A0A3Q0KSM1_SCHMA Loading...

Rab, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M36.9Very low32.4Very low230 Ų230142.5 Ų142.5100%1.13380%0.804SS**  0147.60-70.9-174174.300106.8
2D37.8Very low32.8Very low152 Ų152145.2 Ų145.281%0.81382%0.815SS**  trans87.890.3178.6-49.5-17.7000113.7
3S27.4Very low33.7Very low97 Ų97143.8 Ų143.868%0.67880%0.799SS**  83.412074.767.60000112.4
4N32.8Very low34.4Very low147 Ų147141.2 Ų141.279%0.78679%0.793SS**  trans159.860.8144.8-75.9-25.3000108.8V6N4-V6 PolarHBondContact O-N 3.39Å
5I29.3Very low35.1Very low148 Ų148143 Ų14376%0.75980%0.8SS**  trans-78.9101.3154.5-66.5173.8000104.3D7I5-D7 PolarHBondContact O-N 2.78Å
6V32.9Very low36.2Very low120 Ų120139.8 Ų139.873%0.72778%0.781SS**  trans-8497.1167.7-80.50000107.1N4 L8N4-V6 PolarHBondContact O-N 3.39Å; V6-L8 PolarHBondContact O-N 2.85Å; V6-L8 VanDerWaalsContact O-N 3.12Å
7D29.2Very low37.6Very low139 Ų139140.6 Ų140.674%0.74378%0.781SS**  trans-68.9100.9164.9-72.3-36.1000107.3I5 E9I5-D7 PolarHBondContact O-N 2.78Å; D7-E9 PolarHBondContact O-N 3.41Å; D7-E9 VanDerWaalsContact O-N 3.17Å
8L32Very low39.6Very low165 Ų165134.1 Ų134.186%0.86475%0.747SS**  trans-75105169.5-73.8170.3000107.7V6V6-L8 PolarHBondContact O-N 2.85Å; V6-L8 VanDerWaalsContact O-N 3.12Å
9E32.2Very low42.2Very low181 Ų181131 Ų13185%0.84673%0.725SS**  trans-46.2135.7174.5-63.6179.9148.500111.7D7 T11D7-E9 PolarHBondContact O-N 3.41Å; D7-E9 VanDerWaalsContact O-N 3.17Å; E9-T11 PolarHBondContact O-N 3.07Å
10G27.9Very low44.8Very low83 Ų83133.1 Ų133.186%0.85672%0.721SS**  trans-57109.5-176.900000112.9
11T38.4Very low47.2Very low105 Ų105126.9 Ų126.964%0.64469%0.688SS**  trans-83.3130.9148.954.30000107E9 E13E9-T11 PolarHBondContact O-N 3.07Å; T11-E13 PolarHBondContact O-N 3.31Å
12N36.9Very low49.9Very low175 Ų175117.8 Ų117.894%0.93664%0.642SS**  trans-66.239.5173.4-92.7-26000112.2C14N12-C14 VanDerWaalsContact C-N 3.32Å; N12-C14 PolarHBondContact O-N 3.36Å
13E44.3Very low52.7Low128 Ų128110.6 Ų110.660%0.59860%0.603SS**  trans-6897.7172.2-72-166.5153.700107.1T11 N15 R63T11-E13 PolarHBondContact O-N 3.31Å; E13-N15 PolarHBondContact O-N 3.05Å; E13-R63 IonicContact OE1-NH2 3.09Å
14C43.8Very low55.9Low107 Ų107106 Ų10672%0.72357%0.571SS**  trans-22.8130.6162.9-68.60000109.5N12 N16N12-C14 VanDerWaalsContact C-N 3.32Å; N12-C14 PolarHBondContact O-N 3.36Å; C14-N16 WeakPolarHBondContact O-CA 3.33Å; C14-N16 VanDerWaalsContact O-CB 3.29Å; C14-N16 WeakPolarHBondContact O-CB 3.43Å; C14-N16 PolarHBondContact O-N 3.15Å
15N44.8Very low58.8Low168 Ų16899 Ų9990%0.89853%0.534SS*.  trans-41.653.9177-92.3-21.7000115.6E13 I17E13-N15 PolarHBondContact O-N 3.05Å; N15-I17 VanDerWaalsContact C-N 3.28Å; N15-I17 PolarHBondContact O-N 3.36Å
16N52.6Low61.8Low92 Ų9292 Ų9249%0.49250%0.498SS..  trans-85.886.5-171.1-144.2-5.8000103.3C14 S18C14-N16 WeakPolarHBondContact O-CA 3.33Å; C14-N16 VanDerWaalsContact O-CB 3.29Å; C14-N16 WeakPolarHBondContact O-CB 3.43Å; C14-N16 PolarHBondContact O-N 3.15Å; N16-S18 VanDerWaalsContact C-N 3.33Å; N16-S18 PolarHBondContact O-N 2.99Å
17I60.4Low64.7Low153 Ų15386.3 Ų86.379%0.78546%0.464SS*.  trans-53.7103.7178.8-64.1170.1000106.2N15 K19N15-I17 VanDerWaalsContact C-N 3.28Å; N15-I17 PolarHBondContact O-N 3.36Å; I17-K19 PolarHBondContact O-N 3.22Å
18S73.7Confident67.6Low24 Ų2480.8 Ų80.817%0.16843%0.434CS..PPolyproline II helixtrans-60.4127.5-177.6170.80000109.5N16 R20 L68 K70N16-S18 VanDerWaalsContact C-N 3.33Å; N16-S18 PolarHBondContact O-N 2.99Å; S18-R20 PolarHBondContact O-N 2.84Å; S18-L68 VanDerWaalsContact CA-O 3.29Å; S18-L68 WeakPolarHBondContact CA-O 3.23Å; S18-L68 PolarHBondContact OG-O 3.3Å; S18-K70 WeakPolarHBondContact OG-CD 2.9Å; S18-K70 VanDerWaalsContact OG-CE 3.27Å; S18-K70 WeakPolarHBondContact OG-CE 3.35Å; S18-K70 VanDerWaalsContact OG-CG 3.3Å; S18-K70 WeakPolarHBondContact OG-CG 3.43Å
19K88.8Confident70.4Confident75 Ų7575 Ų7533%0.32641%0.407SS..EExtended strand (participates in β ladder)trans-73.2120.7175.7-72.1-179.6-177.6165.50108.8I17 E67 L68 V69 K70 I182I17-K19 PolarHBondContact O-N 3.22Å; K19-E67 WeakPolarHBondContact CE-OE2 3.18Å; K19-E67 VanDerWaalsContact NZ-CD 3.27Å; K19-E67 IonicContact NZ-OE1 3.74Å; K19-E67 PolarHBondContact NZ-OE1 2.91Å; K19-E67 VanDerWaalsContact NZ-OE1 3.09Å; K19-E67 IonicContact NZ-OE2 3.59Å; K19-E67 PolarHBondContact NZ-OE2 2.87Å; K19-L68 PolarHBondContact N-O 3.15Å; K19-V69 HydrophobicContact CB-CG2 4.48Å; K19-V69 CarbonylContact O-C 3.5Å; K19-V69 WeakPolarHBondContact O-CA 3.31Å; K19-K70 PolarHBondContact O-N 2.65Å; K19-I182 HydrophobicContact CD-CD1 4.33Å; K19-I182 HydrophobicContact CD-CG1 4.14Å; K19-I182 HydrophobicContact CD-CG2 4.3Å
20R93.1Very high73.2Confident173 Ų17372.3 Ų72.365%0.65340%0.399SS*.EExtended strand (participates in β ladder)trans-94.6126.7174.2-61.6-178.3-178.6-179.9-1.4108.5S18 K70 Y72S18-R20 PolarHBondContact O-N 2.84Å; R20-K70 WeakPolarHBondContact CA-O 3.34Å; R20-K70 HydrophobicContact CG-CB 4.4Å; R20-Y72 HydrophobicContact CB-CD2 4.49Å; R20-Y72 HydrophobicContact CB-CE2 4.02Å; R20-Y72 HydrophobicContact CG-CE2 4.06Å
21I95.7Very high76.3Confident3 Ų368.5 Ų68.52%0.01536%0.359CS..EExtended strand (participates in β ladder)trans-125.4122.1179.6-58.4-179.9000109I23 V69 K70 L71 Y72 E95 A178 I181 I182I21-I23 HydrophobicContact CG2-CG2 3.72Å; I21-V69 HydrophobicContact CD1-CG1 3.64Å; I21-V69 HydrophobicContact CG1-CG1 4.09Å; I21-K70 PolarHBondContact N-O 3.35Å; I21-L71 HydrophobicContact CB-CD2 3.9Å; I21-L71 HydrophobicContact CD1-CD2 4.33Å; I21-L71 HydrophobicContact CG2-CD2 4.31Å; I21-L71 WeakPolarHBondContact O-CA 3.35Å; I21-Y72 PolarHBondContact O-N 3.01Å; I21-E95 WeakPolarHBondContact CA-OE1 3.49Å; I21-E95 HydrophobicContact CG2-CB 4.42Å; I21-A178 HydrophobicContact CD1-CB 4.16Å; I21-I181 HydrophobicContact CD1-CB 4.44Å; I21-I181 HydrophobicContact CD1-CG2 4.23Å; I21-I181 HydrophobicContact CG1-CG2 4.43Å; I21-I181 HydrophobicContact CG2-CB 4.5Å; I21-I181 HydrophobicContact CG2-CD1 3.49Å; I21-I181 VanDerWaalsContact CG2-CD1 3.49Å; I21-I181 HydrophobicContact CG2-CG2 4.09Å; I21-I182 HydrophobicContact CD1-CD1 4.18Å; I21-I182 HydrophobicContact CD1-CG1 3.86Å
22K94.8Very high79Confident38 Ų3864 Ų6417%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-90.1121.5171.3-179.2175.9167.7175.50110.6S89 Y90 R92 A94 E95 G96K22-S89 PolarHBondContact NZ-O 3.21Å; K22-Y90 WeakPolarHBondContact CE-O 3.14Å; K22-Y90 PolarHBondContact NZ-O 3.04Å; K22-R92 WeakPolarHBondContact CE-O 3.41Å; K22-R92 PolarHBondContact NZ-O 3.27Å; K22-A94 HydrophobicContact CG-CB 4.47Å; K22-E95 PolarHBondContact N-OE1 3.25Å; K22-E95 VanDerWaalsContact N-OE1 3.17Å; K22-E95 PolarHBondContact O-N 3.18Å; K22-G96 PolarHBondContact O-N 3.05Å
23I95.8Very high81.7Confident2 Ų256 Ų561%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-123.2151.217570.2173.9000112.1I21 L71 Y72 I73 W74 G96 F174 L177 I181I21-I23 HydrophobicContact CG2-CG2 3.72Å; I23-L71 HydrophobicContact CD1-CD1 4.48Å; I23-Y72 PolarHBondContact N-O 2.94Å; I23-Y72 VanDerWaalsContact O-O 3.13Å; I23-I73 HydrophobicContact CD1-CB 4.35Å; I23-I73 HydrophobicContact CD1-CD1 4.18Å; I23-I73 HydrophobicContact CD1-CG1 3.8Å; I23-I73 HydrophobicContact CD1-CG2 4.02Å; I23-I73 HydrophobicContact CG1-CB 4.08Å; I23-I73 HydrophobicContact CG1-CG1 3.85Å; I23-I73 HydrophobicContact CG1-CG2 3.95Å; I23-W74 PolarHBondContact O-N 3.21Å; I23-G96 VanDerWaalsContact CA-O 3.28Å; I23-G96 WeakPolarHBondContact CA-O 3.37Å; I23-F174 HydrophobicContact CD1-CD1 3.66Å; I23-F174 HydrophobicContact CD1-CE1 3.87Å; I23-L177 HydrophobicContact CB-CD2 3.97Å; I23-L177 HydrophobicContact CD1-CD2 4.19Å; I23-L177 HydrophobicContact CG2-CD2 3.7Å; I23-L177 HydrophobicContact CG2-CG 4.33Å; I23-I181 HydrophobicContact CG2-CD1 4.11Å
24I93.8Very high83.9Confident1 Ų152.3 Ų52.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-122142.5175.861176.3000110.6V26 W74 Y90 F91 A94 G96 A97 L98 I119I24-V26 HydrophobicContact CB-CG1 4.48Å; I24-V26 HydrophobicContact CD1-CG1 3.9Å; I24-V26 HydrophobicContact CG1-CG1 4.15Å; I24-W74 HydrophobicContact CG2-CB 4.11Å; I24-Y90 WeakPolarHBondContact CG2-O 3.24Å; I24-F91 HydrophobicContact CD1-CD1 3.4Å; I24-F91 VanDerWaalsContact CD1-CD1 3.4Å; I24-F91 HydrophobicContact CD1-CE1 3.68Å; I24-F91 HydrophobicContact CD1-CG 4.26Å; I24-A94 HydrophobicContact CD1-CB 4.32Å; I24-A94 HydrophobicContact CG1-CB 4.38Å; I24-A94 HydrophobicContact CG2-CB 3.97Å; I24-G96 PolarHBondContact N-O 3.13Å; I24-A97 HydrophobicContact CD1-CB 4.24Å; I24-A97 HydrophobicContact CG1-CB 3.7Å; I24-A97 VanDerWaalsContact O-CA 3.28Å; I24-A97 WeakPolarHBondContact O-CA 3.32Å; I24-L98 PolarHBondContact O-N 2.91Å; I24-I119 HydrophobicContact CD1-CG1 4.31Å
25L94.6Very high86.3Confident0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-98.5122168.4-50.6-174.9000108K33 L37 I73 W74 D75 T76 L98 F174L25-K33 HydrophobicContact CB-CB 4.22Å; L25-K33 HydrophobicContact CB-CD 4.38Å; L25-L37 HydrophobicContact CD1-CB 3.88Å; L25-L37 HydrophobicContact CD1-CD2 4.4Å; L25-I73 HydrophobicContact CD1-CG2 4.32Å; L25-I73 HydrophobicContact CD2-CG2 4.38Å; L25-I73 HydrophobicContact CG-CG2 4.18Å; L25-W74 PolarHBondContact N-O 2.94Å; L25-D75 HydrophobicContact CD1-CB 4.31Å; L25-T76 WeakPolarHBondContact O-CB 3.41Å; L25-T76 VanDerWaalsContact O-CG2 3.28Å; L25-T76 WeakPolarHBondContact O-CG2 3.47Å; L25-T76 PolarHBondContact O-OG1 2.84Å; L25-L98 HydrophobicContact CD2-CB 3.73Å; L25-L98 HydrophobicContact CD2-CD1 3.69Å; L25-L98 HydrophobicContact CD2-CG 3.93Å; L25-F174 HydrophobicContact CD2-CE1 4.11Å; L25-F174 HydrophobicContact CD2-CZ 4.19Å
26V92.5Very high88.8Confident0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-131.9160.1179.5-61.40000110.9I24 K33 T76 M86 F91 L98 V99 V100 W115 I119I24-V26 HydrophobicContact CB-CG1 4.48Å; I24-V26 HydrophobicContact CD1-CG1 3.9Å; I24-V26 HydrophobicContact CG1-CG1 4.15Å; V26-K33 VanDerWaalsContact C-CD 3.48Å; V26-T76 HydrophobicContact CG1-CG2 4.49Å; V26-M86 HydrophobicContact CG1-CE 4.49Å; V26-F91 HydrophobicContact CG1-CE1 4.05Å; V26-F91 HydrophobicContact CG1-CZ 4.26Å; V26-L98 PolarHBondContact N-O 3.3Å; V26-V99 HydrophobicContact CG2-CB 4.24Å; V26-V99 HydrophobicContact CG2-CG1 4.06Å; V26-V99 HydrophobicContact CG2-CG2 4Å; V26-V100 PolarHBondContact O-N 3.36Å; V26-W115 HydrophobicContact CB-CD2 4.32Å; V26-W115 HydrophobicContact CB-CE3 3.7Å; V26-W115 HydrophobicContact CB-CZ3 4.19Å; V26-W115 HydrophobicContact CG1-CE3 4.37Å; V26-W115 HydrophobicContact CG2-CB 4.22Å; V26-W115 HydrophobicContact CG2-CE3 4.42Å; V26-I119 HydrophobicContact CG2-CD1 3.85Å
27G93.1Very high90.8Very high1 Ų138.4 Ų38.41%0.0120%0.202CC..  trans137.6166.6-172.400000111.4K33 V100 W115G27-K33 WeakPolarHBondContact O-CE 3.32Å; G27-K33 PolarHBondContact O-NZ 3.06Å; G27-V100 WeakPolarHBondContact CA-O 3.18Å; G27-W115 VanDerWaalsContact CA-CE2 3.43Å; G27-W115 WeakPolarHBondContact O-CZ2 3.23Å
28N91.3Very high92.3Very high22 Ų2237.1 Ų37.112%0.11819%0.191CC..  trans-56.7162.9-176.6-77.812.5000113.5V31 K33 E111 W115N28-V31 HydrophobicContact CB-CG1 3.69Å; N28-V31 WeakPolarHBondContact O-CG2 3.42Å; N28-K33 PolarHBondContact O-NZ 3.45Å; N28-E111 VanDerWaalsContact CG-OE2 3.26Å; N28-E111 PolarHBondContact ND2-OE2 3.33Å; N28-E111 PolarHBondContact OD1-OE2 3.05Å; N28-W115 PolarHBondContact OD1-NE1 2.79Å
29S89.2Confident93.3Very high44 Ų4436.8 Ų36.831%0.30819%0.189SC..THydrogen-bonded Turntrans-57.1148.4167.2-178.80000110.5V31 E80S29-V31 PolarHBondContact O-N 3.46Å; S29-E80 WeakPolarHBondContact CA-OE2 3.5Å; S29-E80 WeakPolarHBondContact CB-OE2 3.09Å; S29-E80 PolarHBondContact OG-OE1 3.31Å; S29-E80 PolarHBondContact OG-OE2 3.33Å
30N90.9Very high93.6Very high125 Ų12533.4 Ų33.467%0.66817%0.174SC*.THydrogen-bonded Turntrans626.8176.9-16646000116.7G32 K135N30-G32 PolarHBondContact O-N 2.64Å; N30-K135 WeakPolarHBondContact O-CE 3.41Å; N30-K135 PolarHBondContact O-NZ 3.02Å
31V94.1Very high93.6Very high2 Ų227 Ų271%0.01215%0.153CC..SBendtrans-71-12.7173.1-56.50000113N28 S29 K33 V100 D102 N134N28-V31 HydrophobicContact CB-CG1 3.69Å; N28-V31 WeakPolarHBondContact O-CG2 3.42Å; S29-V31 PolarHBondContact O-N 3.46Å; V31-K33 HydrophobicContact CG2-CD 4.31Å; V31-K33 HydrophobicContact CG2-CG 3.67Å; V31-V100 HydrophobicContact CB-CG1 4.24Å; V31-V100 HydrophobicContact CG2-CB 3.85Å; V31-V100 HydrophobicContact CG2-CG1 3.76Å; V31-D102 HydrophobicContact CB-CB 4.35Å; V31-D102 HydrophobicContact CG1-CB 4.27Å; V31-N134 PolarHBondContact O-ND2 2.67Å
32G94.6Very high93.2Very high11 Ų1133.2 Ų33.211%0.11318%0.181CC..SBendtrans98.527174.700000115.4N30 S35 L36N30-G32 PolarHBondContact O-N 2.64Å; G32-S35 PolarHBondContact O-N 3.07Å; G32-L36 VanDerWaalsContact O-CB 3.27Å; G32-L36 WeakPolarHBondContact O-CB 3.27Å; G32-L36 PolarHBondContact O-N 3.12Å
33K93.4Very high92.8Very high6 Ų633.8 Ų33.83%0.02620%0.198CC..Hα-helixtrans-55.4-52.6177.5-56-173.5-62.4-70.40112.6L25 V26 G27 N28 V31 S35 L36 L37 A77 V100L25-K33 HydrophobicContact CB-CB 4.22Å; L25-K33 HydrophobicContact CB-CD 4.38Å; V26-K33 VanDerWaalsContact C-CD 3.48Å; G27-K33 WeakPolarHBondContact O-CE 3.32Å; G27-K33 PolarHBondContact O-NZ 3.06Å; N28-K33 PolarHBondContact O-NZ 3.45Å; V31-K33 HydrophobicContact CG2-CD 4.31Å; V31-K33 HydrophobicContact CG2-CG 3.67Å; K33-S35 PolarHBondContact O-N 3.07Å; K33-L36 WeakPolarHBondContact O-CB 3.49Å; K33-L36 PolarHBondContact O-N 3.32Å; K33-L37 PolarHBondContact O-N 3.26Å; K33-A77 HydrophobicContact CB-CB 4Å; K33-A77 VanDerWaalsContact CE-CB 3.48Å; K33-V100 HydrophobicContact CG-CB 4.12Å; K33-V100 HydrophobicContact CG-CG2 4.15Å
34S91.6Very high92.1Very high51 Ų5135.1 Ų35.136%0.35721%0.208SC..Hα-helixtrans-63.7-39.8176.9-490000112.7L36 L37 K38 D75 A77S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.47Å; S34-L37 PolarHBondContact O-N 2.97Å; S34-K38 VanDerWaalsContact O-CB 3.31Å; S34-K38 WeakPolarHBondContact O-CB 3.34Å; S34-K38 PolarHBondContact O-N 2.91Å; S34-D75 WeakPolarHBondContact CA-OD2 3.22Å; S34-D75 WeakPolarHBondContact CB-OD2 3.42Å; S34-D75 PolarHBondContact OG-OD2 3.06Å; S34-A77 VanDerWaalsContact OG-CB 3.29Å; S34-A77 WeakPolarHBondContact OG-CB 3.44Å
35S94.4Very high91.2Very high67 Ų6739.6 Ų39.647%0.46923%0.232SC..Hα-helixtrans-64.4-38.3175.6-52.70000111.6G32 K33 K38 S39G32-S35 PolarHBondContact O-N 3.07Å; K33-S35 PolarHBondContact O-N 3.07Å; S35-K38 PolarHBondContact O-N 3.19Å; S35-S39 VanDerWaalsContact O-CB 3.23Å; S35-S39 WeakPolarHBondContact O-CB 3.28Å; S35-S39 PolarHBondContact O-N 2.86Å
36L95.9Very high90.1Very high0 Ų049.1 Ų49.10%028%0.276CS..Hα-helixtrans-64.7-46.1176.9-16774.6000110.6G32 K33 S34 S39 F40 L98 V100 I132 T162 A164 V170 F174G32-L36 VanDerWaalsContact O-CB 3.27Å; G32-L36 WeakPolarHBondContact O-CB 3.27Å; G32-L36 PolarHBondContact O-N 3.12Å; K33-L36 WeakPolarHBondContact O-CB 3.49Å; K33-L36 PolarHBondContact O-N 3.32Å; S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.47Å; L36-S39 PolarHBondContact O-N 2.97Å; L36-F40 WeakPolarHBondContact O-CB 3.19Å; L36-F40 PolarHBondContact O-N 2.72Å; L36-L98 HydrophobicContact CD2-CD1 4.15Å; L36-V100 HydrophobicContact CD2-CG2 4.34Å; L36-I132 HydrophobicContact CD2-CG2 4.22Å; L36-T162 HydrophobicContact CD1-CG2 4.24Å; L36-T162 WeakPolarHBondContact CD1-OG1 3.44Å; L36-A164 HydrophobicContact CD1-CB 4.39Å; L36-V170 HydrophobicContact CD1-CB 4.34Å; L36-V170 HydrophobicContact CD1-CG1 3.97Å; L36-V170 HydrophobicContact CD1-CG2 3.81Å; L36-V170 HydrophobicContact CG-CG1 4.31Å; L36-V170 WeakPolarHBondContact O-CG1 3.43Å; L36-F174 HydrophobicContact CD2-CE2 4.39Å; L36-F174 HydrophobicContact CG-CE2 4.19Å
