A0A077Z2T4_TRITR Loading...

ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyldiphosphate specific]

AlphaFold DB , UniProt , Accession A0A077Z2T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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
1M42.8Very low73.5Confident220 Ų22095.5 Ų95.5100%1.08446%0.463SS*.  05.20-153170.9-176.600113.7
2F47.9Very low75.2Confident102 Ų10296 Ų9645%0.44746%0.456SS..  trans-98.6-16.7-173.5-61-74.4000114.6E54F2-E54 HydrophobicContact CD1-CG 4.01Å; F2-E54 HydrophobicContact CD2-CG 4.14Å; F2-E54 HydrophobicContact CE1-CG 4.06Å; F2-E54 WeakPolarHBondContact CE1-OE1 3.43Å; F2-E54 HydrophobicContact CE2-CG 4.2Å; F2-E54 HydrophobicContact CG-CG 4.05Å; F2-E54 HydrophobicContact CZ-CG 4.15Å; F2-E54 WeakPolarHBondContact CZ-OE1 3.05Å
3A50.8Low76.7Confident15 Ų1598 Ų9812%0.12446%0.462CS..THydrogen-bonded Turntrans-91.4-5.3-172.800000116.6S5 K61 E105A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 3.07Å; A3-K61 PolarHBondContact O-NZ 3.13Å; A3-E105 WeakPolarHBondContact CB-OE1 3.43Å; A3-E105 VanDerWaalsContact CB-OE2 3.23Å; A3-E105 WeakPolarHBondContact CB-OE2 3.5Å
4N54.7Low78.1Confident155 Ų15592.5 Ų92.583%0.82944%0.437SS*.THydrogen-bonded Turntrans-81.4-0.2-178.4-79.50.3000114.1E6N4-E6 PolarHBondContact O-N 3.32Å; N4-E6 VanDerWaalsContact O-N 3.08Å
5S67.4Low79.1Confident59 Ų5986.3 Ų86.341%0.41341%0.408SS..SBendtrans-72.3101.7174.353.70000110.4A3 L7 K61A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 3.07Å; S5-L7 PolarHBondContact O-N 3.01Å; S5-K61 WeakPolarHBondContact O-CE 3.22Å; S5-K61 PolarHBondContact O-NZ 3.21Å
6E80.5Confident79.9Confident146 Ų14690 Ų9068%0.68242%0.422SS*.  trans-45.5140.2172.4-81.7-74.817000111.9N4 T8 R12N4-E6 PolarHBondContact O-N 3.32Å; N4-E6 VanDerWaalsContact O-N 3.08Å; E6-T8 PolarHBondContact O-N 3.34Å; E6-R12 IonicContact OE2-CZ 3.46Å; E6-R12 IonicContact OE2-NH2 3.33Å; E6-R12 PolarHBondContact OE2-NH2 3.42Å
7L85.9Confident80.7Confident17 Ų1790.1 Ų90.19%0.08943%0.425CS..  trans-62.7136.8173.5-69.5169.5000109.2S5 Q11 R12 K61 W62 H65S5-L7 PolarHBondContact O-N 3.01Å; L7-Q11 HydrophobicContact CB-CB 4.42Å; L7-Q11 HydrophobicContact CD2-CB 4.46Å; L7-Q11 VanDerWaalsContact CD2-OE1 3.32Å; L7-R12 HydrophobicContact CB-CG 3.98Å; L7-R12 PolarHBondContact O-NE 3.4Å; L7-K61 HydrophobicContact CD2-CG 4.37Å; L7-W62 VanDerWaalsContact CD2-CD1 3.47Å; L7-H65 HydrophobicContact CD1-CB 3.31Å; L7-H65 VanDerWaalsContact CD1-CD2 3.49Å; L7-H65 WeakPolarHBondContact CD1-CD2 3.44Å; L7-H65 WeakPolarHBondContact CD1-ND1 3.4Å
8T92.9Very high81.3Confident54 Ų5485.1 Ų85.133%0.33140%0.402SS..  trans-64154.9176.968.30000110.3E6 W10 Q11 R12E6-T8 PolarHBondContact O-N 3.34Å; T8-W10 PolarHBondContact O-N 3.2Å; T8-W10 PolarHBondContact OG1-NE1 3.28Å; T8-Q11 PolarHBondContact O-N 2.97Å; T8-Q11 VanDerWaalsContact O-N 3.13Å; T8-Q11 WeakPolarHBondContact OG1-CB 3.48Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.1Å; T8-Q11 PolarHBondContact OG1-N 2.94Å; T8-Q11 PolarHBondContact OG1-OE1 3.06Å; T8-R12 WeakPolarHBondContact O-CG 3.4Å; T8-R12 PolarHBondContact O-N 2.96Å; T8-R12 VanDerWaalsContact O-N 3.08Å
9W94.7Very high81.8Confident197 Ų19787.1 Ų87.175%0.74641%0.405SS*.Hα-helixtrans-54.8-37.8178.473-94.3000112.2R12 F13W9-R12 WeakPolarHBondContact O-CB 3.36Å; W9-R12 PolarHBondContact O-N 3.02Å; W9-F13 PolarHBondContact O-N 3.23Å
10W95.1Very high82.3Confident66 Ų6691.1 Ų91.125%0.2543%0.425CS..Hα-helixtrans-73.3-36.2-178.970.2-101.6000111.9T8 R12 F13 L14 F182 W183T8-W10 PolarHBondContact O-N 3.2Å; T8-W10 PolarHBondContact OG1-NE1 3.28Å; W10-R12 VanDerWaalsContact C-N 3.27Å; W10-R12 PolarHBondContact O-N 3.21Å; W10-F13 PolarHBondContact O-N 3.29Å; W10-L14 HydrophobicContact CE3-CD1 3.65Å; W10-L14 HydrophobicContact CE3-CG 4.4Å; W10-L14 HydrophobicContact CZ3-CD1 3.84Å; W10-L14 WeakPolarHBondContact O-CB 3.28Å; W10-L14 WeakPolarHBondContact O-CG 3.37Å; W10-L14 PolarHBondContact O-N 2.98Å; W10-F182 HydrophobicContact CE3-CD1 4.39Å; W10-F182 HydrophobicContact CE3-CE1 4.48Å; W10-F182 HydrophobicContact CH2-CB 4.09Å; W10-F182 AromaticContact CH2-CD1 3.74Å; W10-F182 HydrophobicContact CH2-CD1 3.74Å; W10-F182 HydrophobicContact CH2-CG 4.18Å; W10-F182 AromaticContact CZ3-CD1 3.37Å; W10-F182 HydrophobicContact CZ3-CD1 3.37Å; W10-F182 AromaticContact CZ3-CE1 3.81Å; W10-F182 HydrophobicContact CZ3-CE1 3.81Å; W10-F182 HydrophobicContact CZ3-CG 4.2Å; W10-W183 HydrophobicContact CE3-CH2 4.11Å; W10-W183 AromaticContact CE3-CZ2 3.81Å; W10-W183 HydrophobicContact CE3-CZ2 3.81Å; W10-W183 HydrophobicContact CH2-CD2 4.16Å; W10-W183 AromaticContact CH2-CE2 3.52Å; W10-W183 HydrophobicContact CH2-CG 4.47Å; W10-W183 AromaticContact CH2-CZ2 3.81Å; W10-W183 HydrophobicContact CH2-CZ2 3.81Å; W10-W183 AromaticContact CH2-NE1 3.43Å; W10-W183 HydrophobicContact CZ3-CD2 4.03Å; W10-W183 AromaticContact CZ3-CE2 3.49Å; W10-W183 VanDerWaalsContact CZ3-CE2 3.49Å; W10-W183 HydrophobicContact CZ3-CE3 4.4Å; W10-W183 AromaticContact CZ3-CH2 3.85Å; W10-W183 HydrophobicContact CZ3-CH2 3.85Å; W10-W183 AromaticContact CZ3-CZ2 3.39Å; W10-W183 HydrophobicContact CZ3-CZ2 3.39Å; W10-W183 HydrophobicContact CZ3-CZ3 4.32Å; W10-W183 AromaticContact CZ3-NE1 3.93Å
