0.697SS**PPolyproline II helixtrans-75.6124.1167.5-71.2-170.6176-172.40110.6
274P49.7Very low57Low121 Ų121138.3 Ų138.379%0.78670%0.703SS**PPolyproline II helixtrans-67.7159.8159.2-13.930.7000110.4K272K272-P274 WeakPolarHBondContact O-CD 3.09Å
275K42.3Very low55.3Low204 Ų204140.5 Ų140.589%0.88771%0.711SS**PPolyproline II helixtrans-86.8148.9164.9-74.5-174.9174.9-176.80110
276E49.1Very low53.6Low190 Ų190139 Ų13989%0.88871%0.713SS**PPolyproline II helixtrans-74.2145.4168.4-60.1176.7156.800111.1
277T39.5Very low52.1Low144 Ų144138.1 Ų138.188%0.88373%0.726SS**  trans-144.9144.2155.3-59.40000108.3
278Y38Very low50.3Low232 Ų232141 Ų14191%0.9174%0.742SS**  trans-105147.7-174.3-179.8-87.3000111.7
279G38.5Very low48.5Very low71 Ų71138.2 Ų138.273%0.73275%0.746SS**  trans165144.3175.100000111.7
280G37.5Very low47.8Very low64 Ų64139.7 Ų139.766%0.6676%0.764SS**  trans-164.3-168.1-175.500000114.2
281S46.6Very low46.5Very low117 Ų117134.5 Ų134.582%0.81877%0.766SS**  trans63.2151179.772.10000115.4
282D47.1Very low45.4Very low140 Ų140139.5 Ų139.575%0.74978%0.775SS**  cis-160.11753.3-140.4-33000112.7
283L48.8Very low44.3Very low141 Ų141138.1 Ų138.174%0.73878%0.781SS**  trans64.8136.9165.5-57.1168.1000117.8
284R45.5Very low43.7Very low179 Ų179136.4 Ų136.468%0.67578%0.776SS**  cis100.4125.517.4-162.5-149.8-177.496.518.1114.2D286R284-D286 IonicContact CZ-OD2 3.28Å; R284-D286 VanDerWaalsContact CZ-OD2 3.28Å; R284-D286 IonicContact NE-OD2 2.95Å; R284-D286 PolarHBondContact NE-OD2 2.97Å; R284-D286 IonicContact NH2-OD1 3.57Å; R284-D286 IonicContact NH2-OD2 2.75Å; R284-D286 PolarHBondContact NH2-OD2 3.05Å
285E54.1Low43Very low161 Ų161138.2 Ų138.275%0.75277%0.774SS**  -164.2149.6123.4-150.956.6-17100113.3
286D51.1Low42.7Very low109 Ų109133.7 Ų133.758%0.58376%0.763SS**  trans-87.8179.7-175.9-55.1-98.4000111.8R284R284-D286 IonicContact CZ-OD2 3.28Å; R284-D286 VanDerWaalsContact CZ-OD2 3.28Å; R284-D286 IonicContact NE-OD2 2.95Å; R284-D286 PolarHBondContact NE-OD2 2.97Å; R284-D286 IonicContact NH2-OD1 3.57Å; R284-D286 IonicContact NH2-OD2 2.75Å; R284-D286 PolarHBondContact NH2-OD2 3.05Å
287A48.7Very low42Very low91 Ų91129.3 Ų129.375%0.75275%0.754SS**  cis-140.5-122.210.200000111.7
288M40.3Very low41.6Very low187 Ų187130.4 Ų130.492%0.92175%0.751SS**  cis-159.3179.63-148.2171.3-169.900111.7
289A40.7Very low41.6Very low84 Ų84130.3 Ų130.369%0.69475%0.749SS**  trans-149.8-157.5177.600000108.2
290P54Low41.7Very low131 Ų131131.1 Ų131.185%0.85175%0.749SS**  cis-146.1-173.93.945.3-25.3000118.1
291G34.9Very low41.7Very low69 Ų69135 Ų13571%0.71176%0.755SS**  trans101.3156.2152.200000117.9
292I35Very low41.2Very low171 Ų171133.6 Ų133.688%0.87774%0.744SS**  cis-153.1179.1-6.1-111.1166.5000109.8
293S36.3Very low41Very low98 Ų98131 Ų13169%0.68574%0.737SS**  trans-65.3177.8-171.853.90000117.1
294E40.3Very low40.6Very low160 Ų160134.1 Ų134.175%0.74875%0.745SS**  cis-156.6170.730.3-64.1-169.5130.900116
295H35.9Very low40.1Very low160 Ų160128.4 Ų128.474%0.74174%0.741SS**  trans45.9145.3137.3-82.1-69.7000123.2
296T35.6Very low39.1Very low108 Ų108129.9 Ų129.966%0.66375%0.746SS**  cis-162.1159.3-4.1-54.60000111.7
297S33.4Very low38.4Very low99 Ų99130.4 Ų130.469%0.69275%0.748SS**  trans71.9151.4158.4-88.30000119.2