37L94.5Very high89.2Confident8 Ų856.2 Ų56.24%0.04231%0.314CS..Hα-helixtrans-62.6-44.9174.8-179.552.2000111.9L25 K33 S34 S39 F40 I41 K58 I73 D75 F174L25-L37 HydrophobicContact CD1-CB 3.88Å; L25-L37 HydrophobicContact CD1-CD2 4.4Å; K33-L37 PolarHBondContact O-N 3.26Å; S34-L37 PolarHBondContact O-N 2.97Å; L37-S39 PolarHBondContact O-N 3Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.07Å; L37-F40 PolarHBondContact O-N 2.97Å; L37-I41 HydrophobicContact CD1-CD1 3.79Å; L37-I41 HydrophobicContact CD1-CG1 4.16Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CB 3.46Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 2.67Å; L37-K58 HydrophobicContact CD2-CB 4.48Å; L37-K58 HydrophobicContact CD2-CG 3.87Å; L37-I73 HydrophobicContact CD1-CB 4.33Å; L37-I73 HydrophobicContact CD1-CD1 3.85Å; L37-I73 HydrophobicContact CD1-CG2 3.86Å; L37-I73 HydrophobicContact CD2-CG2 4.17Å; L37-D75 HydrophobicContact CD2-CB 3.75Å; L37-F174 HydrophobicContact CD1-CZ 4.41Å
38K92.6Very high88.5Confident127 Ų12757 Ų5755%0.55232%0.318SS*.Hα-helixtrans-60.7-46177-177.2-179.3175.5-178.30111.2S34 S35 F40 I41 Q42S34-K38 VanDerWaalsContact O-CB 3.31Å; S34-K38 WeakPolarHBondContact O-CB 3.34Å; S34-K38 PolarHBondContact O-N 2.91Å; S35-K38 PolarHBondContact O-N 3.19Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 3.49Å; K38-I41 PolarHBondContact O-N 3.27Å; K38-Q42 VanDerWaalsContact CE-NE2 3.25Å; K38-Q42 HydrophobicContact CG-CG 4.38Å; K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 VanDerWaalsContact O-CG 3.26Å; K38-Q42 WeakPolarHBondContact O-CG 3.33Å; K38-Q42 PolarHBondContact O-N 3.15Å
39S95.2Very high87.8Confident17 Ų1759.4 Ų59.412%0.11933%0.334CS..Hα-helixtrans-64.3-38.6178.3176.30000111.8S35 L36 L37 Q42 G43 A164S35-S39 VanDerWaalsContact O-CB 3.23Å; S35-S39 WeakPolarHBondContact O-CB 3.28Å; S35-S39 PolarHBondContact O-N 2.86Å; L36-S39 PolarHBondContact O-N 2.97Å; L37-S39 PolarHBondContact O-N 3Å; S39-Q42 PolarHBondContact O-N 3.28Å; S39-G43 PolarHBondContact O-N 3.47Å; S39-A164 WeakPolarHBondContact CB-O 3.36Å; S39-A164 PolarHBondContact OG-O 3.1Å
40F95.2Very high87.3Confident3 Ų360.2 Ų60.21%0.01333%0.334CS..Hα-helixtrans-60.3-49.1173.5174.3-119.2000111.8L36 L37 K38 Q42 G43 S44 Y60 L71 I73 V170 R171 F174L36-F40 WeakPolarHBondContact O-CB 3.19Å; L36-F40 PolarHBondContact O-N 2.72Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.07Å; L37-F40 PolarHBondContact O-N 2.97Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-F40 PolarHBondContact O-N 3.49Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 2.88Å; F40-G43 PolarHBondContact O-N 2.72Å; F40-S44 PolarHBondContact O-N 2.74Å; F40-Y60 HydrophobicContact CD1-CD2 4.48Å; F40-Y60 HydrophobicContact CD1-CE2 4.49Å; F40-Y60 AromaticContact CE1-CD1 3.59Å; F40-Y60 HydrophobicContact CE1-CD1 3.59Å; F40-Y60 AromaticContact CE1-CD2 3.88Å; F40-Y60 HydrophobicContact CE1-CD2 3.88Å; F40-Y60 AromaticContact CE1-CE1 3.66Å; F40-Y60 HydrophobicContact CE1-CE1 3.66Å; F40-Y60 AromaticContact CE1-CE2 3.97Å; F40-Y60 HydrophobicContact CE1-CE2 3.97Å; F40-Y60 AromaticContact CE1-CG 3.68Å; F40-Y60 HydrophobicContact CE1-CG 3.68Å; F40-Y60 AromaticContact CE1-CZ 3.87Å; F40-Y60 HydrophobicContact CE2-CE1 4.13Å; F40-Y60 AromaticContact CZ-CD1 3.58Å; F40-Y60 HydrophobicContact CZ-CD1 3.58Å; F40-Y60 HydrophobicContact CZ-CD2 4.44Å; F40-Y60 AromaticContact CZ-CE1 3.25Å; F40-Y60 HydrophobicContact CZ-CE1 3.25Å; F40-Y60 HydrophobicContact CZ-CE2 4.2Å; F40-Y60 HydrophobicContact CZ-CG 4.16Å; F40-Y60 AromaticContact CZ-CZ 3.62Å; F40-L71 HydrophobicContact CE1-CD1 4.38Å; F40-L71 HydrophobicContact CZ-CD1 4.28Å; F40-I73 HydrophobicContact CD1-CD1 4.16Å; F40-I73 HydrophobicContact CE1-CD1 3.86Å; F40-V170 HydrophobicContact CB-CG1 3.76Å; F40-R171 HydrophobicContact CE2-CG 4.29Å; F40-F174 HydrophobicContact CB-CD2 3.79Å; F40-F174 HydrophobicContact CB-CE2 3.51Å; F40-F174 HydrophobicContact CB-CZ 4.12Å; F40-F174 HydrophobicContact CD1-CD1 4Å; F40-F174 AromaticContact CD1-CD2 3.93Å; F40-F174 HydrophobicContact CD1-CD2 3.93Å; F40-F174 HydrophobicContact CD1-CE1 4.11Å; F40-F174 HydrophobicContact CD1-CE2 4.06Å; F40-F174 AromaticContact CD1-CG 3.92Å; F40-F174 HydrophobicContact CD1-CG 3.92Å; F40-F174 HydrophobicContact CD1-CZ 4.14Å; F40-F174 HydrophobicContact CD2-CB 4.02Å; F40-F174 AromaticContact CD2-CD2 3.51Å; F40-F174 HydrophobicContact CD2-CD2 3.51Å; F40-F174 HydrophobicContact CD2-CE2 4.16Å; F40-F174 AromaticContact CD2-CG 3.85Å; F40-F174 HydrophobicContact CD2-CG 3.85Å; F40-F174 HydrophobicContact CE1-CB 4.24Å; F40-F174 AromaticContact CE1-CD1 3.99Å; F40-F174 HydrophobicContact CE1-CD1 3.99Å; F40-F174 HydrophobicContact CE1-CD2 4.4Å; F40-F174 HydrophobicContact CE1-CE1 4.47Å; F40-F174 AromaticContact CE1-CG 3.96Å; F40-F174 HydrophobicContact CE1-CG 3.96Å; F40-F174 HydrophobicContact CE2-CB 3.6Å; F40-F174 HydrophobicContact CE2-CD2 4.03Å; F40-F174 AromaticContact CE2-CG 3.88Å; F40-F174 HydrophobicContact CE2-CG 3.88Å; F40-F174 HydrophobicContact CG-CB 4.48Å; F40-F174 HydrophobicContact CG-CD1 4.36Å; F40-F174 AromaticContact CG-CD2 3.45Å; F40-F174 HydrophobicContact CG-CD2 3.45Å; F40-F174 VanDerWaalsContact CG-CD2 3.45Å; F40-F174 AromaticContact CG-CE2 3.64Å; F40-F174 HydrophobicContact CG-CE2 3.64Å; F40-F174 AromaticContact CG-CG 3.85Å; F40-F174 HydrophobicContact CG-CG 3.85Å; F40-F174 HydrophobicContact CG-CZ 4.18Å; F40-F174 HydrophobicContact CZ-CB 3.72Å; F40-F174 HydrophobicContact CZ-CD1 4.34Å; F40-F174 HydrophobicContact CZ-CD2 4.43Å; F40-F174 AromaticContact CZ-CG 3.92Å; F40-F174 HydrophobicContact CZ-CG 3.92Å
41I91.6Very high86.7Confident39 Ų3957.1 Ų57.120%0.232%0.323CS..Hα-helixtrans-62.6-37.3177.4-75.7169.8000112L37 K38 S44 I50 K58 Y60L37-I41 HydrophobicContact CD1-CD1 3.79Å; L37-I41 HydrophobicContact CD1-CG1 4.16Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CB 3.46Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 2.67Å; K38-I41 PolarHBondContact O-N 3.27Å; I41-S44 PolarHBondContact O-OG 2.77Å; I41-I50 HydrophobicContact CB-CD1 3.95Å; I41-I50 HydrophobicContact CD1-CG2 4.34Å; I41-I50 HydrophobicContact CG1-CD1 4.05Å; I41-I50 HydrophobicContact CG1-CG2 4.37Å; I41-I50 HydrophobicContact CG2-CD1 3.47Å; I41-I50 VanDerWaalsContact CG2-CD1 3.47Å; I41-K58 HydrophobicContact CD1-CB 4.4Å; I41-K58 HydrophobicContact CD1-CG 4.11Å; I41-Y60 HydrophobicContact CG1-CD2 4.41Å
42Q89.2Confident85.7Confident133 Ų13361.6 Ų61.662%0.62135%0.35SS*.Hα-helixtrans-79.9-24.6-178.9-72.8179.2-36.500113.4K38 S39 F40 S44K38-Q42 VanDerWaalsContact CE-NE2 3.25Å; K38-Q42 HydrophobicContact CG-CG 4.38Å; K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 VanDerWaalsContact O-CG 3.26Å; K38-Q42 WeakPolarHBondContact O-CG 3.33Å; K38-Q42 PolarHBondContact O-N 3.15Å; S39-Q42 PolarHBondContact O-N 3.28Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 2.88Å; Q42-S44 VanDerWaalsContact C-N 3.31Å
43G85.9Confident84.7Confident50 Ų5065.3 Ų65.352%0.51537%0.371SS..THydrogen-bonded Turntrans-92.315.517500000113.7S39 F40S39-G43 PolarHBondContact O-N 3.47Å; F40-G43 PolarHBondContact O-N 2.72Å
44S80Confident83.6Confident30 Ų3066.5 Ų66.521%0.2138%0.384CS..SBendtrans-78.5151.7177.667.30000111.8F40 I41 Q42 Y60F40-S44 PolarHBondContact O-N 2.74Å; I41-S44 PolarHBondContact O-OG 2.77Å; Q42-S44 VanDerWaalsContact C-N 3.31Å; S44-Y60 WeakPolarHBondContact CB-OH 3.46Å
45D76.2Confident82.7Confident95 Ų9570.3 Ų70.351%0.50841%0.406SS..  trans-66.2150.4171.2-62.1-42.1000109.6N47 E48 R171D45-N47 PolarHBondContact O-N 2.94Å; D45-E48 HydrophobicContact CB-CG 4.23Å; D45-E48 PolarHBondContact N-OE2 3.19Å; D45-E48 PolarHBondContact O-N 3.14Å; D45-R171 IonicContact OD2-NH2 3.67Å
46E71.4Confident81.9Confident200 Ų20069 Ų6994%0.93539%0.394SS*.THydrogen-bonded Turntrans-57.7-22-180-63.9-178.1172.900113.1
47N72.5Confident81.5Confident150 Ų15070.1 Ų70.180%0.80240%0.399SS*.THydrogen-bonded Turntrans-90.43.9179.8-61.6-47.4000114.3D45 P49D45-N47 PolarHBondContact O-N 2.94Å; N47-P49 WeakPolarHBondContact O-CD 3.32Å
48E79Confident81.3Confident17 Ų1772 Ų728%0.07941%0.407CS..SBendtrans-102.393.2178.9-70.3-176.3148.200110D45 I50 Y60 E61 M62 R171D45-E48 HydrophobicContact CB-CG 4.23Å; D45-E48 PolarHBondContact N-OE2 3.19Å; D45-E48 PolarHBondContact O-N 3.14Å; E48-I50 WeakPolarHBondContact O-CG1 3.29Å; E48-Y60 PolarHBondContact OE2-OH 3.39Å; E48-E61 WeakPolarHBondContact CA-O 3.44Å; E48-E61 VanDerWaalsContact CB-O 3.29Å; E48-E61 WeakPolarHBondContact CB-O 3.47Å; E48-M62 HydrophobicContact CG-CB 4.48Å; E48-M62 VanDerWaalsContact OE1-CB 3.26Å; E48-M62 WeakPolarHBondContact OE1-CB 3.45Å; E48-R171 VanDerWaalsContact CD-NH2 3.3Å; E48-R171 IonicContact OE1-CZ 2.95Å; E48-R171 IonicContact OE1-NH1 2.73Å; E48-R171 IonicContact OE1-NH2 3.38Å; E48-R171 PolarHBondContact OE1-NH2 2.75Å; E48-R171 IonicContact OE2-CZ 3.94Å; E48-R171 IonicContact OE2-NH1 3.16Å; E48-R171 PolarHBondContact OE2-NH1 3.23Å; E48-R171 IonicContact OE2-NH2 3.56Å; E48-R171 PolarHBondContact OE2-NH2 3.11Å; E48-R171 VanDerWaalsContact OE2-NH2 3.16Å
49P75.5Confident81.3Confident72 Ų7266.9 Ų66.947%0.46839%0.385SS..  trans-68.5144.8-171.927.1-34.4000112N47 E61N47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-E61 HydrophobicContact CG-CB 3.95Å; P49-E61 HydrophobicContact CG-CG 4.07Å; P49-E61 PolarHBondContact O-N 3.43Å; P49-E61 VanDerWaalsContact O-N 3.14Å
50I78.8Confident81.2Confident61 Ų6166 Ų6631%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-125.4122-178-48.4-179.3000108.3I41 E48 L59 Y60I41-I50 HydrophobicContact CB-CD1 3.95Å; I41-I50 HydrophobicContact CD1-CG2 4.34Å; I41-I50 HydrophobicContact CG1-CD1 4.05Å; I41-I50 HydrophobicContact CG1-CG2 4.37Å; I41-I50 HydrophobicContact CG2-CD1 3.47Å; I41-I50 VanDerWaalsContact CG2-CD1 3.47Å; E48-I50 WeakPolarHBondContact O-CG1 3.29Å; I50-L59 WeakPolarHBondContact CA-O 3.45Å; I50-Y60 HydrophobicContact CD1-CD2 3.78Å; I50-Y60 HydrophobicContact CD1-CE2 3.71Å; I50-Y60 HydrophobicContact CG1-CD2 3.64Å; I50-Y60 HydrophobicContact CG1-CE2 3.88Å
51S79.8Confident81.1Confident60 Ų6067.3 Ų67.342%0.4239%0.386SS..EExtended strand (participates in β ladder)trans-117128.1177.8-68.70000110.1V53 L59S51-V53 PolarHBondContact O-N 2.93Å; S51-L59 PolarHBondContact N-O 3.49Å; S51-L59 PolarHBondContact O-N 2.92Å
52T73.1Confident81Confident96 Ų9665.6 Ų65.659%0.58938%0.377SS*.EExtended strand (participates in β ladder)trans-84.2111.3169.7-67.20000108.4G54 K58T52-G54 VanDerWaalsContact CG2-O 3.28Å; T52-G54 WeakPolarHBondContact CG2-O 3.37Å; T52-K58 HydrophobicContact CG2-CD 4.45Å; T52-K58 VanDerWaalsContact CG2-NZ 3.26Å; T52-K58 PolarHBondContact OG1-NZ 3.08Å
53V72.2Confident81.1Confident90 Ų9067.1 Ų67.155%0.54538%0.377SS..  trans-90.2-29.7178.5-178.70000110.8S51 L57 L59S51-V53 PolarHBondContact O-N 2.93Å; V53-L57 HydrophobicContact CB-CD2 3.99Å; V53-L57 HydrophobicContact CB-CG 4.12Å; V53-L57 HydrophobicContact CG1-CD2 3.95Å; V53-L57 PolarHBondContact N-O 3.3Å; V53-L59 HydrophobicContact CG2-CB 3.85Å
54G71.3Confident81.2Confident30 Ų3065.3 Ų65.331%0.30936%0.355SS..SBendtrans-159.9-178.9173.700000111.4T52 D56 L57T52-G54 VanDerWaalsContact CG2-O 3.28Å; T52-G54 WeakPolarHBondContact CG2-O 3.37Å; G54-D56 VanDerWaalsContact C-N 3.3Å; G54-D56 PolarHBondContact O-N 3.16Å; G54-L57 PolarHBondContact N-O 2.63Å; G54-L57 PolarHBondContact O-N 3.29Å
55T72.3Confident81.5Confident132 Ų13270.8 Ų70.881%0.8138%0.382SS*.SBendtrans-56.8-44.7-178.1-500000111.9
56D77.6Confident81.7Confident40 Ų4073.1 Ų73.121%0.21440%0.395CS..SBendtrans-100-10.6-176-52-35.4000113.8G54 W74 D75 Y90G54-D56 VanDerWaalsContact C-N 3.3Å; G54-D56 PolarHBondContact O-N 3.16Å; D56-W74 HydrophobicContact CB-CE3 4.3Å; D56-D75 PolarHBondContact O-N 3.13Å; D56-D75 VanDerWaalsContact O-N 3.11Å; D56-Y90 PolarHBondContact OD2-OH 3.26Å
57L86.6Confident82.5Confident22 Ų2266.7 Ų66.712%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-110.8116.5-172.8177.759000111.2V53 G54 Y72 W74V53-L57 HydrophobicContact CB-CD2 3.99Å; V53-L57 HydrophobicContact CB-CG 4.12Å; V53-L57 HydrophobicContact CG1-CD2 3.95Å; V53-L57 PolarHBondContact N-O 3.3Å; G54-L57 PolarHBondContact N-O 2.63Å; G54-L57 PolarHBondContact O-N 3.29Å; L57-Y72 HydrophobicContact CD1-CD1 4.42Å; L57-W74 HydrophobicContact CB-CD2 4.46Å; L57-W74 HydrophobicContact CB-CE3 4.31Å; L57-W74 HydrophobicContact CB-CH2 4.38Å; L57-W74 HydrophobicContact CB-CZ2 4.47Å; L57-W74 HydrophobicContact CB-CZ3 4.26Å; L57-W74 HydrophobicContact CD1-CD2 4.14Å; L57-W74 HydrophobicContact CD1-CG 4.28Å; L57-W74 HydrophobicContact CD1-CZ2 4.34Å; L57-W74 HydrophobicContact CD2-CH2 4.35Å; L57-W74 HydrophobicContact CD2-CZ2 3.93Å; L57-W74 HydrophobicContact CG-CZ2 4.48Å
58K90.9Very high83.3Confident48 Ų4861.7 Ų61.721%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-105.3133.5170.4-55-53.5-177.8-167.80110L37 I41 T52 I73L37-K58 HydrophobicContact CD2-CB 4.48Å; L37-K58 HydrophobicContact CD2-CG 3.87Å; I41-K58 HydrophobicContact CD1-CB 4.4Å; I41-K58 HydrophobicContact CD1-CG 4.11Å; T52-K58 HydrophobicContact CG2-CD 4.45Å; T52-K58 VanDerWaalsContact CG2-NZ 3.26Å; T52-K58 PolarHBondContact OG1-NZ 3.08Å; K58-I73 PolarHBondContact N-O 3.47Å; K58-I73 PolarHBondContact O-N 3.09Å
59L92.5Very high84Confident19 Ų1960.9 Ų60.910%0.09933%0.334CS..EExtended strand (participates in β ladder)trans-99.7124.4166.4171.660.8000107.7I50 S51 V53 K70 L71 Y72I50-L59 WeakPolarHBondContact CA-O 3.45Å; S51-L59 PolarHBondContact N-O 3.49Å; S51-L59 PolarHBondContact O-N 2.92Å; V53-L59 HydrophobicContact CG2-CB 3.85Å; L59-K70 HydrophobicContact CD1-CB 3.98Å; L59-K70 HydrophobicContact CD1-CG 4.4Å; L59-L71 WeakPolarHBondContact CA-O 3.44Å; L59-Y72 HydrophobicContact CD1-CD1 4.27Å; L59-Y72 HydrophobicContact CD1-CD2 4.26Å; L59-Y72 HydrophobicContact CD1-CE1 3.99Å; L59-Y72 HydrophobicContact CD1-CE2 3.97Å; L59-Y72 HydrophobicContact CD1-CG 4.41Å
60Y93.2Very high85Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-127.6128.2179.7-175.9-88.3000109.6F40 I41 S44 E48 I50 M62 L71 R171F40-Y60 HydrophobicContact CD1-CD2 4.48Å; F40-Y60 HydrophobicContact CD1-CE2 4.49Å; F40-Y60 AromaticContact CE1-CD1 3.59Å; F40-Y60 HydrophobicContact CE1-CD1 3.59Å; F40-Y60 AromaticContact CE1-CD2 3.88Å; F40-Y60 HydrophobicContact CE1-CD2 3.88Å; F40-Y60 AromaticContact CE1-CE1 3.66Å; F40-Y60 HydrophobicContact CE1-CE1 3.66Å; F40-Y60 AromaticContact CE1-CE2 3.97Å; F40-Y60 HydrophobicContact CE1-CE2 3.97Å; F40-Y60 AromaticContact CE1-CG 3.68Å; F40-Y60 HydrophobicContact CE1-CG 3.68Å; F40-Y60 AromaticContact CE1-CZ 3.87Å; F40-Y60 HydrophobicContact CE2-CE1 4.13Å; F40-Y60 AromaticContact CZ-CD1 3.58Å; F40-Y60 HydrophobicContact CZ-CD1 3.58Å; F40-Y60 HydrophobicContact CZ-CD2 4.44Å; F40-Y60 AromaticContact CZ-CE1 3.25Å; F40-Y60 HydrophobicContact CZ-CE1 3.25Å; F40-Y60 HydrophobicContact CZ-CE2 4.2Å; F40-Y60 HydrophobicContact CZ-CG 4.16Å; F40-Y60 AromaticContact CZ-CZ 3.62Å; I41-Y60 HydrophobicContact CG1-CD2 4.41Å; S44-Y60 WeakPolarHBondContact CB-OH 3.46Å; E48-Y60 PolarHBondContact OE2-OH 3.39Å; I50-Y60 HydrophobicContact CD1-CD2 3.78Å; I50-Y60 HydrophobicContact CD1-CE2 3.71Å; I50-Y60 HydrophobicContact CG1-CD2 3.64Å; I50-Y60 HydrophobicContact CG1-CE2 3.88Å; Y60-M62 HydrophobicContact CD1-CB 4.26Å; Y60-M62 HydrophobicContact CD1-CG 4.36Å; Y60-M62 HydrophobicContact CE1-CB 3.75Å; Y60-M62 HydrophobicContact CE1-CG 4.18Å; Y60-M62 HydrophobicContact CE1-SD 4.25Å; Y60-L71 HydrophobicContact CD1-CD1 4.4Å; Y60-L71 PolarHBondContact N-O 2.99Å; Y60-L71 PolarHBondContact O-N 2.95Å; Y60-R171 PolarHBondContact OH-NH1 3.39Å