11Q95.5Very high82.6Confident20 Ų2088 Ų889%0.09342%0.419CS..Hα-helixtrans-61.4-40.6172.1-75.8169-14.800110.5L7 T8 S15 F182L7-Q11 HydrophobicContact CB-CB 4.42Å; L7-Q11 HydrophobicContact CD2-CB 4.46Å; L7-Q11 VanDerWaalsContact CD2-OE1 3.32Å; T8-Q11 PolarHBondContact O-N 2.97Å; T8-Q11 VanDerWaalsContact O-N 3.13Å; T8-Q11 WeakPolarHBondContact OG1-CB 3.48Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.1Å; T8-Q11 PolarHBondContact OG1-N 2.94Å; T8-Q11 PolarHBondContact OG1-OE1 3.06Å; Q11-S15 VanDerWaalsContact O-CB 3.27Å; Q11-S15 WeakPolarHBondContact O-CB 3.46Å; Q11-S15 PolarHBondContact O-N 3.1Å; Q11-S15 PolarHBondContact O-OG 3.15Å; Q11-F182 HydrophobicContact CB-CD2 4.23Å; Q11-F182 HydrophobicContact CB-CE2 4.13Å; Q11-F182 HydrophobicContact CB-CZ 4.36Å; Q11-F182 HydrophobicContact CG-CB 4.21Å; Q11-F182 HydrophobicContact CG-CD1 4.08Å; Q11-F182 HydrophobicContact CG-CD2 3.85Å; Q11-F182 HydrophobicContact CG-CE1 4.43Å; Q11-F182 HydrophobicContact CG-CE2 4.22Å; Q11-F182 HydrophobicContact CG-CG 3.77Å; Q11-F182 HydrophobicContact CG-CZ 4.5Å
12R93.9Very high85Confident101 Ų10179.4 Ų79.438%0.38138%0.379SS..Hα-helixtrans-65-45.3176.1-60.2176-176.2169.4-2.8111.9E6 L7 T8 W9 W10 S15 K16 H65E6-R12 IonicContact OE2-CZ 3.46Å; E6-R12 IonicContact OE2-NH2 3.33Å; E6-R12 PolarHBondContact OE2-NH2 3.42Å; L7-R12 HydrophobicContact CB-CG 3.98Å; L7-R12 PolarHBondContact O-NE 3.4Å; T8-R12 WeakPolarHBondContact O-CG 3.4Å; T8-R12 PolarHBondContact O-N 2.96Å; T8-R12 VanDerWaalsContact O-N 3.08Å; W9-R12 WeakPolarHBondContact O-CB 3.36Å; W9-R12 PolarHBondContact O-N 3.02Å; W10-R12 VanDerWaalsContact C-N 3.27Å; W10-R12 PolarHBondContact O-N 3.21Å; R12-S15 PolarHBondContact O-N 3.43Å; R12-K16 WeakPolarHBondContact O-CG 3.32Å; R12-K16 PolarHBondContact O-N 3.26Å; R12-K16 VanDerWaalsContact O-N 3.12Å; R12-H65 VanDerWaalsContact CA-NE2 3.32Å; R12-H65 WeakPolarHBondContact CA-NE2 3.24Å; R12-H65 WeakPolarHBondContact CG-NE2 3.49Å
13F95.2Very high87.1Confident122 Ų12276.9 Ų76.954%0.53537%0.37SS..Hα-helixtrans-60-50.9176.4174.4-103.3000111.9W9 W10 S15 K16 L17W9-F13 PolarHBondContact O-N 3.23Å; W10-F13 PolarHBondContact O-N 3.29Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.93Å; F13-K16 WeakPolarHBondContact O-CB 3.46Å; F13-K16 PolarHBondContact O-N 2.88Å; F13-K16 VanDerWaalsContact O-N 3.16Å; F13-L17 PolarHBondContact O-N 3.44Å
14L95.7Very high89.1Confident21 Ų2176.2 Ų76.211%0.1136%0.364CS..Hα-helixtrans-66.3-33.1179.7-70.3-174.9000112.9W10 K16 L17 L18 F182 W183 F186W10-L14 HydrophobicContact CE3-CD1 3.65Å; W10-L14 HydrophobicContact CE3-CG 4.4Å; W10-L14 HydrophobicContact CZ3-CD1 3.84Å; W10-L14 WeakPolarHBondContact O-CB 3.28Å; W10-L14 WeakPolarHBondContact O-CG 3.37Å; W10-L14 PolarHBondContact O-N 2.98Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.43Å; L14-L17 HydrophobicContact CD2-CD2 4.22Å; L14-L17 WeakPolarHBondContact O-CB 3.28Å; L14-L17 PolarHBondContact O-N 3.35Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.46Å; L14-F182 HydrophobicContact CB-CE1 3.87Å; L14-F182 HydrophobicContact CB-CZ 4.05Å; L14-F182 HydrophobicContact CD1-CE1 3.98Å; L14-W183 HydrophobicContact CD1-CE3 4.29Å; L14-W183 HydrophobicContact CD1-CH2 3.46Å; L14-W183 VanDerWaalsContact CD1-CH2 3.46Å; L14-W183 HydrophobicContact CD1-CZ2 4.4Å; L14-W183 HydrophobicContact CD1-CZ3 3.39Å; L14-F186 HydrophobicContact CB-CD2 4.02Å; L14-F186 HydrophobicContact CB-CE2 3.76Å; L14-F186 HydrophobicContact CD1-CD2 4.29Å; L14-F186 HydrophobicContact CD1-CE2 4.18Å; L14-F186 HydrophobicContact CD1-CZ 4.5Å; L14-F186 HydrophobicContact CD2-CE2 4.02Å; L14-F186 HydrophobicContact CD2-CZ 4.12Å; L14-F186 HydrophobicContact CG-CE2 4.21Å
15S93.1Very high90.8Very high0 Ų070.6 Ų70.60%034%0.337CS..Hα-helixtrans-65.3-37.4174.2-59.70000111.7Q11 R12 F13 R19 H65 I66 F182Q11-S15 VanDerWaalsContact O-CB 3.27Å; Q11-S15 WeakPolarHBondContact O-CB 3.46Å; Q11-S15 PolarHBondContact O-N 3.1Å; Q11-S15 PolarHBondContact O-OG 3.15Å; R12-S15 PolarHBondContact O-N 3.43Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.93Å; S15-R19 WeakPolarHBondContact O-CG 3.35Å; S15-R19 PolarHBondContact O-N 3.12Å; S15-H65 VanDerWaalsContact CB-CD2 3.44Å; S15-H65 WeakPolarHBondContact CB-CD2 3.28Å; S15-H65 PolarHBondContact OG-CD2 3.4Å; S15-I66 WeakPolarHBondContact OG-CG1 3.46Å; S15-F182 WeakPolarHBondContact OG-CE2 3.48Å
16K91.9Very high91.9Very high145 Ų14567.8 Ų67.863%0.6332%0.318SS*.Hα-helixtrans-65.3-40.2171.2-69.2177.9-179.5-175.70111.8R12 F13 L14 R19R12-K16 WeakPolarHBondContact O-CG 3.32Å; R12-K16 PolarHBondContact O-N 3.26Å; R12-K16 VanDerWaalsContact O-N 3.12Å; F13-K16 WeakPolarHBondContact O-CB 3.46Å; F13-K16 PolarHBondContact O-N 2.88Å; F13-K16 VanDerWaalsContact O-N 3.16Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.43Å; K16-R19 PolarHBondContact O-N 2.86Å
