A0A077YW53_TRITR Loading...

Ras protein Rab 18

AlphaFold DB , UniProt , Accession A0A077YW53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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
1M36Very low34Very low246 Ų246164.5 Ų164.5100%1.21283%0.832SS**  0940-86.5-179.8-94.600107.4
2Q33.9Very low34.5Very low196 Ų196161.9 Ų161.992%0.91682%0.817SS**  trans-99.2119.8-172.6-147.2156.2-5.200108C4Q2-C4 PolarHBondContact O-N 3.1Å
3H33.4Very low35.1Very low187 Ų187158.2 Ų158.287%0.86680%0.801SS**  trans-50.6115.5177.1-88.2-98.1000111.2
4C35.8Very low36.4Very low113 Ų113153.3 Ų153.376%0.76478%0.778SS**  trans-111.288.1160.5-170.30000107.4Q2 T6Q2-C4 PolarHBondContact O-N 3.1Å; C4-T6 VanDerWaalsContact C-N 3.28Å; C4-T6 PolarHBondContact O-N 2.99Å; C4-T6 PolarHBondContact SG-OG1 3Å
5S33.9Very low37.4Very low110 Ų110148.7 Ų148.777%0.76977%0.766SS**  trans-73.682.4167.952.40000109
6T32.9Very low38.5Very low122 Ų122147.3 Ų147.375%0.74876%0.76SS**  trans-120.763.7163.9-48.80000107.8C4C4-T6 VanDerWaalsContact C-N 3.28Å; C4-T6 PolarHBondContact O-N 2.99Å; C4-T6 PolarHBondContact SG-OG1 3Å
7L31.6Very low39.9Very low146 Ų146139.5 Ų139.576%0.76472%0.722SS**  trans-102.5121.4172.2-133.577.9000107.8
8F33.1Very low42.2Very low148 Ų148133.3 Ų133.365%0.64969%0.694SS**  trans70.574.2160.5-60.9-65.5000118.4L10F8-L10 HydrophobicContact CB-CD1 4.22Å; F8-L10 HydrophobicContact CB-CG 4Å; F8-L10 HydrophobicContact CD1-CD1 3.77Å; F8-L10 HydrophobicContact CD1-CD2 3.84Å; F8-L10 HydrophobicContact CD1-CG 3.5Å; F8-L10 HydrophobicContact CE1-CD1 4.33Å; F8-L10 HydrophobicContact CE1-CD2 4.24Å; F8-L10 HydrophobicContact CE1-CG 4.29Å; F8-L10 HydrophobicContact CG-CD1 4.1Å; F8-L10 HydrophobicContact CG-CG 4.07Å; F8-L10 PolarHBondContact O-N 2.89Å
9K33.7Very low44.6Very low217 Ų217127.2 Ų127.294%0.94366%0.663SS**  trans-70.570.4130.4-84.5-175.5179178.10107.9K11K9-K11 PolarHBondContact O-N 2.97Å
10L31.9Very low46.9Very low122 Ų122121.4 Ų121.464%0.63963%0.633SS**  trans-64.6118.1155.4-73.8166000104.3F8 M12F8-L10 HydrophobicContact CB-CD1 4.22Å; F8-L10 HydrophobicContact CB-CG 4Å; F8-L10 HydrophobicContact CD1-CD1 3.77Å; F8-L10 HydrophobicContact CD1-CD2 3.84Å; F8-L10 HydrophobicContact CD1-CG 3.5Å; F8-L10 HydrophobicContact CE1-CD1 4.33Å; F8-L10 HydrophobicContact CE1-CD2 4.24Å; F8-L10 HydrophobicContact CE1-CG 4.29Å; F8-L10 HydrophobicContact CG-CD1 4.1Å; F8-L10 HydrophobicContact CG-CG 4.07Å; F8-L10 PolarHBondContact O-N 2.89Å; L10-M12 PolarHBondContact O-N 3.32Å
11K37.4Very low49.2Very low203 Ų203115.8 Ų115.888%0.88360%0.604SS**  trans-52.896.9157.3-78.7177.6172.7179.80105K9 D13K9-K11 PolarHBondContact O-N 2.97Å; K11-D13 PolarHBondContact O-N 3.14Å
12M40.9Very low52Low133 Ų133105.6 Ų105.666%0.65556%0.557SS**  trans-55125.8161.5-83.9174.815800104.7L10 D14 S17L10-M12 PolarHBondContact O-N 3.32Å; M12-D14 PolarHBondContact O-N 2.99Å; M12-S17 VanDerWaalsContact CB-OG 3.27Å; M12-S17 WeakPolarHBondContact CB-OG 3.39Å
13D41.6Very low54.9Low114 Ų11496.2 Ų96.261%0.6151%0.513SS*.  trans-48.4135.7172.3-165.1-5.1000107.7K11 S15 D16K11-D13 PolarHBondContact O-N 3.14Å; D13-S15 PolarHBondContact O-N 3.14Å; D13-D16 PolarHBondContact O-N 3.02Å
14D53.5Low57.9Low89 Ų8988.1 Ų88.148%0.47648%0.475SS..THydrogen-bonded Turntrans-62.5-12.1-170.8-138.123.3000111.2M12M12-D14 PolarHBondContact O-N 2.99Å
15S51.9Low60.8Low85 Ų8582.8 Ų82.859%0.59444%0.439SS*.THydrogen-bonded Turntrans-75.3-28.6172.564.90000115.1D13D13-S15 PolarHBondContact O-N 3.14Å
16D54.4Low63.7Low125 Ų12577.5 Ų77.567%0.66840%0.402SS*.THydrogen-bonded Turntrans-106.8-11.3-166-75.78.6000113.7D13 A18D13-D16 PolarHBondContact O-N 3.02Å; D16-A18 PolarHBondContact O-N 3.46Å
17S62.9Low66.7Low16 Ų1671.7 Ų71.711%0.11237%0.367CS..SBendtrans-75.5120.1175.3-64.20000110.1M12 V19 Y65M12-S17 VanDerWaalsContact CB-OG 3.27Å; M12-S17 WeakPolarHBondContact CB-OG 3.39Å; S17-V19 PolarHBondContact O-N 3.27Å; S17-Y65 WeakPolarHBondContact CB-OH 3.47Å; S17-Y65 PolarHBondContact OG-OH 3.24Å
18A81Confident69.6Low28 Ų2864.8 Ų64.823%0.23133%0.33CS..  trans-52.1115.517500000110.1D16 L20 Y197 L200D16-A18 PolarHBondContact O-N 3.46Å; A18-L20 PolarHBondContact O-N 3.43Å; A18-Y197 HydrophobicContact CB-CD2 3.65Å; A18-Y197 HydrophobicContact CB-CE2 4.41Å; A18-Y197 HydrophobicContact CB-CG 4.46Å; A18-L200 HydrophobicContact CB-CB 4.3Å; A18-L200 HydrophobicContact CB-CD1 3.46Å; A18-L200 VanDerWaalsContact CB-CD1 3.46Å
19V87.7Confident72.6Confident17 Ų1757.7 Ų57.710%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-72113.6177.1174.40000108.1S17 T21 C70 R72 D194 Y197S17-V19 PolarHBondContact O-N 3.27Å; V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 VanDerWaalsContact CG1-O 3.29Å; V19-T21 WeakPolarHBondContact CG1-O 3.41Å; V19-T21 PolarHBondContact O-N 3.44Å; V19-C70 CarbonylContact C-O 3.6Å; V19-C70 WeakPolarHBondContact CA-O 3.44Å; V19-R72 HydrophobicContact CG1-CB 3.66Å; V19-D194 WeakPolarHBondContact O-CB 3.39Å; V19-Y197 WeakPolarHBondContact O-CB 3.38Å
20L90.8Very high75.4Confident10 Ų1048.5 Ų48.55%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-55.9-50176.4170.866.2000111A18 N69 C70 L185 W191 S193 D194 Y197A18-L20 PolarHBondContact O-N 3.43Å; L20-N69 HydrophobicContact CB-CB 4.01Å; L20-N69 HydrophobicContact CD2-CB 3.7Å; L20-N69 HydrophobicContact CG-CB 4.45Å; L20-C70 WeakPolarHBondContact CB-O 3.46Å; L20-C70 PolarHBondContact N-O 3.11Å; L20-L185 HydrophobicContact CD2-CD2 4.36Å; L20-W191 HydrophobicContact CD1-CH2 4.04Å; L20-W191 HydrophobicContact CD1-CZ3 3.73Å; L20-W191 HydrophobicContact CD2-CH2 4.01Å; L20-W191 HydrophobicContact CD2-CZ3 4.02Å; L20-W191 HydrophobicContact CG-CH2 4.23Å; L20-W191 HydrophobicContact CG-CZ3 3.79Å; L20-S193 CarbonylContact O-C 3.6Å; L20-S193 WeakPolarHBondContact O-CA 3.37Å; L20-D194 PolarHBondContact O-N 3.15Å; L20-Y197 HydrophobicContact CB-CD2 4.14Å; L20-Y197 HydrophobicContact CB-CE2 4.03Å; L20-Y197 HydrophobicContact CD1-CD1 3.7Å; L20-Y197 HydrophobicContact CD1-CD2 4.44Å; L20-Y197 HydrophobicContact CD1-CE1 3.28Å; L20-Y197 HydrophobicContact CD1-CE2 4.12Å; L20-Y197 HydrophobicContact CD1-CG 4.26Å
21T94.4Very high78.3Confident5 Ų545.6 Ų45.63%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-160164.1-177.3-169.90000111.5V19 L23 V71 R72 L185 W191 E192V19-T21 VanDerWaalsContact C-N 3.35Å; V19-T21 VanDerWaalsContact CG1-O 3.29Å; V19-T21 WeakPolarHBondContact CG1-O 3.41Å; V19-T21 PolarHBondContact O-N 3.44Å; T21-L23 HydrophobicContact CG2-CD2 3.85Å; T21-L23 HydrophobicContact CG2-CG 4.09Å; T21-V71 HydrophobicContact CG2-CG1 4.01Å; T21-R72 PolarHBondContact O-N 2.99Å; T21-L185 HydrophobicContact CG2-CD2 3.98Å; T21-W191 HydrophobicContact CG2-CB 4.41Å; T21-W191 HydrophobicContact CG2-CD2 4.32Å; T21-W191 HydrophobicContact CG2-CE3 3.79Å; T21-W191 HydrophobicContact CG2-CZ3 4.44Å; T21-E192 WeakPolarHBondContact CB-O 3.47Å; T21-E192 PolarHBondContact OG1-O 3.29Å
22S94.6Very high80.9Confident31 Ų3138 Ų3822%0.21723%0.23CC..EExtended strand (participates in β ladder)trans-115.3119.8171.1-173.80000112.7R72 R74S22-R72 CarbonylContact C-O 3.52Å; S22-R72 WeakPolarHBondContact CA-O 3.31Å; S22-R72 PolarHBondContact OG-O 3.45Å; S22-R72 VanDerWaalsContact OG-O 3.11Å; S22-R74 PolarHBondContact OG-NE 3.15Å
23L96.1Very high83.5Confident0 Ų031.7 Ų31.70%020%0.199CC..EExtended strand (participates in β ladder)trans-107.1134.9-177.2-53.9-179000111T21 I25 V71 R72 L73 R74 V181 I184 W191T21-L23 HydrophobicContact CG2-CD2 3.85Å; T21-L23 HydrophobicContact CG2-CG 4.09Å; L23-I25 HydrophobicContact CB-CD1 4.36Å; L23-V71 HydrophobicContact CD1-CG1 3.73Å; L23-V71 HydrophobicContact CG-CG1 3.89Å; L23-R72 PolarHBondContact N-O 3.05Å; L23-L73 HydrophobicContact CB-CD2 4.11Å; L23-L73 HydrophobicContact CD1-CD2 4.27Å; L23-L73 CarbonylContact O-C 3.39Å; L23-R74 PolarHBondContact O-N 3.45Å; L23-V181 HydrophobicContact CD1-CG1 3.93Å; L23-V181 HydrophobicContact CD1-CG2 4.42Å; L23-I184 HydrophobicContact CD1-CB 4.18Å; L23-I184 HydrophobicContact CD1-CD1 4.27Å; L23-I184 HydrophobicContact CD1-CG2 3.8Å; L23-I184 HydrophobicContact CD2-CG2 3.84Å; L23-I184 HydrophobicContact CG-CG2 4.42Å; L23-W191 HydrophobicContact CD2-CB 3.66Å
24K95.3Very high86.1Confident17 Ų1726.8 Ų26.87%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-92.2120.5173-176.3179.4173.8-174.90109.7R74 S90 F91 R93 Q96 G97K24-R74 WeakPolarHBondContact CA-O 3.5Å; K24-S90 PolarHBondContact NZ-O 3.24Å; K24-F91 WeakPolarHBondContact CE-O 3.22Å; K24-F91 PolarHBondContact NZ-O 2.72Å; K24-R93 PolarHBondContact NZ-O 3.48Å; K24-Q96 VanDerWaalsContact CB-OE1 3.26Å; K24-Q96 PolarHBondContact O-N 2.92Å; K24-G97 PolarHBondContact O-N 3.4Å
25I96.7Very high88.1Confident0 Ų023 Ų230%015%0.154CC..EExtended strand (participates in β ladder)trans-117.6136.2179.8-49.2-60.5000109.3L23 R74 I75 W76 G97 I99 L180 I184L23-I25 HydrophobicContact CB-CD1 4.36Å; I25-R74 PolarHBondContact N-O 2.81Å; I25-I75 HydrophobicContact CB-CG1 4.29Å; I25-I75 WeakPolarHBondContact O-CA 3.29Å; I25-W76 PolarHBondContact O-N 3.5Å; I25-G97 CarbonylContact C-O 3.5Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.25Å; I25-I99 HydrophobicContact CG2-CD1 3.93Å; I25-I99 HydrophobicContact CG2-CG1 4.08Å; I25-L180 HydrophobicContact CD1-CD2 4Å; I25-L180 HydrophobicContact CG2-CD2 3.73Å; I25-I184 HydrophobicContact CD1-CD1 3.68Å
26L95.1Very high90.2Very high0 Ų019.9 Ų19.90%013%0.132CC..EExtended strand (participates in β ladder)trans-121.1128.3179.5-171.269.1000110.5I28 W76 T78 F91 Y92 G97 I98 I99L26-I28 HydrophobicContact CD2-CG2 3.74Å; L26-I28 HydrophobicContact CG-CG2 3.79Å; L26-W76 HydrophobicContact CD1-CB 3.54Å; L26-W76 HydrophobicContact CD1-CG 4.42Å; L26-T78 HydrophobicContact CD1-CG2 3.42Å; L26-T78 VanDerWaalsContact CD1-CG2 3.42Å; L26-T78 HydrophobicContact CG-CG2 4.12Å; L26-F91 HydrophobicContact CD1-CB 4.48Å; L26-Y92 HydrophobicContact CD2-CD1 3.58Å; L26-Y92 HydrophobicContact CD2-CE1 3.63Å; L26-Y92 HydrophobicContact CD2-CG 4.14Å; L26-G97 PolarHBondContact N-O 2.96Å; L26-I98 HydrophobicContact CB-CD1 3.85Å; L26-I98 HydrophobicContact CD2-CD1 4.17Å; L26-I98 WeakPolarHBondContact O-CA 3.42Å; L26-I99 PolarHBondContact O-N 3.25Å
27L95.8Very high92.2Very high0 Ų015 Ų150%011%0.107CC..EExtended strand (participates in β ladder)trans-96.9125.9170.6-75.771.7000109.4K35 L38 F39 I75 W76 T78 I99 F177L27-K35 HydrophobicContact CB-CB 4.42Å; L27-K35 HydrophobicContact CD2-CB 4.37Å; L27-K35 WeakPolarHBondContact CD2-O 3.43Å; L27-L38 HydrophobicContact CD2-CB 4.48Å; L27-F39 HydrophobicContact CD2-CB 4.07Å; L27-I75 HydrophobicContact CD1-CG2 3.39Å; L27-W76 PolarHBondContact N-O 3.41Å; L27-T78 WeakPolarHBondContact O-CB 3.3Å; L27-T78 WeakPolarHBondContact O-CG2 3.28Å; L27-T78 PolarHBondContact O-OG1 2.94Å; L27-I99 WeakPolarHBondContact CA-O 3.27Å; L27-I99 HydrophobicContact CD1-CD1 4.12Å; L27-I99 HydrophobicContact CG-CB 4.13Å; L27-I99 HydrophobicContact CG-CD1 4.3Å; L27-I99 HydrophobicContact CG-CG2 4.46Å; L27-F177 HydrophobicContact CD1-CE1 4.16Å; L27-F177 HydrophobicContact CD1-CZ 4.29Å; L27-F177 HydrophobicContact CD2-CZ 4.31Å
28I94Very high93.9Very high0 Ų014.4 Ų14.40%010%0.103CC..EExtended strand (participates in β ladder)trans-135.7162.1179.461.8179.1000111.5L26 K35 T78 Y92 I98 I99 F100 V101 W116 V120L26-I28 HydrophobicContact CD2-CG2 3.74Å; L26-I28 HydrophobicContact CG-CG2 3.79Å; I28-K35 VanDerWaalsContact C-CD 3.45Å; I28-T78 HydrophobicContact CG2-CG2 4.25Å; I28-Y92 HydrophobicContact CD1-CE1 4.37Å; I28-Y92 HydrophobicContact CG2-CE1 4.14Å; I28-I98 HydrophobicContact CD1-CG2 3.59Å; I28-I98 HydrophobicContact CG1-CG2 3.93Å; I28-I99 PolarHBondContact N-O 3.07Å; I28-F100 HydrophobicContact CD1-CD1 3.67Å; I28-F100 HydrophobicContact CD1-CE1 3.37Å; I28-F100 HydrophobicContact CD1-CE2 4.48Å; I28-F100 HydrophobicContact CD1-CG 4.37Å; I28-F100 HydrophobicContact CD1-CZ 3.82Å; I28-F100 HydrophobicContact CG1-CD1 3.85Å; I28-F100 HydrophobicContact CG1-CE1 4.09Å; I28-F100 HydrophobicContact CG1-CG 4.28Å; I28-V101 PolarHBondContact O-N 2.9Å; I28-W116 HydrophobicContact CB-CE3 4.08Å; I28-W116 HydrophobicContact CB-CZ3 4.4Å; I28-W116 HydrophobicContact CD1-CB 4.24Å; I28-V120 HydrophobicContact CD1-CG2 3.27Å
29G94.5Very high94.6Very high0 Ų013.1 Ų13.10%09%0.092CC..  trans138.4168.5-172.200000111.7K35 G80 W116G29-K35 WeakPolarHBondContact O-CE 3.29Å; G29-K35 PolarHBondContact O-NZ 3.12Å; G29-G80 WeakPolarHBondContact O-CA 3.39Å; G29-W116 VanDerWaalsContact CA-CE2 3.45Å; G29-W116 WeakPolarHBondContact O-CZ2 3.24Å
30D93.5Very high95Very high24 Ų2413.7 Ų13.713%0.12810%0.095CC..  trans-58.7163-174.7-77.58.8000113.8V33 K35 S109 N112 W116D30-V33 HydrophobicContact CB-CG1 3.8Å; D30-V33 VanDerWaalsContact O-CG2 3.24Å; D30-V33 WeakPolarHBondContact O-CG2 3.38Å; D30-K35 PolarHBondContact O-NZ 3.16Å; D30-S109 WeakPolarHBondContact OD2-CA 3.46Å; D30-N112 PolarHBondContact OD2-ND2 3.04Å; D30-W116 PolarHBondContact OD1-NE1 3.47Å
31S92Very high95.3Very high61 Ų6115.2 Ų15.243%0.42710%0.1SC..THydrogen-bonded Turntrans-62.3138.3172.2-168.60000110.9V33 G80S31-V33 VanDerWaalsContact C-N 3.31Å; S31-V33 PolarHBondContact O-N 3.48Å; S31-G80 PolarHBondContact N-O 3.47Å
32G92.6Very high95.5Very high43 Ų4315.5 Ų15.544%0.44310%0.101SC..THydrogen-bonded Turntrans76.26.517500000116.3G34 K137G32-G34 PolarHBondContact O-N 3.33Å; G32-K137 PolarHBondContact O-NZ 3.22Å
33V95.9Very high95.5Very high1 Ų114.7 Ų14.71%0.0069%0.094CC..SBendtrans-74.3-12.6173.6-56.50000113.6D30 S31 K35 V101 D103 N136D30-V33 HydrophobicContact CB-CG1 3.8Å; D30-V33 VanDerWaalsContact O-CG2 3.24Å; D30-V33 WeakPolarHBondContact O-CG2 3.38Å; S31-V33 VanDerWaalsContact C-N 3.31Å; S31-V33 PolarHBondContact O-N 3.48Å; V33-K35 HydrophobicContact CG2-CD 4.42Å; V33-K35 HydrophobicContact CG2-CG 3.7Å; V33-V101 HydrophobicContact CB-CG1 4.24Å; V33-V101 HydrophobicContact CG2-CB 3.86Å; V33-V101 HydrophobicContact CG2-CG1 3.73Å; V33-V101 WeakPolarHBondContact CG2-O 3.4Å; V33-D103 HydrophobicContact CB-CB 4.22Å; V33-D103 HydrophobicContact CG1-CB 4.16Å; V33-N136 PolarHBondContact O-ND2 3.49Å
34G96.4Very high95.4Very high10 Ų1018.4 Ų18.410%0.10311%0.114CC..SBendtrans98.624.5176.300000115.6G32 S36 C37 L38G32-G34 PolarHBondContact O-N 3.33Å; G34-S36 PolarHBondContact O-N 3.21Å; G34-C37 WeakPolarHBondContact O-CB 3.41Å; G34-C37 PolarHBondContact O-N 2.63Å; G34-L38 PolarHBondContact O-N 2.97Å
35K95.4Very high95.5Very high9 Ų922.7 Ų22.74%0.03914%0.138CC..Hα-helixtrans-53.3-52.5174.7-58.9-172.8-59.7-71.70112.4L27 I28 G29 D30 V33 C37 L38 F39 D77 T78 G80 V101L27-K35 HydrophobicContact CB-CB 4.42Å; L27-K35 HydrophobicContact CD2-CB 4.37Å; L27-K35 WeakPolarHBondContact CD2-O 3.43Å; I28-K35 VanDerWaalsContact C-CD 3.45Å; G29-K35 WeakPolarHBondContact O-CE 3.29Å; G29-K35 PolarHBondContact O-NZ 3.12Å; D30-K35 PolarHBondContact O-NZ 3.16Å; V33-K35 HydrophobicContact CG2-CD 4.42Å; V33-K35 HydrophobicContact CG2-CG 3.7Å; K35-C37 VanDerWaalsContact C-N 3.3Å; K35-C37 PolarHBondContact O-N 3.07Å; K35-L38 WeakPolarHBondContact O-CB 3.45Å; K35-L38 PolarHBondContact O-N 3.5Å; K35-L38 VanDerWaalsContact O-N 3.16Å; K35-F39 WeakPolarHBondContact O-CB 3.33Å; K35-F39 PolarHBondContact O-N 3.11Å; K35-D77 VanDerWaalsContact CB-OD1 3.26Å; K35-D77 WeakPolarHBondContact CB-OD1 3.48Å; K35-T78 WeakPolarHBondContact CE-O 3.48Å; K35-G80 VanDerWaalsContact NZ-CA 3.32Å; K35-V101 HydrophobicContact CG-CB 4Å; K35-V101 HydrophobicContact CG-CG2 4.04Å
36S95.1Very high95.4Very high20 Ų2026.1 Ų26.114%0.1416%0.159CC..Hα-helixtrans-63.3-35.8178.3-44.60000112.6G34 F39 L40 T54 D77G34-S36 PolarHBondContact O-N 3.21Å; S36-F39 PolarHBondContact O-N 2.77Å; S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 3.44Å; S36-T54 PolarHBondContact OG-OG1 2.95Å; S36-D77 WeakPolarHBondContact CA-OD2 3.44Å; S36-D77 WeakPolarHBondContact CB-OD2 3.33Å; S36-D77 PolarHBondContact N-OD1 2.95Å; S36-D77 PolarHBondContact OG-OD2 3.19Å
37C96.9Very high95.4Very high22 Ų2229.1 Ų29.115%0.14917%0.172CC..Hα-helixtrans-65.9-43.7174.4-53.50000111.3G34 K35 R41 F47 A167G34-C37 WeakPolarHBondContact O-CB 3.41Å; G34-C37 PolarHBondContact O-N 2.63Å; K35-C37 VanDerWaalsContact C-N 3.3Å; K35-C37 PolarHBondContact O-N 3.07Å; C37-R41 WeakPolarHBondContact O-CB 3.05Å; C37-R41 PolarHBondContact O-N 3.42Å; C37-F47 HydrophobicContact CB-CD2 4.08Å; C37-F47 HydrophobicContact CB-CE2 4.04Å; C37-A167 HydrophobicContact CB-CB 3.6Å