61E92.5Very high85.8Confident30 Ų3056.8 Ų56.814%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-109.6129.2179.6-41.6-158.9175.500110.7E48 P49 L68 V69 K70E48-E61 WeakPolarHBondContact CA-O 3.44Å; E48-E61 VanDerWaalsContact CB-O 3.29Å; E48-E61 WeakPolarHBondContact CB-O 3.47Å; P49-E61 HydrophobicContact CG-CB 3.95Å; P49-E61 HydrophobicContact CG-CG 4.07Å; P49-E61 PolarHBondContact O-N 3.43Å; P49-E61 VanDerWaalsContact O-N 3.14Å; E61-L68 HydrophobicContact CB-CD1 4.25Å; E61-V69 WeakPolarHBondContact CA-O 3.26Å; E61-K70 HydrophobicContact CB-CG 4.47Å; E61-K70 HydrophobicContact CG-CG 3.9Å; E61-K70 IonicContact OE1-NZ 2.64Å; E61-K70 PolarHBondContact OE1-NZ 2.8Å; E61-K70 WeakPolarHBondContact OE2-CE 3.47Å; E61-K70 IonicContact OE2-NZ 2.7Å; E61-K70 PolarHBondContact OE2-NZ 2.8Å
62M91.4Very high86.5Confident2 Ų256.7 Ų56.71%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-140.9161.1178.759.3177.1-172.400111.9E48 Y60 L64 V69 L71 I175 A178E48-M62 HydrophobicContact CG-CB 4.48Å; E48-M62 VanDerWaalsContact OE1-CB 3.26Å; E48-M62 WeakPolarHBondContact OE1-CB 3.45Å; Y60-M62 HydrophobicContact CD1-CB 4.26Å; Y60-M62 HydrophobicContact CD1-CG 4.36Å; Y60-M62 HydrophobicContact CE1-CB 3.75Å; Y60-M62 HydrophobicContact CE1-CG 4.18Å; Y60-M62 HydrophobicContact CE1-SD 4.25Å; M62-L64 HydrophobicContact CE-CD1 3.47Å; M62-L64 VanDerWaalsContact CE-CD1 3.47Å; M62-L64 HydrophobicContact CE-CD2 4.08Å; M62-L64 HydrophobicContact CE-CG 3.73Å; M62-L64 HydrophobicContact CG-CG 4.5Å; M62-L64 HydrophobicContact SD-CD2 4.21Å; M62-L64 HydrophobicContact SD-CG 4.29Å; M62-V69 HydrophobicContact CE-CG1 4.32Å; M62-V69 HydrophobicContact CG-CB 4.42Å; M62-V69 PolarHBondContact N-O 2.59Å; M62-V69 PolarHBondContact O-N 2.89Å; M62-L71 HydrophobicContact CE-CD1 3.64Å; M62-L71 HydrophobicContact CE-CD2 4Å; M62-L71 HydrophobicContact CE-CG 3.91Å; M62-L71 HydrophobicContact SD-CD1 4.16Å; M62-I175 HydrophobicContact SD-CG1 4.35Å; M62-A178 HydrophobicContact CE-CB 3.56Å
63R89.3Confident87.5Confident165 Ų16552.1 Ų52.162%0.62327%0.27SS*.EExtended strand (participates in β ladder)trans-97124.7170.9-75.3-174.7171.8128.20.3110.7E13 E67E13-R63 IonicContact OE1-NH2 3.09Å; R63-E67 WeakPolarHBondContact CA-O 3.39Å
64L89.4Confident88.4Confident12 Ų1250.7 Ų50.76%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-120.4125.6168.9-67.1-173.4000109.1M62 N66 E67 V69 I175 A178 I182M62-L64 HydrophobicContact CE-CD1 3.47Å; M62-L64 VanDerWaalsContact CE-CD1 3.47Å; M62-L64 HydrophobicContact CE-CD2 4.08Å; M62-L64 HydrophobicContact CE-CG 3.73Å; M62-L64 HydrophobicContact CG-CG 4.5Å; M62-L64 HydrophobicContact SD-CD2 4.21Å; M62-L64 HydrophobicContact SD-CG 4.29Å; L64-N66 PolarHBondContact O-N 2.92Å; L64-N66 VanDerWaalsContact O-N 3.16Å; L64-E67 PolarHBondContact N-O 3.48Å; L64-E67 WeakPolarHBondContact O-CB 3.48Å; L64-E67 PolarHBondContact O-N 2.9Å; L64-V69 HydrophobicContact CB-CG2 4.1Å; L64-V69 HydrophobicContact CD1-CG2 4.31Å; L64-V69 HydrophobicContact CG-CG2 4.26Å; L64-I175 HydrophobicContact CD2-CB 4.38Å; L64-I175 HydrophobicContact CD2-CD1 4.46Å; L64-I175 HydrophobicContact CD2-CG1 4.05Å; L64-I175 HydrophobicContact CD2-CG2 3.84Å; L64-A178 HydrophobicContact CD1-CB 3.61Å; L64-I182 HydrophobicContact CD1-CD1 4.1Å
65N85Confident89.2Confident145 Ų14550.3 Ų50.378%0.77525%0.245SC*.THydrogen-bonded Turntrans48.342.8-179.6-57.1-29000113E67N65-E67 PolarHBondContact O-N 3.29Å
66N82.3Confident89.3Confident145 Ų14544.3 Ų44.378%0.77521%0.209SC*.THydrogen-bonded Turntrans65.69.1-176.6-61.845.7000116L64L64-N66 PolarHBondContact O-N 2.92Å; L64-N66 VanDerWaalsContact O-N 3.16Å
67E87.1Confident88.5Confident64 Ų6443 Ų4330%0.29920%0.203SC..EExtended strand (participates in β ladder)trans-101.2139.6172.2-63.6-177.9138.900111.1K19 R63 L64 N65 V69K19-E67 WeakPolarHBondContact CE-OE2 3.18Å; K19-E67 VanDerWaalsContact NZ-CD 3.27Å; K19-E67 IonicContact NZ-OE1 3.74Å; K19-E67 PolarHBondContact NZ-OE1 2.91Å; K19-E67 VanDerWaalsContact NZ-OE1 3.09Å; K19-E67 IonicContact NZ-OE2 3.59Å; K19-E67 PolarHBondContact NZ-OE2 2.87Å; R63-E67 WeakPolarHBondContact CA-O 3.39Å; L64-E67 PolarHBondContact N-O 3.48Å; L64-E67 WeakPolarHBondContact O-CB 3.48Å; L64-E67 PolarHBondContact O-N 2.9Å; N65-E67 PolarHBondContact O-N 3.29Å; E67-V69 PolarHBondContact O-N 3.45Å
68L90.5Very high86.9Confident46 Ų4644.3 Ų44.324%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-78119.8173.7-177.265.5000110.6S18 K19 E61S18-L68 VanDerWaalsContact CA-O 3.29Å; S18-L68 WeakPolarHBondContact CA-O 3.23Å; S18-L68 PolarHBondContact OG-O 3.3Å; K19-L68 PolarHBondContact N-O 3.15Å; E61-L68 HydrophobicContact CB-CD1 4.25Å
69V93.7Very high85.1Confident0 Ų043.2 Ų43.20%022%0.219CC..EExtended strand (participates in β ladder)trans-115.7125.3-179.4-176.80000109.8K19 I21 E61 M62 L64 E67 L71 I182K19-V69 HydrophobicContact CB-CG2 4.48Å; K19-V69 CarbonylContact O-C 3.5Å; K19-V69 WeakPolarHBondContact O-CA 3.31Å; I21-V69 HydrophobicContact CD1-CG1 3.64Å; I21-V69 HydrophobicContact CG1-CG1 4.09Å; E61-V69 WeakPolarHBondContact CA-O 3.26Å; M62-V69 HydrophobicContact CE-CG1 4.32Å; M62-V69 HydrophobicContact CG-CB 4.42Å; M62-V69 PolarHBondContact N-O 2.59Å; M62-V69 PolarHBondContact O-N 2.89Å; L64-V69 HydrophobicContact CB-CG2 4.1Å; L64-V69 HydrophobicContact CD1-CG2 4.31Å; L64-V69 HydrophobicContact CG-CG2 4.26Å; E67-V69 PolarHBondContact O-N 3.45Å; V69-L71 HydrophobicContact CG1-CD2 3.88Å; V69-I182 HydrophobicContact CG2-CD1 3.88Å
70K94.8Very high82.8Confident46 Ų4646.2 Ų46.220%0.223%0.232CC..EExtended strand (participates in β ladder)trans-100.7109.5174.5-73.5173.2-164.7-103.20109.6S18 K19 R20 I21 L59 E61 Y72S18-K70 WeakPolarHBondContact OG-CD 2.9Å; S18-K70 VanDerWaalsContact OG-CE 3.27Å; S18-K70 WeakPolarHBondContact OG-CE 3.35Å; S18-K70 VanDerWaalsContact OG-CG 3.3Å; S18-K70 WeakPolarHBondContact OG-CG 3.43Å; K19-K70 PolarHBondContact O-N 2.65Å; R20-K70 WeakPolarHBondContact CA-O 3.34Å; R20-K70 HydrophobicContact CG-CB 4.4Å; I21-K70 PolarHBondContact N-O 3.35Å; L59-K70 HydrophobicContact CD1-CB 3.98Å; L59-K70 HydrophobicContact CD1-CG 4.4Å; E61-K70 HydrophobicContact CB-CG 4.47Å; E61-K70 HydrophobicContact CG-CG 3.9Å; E61-K70 IonicContact OE1-NZ 2.64Å; E61-K70 PolarHBondContact OE1-NZ 2.8Å; E61-K70 WeakPolarHBondContact OE2-CE 3.47Å; E61-K70 IonicContact OE2-NZ 2.7Å; E61-K70 PolarHBondContact OE2-NZ 2.8Å; K70-Y72 HydrophobicContact CB-CE2 4.23Å
71L95.5Very high80.9Confident1 Ų156.8 Ų56.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-89.1122.2174.7-58.7-173.7000110.7I21 I23 F40 L59 Y60 M62 V69 I73 A178I21-L71 HydrophobicContact CB-CD2 3.9Å; I21-L71 HydrophobicContact CD1-CD2 4.33Å; I21-L71 HydrophobicContact CG2-CD2 4.31Å; I21-L71 WeakPolarHBondContact O-CA 3.35Å; I23-L71 HydrophobicContact CD1-CD1 4.48Å; F40-L71 HydrophobicContact CE1-CD1 4.38Å; F40-L71 HydrophobicContact CZ-CD1 4.28Å; L59-L71 WeakPolarHBondContact CA-O 3.44Å; Y60-L71 HydrophobicContact CD1-CD1 4.4Å; Y60-L71 PolarHBondContact N-O 2.99Å; Y60-L71 PolarHBondContact O-N 2.95Å; M62-L71 HydrophobicContact CE-CD1 3.64Å; M62-L71 HydrophobicContact CE-CD2 4Å; M62-L71 HydrophobicContact CE-CG 3.91Å; M62-L71 HydrophobicContact SD-CD1 4.16Å; V69-L71 HydrophobicContact CG1-CD2 3.88Å; L71-I73 HydrophobicContact CB-CD1 4.09Å; L71-I73 HydrophobicContact CB-CG1 3.84Å; L71-I73 HydrophobicContact CD1-CD1 4.27Å; L71-A178 HydrophobicContact CD2-CB 4.1Å
72Y94.6Very high78.8Confident58 Ų5860.5 Ų60.523%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-98.499.7168.9-69.3-95.2000108.4R20 I21 I23 L57 L59 K70R20-Y72 HydrophobicContact CB-CD2 4.49Å; R20-Y72 HydrophobicContact CB-CE2 4.02Å; R20-Y72 HydrophobicContact CG-CE2 4.06Å; I21-Y72 PolarHBondContact O-N 3.01Å; I23-Y72 PolarHBondContact N-O 2.94Å; I23-Y72 VanDerWaalsContact O-O 3.13Å; L57-Y72 HydrophobicContact CD1-CD1 4.42Å; L59-Y72 HydrophobicContact CD1-CD1 4.27Å; L59-Y72 HydrophobicContact CD1-CD2 4.26Å; L59-Y72 HydrophobicContact CD1-CE1 3.99Å; L59-Y72 HydrophobicContact CD1-CE2 3.97Å; L59-Y72 HydrophobicContact CD1-CG 4.41Å; K70-Y72 HydrophobicContact CB-CE2 4.23Å
73I94.1Very high76.8Confident0 Ų069.8 Ų69.80%032%0.323CS..EExtended strand (participates in β ladder)trans-102.9117.3-169.3-44.5-178.6000109.6I23 L25 L37 F40 K58 L71 F174I23-I73 HydrophobicContact CD1-CB 4.35Å; I23-I73 HydrophobicContact CD1-CD1 4.18Å; I23-I73 HydrophobicContact CD1-CG1 3.8Å; I23-I73 HydrophobicContact CD1-CG2 4.02Å; I23-I73 HydrophobicContact CG1-CB 4.08Å; I23-I73 HydrophobicContact CG1-CG1 3.85Å; I23-I73 HydrophobicContact CG1-CG2 3.95Å; L25-I73 HydrophobicContact CD1-CG2 4.32Å; L25-I73 HydrophobicContact CD2-CG2 4.38Å; L25-I73 HydrophobicContact CG-CG2 4.18Å; L37-I73 HydrophobicContact CD1-CB 4.33Å; L37-I73 HydrophobicContact CD1-CD1 3.85Å; L37-I73 HydrophobicContact CD1-CG2 3.86Å; L37-I73 HydrophobicContact CD2-CG2 4.17Å; F40-I73 HydrophobicContact CD1-CD1 4.16Å; F40-I73 HydrophobicContact CE1-CD1 3.86Å; K58-I73 PolarHBondContact N-O 3.47Å; K58-I73 PolarHBondContact O-N 3.09Å; L71-I73 HydrophobicContact CB-CD1 4.09Å; L71-I73 HydrophobicContact CB-CG1 3.84Å; L71-I73 HydrophobicContact CD1-CD1 4.27Å; I73-F174 HydrophobicContact CD1-CD1 4.13Å; I73-F174 HydrophobicContact CD1-CE1 3.95Å; I73-F174 HydrophobicContact CG2-CE1 4.17Å
74W91.5Very high75.1Confident60 Ų6069 Ų6923%0.22733%0.332CS..EExtended strand (participates in β ladder)trans-98113.7173.5-67.983.6000110.5I23 I24 L25 D56 L57 Y90I23-W74 PolarHBondContact O-N 3.21Å; I24-W74 HydrophobicContact CG2-CB 4.11Å; L25-W74 PolarHBondContact N-O 2.94Å; D56-W74 HydrophobicContact CB-CE3 4.3Å; L57-W74 HydrophobicContact CB-CD2 4.46Å; L57-W74 HydrophobicContact CB-CE3 4.31Å; L57-W74 HydrophobicContact CB-CH2 4.38Å; L57-W74 HydrophobicContact CB-CZ2 4.47Å; L57-W74 HydrophobicContact CB-CZ3 4.26Å; L57-W74 HydrophobicContact CD1-CD2 4.14Å; L57-W74 HydrophobicContact CD1-CG 4.28Å; L57-W74 HydrophobicContact CD1-CZ2 4.34Å; L57-W74 HydrophobicContact CD2-CH2 4.35Å; L57-W74 HydrophobicContact CD2-CZ2 3.93Å; L57-W74 HydrophobicContact CG-CZ2 4.48Å; W74-Y90 AromaticContact CD2-CD1 3.94Å; W74-Y90 HydrophobicContact CD2-CD1 3.94Å; W74-Y90 HydrophobicContact CD2-CE1 4.46Å; W74-Y90 AromaticContact CE3-CD1 3.31Å; W74-Y90 HydrophobicContact CE3-CD1 3.31Å; W74-Y90 AromaticContact CE3-CE1 3.42Å; W74-Y90 HydrophobicContact CE3-CE1 3.42Å; W74-Y90 VanDerWaalsContact CE3-CE1 3.42Å; W74-Y90 HydrophobicContact CH2-CD1 4.44Å; W74-Y90 HydrophobicContact CH2-CE1 4.45Å; W74-Y90 AromaticContact CZ3-CD1 3.62Å; W74-Y90 HydrophobicContact CZ3-CD1 3.62Å; W74-Y90 AromaticContact CZ3-CE1 3.42Å; W74-Y90 HydrophobicContact CZ3-CE1 3.42Å; W74-Y90 VanDerWaalsContact CZ3-CE1 3.42Å
75D88.5Confident73.4Confident21 Ų2175 Ų7511%0.11236%0.359CS..EExtended strand (participates in β ladder)trans-90.4103.8171.7-178.120.7000110.8L25 S34 L37 D56 A77L25-D75 HydrophobicContact CD1-CB 4.31Å; S34-D75 WeakPolarHBondContact CA-OD2 3.22Å; S34-D75 WeakPolarHBondContact CB-OD2 3.42Å; S34-D75 PolarHBondContact OG-OD2 3.06Å; L37-D75 HydrophobicContact CD2-CB 3.75Å; D56-D75 PolarHBondContact O-N 3.13Å; D56-D75 VanDerWaalsContact O-N 3.11Å; D75-A77 VanDerWaalsContact C-N 3.28Å; D75-A77 PolarHBondContact O-N 2.93Å; D75-A77 PolarHBondContact OD1-N 3.27Å
76T73.8Confident72.2Confident7 Ų769.3 Ų69.34%0.04333%0.328CS..G310 helixtrans-78.8-9.5-176.667.70000113.7L25 V26 G78 T79 M86L25-T76 WeakPolarHBondContact O-CB 3.41Å; L25-T76 VanDerWaalsContact O-CG2 3.28Å; L25-T76 WeakPolarHBondContact O-CG2 3.47Å; L25-T76 PolarHBondContact O-OG1 2.84Å; V26-T76 HydrophobicContact CG1-CG2 4.49Å; T76-G78 PolarHBondContact O-N 3.35Å; T76-T79 PolarHBondContact O-N 3.18Å; T76-T79 PolarHBondContact O-OG1 2.92Å; T76-M86 HydrophobicContact CG2-CE 3.6Å
77A61Low71.4Confident13 Ų1365.1 Ų65.111%0.10731%0.309CS..G310 helixtrans-65.7-20.6-179.400000113.7K33 S34 D75 T79K33-A77 HydrophobicContact CB-CB 4Å; K33-A77 VanDerWaalsContact CE-CB 3.48Å; S34-A77 VanDerWaalsContact OG-CB 3.29Å; S34-A77 WeakPolarHBondContact OG-CB 3.44Å; D75-A77 VanDerWaalsContact C-N 3.28Å; D75-A77 PolarHBondContact O-N 2.93Å; D75-A77 PolarHBondContact OD1-N 3.27Å; A77-T79 PolarHBondContact O-N 2.94Å
78G52.5Low70.6Confident48 Ų4865.2 Ų65.250%0.49532%0.315SS..G310 helixtrans-63.8-17.9175.800000114.6T76T76-G78 PolarHBondContact O-N 3.35Å
79T53.7Low70.1Confident26 Ų2665.8 Ų65.816%0.1632%0.324CS..G310 helixtrans-123.117.9-170.855.70000114.7T76 A77 R81 F82T76-T79 PolarHBondContact O-N 3.18Å; T76-T79 PolarHBondContact O-OG1 2.92Å; A77-T79 PolarHBondContact O-N 2.94Å; T79-R81 PolarHBondContact O-N 2.97Å; T79-F82 PolarHBondContact O-N 2.6Å
80E45.3Very low69.5Low81 Ų8167.6 Ų67.638%0.37933%0.33SS..G310 helixtrans-55.5-16.5172.767-156.7-171.900114.5S29 F82 R83S29-E80 WeakPolarHBondContact CA-OE2 3.5Å; S29-E80 WeakPolarHBondContact CB-OE2 3.09Å; S29-E80 PolarHBondContact OG-OE1 3.31Å; S29-E80 PolarHBondContact OG-OE2 3.33Å; E80-F82 PolarHBondContact O-N 3.32Å; E80-R83 PolarHBondContact O-N 3.22Å; E80-R83 VanDerWaalsContact O-N 3.14Å
81R53.5Low69.1Low223 Ų22365.4 Ų65.484%0.84232%0.321SS*.G310 helixtrans-52.2-15.2164.6-59.8-168.3-155.3-1515.4112.8T79T79-R81 PolarHBondContact O-N 2.97Å
82F46.6Very low68.6Low107 Ų10772.7 Ų72.747%0.46935%0.348SS..G310 helixtrans-127.360.7173.9-47.7-71000111.7T79 E80 N84 H85 M86T79-F82 PolarHBondContact O-N 2.6Å; E80-F82 PolarHBondContact O-N 3.32Å; F82-N84 PolarHBondContact O-N 3.46Å; F82-H85 HydrophobicContact CB-CB 3.62Å; F82-H85 AromaticContact CD1-ND1 3.63Å; F82-H85 HydrophobicContact CG-CB 4.25Å; F82-H85 CarbonylContact O-C 3.4Å; F82-H85 PolarHBondContact O-N 3.37Å; F82-M86 PolarHBondContact O-N 3.43Å
83R50.7Low68.3Low198 Ų19877 Ų7775%0.74737%0.37SS*.THydrogen-bonded Turntrans-42.9-32.5165.2-84.1-172.6176.693.2-1.3112.9E80E80-R83 PolarHBondContact O-N 3.22Å; E80-R83 VanDerWaalsContact O-N 3.14Å
84N53.2Low68.3Low149 Ų14977.4 Ų77.480%0.79737%0.374SS*.THydrogen-bonded Turntrans-96-4.7178.1-61.6-10.1000114.6F82F82-N84 PolarHBondContact O-N 3.46Å
85H53.3Low68.5Low137 Ų13777.1 Ų77.163%0.63438%0.375SS*.  trans-132.337-179.8-36.388.9000113.7F82 C87F82-H85 HydrophobicContact CB-CB 3.62Å; F82-H85 AromaticContact CD1-ND1 3.63Å; F82-H85 HydrophobicContact CG-CB 4.25Å; F82-H85 CarbonylContact O-C 3.4Å; F82-H85 PolarHBondContact O-N 3.37Å; H85-C87 PolarHBondContact O-N 2.96Å
86M61Low69Low25 Ų2576.1 Ų76.112%0.12337%0.37CS..  trans-58.4114.3160.8-87.6-170.471.300108.5V26 T76 F82 P88 F91 W115 M118V26-M86 HydrophobicContact CG1-CE 4.49Å; T76-M86 HydrophobicContact CG2-CE 3.6Å; F82-M86 PolarHBondContact O-N 3.43Å; M86-P88 VanDerWaalsContact O-CD 3.25Å; M86-P88 WeakPolarHBondContact O-CD 3.3Å; M86-F91 HydrophobicContact CE-CE2 3.67Å; M86-F91 HydrophobicContact CE-CZ 3.62Å; M86-W115 HydrophobicContact CE-CZ3 4.11Å; M86-W115 HydrophobicContact SD-CH2 3.74Å; M86-W115 HydrophobicContact SD-CZ3 3.39Å; M86-W115 WeakPolarHBondContact SD-CZ3 3.41Å; M86-M118 HydrophobicContact CB-CE 4.25Å; M86-M118 HydrophobicContact SD-CE 4.35Å
87C65.6Low70Confident57 Ų5775.8 Ų75.839%0.38537%0.367SS..  trans-63.9122-174.6-1650000109.4H85 S89 Y90H85-C87 PolarHBondContact O-N 2.96Å; C87-S89 PolarHBondContact O-N 2.85Å; C87-S89 PolarHBondContact SG-OG 3.3Å; C87-Y90 HydrophobicContact CB-CD2 3.74Å; C87-Y90 HydrophobicContact CB-CE2 3.65Å; C87-Y90 WeakPolarHBondContact O-CD2 3.29Å; C87-Y90 PolarHBondContact O-N 2.94Å
88P70Confident71.8Confident66 Ų6675.1 Ų75.143%0.42936%0.362SS..Hα-helixtrans-51.6-20.6174.8-32.239.3000114.1M86 Y90 F91 R92M86-P88 VanDerWaalsContact O-CD 3.25Å; M86-P88 WeakPolarHBondContact O-CD 3.3Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.81Å; P88-F91 PolarHBondContact O-N 2.84Å; P88-R92 PolarHBondContact O-N 2.88Å
89S78.5Confident73.9Confident59 Ų5972.9 Ų72.941%0.41334%0.339SS..Hα-helixtrans-62.1-31.1176.168.50000113.8K22 C87 F91 R92K22-S89 PolarHBondContact NZ-O 3.21Å; C87-S89 PolarHBondContact O-N 2.85Å; C87-S89 PolarHBondContact SG-OG 3.3Å; S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 2.8Å; S89-R92 PolarHBondContact O-N 2.98Å