17L93.1Very high92.4Very high91 Ų9160.9 Ų60.948%0.47629%0.285SS..Hα-helixtrans-60-47.5176-17084.6000111.4F13 L14 R19 M20 F186F13-L17 PolarHBondContact O-N 3.44Å; L14-L17 HydrophobicContact CD2-CD2 4.22Å; L14-L17 WeakPolarHBondContact O-CB 3.28Å; L14-L17 PolarHBondContact O-N 3.35Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 2.93Å; L17-M20 VanDerWaalsContact O-CB 3.31Å; L17-M20 WeakPolarHBondContact O-CB 3.44Å; L17-M20 WeakPolarHBondContact O-CG 3.48Å; L17-M20 PolarHBondContact O-N 3.32Å; L17-M20 VanDerWaalsContact O-N 3.09Å; L17-F186 HydrophobicContact CD2-CZ 4.34Å
18L92.5Very high92.7Very high1 Ų160 Ų601%0.00528%0.281CS..Hα-helixtrans-58.2-39.6177.4-72.9178000112L14 M20 G21 I66 F186 I189 L190 Q193L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.46Å; L18-M20 PolarHBondContact O-N 3.26Å; L18-M20 VanDerWaalsContact O-N 3.13Å; L18-G21 PolarHBondContact O-N 3.46Å; L18-G21 VanDerWaalsContact O-N 3.11Å; L18-I66 HydrophobicContact CB-CG2 4.34Å; L18-I66 HydrophobicContact CD1-CD1 3.91Å; L18-I66 HydrophobicContact CD1-CG1 4.21Å; L18-I66 HydrophobicContact CD1-CG2 4.18Å; L18-F186 HydrophobicContact CD1-CD2 3.54Å; L18-F186 HydrophobicContact CD1-CE2 4.05Å; L18-F186 HydrophobicContact CD1-CG 4.41Å; L18-F186 HydrophobicContact CD2-CD2 3.79Å; L18-F186 HydrophobicContact CD2-CE2 3.61Å; L18-F186 HydrophobicContact CD2-CZ 4.25Å; L18-F186 HydrophobicContact CG-CD2 3.65Å; L18-F186 HydrophobicContact CG-CE2 3.59Å; L18-I189 HydrophobicContact CD1-CB 4.24Å; L18-I189 HydrophobicContact CD1-CD1 3.97Å; L18-I189 HydrophobicContact CD1-CG2 4.14Å; L18-I189 HydrophobicContact CD2-CB 4.3Å; L18-I189 HydrophobicContact CD2-CG2 3.92Å; L18-I189 HydrophobicContact CG-CG2 4.44Å; L18-L190 HydrophobicContact CD2-CD2 3.77Å; L18-L190 HydrophobicContact CD2-CG 4.04Å; L18-Q193 PolarHBondContact O-NE2 3Å
19R91.4Very high92.6Very high123 Ų12357.5 Ų57.546%0.46427%0.265SS..THydrogen-bonded Turntrans-64.9-11.6178.7-73.3172.9174.5-166.3-4.2114.5S15 K16 L17 G21 H65 I66S15-R19 WeakPolarHBondContact O-CG 3.35Å; S15-R19 PolarHBondContact O-N 3.12Å; K16-R19 PolarHBondContact O-N 2.86Å; L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 2.93Å; R19-G21 VanDerWaalsContact C-N 3.25Å; R19-H65 PolarHBondContact NE-O 3.36Å; R19-H65 PolarHBondContact NH2-O 3.11Å; R19-I66 VanDerWaalsContact CG-O 3.22Å; R19-I66 WeakPolarHBondContact CG-O 3.43Å; R19-I66 VanDerWaalsContact NE-C 3.27Å; R19-I66 PolarHBondContact NE-O 2.84Å
20M90.6Very high92.5Very high166 Ų16648.5 Ų48.582%0.81823%0.232SC*.THydrogen-bonded Turntrans-74.7-17.7174.2-59.6-60.3-6300112.5L17 L18L17-M20 VanDerWaalsContact O-CB 3.31Å; L17-M20 WeakPolarHBondContact O-CB 3.44Å; L17-M20 WeakPolarHBondContact O-CG 3.48Å; L17-M20 PolarHBondContact O-N 3.32Å; L17-M20 VanDerWaalsContact O-N 3.09Å; L18-M20 PolarHBondContact O-N 3.26Å; L18-M20 VanDerWaalsContact O-N 3.13Å
21G89.8Confident92.3Very high28 Ų2846.6 Ų46.629%0.28923%0.226SC..SBendtrans-110.2-178.5172.400000112.3L18 R19 I23L18-G21 PolarHBondContact O-N 3.46Å; L18-G21 VanDerWaalsContact O-N 3.11Å; R19-G21 VanDerWaalsContact C-N 3.25Å; G21-I23 PolarHBondContact O-N 2.89Å
22P91.6Very high92.1Very high39 Ų3948.2 Ų48.225%0.25324%0.235SC..  trans-62.1132.5173.925.1-30.9000110Q193 Y196 V201P22-Q193 HydrophobicContact CG-CG 4.16Å; P22-Q193 WeakPolarHBondContact O-CG 3.42Å; P22-Q193 PolarHBondContact O-NE2 3.49Å; P22-Y196 HydrophobicContact CB-CD1 3.89Å; P22-Y196 HydrophobicContact CB-CD2 3.88Å; P22-Y196 HydrophobicContact CB-CE1 4.07Å; P22-Y196 HydrophobicContact CB-CE2 4.02Å; P22-Y196 HydrophobicContact CB-CG 3.79Å; P22-Y196 HydrophobicContact CG-CD1 3.67Å; P22-Y196 HydrophobicContact CG-CD2 4.1Å; P22-Y196 HydrophobicContact CG-CE1 4.32Å; P22-Y196 HydrophobicContact CG-CG 3.54Å; P22-V201 HydrophobicContact CB-CG2 4.38Å
23I92.9Very high92.1Very high49 Ų4943.5 Ų43.525%0.25122%0.218SC..  trans-112.9143.3173.758.8170.1000109.2G21 S25 I66G21-I23 PolarHBondContact O-N 2.89Å; I23-S25 PolarHBondContact O-N 3.28Å; I23-I66 WeakPolarHBondContact CD1-O 3.29Å; I23-I66 HydrophobicContact CG2-CG2 4.33Å
24P93Very high91.9Very high0 Ų038.6 Ų38.60%020%0.197CC..  trans-63.4131.2173.327.4-33.1000109.1H26 I27 I68 D146 L147 F192P24-H26 VanDerWaalsContact C-N 3.34Å; P24-I27 HydrophobicContact CB-CG1 3.99Å; P24-I27 HydrophobicContact CG-CD1 3.75Å; P24-I27 HydrophobicContact CG-CG1 3.65Å; P24-I68 HydrophobicContact CG-CG1 4.32Å; P24-I68 WeakPolarHBondContact O-CG1 3.22Å; P24-D146 HydrophobicContact CB-CB 3.66Å; P24-L147 HydrophobicContact CB-CB 4.08Å; P24-L147 HydrophobicContact CG-CB 4.34Å; P24-L147 HydrophobicContact CG-CD2 4.13Å; P24-F192 HydrophobicContact CB-CD1 4.5Å; P24-F192 HydrophobicContact CB-CE1 4.19Å; P24-F192 HydrophobicContact CB-CE2 4.36Å; P24-F192 HydrophobicContact CB-CZ 4.1Å; P24-F192 HydrophobicContact CG-CD1 4.4Å; P24-F192 HydrophobicContact CG-CE1 4.46Å
25S89.7Confident91.7Very high38 Ų3842.8 Ų42.827%0.26621%0.211SC..SBendtrans-70.8-35.2170.3-72.30000111.2I23 R69 E70 D146I23-S25 PolarHBondContact O-N 3.28Å; S25-R69 PolarHBondContact O-N 3.2Å; S25-R69 PolarHBondContact OG-NH2 3.06Å; S25-E70 PolarHBondContact O-N 2.76Å; S25-D146 WeakPolarHBondContact CA-OD2 3.3Å; S25-D146 WeakPolarHBondContact CB-OD2 3.33Å; S25-D146 PolarHBondContact N-OD2 3.3Å