38L97.9Very high95.2Very high4 Ų431.4 Ų31.42%0.02119%0.188CC..Hα-helixtrans-63.8-44174.8-76.2167.9000111.3L27 G34 K35 R41 F42 V101 V134 N136 T165 A167 V173L27-L38 HydrophobicContact CD2-CB 4.48Å; G34-L38 PolarHBondContact O-N 2.97Å; K35-L38 WeakPolarHBondContact O-CB 3.45Å; K35-L38 PolarHBondContact O-N 3.5Å; K35-L38 VanDerWaalsContact O-N 3.16Å; L38-R41 PolarHBondContact O-N 3.42Å; L38-F42 VanDerWaalsContact O-CB 3.27Å; L38-F42 WeakPolarHBondContact O-CB 3.13Å; L38-F42 PolarHBondContact O-N 3.33Å; L38-V101 HydrophobicContact CD1-CG1 3.72Å; L38-V101 HydrophobicContact CD1-CG2 3.99Å; L38-V134 HydrophobicContact CD1-CG1 4.05Å; L38-N136 HydrophobicContact CD1-CB 4.15Å; L38-T165 WeakPolarHBondContact CD2-OG1 3.17Å; L38-A167 HydrophobicContact CD2-CB 4Å; L38-A167 HydrophobicContact CG-CB 4.11Å; L38-V173 HydrophobicContact CD2-CB 4.47Å; L38-V173 HydrophobicContact CD2-CG1 4.16Å; L38-V173 HydrophobicContact CD2-CG2 3.75Å
39F96.3Very high94.9Very high1 Ų137.7 Ų37.70%0.00422%0.217CC..Hα-helixtrans-58-53.9177170.1-115000111.8L27 K35 S36 F42 V43 D58 K60 I75 D77L27-F39 HydrophobicContact CD2-CB 4.07Å; K35-F39 WeakPolarHBondContact O-CB 3.33Å; K35-F39 PolarHBondContact O-N 3.11Å; S36-F39 PolarHBondContact O-N 2.77Å; F39-F42 PolarHBondContact O-N 2.84Å; F39-V43 HydrophobicContact CD2-CG2 3.93Å; F39-V43 HydrophobicContact CE2-CG2 3.87Å; F39-V43 WeakPolarHBondContact O-CB 3.18Å; F39-V43 VanDerWaalsContact O-CG2 3.28Å; F39-V43 WeakPolarHBondContact O-CG2 3.29Å; F39-V43 PolarHBondContact O-N 3.33Å; F39-D58 HydrophobicContact CE1-CB 4.08Å; F39-K60 HydrophobicContact CE1-CD 4.1Å; F39-K60 HydrophobicContact CE1-CG 4.25Å; F39-K60 HydrophobicContact CE2-CB 3.89Å; F39-K60 HydrophobicContact CE2-CG 4.4Å; F39-K60 HydrophobicContact CZ-CB 3.55Å; F39-K60 HydrophobicContact CZ-CD 3.8Å; F39-K60 HydrophobicContact CZ-CG 3.57Å; F39-I75 HydrophobicContact CD2-CB 4.26Å; F39-I75 HydrophobicContact CD2-CG2 3.7Å; F39-I75 HydrophobicContact CE2-CB 3.97Å; F39-I75 HydrophobicContact CE2-CG2 3.89Å; F39-D77 HydrophobicContact CB-CB 4.21Å; F39-D77 HydrophobicContact CD1-CB 3.91Å; F39-D77 HydrophobicContact CD2-CB 4.36Å; F39-D77 HydrophobicContact CE1-CB 4.3Å; F39-D77 HydrophobicContact CG-CB 3.92Å
40L95.6Very high94.5Very high29 Ų2944.8 Ų44.815%0.15226%0.255CS..Hα-helixtrans-68.2-38.1179.7-68.6173.2000112.2S36 F42 V43 D44 D45 V46 L51S36-L40 WeakPolarHBondContact O-CB 3.39Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 3.44Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.15Å; L40-V43 PolarHBondContact O-N 3.22Å; L40-D44 PolarHBondContact O-N 2.83Å; L40-D45 PolarHBondContact O-N 2.84Å; L40-V46 CarbonylContact C-O 3.58Å; L40-V46 PolarHBondContact O-N 3.42Å; L40-L51 HydrophobicContact CD1-CD1 3.83Å; L40-L51 HydrophobicContact CD1-CD2 3.61Å; L40-L51 HydrophobicContact CD1-CG 4.36Å
41R97.7Very high94.1Very high42 Ų4246.4 Ų46.416%0.15826%0.264CS..Hα-helixtrans-61.9-42.2175176.357.774.7-168.86.3111C37 L38 D45 V46 A167 K168 V173C37-R41 WeakPolarHBondContact O-CB 3.05Å; C37-R41 PolarHBondContact O-N 3.42Å; L38-R41 PolarHBondContact O-N 3.42Å; R41-D45 WeakPolarHBondContact CD-OD1 3.44Å; R41-D45 IonicContact CZ-OD1 2.7Å; R41-D45 IonicContact NE-OD1 2.71Å; R41-D45 PolarHBondContact NH1-O 3.42Å; R41-D45 IonicContact NH1-OD1 2.69Å; R41-D45 PolarHBondContact NH1-OD1 3.04Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.38Å; R41-D45 PolarHBondContact O-N 3.45Å; R41-V46 VanDerWaalsContact CA-O 3.3Å; R41-V46 WeakPolarHBondContact CA-O 3.41Å; R41-V46 PolarHBondContact N-O 3.08Å; R41-V46 VanDerWaalsContact N-O 3.1Å; R41-A167 PolarHBondContact NE-O 3.19Å; R41-K168 PolarHBondContact NH2-O 3.15Å; R41-V173 HydrophobicContact CB-CG1 4.3Å; R41-V173 HydrophobicContact CG-CB 4.2Å; R41-V173 HydrophobicContact CG-CG1 3.92Å; R41-V173 HydrophobicContact CG-CG2 4.03Å
42F98Very high93.7Very high12 Ų1248.7 Ų48.75%0.05328%0.277CS..Hα-helixtrans-71.4-45.4178.3179-107.8000112.5L38 F39 L40 K62 I64 L73 I75 V173 F177L38-F42 VanDerWaalsContact O-CB 3.27Å; L38-F42 WeakPolarHBondContact O-CB 3.13Å; L38-F42 PolarHBondContact O-N 3.33Å; F39-F42 PolarHBondContact O-N 2.84Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.15Å; F42-K62 HydrophobicContact CD1-CD 3.97Å; F42-K62 HydrophobicContact CE1-CD 3.5Å; F42-K62 HydrophobicContact CE2-CD 4.5Å; F42-K62 HydrophobicContact CZ-CD 3.82Å; F42-K62 WeakPolarHBondContact O-CE 3.39Å; F42-K62 PolarHBondContact O-NZ 3.45Å; F42-I64 HydrophobicContact CZ-CG2 3.92Å; F42-L73 HydrophobicContact CE1-CD1 3.9Å; F42-L73 HydrophobicContact CZ-CD1 3.97Å; F42-I75 HydrophobicContact CD1-CD1 3.72Å; F42-I75 HydrophobicContact CE1-CD1 3.62Å; F42-V173 HydrophobicContact CB-CG1 3.96Å; F42-F177 HydrophobicContact CB-CD2 3.95Å; F42-F177 HydrophobicContact CB-CE2 3.64Å; F42-F177 HydrophobicContact CB-CZ 3.96Å; F42-F177 HydrophobicContact CD1-CB 4.41Å; F42-F177 AromaticContact CD1-CD1 3.64Å; F42-F177 HydrophobicContact CD1-CD1 3.64Å; F42-F177 HydrophobicContact CD1-CD2 4.09Å; F42-F177 AromaticContact CD1-CE1 3.8Å; F42-F177 HydrophobicContact CD1-CE1 3.8Å; F42-F177 HydrophobicContact CD1-CE2 4.23Å; F42-F177 AromaticContact CD1-CG 3.8Å; F42-F177 HydrophobicContact CD1-CG 3.8Å; F42-F177 HydrophobicContact CD1-CZ 4.08Å; F42-F177 HydrophobicContact CD2-CB 3.85Å; F42-F177 HydrophobicContact CD2-CD1 4.4Å; F42-F177 AromaticContact CD2-CD2 3.59Å; F42-F177 HydrophobicContact CD2-CD2 3.59Å; F42-F177 HydrophobicContact CD2-CE2 4.2Å; F42-F177 AromaticContact CD2-CG 3.7Å; F42-F177 HydrophobicContact CD2-CG 3.7Å; F42-F177 HydrophobicContact CE1-CB 4.02Å; F42-F177 AromaticContact CE1-CD1 3.66Å; F42-F177 HydrophobicContact CE1-CD1 3.66Å; F42-F177 HydrophobicContact CE1-CE1 4.23Å; F42-F177 AromaticContact CE1-CG 3.83Å; F42-F177 HydrophobicContact CE1-CG 3.83Å; F42-F177 HydrophobicContact CE2-CB 3.4Å; F42-F177 HydrophobicContact CE2-CD1 4.43Å; F42-F177 HydrophobicContact CE2-CD2 4.09Å; F42-F177 AromaticContact CE2-CG 3.75Å; F42-F177 HydrophobicContact CE2-CG 3.75Å; F42-F177 HydrophobicContact CG-CB 4.32Å; F42-F177 HydrophobicContact CG-CD1 4.02Å; F42-F177 AromaticContact CG-CD2 3.58Å; F42-F177 HydrophobicContact CG-CD2 3.58Å; F42-F177 HydrophobicContact CG-CE1 4.17Å; F42-F177 AromaticContact CG-CE2 3.76Å; F42-F177 HydrophobicContact CG-CE2 3.76Å; F42-F177 AromaticContact CG-CG 3.72Å; F42-F177 HydrophobicContact CG-CG 3.72Å; F42-F177 HydrophobicContact CG-CZ 4.05Å; F42-F177 HydrophobicContact CZ-CB 3.48Å; F42-F177 VanDerWaalsContact CZ-CB 3.48Å; F42-F177 HydrophobicContact CZ-CD1 4.06Å; F42-F177 AromaticContact CZ-CG 3.8Å; F42-F177 HydrophobicContact CZ-CG 3.8Å
43V95.5Very high93.1Very high13 Ų1349.6 Ų49.68%0.07928%0.28CS..Hα-helixtrans-77.8-48.2-172-179.40000112.1F39 L40 K60 K62 I75F39-V43 HydrophobicContact CD2-CG2 3.93Å; F39-V43 HydrophobicContact CE2-CG2 3.87Å; F39-V43 WeakPolarHBondContact O-CB 3.18Å; F39-V43 VanDerWaalsContact O-CG2 3.28Å; F39-V43 WeakPolarHBondContact O-CG2 3.29Å; F39-V43 PolarHBondContact O-N 3.33Å; L40-V43 PolarHBondContact O-N 3.22Å; V43-K60 HydrophobicContact CB-CD 4.36Å; V43-K60 HydrophobicContact CG1-CB 3.95Å; V43-K60 HydrophobicContact CG1-CD 3.69Å; V43-K60 HydrophobicContact CG1-CG 4.45Å; V43-K60 HydrophobicContact CG2-CB 4.45Å; V43-K62 PolarHBondContact O-NZ 2.75Å; V43-I75 HydrophobicContact CG2-CD1 4.04Å
44D94.4Very high92.1Very high78 Ų7851.1 Ų51.142%0.41729%0.29SS..Hα-helixtrans-116.2-1.5-170.1-62.8-33.7000113.7L40 V46 K60L40-D44 PolarHBondContact O-N 2.83Å; D44-V46 HydrophobicContact CB-CB 4.4Å; D44-V46 HydrophobicContact CB-CG2 4Å; D44-V46 PolarHBondContact O-N 3.11Å; D44-K60 IonicContact OD1-NZ 2.8Å; D44-K60 IonicContact OD2-NZ 2.83Å; D44-K60 PolarHBondContact OD2-NZ 2.92Å
45D95.8Very high90.9Very high107 Ų10757.1 Ų57.157%0.57232%0.318SS*.SBendtrans5638.1-171.1-163.424.3000113.2L40 R41L40-D45 PolarHBondContact O-N 2.84Å; R41-D45 WeakPolarHBondContact CD-OD1 3.44Å; R41-D45 IonicContact CZ-OD1 2.7Å; R41-D45 IonicContact NE-OD1 2.71Å; R41-D45 PolarHBondContact NH1-O 3.42Å; R41-D45 IonicContact NH1-OD1 2.69Å; R41-D45 PolarHBondContact NH1-OD1 3.04Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.38Å; R41-D45 PolarHBondContact O-N 3.45Å
46V94.7Very high90Very high73 Ų7357.9 Ų57.944%0.44233%0.329SS..  trans-114.9140.1179.8175.10000110.6L40 R41 D44L40-V46 CarbonylContact C-O 3.58Å; L40-V46 PolarHBondContact O-N 3.42Å; R41-V46 VanDerWaalsContact CA-O 3.3Å; R41-V46 WeakPolarHBondContact CA-O 3.41Å; R41-V46 PolarHBondContact N-O 3.08Å; R41-V46 VanDerWaalsContact N-O 3.1Å; D44-V46 HydrophobicContact CB-CB 4.4Å; D44-V46 HydrophobicContact CB-CG2 4Å; D44-V46 PolarHBondContact O-N 3.11Å
47F95.8Very high89.3Confident62 Ų6259.3 Ų59.327%0.27233%0.334SS..  trans-132.6141.8169.6175.5-98.5000110.3C37 E49 A167 K168C37-F47 HydrophobicContact CB-CD2 4.08Å; C37-F47 HydrophobicContact CB-CE2 4.04Å; F47-E49 HydrophobicContact CE1-CG 3.45Å; F47-E49 VanDerWaalsContact CE1-CG 3.45Å; F47-E49 HydrophobicContact CZ-CG 3.77Å; F47-A167 HydrophobicContact CD2-CB 4.12Å; F47-A167 WeakPolarHBondContact CD2-O 3.21Å; F47-A167 HydrophobicContact CE2-CB 4.21Å; F47-K168 HydrophobicContact CD1-CB 4.43Å; F47-K168 HydrophobicContact CD1-CG 4.26Å; F47-K168 HydrophobicContact CD2-CB 4.43Å; F47-K168 HydrophobicContact CE1-CB 3.88Å; F47-K168 HydrophobicContact CE1-CD 4.15Å; F47-K168 HydrophobicContact CE1-CG 3.66Å; F47-K168 HydrophobicContact CE2-CB 3.89Å; F47-K168 HydrophobicContact CZ-CB 3.59Å; F47-K168 HydrophobicContact CZ-CD 4.22Å; F47-K168 HydrophobicContact CZ-CG 3.86Å
48S91.1Very high88.8Confident49 Ų4961.5 Ų61.534%0.34334%0.344SS..  trans-143.8131.7173.6173.30000108.5D50 L51S48-D50 VanDerWaalsContact C-N 3.31Å; S48-D50 PolarHBondContact OG-N 2.95Å; S48-L51 WeakPolarHBondContact O-CD1 3.07Å
49E88.1Confident88.4Confident132 Ų13265.7 Ų65.762%0.61736%0.36SS*.THydrogen-bonded Turntrans-73.5-28.6175.3-63.4-171.5171.200111.4F47 L51 K168F47-E49 HydrophobicContact CE1-CG 3.45Å; F47-E49 VanDerWaalsContact CE1-CG 3.45Å; F47-E49 HydrophobicContact CZ-CG 3.77Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.11Å; E49-K168 VanDerWaalsContact OE1-CE 3.26Å; E49-K168 WeakPolarHBondContact OE1-CE 3.4Å; E49-K168 IonicContact OE1-NZ 3.87Å; E49-K168 PolarHBondContact OE1-NZ 2.94Å
50D86.2Confident88.3Confident148 Ų14868.8 Ų68.879%0.79137%0.374SS*.THydrogen-bonded Turntrans-94.524.6-173.8-57-52.2000113.3S48 P52S48-D50 VanDerWaalsContact C-N 3.31Å; S48-D50 PolarHBondContact OG-N 2.95Å; D50-P52 WeakPolarHBondContact O-CD 3.47Å
51L85Confident88.2Confident59 Ų5970.3 Ų70.331%0.30938%0.384SS..PPolyproline II helixtrans-60.6120.9175.2-90.6152.6000109.6L40 S48 E49L40-L51 HydrophobicContact CD1-CD1 3.83Å; L40-L51 HydrophobicContact CD1-CD2 3.61Å; L40-L51 HydrophobicContact CD1-CG 4.36Å; S48-L51 WeakPolarHBondContact O-CD1 3.07Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.11Å
52P82.5Confident88.1Confident108 Ų10871.1 Ų71.170%0.70139%0.389SS*.PPolyproline II helixtrans-62.5153.8176.327.4-34.1000109.8D50 T54D50-P52 WeakPolarHBondContact O-CD 3.47Å; P52-T54 PolarHBondContact O-N 2.75Å
53A81.8Confident87.9Confident63 Ų6371.9 Ų71.952%0.52140%0.395SS..PPolyproline II helixtrans-56.4127176.300000110.3I55 M81A53-I55 PolarHBondContact O-N 2.78Å; A53-I55 VanDerWaalsContact O-N 3.11Å; A53-M81 HydrophobicContact CB-CE 4.22Å
54T74Confident87.8Confident33 Ų3371.8 Ų71.820%0.20239%0.394CS..PPolyproline II helixtrans-58.2117.6178.1-46.10000109.7S36 P52 A79S36-T54 PolarHBondContact OG-OG1 2.95Å; P52-T54 PolarHBondContact O-N 2.75Å; T54-A79 VanDerWaalsContact O-CB 3.28Å; T54-A79 WeakPolarHBondContact O-CB 3.26Å
55I71.4Confident87.7Confident135 Ų13572.7 Ų72.769%0.69239%0.393SS*.PPolyproline II helixtrans-95120.4172.2-61.1175.1000106.6A53 M57 F84A53-I55 PolarHBondContact O-N 2.78Å; A53-I55 VanDerWaalsContact O-N 3.11Å; I55-M57 PolarHBondContact O-N 3.04Å; I55-F84 HydrophobicContact CG2-CE1 4.34Å; I55-F84 HydrophobicContact CG2-CZ 4.13Å
56G75.3Confident87.3Confident26 Ų2668.3 Ų68.327%0.26837%0.369SS..SBendtrans71.2-118.1-172.500000110.9A79G56-A79 WeakPolarHBondContact O-CB 3.39Å; G56-A79 PolarHBondContact O-N 3.22Å
57M81.4Confident86.9Confident49 Ų4972.6 Ų72.624%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-153.8153.4-175.1-58.2-166.4-49.400111.2I55 W76 D77 T78 T88 F91I55-M57 PolarHBondContact O-N 3.04Å; M57-W76 HydrophobicContact CE-CE3 3.43Å; M57-W76 VanDerWaalsContact CE-CE3 3.43Å; M57-W76 HydrophobicContact CE-CZ3 3.54Å; M57-W76 HydrophobicContact SD-CE3 4.46Å; M57-D77 CarbonylContact C-O 3.44Å; M57-D77 WeakPolarHBondContact CA-O 3.38Å; M57-D77 VanDerWaalsContact CB-O 3.25Å; M57-D77 WeakPolarHBondContact CB-O 3.43Å; M57-T78 HydrophobicContact SD-CG2 3.86Å; M57-T88 HydrophobicContact SD-CG2 3.82Å; M57-F91 HydrophobicContact CE-CB 4.24Å; M57-F91 HydrophobicContact CE-CD1 3.41Å; M57-F91 VanDerWaalsContact CE-CD1 3.41Å; M57-F91 HydrophobicContact CE-CD2 3.14Å; M57-F91 HydrophobicContact CE-CE1 3.32Å; M57-F91 HydrophobicContact CE-CE2 3.1Å; M57-F91 HydrophobicContact CE-CG 3.32Å; M57-F91 HydrophobicContact CE-CZ 3.18Å; M57-F91 HydrophobicContact SD-CB 4.3Å; M57-F91 HydrophobicContact SD-CD2 3.58Å; M57-F91 VanDerWaalsContact SD-CD2 3.58Å; M57-F91 HydrophobicContact SD-CE2 3.98Å; M57-F91 HydrophobicContact SD-CG 3.89Å
58D86.3Confident86.4Confident69 Ų6972.8 Ų72.837%0.36941%0.405SS..EExtended strand (participates in β ladder)trans-112.1153.6171-1600.5000110.4F39 D77F39-D58 HydrophobicContact CE1-CB 4.08Å; D58-D77 HydrophobicContact CB-CB 4.37Å; D58-D77 PolarHBondContact N-O 3.09Å; D58-D77 PolarHBondContact O-N 3.45Å
59Y90Very high86.1Confident92 Ų9272.7 Ų72.736%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-140.7126.8-176.1167.1-101.7000110.7T61 R74 I75 W76Y59-T61 PolarHBondContact OH-OG1 3.38Å; Y59-R74 HydrophobicContact CE2-CB 3.79Å; Y59-R74 HydrophobicContact CE2-CG 4.25Å; Y59-R74 WeakPolarHBondContact OH-CG 3.42Å; Y59-I75 WeakPolarHBondContact CA-O 3.49Å; Y59-I75 WeakPolarHBondContact CD2-O 3.08Å; Y59-W76 AromaticContact CD2-CD2 3.89Å; Y59-W76 HydrophobicContact CD2-CD2 3.89Å; Y59-W76 AromaticContact CD2-CE2 3.58Å; Y59-W76 HydrophobicContact CD2-CE3 4.43Å; Y59-W76 HydrophobicContact CD2-CG 4.21Å; Y59-W76 HydrophobicContact CD2-CH2 4.46Å; Y59-W76 AromaticContact CD2-CZ2 3.91Å; Y59-W76 HydrophobicContact CD2-CZ2 3.91Å; Y59-W76 AromaticContact CD2-NE1 3.68Å; Y59-W76 HydrophobicContact CE2-CZ2 4.34Å; Y59-W76 AromaticContact CE2-NE1 3.87Å; Y59-W76 HydrophobicContact CG-CD2 4.49Å; Y59-W76 HydrophobicContact CG-CH2 4.46Å; Y59-W76 HydrophobicContact CG-CZ2 4.31Å
60K93.6Very high86.3Confident65 Ų6566.6 Ų66.628%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-136.6157.1171-71.4-178.3179.4-1340111.5F39 V43 D44 I75F39-K60 HydrophobicContact CE1-CD 4.1Å; F39-K60 HydrophobicContact CE1-CG 4.25Å; F39-K60 HydrophobicContact CE2-CB 3.89Å; F39-K60 HydrophobicContact CE2-CG 4.4Å; F39-K60 HydrophobicContact CZ-CB 3.55Å; F39-K60 HydrophobicContact CZ-CD 3.8Å; F39-K60 HydrophobicContact CZ-CG 3.57Å; V43-K60 HydrophobicContact CB-CD 4.36Å; V43-K60 HydrophobicContact CG1-CB 3.95Å; V43-K60 HydrophobicContact CG1-CD 3.69Å; V43-K60 HydrophobicContact CG1-CG 4.45Å; V43-K60 HydrophobicContact CG2-CB 4.45Å; D44-K60 IonicContact OD1-NZ 2.8Å; D44-K60 IonicContact OD2-NZ 2.83Å; D44-K60 PolarHBondContact OD2-NZ 2.92Å; K60-I75 PolarHBondContact N-O 3.03Å; K60-I75 VanDerWaalsContact N-O 3.14Å; K60-I75 PolarHBondContact O-N 3.11Å
61T94Very high86.7Confident61 Ų6159.5 Ų59.537%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-108.4136.5171.2-62.90000109.7Y59 R72 L73Y59-T61 PolarHBondContact OH-OG1 3.38Å; T61-R72 HydrophobicContact CG2-CG 3.3Å; T61-L73 CarbonylContact C-O 3.42Å; T61-L73 WeakPolarHBondContact CA-O 3.25Å; T61-L73 WeakPolarHBondContact CG2-O 3.41Å
62K94.5Very high87.3Confident60 Ų6062.1 Ų62.126%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-134.2130173-164.9-165-177.585.30109.6F42 V43 I64 L73F42-K62 HydrophobicContact CD1-CD 3.97Å; F42-K62 HydrophobicContact CE1-CD 3.5Å; F42-K62 HydrophobicContact CE2-CD 4.5Å; F42-K62 HydrophobicContact CZ-CD 3.82Å; F42-K62 WeakPolarHBondContact O-CE 3.39Å; F42-K62 PolarHBondContact O-NZ 3.45Å; V43-K62 PolarHBondContact O-NZ 2.75Å; K62-I64 HydrophobicContact CD-CG2 3.98Å; K62-I64 HydrophobicContact CG-CG2 4.41Å; K62-L73 PolarHBondContact N-O 2.64Å; K62-L73 WeakPolarHBondContact O-CB 3.35Å; K62-L73 PolarHBondContact O-N 3.3Å