90Y82.5Confident76Confident37 Ų3771.6 Ų71.615%0.14533%0.331CS..Hα-helixtrans-60.8-43.4178.2-66.9-63000110.8K22 I24 D56 W74 C87 P88K22-Y90 WeakPolarHBondContact CE-O 3.14Å; K22-Y90 PolarHBondContact NZ-O 3.04Å; I24-Y90 WeakPolarHBondContact CG2-O 3.24Å; D56-Y90 PolarHBondContact OD2-OH 3.26Å; W74-Y90 AromaticContact CD2-CD1 3.94Å; W74-Y90 HydrophobicContact CD2-CD1 3.94Å; W74-Y90 HydrophobicContact CD2-CE1 4.46Å; W74-Y90 AromaticContact CE3-CD1 3.31Å; W74-Y90 HydrophobicContact CE3-CD1 3.31Å; W74-Y90 AromaticContact CE3-CE1 3.42Å; W74-Y90 HydrophobicContact CE3-CE1 3.42Å; W74-Y90 VanDerWaalsContact CE3-CE1 3.42Å; W74-Y90 HydrophobicContact CH2-CD1 4.44Å; W74-Y90 HydrophobicContact CH2-CE1 4.45Å; W74-Y90 AromaticContact CZ3-CD1 3.62Å; W74-Y90 HydrophobicContact CZ3-CD1 3.62Å; W74-Y90 AromaticContact CZ3-CE1 3.42Å; W74-Y90 HydrophobicContact CZ3-CE1 3.42Å; W74-Y90 VanDerWaalsContact CZ3-CE1 3.42Å; C87-Y90 HydrophobicContact CB-CD2 3.74Å; C87-Y90 HydrophobicContact CB-CE2 3.65Å; C87-Y90 WeakPolarHBondContact O-CD2 3.29Å; C87-Y90 PolarHBondContact O-N 2.94Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.81Å
91F85.5Confident78.5Confident1 Ų167.8 Ų67.80%0.00431%0.313CS..Hα-helixtrans-73-28.9179.9-66-87.8000113.5I24 V26 M86 P88 S89 H93 A94 M118 I119 H122 S123I24-F91 HydrophobicContact CD1-CD1 3.4Å; I24-F91 VanDerWaalsContact CD1-CD1 3.4Å; I24-F91 HydrophobicContact CD1-CE1 3.68Å; I24-F91 HydrophobicContact CD1-CG 4.26Å; V26-F91 HydrophobicContact CG1-CE1 4.05Å; V26-F91 HydrophobicContact CG1-CZ 4.26Å; M86-F91 HydrophobicContact CE-CE2 3.67Å; M86-F91 HydrophobicContact CE-CZ 3.62Å; P88-F91 PolarHBondContact O-N 2.84Å; S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 2.8Å; F91-H93 PolarHBondContact O-N 2.78Å; F91-A94 VanDerWaalsContact O-CB 3.31Å; F91-A94 WeakPolarHBondContact O-CB 3.47Å; F91-A94 PolarHBondContact O-N 2.92Å; F91-M118 HydrophobicContact CE1-CB 4.29Å; F91-M118 HydrophobicContact CE2-CE 4.13Å; F91-M118 HydrophobicContact CZ-CB 4.15Å; F91-M118 HydrophobicContact CZ-CE 4.03Å; F91-I119 HydrophobicContact CD1-CG1 4.25Å; F91-I119 HydrophobicContact CE1-CG1 3.97Å; F91-H122 HydrophobicContact CB-CB 3.3Å; F91-H122 HydrophobicContact CD1-CB 4.45Å; F91-H122 HydrophobicContact CD2-CB 4.27Å; F91-H122 HydrophobicContact CG-CB 3.8Å; F91-S123 WeakPolarHBondContact CB-OG 3.28Å; F91-S123 WeakPolarHBondContact O-CB 3.27Å; F91-S123 PolarHBondContact O-OG 3.09Å
92R86.1Confident80.6Confident153 Ų15357.9 Ų57.958%0.57728%0.277SS*.THydrogen-bonded Turntrans-58.5129.1-175.4-164.3-169.5-66.1-143.8-4.2110.8K22 P88 S89 A94K22-R92 WeakPolarHBondContact CE-O 3.41Å; K22-R92 PolarHBondContact NZ-O 3.27Å; P88-R92 PolarHBondContact O-N 2.88Å; S89-R92 PolarHBondContact O-N 2.98Å; R92-A94 PolarHBondContact O-N 3.28Å; R92-A94 VanDerWaalsContact O-N 3.13Å
93H88Confident83.1Confident149 Ų14952.8 Ų52.869%0.6926%0.255SS*.THydrogen-bonded Turntrans60.414.2-178.3-45.5-63.5000115.2F91F91-H93 PolarHBondContact O-N 2.78Å
94A94.2Very high85.3Confident9 Ų944.8 Ų44.87%0.07423%0.234CC..  trans-64.2138.9166.700000109.1K22 I24 F91 R92 L127K22-A94 HydrophobicContact CG-CB 4.47Å; I24-A94 HydrophobicContact CD1-CB 4.32Å; I24-A94 HydrophobicContact CG1-CB 4.38Å; I24-A94 HydrophobicContact CG2-CB 3.97Å; F91-A94 VanDerWaalsContact O-CB 3.31Å; F91-A94 WeakPolarHBondContact O-CB 3.47Å; F91-A94 PolarHBondContact O-N 2.92Å; R92-A94 PolarHBondContact O-N 3.28Å; R92-A94 VanDerWaalsContact O-N 3.13Å; A94-L127 HydrophobicContact CB-CD1 3.54Å; A94-L127 WeakPolarHBondContact O-CD1 3.11Å
95E95.9Very high87.4Confident53 Ų5340.1 Ų40.125%0.24821%0.212CC..  trans-102.5-26.8176.5-67.6170.6-92.300111.1I21 K22 V128 I181 N185I21-E95 WeakPolarHBondContact CA-OE1 3.49Å; I21-E95 HydrophobicContact CG2-CB 4.42Å; K22-E95 PolarHBondContact N-OE1 3.25Å; K22-E95 VanDerWaalsContact N-OE1 3.17Å; K22-E95 PolarHBondContact O-N 3.18Å; E95-V128 PolarHBondContact O-N 2.66Å; E95-I181 HydrophobicContact CB-CD1 4.28Å; E95-I181 HydrophobicContact CB-CG2 3.94Å; E95-N185 PolarHBondContact OE2-ND2 3.02Å; E95-N185 VanDerWaalsContact OE2-ND2 3.11Å
96G97.5Very high89.5Confident0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-137.2153.8-17700000114.7K22 I23 I24 V128K22-G96 PolarHBondContact O-N 3.05Å; I23-G96 VanDerWaalsContact CA-O 3.28Å; I23-G96 WeakPolarHBondContact CA-O 3.37Å; I24-G96 PolarHBondContact N-O 3.13Å; G96-V128 CarbonylContact C-O 3.58Å; G96-V128 VanDerWaalsContact CA-O 3.23Å; G96-V128 WeakPolarHBondContact CA-O 3.1Å
97A96.3Very high91.2Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-141.7132172.600000111.1I24 V99 I119 L127 V128 K129 V130I24-A97 HydrophobicContact CD1-CB 4.24Å; I24-A97 HydrophobicContact CG1-CB 3.7Å; I24-A97 VanDerWaalsContact O-CA 3.28Å; I24-A97 WeakPolarHBondContact O-CA 3.32Å; A97-V99 HydrophobicContact CB-CG2 4.33Å; A97-I119 HydrophobicContact CB-CD1 3.62Å; A97-I119 HydrophobicContact CB-CG1 4.43Å; A97-L127 HydrophobicContact CB-CD2 3.5Å; A97-V128 PolarHBondContact N-O 2.87Å; A97-K129 WeakPolarHBondContact O-CA 3.19Å; A97-V130 PolarHBondContact O-N 3.28Å
98L97.9Very high92.6Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-89.5116.5159.5-61.3-174.7000107.5I24 L25 V26 L36 V100 V130 I132 A173 F174 L177I24-L98 PolarHBondContact O-N 2.91Å; L25-L98 HydrophobicContact CD2-CB 3.73Å; L25-L98 HydrophobicContact CD2-CD1 3.69Å; L25-L98 HydrophobicContact CD2-CG 3.93Å; V26-L98 PolarHBondContact N-O 3.3Å; L36-L98 HydrophobicContact CD2-CD1 4.15Å; L98-V100 HydrophobicContact CB-CG2 4.26Å; L98-V130 HydrophobicContact CD2-CB 3.85Å; L98-V130 HydrophobicContact CD2-CG2 4.34Å; L98-I132 HydrophobicContact CB-CG1 4.15Å; L98-I132 HydrophobicContact CD2-CD1 4.18Å; L98-I132 HydrophobicContact CD2-CG1 4.03Å; L98-A173 HydrophobicContact CD1-CB 4.49Å; L98-F174 HydrophobicContact CD1-CD1 4.05Å; L98-F174 HydrophobicContact CD1-CD2 4.19Å; L98-F174 HydrophobicContact CD1-CE1 3.77Å; L98-F174 HydrophobicContact CD1-CE2 3.91Å; L98-F174 HydrophobicContact CD1-CG 4.25Å; L98-F174 HydrophobicContact CD1-CZ 3.69Å; L98-L177 HydrophobicContact CD2-CB 4Å; L98-L177 HydrophobicContact CD2-CD2 3.73Å; L98-L177 HydrophobicContact CD2-CG 4.38Å; L98-L177 HydrophobicContact CG-CD2 3.87Å
99V96.6Very high94Very high0 Ų035.4 Ų35.40%018%0.177CC..EExtended strand (participates in β ladder)trans-102.5101.2-179.8-1660000107.8V26 A97 L112 W115 I119 V130 I131 I132V26-V99 HydrophobicContact CG2-CB 4.24Å; V26-V99 HydrophobicContact CG2-CG1 4.06Å; V26-V99 HydrophobicContact CG2-CG2 4Å; A97-V99 HydrophobicContact CB-CG2 4.33Å; V99-L112 HydrophobicContact CB-CD2 4.44Å; V99-L112 HydrophobicContact CG1-CD2 3.54Å; V99-W115 HydrophobicContact CG1-CB 3.92Å; V99-I119 HydrophobicContact CG2-CD1 3.79Å; V99-V130 PolarHBondContact N-O 2.92Å; V99-I131 HydrophobicContact CB-CD1 3.72Å; V99-I131 HydrophobicContact CG1-CD1 4.13Å; V99-I131 HydrophobicContact CG2-CD1 4.2Å; V99-I131 WeakPolarHBondContact O-CA 3.46Å; V99-I132 PolarHBondContact O-N 2.97Å
100V97.5Very high94.9Very high0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-101132.3-163.8-167.10000110.8V26 G27 V31 K33 L36 L98 I132 N134V26-V100 PolarHBondContact O-N 3.36Å; G27-V100 WeakPolarHBondContact CA-O 3.18Å; V31-V100 HydrophobicContact CB-CG1 4.24Å; V31-V100 HydrophobicContact CG2-CB 3.85Å; V31-V100 HydrophobicContact CG2-CG1 3.76Å; K33-V100 HydrophobicContact CG-CB 4.12Å; K33-V100 HydrophobicContact CG-CG2 4.15Å; L36-V100 HydrophobicContact CD2-CG2 4.34Å; L98-V100 HydrophobicContact CB-CG2 4.26Å; V100-I132 WeakPolarHBondContact CA-O 3.19Å; V100-I132 HydrophobicContact CB-CB 4.5Å; V100-I132 HydrophobicContact CG1-CB 4.35Å; V100-I132 HydrophobicContact CG1-CG2 4.28Å; V100-I132 HydrophobicContact CG2-CB 4.22Å; V100-N134 HydrophobicContact CG1-CB 3.82Å
101Y97.7Very high95.4Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-126.8168.1165.376.5-80.4000110.2V103 S108 F109 L112 I131 I132 G133 N134 V143 A148 Y159Y101-V103 HydrophobicContact CE2-CG1 4.13Å; Y101-S108 WeakPolarHBondContact CB-O 3.37Å; Y101-F109 HydrophobicContact CD1-CD2 4.09Å; Y101-F109 HydrophobicContact CD2-CB 3.73Å; Y101-F109 AromaticContact CD2-CD2 3.95Å; Y101-F109 HydrophobicContact CD2-CD2 3.95Å; Y101-F109 HydrophobicContact CD2-CG 4.32Å; Y101-F109 AromaticContact CE1-CD2 3.9Å; Y101-F109 HydrophobicContact CE1-CD2 3.9Å; Y101-F109 HydrophobicContact CE1-CE2 4.39Å; Y101-F109 HydrophobicContact CE2-CB 4.15Å; Y101-F109 AromaticContact CE2-CD2 3.78Å; Y101-F109 HydrophobicContact CE2-CD2 3.78Å; Y101-F109 HydrophobicContact CE2-CG 4.36Å; Y101-F109 HydrophobicContact CG-CB 4.18Å; Y101-F109 HydrophobicContact CG-CD2 4.11Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; Y101-L112 HydrophobicContact CD1-CD1 3.84Å; Y101-L112 HydrophobicContact CD1-CD2 4.3Å; Y101-L112 HydrophobicContact CD1-CG 4.5Å; Y101-L112 HydrophobicContact CE1-CD1 4.4Å; Y101-L112 HydrophobicContact CG-CD1 4.31Å; Y101-I131 HydrophobicContact CD1-CG2 4.1Å; Y101-I131 HydrophobicContact CE1-CG2 3.9Å; Y101-I132 VanDerWaalsContact CD1-O 3.29Å; Y101-I132 WeakPolarHBondContact CD1-O 3.29Å; Y101-I132 PolarHBondContact N-O 3.19Å; Y101-G133 VanDerWaalsContact CZ-CA 3.44Å; Y101-N134 PolarHBondContact O-N 3.33Å; Y101-V143 HydrophobicContact CD2-CG2 4.33Å; Y101-V143 HydrophobicContact CE2-CB 3.96Å; Y101-V143 HydrophobicContact CE2-CG1 3.92Å; Y101-V143 HydrophobicContact CE2-CG2 3.97Å; Y101-A148 VanDerWaalsContact OH-CB 3.23Å; Y101-A148 WeakPolarHBondContact OH-CB 3.49Å; Y101-Y159 HydrophobicContact CE1-CE2 4.04Å; Y101-Y159 PolarHBondContact OH-OH 2.83Å
102D97.8Very high95.9Very high15 Ų1539.3 Ų39.38%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-100.3123.5175.4175.9-10.1000109V31 G104 C105 S108 K135V31-D102 HydrophobicContact CB-CB 4.35Å; V31-D102 HydrophobicContact CG1-CB 4.27Å; D102-G104 PolarHBondContact O-N 2.83Å; D102-G104 VanDerWaalsContact O-N 3.15Å; D102-G104 PolarHBondContact OD1-N 3.28Å; D102-C105 HydrophobicContact CB-CB 3.95Å; D102-C105 PolarHBondContact O-N 3.1Å; D102-S108 PolarHBondContact N-OG 2.8Å; D102-S108 PolarHBondContact O-OG 2.87Å; D102-K135 HydrophobicContact CB-CD 4.5Å; D102-K135 WeakPolarHBondContact OD2-CD 3.39Å; D102-K135 VanDerWaalsContact OD2-CE 3.28Å; D102-K135 WeakPolarHBondContact OD2-CE 3.14Å; D102-K135 IonicContact OD2-NZ 3.85Å; D102-K135 PolarHBondContact OD2-NZ 3.4Å
103V98.6Very high96.2Very high1 Ų135.5 Ų35.51%0.00618%0.181CC..THydrogen-bonded Turntrans-61.9-23.1-178.3-57.10000113.3Y101 C105 N134 K135 A142 V143 E161Y101-V103 HydrophobicContact CE2-CG1 4.13Å; V103-C105 VanDerWaalsContact C-N 3.35Å; V103-N134 WeakPolarHBondContact CG1-O 3.47Å; V103-N134 PolarHBondContact N-O 2.97Å; V103-K135 WeakPolarHBondContact CG2-O 3.25Å; V103-A142 PolarHBondContact O-N 3.11Å; V103-V143 PolarHBondContact O-N 2.86Å; V103-V143 VanDerWaalsContact O-N 3.07Å; V103-E161 VanDerWaalsContact CG1-OE1 3.26Å; V103-E161 WeakPolarHBondContact CG1-OE1 3.49Å
104G97.9Very high96.4Very high30 Ų3032.2 Ų32.231%0.30917%0.172SC..THydrogen-bonded Turntrans-84.9-1.7174.300000114.1D102 A140 A142D102-G104 PolarHBondContact O-N 2.83Å; D102-G104 VanDerWaalsContact O-N 3.15Å; D102-G104 PolarHBondContact OD1-N 3.28Å; G104-A140 VanDerWaalsContact CA-O 3.32Å; G104-A140 WeakPolarHBondContact CA-O 3.43Å; G104-A142 WeakPolarHBondContact O-CB 3.23Å
105C97.1Very high96.3Very high50 Ų5033.3 Ų33.334%0.33817%0.174SC..  trans-128.495.9-175.9-177.50000112.1D102 V103 K107 S108 F109D102-C105 HydrophobicContact CB-CB 3.95Å; D102-C105 PolarHBondContact O-N 3.1Å; V103-C105 VanDerWaalsContact C-N 3.35Å; C105-K107 VanDerWaalsContact C-N 3.26Å; C105-K107 PolarHBondContact O-N 3.39Å; C105-S108 PolarHBondContact O-N 3.1Å; C105-S108 PolarHBondContact O-OG 2.91Å; C105-F109 PolarHBondContact O-N 3.25Å
106Q97.4Very high96.2Very high46 Ų4632 Ų3222%0.21517%0.168CC..Hα-helixtrans-53.6-40179.1179.357.636.800112.8S108 F109 E110 A142Q106-S108 VanDerWaalsContact C-N 3.32Å; Q106-S108 PolarHBondContact O-N 2.86Å; Q106-F109 WeakPolarHBondContact O-CB 3.28Å; Q106-F109 PolarHBondContact O-N 3.5Å; Q106-F109 VanDerWaalsContact O-N 3.15Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.46Å; Q106-E110 PolarHBondContact NE2-OE1 2.96Å; Q106-E110 PolarHBondContact O-N 2.85Å; Q106-A142 HydrophobicContact CB-CB 4.15Å; Q106-A142 PolarHBondContact OE1-O 2.92Å
107K96.3Very high95.9Very high125 Ų12539.4 Ų39.454%0.54320%0.2SC..Hα-helixtrans-58.9-40.3176.3-179.7175.3179.6174.50112.8C105 F109 E110 E111C105-K107 VanDerWaalsContact C-N 3.26Å; C105-K107 PolarHBondContact O-N 3.39Å; K107-F109 PolarHBondContact O-N 3.48Å; K107-E110 PolarHBondContact O-N 3.29Å; K107-E111 WeakPolarHBondContact CE-OE1 3.2Å; K107-E111 IonicContact NZ-OE1 2.97Å; K107-E111 PolarHBondContact O-N 3.38Å
108S95.8Very high95.5Very high2 Ų241.4 Ų41.41%0.01421%0.21CC..Hα-helixtrans-66.8-28.3-179.973.10000113Y101 D102 C105 Q106Y101-S108 WeakPolarHBondContact CB-O 3.37Å; D102-S108 PolarHBondContact N-OG 2.8Å; D102-S108 PolarHBondContact O-OG 2.87Å; C105-S108 PolarHBondContact O-N 3.1Å; C105-S108 PolarHBondContact O-OG 2.91Å; Q106-S108 VanDerWaalsContact C-N 3.32Å; Q106-S108 PolarHBondContact O-N 2.86Å
109F98.3Very high95.1Very high13 Ų1341.5 Ų41.56%0.05721%0.21CC..Hα-helixtrans-75.5-43.6173.3178.7-99.2000111.9Y101 C105 Q106 K107 E111 L112 V143 K147 A148 Y151Y101-F109 HydrophobicContact CD1-CD2 4.09Å; Y101-F109 HydrophobicContact CD2-CB 3.73Å; Y101-F109 AromaticContact CD2-CD2 3.95Å; Y101-F109 HydrophobicContact CD2-CD2 3.95Å; Y101-F109 HydrophobicContact CD2-CG 4.32Å; Y101-F109 AromaticContact CE1-CD2 3.9Å; Y101-F109 HydrophobicContact CE1-CD2 3.9Å; Y101-F109 HydrophobicContact CE1-CE2 4.39Å; Y101-F109 HydrophobicContact CE2-CB 4.15Å; Y101-F109 AromaticContact CE2-CD2 3.78Å; Y101-F109 HydrophobicContact CE2-CD2 3.78Å; Y101-F109 HydrophobicContact CE2-CG 4.36Å; Y101-F109 HydrophobicContact CG-CB 4.18Å; Y101-F109 HydrophobicContact CG-CD2 4.11Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; C105-F109 PolarHBondContact O-N 3.25Å; Q106-F109 WeakPolarHBondContact O-CB 3.28Å; Q106-F109 PolarHBondContact O-N 3.5Å; Q106-F109 VanDerWaalsContact O-N 3.15Å; K107-F109 PolarHBondContact O-N 3.48Å; F109-E111 PolarHBondContact O-N 3.26Å; F109-L112 HydrophobicContact CD2-CD1 3.53Å; F109-L112 HydrophobicContact CE2-CD1 3.84Å; F109-L112 HydrophobicContact CG-CD1 4.28Å; F109-L112 VanDerWaalsContact O-CB 3.27Å; F109-L112 WeakPolarHBondContact O-CB 3.35Å; F109-L112 WeakPolarHBondContact O-CD1 3.4Å; F109-L112 WeakPolarHBondContact O-CG 3.42Å; F109-L112 PolarHBondContact O-N 3.32Å; F109-L112 VanDerWaalsContact O-N 3.12Å; F109-V143 HydrophobicContact CB-CG1 4.21Å; F109-V143 HydrophobicContact CB-CG2 3.63Å; F109-V143 HydrophobicContact CD1-CG1 4.02Å; F109-V143 HydrophobicContact CD2-CG1 3.74Å; F109-V143 HydrophobicContact CE1-CG1 4.33Å; F109-V143 HydrophobicContact CE2-CG1 4.07Å; F109-V143 HydrophobicContact CG-CG1 3.71Å; F109-V143 HydrophobicContact CG-CG2 4.06Å; F109-V143 HydrophobicContact CZ-CG1 4.34Å; F109-K147 HydrophobicContact CE1-CD 4.33Å; F109-K147 HydrophobicContact CE1-CG 4.21Å; F109-K147 HydrophobicContact CZ-CG 4.37Å; F109-A148 HydrophobicContact CD2-CB 4.44Å; F109-A148 HydrophobicContact CE2-CB 3.66Å; F109-A148 HydrophobicContact CZ-CB 4.23Å; F109-Y151 HydrophobicContact CE2-CD1 4.01Å; F109-Y151 HydrophobicContact CE2-CG 4.39Å; F109-Y151 AromaticContact CZ-CD1 3.98Å; F109-Y151 HydrophobicContact CZ-CD1 3.98Å; F109-Y151 AromaticContact CZ-CG 3.91Å; F109-Y151 HydrophobicContact CZ-CG 3.91Å