26H89.9Confident91.8Very high0 Ų046.6 Ų46.60%023%0.226CC..EExtended strand (participates in β ladder)trans-130.4122.1-179.2-172.8178000111.7P24 E70 T72 S143 D146 L147P24-H26 VanDerWaalsContact C-N 3.34Å; H26-E70 VanDerWaalsContact CA-O 3.3Å; H26-E70 WeakPolarHBondContact CA-O 3.47Å; H26-E70 HydrophobicContact CB-CB 3.91Å; H26-E70 HydrophobicContact CB-CG 4.39Å; H26-E70 PolarHBondContact CD2-O 3.04Å; H26-E70 IonicContact CE1-OE1 3.11Å; H26-E70 PolarHBondContact CE1-OE1 3.48Å; H26-E70 IonicContact ND1-OE1 3.75Å; H26-E70 IonicContact ND1-OE2 3.66Å; H26-T72 PolarHBondContact CE1-OG1 3.46Å; H26-T72 WeakPolarHBondContact NE2-CB 3.35Å; H26-T72 PolarHBondContact NE2-N 2.63Å; H26-T72 PolarHBondContact NE2-OG1 2.61Å; H26-S143 PolarHBondContact CE1-O 3.22Å; H26-S143 PolarHBondContact ND1-O 3.19Å; H26-D146 PolarHBondContact N-OD2 2.98Å; H26-D146 PolarHBondContact O-N 3.49Å; H26-L147 PolarHBondContact O-N 3.47Å
27I92.5Very high92Very high0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-108.5135.2170.3-61.6-175.1000111P24 F29 I68 E70 V71 T72 L147 I149 L185 I189P24-I27 HydrophobicContact CB-CG1 3.99Å; P24-I27 HydrophobicContact CG-CD1 3.75Å; P24-I27 HydrophobicContact CG-CG1 3.65Å; I27-F29 HydrophobicContact CB-CE2 4.28Å; I27-F29 HydrophobicContact CG2-CD2 3.99Å; I27-F29 HydrophobicContact CG2-CE1 4.22Å; I27-F29 HydrophobicContact CG2-CE2 3.54Å; I27-F29 HydrophobicContact CG2-CZ 3.67Å; I27-I68 HydrophobicContact CB-CG2 4.44Å; I27-I68 HydrophobicContact CD1-CD1 3.4Å; I27-I68 VanDerWaalsContact CD1-CD1 3.4Å; I27-I68 HydrophobicContact CD1-CG1 4.01Å; I27-I68 HydrophobicContact CD1-CG2 4.34Å; I27-I68 HydrophobicContact CG1-CD1 4.28Å; I27-I68 HydrophobicContact CG1-CG1 4.4Å; I27-I68 HydrophobicContact CG1-CG2 4.03Å; I27-E70 PolarHBondContact N-O 2.66Å; I27-V71 CarbonylContact O-C 3.36Å; I27-V71 WeakPolarHBondContact O-CA 3.48Å; I27-T72 PolarHBondContact O-N 2.66Å; I27-L147 CarbonylContact C-O 3.43Å; I27-L147 VanDerWaalsContact CA-O 3.31Å; I27-L147 WeakPolarHBondContact CA-O 3.22Å; I27-L147 HydrophobicContact CD1-CD2 3.92Å; I27-L147 HydrophobicContact CG1-CB 4.3Å; I27-L147 HydrophobicContact CG1-CD2 4.16Å; I27-L147 HydrophobicContact CG1-CG 4.43Å; I27-L147 HydrophobicContact CG2-CG 4.46Å; I27-I149 HydrophobicContact CG2-CD1 3.91Å; I27-I149 HydrophobicContact CG2-CG1 4.29Å; I27-L185 HydrophobicContact CD1-CD1 3.98Å; I27-I189 HydrophobicContact CD1-CG1 4.45Å
28A91.7Very high92.1Very high0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-105.5137.4166.600000112T72 P145 L147 V148 I149 F160A28-T72 CarbonylContact C-O 3.51Å; A28-T72 VanDerWaalsContact CA-O 3.23Å; A28-T72 WeakPolarHBondContact CA-O 3.33Å; A28-P145 HydrophobicContact CB-CB 3.85Å; A28-P145 HydrophobicContact CB-CG 3.77Å; A28-L147 PolarHBondContact N-O 3.45Å; A28-V148 HydrophobicContact CB-CG1 4.42Å; A28-V148 HydrophobicContact CB-CG2 4.16Å; A28-V148 CarbonylContact O-C 3.49Å; A28-V148 WeakPolarHBondContact O-CA 3.41Å; A28-I149 PolarHBondContact O-N 3.42Å; A28-F160 HydrophobicContact CB-CE1 3.66Å; A28-F160 HydrophobicContact CB-CZ 3.79Å
29F91.9Very high92.3Very high0 Ų044.8 Ų44.80%021%0.209CC..EExtended strand (participates in β ladder)trans-113.1124.9176.1-67.9-84.2000112.2I27 M31 A59 V71 T72 V73 F74 I149 W177 Y180 L185I27-F29 HydrophobicContact CB-CE2 4.28Å; I27-F29 HydrophobicContact CG2-CD2 3.99Å; I27-F29 HydrophobicContact CG2-CE1 4.22Å; I27-F29 HydrophobicContact CG2-CE2 3.54Å; I27-F29 HydrophobicContact CG2-CZ 3.67Å; F29-M31 HydrophobicContact CB-CG 3.88Å; F29-A59 HydrophobicContact CZ-CB 4.41Å; F29-V71 HydrophobicContact CD2-CG1 3.63Å; F29-V71 HydrophobicContact CE2-CG1 3.73Å; F29-T72 PolarHBondContact N-O 3.08Å; F29-V73 HydrophobicContact CB-CG1 4.4Å; F29-F74 PolarHBondContact O-N 2.88Å; F29-I149 WeakPolarHBondContact CA-O 3.41Å; F29-I149 HydrophobicContact CD1-CB 3.88Å; F29-I149 HydrophobicContact CD1-CD1 4.3Å; F29-I149 HydrophobicContact CD1-CG2 4.15Å; F29-I149 HydrophobicContact CE1-CB 4.06Å; F29-I149 HydrophobicContact CE1-CD1 3.6Å; F29-I149 HydrophobicContact CE1-CG1 4.37Å; F29-I149 HydrophobicContact CE1-CG2 4.27Å; F29-I149 HydrophobicContact CZ-CD1 4.1Å; F29-W177 HydrophobicContact CB-CH2 4.46Å; F29-W177 AromaticContact CD1-CH2 3.98Å; F29-W177 HydrophobicContact CD1-CH2 3.98Å; F29-W177 AromaticContact CD1-CZ3 3.79Å; F29-W177 HydrophobicContact CD1-CZ3 3.79Å; F29-W177 HydrophobicContact CE1-CH2 4.44Å; F29-W177 HydrophobicContact CE1-CZ3 4.29Å; F29-W177 HydrophobicContact CG-CH2 4.21Å; F29-W177 HydrophobicContact CG-CZ3 4.38Å; F29-Y180 HydrophobicContact CE1-CE1 4Å; F29-L185 HydrophobicContact CE1-CD1 4.5Å; F29-L185 HydrophobicContact CZ-CD1 4.08Å
30I91.4Very high92.6Very high9 Ų945.4 Ų45.45%0.04621%0.212CC..EExtended strand (participates in β ladder)trans-95.399.1162.5-55.6176.9000107.3D32 V148 I149 R150 T151 L157 F160I30-D32 VanDerWaalsContact C-N 3.35Å; I30-D32 PolarHBondContact O-N 2.63Å; I30-D32 VanDerWaalsContact O-N 3.1Å; I30-V148 HydrophobicContact CD1-CG1 4.16Å; I30-V148 HydrophobicContact CG1-CG1 4.33Å; I30-I149 PolarHBondContact N-O 3.01Å; I30-R150 HydrophobicContact CB-CB 3.96Å; I30-R150 HydrophobicContact CB-CG 3.95Å; I30-R150 HydrophobicContact CD1-CB 4.23Å; I30-R150 HydrophobicContact CD1-CG 4.46Å; I30-R150 HydrophobicContact CG2-CB 4.5Å; I30-R150 HydrophobicContact CG2-CG 3.94Å; I30-T151 PolarHBondContact O-N 3.15Å; I30-T151 PolarHBondContact O-OG1 3.35Å; I30-L157 HydrophobicContact CD1-CD2 3.94Å; I30-F160 HydrophobicContact CD1-CB 3.72Å; I30-F160 HydrophobicContact CD1-CD1 3.71Å; I30-F160 HydrophobicContact CD1-CG 3.77Å; I30-F160 HydrophobicContact CG1-CB 4.24Å; I30-F160 HydrophobicContact CG1-CD1 3.8Å; I30-F160 HydrophobicContact CG1-CD2 4.33Å; I30-F160 HydrophobicContact CG1-CE1 4.25Å; I30-F160 HydrophobicContact CG1-CG 3.83Å