63C94.3Very high88Confident28 Ų2857 Ų5719%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-84.1134167.2-70.90000109.4V71C63-V71 WeakPolarHBondContact CA-O 3.5Å
64I94.7Very high88.6Confident10 Ų1057.9 Ų57.95%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-128.6154.3170.663.7163.1000110F42 K62 V66 C70 V71 L73 E178 V181F42-I64 HydrophobicContact CZ-CG2 3.92Å; K62-I64 HydrophobicContact CD-CG2 3.98Å; K62-I64 HydrophobicContact CG-CG2 4.41Å; I64-V66 HydrophobicContact CD1-CG2 3.6Å; I64-V66 HydrophobicContact CG1-CG2 4.07Å; I64-C70 CarbonylContact O-C 3.33Å; I64-V71 HydrophobicContact CG1-CB 4.4Å; I64-V71 PolarHBondContact N-O 3.43Å; I64-V71 PolarHBondContact O-N 3.01Å; I64-L73 HydrophobicContact CD1-CD1 3.81Å; I64-L73 HydrophobicContact CD1-CG 4.4Å; I64-L73 HydrophobicContact CG1-CD1 4.01Å; I64-L73 HydrophobicContact CG1-CG 4.18Å; I64-L73 HydrophobicContact CG2-CD1 4.3Å; I64-E178 HydrophobicContact CD1-CG 4.24Å; I64-V181 HydrophobicContact CD1-CB 4.16Å; I64-V181 HydrophobicContact CD1-CG1 4.11Å; I64-V181 HydrophobicContact CD1-CG2 4.02Å
65Y91.5Very high89.7Confident98 Ų9856.3 Ų56.338%0.38429%0.287SS..EExtended strand (participates in β ladder)trans-102.6115.6175.1-71.9-98.2000109.9S17 N69 C70S17-Y65 WeakPolarHBondContact CB-OH 3.47Å; S17-Y65 PolarHBondContact OG-OH 3.24Å; Y65-N69 VanDerWaalsContact CA-O 3.29Å; Y65-N69 WeakPolarHBondContact CA-O 3.17Å; Y65-C70 HydrophobicContact CD1-CB 4.26Å; Y65-C70 HydrophobicContact CE1-CB 3.8Å
66V87.8Confident90.7Very high14 Ų1452.4 Ų52.49%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-119.5122.6175.9-177.50000107.6I64 G68 N69 V181 L182 L185I64-V66 HydrophobicContact CD1-CG2 3.6Å; I64-V66 HydrophobicContact CG1-CG2 4.07Å; V66-G68 PolarHBondContact O-N 2.85Å; V66-G68 VanDerWaalsContact O-N 3.14Å; V66-N69 PolarHBondContact N-O 2.92Å; V66-N69 WeakPolarHBondContact O-CB 3.5Å; V66-N69 PolarHBondContact O-N 2.73Å; V66-V181 HydrophobicContact CG2-CG1 3.89Å; V66-L182 HydrophobicContact CG1-CB 4.48Å; V66-L182 HydrophobicContact CG1-CD1 3.91Å; V66-L185 HydrophobicContact CB-CD1 4.14Å; V66-L185 HydrophobicContact CG1-CD1 3.95Å
67E85.3Confident91.5Very high163 Ų16351.3 Ų51.376%0.76225%0.251SS*.THydrogen-bonded Turntrans52.136.3-176.7-58.1-171.5140.700113.9N69 L182E67-N69 VanDerWaalsContact C-N 3.26Å; E67-N69 PolarHBondContact O-N 2.73Å; E67-L182 HydrophobicContact CG-CD1 4.33Å
68G84.6Confident91.6Very high67 Ų6749.1 Ų49.169%0.69124%0.241SC*.THydrogen-bonded Turntrans82-5.4-179.100000115.1V66V66-G68 PolarHBondContact O-N 2.85Å; V66-G68 VanDerWaalsContact O-N 3.14Å
69N86.7Confident91.2Very high46 Ų4646.2 Ų46.225%0.24623%0.226CC..EExtended strand (participates in β ladder)trans-97.5135.1179.4-62.2-60000111.6L20 Y65 V66 E67 V71 Y197L20-N69 HydrophobicContact CB-CB 4.01Å; L20-N69 HydrophobicContact CD2-CB 3.7Å; L20-N69 HydrophobicContact CG-CB 4.45Å; Y65-N69 VanDerWaalsContact CA-O 3.29Å; Y65-N69 WeakPolarHBondContact CA-O 3.17Å; V66-N69 PolarHBondContact N-O 2.92Å; V66-N69 WeakPolarHBondContact O-CB 3.5Å; V66-N69 PolarHBondContact O-N 2.73Å; E67-N69 VanDerWaalsContact C-N 3.26Å; E67-N69 PolarHBondContact O-N 2.73Å; N69-V71 PolarHBondContact O-N 3.29Å; N69-Y197 PolarHBondContact OD1-OH 3.14Å
70C91.9Very high90.2Very high4 Ų442.3 Ų42.33%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-76121.2172.2-178.20000110V19 L20 I64 Y65V19-C70 CarbonylContact C-O 3.6Å; V19-C70 WeakPolarHBondContact CA-O 3.44Å; L20-C70 WeakPolarHBondContact CB-O 3.46Å; L20-C70 PolarHBondContact N-O 3.11Å; I64-C70 CarbonylContact O-C 3.33Å; Y65-C70 HydrophobicContact CD1-CB 4.26Å; Y65-C70 HydrophobicContact CE1-CB 3.8Å
71V95.2Very high89Confident0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-118.7125.5179-178.30000109.2T21 L23 C63 I64 N69 L73 V181 L185T21-V71 HydrophobicContact CG2-CG1 4.01Å; L23-V71 HydrophobicContact CD1-CG1 3.73Å; L23-V71 HydrophobicContact CG-CG1 3.89Å; C63-V71 WeakPolarHBondContact CA-O 3.5Å; I64-V71 HydrophobicContact CG1-CB 4.4Å; I64-V71 PolarHBondContact N-O 3.43Å; I64-V71 PolarHBondContact O-N 3.01Å; N69-V71 PolarHBondContact O-N 3.29Å; V71-L73 HydrophobicContact CG1-CD2 3.91Å; V71-V181 HydrophobicContact CG1-CG1 4.11Å; V71-L185 HydrophobicContact CG2-CD1 4.12Å
72R96.2Very high87.4Confident114 Ų11446 Ų4643%0.4323%0.228SC..EExtended strand (participates in β ladder)trans-91.9107.4-178.7-177.8178.8-64.7-156.92.3111.2V19 T21 S22 L23 T61V19-R72 HydrophobicContact CG1-CB 3.66Å; T21-R72 PolarHBondContact O-N 2.99Å; S22-R72 CarbonylContact C-O 3.52Å; S22-R72 WeakPolarHBondContact CA-O 3.31Å; S22-R72 PolarHBondContact OG-O 3.45Å; S22-R72 VanDerWaalsContact OG-O 3.11Å; L23-R72 PolarHBondContact N-O 3.05Å; T61-R72 HydrophobicContact CG2-CG 3.3Å
73L97.2Very high85.9Confident0 Ų051.9 Ų51.90%025%0.249CC..EExtended strand (participates in β ladder)trans-86.6126.9176.9-50.7-175.8000110.7L23 F42 T61 K62 I64 V71 I75 V181L23-L73 HydrophobicContact CB-CD2 4.11Å; L23-L73 HydrophobicContact CD1-CD2 4.27Å; L23-L73 CarbonylContact O-C 3.39Å; F42-L73 HydrophobicContact CE1-CD1 3.9Å; F42-L73 HydrophobicContact CZ-CD1 3.97Å; T61-L73 CarbonylContact C-O 3.42Å; T61-L73 WeakPolarHBondContact CA-O 3.25Å; T61-L73 WeakPolarHBondContact CG2-O 3.41Å; K62-L73 PolarHBondContact N-O 2.64Å; K62-L73 WeakPolarHBondContact O-CB 3.35Å; K62-L73 PolarHBondContact O-N 3.3Å; I64-L73 HydrophobicContact CD1-CD1 3.81Å; I64-L73 HydrophobicContact CD1-CG 4.4Å; I64-L73 HydrophobicContact CG1-CD1 4.01Å; I64-L73 HydrophobicContact CG1-CG 4.18Å; I64-L73 HydrophobicContact CG2-CD1 4.3Å; V71-L73 HydrophobicContact CG1-CD2 3.91Å; L73-I75 HydrophobicContact CB-CD1 4Å; L73-I75 HydrophobicContact CB-CG1 3.81Å; L73-I75 HydrophobicContact CD1-CD1 4.35Å; L73-V181 HydrophobicContact CD1-CG2 3.89Å; L73-V181 HydrophobicContact CD2-CG1 4.42Å; L73-V181 HydrophobicContact CD2-CG2 3.43Å; L73-V181 VanDerWaalsContact CD2-CG2 3.43Å; L73-V181 HydrophobicContact CG-CG2 4.3Å
74R95.5Very high84.3Confident82 Ų8252.7 Ų52.731%0.30925%0.25SC..EExtended strand (participates in β ladder)trans-104.794.7172.5-72.3-172-67.7123.73.7107.7S22 L23 K24 I25 Y59S22-R74 PolarHBondContact OG-NE 3.15Å; L23-R74 PolarHBondContact O-N 3.45Å; K24-R74 WeakPolarHBondContact CA-O 3.5Å; I25-R74 PolarHBondContact N-O 2.81Å; Y59-R74 HydrophobicContact CE2-CB 3.79Å; Y59-R74 HydrophobicContact CE2-CG 4.25Å; Y59-R74 WeakPolarHBondContact OH-CG 3.42Å
75I95.7Very high82.5Confident0 Ų054.4 Ų54.40%026%0.255CS..EExtended strand (participates in β ladder)trans-102.7128.5-167-51.2172.2000109.3I25 L27 F39 F42 V43 Y59 K60 L73 F177I25-I75 HydrophobicContact CB-CG1 4.29Å; I25-I75 WeakPolarHBondContact O-CA 3.29Å; L27-I75 HydrophobicContact CD1-CG2 3.39Å; F39-I75 HydrophobicContact CD2-CB 4.26Å; F39-I75 HydrophobicContact CD2-CG2 3.7Å; F39-I75 HydrophobicContact CE2-CB 3.97Å; F39-I75 HydrophobicContact CE2-CG2 3.89Å; F42-I75 HydrophobicContact CD1-CD1 3.72Å; F42-I75 HydrophobicContact CE1-CD1 3.62Å; V43-I75 HydrophobicContact CG2-CD1 4.04Å; Y59-I75 WeakPolarHBondContact CA-O 3.49Å; Y59-I75 WeakPolarHBondContact CD2-O 3.08Å; K60-I75 PolarHBondContact N-O 3.03Å; K60-I75 VanDerWaalsContact N-O 3.14Å; K60-I75 PolarHBondContact O-N 3.11Å; L73-I75 HydrophobicContact CB-CD1 4Å; L73-I75 HydrophobicContact CB-CG1 3.81Å; L73-I75 HydrophobicContact CD1-CD1 4.35Å; I75-F177 HydrophobicContact CD1-CD1 4.27Å; I75-F177 HydrophobicContact CD1-CE1 4.06Å; I75-F177 HydrophobicContact CG2-CE1 4.28Å
76W93.4Very high80.7Confident53 Ų5355.5 Ų55.520%0.20127%0.273CS..EExtended strand (participates in β ladder)trans-110.3116.7178.4-67.983000109.6I25 L26 L27 M57 Y59 F91I25-W76 PolarHBondContact O-N 3.5Å; L26-W76 HydrophobicContact CD1-CB 3.54Å; L26-W76 HydrophobicContact CD1-CG 4.42Å; L27-W76 PolarHBondContact N-O 3.41Å; M57-W76 HydrophobicContact CE-CE3 3.43Å; M57-W76 VanDerWaalsContact CE-CE3 3.43Å; M57-W76 HydrophobicContact CE-CZ3 3.54Å; M57-W76 HydrophobicContact SD-CE3 4.46Å; Y59-W76 AromaticContact CD2-CD2 3.89Å; Y59-W76 HydrophobicContact CD2-CD2 3.89Å; Y59-W76 AromaticContact CD2-CE2 3.58Å; Y59-W76 HydrophobicContact CD2-CE3 4.43Å; Y59-W76 HydrophobicContact CD2-CG 4.21Å; Y59-W76 HydrophobicContact CD2-CH2 4.46Å; Y59-W76 AromaticContact CD2-CZ2 3.91Å; Y59-W76 HydrophobicContact CD2-CZ2 3.91Å; Y59-W76 AromaticContact CD2-NE1 3.68Å; Y59-W76 HydrophobicContact CE2-CZ2 4.34Å; Y59-W76 AromaticContact CE2-NE1 3.87Å; Y59-W76 HydrophobicContact CG-CD2 4.49Å; Y59-W76 HydrophobicContact CG-CH2 4.46Å; Y59-W76 HydrophobicContact CG-CZ2 4.31Å; W76-F91 HydrophobicContact CD2-CD1 4.23Å; W76-F91 AromaticContact CE3-CD1 3.83Å; W76-F91 HydrophobicContact CE3-CD1 3.83Å; W76-F91 HydrophobicContact CE3-CE1 4.08Å; W76-F91 AromaticContact CH2-CD1 3.85Å; W76-F91 HydrophobicContact CH2-CD1 3.85Å; W76-F91 AromaticContact CH2-CE1 3.6Å; W76-F91 HydrophobicContact CH2-CE1 3.6Å; W76-F91 HydrophobicContact CZ2-CD1 4.26Å; W76-F91 HydrophobicContact CZ2-CE1 4.4Å; W76-F91 AromaticContact CZ3-CD1 3.62Å; W76-F91 HydrophobicContact CZ3-CD1 3.62Å; W76-F91 AromaticContact CZ3-CE1 3.41Å; W76-F91 HydrophobicContact CZ3-CE1 3.41Å; W76-F91 VanDerWaalsContact CZ3-CE1 3.41Å; W76-F91 HydrophobicContact CZ3-CZ 4.33Å
77D91Very high79.2Confident2 Ų261.5 Ų61.51%0.01130%0.301CS..EExtended strand (participates in β ladder)trans-91.3122169179.139.6000109.5K35 S36 F39 M57 D58K35-D77 VanDerWaalsContact CB-OD1 3.26Å; K35-D77 WeakPolarHBondContact CB-OD1 3.48Å; S36-D77 WeakPolarHBondContact CA-OD2 3.44Å; S36-D77 WeakPolarHBondContact CB-OD2 3.33Å; S36-D77 PolarHBondContact N-OD1 2.95Å; S36-D77 PolarHBondContact OG-OD2 3.19Å; F39-D77 HydrophobicContact CB-CB 4.21Å; F39-D77 HydrophobicContact CD1-CB 3.91Å; F39-D77 HydrophobicContact CD2-CB 4.36Å; F39-D77 HydrophobicContact CE1-CB 4.3Å; F39-D77 HydrophobicContact CG-CB 3.92Å; M57-D77 CarbonylContact C-O 3.44Å; M57-D77 WeakPolarHBondContact CA-O 3.38Å; M57-D77 VanDerWaalsContact CB-O 3.25Å; M57-D77 WeakPolarHBondContact CB-O 3.43Å; D58-D77 HydrophobicContact CB-CB 4.37Å; D58-D77 PolarHBondContact N-O 3.09Å; D58-D77 PolarHBondContact O-N 3.45Å
78T84.5Confident78.1Confident4 Ų454.2 Ų54.23%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-100.4147.8-174.865.10000112.4L26 L27 I28 K35 M57 G80L26-T78 HydrophobicContact CD1-CG2 3.42Å; L26-T78 VanDerWaalsContact CD1-CG2 3.42Å; L26-T78 HydrophobicContact CG-CG2 4.12Å; L27-T78 WeakPolarHBondContact O-CB 3.3Å; L27-T78 WeakPolarHBondContact O-CG2 3.28Å; L27-T78 PolarHBondContact O-OG1 2.94Å; I28-T78 HydrophobicContact CG2-CG2 4.25Å; K35-T78 WeakPolarHBondContact CE-O 3.48Å; M57-T78 HydrophobicContact SD-CG2 3.86Å; T78-G80 PolarHBondContact O-N 3.32Å
79A78.5Confident77.4Confident8 Ų854.3 Ų54.37%0.06625%0.253CS..PPolyproline II helixtrans-61.3129.6164.900000110.3T54 G56 M81 F84T54-A79 VanDerWaalsContact O-CB 3.28Å; T54-A79 WeakPolarHBondContact O-CB 3.26Å; G56-A79 WeakPolarHBondContact O-CB 3.39Å; G56-A79 PolarHBondContact O-N 3.22Å; A79-M81 PolarHBondContact O-N 3.2Å; A79-F84 HydrophobicContact CB-CB 4.01Å; A79-F84 HydrophobicContact CB-CD2 4.21Å; A79-F84 HydrophobicContact CB-CG 4.41Å
80G67.4Low76.9Confident10 Ų1054.6 Ų54.610%0.10326%0.258CS..  trans-81.62.6174.700000114.4G29 S31 K35 T78G29-G80 WeakPolarHBondContact O-CA 3.39Å; S31-G80 PolarHBondContact N-O 3.47Å; K35-G80 VanDerWaalsContact NZ-CA 3.32Å; T78-G80 PolarHBondContact O-N 3.32Å
81M68.5Low76.4Confident47 Ų4756.7 Ų56.723%0.23227%0.267CS..  trans-89.2126.7-178.3-83.2-168.4-77.100110.7A53 A79 R83 F84A53-M81 HydrophobicContact CB-CE 4.22Å; A79-M81 PolarHBondContact O-N 3.2Å; M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.17Å; M81-F84 HydrophobicContact CB-CD2 3.85Å; M81-F84 HydrophobicContact CB-CE2 4.41Å; M81-F84 HydrophobicContact CE-CD2 3.98Å; M81-F84 HydrophobicContact CE-CE2 3.52Å; M81-F84 PolarHBondContact O-N 2.88Å; M81-F84 HydrophobicContact SD-CE2 4.31Å
82E60.4Low76Confident155 Ų15556.9 Ų56.972%0.72427%0.268SS*.G310 helixtrans-49.8-43.5-177.6-165.8-162.2-174.300113.8F84 R85E82-F84 PolarHBondContact O-N 2.95Å; E82-R85 VanDerWaalsContact O-CB 3.23Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 WeakPolarHBondContact O-CG 3.23Å; E82-R85 PolarHBondContact O-N 3.21Å
83R62.7Low75.6Confident185 Ų18557.6 Ų57.670%0.69827%0.271SS*.G310 helixtrans-61.2-14.7-179.671.2-178.6-178.4-159.1-1.5115M81M81-R83 VanDerWaalsContact C-N 3.29Å; M81-R83 PolarHBondContact O-N 3.17Å
84F61.1Low75.2Confident45 Ų4561.9 Ų61.920%0.19729%0.294CS..G310 helixtrans-102.3-6175.2-61.7-66.9000112.9I55 A79 M81 E82 T86 M87I55-F84 HydrophobicContact CG2-CE1 4.34Å; I55-F84 HydrophobicContact CG2-CZ 4.13Å; A79-F84 HydrophobicContact CB-CB 4.01Å; A79-F84 HydrophobicContact CB-CD2 4.21Å; A79-F84 HydrophobicContact CB-CG 4.41Å; M81-F84 HydrophobicContact CB-CD2 3.85Å; M81-F84 HydrophobicContact CB-CE2 4.41Å; M81-F84 HydrophobicContact CE-CD2 3.98Å; M81-F84 HydrophobicContact CE-CE2 3.52Å; M81-F84 PolarHBondContact O-N 2.88Å; M81-F84 HydrophobicContact SD-CE2 4.31Å; E82-F84 PolarHBondContact O-N 2.95Å; F84-T86 PolarHBondContact O-N 3.42Å; F84-M87 PolarHBondContact O-N 3.09Å
85R58.3Low75.2Confident45 Ų4558 Ų5817%0.1728%0.279CS..G310 helixtrans-67.5-16.6178.6-67.6-179.1-173.7-140.412.8114.3E82 M87 T88 W116 E119E82-R85 VanDerWaalsContact O-CB 3.23Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 WeakPolarHBondContact O-CG 3.23Å; E82-R85 PolarHBondContact O-N 3.21Å; R85-M87 VanDerWaalsContact C-N 3.33Å; R85-T88 VanDerWaalsContact C-OG1 3.24Å; R85-T88 PolarHBondContact O-OG1 2.99Å; R85-W116 HydrophobicContact CG-CH2 4.26Å; R85-W116 HydrophobicContact CG-CZ3 4.39Å; R85-W116 VanDerWaalsContact NE-CH2 3.34Å; R85-E119 IonicContact CZ-OE2 3.8Å; R85-E119 IonicContact NH1-OE2 3.91Å; R85-E119 PolarHBondContact NH1-OE2 2.84Å
86T53.7Low75.2Confident122 Ų12258.9 Ų58.975%0.74828%0.283SS*.G310 helixtrans-82.2-13177.646.70000113.1F84 T88F84-T86 PolarHBondContact O-N 3.42Å; T86-T88 PolarHBondContact O-N 2.99Å
87M56.3Low75.4Confident139 Ų13956.3 Ų56.369%0.68527%0.273SS*.G310 helixtrans-82.92.1176.4-65.8-168.679.900112.7F84 R85 F91F84-M87 PolarHBondContact O-N 3.09Å; R85-M87 VanDerWaalsContact C-N 3.33Å; M87-F91 WeakPolarHBondContact O-CE2 3.37Å
88T61.3Low75.7Confident11 Ų1156.2 Ų56.27%0.06727%0.273CS..  trans-110.2-5.2-154.9380000119.3M57 R85 T86 S90 F91 Y92M57-T88 HydrophobicContact SD-CG2 3.82Å; R85-T88 VanDerWaalsContact C-OG1 3.24Å; R85-T88 PolarHBondContact O-OG1 2.99Å; T86-T88 PolarHBondContact O-N 2.99Å; T88-S90 PolarHBondContact O-N 2.88Å; T88-F91 HydrophobicContact CG2-CD2 3.88Å; T88-F91 HydrophobicContact CG2-CE2 4.44Å; T88-F91 WeakPolarHBondContact O-CB 3.27Å; T88-F91 PolarHBondContact O-N 3.46Å; T88-Y92 VanDerWaalsContact O-CD2 3.29Å; T88-Y92 WeakPolarHBondContact O-CD2 3.41Å; T88-Y92 PolarHBondContact O-N 3.4Å
89D69.6Low76.4Confident68 Ų6856.1 Ų56.136%0.36427%0.272SS..Hα-helixtrans-53.1-38.5-175.5-60.47.8000113.6F91 R93 Y123D89-F91 PolarHBondContact O-N 3.35Å; D89-R93 PolarHBondContact O-N 3.45Å; D89-Y123 HydrophobicContact CB-CD1 4.07Å; D89-Y123 HydrophobicContact CB-CE1 4.44Å; D89-Y123 VanDerWaalsContact CG-CE1 3.5Å; D89-Y123 WeakPolarHBondContact OD1-CE1 3.35Å
90S76.1Confident77.3Confident53 Ų5355.8 Ų55.837%0.37127%0.269SS..Hα-helixtrans-66.2-23.1177.1500000114.2K24 T88K24-S90 PolarHBondContact NZ-O 3.24Å; T88-S90 PolarHBondContact O-N 2.88Å
91F80.9Confident78.8Confident48 Ų4855.3 Ų55.321%0.21126%0.264CS..Hα-helixtrans-87.1-29.3-177-54-66.4000112.6K24 L26 M57 W76 M87 T88 D89 R93K24-F91 WeakPolarHBondContact CE-O 3.22Å; K24-F91 PolarHBondContact NZ-O 2.72Å; L26-F91 HydrophobicContact CD1-CB 4.48Å; M57-F91 HydrophobicContact CE-CB 4.24Å; M57-F91 HydrophobicContact CE-CD1 3.41Å; M57-F91 VanDerWaalsContact CE-CD1 3.41Å; M57-F91 HydrophobicContact CE-CD2 3.14Å; M57-F91 HydrophobicContact CE-CE1 3.32Å; M57-F91 HydrophobicContact CE-CE2 3.1Å; M57-F91 HydrophobicContact CE-CG 3.32Å; M57-F91 HydrophobicContact CE-CZ 3.18Å; M57-F91 HydrophobicContact SD-CB 4.3Å; M57-F91 HydrophobicContact SD-CD2 3.58Å; M57-F91 VanDerWaalsContact SD-CD2 3.58Å; M57-F91 HydrophobicContact SD-CE2 3.98Å; M57-F91 HydrophobicContact SD-CG 3.89Å; W76-F91 HydrophobicContact CD2-CD1 4.23Å; W76-F91 AromaticContact CE3-CD1 3.83Å; W76-F91 HydrophobicContact CE3-CD1 3.83Å; W76-F91 HydrophobicContact CE3-CE1 4.08Å; W76-F91 AromaticContact CH2-CD1 3.85Å; W76-F91 HydrophobicContact CH2-CD1 3.85Å; W76-F91 AromaticContact CH2-CE1 3.6Å; W76-F91 HydrophobicContact CH2-CE1 3.6Å; W76-F91 HydrophobicContact CZ2-CD1 4.26Å; W76-F91 HydrophobicContact CZ2-CE1 4.4Å; W76-F91 AromaticContact CZ3-CD1 3.62Å; W76-F91 HydrophobicContact CZ3-CD1 3.62Å; W76-F91 AromaticContact CZ3-CE1 3.41Å; W76-F91 HydrophobicContact CZ3-CE1 3.41Å; W76-F91 VanDerWaalsContact CZ3-CE1 3.41Å; W76-F91 HydrophobicContact CZ3-CZ 4.33Å; M87-F91 WeakPolarHBondContact O-CE2 3.37Å; T88-F91 HydrophobicContact CG2-CD2 3.88Å; T88-F91 HydrophobicContact CG2-CE2 4.44Å; T88-F91 WeakPolarHBondContact O-CB 3.27Å; T88-F91 PolarHBondContact O-N 3.46Å; D89-F91 PolarHBondContact O-N 3.35Å; F91-R93 VanDerWaalsContact C-N 3.34Å