110E97Very high94.9Very high113 Ų11343.6 Ų43.653%0.52823%0.228SC..Hα-helixtrans-62.1-33.7178.2-72.1166.2179.700112.6Q106 K107 L112Q106-E110 WeakPolarHBondContact CG-OE1 3.46Å; Q106-E110 PolarHBondContact NE2-OE1 2.96Å; Q106-E110 PolarHBondContact O-N 2.85Å; K107-E110 PolarHBondContact O-N 3.29Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.01Å
111E93.8Very high94.6Very high66 Ų6650.6 Ų50.631%0.30826%0.261SS..THydrogen-bonded Turntrans-80.1-1.4178.5-70-177.5177.500113.7N28 K107 F109 N113 V114 W115N28-E111 VanDerWaalsContact CG-OE2 3.26Å; N28-E111 PolarHBondContact ND2-OE2 3.33Å; N28-E111 PolarHBondContact OD1-OE2 3.05Å; K107-E111 WeakPolarHBondContact CE-OE1 3.2Å; K107-E111 IonicContact NZ-OE1 2.97Å; K107-E111 PolarHBondContact O-N 3.38Å; F109-E111 PolarHBondContact O-N 3.26Å; E111-N113 PolarHBondContact O-N 3.19Å; E111-V114 WeakPolarHBondContact O-CB 2.9Å; E111-V114 PolarHBondContact O-N 3.41Å; E111-W115 PolarHBondContact O-N 3.03Å
112L95.2Very high94.2Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-54.5-37.4174.3-72.7175.1000112.4V99 Y101 F109 E110 V114 W115 I116 I131 Y151V99-L112 HydrophobicContact CB-CD2 4.44Å; V99-L112 HydrophobicContact CG1-CD2 3.54Å; Y101-L112 HydrophobicContact CD1-CD1 3.84Å; Y101-L112 HydrophobicContact CD1-CD2 4.3Å; Y101-L112 HydrophobicContact CD1-CG 4.5Å; Y101-L112 HydrophobicContact CE1-CD1 4.4Å; Y101-L112 HydrophobicContact CG-CD1 4.31Å; F109-L112 HydrophobicContact CD2-CD1 3.53Å; F109-L112 HydrophobicContact CE2-CD1 3.84Å; F109-L112 HydrophobicContact CG-CD1 4.28Å; F109-L112 VanDerWaalsContact O-CB 3.27Å; F109-L112 WeakPolarHBondContact O-CB 3.35Å; F109-L112 WeakPolarHBondContact O-CD1 3.4Å; F109-L112 WeakPolarHBondContact O-CG 3.42Å; F109-L112 PolarHBondContact O-N 3.32Å; F109-L112 VanDerWaalsContact O-N 3.12Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.01Å; L112-V114 PolarHBondContact O-N 3.26Å; L112-W115 WeakPolarHBondContact O-CB 3.16Å; L112-W115 PolarHBondContact O-N 3.29Å; L112-W115 VanDerWaalsContact O-N 3.13Å; L112-I116 HydrophobicContact CB-CD1 4.45Å; L112-I116 WeakPolarHBondContact O-CD1 3.36Å; L112-I116 WeakPolarHBondContact O-CG1 3.16Å; L112-I116 PolarHBondContact O-N 2.82Å; L112-I131 HydrophobicContact CD1-CG2 3.97Å; L112-Y151 HydrophobicContact CB-CE1 3.97Å; L112-Y151 HydrophobicContact CD1-CD1 4.15Å; L112-Y151 HydrophobicContact CD1-CE1 3.7Å
113N94.4Very high93.8Very high74 Ų7454.1 Ų54.140%0.39628%0.28SS..Hα-helixtrans-61.5-30.4177.7-77.2-40.6000113E111 K117 Y151E111-N113 PolarHBondContact O-N 3.19Å; N113-K117 WeakPolarHBondContact O-CB 3.29Å; N113-K117 VanDerWaalsContact O-CG 3.22Å; N113-K117 WeakPolarHBondContact O-CG 3.48Å; N113-K117 PolarHBondContact O-N 3.27Å; N113-Y151 VanDerWaalsContact CG-OH 3.29Å; N113-Y151 PolarHBondContact OD1-OH 3.39Å
114V91.6Very high93.2Very high80 Ų8055.6 Ų55.649%0.48530%0.295SS..Hα-helixtrans-66.3-48.1175.2179.70000109.4E111 L112 I116 K117 M118E111-V114 WeakPolarHBondContact O-CB 2.9Å; E111-V114 PolarHBondContact O-N 3.41Å; L112-V114 PolarHBondContact O-N 3.26Å; V114-I116 PolarHBondContact O-N 2.83Å; V114-K117 PolarHBondContact O-N 3.27Å; V114-M118 HydrophobicContact CG1-SD 4.49Å; V114-M118 WeakPolarHBondContact O-CG 3.14Å; V114-M118 PolarHBondContact O-N 2.97Å
115W91.9Very high92.6Very high32 Ų3258.6 Ų58.612%0.12131%0.311CS..Hα-helixtrans-62.6-42.2178.9-63.5107.2000112.7V26 G27 N28 M86 V99 E111 L112 M118 I119V26-W115 HydrophobicContact CB-CD2 4.32Å; V26-W115 HydrophobicContact CB-CE3 3.7Å; V26-W115 HydrophobicContact CB-CZ3 4.19Å; V26-W115 HydrophobicContact CG1-CE3 4.37Å; V26-W115 HydrophobicContact CG2-CB 4.22Å; V26-W115 HydrophobicContact CG2-CE3 4.42Å; G27-W115 VanDerWaalsContact CA-CE2 3.43Å; G27-W115 WeakPolarHBondContact O-CZ2 3.23Å; N28-W115 PolarHBondContact OD1-NE1 2.79Å; M86-W115 HydrophobicContact CE-CZ3 4.11Å; M86-W115 HydrophobicContact SD-CH2 3.74Å; M86-W115 HydrophobicContact SD-CZ3 3.39Å; M86-W115 WeakPolarHBondContact SD-CZ3 3.41Å; V99-W115 HydrophobicContact CG1-CB 3.92Å; E111-W115 PolarHBondContact O-N 3.03Å; L112-W115 WeakPolarHBondContact O-CB 3.16Å; L112-W115 PolarHBondContact O-N 3.29Å; L112-W115 VanDerWaalsContact O-N 3.13Å; W115-M118 HydrophobicContact CE3-SD 4.28Å; W115-M118 HydrophobicContact CZ3-SD 4.37Å; W115-M118 PolarHBondContact O-N 3.41Å; W115-I119 WeakPolarHBondContact O-CG1 3.05Å; W115-I119 PolarHBondContact O-N 3.25Å
116I92.7Very high92.1Very high25 Ų2565.3 Ų65.313%0.12833%0.33CS..Hα-helixtrans-65.2-40177.2-69.2155.6000111.5L112 V114 I119 A120 I131 Y151 I155L112-I116 HydrophobicContact CB-CD1 4.45Å; L112-I116 WeakPolarHBondContact O-CD1 3.36Å; L112-I116 WeakPolarHBondContact O-CG1 3.16Å; L112-I116 PolarHBondContact O-N 2.82Å; V114-I116 PolarHBondContact O-N 2.83Å; I116-I119 WeakPolarHBondContact O-CB 3.25Å; I116-I119 PolarHBondContact O-N 2.57Å; I116-A120 WeakPolarHBondContact O-CB 3.5Å; I116-A120 PolarHBondContact O-N 3.49Å; I116-I131 HydrophobicContact CD1-CD1 4.26Å; I116-Y151 HydrophobicContact CD1-CE1 4.31Å; I116-Y151 WeakPolarHBondContact CD1-OH 3.45Å; I116-I155 HydrophobicContact CD1-CD1 3.37Å; I116-I155 HydrophobicContact CG1-CD1 4.45Å
117K91.4Very high91.9Very high155 Ų15563.5 Ų63.567%0.67432%0.321SS*.Hα-helixtrans-62.6-43.6174.1-76.1173.7-178-178.30111.5N113 V114 I119 A120 Q121N113-K117 WeakPolarHBondContact O-CB 3.29Å; N113-K117 VanDerWaalsContact O-CG 3.22Å; N113-K117 WeakPolarHBondContact O-CG 3.48Å; N113-K117 PolarHBondContact O-N 3.27Å; V114-K117 PolarHBondContact O-N 3.27Å; K117-I119 VanDerWaalsContact C-N 3.35Å; K117-I119 PolarHBondContact O-N 3.2Å; K117-A120 PolarHBondContact O-N 3.29Å; K117-Q121 WeakPolarHBondContact O-CB 3.39Å; K117-Q121 PolarHBondContact O-N 3.4Å
118M87.9Confident92Very high43 Ų4358.4 Ų58.421%0.21230%0.3CS..Hα-helixtrans-62.2-41176.4-71-179.77200112.4M86 F91 V114 W115 Q121 H122M86-M118 HydrophobicContact CB-CE 4.25Å; M86-M118 HydrophobicContact SD-CE 4.35Å; F91-M118 HydrophobicContact CE1-CB 4.29Å; F91-M118 HydrophobicContact CE2-CE 4.13Å; F91-M118 HydrophobicContact CZ-CB 4.15Å; F91-M118 HydrophobicContact CZ-CE 4.03Å; V114-M118 HydrophobicContact CG1-SD 4.49Å; V114-M118 WeakPolarHBondContact O-CG 3.14Å; V114-M118 PolarHBondContact O-N 2.97Å; W115-M118 HydrophobicContact CE3-SD 4.28Å; W115-M118 HydrophobicContact CZ3-SD 4.37Å; W115-M118 PolarHBondContact O-N 3.41Å; M118-Q121 PolarHBondContact O-N 2.99Å; M118-H122 PolarHBondContact O-N 3.36Å; M118-H122 PolarHBondContact O-ND1 2.58Å
119I91.2Very high92.1Very high1 Ų159.8 Ų59.81%0.00531%0.306CS..Hα-helixtrans-58.4-51.4172.5-73.9167000110.2I24 V26 F91 A97 V99 W115 I116 K117 Q121 H122 S123 G124 L127 K129I24-I119 HydrophobicContact CD1-CG1 4.31Å; V26-I119 HydrophobicContact CG2-CD1 3.85Å; F91-I119 HydrophobicContact CD1-CG1 4.25Å; F91-I119 HydrophobicContact CE1-CG1 3.97Å; A97-I119 HydrophobicContact CB-CD1 3.62Å; A97-I119 HydrophobicContact CB-CG1 4.43Å; V99-I119 HydrophobicContact CG2-CD1 3.79Å; W115-I119 WeakPolarHBondContact O-CG1 3.05Å; W115-I119 PolarHBondContact O-N 3.25Å; I116-I119 WeakPolarHBondContact O-CB 3.25Å; I116-I119 PolarHBondContact O-N 2.57Å; K117-I119 VanDerWaalsContact C-N 3.35Å; K117-I119 PolarHBondContact O-N 3.2Å; I119-Q121 VanDerWaalsContact C-N 3.26Å; I119-Q121 PolarHBondContact O-N 2.89Å; I119-H122 PolarHBondContact O-N 3.46Å; I119-S123 WeakPolarHBondContact O-CA 3.28Å; I119-S123 WeakPolarHBondContact O-CB 3.46Å; I119-S123 PolarHBondContact O-N 3.41Å; I119-G124 PolarHBondContact O-N 3.32Å; I119-L127 HydrophobicContact CG2-CB 4Å; I119-L127 HydrophobicContact CG2-CD1 4.16Å; I119-L127 HydrophobicContact CG2-CD2 3.67Å; I119-L127 HydrophobicContact CG2-CG 4.16Å; I119-K129 HydrophobicContact CD1-CD 4.4Å; I119-K129 HydrophobicContact CD1-CG 4.44Å; I119-K129 HydrophobicContact CG2-CD 4.35Å
120A92Very high92.1Very high44 Ų4459.1 Ų59.136%0.36430%0.304SS..Hα-helixtrans-60.9-38.3-177.200000111.8I116 K117 G124I116-A120 WeakPolarHBondContact O-CB 3.5Å; I116-A120 PolarHBondContact O-N 3.49Å; K117-A120 PolarHBondContact O-N 3.29Å; A120-G124 VanDerWaalsContact O-CA 3.28Å; A120-G124 WeakPolarHBondContact O-CA 3.41Å; A120-G124 PolarHBondContact O-N 3.45Å
121Q90.6Very high92.2Very high147 Ų14753.8 Ų53.869%0.68728%0.278SS*.Hα-helixtrans-66-37.5179.2-176.2178.31.600113.3K117 M118 I119K117-Q121 WeakPolarHBondContact O-CB 3.39Å; K117-Q121 PolarHBondContact O-N 3.4Å; M118-Q121 PolarHBondContact O-N 2.99Å; I119-Q121 VanDerWaalsContact C-N 3.26Å; I119-Q121 PolarHBondContact O-N 2.89Å
122H88.7Confident92.4Very high60 Ų6050.6 Ų50.628%0.27826%0.264SS..Hα-helixtrans-112.5-24.5-168.5-58.4102.9000115.1F91 M118 I119F91-H122 HydrophobicContact CB-CB 3.3Å; F91-H122 HydrophobicContact CD1-CB 4.45Å; F91-H122 HydrophobicContact CD2-CB 4.27Å; F91-H122 HydrophobicContact CG-CB 3.8Å; M118-H122 PolarHBondContact O-N 3.36Å; M118-H122 PolarHBondContact O-ND1 2.58Å; I119-H122 PolarHBondContact O-N 3.46Å
123S90.2Very high92.6Very high30 Ų3050.6 Ų50.621%0.2126%0.264CS..Hα-helixtrans-113-9.6177.9-47.70000113F91 I119F91-S123 WeakPolarHBondContact CB-OG 3.28Å; F91-S123 WeakPolarHBondContact O-CB 3.27Å; F91-S123 PolarHBondContact O-OG 3.09Å; I119-S123 WeakPolarHBondContact O-CA 3.28Å; I119-S123 WeakPolarHBondContact O-CB 3.46Å; I119-S123 PolarHBondContact O-N 3.41Å
124G86.5Confident92.8Very high32 Ų3247.2 Ų47.233%0.3325%0.245SC..  trans85.7154.2-173.600000113.2I119 A120 R126 L127I119-G124 PolarHBondContact O-N 3.32Å; A120-G124 VanDerWaalsContact O-CA 3.28Å; A120-G124 WeakPolarHBondContact O-CA 3.41Å; A120-G124 PolarHBondContact O-N 3.45Å; G124-R126 PolarHBondContact O-N 3.42Å; G124-L127 PolarHBondContact O-N 3.26Å
125S83.9Confident93.1Very high92 Ų9245.3 Ų45.364%0.64323%0.231SC*.THydrogen-bonded Turntrans-61.5-27-176.355.40000114L127 K129S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 3.23Å; S125-K129 PolarHBondContact O-NZ 3.19Å; S125-K129 VanDerWaalsContact O-NZ 3.1Å
126R87.2Confident93.4Very high192 Ų19245.1 Ų45.173%0.72523%0.232SC*.THydrogen-bonded Turntrans-76.9-6.3-177.7-62.9-169.8-67.7-158.1-0.8114.1G124 V128 K184G124-R126 PolarHBondContact O-N 3.42Å; R126-V128 PolarHBondContact O-N 3.01Å; R126-K184 VanDerWaalsContact O-CE 3.29Å; R126-K184 WeakPolarHBondContact O-CE 3.29Å; R126-K184 PolarHBondContact O-NZ 2.99Å
127L94.1Very high93.6Very high7 Ų746.4 Ų46.44%0.03724%0.239CC..SBendtrans-55.3135175.5-179.7148000110.3A94 A97 I119 G124 S125 K129A94-L127 HydrophobicContact CB-CD1 3.54Å; A94-L127 WeakPolarHBondContact O-CD1 3.11Å; A97-L127 HydrophobicContact CB-CD2 3.5Å; I119-L127 HydrophobicContact CG2-CB 4Å; I119-L127 HydrophobicContact CG2-CD1 4.16Å; I119-L127 HydrophobicContact CG2-CD2 3.67Å; I119-L127 HydrophobicContact CG2-CG 4.16Å; G124-L127 PolarHBondContact O-N 3.26Å; S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 3.23Å; L127-K129 HydrophobicContact CD2-CG 3.73Å; L127-K129 PolarHBondContact O-NZ 3.19Å
128V97.5Very high93.7Very high18 Ų1842.3 Ų42.311%0.10922%0.224CC..EExtended strand (participates in β ladder)trans-75130.9-179.3-178.90000109.4E95 G96 A97 R126 L177 L180 I181 K184E95-V128 PolarHBondContact O-N 2.66Å; G96-V128 CarbonylContact C-O 3.58Å; G96-V128 VanDerWaalsContact CA-O 3.23Å; G96-V128 WeakPolarHBondContact CA-O 3.1Å; A97-V128 PolarHBondContact N-O 2.87Å; R126-V128 PolarHBondContact O-N 3.01Å; V128-L177 HydrophobicContact CB-CD1 4.23Å; V128-L177 HydrophobicContact CG1-CD1 3.87Å; V128-L180 HydrophobicContact CG1-CB 3.59Å; V128-L180 HydrophobicContact CG1-CD1 4.24Å; V128-I181 HydrophobicContact CB-CG1 3.68Å; V128-I181 HydrophobicContact CG1-CG1 4.14Å; V128-I181 HydrophobicContact CG2-CB 4.5Å; V128-I181 HydrophobicContact CG2-CG1 3.73Å; V128-K184 HydrophobicContact CG2-CB 4.43Å; V128-K184 HydrophobicContact CG2-CD 3.48Å; V128-K184 VanDerWaalsContact CG2-CD 3.48Å
129K97.5Very high93.7Very high31 Ų3146.5 Ų46.514%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-125.9137.8-174.4-65.8169-72.7-74.20109.9A97 I119 S125 L127 C157 A158A97-K129 WeakPolarHBondContact O-CA 3.19Å; I119-K129 HydrophobicContact CD1-CD 4.4Å; I119-K129 HydrophobicContact CD1-CG 4.44Å; I119-K129 HydrophobicContact CG2-CD 4.35Å; S125-K129 PolarHBondContact O-NZ 3.19Å; S125-K129 VanDerWaalsContact O-NZ 3.1Å; L127-K129 HydrophobicContact CD2-CG 3.73Å; L127-K129 PolarHBondContact O-NZ 3.19Å; K129-C157 HydrophobicContact CB-CB 4.35Å; K129-C157 VanDerWaalsContact CB-SG 3.59Å; K129-C157 VanDerWaalsContact CE-SG 3.54Å; K129-A158 PolarHBondContact O-N 2.9Å
130V98.6Very high93.7Very high0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans-121.2122.5164.8-1720000107.5A97 L98 V99 I132 A158 L160 T176 L177 L180A97-V130 PolarHBondContact O-N 3.28Å; L98-V130 HydrophobicContact CD2-CB 3.85Å; L98-V130 HydrophobicContact CD2-CG2 4.34Å; V99-V130 PolarHBondContact N-O 2.92Å; V130-I132 HydrophobicContact CB-CD1 4.33Å; V130-I132 HydrophobicContact CG1-CD1 3.61Å; V130-I132 HydrophobicContact CG1-CG1 4.49Å; V130-A158 CarbonylContact C-O 3.38Å; V130-A158 WeakPolarHBondContact CA-O 3.48Å; V130-A158 HydrophobicContact CG1-CB 4.13Å; V130-A158 HydrophobicContact CG2-CB 4.19Å; V130-L160 HydrophobicContact CG1-CD1 4.22Å; V130-T176 HydrophobicContact CG2-CG2 4.47Å; V130-L177 HydrophobicContact CG2-CB 3.88Å; V130-L177 HydrophobicContact CG2-CD1 3.95Å; V130-L180 HydrophobicContact CG2-CD1 4.28Å
131I98.7Very high93.9Very high0 Ų052.2 Ų52.20%028%0.283CS..EExtended strand (participates in β ladder)trans-77.9128.2171.6-59.1-56.9000108V99 Y101 L112 I116 A152 I155 C157 A158 Y159 L160V99-I131 HydrophobicContact CB-CD1 3.72Å; V99-I131 HydrophobicContact CG1-CD1 4.13Å; V99-I131 HydrophobicContact CG2-CD1 4.2Å; V99-I131 WeakPolarHBondContact O-CA 3.46Å; Y101-I131 HydrophobicContact CD1-CG2 4.1Å; Y101-I131 HydrophobicContact CE1-CG2 3.9Å; L112-I131 HydrophobicContact CD1-CG2 3.97Å; I116-I131 HydrophobicContact CD1-CD1 4.26Å; I131-A152 HydrophobicContact CB-CB 4.43Å; I131-A152 HydrophobicContact CG1-CB 4.18Å; I131-I155 HydrophobicContact CD1-CD1 4.17Å; I131-I155 HydrophobicContact CG1-CD1 4.34Å; I131-C157 HydrophobicContact CG1-CB 4.13Å; I131-A158 PolarHBondContact N-O 3.01Å; I131-Y159 HydrophobicContact CB-CD2 4.03Å; I131-Y159 HydrophobicContact CG2-CD2 3.82Å; I131-Y159 HydrophobicContact CG2-CE2 4.24Å; I131-Y159 WeakPolarHBondContact O-CA 3.26Å; I131-L160 PolarHBondContact O-N 3.39Å; I131-L160 VanDerWaalsContact O-N 3.1Å
132I98.7Very high94.2Very high0 Ų047.5 Ų47.50%027%0.269CS..EExtended strand (participates in β ladder)trans-117111.8-177.7-56.9-60.1000110.1L36 L98 V99 V100 Y101 V130 N134 L160 T162 A173L36-I132 HydrophobicContact CD2-CG2 4.22Å; L98-I132 HydrophobicContact CB-CG1 4.15Å; L98-I132 HydrophobicContact CD2-CD1 4.18Å; L98-I132 HydrophobicContact CD2-CG1 4.03Å; V99-I132 PolarHBondContact O-N 2.97Å; V100-I132 WeakPolarHBondContact CA-O 3.19Å; V100-I132 HydrophobicContact CB-CB 4.5Å; V100-I132 HydrophobicContact CG1-CB 4.35Å; V100-I132 HydrophobicContact CG1-CG2 4.28Å; V100-I132 HydrophobicContact CG2-CB 4.22Å; Y101-I132 VanDerWaalsContact CD1-O 3.29Å; Y101-I132 WeakPolarHBondContact CD1-O 3.29Å; Y101-I132 PolarHBondContact N-O 3.19Å; V130-I132 HydrophobicContact CB-CD1 4.33Å; V130-I132 HydrophobicContact CG1-CD1 3.61Å; V130-I132 HydrophobicContact CG1-CG1 4.49Å; I132-N134 HydrophobicContact CG2-CB 4.39Å; I132-N134 PolarHBondContact O-N 2.63Å; I132-L160 WeakPolarHBondContact CA-O 3.38Å; I132-L160 HydrophobicContact CD1-CB 4.11Å; I132-T162 HydrophobicContact CG2-CG2 3.72Å; I132-T162 VanDerWaalsContact CG2-OG1 3.23Å; I132-T162 WeakPolarHBondContact CG2-OG1 3.43Å; I132-A173 HydrophobicContact CD1-CB 3.65Å
133G98.8Very high94.6Very high0 Ų044.6 Ų44.60%026%0.256CS..EExtended strand (participates in β ladder)trans-83.192.7167.300000110.4Y101 L160 E161 T162Y101-G133 VanDerWaalsContact CZ-CA 3.44Å; G133-L160 PolarHBondContact N-O 2.89Å; G133-E161 CarbonylContact O-C 3.56Å; G133-E161 WeakPolarHBondContact O-CA 3.46Å; G133-T162 PolarHBondContact O-N 3.03Å