31M92Very high92.8Very high26 Ų2643.2 Ų43.213%0.12820%0.197CC..  trans-87.363.7-168.7-60.8-175.1-57.100112.2F29 N34 L56 V73 W177F29-M31 HydrophobicContact CB-CG 3.88Å; M31-N34 PolarHBondContact O-ND2 3.45Å; M31-N34 VanDerWaalsContact O-ND2 3.08Å; M31-L56 HydrophobicContact CE-CD2 4.31Å; M31-L56 HydrophobicContact SD-CB 4.11Å; M31-L56 HydrophobicContact SD-CD1 3.97Å; M31-L56 HydrophobicContact SD-CD2 4.1Å; M31-L56 HydrophobicContact SD-CG 4.28Å; M31-V73 HydrophobicContact CE-CB 3.83Å; M31-V73 HydrophobicContact CE-CG1 4.48Å; M31-V73 HydrophobicContact CE-CG2 4.32Å; M31-V73 HydrophobicContact SD-CB 4.13Å; M31-V73 HydrophobicContact SD-CG1 4.15Å; M31-W177 HydrophobicContact CB-CB 4.45Å; M31-W177 HydrophobicContact CB-CD2 3.67Å; M31-W177 HydrophobicContact CB-CE3 4.33Å; M31-W177 HydrophobicContact CB-CG 3.69Å; M31-W177 HydrophobicContact CB-CZ2 4.3Å; M31-W177 HydrophobicContact CG-CD2 3.73Å; M31-W177 VanDerWaalsContact CG-CE2 3.42Å; M31-W177 HydrophobicContact CG-CE3 4.12Å; M31-W177 HydrophobicContact CG-CG 4.29Å; M31-W177 HydrophobicContact CG-CH2 3.95Å; M31-W177 HydrophobicContact CG-CZ2 3.52Å; M31-W177 HydrophobicContact CG-CZ3 4.23Å; M31-W177 HydrophobicContact SD-CD2 4.4Å; M31-W177 HydrophobicContact SD-CH2 4.12Å; M31-W177 HydrophobicContact SD-CZ2 3.3Å; M31-W177 WeakPolarHBondContact SD-CZ2 3.19Å
32D91.1Very high93.1Very high54 Ų5445.3 Ų45.329%0.28922%0.219SC..  trans-91.6159.5-175.9-170.229.9000113.4I30 R36 T151 S152 W177I30-D32 VanDerWaalsContact C-N 3.35Å; I30-D32 PolarHBondContact O-N 2.63Å; I30-D32 VanDerWaalsContact O-N 3.1Å; D32-R36 IonicContact OD2-NH2 3.08Å; D32-R36 PolarHBondContact OD2-NH2 3.19Å; D32-T151 PolarHBondContact N-OG1 3.18Å; D32-T151 VanDerWaalsContact N-OG1 3.08Å; D32-T151 PolarHBondContact O-OG1 2.94Å; D32-S152 WeakPolarHBondContact OD2-CB 3.44Å; D32-S152 PolarHBondContact OD2-OG 2.83Å; D32-W177 WeakPolarHBondContact O-CB 3.31Å; D32-W177 PolarHBondContact O-N 3.03Å
33G92.8Very high93.3Very high1 Ų145.9 Ų45.91%0.0122%0.222CC..  trans103-1.1176.300000114.9R35 R36 Y37G33-R35 PolarHBondContact O-N 3.23Å; G33-R36 PolarHBondContact O-N 2.96Å; G33-R36 VanDerWaalsContact O-N 3.12Å; G33-Y37 WeakPolarHBondContact O-CB 3.06Å; G33-Y37 PolarHBondContact O-N 3.11Å
34N92.3Very high93.2Very high20 Ų2051.5 Ų51.511%0.10724%0.24CC..Hα-helixtrans-52.8-48.6179.4-62.4-45.6000113.2M31 Y37 A38 G52 P178M31-N34 PolarHBondContact O-ND2 3.45Å; M31-N34 VanDerWaalsContact O-ND2 3.08Å; N34-Y37 WeakPolarHBondContact O-CB 3.21Å; N34-Y37 PolarHBondContact O-N 3.08Å; N34-A38 PolarHBondContact O-N 2.74Å; N34-G52 WeakPolarHBondContact OD1-CA 3.42Å; N34-P178 WeakPolarHBondContact OD1-CD 3.23Å; N34-P178 WeakPolarHBondContact OD1-CG 2.93Å
35R91.4Very high93Very high108 Ų10853.3 Ų53.341%0.40825%0.252SS..Hα-helixtrans-69-37.9178.4-63.5-170.7-69.6155.30.7112.7G33 Y37 A38 R39 S45G33-R35 PolarHBondContact O-N 3.23Å; R35-Y37 VanDerWaalsContact C-N 3.32Å; R35-A38 PolarHBondContact O-N 3.08Å; R35-R39 WeakPolarHBondContact O-CG 3.14Å; R35-R39 PolarHBondContact O-N 3.47Å; R35-S45 WeakPolarHBondContact CG-OG 3.35Å
36R94.4Very high92.8Very high80 Ų8054.1 Ų54.130%0.30225%0.252SS..Hα-helixtrans-63-42.9176-83.3-170.4-86.7167.7-12.1110.6D32 G33 R39 R40 S152 E154 L176D32-R36 IonicContact OD2-NH2 3.08Å; D32-R36 PolarHBondContact OD2-NH2 3.19Å; G33-R36 PolarHBondContact O-N 2.96Å; G33-R36 VanDerWaalsContact O-N 3.12Å; R36-R39 PolarHBondContact O-N 3.19Å; R36-R40 WeakPolarHBondContact O-CB 3.46Å; R36-R40 PolarHBondContact O-N 2.97Å; R36-S152 VanDerWaalsContact CZ-O 3.31Å; R36-S152 PolarHBondContact NH1-O 3.37Å; R36-S152 PolarHBondContact NH2-O 2.93Å; R36-S152 PolarHBondContact NH2-OG 3.29Å; R36-E154 IonicContact NH2-OE1 3.68Å; R36-E154 PolarHBondContact NH2-OE1 3.3Å; R36-L176 HydrophobicContact CB-CD1 4.15Å; R36-L176 HydrophobicContact CB-CD2 4.02Å
37Y96.5Very high92.8Very high27 Ų2757.4 Ų57.411%0.10627%0.269CS..Hα-helixtrans-61.2-48.6175179.1-93.4000111.5G33 N34 R35 R39 R40 K41 F51 P178 E179G33-Y37 WeakPolarHBondContact O-CB 3.06Å; G33-Y37 PolarHBondContact O-N 3.11Å; N34-Y37 WeakPolarHBondContact O-CB 3.21Å; N34-Y37 PolarHBondContact O-N 3.08Å; R35-Y37 VanDerWaalsContact C-N 3.32Å; Y37-R39 PolarHBondContact O-N 3.23Å; Y37-R40 PolarHBondContact O-N 3.45Å; Y37-R40 VanDerWaalsContact O-N 3.16Å; Y37-K41 HydrophobicContact CD1-CG 4.33Å; Y37-K41 HydrophobicContact CE1-CG 3.86Å; Y37-K41 HydrophobicContact CE2-CG 4.16Å; Y37-K41 PolarHBondContact O-N 2.98Å; Y37-K41 WeakPolarHBondContact OH-CE 3.14Å; Y37-F51 HydrophobicContact CD1-CB 4.47Å; Y37-F51 HydrophobicContact CD1-CD2 4.13Å; Y37-F51 HydrophobicContact CE1-CB 4.03Å; Y37-F51 AromaticContact CE1-CD2 3.5Å; Y37-F51 HydrophobicContact CE1-CD2 3.5Å; Y37-F51 HydrophobicContact CE1-CE2 4.13Å; Y37-F51 AromaticContact CE1-CG 3.88Å; Y37-F51 HydrophobicContact CE1-CG 3.88Å; Y37-P178 HydrophobicContact CD1-CB 3.61Å; Y37-P178 HydrophobicContact CD1-CG 3.8Å; Y37-P178 HydrophobicContact CD2-CB 3.83Å; Y37-P178 HydrophobicContact CD2-CG 4.31Å; Y37-P178 HydrophobicContact CE1-CB 3.87Å; Y37-P178 HydrophobicContact CE2-CB 4.09Å; Y37-P178 HydrophobicContact CG-CB 3.59Å; Y37-P178 HydrophobicContact CG-CG 3.68Å; Y37-E179 HydrophobicContact CD2-CG 3.71Å; Y37-E179 HydrophobicContact CE2-CG 3.51Å