298M31.7Very low37.6Very low166 Ų166133.3 Ų133.382%0.81875%0.746SS**  cis-148.3-177.90.3-135.9-174.5-154.900113.1
299R38.5Very low37.2Very low231 Ų231135.3 Ų135.387%0.87274%0.743SS**  trans-58.7169.3-178.8-63.2178.8174.6125.5-0.8114.9
300A40.2Very low37.7Very low87 Ų87136 Ų13672%0.71974%0.741SS**  cis-149150.412.100000110.7
301D37.5Very low36.7Very low147 Ų147134.5 Ų134.579%0.78673%0.733SS**  65.4132.386.8-154.929.2000114
302S36.5Very low36.7Very low86 Ų86137 Ų13760%0.60174%0.74SS**  cis-139.9157.29.3-137.70000110.2
303S41.8Very low36.7Very low86 Ų86133.8 Ų133.860%0.60174%0.739SS**  cis63138.548.1135.20000112.9
304K40.3Very low36.6Very low206 Ų206134.6 Ų134.690%0.89674%0.744SS**  cis-156.9177.4-5.5-100.4165.3178.9174.30105.7
305G35.3Very low36.3Very low59 Ų59133.4 Ų133.461%0.60875%0.748SS**  cis178.8156.87.200000107.5
306F32.7Very low36.3Very low193 Ų193131.9 Ų131.985%0.84675%0.75SS**  62.3129.586.5-85-135.3000114
307L36.2Very low36.2Very low119 Ų119133.1 Ų133.162%0.62376%0.758SS**  cis-157.8175.12.4-100.3170.2000112.2
308E32.3Very low36.6Very low152 Ų152134.5 Ų134.571%0.7176%0.762SS**  trans23.2137.6147.6-66.7164.513600122
309R32Very low36.8Very low229 Ų229133.6 Ų133.686%0.86477%0.766SS**  cis71.6141.948-173.4173.1-168.7169.26.7112.7
310P51.8Low36.7Very low100 Ų100132.4 Ų132.465%0.64977%0.767SS**  cis-131.4-169-1.831.9-9000116.6
311S32.1Very low36.5Very low98 Ų98133.9 Ų133.969%0.68577%0.772SS**  trans86.3109136.656.90000123.2
312S35.8Very low36.9Very low121 Ų121136.2 Ų136.285%0.84678%0.776SS**  44112.4117.4-47.10000121.7
313A34.8Very low37.7Very low104 Ų104139.7 Ų139.786%0.8679%0.787SS**  -168155.4119.400000112.7
314S33.9Very low38.4Very low115 Ų115141 Ų14180%0.80479%0.793SS**  trans-72.8162.4177.2-42.30000113.8
315T33.3Very low38.4Very low135 Ų135140 Ų14083%0.82879%0.794SS**  -169151.5120.9-75.60000110.5
316V37.6Very low39.2Very low128 Ų128144.7 Ų144.778%0.77680%0.803SS**  trans-100.7135.5179.7172.20000110.8
317T33Very low40.2Very low135 Ų135145.5 Ų145.583%0.82882%0.824SS**  trans-148.4149.2152-13.50000112.3
318T41.5Very low40.4Very low127 Ų127146.9 Ų146.978%0.77983%0.834SS**  trans-96.6154177.446.40000112
319T36.3Very low40.9Very low148 Ų148146.6 Ų146.691%0.90884%0.84SS**  trans-141.1147.6167.922.90000111.5
320K36.8Very low41.4Very low206 Ų206142 Ų14290%0.89684%0.839SS**  trans-83.5147.3-175.8-74.6179.6173.7177.70112.3
321S35.1Very low40.7Very low118 Ų118144.5 Ų144.583%0.82585%0.85SS**  trans-63.9147.3160179.20000111.2
322K45.2Very low41.3Very low196 Ų196147.4 Ų147.485%0.85286%0.86SS**  trans-144.9120.6170.2-168.2179.4-177.1-1750109.5
323L53Low41.6Very low159 Ų159149.1 Ų149.183%0.83286%0.861SS**PPolyproline II helixtrans-72143.7175.2-73.4159000111.4
324P58.3Low42.1Very low113 Ų113152.4 Ų152.473%0.73486%0.861SS**PPolyproline II helixtrans-90.2145.2152.234.5-28.8000110.9
325M39.1Very low42.8Very low185 Ų185155.2 Ų155.291%0.91187%0.866SS**PPolyproline II helixtrans-90.5145.6167.6-176.3-176-67.300108.4
326I52.7Low43.6Very low158 Ų158156.9 Ų156.981%0.8187%0.869SS**  trans-111.1147.1170.6-65.9178.4000108.2
327V54.2Low44.1Very low210 Ų210159.5 Ų159.5100%1.27388%0.877SS**  trans-70.20-177.3-176.10000111.6

Retrieved 327 of 327 residues in 48.1 ms (Link to these results)