134N98.7Very high94.9Very high2 Ų247.7 Ų47.71%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-87163.6-177-169.238.7000112.6V31 V100 Y101 V103 I132 T162 A164V31-N134 PolarHBondContact O-ND2 2.67Å; V100-N134 HydrophobicContact CG1-CB 3.82Å; Y101-N134 PolarHBondContact O-N 3.33Å; V103-N134 WeakPolarHBondContact CG1-O 3.47Å; V103-N134 PolarHBondContact N-O 2.97Å; I132-N134 HydrophobicContact CG2-CB 4.39Å; I132-N134 PolarHBondContact O-N 2.63Å; N134-T162 CarbonylContact C-O 3.46Å; N134-T162 VanDerWaalsContact CA-O 3.3Å; N134-T162 WeakPolarHBondContact CA-O 3.23Å; N134-T162 PolarHBondContact OD1-O 3.13Å; N134-T162 PolarHBondContact OD1-OG1 3.04Å; N134-A164 PolarHBondContact OD1-N 3.46Å
135K98Very high95.4Very high40 Ų4048.5 Ų48.517%0.17427%0.269CS..  trans66.135.1-178.9-44.8-170.3-165165.80113.6N30 D102 V103 D137 L138 T162N30-K135 WeakPolarHBondContact O-CE 3.41Å; N30-K135 PolarHBondContact O-NZ 3.02Å; D102-K135 HydrophobicContact CB-CD 4.5Å; D102-K135 WeakPolarHBondContact OD2-CD 3.39Å; D102-K135 VanDerWaalsContact OD2-CE 3.28Å; D102-K135 WeakPolarHBondContact OD2-CE 3.14Å; D102-K135 IonicContact OD2-NZ 3.85Å; D102-K135 PolarHBondContact OD2-NZ 3.4Å; V103-K135 WeakPolarHBondContact CG2-O 3.25Å; K135-D137 PolarHBondContact O-N 3.43Å; K135-D137 VanDerWaalsContact O-N 3.09Å; K135-L138 HydrophobicContact CB-CD1 3.68Å; K135-L138 HydrophobicContact CB-CG 3.97Å; K135-L138 HydrophobicContact CD-CD1 3.87Å; K135-L138 HydrophobicContact CG-CD1 4.48Å; K135-L138 WeakPolarHBondContact O-CB 3.28Å; K135-L138 WeakPolarHBondContact O-CG 3.28Å; K135-L138 PolarHBondContact O-N 3.27Å; K135-T162 PolarHBondContact N-O 3.05Å
136N97.4Very high96Very high29 Ų2949.6 Ų49.616%0.15526%0.263CS..THydrogen-bonded Turntrans-65.6-6.3175.365.614.6000114.6L138 E161 T162 S163 M168N136-L138 PolarHBondContact O-N 3.49Å; N136-E161 HydrophobicContact CB-CB 4.2Å; N136-E161 VanDerWaalsContact ND2-C 3.31Å; N136-E161 VanDerWaalsContact ND2-CB 3.29Å; N136-E161 WeakPolarHBondContact ND2-CB 3.3Å; N136-E161 PolarHBondContact ND2-O 3.29Å; N136-T162 VanDerWaalsContact CG-O 3.23Å; N136-T162 PolarHBondContact N-O 2.82Å; N136-T162 VanDerWaalsContact ND2-C 3.34Å; N136-T162 PolarHBondContact ND2-N 3.28Å; N136-T162 PolarHBondContact ND2-O 3.4Å; N136-T162 PolarHBondContact OD1-O 2.99Å; N136-S163 WeakPolarHBondContact OD1-CB 3.36Å; N136-S163 PolarHBondContact OD1-N 2.89Å; N136-M168 HydrophobicContact CB-CE 4.45Å; N136-M168 WeakPolarHBondContact ND2-CE 3.33Å; N136-M168 WeakPolarHBondContact OD1-CE 3.38Å
137D97.3Very high96.5Very high52 Ų5244.9 Ų44.928%0.27825%0.248SC..THydrogen-bonded Turntrans-71.5-14.216761.7-80.4000113.3K135 S163 K165 T166K135-D137 PolarHBondContact O-N 3.43Å; K135-D137 VanDerWaalsContact O-N 3.09Å; D137-S163 VanDerWaalsContact CG-OG 3.3Å; D137-S163 VanDerWaalsContact OD1-CB 3.24Å; D137-S163 WeakPolarHBondContact OD1-CB 3.42Å; D137-S163 PolarHBondContact OD1-OG 3.37Å; D137-K165 WeakPolarHBondContact OD2-CD 3.5Å; D137-K165 IonicContact OD2-NZ 2.7Å; D137-T166 HydrophobicContact CB-CG2 4.05Å
138L93.2Very high96.7Very high69 Ų6944.6 Ų44.636%0.36125%0.247SC..  trans-75.6128.3178-64.8177.6000110.8K135 N136 A140K135-L138 HydrophobicContact CB-CD1 3.68Å; K135-L138 HydrophobicContact CB-CG 3.97Å; K135-L138 HydrophobicContact CD-CD1 3.87Å; K135-L138 HydrophobicContact CG-CD1 4.48Å; K135-L138 WeakPolarHBondContact O-CB 3.28Å; K135-L138 WeakPolarHBondContact O-CG 3.28Å; K135-L138 PolarHBondContact O-N 3.27Å; N136-L138 PolarHBondContact O-N 3.49Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 3.13Å
139P89.8Confident96.7Very high131 Ų13147.5 Ų47.585%0.85126%0.259SS*.SBendtrans-68.8-31.5176.127.6-34000112R141P139-R141 PolarHBondContact O-N 3.03Å; P139-R141 VanDerWaalsContact O-N 3.07Å
140A90.5Very high96.8Very high76 Ų7651 Ų5163%0.62828%0.276SS*.  trans-80.885.8178.500000110.5G104 L138G104-A140 VanDerWaalsContact CA-O 3.32Å; G104-A140 WeakPolarHBondContact CA-O 3.43Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 3.13Å
141R95.8Very high96.7Very high88 Ų8852.5 Ų52.533%0.33228%0.282SS..  trans-89.4128.8175.9-177.3173.9-170103.922.2111.1P139 V143 V145 E161P139-R141 PolarHBondContact O-N 3.03Å; P139-R141 VanDerWaalsContact O-N 3.07Å; R141-V143 WeakPolarHBondContact CG-O 3.41Å; R141-V143 PolarHBondContact NE-O 2.7Å; R141-V143 PolarHBondContact NH2-O 2.89Å; R141-V145 VanDerWaalsContact NH1-CG2 3.32Å; R141-V145 VanDerWaalsContact NH2-N 3.17Å; R141-E161 IonicContact CZ-OE1 3.74Å; R141-E161 IonicContact CZ-OE2 2.72Å; R141-E161 VanDerWaalsContact NH1-CD 3.26Å; R141-E161 IonicContact NH1-OE1 2.8Å; R141-E161 PolarHBondContact NH1-OE1 3.28Å; R141-E161 IonicContact NH1-OE2 2.59Å; R141-E161 PolarHBondContact NH1-OE2 3.31Å; R141-E161 IonicContact NH2-OE1 3.83Å; R141-E161 PolarHBondContact NH2-OE1 3.01Å; R141-E161 IonicContact NH2-OE2 3.17Å
142A97Very high96.7Very high48 Ų4852.5 Ų52.540%0.39728%0.282SS..  trans-103-25.1175.700000113V103 G104 Q106V103-A142 PolarHBondContact O-N 3.11Å; G104-A142 WeakPolarHBondContact O-CB 3.23Å; Q106-A142 HydrophobicContact CB-CB 4.15Å; Q106-A142 PolarHBondContact OE1-O 2.92Å
143V97.4Very high96.7Very high0 Ų059.7 Ų59.70%031%0.313CS..SBendtrans-113.2114.4-176.6-176.80000109.6Y101 V103 F109 R141 A148Y101-V143 HydrophobicContact CD2-CG2 4.33Å; Y101-V143 HydrophobicContact CE2-CB 3.96Å; Y101-V143 HydrophobicContact CE2-CG1 3.92Å; Y101-V143 HydrophobicContact CE2-CG2 3.97Å; V103-V143 PolarHBondContact O-N 2.86Å; V103-V143 VanDerWaalsContact O-N 3.07Å; F109-V143 HydrophobicContact CB-CG1 4.21Å; F109-V143 HydrophobicContact CB-CG2 3.63Å; F109-V143 HydrophobicContact CD1-CG1 4.02Å; F109-V143 HydrophobicContact CD2-CG1 3.74Å; F109-V143 HydrophobicContact CE1-CG1 4.33Å; F109-V143 HydrophobicContact CE2-CG1 4.07Å; F109-V143 HydrophobicContact CG-CG1 3.71Å; F109-V143 HydrophobicContact CG-CG2 4.06Å; F109-V143 HydrophobicContact CZ-CG1 4.34Å; R141-V143 WeakPolarHBondContact CG-O 3.41Å; R141-V143 PolarHBondContact NE-O 2.7Å; R141-V143 PolarHBondContact NH2-O 2.89Å; V143-A148 HydrophobicContact CG1-CB 4.3Å
144N96Very high96.6Very high95 Ų9564 Ų6451%0.50834%0.343SS..  trans-61141.2176.6-172.7-59.9000112Q146 K147 A148N144-Q146 VanDerWaalsContact C-N 3.35Å; N144-Q146 PolarHBondContact O-N 3.44Å; N144-Q146 VanDerWaalsContact OD1-CB 3.31Å; N144-Q146 WeakPolarHBondContact OD1-CB 3.31Å; N144-Q146 PolarHBondContact OD1-N 3.44Å; N144-K147 HydrophobicContact CB-CB 4.19Å; N144-K147 WeakPolarHBondContact O-CB 3.46Å; N144-K147 PolarHBondContact O-N 3.33Å; N144-A148 PolarHBondContact O-N 3.44Å
145V96.8Very high96.3Very high49 Ų4966.2 Ų66.230%0.29736%0.355SS..Hα-helixtrans-56.3-49179-175.70000110.8R141 K147 A148 E149 Y159R141-V145 VanDerWaalsContact NH1-CG2 3.32Å; R141-V145 VanDerWaalsContact NH2-N 3.17Å; V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 3.01Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 3.02Å; V145-E149 HydrophobicContact CG1-CG 4.27Å; V145-E149 PolarHBondContact O-N 2.66Å; V145-Y159 HydrophobicContact CG1-CE1 4.1Å
146Q97.4Very high96.1Very high114 Ų11471.8 Ų71.853%0.53339%0.386SS..Hα-helixtrans-59.6-42.4-178.1-175-178.1-6.400111.4N144 A148 E149 E150N144-Q146 VanDerWaalsContact C-N 3.35Å; N144-Q146 PolarHBondContact O-N 3.44Å; N144-Q146 VanDerWaalsContact OD1-CB 3.31Å; N144-Q146 WeakPolarHBondContact OD1-CB 3.31Å; N144-Q146 PolarHBondContact OD1-N 3.44Å; Q146-A148 VanDerWaalsContact C-N 3.28Å; Q146-A148 PolarHBondContact O-N 3.03Å; Q146-E149 PolarHBondContact O-N 3.41Å; Q146-E150 HydrophobicContact CG-CG 4.41Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.42Å; Q146-E150 PolarHBondContact NE2-OE1 2.83Å; Q146-E150 WeakPolarHBondContact O-CB 3.31Å; Q146-E150 VanDerWaalsContact O-CG 3.29Å; Q146-E150 WeakPolarHBondContact O-CG 3.35Å; Q146-E150 PolarHBondContact O-N 3.48Å
147K97.2Very high95.9Very high94 Ų9471.2 Ų71.241%0.40938%0.384SS..Hα-helixtrans-59-40.3175.3178.9-179.1177.7-178.20111.6F109 N144 V145 Y151F109-K147 HydrophobicContact CE1-CD 4.33Å; F109-K147 HydrophobicContact CE1-CG 4.21Å; F109-K147 HydrophobicContact CZ-CG 4.37Å; N144-K147 HydrophobicContact CB-CB 4.19Å; N144-K147 WeakPolarHBondContact O-CB 3.46Å; N144-K147 PolarHBondContact O-N 3.33Å; V145-K147 VanDerWaalsContact C-N 3.31Å; V145-K147 PolarHBondContact O-N 3.01Å; K147-Y151 WeakPolarHBondContact O-CB 3.25Å; K147-Y151 PolarHBondContact O-N 3.49Å
148A98.2Very high95.9Very high0 Ų070.3 Ų70.30%038%0.384CS..Hα-helixtrans-74.2-37.6179.600000112.7Y101 F109 V143 N144 V145 Q146 Y151 A152 Y159Y101-A148 VanDerWaalsContact OH-CB 3.23Å; Y101-A148 WeakPolarHBondContact OH-CB 3.49Å; F109-A148 HydrophobicContact CD2-CB 4.44Å; F109-A148 HydrophobicContact CE2-CB 3.66Å; F109-A148 HydrophobicContact CZ-CB 4.23Å; V143-A148 HydrophobicContact CG1-CB 4.3Å; N144-A148 PolarHBondContact O-N 3.44Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 3.02Å; Q146-A148 VanDerWaalsContact C-N 3.28Å; Q146-A148 PolarHBondContact O-N 3.03Å; A148-Y151 PolarHBondContact O-N 3.09Å; A148-A152 WeakPolarHBondContact O-CB 3.1Å; A148-A152 PolarHBondContact O-N 2.96Å; A148-Y159 HydrophobicContact CB-CD2 4.31Å; A148-Y159 HydrophobicContact CB-CE1 4.4Å; A148-Y159 HydrophobicContact CB-CE2 3.51Å; A148-Y159 WeakPolarHBondContact CB-OH 3.4Å
149E98.3Very high96.2Very high79 Ų7968.7 Ų68.737%0.36937%0.373SS..Hα-helixtrans-63.6-46.7172.7-73.5-179.2171.700112.3V145 Q146 Y151 A152 K153 Y159V145-E149 HydrophobicContact CG1-CG 4.27Å; V145-E149 PolarHBondContact O-N 2.66Å; Q146-E149 PolarHBondContact O-N 3.41Å; E149-Y151 VanDerWaalsContact C-N 3.32Å; E149-Y151 PolarHBondContact O-N 3.23Å; E149-A152 PolarHBondContact O-N 3.41Å; E149-K153 WeakPolarHBondContact O-CB 3.39Å; E149-K153 VanDerWaalsContact O-CG 3.28Å; E149-K153 WeakPolarHBondContact O-CG 3.26Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-Y159 HydrophobicContact CB-CD1 4.43Å; E149-Y159 HydrophobicContact CG-CD1 3.43Å; E149-Y159 VanDerWaalsContact CG-CD1 3.43Å; E149-Y159 HydrophobicContact CG-CE1 3.63Å; E149-Y159 HydrophobicContact CG-CG 4.34Å
150E98.4Very high96.6Very high104 Ų10464.3 Ų64.349%0.48634%0.342SS..Hα-helixtrans-60.4-43.4176.1-75.1171.3-174.400111Q146 K153 S154Q146-E150 HydrophobicContact CG-CG 4.41Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.42Å; Q146-E150 PolarHBondContact NE2-OE1 2.83Å; Q146-E150 WeakPolarHBondContact O-CB 3.31Å; Q146-E150 VanDerWaalsContact O-CG 3.29Å; Q146-E150 WeakPolarHBondContact O-CG 3.35Å; Q146-E150 PolarHBondContact O-N 3.48Å; E150-K153 PolarHBondContact O-N 2.99Å; E150-S154 WeakPolarHBondContact O-CB 3.38Å; E150-S154 PolarHBondContact O-N 2.87Å
151Y98.3Very high97Very high32 Ų3262 Ų6213%0.12532%0.319CS..Hα-helixtrans-59.8-50.4174174-107.5000111.7F109 L112 N113 I116 K147 A148 E149 K153 S154 I155F109-Y151 HydrophobicContact CE2-CD1 4.01Å; F109-Y151 HydrophobicContact CE2-CG 4.39Å; F109-Y151 AromaticContact CZ-CD1 3.98Å; F109-Y151 HydrophobicContact CZ-CD1 3.98Å; F109-Y151 AromaticContact CZ-CG 3.91Å; F109-Y151 HydrophobicContact CZ-CG 3.91Å; L112-Y151 HydrophobicContact CB-CE1 3.97Å; L112-Y151 HydrophobicContact CD1-CD1 4.15Å; L112-Y151 HydrophobicContact CD1-CE1 3.7Å; N113-Y151 VanDerWaalsContact CG-OH 3.29Å; N113-Y151 PolarHBondContact OD1-OH 3.39Å; I116-Y151 HydrophobicContact CD1-CE1 4.31Å; I116-Y151 WeakPolarHBondContact CD1-OH 3.45Å; K147-Y151 WeakPolarHBondContact O-CB 3.25Å; K147-Y151 PolarHBondContact O-N 3.49Å; A148-Y151 PolarHBondContact O-N 3.09Å; E149-Y151 VanDerWaalsContact C-N 3.32Å; E149-Y151 PolarHBondContact O-N 3.23Å; Y151-K153 VanDerWaalsContact C-N 3.33Å; Y151-K153 PolarHBondContact O-N 3.2Å; Y151-S154 WeakPolarHBondContact O-CB 3.39Å; Y151-S154 PolarHBondContact O-N 3.28Å; Y151-S154 VanDerWaalsContact O-N 3.08Å; Y151-S154 PolarHBondContact O-OG 2.96Å; Y151-I155 HydrophobicContact CD1-CD1 4.45Å; Y151-I155 HydrophobicContact CE1-CD1 3.82Å; Y151-I155 HydrophobicContact CE2-CG2 4.38Å; Y151-I155 WeakPolarHBondContact O-CG1 3.24Å; Y151-I155 PolarHBondContact O-N 3.41Å
152A98.2Very high97.1Very high1 Ų157.9 Ų57.91%0.00830%0.303CS..Hα-helixtrans-60.9-41179.900000112.5I131 A148 E149 S154 I155 N156 C157 Y159I131-A152 HydrophobicContact CB-CB 4.43Å; I131-A152 HydrophobicContact CG1-CB 4.18Å; A148-A152 WeakPolarHBondContact O-CB 3.1Å; A148-A152 PolarHBondContact O-N 2.96Å; E149-A152 PolarHBondContact O-N 3.41Å; A152-S154 PolarHBondContact O-N 3.33Å; A152-I155 CarbonylContact O-C 3.56Å; A152-I155 WeakPolarHBondContact O-CG1 3.16Å; A152-I155 PolarHBondContact O-N 3.45Å; A152-N156 PolarHBondContact O-N 3.36Å; A152-N156 VanDerWaalsContact O-N 3.13Å; A152-C157 CarbonylContact C-O 3.53Å; A152-C157 PolarHBondContact O-N 3.11Å; A152-Y159 HydrophobicContact CB-CG 4.37Å
153K97.4Very high97.2Very high151 Ų15155.6 Ų55.666%0.65728%0.284SS*.Hα-helixtrans-59.2-44.4172.3-73.4169.9-176.1168.90111.5E149 E150 Y151 I155 N156E149-K153 WeakPolarHBondContact O-CB 3.39Å; E149-K153 VanDerWaalsContact O-CG 3.28Å; E149-K153 WeakPolarHBondContact O-CG 3.26Å; E149-K153 PolarHBondContact O-N 2.85Å; E150-K153 PolarHBondContact O-N 2.99Å; Y151-K153 VanDerWaalsContact C-N 3.33Å; Y151-K153 PolarHBondContact O-N 3.2Å; K153-I155 PolarHBondContact O-N 3.38Å; K153-I155 VanDerWaalsContact O-N 3.16Å; K153-N156 PolarHBondContact O-N 2.95Å
154S96.7Very high97.2Very high90 Ų9056.5 Ų56.563%0.62929%0.292SS*.Hα-helixtrans-61.3-24.5-179.179.10000113.9E150 Y151 A152E150-S154 WeakPolarHBondContact O-CB 3.38Å; E150-S154 PolarHBondContact O-N 2.87Å; Y151-S154 WeakPolarHBondContact O-CB 3.39Å; Y151-S154 PolarHBondContact O-N 3.28Å; Y151-S154 VanDerWaalsContact O-N 3.08Å; Y151-S154 PolarHBondContact O-OG 2.96Å; A152-S154 PolarHBondContact O-N 3.33Å
155I93.4Very high97.2Very high49 Ų4960 Ų6025%0.25130%0.303SS..THydrogen-bonded Turntrans-110.414.7177.963.2168.8000113.1I116 I131 Y151 A152 K153 C157I116-I155 HydrophobicContact CD1-CD1 3.37Å; I116-I155 HydrophobicContact CG1-CD1 4.45Å; I131-I155 HydrophobicContact CD1-CD1 4.17Å; I131-I155 HydrophobicContact CG1-CD1 4.34Å; Y151-I155 HydrophobicContact CD1-CD1 4.45Å; Y151-I155 HydrophobicContact CE1-CD1 3.82Å; Y151-I155 HydrophobicContact CE2-CG2 4.38Å; Y151-I155 WeakPolarHBondContact O-CG1 3.24Å; Y151-I155 PolarHBondContact O-N 3.41Å; A152-I155 CarbonylContact O-C 3.56Å; A152-I155 WeakPolarHBondContact O-CG1 3.16Å; A152-I155 PolarHBondContact O-N 3.45Å; K153-I155 PolarHBondContact O-N 3.38Å; K153-I155 VanDerWaalsContact O-N 3.16Å; I155-C157 VanDerWaalsContact C-N 3.35Å; I155-C157 HydrophobicContact CD1-CB 4.21Å; I155-C157 HydrophobicContact CG1-CB 4.06Å; I155-C157 PolarHBondContact O-N 3.5Å; I155-C157 PolarHBondContact O-SG 3.32Å
156N92.8Very high97.3Very high157 Ų15762 Ų6284%0.8432%0.315SS*.THydrogen-bonded Turntrans50.449.4-180-166.833.3000113.6A152 K153A152-N156 PolarHBondContact O-N 3.36Å; A152-N156 VanDerWaalsContact O-N 3.13Å; K153-N156 PolarHBondContact O-N 2.95Å
157C94.9Very high97.3Very high16 Ų1658.2 Ų58.211%0.10831%0.306CS..  trans-119.1147.7176.8-63.80000110K129 I131 A152 I155K129-C157 HydrophobicContact CB-CB 4.35Å; K129-C157 VanDerWaalsContact CB-SG 3.59Å; K129-C157 VanDerWaalsContact CE-SG 3.54Å; I131-C157 HydrophobicContact CG1-CB 4.13Å; A152-C157 CarbonylContact C-O 3.53Å; A152-C157 PolarHBondContact O-N 3.11Å; I155-C157 VanDerWaalsContact C-N 3.35Å; I155-C157 HydrophobicContact CD1-CB 4.21Å; I155-C157 HydrophobicContact CG1-CB 4.06Å; I155-C157 PolarHBondContact O-N 3.5Å; I155-C157 PolarHBondContact O-SG 3.32Å