92Y87Confident80.2Confident3 Ų353 Ų531%0.01225%0.253CS..Hα-helixtrans-66.5-38.3168-68.2-84.2000111.9L26 I28 T88 N94 A95 E119 V120 Y123 C124L26-Y92 HydrophobicContact CD2-CD1 3.58Å; L26-Y92 HydrophobicContact CD2-CE1 3.63Å; L26-Y92 HydrophobicContact CD2-CG 4.14Å; I28-Y92 HydrophobicContact CD1-CE1 4.37Å; I28-Y92 HydrophobicContact CG2-CE1 4.14Å; T88-Y92 VanDerWaalsContact O-CD2 3.29Å; T88-Y92 WeakPolarHBondContact O-CD2 3.41Å; T88-Y92 PolarHBondContact O-N 3.4Å; Y92-N94 PolarHBondContact O-N 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.47Å; Y92-A95 PolarHBondContact O-N 3.07Å; Y92-A95 VanDerWaalsContact O-N 3.15Å; Y92-E119 HydrophobicContact CE1-CG 4.33Å; Y92-E119 HydrophobicContact CE2-CG 4.24Å; Y92-E119 PolarHBondContact OH-OE1 3.22Å; Y92-V120 HydrophobicContact CD1-CG2 3.91Å; Y92-V120 HydrophobicContact CE1-CG2 3.71Å; Y92-Y123 VanDerWaalsContact CB-CB 3.47Å; Y92-Y123 HydrophobicContact CD2-CD2 4.2Å; Y92-Y123 HydrophobicContact CD2-CG 4.39Å; Y92-Y123 HydrophobicContact CE2-CD2 4.47Å; Y92-C124 PolarHBondContact O-SG 3.06Å
93R88Confident82.1Confident130 Ų13045.7 Ų45.749%0.49122%0.219SC..THydrogen-bonded Turntrans-52.9132.5-179.4-82-173.7-83.6164.3-6.8112.3K24 D89 F91 A95K24-R93 PolarHBondContact NZ-O 3.48Å; D89-R93 PolarHBondContact O-N 3.45Å; F91-R93 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 2.97Å; R93-A95 VanDerWaalsContact O-N 3.15Å
94N90.2Very high83.8Confident90 Ų9036.9 Ų36.948%0.48119%0.185SC..THydrogen-bonded Turntrans59.316.1177.7-51-35.3000115.2Y92 Q96 N125Y92-N94 PolarHBondContact O-N 3.24Å; N94-Q96 PolarHBondContact O-N 3.34Å; N94-Q96 PolarHBondContact O-OE1 2.92Å; N94-N125 PolarHBondContact N-OD1 2.78Å; N94-N125 PolarHBondContact OD1-ND2 2.91Å; N94-N125 PolarHBondContact OD1-OD1 2.63Å; N94-N125 VanDerWaalsContact OD1-OD1 3.11Å
95A94.5Very high85.6Confident0 Ų035.6 Ų35.60%018%0.181CC..  trans-64.4132.9170.900000109.8Y92 R93 I98 A129Y92-A95 WeakPolarHBondContact O-CB 3.47Å; Y92-A95 PolarHBondContact O-N 3.07Å; Y92-A95 VanDerWaalsContact O-N 3.15Å; R93-A95 PolarHBondContact O-N 2.97Å; R93-A95 VanDerWaalsContact O-N 3.15Å; A95-I98 HydrophobicContact CB-CD1 3.5Å; A95-I98 VanDerWaalsContact CB-CD1 3.5Å; A95-A129 WeakPolarHBondContact O-CB 3.4Å
96Q96.7Very high87.5Confident18 Ų1838 Ų388%0.08419%0.193CC..SBendtrans-95-30.6177-71.5117.3-4500112.2K24 N94 K126 A129 V130 I184 L190K24-Q96 VanDerWaalsContact CB-OE1 3.26Å; K24-Q96 PolarHBondContact O-N 2.92Å; N94-Q96 PolarHBondContact O-N 3.34Å; N94-Q96 PolarHBondContact O-OE1 2.92Å; Q96-K126 HydrophobicContact CG-CD 4.46Å; Q96-A129 CarbonylContact O-C 3.52Å; Q96-A129 WeakPolarHBondContact O-CA 3.4Å; Q96-V130 PolarHBondContact O-N 3.48Å; Q96-I184 HydrophobicContact CB-CD1 4.17Å; Q96-I184 HydrophobicContact CB-CG2 4.16Å; Q96-L190 HydrophobicContact CG-CB 4.37Å; Q96-L190 VanDerWaalsContact CG-O 3.27Å; Q96-L190 WeakPolarHBondContact CG-O 3.45Å; Q96-L190 PolarHBondContact NE2-O 2.75Å
97G97.6Very high89.6Confident0 Ų035.5 Ų35.50%017%0.17CC..EExtended strand (participates in β ladder)trans-126.7136.7175.500000111.6K24 I25 L26 V130K24-G97 PolarHBondContact O-N 3.4Å; I25-G97 CarbonylContact C-O 3.5Å; I25-G97 VanDerWaalsContact CA-O 3.3Å; I25-G97 WeakPolarHBondContact CA-O 3.25Å; L26-G97 PolarHBondContact N-O 2.96Å; G97-V130 CarbonylContact C-O 3.5Å; G97-V130 VanDerWaalsContact CA-O 3.28Å; G97-V130 WeakPolarHBondContact CA-O 3.42Å
98I97Very high91.6Very high0 Ų034.4 Ų34.40%016%0.163CC..EExtended strand (participates in β ladder)trans-123.7128.3174.2-49.5-67.4000109.1L26 I28 A95 F100 V120 V130 K131 I132L26-I98 HydrophobicContact CB-CD1 3.85Å; L26-I98 HydrophobicContact CD2-CD1 4.17Å; L26-I98 WeakPolarHBondContact O-CA 3.42Å; I28-I98 HydrophobicContact CD1-CG2 3.59Å; I28-I98 HydrophobicContact CG1-CG2 3.93Å; A95-I98 HydrophobicContact CB-CD1 3.5Å; A95-I98 VanDerWaalsContact CB-CD1 3.5Å; I98-F100 HydrophobicContact CB-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CD2 3.93Å; I98-F100 HydrophobicContact CG2-CE2 3.49Å; I98-F100 VanDerWaalsContact CG2-CE2 3.49Å; I98-F100 HydrophobicContact CG2-CZ 3.86Å; I98-V120 HydrophobicContact CG1-CG1 4.14Å; I98-V120 HydrophobicContact CG2-CG2 4.03Å; I98-V130 PolarHBondContact N-O 2.81Å; I98-K131 HydrophobicContact CB-CG 4.19Å; I98-K131 HydrophobicContact CG1-CG 4.41Å; I98-K131 WeakPolarHBondContact O-CA 3.5Å; I98-I132 PolarHBondContact O-N 2.96Å
99I98.4Very high93.3Very high2 Ų234 Ų341%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-108.1109.6174.7-56.9-179.7000107.9I25 L26 L27 I28 V101 I132 V134 F177 L180I25-I99 HydrophobicContact CG2-CD1 3.93Å; I25-I99 HydrophobicContact CG2-CG1 4.08Å; L26-I99 PolarHBondContact O-N 3.25Å; L27-I99 WeakPolarHBondContact CA-O 3.27Å; L27-I99 HydrophobicContact CD1-CD1 4.12Å; L27-I99 HydrophobicContact CG-CB 4.13Å; L27-I99 HydrophobicContact CG-CD1 4.3Å; L27-I99 HydrophobicContact CG-CG2 4.46Å; I28-I99 PolarHBondContact N-O 3.07Å; I99-V101 HydrophobicContact CG2-CG2 3.82Å; I99-I132 HydrophobicContact CB-CG2 4.12Å; I99-I132 HydrophobicContact CG1-CG2 3.7Å; I99-I132 HydrophobicContact CG2-CG2 4.13Å; I99-V134 HydrophobicContact CG2-CB 4.3Å; I99-V134 HydrophobicContact CG2-CG2 3.6Å; I99-F177 HydrophobicContact CD1-CD1 3.72Å; I99-F177 HydrophobicContact CD1-CD2 4.42Å; I99-F177 HydrophobicContact CD1-CE1 3.44Å; I99-F177 VanDerWaalsContact CD1-CE1 3.44Å; I99-F177 HydrophobicContact CD1-CE2 4.2Å; I99-F177 HydrophobicContact CD1-CG 4.22Å; I99-F177 HydrophobicContact CD1-CZ 3.71Å; I99-L180 HydrophobicContact CD1-CD2 3.96Å; I99-L180 HydrophobicContact CG1-CD2 3.58Å
100F98Very high94.7Very high0 Ų031.8 Ų31.80%015%0.148CC..EExtended strand (participates in β ladder)trans-86124.5171.1-67.1-94.2000108.8I28 I98 I113 W116 L117 V120 K131 I132 L133 V134I28-F100 HydrophobicContact CD1-CD1 3.67Å; I28-F100 HydrophobicContact CD1-CE1 3.37Å; I28-F100 HydrophobicContact CD1-CE2 4.48Å; I28-F100 HydrophobicContact CD1-CG 4.37Å; I28-F100 HydrophobicContact CD1-CZ 3.82Å; I28-F100 HydrophobicContact CG1-CD1 3.85Å; I28-F100 HydrophobicContact CG1-CE1 4.09Å; I28-F100 HydrophobicContact CG1-CG 4.28Å; I98-F100 HydrophobicContact CB-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CD2 3.93Å; I98-F100 HydrophobicContact CG2-CE2 3.49Å; I98-F100 VanDerWaalsContact CG2-CE2 3.49Å; I98-F100 HydrophobicContact CG2-CZ 3.86Å; F100-I113 HydrophobicContact CB-CD1 4.13Å; F100-I113 HydrophobicContact CD1-CG2 4.34Å; F100-W116 HydrophobicContact CD1-CB 3.88Å; F100-W116 HydrophobicContact CE1-CB 3.84Å; F100-L117 HydrophobicContact CD1-CG 4.46Å; F100-L117 HydrophobicContact CE1-CB 4.4Å; F100-L117 HydrophobicContact CE1-CD2 3.84Å; F100-L117 HydrophobicContact CE1-CG 3.78Å; F100-L117 HydrophobicContact CE2-CD2 3.94Å; F100-L117 HydrophobicContact CZ-CD2 3.43Å; F100-L117 VanDerWaalsContact CZ-CD2 3.43Å; F100-L117 HydrophobicContact CZ-CG 3.93Å; F100-V120 HydrophobicContact CE1-CG2 4.13Å; F100-V120 HydrophobicContact CZ-CB 4.21Å; F100-V120 HydrophobicContact CZ-CG2 3.76Å; F100-K131 HydrophobicContact CD2-CB 4.38Å; F100-K131 HydrophobicContact CE2-CB 3.89Å; F100-K131 HydrophobicContact CE2-CD 4.08Å; F100-K131 HydrophobicContact CE2-CG 3.96Å; F100-I132 PolarHBondContact N-O 2.79Å; F100-L133 HydrophobicContact CB-CD1 3.89Å; F100-V134 PolarHBondContact O-N 3.49Å
101V98.5Very high95.8Very high0 Ų033.4 Ų33.40%015%0.152CC..EExtended strand (participates in β ladder)trans-117.7128.6-178-169.70000110.1I28 V33 K35 L38 I99 V134 N136I28-V101 PolarHBondContact O-N 2.9Å; V33-V101 HydrophobicContact CB-CG1 4.24Å; V33-V101 HydrophobicContact CG2-CB 3.86Å; V33-V101 HydrophobicContact CG2-CG1 3.73Å; V33-V101 WeakPolarHBondContact CG2-O 3.4Å; K35-V101 HydrophobicContact CG-CB 4Å; K35-V101 HydrophobicContact CG-CG2 4.04Å; L38-V101 HydrophobicContact CD1-CG1 3.72Å; L38-V101 HydrophobicContact CD1-CG2 3.99Å; I99-V101 HydrophobicContact CG2-CG2 3.82Å; V101-V134 WeakPolarHBondContact CA-O 3.36Å; V101-V134 HydrophobicContact CG2-CB 4.46Å; V101-N136 HydrophobicContact CG1-CB 3.85Å
102Y98.7Very high96.5Very high0 Ų033 Ų330%015%0.152CC..EExtended strand (participates in β ladder)trans-123.6161165.874.2-87.2000110.5I104 F110 L133 V134 N136 V146 F162Y102-I104 HydrophobicContact CE2-CG2 3.93Å; Y102-F110 AromaticContact CD1-CD2 3.99Å; Y102-F110 HydrophobicContact CD1-CD2 3.99Å; Y102-F110 HydrophobicContact CD2-CB 3.76Å; Y102-F110 HydrophobicContact CD2-CD2 4.08Å; Y102-F110 HydrophobicContact CD2-CG 4.36Å; Y102-F110 AromaticContact CE1-CD2 3.89Å; Y102-F110 HydrophobicContact CE1-CD2 3.89Å; Y102-F110 HydrophobicContact CE1-CE2 4.41Å; Y102-F110 HydrophobicContact CE2-CB 4.29Å; Y102-F110 HydrophobicContact CE2-CD2 4.01Å; Y102-F110 HydrophobicContact CE2-CG 4.48Å; Y102-F110 HydrophobicContact CG-CB 4.02Å; Y102-F110 HydrophobicContact CG-CD2 4.07Å; Y102-F110 AromaticContact CZ-CD2 3.91Å; Y102-L133 HydrophobicContact CD1-CD1 3.71Å; Y102-L133 HydrophobicContact CD1-CG 4.19Å; Y102-L133 HydrophobicContact CE1-CD1 4Å; Y102-L133 HydrophobicContact CE1-CD2 4.25Å; Y102-L133 HydrophobicContact CE1-CG 3.95Å; Y102-V134 WeakPolarHBondContact CD1-O 3.46Å; Y102-V134 PolarHBondContact N-O 2.93Å; Y102-N136 PolarHBondContact O-N 3.38Å; Y102-V146 HydrophobicContact CD2-CG2 4.46Å; Y102-V146 HydrophobicContact CE2-CB 3.91Å; Y102-V146 HydrophobicContact CE2-CG1 3.76Å; Y102-V146 HydrophobicContact CE2-CG2 4.22Å; Y102-F162 HydrophobicContact CE1-CE2 4.34Å
103D98.6Very high97Very high0 Ų032.9 Ų32.90%015%0.152CC..EExtended strand (participates in β ladder)trans-96.2121.6175.8-179.4-18.2000108.8V33 T105 K106 S109 K137V33-D103 HydrophobicContact CB-CB 4.22Å; V33-D103 HydrophobicContact CG1-CB 4.16Å; D103-T105 VanDerWaalsContact CG-OG1 3.25Å; D103-T105 PolarHBondContact O-N 2.77Å; D103-T105 VanDerWaalsContact O-N 3.07Å; D103-T105 WeakPolarHBondContact OD1-CB 3.27Å; D103-T105 PolarHBondContact OD1-N 2.96Å; D103-T105 PolarHBondContact OD1-OG1 3.39Å; D103-T105 PolarHBondContact OD2-OG1 2.94Å; D103-K106 HydrophobicContact CB-CB 4.12Å; D103-K106 HydrophobicContact CB-CD 4.28Å; D103-K106 HydrophobicContact CB-CG 4.24Å; D103-K106 PolarHBondContact O-N 3.18Å; D103-K106 WeakPolarHBondContact OD2-CD 3.48Å; D103-K106 WeakPolarHBondContact OD2-CE 2.88Å; D103-S109 PolarHBondContact N-OG 2.82Å; D103-S109 PolarHBondContact O-OG 3.13Å; D103-K137 WeakPolarHBondContact OD2-CD 3.28Å; D103-K137 VanDerWaalsContact OD2-CE 3.23Å; D103-K137 WeakPolarHBondContact OD2-CE 3.18Å; D103-K137 IonicContact OD2-NZ 3.05Å; D103-K137 PolarHBondContact OD2-NZ 2.8Å
104I98.8Very high97.3Very high0 Ų030.3 Ų30.30%015%0.15CC..THydrogen-bonded Turntrans-61.8-19.4-177.864.9150000113.2Y102 N136 K137 I138 R144 E145 V146Y102-I104 HydrophobicContact CE2-CG2 3.93Å; I104-N136 WeakPolarHBondContact CG1-O 3.48Å; I104-N136 WeakPolarHBondContact CG2-O 3.31Å; I104-N136 PolarHBondContact N-O 2.74Å; I104-K137 WeakPolarHBondContact CD1-O 3.49Å; I104-K137 WeakPolarHBondContact CG1-O 3.24Å; I104-I138 HydrophobicContact CD1-CB 4.47Å; I104-I138 HydrophobicContact CD1-CG2 4.17Å; I104-I138 HydrophobicContact CG2-CG2 4.32Å; I104-R144 HydrophobicContact CD1-CB 4.21Å; I104-R144 HydrophobicContact CD1-CG 4.27Å; I104-E145 PolarHBondContact O-N 3.31Å; I104-V146 PolarHBondContact O-N 3.32Å; I104-V146 VanDerWaalsContact O-N 3.08Å
105T98.7Very high97.5Very high18 Ų1829.5 Ų29.511%0.1115%0.149CC..THydrogen-bonded Turntrans-90.7-2.5178.772.90000113.1D103 Q140 Y143 E145D103-T105 VanDerWaalsContact CG-OG1 3.25Å; D103-T105 PolarHBondContact O-N 2.77Å; D103-T105 VanDerWaalsContact O-N 3.07Å; D103-T105 WeakPolarHBondContact OD1-CB 3.27Å; D103-T105 PolarHBondContact OD1-N 2.96Å; D103-T105 PolarHBondContact OD1-OG1 3.39Å; D103-T105 PolarHBondContact OD2-OG1 2.94Å; T105-Q140 HydrophobicContact CG2-CB 3.61Å; T105-Y143 WeakPolarHBondContact CA-O 3.06Å; T105-Y143 WeakPolarHBondContact CB-O 3.26Å; T105-E145 WeakPolarHBondContact O-CG 3.34Å
106K98.4Very high97.4Very high96 Ų9629.6 Ų29.642%0.41715%0.149SC..  trans-131.495.3-178.1-60.2-179.1-176.5179.40111D103 Q108 S109D103-K106 HydrophobicContact CB-CB 4.12Å; D103-K106 HydrophobicContact CB-CD 4.28Å; D103-K106 HydrophobicContact CB-CG 4.24Å; D103-K106 PolarHBondContact O-N 3.18Å; D103-K106 WeakPolarHBondContact OD2-CD 3.48Å; D103-K106 WeakPolarHBondContact OD2-CE 2.88Å; K106-Q108 PolarHBondContact O-N 2.88Å; K106-Q108 VanDerWaalsContact O-N 3.13Å; K106-S109 PolarHBondContact O-N 2.99Å; K106-S109 PolarHBondContact O-OG 3.34Å
107R98.5Very high97.2Very high70 Ų7029.1 Ų29.126%0.26415%0.147SC..Hα-helixtrans-51.6-39.6179.5176.3139-69.6-97.62.5113.5S109 F110 L111 E145 E150R107-S109 VanDerWaalsContact C-N 3.26Å; R107-S109 PolarHBondContact O-N 2.97Å; R107-F110 WeakPolarHBondContact O-CB 3.48Å; R107-F110 PolarHBondContact O-N 2.95Å; R107-F110 VanDerWaalsContact O-N 3.1Å; R107-L111 HydrophobicContact CG-CD1 4.08Å; R107-L111 HydrophobicContact CG-CG 4.21Å; R107-L111 PolarHBondContact O-N 2.83Å; R107-E145 HydrophobicContact CB-CB 4.21Å; R107-E145 WeakPolarHBondContact CB-OE2 3.49Å; R107-E145 PolarHBondContact N-OE2 3.49Å; R107-E145 PolarHBondContact NE-O 2.99Å; R107-E145 VanDerWaalsContact NE-O 3.15Å; R107-E145 PolarHBondContact NH2-O 3.15Å; R107-E150 IonicContact CZ-OE1 3.73Å; R107-E150 IonicContact CZ-OE2 2.75Å; R107-E150 IonicContact NH1-OE1 2.74Å; R107-E150 PolarHBondContact NH1-OE1 3.24Å; R107-E150 IonicContact NH2-OE1 3.98Å; R107-E150 PolarHBondContact NH2-OE1 3.05Å; R107-E150 IonicContact NH2-OE2 2.77Å; R107-E150 PolarHBondContact NH2-OE2 2.79Å
108Q98.2Very high97Very high115 Ų11533.5 Ų33.554%0.53717%0.17SC..Hα-helixtrans-59.9-37.7-179.1-168.860.648.400112.5K106 F110 L111 N112K106-Q108 PolarHBondContact O-N 2.88Å; K106-Q108 VanDerWaalsContact O-N 3.13Å; Q108-F110 PolarHBondContact O-N 3.1Å; Q108-L111 PolarHBondContact O-N 3.49Å; Q108-N112 PolarHBondContact NE2-OD1 3.41Å; Q108-N112 WeakPolarHBondContact O-CB 3.24Å; Q108-N112 VanDerWaalsContact O-CG 3.22Å; Q108-N112 PolarHBondContact O-N 2.8Å; Q108-N112 PolarHBondContact O-ND2 3.39Å
109S97.8Very high96.6Very high4 Ų434.5 Ų34.53%0.02818%0.175CC..Hα-helixtrans-65.2-3017972.70000113D30 D103 K106 R107D30-S109 WeakPolarHBondContact OD2-CA 3.46Å; D103-S109 PolarHBondContact N-OG 2.82Å; D103-S109 PolarHBondContact O-OG 3.13Å; K106-S109 PolarHBondContact O-N 2.99Å; K106-S109 PolarHBondContact O-OG 3.34Å; R107-S109 VanDerWaalsContact C-N 3.26Å; R107-S109 PolarHBondContact O-N 2.97Å
110F98.8Very high96.2Very high20 Ų2034.5 Ų34.59%0.08818%0.175CC..Hα-helixtrans-75.1-43173.5172.1-104000111.9Y102 R107 Q108 N112 I113 L133 V146 E150 C154Y102-F110 AromaticContact CD1-CD2 3.99Å; Y102-F110 HydrophobicContact CD1-CD2 3.99Å; Y102-F110 HydrophobicContact CD2-CB 3.76Å; Y102-F110 HydrophobicContact CD2-CD2 4.08Å; Y102-F110 HydrophobicContact CD2-CG 4.36Å; Y102-F110 AromaticContact CE1-CD2 3.89Å; Y102-F110 HydrophobicContact CE1-CD2 3.89Å; Y102-F110 HydrophobicContact CE1-CE2 4.41Å; Y102-F110 HydrophobicContact CE2-CB 4.29Å; Y102-F110 HydrophobicContact CE2-CD2 4.01Å; Y102-F110 HydrophobicContact CE2-CG 4.48Å; Y102-F110 HydrophobicContact CG-CB 4.02Å; Y102-F110 HydrophobicContact CG-CD2 4.07Å; Y102-F110 AromaticContact CZ-CD2 3.91Å; R107-F110 WeakPolarHBondContact O-CB 3.48Å; R107-F110 PolarHBondContact O-N 2.95Å; R107-F110 VanDerWaalsContact O-N 3.1Å; Q108-F110 PolarHBondContact O-N 3.1Å; F110-N112 VanDerWaalsContact C-N 3.26Å; F110-N112 PolarHBondContact O-N 2.88Å; F110-I113 VanDerWaalsContact O-CB 3.29Å; F110-I113 WeakPolarHBondContact O-CB 3.36Å; F110-I113 VanDerWaalsContact O-CG1 3.24Å; F110-I113 WeakPolarHBondContact O-CG1 3.46Å; F110-I113 PolarHBondContact O-N 3Å; F110-L133 HydrophobicContact CE2-CD2 4.39Å; F110-V146 HydrophobicContact CB-CG1 4.32Å; F110-V146 HydrophobicContact CB-CG2 3.77Å; F110-V146 HydrophobicContact CD1-CG1 4.04Å; F110-V146 HydrophobicContact CD1-CG2 4.41Å; F110-V146 HydrophobicContact CD2-CG1 3.96Å; F110-V146 HydrophobicContact CE1-CG1 4.33Å; F110-V146 HydrophobicContact CE2-CG1 4.26Å; F110-V146 HydrophobicContact CG-CG1 3.83Å; F110-V146 HydrophobicContact CG-CG2 4.14Å; F110-V146 HydrophobicContact CZ-CG1 4.42Å; F110-E150 HydrophobicContact CE1-CB 4.3Å; F110-E150 HydrophobicContact CZ-CB 4.09Å; F110-E150 WeakPolarHBondContact CZ-O 3.46Å; F110-C154 HydrophobicContact CE2-CB 3.75Å; F110-C154 HydrophobicContact CZ-CB 3.63Å