38A95.5Very high92.7Very high1 Ų157.4 Ų57.41%0.00827%0.269CS..Hα-helixtrans-55.5-49.617700000112.4N34 R35 R40 K41 G42 V43N34-A38 PolarHBondContact O-N 2.74Å; R35-A38 PolarHBondContact O-N 3.08Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 3.48Å; A38-K41 CarbonylContact O-C 3.56Å; A38-K41 PolarHBondContact O-N 2.72Å; A38-K41 VanDerWaalsContact O-N 3.16Å; A38-G42 PolarHBondContact O-N 2.76Å; A38-V43 CarbonylContact C-O 3.53Å; A38-V43 HydrophobicContact CB-CG2 3.96Å; A38-V43 PolarHBondContact O-N 2.88Å
39R96.4Very high92.6Very high172 Ų17259.2 Ų59.265%0.64928%0.277SS*.Hα-helixtrans-59-44.1176.8-71.2-168.1-57.2-123.98111.9R35 R36 Y37 K41 G42R35-R39 WeakPolarHBondContact O-CG 3.14Å; R35-R39 PolarHBondContact O-N 3.47Å; R36-R39 PolarHBondContact O-N 3.19Å; Y37-R39 PolarHBondContact O-N 3.23Å; R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 2.75Å; R39-G42 PolarHBondContact O-N 2.88Å; R39-G42 VanDerWaalsContact O-N 3.11Å
40R96.7Very high92.3Very high136 Ų13661.9 Ų61.951%0.51329%0.29SS..Hα-helixtrans-64.8-31.5179.1-166.1-177.963.8-161.9-11.8112.5R36 Y37 A38 E179R36-R40 WeakPolarHBondContact O-CB 3.46Å; R36-R40 PolarHBondContact O-N 2.97Å; Y37-R40 PolarHBondContact O-N 3.45Å; Y37-R40 VanDerWaalsContact O-N 3.16Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 3.48Å; R40-E179 IonicContact CZ-OE1 3.52Å; R40-E179 IonicContact CZ-OE2 3.75Å; R40-E179 IonicContact NH1-OE1 2.63Å; R40-E179 PolarHBondContact NH1-OE1 2.86Å; R40-E179 IonicContact NH1-OE2 3.92Å; R40-E179 PolarHBondContact NH1-OE2 3.45Å; R40-E179 IonicContact NH2-OE1 3.75Å; R40-E179 PolarHBondContact NH2-OE1 3.33Å; R40-E179 IonicContact NH2-OE2 3.92Å; R40-E179 PolarHBondContact NH2-OE2 2.79Å
41K95.9Very high92.3Very high119 Ų11964.6 Ų64.652%0.51730%0.301SS..Hα-helixtrans-85.8-3.5175.3-69.4-66.4-172.9178.50113.8Y37 A38 R39 V43Y37-K41 HydrophobicContact CD1-CG 4.33Å; Y37-K41 HydrophobicContact CE1-CG 3.86Å; Y37-K41 HydrophobicContact CE2-CG 4.16Å; Y37-K41 PolarHBondContact O-N 2.98Å; Y37-K41 WeakPolarHBondContact OH-CE 3.14Å; A38-K41 CarbonylContact O-C 3.56Å; A38-K41 PolarHBondContact O-N 2.72Å; A38-K41 VanDerWaalsContact O-N 3.16Å; R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 2.75Å; K41-V43 HydrophobicContact CB-CG1 4.31Å; K41-V43 HydrophobicContact CB-CG2 4.03Å; K41-V43 PolarHBondContact O-N 3.08Å
42G96.6Very high92.3Very high72 Ų7263.5 Ų63.574%0.74230%0.297SS*.THydrogen-bonded Turntrans67.222.7-17600000113.8A38 R39A38-G42 PolarHBondContact O-N 2.76Å; R39-G42 PolarHBondContact O-N 2.88Å; R39-G42 VanDerWaalsContact O-N 3.11Å
43V95Very high92.1Very high51 Ų5162.2 Ų62.231%0.30929%0.289SS..  trans-108165.2-179.2-59.60000111.2A38 K41 L47 F51A38-V43 CarbonylContact C-O 3.53Å; A38-V43 HydrophobicContact CB-CG2 3.96Å; A38-V43 PolarHBondContact O-N 2.88Å; K41-V43 HydrophobicContact CB-CG1 4.31Å; K41-V43 HydrophobicContact CB-CG2 4.03Å; K41-V43 PolarHBondContact O-N 3.08Å; V43-L47 HydrophobicContact CB-CB 4.28Å; V43-L47 HydrophobicContact CB-CD1 3.96Å; V43-L47 HydrophobicContact CG1-CD1 4.37Å; V43-L47 HydrophobicContact CG2-CB 4.07Å; V43-F51 HydrophobicContact CG2-CE2 4.43Å
44R91.6Very high91.9Very high168 Ų16864.7 Ų64.763%0.63430%0.3SS*.  trans-65.5153.2177.2-58174.246.8161.2-1.4112E46 L47 G48R44-E46 WeakPolarHBondContact CB-OE2 3.36Å; R44-E46 IonicContact CZ-OE1 3.48Å; R44-E46 IonicContact CZ-OE2 3.01Å; R44-E46 IonicContact NE-OE1 3.12Å; R44-E46 IonicContact NE-OE2 3.75Å; R44-E46 PolarHBondContact NE-OE2 3Å; R44-E46 VanDerWaalsContact NE-OE2 3.11Å; R44-E46 VanDerWaalsContact NH2-CD 3.28Å; R44-E46 IonicContact NH2-OE1 3.22Å; R44-E46 PolarHBondContact NH2-OE1 2.99Å; R44-E46 IonicContact NH2-OE2 3.54Å; R44-E46 PolarHBondContact O-N 2.97Å; R44-L47 PolarHBondContact O-N 3.16Å; R44-L47 VanDerWaalsContact O-N 3.13Å; R44-G48 PolarHBondContact O-N 3.46Å
45S88.1Confident91.9Very high38 Ų3864.1 Ų64.127%0.26630%0.298SS..Hα-helixtrans-54.4-39.9-179.6-174.60000112.5R35 L47 G48 H49R35-S45 WeakPolarHBondContact CG-OG 3.35Å; S45-L47 VanDerWaalsContact C-N 3.35Å; S45-L47 PolarHBondContact O-N 3.41Å; S45-G48 WeakPolarHBondContact O-CA 3.35Å; S45-G48 PolarHBondContact O-N 3.11Å; S45-H49 PolarHBondContact O-CD2 3.35Å; S45-H49 VanDerWaalsContact O-CD2 3.32Å; S45-H49 PolarHBondContact O-N 3.38Å; S45-H49 VanDerWaalsContact O-N 3.15Å