158A96.9Very high97.3Very high33 Ų3358 Ų5827%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-69.7154.6167.600000110.1K129 V130 I131 T176 L180K129-A158 PolarHBondContact O-N 2.9Å; V130-A158 CarbonylContact C-O 3.38Å; V130-A158 WeakPolarHBondContact CA-O 3.48Å; V130-A158 HydrophobicContact CG1-CB 4.13Å; V130-A158 HydrophobicContact CG2-CB 4.19Å; I131-A158 PolarHBondContact N-O 3.01Å; A158-T176 HydrophobicContact CB-CG2 4.48Å; A158-L180 HydrophobicContact CB-CD1 3.91Å
159Y98.6Very high97.3Very high36 Ų3661.3 Ų61.314%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-133.8136.4179.3173.2-101.8000110.8Y101 I131 V145 A148 E149 A152 E161Y101-Y159 HydrophobicContact CE1-CE2 4.04Å; Y101-Y159 PolarHBondContact OH-OH 2.83Å; I131-Y159 HydrophobicContact CB-CD2 4.03Å; I131-Y159 HydrophobicContact CG2-CD2 3.82Å; I131-Y159 HydrophobicContact CG2-CE2 4.24Å; I131-Y159 WeakPolarHBondContact O-CA 3.26Å; V145-Y159 HydrophobicContact CG1-CE1 4.1Å; A148-Y159 HydrophobicContact CB-CD2 4.31Å; A148-Y159 HydrophobicContact CB-CE1 4.4Å; A148-Y159 HydrophobicContact CB-CE2 3.51Å; A148-Y159 WeakPolarHBondContact CB-OH 3.4Å; E149-Y159 HydrophobicContact CB-CD1 4.43Å; E149-Y159 HydrophobicContact CG-CD1 3.43Å; E149-Y159 VanDerWaalsContact CG-CD1 3.43Å; E149-Y159 HydrophobicContact CG-CE1 3.63Å; E149-Y159 HydrophobicContact CG-CG 4.34Å; A152-Y159 HydrophobicContact CB-CG 4.37Å; Y159-E161 HydrophobicContact CE1-CG 3.93Å; Y159-E161 WeakPolarHBondContact OH-CG 3.28Å; Y159-E161 PolarHBondContact OH-OE1 2.91Å
160L98.4Very high97.3Very high38 Ų3857.7 Ų57.720%0.19931%0.309CS..EExtended strand (participates in β ladder)trans-144145.5173.6-68.3161.6000109.1V130 I131 I132 G133 Q172 A173 T176V130-L160 HydrophobicContact CG1-CD1 4.22Å; I131-L160 PolarHBondContact O-N 3.39Å; I131-L160 VanDerWaalsContact O-N 3.1Å; I132-L160 WeakPolarHBondContact CA-O 3.38Å; I132-L160 HydrophobicContact CD1-CB 4.11Å; G133-L160 PolarHBondContact N-O 2.89Å; L160-Q172 HydrophobicContact CD1-CG 4.42Å; L160-A173 HydrophobicContact CD1-CB 4.37Å; L160-T176 HydrophobicContact CD1-CG2 4.28Å
161E98.6Very high97.1Very high29 Ų2956 Ų5614%0.13630%0.298CS..EExtended strand (participates in β ladder)trans-95.6141.2164.4-59.6-148127.900111.1V103 G133 N136 R141 Y159 N169V103-E161 VanDerWaalsContact CG1-OE1 3.26Å; V103-E161 WeakPolarHBondContact CG1-OE1 3.49Å; G133-E161 CarbonylContact O-C 3.56Å; G133-E161 WeakPolarHBondContact O-CA 3.46Å; N136-E161 HydrophobicContact CB-CB 4.2Å; N136-E161 VanDerWaalsContact ND2-C 3.31Å; N136-E161 VanDerWaalsContact ND2-CB 3.29Å; N136-E161 WeakPolarHBondContact ND2-CB 3.3Å; N136-E161 PolarHBondContact ND2-O 3.29Å; R141-E161 IonicContact CZ-OE1 3.74Å; R141-E161 IonicContact CZ-OE2 2.72Å; R141-E161 VanDerWaalsContact NH1-CD 3.26Å; R141-E161 IonicContact NH1-OE1 2.8Å; R141-E161 PolarHBondContact NH1-OE1 3.28Å; R141-E161 IonicContact NH1-OE2 2.59Å; R141-E161 PolarHBondContact NH1-OE2 3.31Å; R141-E161 IonicContact NH2-OE1 3.83Å; R141-E161 PolarHBondContact NH2-OE1 3.01Å; R141-E161 IonicContact NH2-OE2 3.17Å; Y159-E161 HydrophobicContact CE1-CG 3.93Å; Y159-E161 WeakPolarHBondContact OH-CG 3.28Å; Y159-E161 PolarHBondContact OH-OE1 2.91Å; E161-N169 WeakPolarHBondContact O-CB 3.35Å; E161-N169 PolarHBondContact O-ND2 3.23Å
162T98.8Very high97Very high0 Ų058.9 Ų58.90%031%0.313CS..EExtended strand (participates in β ladder)trans-130.1159.5179.764.10000111.8L36 I132 G133 N134 K135 N136 M168 N169 A173L36-T162 HydrophobicContact CD1-CG2 4.24Å; L36-T162 WeakPolarHBondContact CD1-OG1 3.44Å; I132-T162 HydrophobicContact CG2-CG2 3.72Å; I132-T162 VanDerWaalsContact CG2-OG1 3.23Å; I132-T162 WeakPolarHBondContact CG2-OG1 3.43Å; G133-T162 PolarHBondContact O-N 3.03Å; N134-T162 CarbonylContact C-O 3.46Å; N134-T162 VanDerWaalsContact CA-O 3.3Å; N134-T162 WeakPolarHBondContact CA-O 3.23Å; N134-T162 PolarHBondContact OD1-O 3.13Å; N134-T162 PolarHBondContact OD1-OG1 3.04Å; K135-T162 PolarHBondContact N-O 3.05Å; N136-T162 VanDerWaalsContact CG-O 3.23Å; N136-T162 PolarHBondContact N-O 2.82Å; N136-T162 VanDerWaalsContact ND2-C 3.34Å; N136-T162 PolarHBondContact ND2-N 3.28Å; N136-T162 PolarHBondContact ND2-O 3.4Å; N136-T162 PolarHBondContact OD1-O 2.99Å; T162-M168 VanDerWaalsContact CA-O 3.25Å; T162-M168 WeakPolarHBondContact CA-O 3.45Å; T162-N169 HydrophobicContact CG2-CB 4.03Å; T162-A173 HydrophobicContact CG2-CB 4.12Å
163S98.4Very high97.1Very high0 Ų058.8 Ų58.80%031%0.312CS..  trans-130.1109.3159.5164.10000109.2N136 D137 K165 T166 G167 M168 V170N136-S163 WeakPolarHBondContact OD1-CB 3.36Å; N136-S163 PolarHBondContact OD1-N 2.89Å; D137-S163 VanDerWaalsContact CG-OG 3.3Å; D137-S163 VanDerWaalsContact OD1-CB 3.24Å; D137-S163 WeakPolarHBondContact OD1-CB 3.42Å; D137-S163 PolarHBondContact OD1-OG 3.37Å; S163-K165 PolarHBondContact O-N 3.06Å; S163-K165 PolarHBondContact OG-N 3.32Å; S163-T166 WeakPolarHBondContact CB-OG1 3.33Å; S163-T166 PolarHBondContact O-N 3.42Å; S163-T166 PolarHBondContact OG-N 2.94Å; S163-T166 PolarHBondContact OG-OG1 3.16Å; S163-G167 CarbonylContact O-C 3.55Å; S163-G167 WeakPolarHBondContact O-CA 3.29Å; S163-G167 PolarHBondContact O-N 3.44Å; S163-M168 PolarHBondContact N-O 3.16Å; S163-M168 PolarHBondContact O-N 3.38Å; S163-V170 WeakPolarHBondContact O-CG2 3.33Å
164A97.4Very high97.1Very high19 Ų1951.7 Ų51.716%0.15728%0.281CS..THydrogen-bonded Turntrans-60.3-20.9170.200000113L36 S39 N134L36-A164 HydrophobicContact CD1-CB 4.39Å; S39-A164 WeakPolarHBondContact CB-O 3.36Å; S39-A164 PolarHBondContact OG-O 3.1Å; N134-A164 PolarHBondContact OD1-N 3.46Å
165K97.2Very high97Very high170 Ų17049 Ų4974%0.73926%0.259SS*.THydrogen-bonded Turntrans-76.8-42.6178.3-175.6-172.6-179.9-177.70111.9D137 S163D137-K165 WeakPolarHBondContact OD2-CD 3.5Å; D137-K165 IonicContact OD2-NZ 2.7Å; S163-K165 PolarHBondContact O-N 3.06Å; S163-K165 PolarHBondContact OG-N 3.32Å
166T97.6Very high97.2Very high91 Ų9147.9 Ų47.956%0.55826%0.255SS*.THydrogen-bonded Turntrans-97.5-13.4-176.762.50000113D137 S163 M168D137-T166 HydrophobicContact CB-CG2 4.05Å; S163-T166 WeakPolarHBondContact CB-OG1 3.33Å; S163-T166 PolarHBondContact O-N 3.42Å; S163-T166 PolarHBondContact OG-N 2.94Å; S163-T166 PolarHBondContact OG-OG1 3.16Å; T166-M168 VanDerWaalsContact C-N 3.27Å; T166-M168 WeakPolarHBondContact OG1-CB 3.28Å; T166-M168 PolarHBondContact OG1-N 2.91Å
167G96.8Very high97.5Very high34 Ų3440.5 Ų40.535%0.35122%0.215SC..  trans83.2-3.3-171.600000113.8S163 N169 V170S163-G167 CarbonylContact O-C 3.55Å; S163-G167 WeakPolarHBondContact O-CA 3.29Å; S163-G167 PolarHBondContact O-N 3.44Å; G167-N169 PolarHBondContact O-N 3.39Å; G167-V170 PolarHBondContact O-N 3.33Å
168M97.8Very high97.6Very high90 Ų9039.8 Ų39.844%0.44321%0.211SC..THydrogen-bonded Turntrans-58.9126.1-175.4-171.616775.500111.7N136 T162 S163 T166 V170N136-M168 HydrophobicContact CB-CE 4.45Å; N136-M168 WeakPolarHBondContact ND2-CE 3.33Å; N136-M168 WeakPolarHBondContact OD1-CE 3.38Å; T162-M168 VanDerWaalsContact CA-O 3.25Å; T162-M168 WeakPolarHBondContact CA-O 3.45Å; S163-M168 PolarHBondContact N-O 3.16Å; S163-M168 PolarHBondContact O-N 3.38Å; T166-M168 VanDerWaalsContact C-N 3.27Å; T166-M168 WeakPolarHBondContact OG1-CB 3.28Å; T166-M168 PolarHBondContact OG1-N 2.91Å; M168-V170 PolarHBondContact O-N 2.9Å
169N98.1Very high97.6Very high69 Ų6940.1 Ų40.137%0.36921%0.211SC..THydrogen-bonded Turntrans558.5-179.2-64.6-25.9000116E161 T162 G167 Q172 A173E161-N169 WeakPolarHBondContact O-CB 3.35Å; E161-N169 PolarHBondContact O-ND2 3.23Å; T162-N169 HydrophobicContact CG2-CB 4.03Å; G167-N169 PolarHBondContact O-N 3.39Å; N169-Q172 HydrophobicContact CB-CB 4.48Å; N169-Q172 PolarHBondContact O-N 3.35Å; N169-A173 PolarHBondContact O-N 2.89Å
170V98.1Very high97.5Very high3 Ų341.1 Ų41.12%0.01822%0.218CC..Hα-helixtrans-63.7-53.6-176.1176.80000110.2L36 F40 S163 G167 M168 Q172 A173 F174L36-V170 HydrophobicContact CD1-CB 4.34Å; L36-V170 HydrophobicContact CD1-CG1 3.97Å; L36-V170 HydrophobicContact CD1-CG2 3.81Å; L36-V170 HydrophobicContact CG-CG1 4.31Å; L36-V170 WeakPolarHBondContact O-CG1 3.43Å; F40-V170 HydrophobicContact CB-CG1 3.76Å; S163-V170 WeakPolarHBondContact O-CG2 3.33Å; G167-V170 PolarHBondContact O-N 3.33Å; M168-V170 PolarHBondContact O-N 2.9Å; V170-Q172 VanDerWaalsContact C-N 3.31Å; V170-Q172 PolarHBondContact O-N 3.48Å; V170-A173 WeakPolarHBondContact O-CB 3.39Å; V170-A173 PolarHBondContact O-N 2.96Å; V170-F174 HydrophobicContact CG1-CE2 4.39Å; V170-F174 WeakPolarHBondContact O-CD2 2.9Å
171R95.1Very high97.4Very high69 Ų6939.3 Ų39.326%0.2621%0.209SC..Hα-helixtrans-59.1-43.1175.6-169.4179.317684.32.7111.7F40 D45 E48 Y60 A173 F174 I175F40-R171 HydrophobicContact CE2-CG 4.29Å; D45-R171 IonicContact OD2-NH2 3.67Å; E48-R171 VanDerWaalsContact CD-NH2 3.3Å; E48-R171 IonicContact OE1-CZ 2.95Å; E48-R171 IonicContact OE1-NH1 2.73Å; E48-R171 IonicContact OE1-NH2 3.38Å; E48-R171 PolarHBondContact OE1-NH2 2.75Å; E48-R171 IonicContact OE2-CZ 3.94Å; E48-R171 IonicContact OE2-NH1 3.16Å; E48-R171 PolarHBondContact OE2-NH1 3.23Å; E48-R171 IonicContact OE2-NH2 3.56Å; E48-R171 PolarHBondContact OE2-NH2 3.11Å; E48-R171 VanDerWaalsContact OE2-NH2 3.16Å; Y60-R171 PolarHBondContact OH-NH1 3.39Å; R171-A173 VanDerWaalsContact C-N 3.27Å; R171-A173 PolarHBondContact O-N 2.73Å; R171-F174 PolarHBondContact O-N 3.16Å; R171-I175 HydrophobicContact CG-CD1 3.76Å; R171-I175 HydrophobicContact CG-CG1 4.3Å; R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.35Å
172Q96.8Very high97.2Very high91 Ų9139.2 Ų39.243%0.42521%0.209SC..Hα-helixtrans-59.1-36.3178.6-170.759.333.200112.4L160 N169 V170 T176L160-Q172 HydrophobicContact CD1-CG 4.42Å; N169-Q172 HydrophobicContact CB-CB 4.48Å; N169-Q172 PolarHBondContact O-N 3.35Å; V170-Q172 VanDerWaalsContact C-N 3.31Å; V170-Q172 PolarHBondContact O-N 3.48Å; Q172-T176 PolarHBondContact NE2-OG1 2.83Å; Q172-T176 WeakPolarHBondContact O-CB 3.47Å; Q172-T176 PolarHBondContact O-N 3.17Å; Q172-T176 PolarHBondContact O-OG1 3.34Å
173A98.5Very high96.9Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-61.3-46.3177.200000112.4L98 I132 L160 T162 N169 V170 R171 L177L98-A173 HydrophobicContact CD1-CB 4.49Å; I132-A173 HydrophobicContact CD1-CB 3.65Å; L160-A173 HydrophobicContact CD1-CB 4.37Å; T162-A173 HydrophobicContact CG2-CB 4.12Å; N169-A173 PolarHBondContact O-N 2.89Å; V170-A173 WeakPolarHBondContact O-CB 3.39Å; V170-A173 PolarHBondContact O-N 2.96Å; R171-A173 VanDerWaalsContact C-N 3.27Å; R171-A173 PolarHBondContact O-N 2.73Å; A173-L177 PolarHBondContact O-N 2.94Å; A173-L177 VanDerWaalsContact O-N 3.11Å
174F97.5Very high96.7Very high1 Ų146.5 Ų46.50%0.00424%0.242CC..Hα-helixtrans-70.9-41.8178.6-71.3-92.3000112.1I23 L25 L36 L37 F40 I73 L98 V170 R171 L177 A178I23-F174 HydrophobicContact CD1-CD1 3.66Å; I23-F174 HydrophobicContact CD1-CE1 3.87Å; L25-F174 HydrophobicContact CD2-CE1 4.11Å; L25-F174 HydrophobicContact CD2-CZ 4.19Å; L36-F174 HydrophobicContact CD2-CE2 4.39Å; L36-F174 HydrophobicContact CG-CE2 4.19Å; L37-F174 HydrophobicContact CD1-CZ 4.41Å; F40-F174 HydrophobicContact CB-CD2 3.79Å; F40-F174 HydrophobicContact CB-CE2 3.51Å; F40-F174 HydrophobicContact CB-CZ 4.12Å; F40-F174 HydrophobicContact CD1-CD1 4Å; F40-F174 AromaticContact CD1-CD2 3.93Å; F40-F174 HydrophobicContact CD1-CD2 3.93Å; F40-F174 HydrophobicContact CD1-CE1 4.11Å; F40-F174 HydrophobicContact CD1-CE2 4.06Å; F40-F174 AromaticContact CD1-CG 3.92Å; F40-F174 HydrophobicContact CD1-CG 3.92Å; F40-F174 HydrophobicContact CD1-CZ 4.14Å; F40-F174 HydrophobicContact CD2-CB 4.02Å; F40-F174 AromaticContact CD2-CD2 3.51Å; F40-F174 HydrophobicContact CD2-CD2 3.51Å; F40-F174 HydrophobicContact CD2-CE2 4.16Å; F40-F174 AromaticContact CD2-CG 3.85Å; F40-F174 HydrophobicContact CD2-CG 3.85Å; F40-F174 HydrophobicContact CE1-CB 4.24Å; F40-F174 AromaticContact CE1-CD1 3.99Å; F40-F174 HydrophobicContact CE1-CD1 3.99Å; F40-F174 HydrophobicContact CE1-CD2 4.4Å; F40-F174 HydrophobicContact CE1-CE1 4.47Å; F40-F174 AromaticContact CE1-CG 3.96Å; F40-F174 HydrophobicContact CE1-CG 3.96Å; F40-F174 HydrophobicContact CE2-CB 3.6Å; F40-F174 HydrophobicContact CE2-CD2 4.03Å; F40-F174 AromaticContact CE2-CG 3.88Å; F40-F174 HydrophobicContact CE2-CG 3.88Å; F40-F174 HydrophobicContact CG-CB 4.48Å; F40-F174 HydrophobicContact CG-CD1 4.36Å; F40-F174 AromaticContact CG-CD2 3.45Å; F40-F174 HydrophobicContact CG-CD2 3.45Å; F40-F174 VanDerWaalsContact CG-CD2 3.45Å; F40-F174 AromaticContact CG-CE2 3.64Å; F40-F174 HydrophobicContact CG-CE2 3.64Å; F40-F174 AromaticContact CG-CG 3.85Å; F40-F174 HydrophobicContact CG-CG 3.85Å; F40-F174 HydrophobicContact CG-CZ 4.18Å; F40-F174 HydrophobicContact CZ-CB 3.72Å; F40-F174 HydrophobicContact CZ-CD1 4.34Å; F40-F174 HydrophobicContact CZ-CD2 4.43Å; F40-F174 AromaticContact CZ-CG 3.92Å; F40-F174 HydrophobicContact CZ-CG 3.92Å; I73-F174 HydrophobicContact CD1-CD1 4.13Å; I73-F174 HydrophobicContact CD1-CE1 3.95Å; I73-F174 HydrophobicContact CG2-CE1 4.17Å; L98-F174 HydrophobicContact CD1-CD1 4.05Å; L98-F174 HydrophobicContact CD1-CD2 4.19Å; L98-F174 HydrophobicContact CD1-CE1 3.77Å; L98-F174 HydrophobicContact CD1-CE2 3.91Å; L98-F174 HydrophobicContact CD1-CG 4.25Å; L98-F174 HydrophobicContact CD1-CZ 3.69Å; V170-F174 HydrophobicContact CG1-CE2 4.39Å; V170-F174 WeakPolarHBondContact O-CD2 2.9Å; R171-F174 PolarHBondContact O-N 3.16Å; F174-L177 PolarHBondContact O-N 2.76Å; F174-A178 WeakPolarHBondContact O-CB 3.47Å; F174-A178 PolarHBondContact O-N 3.14Å
175I96Very high96.4Very high34 Ų3448 Ų4817%0.17425%0.248CC..Hα-helixtrans-62-44.8176.2-69-179.6000111.1M62 L64 R171 A178 S179M62-I175 HydrophobicContact SD-CG1 4.35Å; L64-I175 HydrophobicContact CD2-CB 4.38Å; L64-I175 HydrophobicContact CD2-CD1 4.46Å; L64-I175 HydrophobicContact CD2-CG1 4.05Å; L64-I175 HydrophobicContact CD2-CG2 3.84Å; R171-I175 HydrophobicContact CG-CD1 3.76Å; R171-I175 HydrophobicContact CG-CG1 4.3Å; R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.35Å; I175-A178 PolarHBondContact O-N 2.87Å; I175-S179 VanDerWaalsContact O-CB 3.29Å; I175-S179 WeakPolarHBondContact O-CB 3.48Å; I175-S179 PolarHBondContact O-N 2.7Å; I175-S179 PolarHBondContact O-OG 3.19Å
176T97.9Very high96.1Very high26 Ų2641.9 Ų41.916%0.1623%0.229CC..Hα-helixtrans-61.6-47.6179-60.10000110.3V130 A158 L160 Q172 A178 S179 L180V130-T176 HydrophobicContact CG2-CG2 4.47Å; A158-T176 HydrophobicContact CB-CG2 4.48Å; L160-T176 HydrophobicContact CD1-CG2 4.28Å; Q172-T176 PolarHBondContact NE2-OG1 2.83Å; Q172-T176 WeakPolarHBondContact O-CB 3.47Å; Q172-T176 PolarHBondContact O-N 3.17Å; Q172-T176 PolarHBondContact O-OG1 3.34Å; T176-A178 PolarHBondContact O-N 2.86Å; T176-S179 PolarHBondContact O-N 2.55Å; T176-L180 HydrophobicContact CG2-CD1 3.93Å; T176-L180 HydrophobicContact CG2-CG 4.45Å; T176-L180 WeakPolarHBondContact O-CB 3.35Å; T176-L180 VanDerWaalsContact O-CG 3.24Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.38Å
177L98.3Very high95.7Very high1 Ų142.6 Ų42.61%0.00523%0.226CC..Hα-helixtrans-59.7-48.8177.5177.763000111.7I23 L98 V128 V130 A173 F174 L180 I181I23-L177 HydrophobicContact CB-CD2 3.97Å; I23-L177 HydrophobicContact CD1-CD2 4.19Å; I23-L177 HydrophobicContact CG2-CD2 3.7Å; I23-L177 HydrophobicContact CG2-CG 4.33Å; L98-L177 HydrophobicContact CD2-CB 4Å; L98-L177 HydrophobicContact CD2-CD2 3.73Å; L98-L177 HydrophobicContact CD2-CG 4.38Å; L98-L177 HydrophobicContact CG-CD2 3.87Å; V128-L177 HydrophobicContact CB-CD1 4.23Å; V128-L177 HydrophobicContact CG1-CD1 3.87Å; V130-L177 HydrophobicContact CG2-CB 3.88Å; V130-L177 HydrophobicContact CG2-CD1 3.95Å; A173-L177 PolarHBondContact O-N 2.94Å; A173-L177 VanDerWaalsContact O-N 3.11Å; F174-L177 PolarHBondContact O-N 2.76Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-I181 HydrophobicContact CD1-CD1 4.02Å; L177-I181 HydrophobicContact CD1-CG1 4.47Å; L177-I181 HydrophobicContact CG-CD1 3.94Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.25Å; L177-I181 PolarHBondContact O-N 3.27Å; L177-I181 VanDerWaalsContact O-N 3.09Å