111L98.2Very high95.9Very high88 Ų8839.2 Ų39.246%0.46120%0.2SC..Hα-helixtrans-62.5-35.7177.3-64.8178.6000112R107 Q108 I113R107-L111 HydrophobicContact CG-CD1 4.08Å; R107-L111 HydrophobicContact CG-CG 4.21Å; R107-L111 PolarHBondContact O-N 2.83Å; Q108-L111 PolarHBondContact O-N 3.49Å; L111-I113 PolarHBondContact O-N 3.15Å
112N96.4Very high95.4Very high40 Ų4044 Ų4421%0.21423%0.229CC..THydrogen-bonded Turntrans-70.4-8.9179.3-70.9-9000113.9D30 Q108 F110 V114 T115 W116D30-N112 PolarHBondContact OD2-ND2 3.04Å; Q108-N112 PolarHBondContact NE2-OD1 3.41Å; Q108-N112 WeakPolarHBondContact O-CB 3.24Å; Q108-N112 VanDerWaalsContact O-CG 3.22Å; Q108-N112 PolarHBondContact O-N 2.8Å; Q108-N112 PolarHBondContact O-ND2 3.39Å; F110-N112 VanDerWaalsContact C-N 3.26Å; F110-N112 PolarHBondContact O-N 2.88Å; N112-V114 PolarHBondContact O-N 2.93Å; N112-T115 WeakPolarHBondContact O-CB 3.46Å; N112-T115 PolarHBondContact O-N 2.85Å; N112-W116 PolarHBondContact O-N 3.2Å; N112-W116 VanDerWaalsContact O-N 3.15Å
113I96.8Very high95Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-57-33.6176.2-66.8-56.6000111.9F100 F110 L111 T115 W116 L117 L133F100-I113 HydrophobicContact CB-CD1 4.13Å; F100-I113 HydrophobicContact CD1-CG2 4.34Å; F110-I113 VanDerWaalsContact O-CB 3.29Å; F110-I113 WeakPolarHBondContact O-CB 3.36Å; F110-I113 VanDerWaalsContact O-CG1 3.24Å; F110-I113 WeakPolarHBondContact O-CG1 3.46Å; F110-I113 PolarHBondContact O-N 3Å; L111-I113 PolarHBondContact O-N 3.15Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.41Å; I113-W116 PolarHBondContact O-N 2.85Å; I113-L117 HydrophobicContact CG2-CD1 3.96Å; I113-L117 HydrophobicContact CG2-CG 4.33Å; I113-L117 WeakPolarHBondContact O-CG 3.1Å; I113-L117 PolarHBondContact O-N 2.9Å; I113-L133 HydrophobicContact CD1-CD1 4.02Å; I113-L133 HydrophobicContact CG1-CD1 3.93Å; I113-L133 HydrophobicContact CG2-CD1 4Å
114V95.2Very high94.5Very high76 Ų7648.8 Ų48.846%0.46125%0.251SS..Hα-helixtrans-61-44.3175.8-178.70000111N112 W116 L117 D118N112-V114 PolarHBondContact O-N 2.93Å; V114-W116 VanDerWaalsContact C-N 3.32Å; V114-W116 PolarHBondContact O-N 3.14Å; V114-L117 WeakPolarHBondContact O-CB 3.43Å; V114-L117 PolarHBondContact O-N 2.83Å; V114-L117 VanDerWaalsContact O-N 3.14Å; V114-D118 PolarHBondContact O-N 3.41Å
115T92.7Very high93.9Very high73 Ų7353.3 Ų53.345%0.44828%0.275SS..Hα-helixtrans-62.9-39.7175.9-51.30000111.8N112 I113 L117 D118 E119N112-T115 WeakPolarHBondContact O-CB 3.46Å; N112-T115 PolarHBondContact O-N 2.85Å; I113-T115 VanDerWaalsContact C-N 3.34Å; I113-T115 PolarHBondContact O-N 3.41Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-D118 PolarHBondContact O-N 2.82Å; T115-E119 PolarHBondContact O-N 2.97Å; T115-E119 VanDerWaalsContact O-N 3.09Å
116W92.7Very high93.3Very high2 Ų254.9 Ų54.91%0.00828%0.28CS..Hα-helixtrans-66.5-35175.1-68.6111.1000112.3I28 G29 D30 R85 F100 N112 I113 V114 E119 V120I28-W116 HydrophobicContact CB-CE3 4.08Å; I28-W116 HydrophobicContact CB-CZ3 4.4Å; I28-W116 HydrophobicContact CD1-CB 4.24Å; G29-W116 VanDerWaalsContact CA-CE2 3.45Å; G29-W116 WeakPolarHBondContact O-CZ2 3.24Å; D30-W116 PolarHBondContact OD1-NE1 3.47Å; R85-W116 HydrophobicContact CG-CH2 4.26Å; R85-W116 HydrophobicContact CG-CZ3 4.39Å; R85-W116 VanDerWaalsContact NE-CH2 3.34Å; F100-W116 HydrophobicContact CD1-CB 3.88Å; F100-W116 HydrophobicContact CE1-CB 3.84Å; N112-W116 PolarHBondContact O-N 3.2Å; N112-W116 VanDerWaalsContact O-N 3.15Å; I113-W116 PolarHBondContact O-N 2.85Å; V114-W116 VanDerWaalsContact C-N 3.32Å; V114-W116 PolarHBondContact O-N 3.14Å; W116-E119 PolarHBondContact O-N 3.23Å; W116-V120 WeakPolarHBondContact O-CG2 3.3Å; W116-V120 PolarHBondContact O-N 3.34Å
117L93.7Very high92.2Very high7 Ų759 Ų594%0.03730%0.301CS..Hα-helixtrans-65.4-45.3175.4-80.1162.1000111F100 I113 V114 T115 E119 V120 N121 K131 N158 L160F100-L117 HydrophobicContact CD1-CG 4.46Å; F100-L117 HydrophobicContact CE1-CB 4.4Å; F100-L117 HydrophobicContact CE1-CD2 3.84Å; F100-L117 HydrophobicContact CE1-CG 3.78Å; F100-L117 HydrophobicContact CE2-CD2 3.94Å; F100-L117 HydrophobicContact CZ-CD2 3.43Å; F100-L117 VanDerWaalsContact CZ-CD2 3.43Å; F100-L117 HydrophobicContact CZ-CG 3.93Å; I113-L117 HydrophobicContact CG2-CD1 3.96Å; I113-L117 HydrophobicContact CG2-CG 4.33Å; I113-L117 WeakPolarHBondContact O-CG 3.1Å; I113-L117 PolarHBondContact O-N 2.9Å; V114-L117 WeakPolarHBondContact O-CB 3.43Å; V114-L117 PolarHBondContact O-N 2.83Å; V114-L117 VanDerWaalsContact O-N 3.14Å; T115-L117 VanDerWaalsContact C-N 3.33Å; L117-E119 VanDerWaalsContact C-N 3.28Å; L117-E119 PolarHBondContact O-N 3.16Å; L117-V120 PolarHBondContact O-N 2.96Å; L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 3.14Å; L117-N121 PolarHBondContact O-ND2 2.84Å; L117-K131 HydrophobicContact CD2-CD 4.44Å; L117-N158 HydrophobicContact CD1-CB 3.93Å; L117-L160 HydrophobicContact CD1-CD1 4.4Å; L117-L160 HydrophobicContact CD2-CD1 4.21Å; L117-L160 HydrophobicContact CD2-CD2 3.89Å
118D91.9Very high91.7Very high93 Ų9359.8 Ų59.850%0.49731%0.31SS..Hα-helixtrans-59.3-40.9176.2-68.4-24.3000111.5V114 T115 N121 T122V114-D118 PolarHBondContact O-N 3.41Å; T115-D118 PolarHBondContact O-N 2.82Å; D118-N121 PolarHBondContact O-N 3.11Å; D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 2.95Å; D118-T122 PolarHBondContact O-OG1 3.45Å
119E89Confident91.5Very high21 Ų2154.7 Ų54.710%0.09829%0.287CS..Hα-helixtrans-62.3-47.1176.1-168.4168.5160.400111.7R85 Y92 T115 W116 L117 N121 T122 Y123R85-E119 IonicContact CZ-OE2 3.8Å; R85-E119 IonicContact NH1-OE2 3.91Å; R85-E119 PolarHBondContact NH1-OE2 2.84Å; Y92-E119 HydrophobicContact CE1-CG 4.33Å; Y92-E119 HydrophobicContact CE2-CG 4.24Å; Y92-E119 PolarHBondContact OH-OE1 3.22Å; T115-E119 PolarHBondContact O-N 2.97Å; T115-E119 VanDerWaalsContact O-N 3.09Å; W116-E119 PolarHBondContact O-N 3.23Å; L117-E119 VanDerWaalsContact C-N 3.28Å; L117-E119 PolarHBondContact O-N 3.16Å; E119-N121 PolarHBondContact O-N 2.92Å; E119-T122 PolarHBondContact O-N 3.35Å; E119-Y123 HydrophobicContact CG-CD2 3.74Å; E119-Y123 HydrophobicContact CG-CE2 3.81Å; E119-Y123 WeakPolarHBondContact O-CD2 3.33Å; E119-Y123 PolarHBondContact O-N 2.89Å
120V91Very high91.5Very high2 Ų255.2 Ų55.21%0.01229%0.29CS..Hα-helixtrans-61.9-43.6175.3169.90000111.4I28 Y92 I98 F100 W116 L117 T122 Y123 C124I28-V120 HydrophobicContact CD1-CG2 3.27Å; Y92-V120 HydrophobicContact CD1-CG2 3.91Å; Y92-V120 HydrophobicContact CE1-CG2 3.71Å; I98-V120 HydrophobicContact CG1-CG1 4.14Å; I98-V120 HydrophobicContact CG2-CG2 4.03Å; F100-V120 HydrophobicContact CE1-CG2 4.13Å; F100-V120 HydrophobicContact CZ-CB 4.21Å; F100-V120 HydrophobicContact CZ-CG2 3.76Å; W116-V120 WeakPolarHBondContact O-CG2 3.3Å; W116-V120 PolarHBondContact O-N 3.34Å; L117-V120 PolarHBondContact O-N 2.96Å; V120-T122 PolarHBondContact O-N 2.91Å; V120-Y123 PolarHBondContact O-N 2.93Å; V120-C124 HydrophobicContact CG1-CB 3.95Å; V120-C124 WeakPolarHBondContact O-CA 3.32Å; V120-C124 WeakPolarHBondContact O-CB 3.29Å; V120-C124 PolarHBondContact O-N 3.37Å
121N90.5Very high91.4Very high99 Ų9956 Ų5653%0.52929%0.294SS..Hα-helixtrans-66.1-26.4179.7-67-23.3000112.1L117 D118 E119 K131L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 3.14Å; L117-N121 PolarHBondContact O-ND2 2.84Å; D118-N121 PolarHBondContact O-N 3.11Å; E119-N121 PolarHBondContact O-N 2.92Å; N121-K131 PolarHBondContact OD1-NZ 2.88Å
122T89.5Confident91.5Very high99 Ų9951.9 Ų51.961%0.60727%0.272SS*.Hα-helixtrans-78.5-43.1177.3-57.80000112.2D118 E119 V120D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 2.95Å; D118-T122 PolarHBondContact O-OG1 3.45Å; E119-T122 PolarHBondContact O-N 3.35Å; V120-T122 PolarHBondContact O-N 2.91Å
123Y88.5Confident91.6Very high86 Ų8650 Ų5034%0.33726%0.262SS..Hα-helixtrans-108.8-18.8-168.3-57.6-60.6000115D89 Y92 E119 V120 N125D89-Y123 HydrophobicContact CB-CD1 4.07Å; D89-Y123 HydrophobicContact CB-CE1 4.44Å; D89-Y123 VanDerWaalsContact CG-CE1 3.5Å; D89-Y123 WeakPolarHBondContact OD1-CE1 3.35Å; Y92-Y123 VanDerWaalsContact CB-CB 3.47Å; Y92-Y123 HydrophobicContact CD2-CD2 4.2Å; Y92-Y123 HydrophobicContact CD2-CG 4.39Å; Y92-Y123 HydrophobicContact CE2-CD2 4.47Å; E119-Y123 HydrophobicContact CG-CD2 3.74Å; E119-Y123 HydrophobicContact CG-CE2 3.81Å; E119-Y123 WeakPolarHBondContact O-CD2 3.33Å; E119-Y123 PolarHBondContact O-N 2.89Å; V120-Y123 PolarHBondContact O-N 2.93Å; Y123-N125 PolarHBondContact O-N 3.14Å
124C89.3Confident91.7Very high16 Ų1650 Ų5011%0.10826%0.262CS..  trans-86.8107.7175.4-169.60000110.3Y92 V120 K126Y92-C124 PolarHBondContact O-SG 3.06Å; V120-C124 HydrophobicContact CG1-CB 3.95Å; V120-C124 WeakPolarHBondContact O-CA 3.32Å; V120-C124 WeakPolarHBondContact O-CB 3.29Å; V120-C124 PolarHBondContact O-N 3.37Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 3.26Å
125N86Confident91.9Very high94 Ų9446.4 Ų46.450%0.50324%0.241SC..  trans-76.4-8.9178.162.9-22.6000114.3N94 Y123 Q127N94-N125 PolarHBondContact N-OD1 2.78Å; N94-N125 PolarHBondContact OD1-ND2 2.91Å; N94-N125 PolarHBondContact OD1-OD1 2.63Å; N94-N125 VanDerWaalsContact OD1-OD1 3.11Å; Y123-N125 PolarHBondContact O-N 3.14Å; N125-Q127 PolarHBondContact O-N 3.36Å
126K85.4Confident92.2Very high52 Ų5243 Ų4323%0.22622%0.22CC..  trans-83.198.9172-80.6-119.1176-173.60109.1Q96 C124 N128 A129 E189 L190Q96-K126 HydrophobicContact CG-CD 4.46Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 3.26Å; K126-N128 PolarHBondContact O-N 3.03Å; K126-N128 VanDerWaalsContact O-N 3.08Å; K126-A129 HydrophobicContact CB-CB 4.26Å; K126-A129 PolarHBondContact O-N 3.47Å; K126-A129 VanDerWaalsContact O-N 3.11Å; K126-E189 PolarHBondContact NZ-O 2.99Å; K126-L190 HydrophobicContact CD-CD2 3.65Å; K126-L190 PolarHBondContact NZ-O 3.21Å
127Q76.4Confident92.4Very high183 Ų18344.9 Ų44.986%0.85523%0.228SC*.THydrogen-bonded Turntrans-55.5-29-177.2-67.3-175.3-2.800113.6N125N125-Q127 PolarHBondContact O-N 3.36Å
128N86.7Confident92.7Very high86 Ų8645.1 Ų45.146%0.4623%0.229SC..THydrogen-bonded Turntrans-108.318-176.3-61.1-14.7000113.4K126 V130 E189 L190K126-N128 PolarHBondContact O-N 3.03Å; K126-N128 VanDerWaalsContact O-N 3.08Å; N128-V130 PolarHBondContact O-N 3.2Å; N128-V130 VanDerWaalsContact O-N 3.17Å; N128-E189 PolarHBondContact ND2-OE1 3.08Å; N128-L190 HydrophobicContact CB-CD2 4.14Å; N128-L190 VanDerWaalsContact O-CD1 3.26Å; N128-L190 WeakPolarHBondContact O-CD1 3.28Å
129A95Very high93Very high7 Ų743 Ų436%0.05822%0.217CC..  trans-50.9127.9176.300000109.8A95 Q96 K126 K131A95-A129 WeakPolarHBondContact O-CB 3.4Å; Q96-A129 CarbonylContact O-C 3.52Å; Q96-A129 WeakPolarHBondContact O-CA 3.4Å; K126-A129 HydrophobicContact CB-CB 4.26Å; K126-A129 PolarHBondContact O-N 3.47Å; K126-A129 VanDerWaalsContact O-N 3.11Å; A129-K131 WeakPolarHBondContact O-CG 3.33Å
130V97.6Very high93.4Very high15 Ų1544.9 Ų44.99%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-72.7135.6-180-176.40000108.4Q96 G97 I98 N128 L161 L180 K183 I184 L190Q96-V130 PolarHBondContact O-N 3.48Å; G97-V130 CarbonylContact C-O 3.5Å; G97-V130 VanDerWaalsContact CA-O 3.28Å; G97-V130 WeakPolarHBondContact CA-O 3.42Å; I98-V130 PolarHBondContact N-O 2.81Å; N128-V130 PolarHBondContact O-N 3.2Å; N128-V130 VanDerWaalsContact O-N 3.17Å; V130-L161 HydrophobicContact CG1-CD1 4.14Å; V130-L180 HydrophobicContact CB-CD1 3.96Å; V130-L180 HydrophobicContact CG1-CD1 3.66Å; V130-K183 HydrophobicContact CG1-CB 3.81Å; V130-K183 HydrophobicContact CG1-CG 3.57Å; V130-K183 HydrophobicContact CG2-CB 4.44Å; V130-K183 HydrophobicContact CG2-CG 4.08Å; V130-I184 HydrophobicContact CB-CG1 3.74Å; V130-I184 HydrophobicContact CG2-CB 4.34Å; V130-I184 HydrophobicContact CG2-CG1 3.57Å; V130-L190 HydrophobicContact CG2-CD1 3.71Å
131K97.9Very high93.7Very high38 Ų3849.2 Ų49.217%0.16525%0.247CC..EExtended strand (participates in β ladder)trans-124.4136.9-175.3-59.2168.9-169.1172.40109.7I98 F100 L117 N121 A129 L160 L161I98-K131 HydrophobicContact CB-CG 4.19Å; I98-K131 HydrophobicContact CG1-CG 4.41Å; I98-K131 WeakPolarHBondContact O-CA 3.5Å; F100-K131 HydrophobicContact CD2-CB 4.38Å; F100-K131 HydrophobicContact CE2-CB 3.89Å; F100-K131 HydrophobicContact CE2-CD 4.08Å; F100-K131 HydrophobicContact CE2-CG 3.96Å; L117-K131 HydrophobicContact CD2-CD 4.44Å; N121-K131 PolarHBondContact OD1-NZ 2.88Å; A129-K131 WeakPolarHBondContact O-CG 3.33Å; K131-L160 HydrophobicContact CB-CD2 3.41Å; K131-L160 VanDerWaalsContact CB-CD2 3.41Å; K131-L160 HydrophobicContact CD-CD2 3.7Å; K131-L160 HydrophobicContact CG-CD2 4.17Å; K131-L160 WeakPolarHBondContact O-CA 3.21Å; K131-L161 PolarHBondContact O-N 2.84Å
132I98.7Very high94.1Very high0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-126.2134.7172.7-173163.8000110.1I98 I99 F100 V134 L161 I163 A176 L180I98-I132 PolarHBondContact O-N 2.96Å; I99-I132 HydrophobicContact CB-CG2 4.12Å; I99-I132 HydrophobicContact CG1-CG2 3.7Å; I99-I132 HydrophobicContact CG2-CG2 4.13Å; F100-I132 PolarHBondContact N-O 2.79Å; I132-V134 HydrophobicContact CG1-CG2 4.25Å; I132-V134 HydrophobicContact CG2-CG2 4.31Å; I132-L161 HydrophobicContact CB-CB 3.88Å; I132-L161 HydrophobicContact CD1-CB 3.99Å; I132-L161 HydrophobicContact CG1-CB 3.69Å; I132-I163 HydrophobicContact CD1-CB 4.36Å; I132-I163 HydrophobicContact CD1-CG2 3.6Å; I132-I163 HydrophobicContact CG1-CG2 4.16Å; I132-A176 HydrophobicContact CD1-CB 4.48Å; I132-L180 HydrophobicContact CB-CD1 4.38Å; I132-L180 HydrophobicContact CG2-CB 4.43Å; I132-L180 HydrophobicContact CG2-CD1 4.05Å; I132-L180 HydrophobicContact CG2-CD2 4.33Å
133L98.9Very high94.5Very high0 Ų053.4 Ų53.40%025%0.251CS..EExtended strand (participates in β ladder)trans-94.3122.1170.9-179.262.2000109.5F100 Y102 F110 I113 C154 A155 L160 L161 F162 I163F100-L133 HydrophobicContact CB-CD1 3.89Å; Y102-L133 HydrophobicContact CD1-CD1 3.71Å; Y102-L133 HydrophobicContact CD1-CG 4.19Å; Y102-L133 HydrophobicContact CE1-CD1 4Å; Y102-L133 HydrophobicContact CE1-CD2 4.25Å; Y102-L133 HydrophobicContact CE1-CG 3.95Å; F110-L133 HydrophobicContact CE2-CD2 4.39Å; I113-L133 HydrophobicContact CD1-CD1 4.02Å; I113-L133 HydrophobicContact CG1-CD1 3.93Å; I113-L133 HydrophobicContact CG2-CD1 4Å; L133-C154 HydrophobicContact CD2-CB 4.06Å; L133-A155 HydrophobicContact CB-CB 4.35Å; L133-A155 HydrophobicContact CD2-CB 4.31Å; L133-L160 HydrophobicContact CB-CB 4.48Å; L133-L160 HydrophobicContact CB-CD1 4.08Å; L133-L161 PolarHBondContact N-O 2.74Å; L133-F162 HydrophobicContact CB-CD2 4.23Å; L133-F162 HydrophobicContact CD2-CD2 4.15Å; L133-F162 HydrophobicContact CG-CD2 4.14Å; L133-F162 WeakPolarHBondContact O-CA 3.41Å; L133-F162 WeakPolarHBondContact O-CD2 3.32Å; L133-I163 PolarHBondContact O-N 3.44Å
134V98.9Very high95Very high2 Ų252.1 Ų52.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-114112.6-177178.50000110.3L38 I99 F100 V101 Y102 I132 N136 I163 T165 A176L38-V134 HydrophobicContact CD1-CG1 4.05Å; I99-V134 HydrophobicContact CG2-CB 4.3Å; I99-V134 HydrophobicContact CG2-CG2 3.6Å; F100-V134 PolarHBondContact O-N 3.49Å; V101-V134 WeakPolarHBondContact CA-O 3.36Å; V101-V134 HydrophobicContact CG2-CB 4.46Å; Y102-V134 WeakPolarHBondContact CD1-O 3.46Å; Y102-V134 PolarHBondContact N-O 2.93Å; I132-V134 HydrophobicContact CG1-CG2 4.25Å; I132-V134 HydrophobicContact CG2-CG2 4.31Å; V134-N136 PolarHBondContact O-N 2.86Å; V134-I163 VanDerWaalsContact CA-O 3.28Å; V134-I163 WeakPolarHBondContact CA-O 3.36Å; V134-I163 HydrophobicContact CG2-CG2 3.92Å; V134-T165 HydrophobicContact CG1-CG2 3.71Å; V134-T165 WeakPolarHBondContact CG1-OG1 3.27Å; V134-A176 HydrophobicContact CG2-CB 4.44Å