46E85.6Confident91.8Very high55 Ų5559 Ų5926%0.25728%0.279SS..Hα-helixtrans-60.4-43.1-179.8-56.889.1156.400111.5R44 G48 H49 E50 V90 I94R44-E46 WeakPolarHBondContact CB-OE2 3.36Å; R44-E46 IonicContact CZ-OE1 3.48Å; R44-E46 IonicContact CZ-OE2 3.01Å; R44-E46 IonicContact NE-OE1 3.12Å; R44-E46 IonicContact NE-OE2 3.75Å; R44-E46 PolarHBondContact NE-OE2 3Å; R44-E46 VanDerWaalsContact NE-OE2 3.11Å; R44-E46 VanDerWaalsContact NH2-CD 3.28Å; R44-E46 IonicContact NH2-OE1 3.22Å; R44-E46 PolarHBondContact NH2-OE1 2.99Å; R44-E46 IonicContact NH2-OE2 3.54Å; R44-E46 PolarHBondContact O-N 2.97Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 3.04Å; E46-H49 WeakPolarHBondContact O-CB 3.37Å; E46-H49 PolarHBondContact O-N 3.16Å; E46-H49 VanDerWaalsContact O-N 3.09Å; E46-E50 PolarHBondContact O-N 2.79Å; E46-V90 HydrophobicContact CG-CG1 4.1Å; E46-I94 HydrophobicContact CB-CD1 4.4Å
47L89.4Confident91.4Very high68 Ų6855.8 Ų55.836%0.35627%0.27SS..Hα-helixtrans-63.2-36.3175.2-71.9173.6000111.5V43 R44 S45 H49 E50 F51V43-L47 HydrophobicContact CB-CB 4.28Å; V43-L47 HydrophobicContact CB-CD1 3.96Å; V43-L47 HydrophobicContact CG1-CD1 4.37Å; V43-L47 HydrophobicContact CG2-CB 4.07Å; R44-L47 PolarHBondContact O-N 3.16Å; R44-L47 VanDerWaalsContact O-N 3.13Å; S45-L47 VanDerWaalsContact C-N 3.35Å; S45-L47 PolarHBondContact O-N 3.41Å; L47-H49 VanDerWaalsContact C-N 3.28Å; L47-H49 PolarHBondContact O-N 2.96Å; L47-E50 PolarHBondContact O-N 3.41Å; L47-E50 VanDerWaalsContact O-N 3.14Å; L47-F51 HydrophobicContact CB-CE2 4.2Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 WeakPolarHBondContact O-CG 3.47Å; L47-F51 PolarHBondContact O-N 2.61Å
48G91.3Very high91.1Very high0 Ų056.7 Ų56.70%028%0.275CS..Hα-helixtrans-58.4-39.7172.300000113.4R44 S45 E46 G52R44-G48 PolarHBondContact O-N 3.46Å; S45-G48 WeakPolarHBondContact O-CA 3.35Å; S45-G48 PolarHBondContact O-N 3.11Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 3.04Å; G48-G52 PolarHBondContact O-N 3.12Å
49H88Confident90.9Very high38 Ų3856.6 Ų56.618%0.17628%0.275CS..Hα-helixtrans-71.3-33.7174.9-77.1-80.1000112.4S45 E46 L47 G52 F53 L91S45-H49 PolarHBondContact O-CD2 3.35Å; S45-H49 VanDerWaalsContact O-CD2 3.32Å; S45-H49 PolarHBondContact O-N 3.38Å; S45-H49 VanDerWaalsContact O-N 3.15Å; E46-H49 WeakPolarHBondContact O-CB 3.37Å; E46-H49 PolarHBondContact O-N 3.16Å; E46-H49 VanDerWaalsContact O-N 3.09Å; L47-H49 VanDerWaalsContact C-N 3.28Å; L47-H49 PolarHBondContact O-N 2.96Å; H49-G52 PolarHBondContact O-N 3.31Å; H49-F53 PolarHBondContact O-N 3.4Å; H49-L91 HydrophobicContact CB-CD2 4.13Å; H49-L91 WeakPolarHBondContact CD2-CD2 3.32Å
50E87Confident90.5Very high56 Ų5648.7 Ų48.726%0.26225%0.245SC..Hα-helixtrans-63.6-46172.2-66.3-164.6153.300112E46 L47 G52 F53 E54 R97E46-E50 PolarHBondContact O-N 2.79Å; L47-E50 PolarHBondContact O-N 3.41Å; L47-E50 VanDerWaalsContact O-N 3.14Å; E50-G52 VanDerWaalsContact C-N 3.29Å; E50-G52 PolarHBondContact O-N 2.84Å; E50-F53 WeakPolarHBondContact O-CB 3.1Å; E50-F53 PolarHBondContact O-N 2.98Å; E50-E54 PolarHBondContact O-N 2.74Å; E50-E54 VanDerWaalsContact O-N 3.11Å; E50-R97 IonicContact OE1-NH2 3.86Å
51F91.3Very high90Very high66 Ų6644.5 Ų44.529%0.28923%0.231SC..Hα-helixtrans-62.5-36.4173.6-64.3-59.5000112.2Y37 V43 L47 F53 E54 A55 P178Y37-F51 HydrophobicContact CD1-CB 4.47Å; Y37-F51 HydrophobicContact CD1-CD2 4.13Å; Y37-F51 HydrophobicContact CE1-CB 4.03Å; Y37-F51 AromaticContact CE1-CD2 3.5Å; Y37-F51 HydrophobicContact CE1-CD2 3.5Å; Y37-F51 HydrophobicContact CE1-CE2 4.13Å; Y37-F51 AromaticContact CE1-CG 3.88Å; Y37-F51 HydrophobicContact CE1-CG 3.88Å; V43-F51 HydrophobicContact CG2-CE2 4.43Å; L47-F51 HydrophobicContact CB-CE2 4.2Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 WeakPolarHBondContact O-CG 3.47Å; L47-F51 PolarHBondContact O-N 2.61Å; F51-F53 VanDerWaalsContact C-N 3.26Å; F51-F53 PolarHBondContact O-N 3.45Å; F51-E54 WeakPolarHBondContact O-CB 3.23Å; F51-E54 PolarHBondContact O-N 2.97Å; F51-A55 PolarHBondContact O-N 3.17Å; F51-P178 HydrophobicContact CB-CB 3.84Å; F51-P178 HydrophobicContact CB-CG 4.41Å
52G91.4Very high89.8Confident3 Ų339.4 Ų39.43%0.03121%0.208CC..Hα-helixtrans-61.2-35.8172.200000112.6N34 G48 H49 E50 A55 L56 W177N34-G52 WeakPolarHBondContact OD1-CA 3.42Å; G48-G52 PolarHBondContact O-N 3.12Å; H49-G52 PolarHBondContact O-N 3.31Å; E50-G52 VanDerWaalsContact C-N 3.29Å; E50-G52 PolarHBondContact O-N 2.84Å; G52-A55 PolarHBondContact O-N 3.41Å; G52-L56 PolarHBondContact O-N 3.03Å; G52-W177 VanDerWaalsContact CA-CD1 3.45Å; G52-W177 PolarHBondContact O-NE1 3.41Å
53F87Confident89.6Confident27 Ų2736 Ų3612%0.11817%0.173CC..Hα-helixtrans-69.1-37.1174.9-166.9-89.8000112.5H49 E50 F51 A55 L56 A57 K98 F99 L102H49-F53 PolarHBondContact O-N 3.4Å; E50-F53 WeakPolarHBondContact O-CB 3.1Å; E50-F53 PolarHBondContact O-N 2.98Å; F51-F53 VanDerWaalsContact C-N 3.26Å; F51-F53 PolarHBondContact O-N 3.45Å; F53-A55 VanDerWaalsContact C-N 3.35Å; F53-L56 HydrophobicContact CD2-CD2 4.4Å; F53-L56 HydrophobicContact CE2-CD2 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.42Å; F53-L56 PolarHBondContact O-N 3.1Å; F53-A57 PolarHBondContact O-N 3.38Å; F53-K98 HydrophobicContact CD1-CB 3.73Å; F53-K98 HydrophobicContact CD1-CD 3.68Å; F53-K98 HydrophobicContact CD1-CG 4.03Å; F53-K98 HydrophobicContact CD2-CB 3.46Å; F53-K98 VanDerWaalsContact CD2-CB 3.46Å; F53-K98 HydrophobicContact CD2-CG 4.23Å; F53-K98 HydrophobicContact CE1-CB 3.62Å; F53-K98 HydrophobicContact CE1-CD 4.01Å; F53-K98 HydrophobicContact CE1-CG 4.32Å; F53-K98 HydrophobicContact CE2-CB 3.36Å; F53-K98 HydrophobicContact CG-CB 3.65Å; F53-K98 HydrophobicContact CG-CD 4.09Å; F53-K98 HydrophobicContact CG-CG 3.98Å; F53-K98 HydrophobicContact CZ-CB 3.45Å; F53-K98 VanDerWaalsContact CZ-CB 3.45Å; F53-K98 WeakPolarHBondContact CZ-O 3.28Å; F53-F99 HydrophobicContact CE2-CD1 4.38Å; F53-F99 HydrophobicContact CE2-CD2 4.36Å; F53-F99 HydrophobicContact CE2-CG 4.3Å; F53-L102 HydrophobicContact CE1-CB 4.33Å; F53-L102 HydrophobicContact CE2-CD2 4.24Å; F53-L102 HydrophobicContact CZ-CB 3.71Å; F53-L102 HydrophobicContact CZ-CD2 3.74Å; F53-L102 HydrophobicContact CZ-CG 4.33Å