178A97.2Very high95.2Very high1 Ų144.8 Ų44.81%0.00823%0.228CC..Hα-helixtrans-62.7-43.6-179.900000112.1I21 M62 L64 L71 F174 I175 T176 L180 I181 I182I21-A178 HydrophobicContact CD1-CB 4.16Å; M62-A178 HydrophobicContact CE-CB 3.56Å; L64-A178 HydrophobicContact CD1-CB 3.61Å; L71-A178 HydrophobicContact CD2-CB 4.1Å; F174-A178 WeakPolarHBondContact O-CB 3.47Å; F174-A178 PolarHBondContact O-N 3.14Å; I175-A178 PolarHBondContact O-N 2.87Å; T176-A178 PolarHBondContact O-N 2.86Å; A178-L180 PolarHBondContact O-N 3.01Å; A178-I181 PolarHBondContact O-N 3.49Å; A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 3.04Å
179S96.2Very high94.6Very high41 Ų4145.5 Ų45.529%0.28723%0.232SC..Hα-helixtrans-61.9-45.1178.8-57.60000111.7I175 T176 I181 I182 E183I175-S179 VanDerWaalsContact O-CB 3.29Å; I175-S179 WeakPolarHBondContact O-CB 3.48Å; I175-S179 PolarHBondContact O-N 2.7Å; I175-S179 PolarHBondContact O-OG 3.19Å; T176-S179 PolarHBondContact O-N 2.55Å; S179-I181 VanDerWaalsContact C-N 3.31Å; S179-I181 PolarHBondContact O-N 2.89Å; S179-I182 PolarHBondContact O-N 3.44Å; S179-E183 WeakPolarHBondContact O-CB 3.39Å; S179-E183 PolarHBondContact O-N 2.93Å
180L97Very high94Very high56 Ų5646.1 Ų46.129%0.29324%0.236SC..Hα-helixtrans-62.9-35.6176.6-70.9171.2000112.5V128 V130 A158 T176 L177 A178 K184V128-L180 HydrophobicContact CG1-CB 3.59Å; V128-L180 HydrophobicContact CG1-CD1 4.24Å; V130-L180 HydrophobicContact CG2-CD1 4.28Å; A158-L180 HydrophobicContact CB-CD1 3.91Å; T176-L180 HydrophobicContact CG2-CD1 3.93Å; T176-L180 HydrophobicContact CG2-CG 4.45Å; T176-L180 WeakPolarHBondContact O-CB 3.35Å; T176-L180 VanDerWaalsContact O-CG 3.24Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.38Å; L177-L180 PolarHBondContact O-N 2.97Å; A178-L180 PolarHBondContact O-N 3.01Å; L180-K184 VanDerWaalsContact O-CB 3.25Å; L180-K184 WeakPolarHBondContact O-CB 3.32Å; L180-K184 PolarHBondContact O-N 2.95Å
181I96.3Very high93.2Very high1 Ų149.4 Ų49.41%0.00526%0.256CS..Hα-helixtrans-66.9-46.1174.6-67.5160.7000110.7I21 I23 E95 V128 L177 A178 S179 E183 K184 N185I21-I181 HydrophobicContact CD1-CB 4.44Å; I21-I181 HydrophobicContact CD1-CG2 4.23Å; I21-I181 HydrophobicContact CG1-CG2 4.43Å; I21-I181 HydrophobicContact CG2-CB 4.5Å; I21-I181 HydrophobicContact CG2-CD1 3.49Å; I21-I181 VanDerWaalsContact CG2-CD1 3.49Å; I21-I181 HydrophobicContact CG2-CG2 4.09Å; I23-I181 HydrophobicContact CG2-CD1 4.11Å; E95-I181 HydrophobicContact CB-CD1 4.28Å; E95-I181 HydrophobicContact CB-CG2 3.94Å; V128-I181 HydrophobicContact CB-CG1 3.68Å; V128-I181 HydrophobicContact CG1-CG1 4.14Å; V128-I181 HydrophobicContact CG2-CB 4.5Å; V128-I181 HydrophobicContact CG2-CG1 3.73Å; L177-I181 HydrophobicContact CD1-CD1 4.02Å; L177-I181 HydrophobicContact CD1-CG1 4.47Å; L177-I181 HydrophobicContact CG-CD1 3.94Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.25Å; L177-I181 PolarHBondContact O-N 3.27Å; L177-I181 VanDerWaalsContact O-N 3.09Å; A178-I181 PolarHBondContact O-N 3.49Å; S179-I181 VanDerWaalsContact C-N 3.31Å; S179-I181 PolarHBondContact O-N 2.89Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 3.1Å; I181-K184 PolarHBondContact O-N 3.3Å; I181-N185 WeakPolarHBondContact O-CB 3.49Å; I181-N185 PolarHBondContact O-N 3.36Å
182I94.4Very high92.5Very high26 Ų2650.4 Ų50.413%0.13327%0.266CS..Hα-helixtrans-61.4-45.6179.5-67.4168.6000110.4K19 I21 L64 V69 A178 S179 N185 A186K19-I182 HydrophobicContact CD-CD1 4.33Å; K19-I182 HydrophobicContact CD-CG1 4.14Å; K19-I182 HydrophobicContact CD-CG2 4.3Å; I21-I182 HydrophobicContact CD1-CD1 4.18Å; I21-I182 HydrophobicContact CD1-CG1 3.86Å; L64-I182 HydrophobicContact CD1-CD1 4.1Å; V69-I182 HydrophobicContact CG2-CD1 3.88Å; A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 3.04Å; S179-I182 PolarHBondContact O-N 3.44Å; I182-N185 PolarHBondContact O-N 3.29Å; I182-A186 WeakPolarHBondContact O-CB 3.35Å; I182-A186 PolarHBondContact O-N 3.25Å
183E93.3Very high91.5Very high107 Ų10752.6 Ų52.650%0.527%0.274SS..Hα-helixtrans-60.7-50.2177.6-174.5-176.2175.700111.4S179 I181 N185 A186 Q187S179-E183 WeakPolarHBondContact O-CB 3.39Å; S179-E183 PolarHBondContact O-N 2.93Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 3.1Å; E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.03Å; E183-A186 WeakPolarHBondContact O-CB 3.39Å; E183-A186 PolarHBondContact O-N 3.07Å; E183-A186 VanDerWaalsContact O-N 3.16Å; E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 2.64Å; E183-Q187 PolarHBondContact OE1-NE2 3.37Å
184K93.6Very high90.5Very high46 Ų4658.6 Ų58.620%0.230%0.302CS..Hα-helixtrans-57.8-43.4176.8176.8-170.2157.4-150.90111.8R126 V128 L180 I181 Q187 Q188R126-K184 VanDerWaalsContact O-CE 3.29Å; R126-K184 WeakPolarHBondContact O-CE 3.29Å; R126-K184 PolarHBondContact O-NZ 2.99Å; V128-K184 HydrophobicContact CG2-CB 4.43Å; V128-K184 HydrophobicContact CG2-CD 3.48Å; V128-K184 VanDerWaalsContact CG2-CD 3.48Å; L180-K184 VanDerWaalsContact O-CB 3.25Å; L180-K184 WeakPolarHBondContact O-CB 3.32Å; L180-K184 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact O-N 3.3Å; K184-Q187 PolarHBondContact O-N 3.09Å; K184-Q188 WeakPolarHBondContact O-CG 3.29Å; K184-Q188 PolarHBondContact O-N 2.8Å
185N91.4Very high89.3Confident50 Ų5062.9 Ų62.927%0.26733%0.325SS..Hα-helixtrans-66.2-38.7179.2-72-7.5000111E95 I181 I182 E183 Q188 L189E95-N185 PolarHBondContact OE2-ND2 3.02Å; E95-N185 VanDerWaalsContact OE2-ND2 3.11Å; I181-N185 WeakPolarHBondContact O-CB 3.49Å; I181-N185 PolarHBondContact O-N 3.36Å; I182-N185 PolarHBondContact O-N 3.29Å; E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.03Å; N185-Q188 PolarHBondContact O-N 3.27Å; N185-L189 WeakPolarHBondContact O-CG 3.4Å; N185-L189 PolarHBondContact O-N 2.8Å
186A89.7Confident88.2Confident43 Ų4365.1 Ų65.136%0.35534%0.337SS..Hα-helixtrans-64-43.817500000112.3I182 E183 Q188 L189 N190I182-A186 WeakPolarHBondContact O-CB 3.35Å; I182-A186 PolarHBondContact O-N 3.25Å; E183-A186 WeakPolarHBondContact O-CB 3.39Å; E183-A186 PolarHBondContact O-N 3.07Å; E183-A186 VanDerWaalsContact O-N 3.16Å; A186-Q188 VanDerWaalsContact C-N 3.33Å; A186-Q188 PolarHBondContact O-N 3.07Å; A186-L189 PolarHBondContact O-N 3.15Å; A186-N190 PolarHBondContact O-N 2.97Å
187Q89.9Confident86.7Confident106 Ų10667.7 Ų67.750%0.49535%0.352SS..Hα-helixtrans-59.7-43.5175.3-69.6172.11.300111.4E183 K184 L189 N190 T191E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 2.64Å; E183-Q187 PolarHBondContact OE1-NE2 3.37Å; K184-Q187 PolarHBondContact O-N 3.09Å; Q187-L189 PolarHBondContact O-N 2.95Å; Q187-N190 PolarHBondContact O-N 3.49Å; Q187-T191 PolarHBondContact O-N 2.88Å; Q187-T191 VanDerWaalsContact O-N 3.1Å; Q187-T191 PolarHBondContact O-OG1 2.99Å
188Q86.5Confident85Confident80 Ų8070.9 Ų70.937%0.37437%0.372SS..Hα-helixtrans-62.6-40.9176.9-72.3179.3-0.600112.7K184 N185 A186 I192K184-Q188 WeakPolarHBondContact O-CG 3.29Å; K184-Q188 PolarHBondContact O-N 2.8Å; N185-Q188 PolarHBondContact O-N 3.27Å; A186-Q188 VanDerWaalsContact C-N 3.33Å; A186-Q188 PolarHBondContact O-N 3.07Å; Q188-I192 WeakPolarHBondContact O-CD1 3.26Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.29Å; Q188-I192 PolarHBondContact O-N 2.94Å; Q188-I192 VanDerWaalsContact O-N 3.16Å
189L85.1Confident83Confident104 Ų10476.3 Ų76.355%0.54540%0.4SS..Hα-helixtrans-65.8-38.4177.2-70.7171.6000112.3N185 A186 Q187 I192 K193N185-L189 WeakPolarHBondContact O-CG 3.4Å; N185-L189 PolarHBondContact O-N 2.8Å; A186-L189 PolarHBondContact O-N 3.15Å; Q187-L189 PolarHBondContact O-N 2.95Å; L189-I192 PolarHBondContact O-N 2.97Å; L189-K193 WeakPolarHBondContact O-CG 3.45Å; L189-K193 PolarHBondContact O-N 3.12Å
190N84.9Confident81.2Confident82 Ų8283.2 Ų83.244%0.43942%0.42SS..Hα-helixtrans-65.5-45177.7-69.6-15.9000111.4A186 Q187 I192 K193 E194A186-N190 PolarHBondContact O-N 2.97Å; Q187-N190 PolarHBondContact O-N 3.49Å; N190-I192 VanDerWaalsContact C-N 3.28Å; N190-I192 PolarHBondContact O-N 2.7Å; N190-K193 PolarHBondContact O-N 3.3Å; N190-K193 VanDerWaalsContact O-N 3.1Å; N190-E194 WeakPolarHBondContact O-CG 3.27Å; N190-E194 PolarHBondContact O-N 3.44Å
191T82.6Confident79.3Confident73 Ų7386.8 Ų86.845%0.44844%0.435SS..Hα-helixtrans-58.2-39174.9-53.60000112.3Q187 N195Q187-T191 PolarHBondContact O-N 2.88Å; Q187-T191 VanDerWaalsContact O-N 3.1Å; Q187-T191 PolarHBondContact O-OG1 2.99Å; T191-N195 WeakPolarHBondContact O-CB 3.35Å; T191-N195 PolarHBondContact O-N 3.48Å; T191-N195 PolarHBondContact O-ND2 3.39Å; T191-N195 VanDerWaalsContact O-ND2 3.13Å
192I79.9Confident77.5Confident90 Ų9094.4 Ų94.446%0.46247%0.468SS..Hα-helixtrans-67.3-42.3176.7-67.4163.2000111.1Q188 L189 N190 N195 N196Q188-I192 WeakPolarHBondContact O-CD1 3.26Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.29Å; Q188-I192 PolarHBondContact O-N 2.94Å; Q188-I192 VanDerWaalsContact O-N 3.16Å; L189-I192 PolarHBondContact O-N 2.97Å; N190-I192 VanDerWaalsContact C-N 3.28Å; N190-I192 PolarHBondContact O-N 2.7Å; I192-N195 PolarHBondContact O-N 3.13Å; I192-N196 WeakPolarHBondContact O-CB 3.21Å; I192-N196 VanDerWaalsContact O-CG 3.23Å; I192-N196 PolarHBondContact O-N 3.05Å; I192-N196 PolarHBondContact O-ND2 3.36Å
193K76.4Confident75.7Confident136 Ų13697.5 Ų97.559%0.59149%0.492SS*.Hα-helixtrans-62.4-47.6177.8-73.5174.9-178.3177.10111.2L189 N190 N196 V197L189-K193 WeakPolarHBondContact O-CG 3.45Å; L189-K193 PolarHBondContact O-N 3.12Å; N190-K193 PolarHBondContact O-N 3.3Å; N190-K193 VanDerWaalsContact O-N 3.1Å; K193-N196 PolarHBondContact O-N 3.31Å; K193-V197 VanDerWaalsContact O-CG2 3.28Å; K193-V197 WeakPolarHBondContact O-CG2 3.3Å; K193-V197 PolarHBondContact O-N 3.16Å
194E76.2Confident73.9Confident126 Ų126101 Ų10159%0.58951%0.506SS*.Hα-helixtrans-59.9-47.4177.7-71.6172.4-173.200111.5N190 N196 V197 V198N190-E194 WeakPolarHBondContact O-CG 3.27Å; N190-E194 PolarHBondContact O-N 3.44Å; E194-N196 VanDerWaalsContact C-N 3.33Å; E194-N196 PolarHBondContact O-N 3.39Å; E194-V197 PolarHBondContact O-N 2.98Å; E194-V198 WeakPolarHBondContact O-CG2 3.42Å; E194-V198 PolarHBondContact O-N 3.49Å
195N73.8Confident71.8Confident91 Ų91108.1 Ų108.149%0.48754%0.537SS..Hα-helixtrans-61.9-39.6177.4-72.6-25.3000112.4T191 I192 V198 L199T191-N195 WeakPolarHBondContact O-CB 3.35Å; T191-N195 PolarHBondContact O-N 3.48Å; T191-N195 PolarHBondContact O-ND2 3.39Å; T191-N195 VanDerWaalsContact O-ND2 3.13Å; I192-N195 PolarHBondContact O-N 3.13Å; N195-V198 PolarHBondContact O-N 3.22Å; N195-L199 WeakPolarHBondContact O-CB 3.28Å; N195-L199 VanDerWaalsContact O-CG 3.25Å; N195-L199 WeakPolarHBondContact O-CG 3.25Å; N195-L199 PolarHBondContact O-N 2.9Å
196N71Confident69.8Low82 Ų82114.3 Ų114.344%0.43956%0.564SS.*Hα-helixtrans-69.9-33.2176.9-75-22.8000112.9I192 K193 E194 R200I192-N196 WeakPolarHBondContact O-CB 3.21Å; I192-N196 VanDerWaalsContact O-CG 3.23Å; I192-N196 PolarHBondContact O-N 3.05Å; I192-N196 PolarHBondContact O-ND2 3.36Å; K193-N196 PolarHBondContact O-N 3.31Å; E194-N196 VanDerWaalsContact C-N 3.33Å; E194-N196 PolarHBondContact O-N 3.39Å; N196-R200 WeakPolarHBondContact O-CB 3.48Å; N196-R200 VanDerWaalsContact O-CG 3.25Å; N196-R200 WeakPolarHBondContact O-CG 3.29Å; N196-R200 PolarHBondContact O-N 3Å; N196-R200 VanDerWaalsContact O-N 3.16Å
197V66.8Low67.9Low79 Ų79118.8 Ų118.848%0.47959%0.586SS.*Hα-helixtrans-66.8-47.3173.8171.70000110.1K193 E194 L199 R200 E201K193-V197 VanDerWaalsContact O-CG2 3.28Å; K193-V197 WeakPolarHBondContact O-CG2 3.3Å; K193-V197 PolarHBondContact O-N 3.16Å; E194-V197 PolarHBondContact O-N 2.98Å; V197-L199 PolarHBondContact O-N 2.91Å; V197-R200 PolarHBondContact O-N 3.16Å; V197-R200 VanDerWaalsContact O-N 3.13Å; V197-E201 PolarHBondContact O-N 2.52Å
198V64Low65.9Low69 Ų69122.2 Ų122.242%0.41860%0.603SS.*Hα-helixtrans-62.4-40.1178.8175.40000112E194 N195 R200 E201 K202E194-V198 WeakPolarHBondContact O-CG2 3.42Å; E194-V198 PolarHBondContact O-N 3.49Å; N195-V198 PolarHBondContact O-N 3.22Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 2.78Å; V198-E201 PolarHBondContact O-N 3.12Å; V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.21Å; V198-K202 VanDerWaalsContact O-N 3.12Å
199L53.9Low63.9Low114 Ų114123.2 Ų123.260%0.59762%0.617SS**Hα-helixtrans-64.3-37.4175.5-72.6171.4000112.3N195 V197 S203N195-L199 WeakPolarHBondContact O-CB 3.28Å; N195-L199 VanDerWaalsContact O-CG 3.25Å; N195-L199 WeakPolarHBondContact O-CG 3.25Å; N195-L199 PolarHBondContact O-N 2.9Å; V197-L199 PolarHBondContact O-N 2.91Å; L199-S203 PolarHBondContact O-N 3.29Å
200R58.4Low62.4Low186 Ų186124.7 Ų124.770%0.70264%0.635SS**Hα-helixtrans-72.3-30.8176.9-74.6175177.8-173-0113.4N196 V197 V198 S203N196-R200 WeakPolarHBondContact O-CB 3.48Å; N196-R200 VanDerWaalsContact O-CG 3.25Å; N196-R200 WeakPolarHBondContact O-CG 3.29Å; N196-R200 PolarHBondContact O-N 3Å; N196-R200 VanDerWaalsContact O-N 3.16Å; V197-R200 PolarHBondContact O-N 3.16Å; V197-R200 VanDerWaalsContact O-N 3.13Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 2.78Å; R200-S203 PolarHBondContact O-OG 3.37Å; R200-S203 VanDerWaalsContact O-OG 3.05Å
201E58Low60.3Low131 Ų131128.8 Ų128.861%0.61265%0.651SS**Hα-helixtrans-73.5-38.2175.3-73.7-177.3172.700111.9V197 V198 S203 K204V197-E201 PolarHBondContact O-N 2.52Å; V198-E201 PolarHBondContact O-N 3.12Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 3.37Å; E201-K204 PolarHBondContact O-N 3.39Å
202K57.5Low58.4Low161 Ų161140.7 Ų140.770%0.769%0.687SS**Hα-helixtrans-65-34.3176.5-74.1-176.7179.7-178.90112.7V198 K204V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.21Å; V198-K202 VanDerWaalsContact O-N 3.12Å; K202-K204 VanDerWaalsContact C-N 3.27Å; K202-K204 PolarHBondContact O-N 3Å
203S57.2Low57.3Low91 Ų91143.2 Ų143.264%0.63670%0.699SS**THydrogen-bonded Turntrans-72.8-15.2179.161.30000114.2L199 R200 E201L199-S203 PolarHBondContact O-N 3.29Å; R200-S203 PolarHBondContact O-OG 3.37Å; R200-S203 VanDerWaalsContact O-OG 3.05Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 3.37Å
204K56.2Low56.3Low181 Ų181143.6 Ų143.679%0.78770%0.704SS**THydrogen-bonded Turntrans-88.4-2.2-179.1-75.1-172.8176.6-175.70115.5E201 K202E201-K204 PolarHBondContact O-N 3.39Å; K202-K204 VanDerWaalsContact C-N 3.27Å; K202-K204 PolarHBondContact O-N 3Å
205K49.4Very low55.2Low195 Ų195144.6 Ų144.685%0.84871%0.711SS**SBendtrans-101.310.7-174.3-85.6-168.7176.9-177.30117.1
206Q47.9Very low54.1Low181 Ų181147.7 Ų147.785%0.84672%0.724SS**  trans-128.371.4172.8-81.1-176.9-8.700111.8
207V50.7Low53Low136 Ų136151.8 Ų151.882%0.82474%0.742SS**  trans-122.579.9150.7-173.10000105.8C209V207-C209 PolarHBondContact O-N 2.73Å
208Q48.8Very low52.1Low179 Ų179156.7 Ų156.784%0.83676%0.759SS**  trans-73.5110.8175.5-169.4161.7-7.800107.1C210Q208-C210 PolarHBondContact O-N 2.87Å
209C43.2Very low51.3Low100 Ų100162.9 Ų162.968%0.67678%0.784SS**  trans-54.2105.5176.5-78.50000110.7V207 H211V207-C209 PolarHBondContact O-N 2.73Å; C209-H211 PolarHBondContact O-N 3.06Å; C209-H211 PolarHBondContact O-ND1 3.17Å
210C53Low51.1Low135 Ų135166.7 Ų166.791%0.91280%0.798SS**  trans-64.3102.6166.5-70.10000108.8Q208Q208-C210 PolarHBondContact O-N 2.87Å
211H42.7Very low50.5Low168 Ų168165.1 Ų165.178%0.77881%0.806SS**  trans-86.8113.7164.4-74.866.1000108.1C209C209-H211 PolarHBondContact O-N 3.06Å; C209-H211 PolarHBondContact O-ND1 3.17Å
212R41.1Very low49.8Very low323 Ų323168.2 Ų168.2100%1.21982%0.824SS**  trans-175.80139.3-108.3172.9-177.2-122.50.1111

Retrieved 212 of 212 residues in 49 ms (Link to these results)

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