135G98.9Very high95.4Very high0 Ų056.5 Ų56.50%026%0.264CS..EExtended strand (participates in β ladder)trans-83.5102.1166.800000110.2I163 E164 T165G135-I163 PolarHBondContact N-O 2.85Å; G135-E164 CarbonylContact O-C 3.54Å; G135-E164 VanDerWaalsContact O-CA 3.23Å; G135-E164 WeakPolarHBondContact O-CA 3.49Å; G135-T165 PolarHBondContact O-N 3.01Å
136N98.8Very high96Very high2 Ų252 Ų521%0.01124%0.24CC..EExtended strand (participates in β ladder)trans-92.8164.5-176.4-171.134000112.3V33 L38 V101 Y102 I104 V134 T165 A167V33-N136 PolarHBondContact O-ND2 3.49Å; L38-N136 HydrophobicContact CD1-CB 4.15Å; V101-N136 HydrophobicContact CG1-CB 3.85Å; Y102-N136 PolarHBondContact O-N 3.38Å; I104-N136 WeakPolarHBondContact CG1-O 3.48Å; I104-N136 WeakPolarHBondContact CG2-O 3.31Å; I104-N136 PolarHBondContact N-O 2.74Å; V134-N136 PolarHBondContact O-N 2.86Å; N136-T165 CarbonylContact C-O 3.57Å; N136-T165 VanDerWaalsContact CA-O 3.28Å; N136-T165 WeakPolarHBondContact CA-O 3.37Å; N136-T165 PolarHBondContact OD1-O 3.29Å; N136-T165 PolarHBondContact OD1-OG1 3.05Å; N136-A167 PolarHBondContact OD1-N 3.46Å
137K98.4Very high96.6Very high41 Ų4156.5 Ų56.518%0.17826%0.26CS..  trans71.637.3179.2-47.5-168.2-167.8170.10114.3G32 D103 I104 D139 Q140 T165G32-K137 PolarHBondContact O-NZ 3.22Å; D103-K137 WeakPolarHBondContact OD2-CD 3.28Å; D103-K137 VanDerWaalsContact OD2-CE 3.23Å; D103-K137 WeakPolarHBondContact OD2-CE 3.18Å; D103-K137 IonicContact OD2-NZ 3.05Å; D103-K137 PolarHBondContact OD2-NZ 2.8Å; I104-K137 WeakPolarHBondContact CD1-O 3.49Å; I104-K137 WeakPolarHBondContact CG1-O 3.24Å; K137-D139 WeakPolarHBondContact CA-OD1 3.45Å; K137-D139 PolarHBondContact O-N 2.85Å; K137-D139 VanDerWaalsContact O-N 3.1Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 PolarHBondContact O-N 3.05Å; K137-T165 PolarHBondContact N-O 3Å
138I98.6Very high97.7Very high11 Ų1150.4 Ų50.46%0.05624%0.235CC..G310 helixtrans-64.9-8.9174.266.8-179.3000114.5I104 Q140 Q141 E164 T165 E171I104-I138 HydrophobicContact CD1-CB 4.47Å; I104-I138 HydrophobicContact CD1-CG2 4.17Å; I104-I138 HydrophobicContact CG2-CG2 4.32Å; I138-Q140 PolarHBondContact O-N 2.85Å; I138-Q141 VanDerWaalsContact CB-NE2 3.34Å; I138-Q141 VanDerWaalsContact O-CG 3.29Å; I138-Q141 WeakPolarHBondContact O-CG 3.1Å; I138-Q141 PolarHBondContact O-NE2 3.22Å; I138-E164 HydrophobicContact CD1-CB 4.44Å; I138-E164 HydrophobicContact CG2-CB 3.65Å; I138-E164 HydrophobicContact CG2-CG 4.25Å; I138-T165 WeakPolarHBondContact CG1-O 3.48Å; I138-T165 PolarHBondContact N-O 3.02Å; I138-E171 HydrophobicContact CD1-CB 4.28Å; I138-E171 HydrophobicContact CD1-CG 3.96Å
139D98.5Very high98.3Very high48 Ų4849.6 Ų49.626%0.25724%0.24SC..G310 helixtrans-66.8-11166.255.5-75.3000113.5K137 S166 K168 T169K137-D139 WeakPolarHBondContact CA-OD1 3.45Å; K137-D139 PolarHBondContact O-N 2.85Å; K137-D139 VanDerWaalsContact O-N 3.1Å; D139-S166 VanDerWaalsContact CG-OG 3.32Å; D139-S166 WeakPolarHBondContact OD1-CB 3.4Å; D139-S166 PolarHBondContact OD1-OG 3.1Å; D139-K168 WeakPolarHBondContact OD2-CD 3.48Å; D139-T169 HydrophobicContact CB-CG2 4Å
140Q97.9Very high98.4Very high62 Ų6252.1 Ų52.129%0.2925%0.251SS..G310 helixtrans-110.543-178.9-60.2-170.1-13.800112.4T105 K137 I138 E142 Y143T105-Q140 HydrophobicContact CG2-CB 3.61Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 PolarHBondContact O-N 3.05Å; I138-Q140 PolarHBondContact O-N 2.85Å; Q140-E142 VanDerWaalsContact C-OE2 3.28Å; Q140-E142 PolarHBondContact O-N 3.18Å; Q140-Y143 HydrophobicContact CB-CD2 4.19Å; Q140-Y143 PolarHBondContact O-N 2.98Å
141Q97.5Very high98.5Very high93 Ų9351.4 Ų51.444%0.43525%0.246SC..G310 helixtrans-55.6-35-176-68.3-58.9-34.600113.6I138 Y143 R144I138-Q141 VanDerWaalsContact CB-NE2 3.34Å; I138-Q141 VanDerWaalsContact O-CG 3.29Å; I138-Q141 WeakPolarHBondContact O-CG 3.1Å; I138-Q141 PolarHBondContact O-NE2 3.22Å; Q141-Y143 PolarHBondContact O-N 3.36Å; Q141-R144 VanDerWaalsContact NE2-NH2 3.13Å; Q141-R144 VanDerWaalsContact O-CB 3.25Å; Q141-R144 WeakPolarHBondContact O-CB 3.43Å; Q141-R144 PolarHBondContact O-N 3.41Å; Q141-R144 VanDerWaalsContact O-N 3.1Å; Q141-R144 VanDerWaalsContact OE1-CZ 3.31Å
142E98Very high98.5Very high135 Ų13553 Ų5363%0.63126%0.256SS*.G310 helixtrans-63.8-20.6-179.669.6-84.9-154.600113.1Q140Q140-E142 VanDerWaalsContact C-OE2 3.28Å; Q140-E142 PolarHBondContact O-N 3.18Å
143Y98.4Very high98.5Very high151 Ų15161 Ų6159%0.59229%0.286SS*.G310 helixtrans-107.512.3176.9-53-68.6000112.8T105 Q140 Q141 E145T105-Y143 WeakPolarHBondContact CA-O 3.06Å; T105-Y143 WeakPolarHBondContact CB-O 3.26Å; Q140-Y143 HydrophobicContact CB-CD2 4.19Å; Q140-Y143 PolarHBondContact O-N 2.98Å; Q141-Y143 PolarHBondContact O-N 3.36Å; Y143-E145 PolarHBondContact O-N 2.97Å
144R98.7Very high98.5Very high58 Ų5861.8 Ų61.822%0.21929%0.292CS..  trans-61.1123-176.7179.4-178.4-74.9-94.813111.8I104 Q141 V146 E164I104-R144 HydrophobicContact CD1-CB 4.21Å; I104-R144 HydrophobicContact CD1-CG 4.27Å; Q141-R144 VanDerWaalsContact NE2-NH2 3.13Å; Q141-R144 VanDerWaalsContact O-CB 3.25Å; Q141-R144 WeakPolarHBondContact O-CB 3.43Å; Q141-R144 PolarHBondContact O-N 3.41Å; Q141-R144 VanDerWaalsContact O-N 3.1Å; Q141-R144 VanDerWaalsContact OE1-CZ 3.31Å; R144-V146 VanDerWaalsContact CD-O 3.24Å; R144-V146 WeakPolarHBondContact CD-O 3.28Å; R144-V146 WeakPolarHBondContact CG-O 3.4Å; R144-V146 PolarHBondContact NH1-O 2.88Å; R144-E164 IonicContact CZ-OE1 3.85Å; R144-E164 IonicContact CZ-OE2 3.54Å; R144-E164 IonicContact NH1-OE1 3.17Å; R144-E164 PolarHBondContact NH1-OE1 3.35Å; R144-E164 IonicContact NH1-OE2 2.75Å; R144-E164 IonicContact NH2-OE1 2.76Å; R144-E164 PolarHBondContact NH2-OE1 2.93Å; R144-E164 IonicContact NH2-OE2 3.47Å; R144-E164 PolarHBondContact NH2-OE2 3.35Å
145E98.7Very high98.5Very high108 Ų10861.8 Ų61.851%0.50529%0.292SS..  trans-105.2-18.3172-64.7-172.3175.400112.8I104 T105 R107 Y143I104-E145 PolarHBondContact O-N 3.31Å; T105-E145 WeakPolarHBondContact O-CG 3.34Å; R107-E145 HydrophobicContact CB-CB 4.21Å; R107-E145 WeakPolarHBondContact CB-OE2 3.49Å; R107-E145 PolarHBondContact N-OE2 3.49Å; R107-E145 PolarHBondContact NE-O 2.99Å; R107-E145 VanDerWaalsContact NE-O 3.15Å; R107-E145 PolarHBondContact NH2-O 3.15Å; Y143-E145 PolarHBondContact O-N 2.97Å
146V98.7Very high98.4Very high0 Ų068.3 Ų68.30%032%0.322CS..SBendtrans-115115.2-179.5-172.60000110.6Y102 I104 F110 R144 E150Y102-V146 HydrophobicContact CD2-CG2 4.46Å; Y102-V146 HydrophobicContact CE2-CB 3.91Å; Y102-V146 HydrophobicContact CE2-CG1 3.76Å; Y102-V146 HydrophobicContact CE2-CG2 4.22Å; I104-V146 PolarHBondContact O-N 3.32Å; I104-V146 VanDerWaalsContact O-N 3.08Å; F110-V146 HydrophobicContact CB-CG1 4.32Å; F110-V146 HydrophobicContact CB-CG2 3.77Å; F110-V146 HydrophobicContact CD1-CG1 4.04Å; F110-V146 HydrophobicContact CD1-CG2 4.41Å; F110-V146 HydrophobicContact CD2-CG1 3.96Å; F110-V146 HydrophobicContact CE1-CG1 4.33Å; F110-V146 HydrophobicContact CE2-CG1 4.26Å; F110-V146 HydrophobicContact CG-CG1 3.83Å; F110-V146 HydrophobicContact CG-CG2 4.14Å; F110-V146 HydrophobicContact CZ-CG1 4.42Å; R144-V146 VanDerWaalsContact CD-O 3.24Å; R144-V146 WeakPolarHBondContact CD-O 3.28Å; R144-V146 WeakPolarHBondContact CG-O 3.4Å; R144-V146 PolarHBondContact NH1-O 2.88Å; V146-E150 HydrophobicContact CG1-CB 4.25Å
147K98.5Very high98.4Very high147 Ų14773.5 Ų73.564%0.63935%0.35SS*.  trans-71.3143.9177.7-62.3179.2-179.2177.90109.7A149 E150 G151K147-A149 PolarHBondContact O-N 3.24Å; K147-A149 VanDerWaalsContact O-N 3.14Å; K147-E150 HydrophobicContact CB-CG 4.24Å; K147-E150 WeakPolarHBondContact CB-OE2 3.48Å; K147-E150 PolarHBondContact N-OE2 2.77Å; K147-E150 WeakPolarHBondContact O-CB 3.39Å; K147-E150 PolarHBondContact O-N 2.68Å; K147-G151 PolarHBondContact O-N 2.88Å
148T98.6Very high98.3Very high54 Ų5474.6 Ų74.633%0.33136%0.358SS..Hα-helixtrans-53.3-37.5176.1-49.30000112.2E150 G151 I152 F162 E164T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 2.87Å; T148-G151 PolarHBondContact O-N 2.81Å; T148-G151 VanDerWaalsContact O-N 3.17Å; T148-I152 HydrophobicContact CG2-CD1 4.07Å; T148-I152 HydrophobicContact CG2-CG1 4.47Å; T148-I152 WeakPolarHBondContact O-CG1 3.42Å; T148-I152 PolarHBondContact O-N 2.88Å; T148-F162 HydrophobicContact CG2-CE1 3.86Å; T148-F162 HydrophobicContact CG2-CZ 4.25Å; T148-E164 WeakPolarHBondContact CA-OE1 3.3Å; T148-E164 WeakPolarHBondContact CB-OE1 3.09Å; T148-E164 HydrophobicContact CG2-CG 4.45Å; T148-E164 PolarHBondContact OG1-OE1 2.74Å; T148-E164 PolarHBondContact OG1-OE2 2.97Å
149A98.6Very high98.1Very high69 Ų6979.5 Ų79.557%0.5739%0.393SS*.Hα-helixtrans-60.9-31.217600000113.8K147 R153K147-A149 PolarHBondContact O-N 3.24Å; K147-A149 VanDerWaalsContact O-N 3.14Å; A149-R153 VanDerWaalsContact O-CB 3.31Å; A149-R153 WeakPolarHBondContact O-CB 3.5Å; A149-R153 PolarHBondContact O-N 2.95Å
150E98.6Very high98.1Very high61 Ų6178 Ų7829%0.28539%0.385SS..Hα-helixtrans-73.6-40175.8-62.6173.78200111.2R107 F110 V146 K147 T148 R153 C154R107-E150 IonicContact CZ-OE1 3.73Å; R107-E150 IonicContact CZ-OE2 2.75Å; R107-E150 IonicContact NH1-OE1 2.74Å; R107-E150 PolarHBondContact NH1-OE1 3.24Å; R107-E150 IonicContact NH2-OE1 3.98Å; R107-E150 PolarHBondContact NH2-OE1 3.05Å; R107-E150 IonicContact NH2-OE2 2.77Å; R107-E150 PolarHBondContact NH2-OE2 2.79Å; F110-E150 HydrophobicContact CE1-CB 4.3Å; F110-E150 HydrophobicContact CZ-CB 4.09Å; F110-E150 WeakPolarHBondContact CZ-O 3.46Å; V146-E150 HydrophobicContact CG1-CB 4.25Å; K147-E150 HydrophobicContact CB-CG 4.24Å; K147-E150 WeakPolarHBondContact CB-OE2 3.48Å; K147-E150 PolarHBondContact N-OE2 2.77Å; K147-E150 WeakPolarHBondContact O-CB 3.39Å; K147-E150 PolarHBondContact O-N 2.68Å; T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 2.87Å; E150-R153 PolarHBondContact O-N 2.79Å; E150-C154 VanDerWaalsContact O-CB 3.3Å; E150-C154 WeakPolarHBondContact O-CB 3.36Å; E150-C154 PolarHBondContact O-N 3.34Å
151G98.6Very high98.1Very high0 Ų077.6 Ų77.60%039%0.385CS..Hα-helixtrans-59.9-48.7172.800000112.3K147 T148 R153 C154 A155 F162K147-G151 PolarHBondContact O-N 2.88Å; T148-G151 PolarHBondContact O-N 2.81Å; T148-G151 VanDerWaalsContact O-N 3.17Å; G151-R153 PolarHBondContact O-N 3.2Å; G151-C154 PolarHBondContact O-N 2.56Å; G151-A155 WeakPolarHBondContact O-CB 3.31Å; G151-A155 PolarHBondContact O-N 2.87Å; G151-F162 VanDerWaalsContact CA-CE2 3.47Å
152I98.7Very high98.2Very high70 Ų7075.4 Ų75.436%0.35937%0.374SS..Hα-helixtrans-57.5-49.2175.4-67.1167.5000110.7T148 A155 Q156 F162T148-I152 HydrophobicContact CG2-CD1 4.07Å; T148-I152 HydrophobicContact CG2-CG1 4.47Å; T148-I152 WeakPolarHBondContact O-CG1 3.42Å; T148-I152 PolarHBondContact O-N 2.88Å; I152-A155 PolarHBondContact O-N 2.7Å; I152-Q156 HydrophobicContact CG2-CG 4.46Å; I152-Q156 WeakPolarHBondContact O-CG 3.36Å; I152-Q156 PolarHBondContact O-N 3.16Å; I152-F162 HydrophobicContact CB-CD1 4.42Å; I152-F162 HydrophobicContact CD1-CE1 4.42Å; I152-F162 HydrophobicContact CG1-CD1 3.45Å; I152-F162 VanDerWaalsContact CG1-CD1 3.45Å; I152-F162 HydrophobicContact CG1-CE1 3.55Å; I152-F162 HydrophobicContact CG1-CG 4.29Å; I152-F162 HydrophobicContact CG1-CZ 4.46Å
153R98.6Very high98.2Very high168 Ų16869.8 Ų69.863%0.63435%0.348SS*.Hα-helixtrans-61.9-46-180-178.7177177177.22.5111.8A149 E150 G151 A155 Q156 D157A149-R153 VanDerWaalsContact O-CB 3.31Å; A149-R153 WeakPolarHBondContact O-CB 3.5Å; A149-R153 PolarHBondContact O-N 2.95Å; E150-R153 PolarHBondContact O-N 2.79Å; G151-R153 PolarHBondContact O-N 3.2Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 2.71Å; R153-Q156 PolarHBondContact O-N 3.45Å; R153-D157 IonicContact NE-OD2 2.69Å; R153-D157 WeakPolarHBondContact O-CB 3.43Å; R153-D157 VanDerWaalsContact O-CG 3.24Å; R153-D157 PolarHBondContact O-N 2.88Å
154C98.4Very high98.3Very high18 Ų1863.7 Ų63.712%0.12233%0.325CS..Hα-helixtrans-59.3-42.9177.4179.50000111.8F110 L133 E150 G151 D157 N158F110-C154 HydrophobicContact CE2-CB 3.75Å; F110-C154 HydrophobicContact CZ-CB 3.63Å; L133-C154 HydrophobicContact CD2-CB 4.06Å; E150-C154 VanDerWaalsContact O-CB 3.3Å; E150-C154 WeakPolarHBondContact O-CB 3.36Å; E150-C154 PolarHBondContact O-N 3.34Å; G151-C154 PolarHBondContact O-N 2.56Å; C154-D157 PolarHBondContact O-N 2.83Å; C154-N158 WeakPolarHBondContact O-CB 3.39Å; C154-N158 PolarHBondContact O-N 3.48Å; C154-N158 VanDerWaalsContact O-N 3.15Å; C154-N158 PolarHBondContact O-ND2 3.29Å
155A98.5Very high98.3Very high2 Ų261 Ų612%0.01731%0.314CS..Hα-helixtrans-64.1-43.6176.400000112.2L133 G151 I152 R153 N158 S159 L160 F162L133-A155 HydrophobicContact CB-CB 4.35Å; L133-A155 HydrophobicContact CD2-CB 4.31Å; G151-A155 WeakPolarHBondContact O-CB 3.31Å; G151-A155 PolarHBondContact O-N 2.87Å; I152-A155 PolarHBondContact O-N 2.7Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 2.71Å; A155-N158 CarbonylContact O-C 3.48Å; A155-N158 PolarHBondContact O-N 3.49Å; A155-S159 PolarHBondContact O-N 3.35Å; A155-L160 HydrophobicContact CB-CB 4.09Å; A155-L160 PolarHBondContact O-N 3.28Å; A155-F162 HydrophobicContact CB-CB 3.63Å; A155-F162 HydrophobicContact CB-CD2 4.41Å; A155-F162 HydrophobicContact CB-CG 4.35Å
156Q98.1Very high98.3Very high136 Ų13655.8 Ų55.864%0.63629%0.29SS*.Hα-helixtrans-60.6-49.5175.2-72.7172.7-14.700112I152 R153 N158 S159I152-Q156 HydrophobicContact CG2-CG 4.46Å; I152-Q156 WeakPolarHBondContact O-CG 3.36Å; I152-Q156 PolarHBondContact O-N 3.16Å; R153-Q156 PolarHBondContact O-N 3.45Å; Q156-N158 PolarHBondContact O-N 2.89Å; Q156-N158 VanDerWaalsContact O-N 3.16Å; Q156-S159 PolarHBondContact O-N 3.39Å
157D97.7Very high98.2Very high112 Ų11256 Ų5660%0.59929%0.292SS*.Hα-helixtrans-61.2-26.2-178.7-70.1-15.9000112R153 C154R153-D157 IonicContact NE-OD2 2.69Å; R153-D157 WeakPolarHBondContact O-CB 3.43Å; R153-D157 VanDerWaalsContact O-CG 3.24Å; R153-D157 PolarHBondContact O-N 2.88Å; C154-D157 PolarHBondContact O-N 2.83Å
158N95.9Very high98.2Very high64 Ų6453.4 Ų53.434%0.34228%0.28SS..THydrogen-bonded Turntrans-111.210.6-177.7-65.6-80.9000114.2L117 C154 A155 Q156 L160L117-N158 HydrophobicContact CD1-CB 3.93Å; C154-N158 WeakPolarHBondContact O-CB 3.39Å; C154-N158 PolarHBondContact O-N 3.48Å; C154-N158 VanDerWaalsContact O-N 3.15Å; C154-N158 PolarHBondContact O-ND2 3.29Å; A155-N158 CarbonylContact O-C 3.48Å; A155-N158 PolarHBondContact O-N 3.49Å; Q156-N158 PolarHBondContact O-N 2.89Å; Q156-N158 VanDerWaalsContact O-N 3.16Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 HydrophobicContact CB-CD1 3.94Å; N158-L160 HydrophobicContact CB-CD2 4.21Å; N158-L160 HydrophobicContact CB-CG 3.79Å; N158-L160 VanDerWaalsContact O-CD2 3.25Å; N158-L160 WeakPolarHBondContact O-CD2 3.23Å; N158-L160 PolarHBondContact O-N 3.29Å
159S95.6Very high98.2Very high114 Ų11454.6 Ų54.680%0.79729%0.288SS*.THydrogen-bonded Turntrans54.445.2-178.5-56.70000113.9A155 Q156A155-S159 PolarHBondContact O-N 3.35Å; Q156-S159 PolarHBondContact O-N 3.39Å
160L98Very high98.2Very high17 Ų1753.6 Ų53.69%0.08928%0.276CS..  trans-108.3152.2177.3-39.1176.2000109.8L117 K131 L133 A155 N158L117-L160 HydrophobicContact CD1-CD1 4.4Å; L117-L160 HydrophobicContact CD2-CD1 4.21Å; L117-L160 HydrophobicContact CD2-CD2 3.89Å; K131-L160 HydrophobicContact CB-CD2 3.41Å; K131-L160 VanDerWaalsContact CB-CD2 3.41Å; K131-L160 HydrophobicContact CD-CD2 3.7Å; K131-L160 HydrophobicContact CG-CD2 4.17Å; K131-L160 WeakPolarHBondContact O-CA 3.21Å; L133-L160 HydrophobicContact CB-CB 4.48Å; L133-L160 HydrophobicContact CB-CD1 4.08Å; A155-L160 HydrophobicContact CB-CB 4.09Å; A155-L160 PolarHBondContact O-N 3.28Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 HydrophobicContact CB-CD1 3.94Å; N158-L160 HydrophobicContact CB-CD2 4.21Å; N158-L160 HydrophobicContact CB-CG 3.79Å; N158-L160 VanDerWaalsContact O-CD2 3.25Å; N158-L160 WeakPolarHBondContact O-CD2 3.23Å; N158-L160 PolarHBondContact O-N 3.29Å
161L98.4Very high98.2Very high53 Ų5355.4 Ų55.428%0.27729%0.285SS..EExtended strand (participates in β ladder)trans-67.1161.3158.7-58.6175.4000109.4V130 K131 I132 L133 K183V130-L161 HydrophobicContact CG1-CD1 4.14Å; K131-L161 PolarHBondContact O-N 2.84Å; I132-L161 HydrophobicContact CB-CB 3.88Å; I132-L161 HydrophobicContact CD1-CB 3.99Å; I132-L161 HydrophobicContact CG1-CB 3.69Å; L133-L161 PolarHBondContact N-O 2.74Å; L161-K183 HydrophobicContact CD1-CB 4.12Å; L161-K183 HydrophobicContact CD1-CG 4.28Å
162F98.8Very high98.2Very high46 Ų4658.3 Ų58.320%0.20230%0.301CS..EExtended strand (participates in β ladder)trans-139135.2177.1177.7-103.9000112Y102 L133 T148 G151 I152 A155 E164Y102-F162 HydrophobicContact CE1-CE2 4.34Å; L133-F162 HydrophobicContact CB-CD2 4.23Å; L133-F162 HydrophobicContact CD2-CD2 4.15Å; L133-F162 HydrophobicContact CG-CD2 4.14Å; L133-F162 WeakPolarHBondContact O-CA 3.41Å; L133-F162 WeakPolarHBondContact O-CD2 3.32Å; T148-F162 HydrophobicContact CG2-CE1 3.86Å; T148-F162 HydrophobicContact CG2-CZ 4.25Å; G151-F162 VanDerWaalsContact CA-CE2 3.47Å; I152-F162 HydrophobicContact CB-CD1 4.42Å; I152-F162 HydrophobicContact CD1-CE1 4.42Å; I152-F162 HydrophobicContact CG1-CD1 3.45Å; I152-F162 VanDerWaalsContact CG1-CD1 3.45Å; I152-F162 HydrophobicContact CG1-CE1 3.55Å; I152-F162 HydrophobicContact CG1-CG 4.29Å; I152-F162 HydrophobicContact CG1-CZ 4.46Å; A155-F162 HydrophobicContact CB-CB 3.63Å; A155-F162 HydrophobicContact CB-CD2 4.41Å; A155-F162 HydrophobicContact CB-CG 4.35Å; F162-E164 HydrophobicContact CE1-CG 4.04Å; F162-E164 HydrophobicContact CE2-CG 4.48Å; F162-E164 HydrophobicContact CZ-CG 3.6Å
163I98.8Very high98.2Very high17 Ų1755 Ų559%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-151.5147171.6-165.9165.6000110.7I132 L133 V134 G135 T165 N172 V175 A176I132-I163 HydrophobicContact CD1-CB 4.36Å; I132-I163 HydrophobicContact CD1-CG2 3.6Å; I132-I163 HydrophobicContact CG1-CG2 4.16Å; L133-I163 PolarHBondContact O-N 3.44Å; V134-I163 VanDerWaalsContact CA-O 3.28Å; V134-I163 WeakPolarHBondContact CA-O 3.36Å; V134-I163 HydrophobicContact CG2-CG2 3.92Å; G135-I163 PolarHBondContact N-O 2.85Å; I163-T165 HydrophobicContact CG2-CG2 4.17Å; I163-N172 HydrophobicContact CD1-CB 3.8Å; I163-N172 HydrophobicContact CG1-CB 4.01Å; I163-V175 HydrophobicContact CD1-CB 3.9Å; I163-V175 HydrophobicContact CD1-CG1 3.63Å; I163-A176 HydrophobicContact CD1-CB 4.35Å; I163-A176 HydrophobicContact CG2-CB 3.57Å
164E98.8Very high98.1Very high24 Ų2454.5 Ų54.511%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-100.6139170.1-73.7-167.2167.800110.3G135 I138 R144 T148 F162 N172G135-E164 CarbonylContact O-C 3.54Å; G135-E164 VanDerWaalsContact O-CA 3.23Å; G135-E164 WeakPolarHBondContact O-CA 3.49Å; I138-E164 HydrophobicContact CD1-CB 4.44Å; I138-E164 HydrophobicContact CG2-CB 3.65Å; I138-E164 HydrophobicContact CG2-CG 4.25Å; R144-E164 IonicContact CZ-OE1 3.85Å; R144-E164 IonicContact CZ-OE2 3.54Å; R144-E164 IonicContact NH1-OE1 3.17Å; R144-E164 PolarHBondContact NH1-OE1 3.35Å; R144-E164 IonicContact NH1-OE2 2.75Å; R144-E164 IonicContact NH2-OE1 2.76Å; R144-E164 PolarHBondContact NH2-OE1 2.93Å; R144-E164 IonicContact NH2-OE2 3.47Å; R144-E164 PolarHBondContact NH2-OE2 3.35Å; T148-E164 WeakPolarHBondContact CA-OE1 3.3Å; T148-E164 WeakPolarHBondContact CB-OE1 3.09Å; T148-E164 HydrophobicContact CG2-CG 4.45Å; T148-E164 PolarHBondContact OG1-OE1 2.74Å; T148-E164 PolarHBondContact OG1-OE2 2.97Å; F162-E164 HydrophobicContact CE1-CG 4.04Å; F162-E164 HydrophobicContact CE2-CG 4.48Å; F162-E164 HydrophobicContact CZ-CG 3.6Å; E164-N172 WeakPolarHBondContact O-CB 3.28Å; E164-N172 PolarHBondContact O-ND2 3.47Å
165T98.9Very high98.1Very high0 Ų056.3 Ų56.30%029%0.292CS..EExtended strand (participates in β ladder)trans-135.8159-173.6630000112.3L38 V134 G135 N136 K137 I138 I163 E171 N172 A176L38-T165 WeakPolarHBondContact CD2-OG1 3.17Å; V134-T165 HydrophobicContact CG1-CG2 3.71Å; V134-T165 WeakPolarHBondContact CG1-OG1 3.27Å; G135-T165 PolarHBondContact O-N 3.01Å; N136-T165 CarbonylContact C-O 3.57Å; N136-T165 VanDerWaalsContact CA-O 3.28Å; N136-T165 WeakPolarHBondContact CA-O 3.37Å; N136-T165 PolarHBondContact OD1-O 3.29Å; N136-T165 PolarHBondContact OD1-OG1 3.05Å; K137-T165 PolarHBondContact N-O 3Å; I138-T165 WeakPolarHBondContact CG1-O 3.48Å; I138-T165 PolarHBondContact N-O 3.02Å; I163-T165 HydrophobicContact CG2-CG2 4.17Å; T165-E171 WeakPolarHBondContact CA-O 3.47Å; T165-N172 HydrophobicContact CG2-CB 3.94Å; T165-A176 HydrophobicContact CG2-CB 4.05Å
166S98.7Very high98.1Very high0 Ų056.3 Ų56.30%029%0.292CS..  trans-128.8113.4161.6171.20000109.4D139 K168 T169 S170 E171 V173D139-S166 VanDerWaalsContact CG-OG 3.32Å; D139-S166 WeakPolarHBondContact OD1-CB 3.4Å; D139-S166 PolarHBondContact OD1-OG 3.1Å; S166-K168 PolarHBondContact O-N 3.34Å; S166-K168 PolarHBondContact OG-N 3.17Å; S166-T169 WeakPolarHBondContact CB-OG1 3.23Å; S166-T169 PolarHBondContact OG-N 3.4Å; S166-T169 PolarHBondContact OG-OG1 3.35Å; S166-S170 CarbonylContact O-C 3.59Å; S166-S170 WeakPolarHBondContact O-CA 3.42Å; S166-S170 PolarHBondContact O-N 3.05Å; S166-E171 PolarHBondContact N-O 3.22Å; S166-E171 PolarHBondContact O-N 3.32Å; S166-V173 WeakPolarHBondContact O-CG2 3.42Å
167A98.3Very high98.1Very high3 Ų350 Ų503%0.02526%0.263CS..THydrogen-bonded Turntrans-60.6-29.2169.700000112.6C37 L38 R41 F47 N136C37-A167 HydrophobicContact CB-CB 3.6Å; L38-A167 HydrophobicContact CD2-CB 4Å; L38-A167 HydrophobicContact CG-CB 4.11Å; R41-A167 PolarHBondContact NE-O 3.19Å; F47-A167 HydrophobicContact CD2-CB 4.12Å; F47-A167 WeakPolarHBondContact CD2-O 3.21Å; F47-A167 HydrophobicContact CE2-CB 4.21Å; N136-A167 PolarHBondContact OD1-N 3.46Å
168K98.2Very high98.1Very high93 Ų9346.9 Ų46.940%0.40425%0.245SC..THydrogen-bonded Turntrans-68.8-52.9-179.4-177.9168.8180164.30111.4R41 F47 E49 D139 S166R41-K168 PolarHBondContact NH2-O 3.15Å; F47-K168 HydrophobicContact CD1-CB 4.43Å; F47-K168 HydrophobicContact CD1-CG 4.26Å; F47-K168 HydrophobicContact CD2-CB 4.43Å; F47-K168 HydrophobicContact CE1-CB 3.88Å; F47-K168 HydrophobicContact CE1-CD 4.15Å; F47-K168 HydrophobicContact CE1-CG 3.66Å; F47-K168 HydrophobicContact CE2-CB 3.89Å; F47-K168 HydrophobicContact CZ-CB 3.59Å; F47-K168 HydrophobicContact CZ-CD 4.22Å; F47-K168 HydrophobicContact CZ-CG 3.86Å; E49-K168 VanDerWaalsContact OE1-CE 3.26Å; E49-K168 WeakPolarHBondContact OE1-CE 3.4Å; E49-K168 IonicContact OE1-NZ 3.87Å; E49-K168 PolarHBondContact OE1-NZ 2.94Å; D139-K168 WeakPolarHBondContact OD2-CD 3.48Å; S166-K168 PolarHBondContact O-N 3.34Å; S166-K168 PolarHBondContact OG-N 3.17Å
169T98Very high98.1Very high80 Ų8047.8 Ų47.849%0.49125%0.247SC..THydrogen-bonded Turntrans-89-4.5-178.566.30000113.5D139 S166 E171D139-T169 HydrophobicContact CB-CG2 4Å; S166-T169 WeakPolarHBondContact CB-OG1 3.23Å; S166-T169 PolarHBondContact OG-N 3.4Å; S166-T169 PolarHBondContact OG-OG1 3.35Å; T169-E171 PolarHBondContact O-N 3.38Å; T169-E171 WeakPolarHBondContact OG1-CB 3.46Å; T169-E171 PolarHBondContact OG1-N 3.39Å
170S98.1Very high98.2Very high47 Ų4742.4 Ų42.433%0.32921%0.209SC..  trans66.27.9-171.1-166.60000114.8S166 N172 V173S166-S170 CarbonylContact O-C 3.59Å; S166-S170 WeakPolarHBondContact O-CA 3.42Å; S166-S170 PolarHBondContact O-N 3.05Å; S170-N172 PolarHBondContact O-N 3.03Å; S170-V173 PolarHBondContact O-N 3.45Å
171E98.7Very high98.2Very high100 Ų10041.6 Ų41.647%0.46721%0.205SC..THydrogen-bonded Turntrans-61.6127.1-179.7-171173.3165.300110.9I138 T165 S166 T169 V173I138-E171 HydrophobicContact CD1-CB 4.28Å; I138-E171 HydrophobicContact CD1-CG 3.96Å; T165-E171 WeakPolarHBondContact CA-O 3.47Å; S166-E171 PolarHBondContact N-O 3.22Å; S166-E171 PolarHBondContact O-N 3.32Å; T169-E171 PolarHBondContact O-N 3.38Å; T169-E171 WeakPolarHBondContact OG1-CB 3.46Å; T169-E171 PolarHBondContact OG1-N 3.39Å; E171-V173 PolarHBondContact O-N 3.21Å
172N98.6Very high98.1Very high61 Ų6141.8 Ų41.833%0.32621%0.206SC..THydrogen-bonded Turntrans56.93.3179.7-62.9-27.4000116.7I163 E164 T165 S170 R174 V175 A176I163-N172 HydrophobicContact CD1-CB 3.8Å; I163-N172 HydrophobicContact CG1-CB 4.01Å; E164-N172 WeakPolarHBondContact O-CB 3.28Å; E164-N172 PolarHBondContact O-ND2 3.47Å; T165-N172 HydrophobicContact CG2-CB 3.94Å; S170-N172 PolarHBondContact O-N 3.03Å; N172-R174 PolarHBondContact O-N 3.06Å; N172-V175 PolarHBondContact O-N 3.39Å; N172-A176 PolarHBondContact O-N 3.37Å
173V98.6Very high98Very high1 Ų143.7 Ų43.71%0.00621%0.214CC..Hα-helixtrans-60.1-53.3-178178.60000110.5L38 R41 F42 S166 S170 E171 V175 A176 F177L38-V173 HydrophobicContact CD2-CB 4.47Å; L38-V173 HydrophobicContact CD2-CG1 4.16Å; L38-V173 HydrophobicContact CD2-CG2 3.75Å; R41-V173 HydrophobicContact CB-CG1 4.3Å; R41-V173 HydrophobicContact CG-CB 4.2Å; R41-V173 HydrophobicContact CG-CG1 3.92Å; R41-V173 HydrophobicContact CG-CG2 4.03Å; F42-V173 HydrophobicContact CB-CG1 3.96Å; S166-V173 WeakPolarHBondContact O-CG2 3.42Å; S170-V173 PolarHBondContact O-N 3.45Å; E171-V173 PolarHBondContact O-N 3.21Å; V173-V175 VanDerWaalsContact C-N 3.32Å; V173-V175 PolarHBondContact O-N 3.21Å; V173-A176 PolarHBondContact O-N 3.48Å; V173-F177 HydrophobicContact CG1-CE2 4.36Å; V173-F177 VanDerWaalsContact O-CD2 3.31Å; V173-F177 WeakPolarHBondContact O-CD2 3.16Å
174R97.4Very high97.9Very high157 Ų15742.9 Ų42.959%0.59221%0.21SC*.Hα-helixtrans-60.3-42.5178.2-176.6175.9-179.8-149-8.7112.2N172 A176 F177 E178N172-R174 PolarHBondContact O-N 3.06Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.24Å; R174-F177 PolarHBondContact O-N 3.1Å; R174-E178 HydrophobicContact CG-CG 4.2Å; R174-E178 IonicContact CZ-OE1 3.61Å; R174-E178 IonicContact CZ-OE2 3.68Å; R174-E178 IonicContact NE-OE1 3.58Å; R174-E178 PolarHBondContact NE-OE1 2.91Å; R174-E178 IonicContact NE-OE2 2.68Å; R174-E178 IonicContact NH2-OE1 2.77Å; R174-E178 PolarHBondContact NH2-OE1 3.49Å; R174-E178 IonicContact NH2-OE2 3.77Å; R174-E178 WeakPolarHBondContact O-CG 3.4Å; R174-E178 PolarHBondContact O-N 3.26Å
175V98.1Very high97.7Very high55 Ų5542.8 Ų42.833%0.33321%0.21SC..Hα-helixtrans-59.6-44.7-179.2-177.30000110.8I163 N172 V173 F177 E178 E179I163-V175 HydrophobicContact CD1-CB 3.9Å; I163-V175 HydrophobicContact CD1-CG1 3.63Å; N172-V175 PolarHBondContact O-N 3.39Å; V173-V175 VanDerWaalsContact C-N 3.32Å; V173-V175 PolarHBondContact O-N 3.21Å; V175-F177 VanDerWaalsContact C-N 3.31Å; V175-F177 PolarHBondContact O-N 2.89Å; V175-E178 PolarHBondContact O-N 3.39Å; V175-E179 HydrophobicContact CG1-CG 4.01Å; V175-E179 WeakPolarHBondContact O-CB 3.23Å; V175-E179 WeakPolarHBondContact O-CG 3.33Å; V175-E179 PolarHBondContact O-N 2.69Å
176A98.5Very high97.4Very high3 Ų348.1 Ų48.13%0.02524%0.235CC..Hα-helixtrans-57-42179.600000113.1I132 V134 I163 T165 N172 V173 R174 L180I132-A176 HydrophobicContact CD1-CB 4.48Å; V134-A176 HydrophobicContact CG2-CB 4.44Å; I163-A176 HydrophobicContact CD1-CB 4.35Å; I163-A176 HydrophobicContact CG2-CB 3.57Å; T165-A176 HydrophobicContact CG2-CB 4.05Å; N172-A176 PolarHBondContact O-N 3.37Å; V173-A176 PolarHBondContact O-N 3.48Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.24Å; A176-L180 WeakPolarHBondContact O-CB 3.38Å; A176-L180 PolarHBondContact O-N 3.22Å
177F98.1Very high97.1Very high4 Ų449.2 Ų49.22%0.01824%0.242CC..Hα-helixtrans-76.5-38.8178.1-74.6-99.4000112.1L27 F42 I75 I99 V173 R174 V175 L180 V181L27-F177 HydrophobicContact CD1-CE1 4.16Å; L27-F177 HydrophobicContact CD1-CZ 4.29Å; L27-F177 HydrophobicContact CD2-CZ 4.31Å; F42-F177 HydrophobicContact CB-CD2 3.95Å; F42-F177 HydrophobicContact CB-CE2 3.64Å; F42-F177 HydrophobicContact CB-CZ 3.96Å; F42-F177 HydrophobicContact CD1-CB 4.41Å; F42-F177 AromaticContact CD1-CD1 3.64Å; F42-F177 HydrophobicContact CD1-CD1 3.64Å; F42-F177 HydrophobicContact CD1-CD2 4.09Å; F42-F177 AromaticContact CD1-CE1 3.8Å; F42-F177 HydrophobicContact CD1-CE1 3.8Å; F42-F177 HydrophobicContact CD1-CE2 4.23Å; F42-F177 AromaticContact CD1-CG 3.8Å; F42-F177 HydrophobicContact CD1-CG 3.8Å; F42-F177 HydrophobicContact CD1-CZ 4.08Å; F42-F177 HydrophobicContact CD2-CB 3.85Å; F42-F177 HydrophobicContact CD2-CD1 4.4Å; F42-F177 AromaticContact CD2-CD2 3.59Å; F42-F177 HydrophobicContact CD2-CD2 3.59Å; F42-F177 HydrophobicContact CD2-CE2 4.2Å; F42-F177 AromaticContact CD2-CG 3.7Å; F42-F177 HydrophobicContact CD2-CG 3.7Å; F42-F177 HydrophobicContact CE1-CB 4.02Å; F42-F177 AromaticContact CE1-CD1 3.66Å; F42-F177 HydrophobicContact CE1-CD1 3.66Å; F42-F177 HydrophobicContact CE1-CE1 4.23Å; F42-F177 AromaticContact CE1-CG 3.83Å; F42-F177 HydrophobicContact CE1-CG 3.83Å; F42-F177 HydrophobicContact CE2-CB 3.4Å; F42-F177 HydrophobicContact CE2-CD1 4.43Å; F42-F177 HydrophobicContact CE2-CD2 4.09Å; F42-F177 AromaticContact CE2-CG 3.75Å; F42-F177 HydrophobicContact CE2-CG 3.75Å; F42-F177 HydrophobicContact CG-CB 4.32Å; F42-F177 HydrophobicContact CG-CD1 4.02Å; F42-F177 AromaticContact CG-CD2 3.58Å; F42-F177 HydrophobicContact CG-CD2 3.58Å; F42-F177 HydrophobicContact CG-CE1 4.17Å; F42-F177 AromaticContact CG-CE2 3.76Å; F42-F177 HydrophobicContact CG-CE2 3.76Å; F42-F177 AromaticContact CG-CG 3.72Å; F42-F177 HydrophobicContact CG-CG 3.72Å; F42-F177 HydrophobicContact CG-CZ 4.05Å; F42-F177 HydrophobicContact CZ-CB 3.48Å; F42-F177 VanDerWaalsContact CZ-CB 3.48Å; F42-F177 HydrophobicContact CZ-CD1 4.06Å; F42-F177 AromaticContact CZ-CG 3.8Å; F42-F177 HydrophobicContact CZ-CG 3.8Å; I75-F177 HydrophobicContact CD1-CD1 4.27Å; I75-F177 HydrophobicContact CD1-CE1 4.06Å; I75-F177 HydrophobicContact CG2-CE1 4.28Å; I99-F177 HydrophobicContact CD1-CD1 3.72Å; I99-F177 HydrophobicContact CD1-CD2 4.42Å; I99-F177 HydrophobicContact CD1-CE1 3.44Å; I99-F177 VanDerWaalsContact CD1-CE1 3.44Å; I99-F177 HydrophobicContact CD1-CE2 4.2Å; I99-F177 HydrophobicContact CD1-CG 4.22Å; I99-F177 HydrophobicContact CD1-CZ 3.71Å; V173-F177 HydrophobicContact CG1-CE2 4.36Å; V173-F177 VanDerWaalsContact O-CD2 3.31Å; V173-F177 WeakPolarHBondContact O-CD2 3.16Å; R174-F177 PolarHBondContact O-N 3.1Å; V175-F177 VanDerWaalsContact C-N 3.31Å; V175-F177 PolarHBondContact O-N 2.89Å; F177-L180 PolarHBondContact O-N 3.43Å; F177-V181 VanDerWaalsContact O-CG2 3.24Å; F177-V181 WeakPolarHBondContact O-CG2 3.24Å; F177-V181 PolarHBondContact O-N 3.38Å
178E97.1Very high96.6Very high46 Ų4653.4 Ų53.422%0.21527%0.269CS..Hα-helixtrans-68.3-41179.5-73.2-178.2162.200112.4I64 R174 V175 V181 L182I64-E178 HydrophobicContact CD1-CG 4.24Å; R174-E178 HydrophobicContact CG-CG 4.2Å; R174-E178 IonicContact CZ-OE1 3.61Å; R174-E178 IonicContact CZ-OE2 3.68Å; R174-E178 IonicContact NE-OE1 3.58Å; R174-E178 PolarHBondContact NE-OE1 2.91Å; R174-E178 IonicContact NE-OE2 2.68Å; R174-E178 IonicContact NH2-OE1 2.77Å; R174-E178 PolarHBondContact NH2-OE1 3.49Å; R174-E178 IonicContact NH2-OE2 3.77Å; R174-E178 WeakPolarHBondContact O-CG 3.4Å; R174-E178 PolarHBondContact O-N 3.26Å; V175-E178 PolarHBondContact O-N 3.39Å; E178-V181 PolarHBondContact O-N 2.86Å; E178-L182 WeakPolarHBondContact O-CB 3.33Å; E178-L182 PolarHBondContact O-N 3.33Å
179E97.1Very high96.2Very high83 Ų8354.6 Ų54.639%0.38828%0.276SS..Hα-helixtrans-62.7-42.3174.7-74.7-172.3177.700111.9V175 V181 L182 K183V175-E179 HydrophobicContact CG1-CG 4.01Å; V175-E179 WeakPolarHBondContact O-CB 3.23Å; V175-E179 WeakPolarHBondContact O-CG 3.33Å; V175-E179 PolarHBondContact O-N 2.69Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.01Å; E179-L182 PolarHBondContact O-N 3.21Å; E179-K183 WeakPolarHBondContact O-CB 3.16Å; E179-K183 PolarHBondContact O-N 3.44Å
180L98.1Very high95.8Very high0 Ų050.9 Ų50.90%025%0.253CS..Hα-helixtrans-59-46.6174.6-178.969.1000111I25 I99 V130 I132 A176 F177 K183 I184I25-L180 HydrophobicContact CD1-CD2 4Å; I25-L180 HydrophobicContact CG2-CD2 3.73Å; I99-L180 HydrophobicContact CD1-CD2 3.96Å; I99-L180 HydrophobicContact CG1-CD2 3.58Å; V130-L180 HydrophobicContact CB-CD1 3.96Å; V130-L180 HydrophobicContact CG1-CD1 3.66Å; I132-L180 HydrophobicContact CB-CD1 4.38Å; I132-L180 HydrophobicContact CG2-CB 4.43Å; I132-L180 HydrophobicContact CG2-CD1 4.05Å; I132-L180 HydrophobicContact CG2-CD2 4.33Å; A176-L180 WeakPolarHBondContact O-CB 3.38Å; A176-L180 PolarHBondContact O-N 3.22Å; F177-L180 PolarHBondContact O-N 3.43Å; L180-K183 PolarHBondContact O-N 2.84Å; L180-I184 HydrophobicContact CG-CD1 4.15Å; L180-I184 VanDerWaalsContact O-CG1 3.27Å; L180-I184 WeakPolarHBondContact O-CG1 3.4Å; L180-I184 PolarHBondContact O-N 2.82Å
181V97.5Very high95.4Very high1 Ų151.2 Ų51.21%0.00625%0.247CC..Hα-helixtrans-67.3-45.3-178.9171.30000111.5L23 I64 V66 V71 L73 F177 E178 E179 K183 I184 L185L23-V181 HydrophobicContact CD1-CG1 3.93Å; L23-V181 HydrophobicContact CD1-CG2 4.42Å; I64-V181 HydrophobicContact CD1-CB 4.16Å; I64-V181 HydrophobicContact CD1-CG1 4.11Å; I64-V181 HydrophobicContact CD1-CG2 4.02Å; V66-V181 HydrophobicContact CG2-CG1 3.89Å; V71-V181 HydrophobicContact CG1-CG1 4.11Å; L73-V181 HydrophobicContact CD1-CG2 3.89Å; L73-V181 HydrophobicContact CD2-CG1 4.42Å; L73-V181 HydrophobicContact CD2-CG2 3.43Å; L73-V181 VanDerWaalsContact CD2-CG2 3.43Å; L73-V181 HydrophobicContact CG-CG2 4.3Å; F177-V181 VanDerWaalsContact O-CG2 3.24Å; F177-V181 WeakPolarHBondContact O-CG2 3.24Å; F177-V181 PolarHBondContact O-N 3.38Å; E178-V181 PolarHBondContact O-N 2.86Å; E179-V181 VanDerWaalsContact C-N 3.33Å; E179-V181 PolarHBondContact O-N 3.01Å; V181-K183 VanDerWaalsContact C-N 3.25Å; V181-K183 PolarHBondContact O-N 2.99Å; V181-I184 PolarHBondContact O-N 3.38Å; V181-I184 VanDerWaalsContact O-N 3.13Å; V181-L185 HydrophobicContact CG1-CD1 4.18Å; V181-L185 HydrophobicContact CG1-CG 4.37Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 2.99Å
182L96.3Very high94.9Very high57 Ų5754.2 Ų54.230%0.29826%0.261SS..Hα-helixtrans-55.4-45.9176.2-176.566.8000110.3V66 E67 E178 E179 I184 L185 E186V66-L182 HydrophobicContact CG1-CB 4.48Å; V66-L182 HydrophobicContact CG1-CD1 3.91Å; E67-L182 HydrophobicContact CG-CD1 4.33Å; E178-L182 WeakPolarHBondContact O-CB 3.33Å; E178-L182 PolarHBondContact O-N 3.33Å; E179-L182 PolarHBondContact O-N 3.21Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 2.86Å; L182-L185 PolarHBondContact O-N 2.81Å; L182-L185 VanDerWaalsContact O-N 3.1Å; L182-E186 WeakPolarHBondContact O-CG 3.39Å; L182-E186 PolarHBondContact O-N 3.13Å
183K96.4Very high94.4Very high86 Ų8653.3 Ų53.337%0.37426%0.26SS..Hα-helixtrans-67-32.1179.8-169.268.6-169.3166.60113.6V130 L161 E179 L180 V181 E186 T187V130-K183 HydrophobicContact CG1-CB 3.81Å; V130-K183 HydrophobicContact CG1-CG 3.57Å; V130-K183 HydrophobicContact CG2-CB 4.44Å; V130-K183 HydrophobicContact CG2-CG 4.08Å; L161-K183 HydrophobicContact CD1-CB 4.12Å; L161-K183 HydrophobicContact CD1-CG 4.28Å; E179-K183 WeakPolarHBondContact O-CB 3.16Å; E179-K183 PolarHBondContact O-N 3.44Å; L180-K183 PolarHBondContact O-N 2.84Å; V181-K183 VanDerWaalsContact C-N 3.25Å; V181-K183 PolarHBondContact O-N 2.99Å; K183-E186 WeakPolarHBondContact CD-OE2 3.22Å; K183-E186 IonicContact NZ-OE2 3.55Å; K183-E186 PolarHBondContact NZ-OE2 2.91Å; K183-T187 PolarHBondContact O-OG1 3.29Å
184I96.4Very high93.6Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-66-43.2171.3-67.1163.2000110.3L23 I25 Q96 V130 L180 V181 L182 E186 T187 L190 W191L23-I184 HydrophobicContact CD1-CB 4.18Å; L23-I184 HydrophobicContact CD1-CD1 4.27Å; L23-I184 HydrophobicContact CD1-CG2 3.8Å; L23-I184 HydrophobicContact CD2-CG2 3.84Å; L23-I184 HydrophobicContact CG-CG2 4.42Å; I25-I184 HydrophobicContact CD1-CD1 3.68Å; Q96-I184 HydrophobicContact CB-CD1 4.17Å; Q96-I184 HydrophobicContact CB-CG2 4.16Å; V130-I184 HydrophobicContact CB-CG1 3.74Å; V130-I184 HydrophobicContact CG2-CB 4.34Å; V130-I184 HydrophobicContact CG2-CG1 3.57Å; L180-I184 HydrophobicContact CG-CD1 4.15Å; L180-I184 VanDerWaalsContact O-CG1 3.27Å; L180-I184 WeakPolarHBondContact O-CG1 3.4Å; L180-I184 PolarHBondContact O-N 2.82Å; V181-I184 PolarHBondContact O-N 3.38Å; V181-I184 VanDerWaalsContact O-N 3.13Å; L182-I184 VanDerWaalsContact C-N 3.33Å; L182-I184 PolarHBondContact O-N 2.86Å; I184-E186 VanDerWaalsContact C-N 3.29Å; I184-E186 PolarHBondContact O-N 2.98Å; I184-T187 CarbonylContact O-C 3.55Å; I184-T187 PolarHBondContact O-N 2.64Å; I184-L190 HydrophobicContact CG1-CD1 4.44Å; I184-L190 HydrophobicContact CG2-CB 4Å; I184-L190 HydrophobicContact CG2-CD1 4.22Å; I184-W191 VanDerWaalsContact O-CD1 3.27Å
185L94.4Very high92.7Very high21 Ų2155.1 Ų55.111%0.1128%0.277CS..Hα-helixtrans-65.3-33.2179.8-65.8176.6000112.4L20 T21 V66 V71 V181 L182 T187 W191L20-L185 HydrophobicContact CD2-CD2 4.36Å; T21-L185 HydrophobicContact CG2-CD2 3.98Å; V66-L185 HydrophobicContact CB-CD1 4.14Å; V66-L185 HydrophobicContact CG1-CD1 3.95Å; V71-L185 HydrophobicContact CG2-CD1 4.12Å; V181-L185 HydrophobicContact CG1-CD1 4.18Å; V181-L185 HydrophobicContact CG1-CG 4.37Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 2.81Å; L182-L185 VanDerWaalsContact O-N 3.1Å; L185-T187 PolarHBondContact O-N 3.07Å; L185-W191 HydrophobicContact CD2-CD2 3.97Å; L185-W191 HydrophobicContact CD2-CE3 4.42Å; L185-W191 HydrophobicContact CD2-CG 4.27Å; L185-W191 HydrophobicContact CD2-CZ2 4.22Å; L185-W191 PolarHBondContact O-NE1 2.83Å
186E93.5Very high91.6Very high112 Ų11257 Ų5752%0.52329%0.285SS..THydrogen-bonded Turntrans-67.2-7.5170.9-71.3177.3-175.900114.1L182 K183 I184 P188L182-E186 WeakPolarHBondContact O-CG 3.39Å; L182-E186 PolarHBondContact O-N 3.13Å; K183-E186 WeakPolarHBondContact CD-OE2 3.22Å; K183-E186 IonicContact NZ-OE2 3.55Å; K183-E186 PolarHBondContact NZ-OE2 2.91Å; I184-E186 VanDerWaalsContact C-N 3.29Å; I184-E186 PolarHBondContact O-N 2.98Å; E186-P188 WeakPolarHBondContact O-CD 3.21Å
187T92.7Very high90.5Very high24 Ų2458.2 Ų58.215%0.14729%0.289CS..  trans-11884.2-177.9-47.30000109.8K183 I184 L185 E189 L190K183-T187 PolarHBondContact O-OG1 3.29Å; I184-T187 CarbonylContact O-C 3.55Å; I184-T187 PolarHBondContact O-N 2.64Å; L185-T187 PolarHBondContact O-N 3.07Å; T187-E189 VanDerWaalsContact C-N 3.26Å; T187-E189 HydrophobicContact CG2-CG 4.08Å; T187-E189 WeakPolarHBondContact CG2-OE1 3.36Å; T187-E189 PolarHBondContact O-N 2.83Å; T187-E189 VanDerWaalsContact O-N 3.11Å; T187-L190 HydrophobicContact CG2-CD1 3.78Å; T187-L190 HydrophobicContact CG2-CG 3.75Å; T187-L190 WeakPolarHBondContact O-CB 3.45Å; T187-L190 PolarHBondContact O-N 3.47Å
188P87Confident89.1Confident91 Ų9162 Ų6259%0.59131%0.309SS*.G310 helixtrans-57.2-29.8-169.2-27.435.9000115.2E186 L190 W191E186-P188 WeakPolarHBondContact O-CD 3.21Å; P188-L190 PolarHBondContact O-N 2.77Å; P188-L190 VanDerWaalsContact O-N 3.15Å; P188-W191 PolarHBondContact O-N 2.87Å
189E89.9Confident87.9Confident117 Ų11765.2 Ų65.255%0.54732%0.322SS..G310 helixtrans-67-11.4176.365.2-99.2-157.500114.5K126 N128 T187K126-E189 PolarHBondContact NZ-O 2.99Å; N128-E189 PolarHBondContact ND2-OE1 3.08Å; T187-E189 VanDerWaalsContact C-N 3.26Å; T187-E189 HydrophobicContact CG2-CG 4.08Å; T187-E189 WeakPolarHBondContact CG2-OE1 3.36Å; T187-E189 PolarHBondContact O-N 2.83Å; T187-E189 VanDerWaalsContact O-N 3.11Å
190L88.5Confident86.4Confident3 Ų364.7 Ų64.72%0.01632%0.322CS..G310 helixtrans-86-25.2-179.4-66.9-178.7000113.3Q96 K126 N128 V130 I184 T187 P188Q96-L190 HydrophobicContact CG-CB 4.37Å; Q96-L190 VanDerWaalsContact CG-O 3.27Å; Q96-L190 WeakPolarHBondContact CG-O 3.45Å; Q96-L190 PolarHBondContact NE2-O 2.75Å; K126-L190 HydrophobicContact CD-CD2 3.65Å; K126-L190 PolarHBondContact NZ-O 3.21Å; N128-L190 HydrophobicContact CB-CD2 4.14Å; N128-L190 VanDerWaalsContact O-CD1 3.26Å; N128-L190 WeakPolarHBondContact O-CD1 3.28Å; V130-L190 HydrophobicContact CG2-CD1 3.71Å; I184-L190 HydrophobicContact CG1-CD1 4.44Å; I184-L190 HydrophobicContact CG2-CB 4Å; I184-L190 HydrophobicContact CG2-CD1 4.22Å; T187-L190 HydrophobicContact CG2-CD1 3.78Å; T187-L190 HydrophobicContact CG2-CG 3.75Å; T187-L190 WeakPolarHBondContact O-CB 3.45Å; T187-L190 PolarHBondContact O-N 3.47Å; P188-L190 PolarHBondContact O-N 2.77Å; P188-L190 VanDerWaalsContact O-N 3.15Å
191W90.8Very high85.1Confident54 Ų5469.5 Ų69.521%0.20534%0.344CS..  trans-140.3154.8-169.169.5-84.1000112.3L20 T21 L23 I184 L185 P188L20-W191 HydrophobicContact CD1-CH2 4.04Å; L20-W191 HydrophobicContact CD1-CZ3 3.73Å; L20-W191 HydrophobicContact CD2-CH2 4.01Å; L20-W191 HydrophobicContact CD2-CZ3 4.02Å; L20-W191 HydrophobicContact CG-CH2 4.23Å; L20-W191 HydrophobicContact CG-CZ3 3.79Å; T21-W191 HydrophobicContact CG2-CB 4.41Å; T21-W191 HydrophobicContact CG2-CD2 4.32Å; T21-W191 HydrophobicContact CG2-CE3 3.79Å; T21-W191 HydrophobicContact CG2-CZ3 4.44Å; L23-W191 HydrophobicContact CD2-CB 3.66Å; I184-W191 VanDerWaalsContact O-CD1 3.27Å; L185-W191 HydrophobicContact CD2-CD2 3.97Å; L185-W191 HydrophobicContact CD2-CE3 4.42Å; L185-W191 HydrophobicContact CD2-CG 4.27Å; L185-W191 HydrophobicContact CD2-CZ2 4.22Å; L185-W191 PolarHBondContact O-NE1 2.83Å; P188-W191 PolarHBondContact O-N 2.87Å
192E88.9Confident83.7Confident162 Ų16274.3 Ų74.376%0.75737%0.373SS*.  trans-129.8145.6-179.6-62.2171.2-145.700107.6T21T21-E192 WeakPolarHBondContact CB-O 3.47Å; T21-E192 PolarHBondContact OG1-O 3.29Å
193S87.1Confident82.3Confident43 Ų4377.9 Ų77.930%0.30139%0.392SS..  trans-68.3139.3176.9-64.40000110.4L20L20-S193 CarbonylContact O-C 3.6Å; L20-S193 WeakPolarHBondContact O-CA 3.37Å
194D82.8Confident80.8Confident58 Ų5880 Ų8031%0.3141%0.408SS..  trans-61.5137.5171.7-165.7-77.7000109.3V19 L20 N196 Y197 L198V19-D194 WeakPolarHBondContact O-CB 3.39Å; L20-D194 PolarHBondContact O-N 3.15Å; D194-N196 PolarHBondContact O-N 2.75Å; D194-N196 VanDerWaalsContact O-N 3.14Å; D194-N196 WeakPolarHBondContact OD1-CB 3.4Å; D194-N196 PolarHBondContact OD1-N 2.77Å; D194-N196 PolarHBondContact OD1-ND2 2.81Å; D194-N196 VanDerWaalsContact OD1-ND2 3.14Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.32Å; D194-Y197 PolarHBondContact O-N 2.88Å; D194-L198 PolarHBondContact O-N 2.94Å
195E77Confident79.3Confident138 Ų13882.7 Ų82.765%0.64543%0.43SS*.Hα-helixtrans-57.2-33.6-178.5-66.9-171.9176.300112.5Y197 L198 K199E195-Y197 VanDerWaalsContact C-N 3.34Å; E195-L198 PolarHBondContact O-N 2.76Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 3.4Å; E195-K199 VanDerWaalsContact O-N 3.11Å
196N74.8Confident77.7Confident95 Ų9587.2 Ų87.251%0.50846%0.461SS..Hα-helixtrans-71.4-32.4179.1-62-53000111.9D194 K199 L200D194-N196 PolarHBondContact O-N 2.75Å; D194-N196 VanDerWaalsContact O-N 3.14Å; D194-N196 WeakPolarHBondContact OD1-CB 3.4Å; D194-N196 PolarHBondContact OD1-N 2.77Å; D194-N196 PolarHBondContact OD1-ND2 2.81Å; D194-N196 VanDerWaalsContact OD1-ND2 3.14Å; N196-K199 PolarHBondContact O-N 2.95Å; N196-L200 WeakPolarHBondContact O-CG 3.45Å; N196-L200 PolarHBondContact O-N 3Å
197Y75.4Confident76.2Confident27 Ų2787.3 Ų87.311%0.10647%0.471CS..Hα-helixtrans-63.2-46.1173.7-179.2-93.7000111.5A18 V19 L20 N69 D194 E195 K199 L200 Q201A18-Y197 HydrophobicContact CB-CD2 3.65Å; A18-Y197 HydrophobicContact CB-CE2 4.41Å; A18-Y197 HydrophobicContact CB-CG 4.46Å; V19-Y197 WeakPolarHBondContact O-CB 3.38Å; L20-Y197 HydrophobicContact CB-CD2 4.14Å; L20-Y197 HydrophobicContact CB-CE2 4.03Å; L20-Y197 HydrophobicContact CD1-CD1 3.7Å; L20-Y197 HydrophobicContact CD1-CD2 4.44Å; L20-Y197 HydrophobicContact CD1-CE1 3.28Å; L20-Y197 HydrophobicContact CD1-CE2 4.12Å; L20-Y197 HydrophobicContact CD1-CG 4.26Å; N69-Y197 PolarHBondContact OD1-OH 3.14Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.32Å; D194-Y197 PolarHBondContact O-N 2.88Å; E195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-K199 VanDerWaalsContact C-N 3.35Å; Y197-K199 PolarHBondContact O-N 3.35Å; Y197-L200 PolarHBondContact O-N 2.74Å; Y197-Q201 HydrophobicContact CD1-CG 4.28Å; Y197-Q201 HydrophobicContact CE1-CG 3.92Å; Y197-Q201 WeakPolarHBondContact O-CG 3.36Å; Y197-Q201 PolarHBondContact O-N 3.31Å; Y197-Q201 PolarHBondContact OH-NE2 3.22Å
198L69.5Low74.7Confident85 Ų8592 Ų9245%0.44550%0.502SS..Hα-helixtrans-60.8-43.8176.7-65172.9000111.7D194 E195 L200 Q201 T202D194-L198 PolarHBondContact O-N 2.94Å; E195-L198 PolarHBondContact O-N 2.76Å; L198-L200 PolarHBondContact O-N 3.07Å; L198-Q201 PolarHBondContact O-N 2.58Å; L198-T202 WeakPolarHBondContact O-CG2 3.26Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 3.3Å
199K70.9Confident73.5Confident113 Ų11392.8 Ų92.849%0.49151%0.509SS..Hα-helixtrans-59.3-46.2176.2-71.9170.1-170.41640111.6E195 N196 Y197 Q201 T202 L203E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 3.4Å; E195-K199 VanDerWaalsContact O-N 3.11Å; N196-K199 PolarHBondContact O-N 2.95Å; Y197-K199 VanDerWaalsContact C-N 3.35Å; Y197-K199 PolarHBondContact O-N 3.35Å; K199-Q201 PolarHBondContact O-N 3.26Å; K199-T202 PolarHBondContact O-N 3.4Å; K199-T202 PolarHBondContact O-OG1 3.29Å; K199-L203 WeakPolarHBondContact O-CG 3.37Å; K199-L203 PolarHBondContact O-N 2.95Å
200L66.1Low71.6Confident71 Ų7196.8 Ų96.837%0.37252%0.519SS..Hα-helixtrans-66.9-35.8179.7-73.4166.4000112.7A18 N196 Y197 L198 L203 N204A18-L200 HydrophobicContact CB-CB 4.3Å; A18-L200 HydrophobicContact CB-CD1 3.46Å; A18-L200 VanDerWaalsContact CB-CD1 3.46Å; N196-L200 WeakPolarHBondContact O-CG 3.45Å; N196-L200 PolarHBondContact O-N 3Å; Y197-L200 PolarHBondContact O-N 2.74Å; L198-L200 PolarHBondContact O-N 3.07Å; L200-L203 HydrophobicContact CD2-CD1 4.46Å; L200-L203 PolarHBondContact O-N 3.1Å; L200-N204 WeakPolarHBondContact O-CB 3.25Å; L200-N204 PolarHBondContact O-N 3.21Å; L200-N204 VanDerWaalsContact O-N 3.09Å; L200-N204 PolarHBondContact O-ND2 3.24Å
201Q70.4Confident69.7Low101 Ų101102 Ų10247%0.47256%0.555SS.*Hα-helixtrans-63.7-40.7172.5-73.2-159.6-20.300112.5Y197 L198 K199 N204 A205Y197-Q201 HydrophobicContact CD1-CG 4.28Å; Y197-Q201 HydrophobicContact CE1-CG 3.92Å; Y197-Q201 WeakPolarHBondContact O-CG 3.36Å; Y197-Q201 PolarHBondContact O-N 3.31Å; Y197-Q201 PolarHBondContact OH-NE2 3.22Å; L198-Q201 PolarHBondContact O-N 2.58Å; K199-Q201 PolarHBondContact O-N 3.26Å; Q201-N204 PolarHBondContact O-N 2.79Å; Q201-A205 PolarHBondContact O-N 2.84Å; Q201-A205 VanDerWaalsContact O-N 3.12Å
202T68.5Low68.2Low102 Ų102108.5 Ų108.563%0.62658%0.581SS**Hα-helixtrans-67.8-34.417759.10000113.1L198 K199 A205L198-T202 WeakPolarHBondContact O-CG2 3.26Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 3.3Å; K199-T202 PolarHBondContact O-N 3.4Å; K199-T202 PolarHBondContact O-OG1 3.29Å; T202-A205 PolarHBondContact O-N 3.1Å
203L67.3Low66.6Low133 Ų133106.2 Ų106.270%0.69658%0.583SS**Hα-helixtrans-70.5-31.8176.6-72.6168.4000112.5K199 L200K199-L203 WeakPolarHBondContact O-CG 3.37Å; K199-L203 PolarHBondContact O-N 2.95Å; L200-L203 HydrophobicContact CD2-CD1 4.46Å; L200-L203 PolarHBondContact O-N 3.1Å
204N66.1Low64.9Low131 Ų131113.8 Ų113.870%0.70163%0.633SS**Hα-helixtrans-90-4.2179.4-68.5-28.8000113.5L200 Q201L200-N204 WeakPolarHBondContact O-CB 3.25Å; L200-N204 PolarHBondContact O-N 3.21Å; L200-N204 VanDerWaalsContact O-N 3.09Å; L200-N204 PolarHBondContact O-ND2 3.24Å; Q201-N204 PolarHBondContact O-N 2.79Å
205A64.2Low64Low56 Ų56116.6 Ų116.646%0.46365%0.649SS.*SBendtrans-67.2134.2176.800000110.1Q201 T202Q201-A205 PolarHBondContact O-N 2.84Å; Q201-A205 VanDerWaalsContact O-N 3.12Å; T202-A205 PolarHBondContact O-N 3.1Å
206P60.1Low63.3Low116 Ų116115.4 Ų115.475%0.75365%0.65SS**PPolyproline II helixtrans-58.2139.317622.7-30.8000109.6
207P63.1Low62.6Low114 Ų114116.6 Ų116.674%0.7466%0.657SS**PPolyproline II helixtrans-57.9143.3179.122.6-31.6000109.6S209P207-S209 PolarHBondContact O-N 2.69Å; P207-S209 VanDerWaalsContact O-N 3.16Å
208P61.2Low61.9Low123 Ų123121.8 Ų121.880%0.79969%0.69SS**PPolyproline II helixtrans-55.4127.3-178.320.3-30.6000109.3R210P208-R210 PolarHBondContact O-N 3.04Å
209S61.7Low61.4Low106 Ų106124.1 Ų124.174%0.74171%0.705SS**  trans-56112.1176.250.80000108.5P207 C211P207-S209 PolarHBondContact O-N 2.69Å; P207-S209 VanDerWaalsContact O-N 3.16Å; S209-C211 PolarHBondContact O-N 3.3Å
210R49.9Very low60.8Low201 Ų201124.9 Ų124.976%0.75872%0.719SS**  trans-60.7102.3168.4-87.7-176.5171.8-177.1-1.4107.5P208 Y212P208-R210 PolarHBondContact O-N 3.04Å; R210-Y212 HydrophobicContact CB-CD2 4.44Å; R210-Y212 HydrophobicContact CB-CE2 4.06Å; R210-Y212 PolarHBondContact O-N 3.19Å
211C48.8Very low60.4Low114 Ų114128.7 Ų128.777%0.7774%0.744SS**  trans-63.5101.8161.8-73.50000107.1S209 S213S209-C211 PolarHBondContact O-N 3.3Å; C211-S213 VanDerWaalsContact C-N 3.27Å; C211-S213 PolarHBondContact O-N 3.21Å; C211-S213 VanDerWaalsContact O-N 3.1Å
212Y58.6Low59.6Low190 Ų190130.8 Ų130.875%0.74577%0.765SS**  trans-75.290.2160.9-68.1-79.8000106.8R210R210-Y212 HydrophobicContact CB-CD2 4.44Å; R210-Y212 HydrophobicContact CB-CE2 4.06Å; R210-Y212 PolarHBondContact O-N 3.19Å
213S55Low58.9Low113 Ų113133.3 Ų133.379%0.7978%0.777SS**  trans-79.4108.8160.2540000107.6C211C211-S213 VanDerWaalsContact C-N 3.27Å; C211-S213 PolarHBondContact O-N 3.21Å; C211-S213 VanDerWaalsContact O-N 3.1Å
214C50.8Low58.1Low202 Ų202133.3 Ų133.3100%1.36578%0.784SS**  trans-111.60154.8-74.30000107.6

Retrieved 214 of 214 residues in 116.8 ms (Link to these results)

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