54E87.9Confident89.2Confident53 Ų5336.6 Ų36.625%0.24817%0.174CC..Hα-helixtrans-62.2-42.9173.7-67.2174-170.200111.6F2 E50 F51 L56 A57 M58F2-E54 HydrophobicContact CD1-CG 4.01Å; F2-E54 HydrophobicContact CD2-CG 4.14Å; F2-E54 HydrophobicContact CE1-CG 4.06Å; F2-E54 WeakPolarHBondContact CE1-OE1 3.43Å; F2-E54 HydrophobicContact CE2-CG 4.2Å; F2-E54 HydrophobicContact CG-CG 4.05Å; F2-E54 HydrophobicContact CZ-CG 4.15Å; F2-E54 WeakPolarHBondContact CZ-OE1 3.05Å; E50-E54 PolarHBondContact O-N 2.74Å; E50-E54 VanDerWaalsContact O-N 3.11Å; F51-E54 WeakPolarHBondContact O-CB 3.23Å; F51-E54 PolarHBondContact O-N 2.97Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.08Å; E54-A57 PolarHBondContact O-N 3.09Å; E54-M58 WeakPolarHBondContact O-CG 3.48Å; E54-M58 PolarHBondContact O-N 3.41Å; E54-M58 VanDerWaalsContact O-N 3.08Å
55A92.6Very high89Confident8 Ų831 Ų317%0.06616%0.155CC..Hα-helixtrans-60-38.5173.800000112F51 G52 F53 M58 A59 W177F51-A55 PolarHBondContact O-N 3.17Å; G52-A55 PolarHBondContact O-N 3.41Å; F53-A55 VanDerWaalsContact C-N 3.35Å; A55-M58 PolarHBondContact O-N 3Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.02Å; A55-W177 HydrophobicContact CB-CD2 4.45Å; A55-W177 HydrophobicContact CB-CZ2 4.3Å; A55-W177 WeakPolarHBondContact CB-O 3.47Å
56L89.7Confident89.1Confident1 Ų129.2 Ų29.21%0.00514%0.143CC..Hα-helixtrans-62.3-47.6174.2175.156.6000112.6M31 G52 F53 E54 M58 A59 L60 V73 F99 L102 W177M31-L56 HydrophobicContact CE-CD2 4.31Å; M31-L56 HydrophobicContact SD-CB 4.11Å; M31-L56 HydrophobicContact SD-CD1 3.97Å; M31-L56 HydrophobicContact SD-CD2 4.1Å; M31-L56 HydrophobicContact SD-CG 4.28Å; G52-L56 PolarHBondContact O-N 3.03Å; F53-L56 HydrophobicContact CD2-CD2 4.4Å; F53-L56 HydrophobicContact CE2-CD2 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.42Å; F53-L56 PolarHBondContact O-N 3.1Å; E54-L56 VanDerWaalsContact C-N 3.28Å; E54-L56 PolarHBondContact O-N 3.08Å; L56-M58 VanDerWaalsContact C-N 3.26Å; L56-M58 PolarHBondContact O-N 3.08Å; L56-A59 PolarHBondContact O-N 3.32Å; L56-L60 HydrophobicContact CD1-CD1 3.8Å; L56-L60 HydrophobicContact CD1-CD2 4.43Å; L56-L60 HydrophobicContact CD1-CG 3.83Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 HydrophobicContact CG-CG 4.43Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.15Å; L56-V73 HydrophobicContact CD1-CG1 3.54Å; L56-V73 HydrophobicContact CD2-CG1 4.37Å; L56-V73 HydrophobicContact CD2-CG2 4.39Å; L56-F99 HydrophobicContact CD2-CE1 3.65Å; L56-F99 HydrophobicContact CD2-CZ 3.79Å; L56-L102 HydrophobicContact CD2-CD2 4.2Å; L56-L102 HydrophobicContact CG-CD2 4.35Å; L56-W177 HydrophobicContact CB-CZ2 3.89Å; L56-W177 HydrophobicContact CD1-CZ2 4.36Å
57A86.2Confident89.3Confident13 Ų1327.8 Ų27.811%0.10714%0.143CC..Hα-helixtrans-57.6-42.8177.600000111.3F53 E54 K61 L102F53-A57 PolarHBondContact O-N 3.38Å; E54-A57 PolarHBondContact O-N 3.09Å; A57-K61 PolarHBondContact O-N 3.43Å; A57-K61 VanDerWaalsContact O-N 3.08Å; A57-L102 HydrophobicContact CB-CD1 4.42Å
58M89.6Confident89.3Confident45 Ų4524.6 Ų24.622%0.22213%0.126CC..Hα-helixtrans-65.6-44.1176-68.3-58-63.400112.6E54 A55 L56 L60 K61 W62E54-M58 WeakPolarHBondContact O-CG 3.48Å; E54-M58 PolarHBondContact O-N 3.41Å; E54-M58 VanDerWaalsContact O-N 3.08Å; A55-M58 PolarHBondContact O-N 3Å; L56-M58 VanDerWaalsContact C-N 3.26Å; L56-M58 PolarHBondContact O-N 3.08Å; M58-L60 PolarHBondContact O-N 3.33Å; M58-K61 WeakPolarHBondContact O-CB 3.47Å; M58-K61 PolarHBondContact O-N 3.06Å; M58-W62 HydrophobicContact CB-CH2 3.79Å; M58-W62 HydrophobicContact CB-CZ2 3.8Å; M58-W62 HydrophobicContact CB-CZ3 4.28Å; M58-W62 HydrophobicContact CE-CZ2 3.77Å; M58-W62 VanDerWaalsContact O-CD2 3.22Å; M58-W62 VanDerWaalsContact O-CG 3.29Å; M58-W62 PolarHBondContact O-N 3.17Å
59A92.6Very high89Confident0 Ų032.7 Ų32.70%016%0.157CC..Hα-helixtrans-60-44.4177.600000112F29 A55 L56 K61 W62 C63 W177F29-A59 HydrophobicContact CZ-CB 4.41Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.02Å; L56-A59 PolarHBondContact O-N 3.32Å; A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.39Å; A59-W62 HydrophobicContact CB-CE3 4.42Å; A59-W62 PolarHBondContact O-N 2.69Å; A59-C63 WeakPolarHBondContact O-CB 3.41Å; A59-C63 PolarHBondContact O-N 3.02Å; A59-C63 PolarHBondContact O-SG 3.28Å; A59-W177 HydrophobicContact CB-CH2 3.91Å
60L87.7Confident88.9Confident5 Ų531.3 Ų31.33%0.02615%0.15CC..Hα-helixtrans-64.2-36.4176.2-69.6170.6000112.4L56 M58 C63 N64 V71 L102 L106 R112 L114L56-L60 HydrophobicContact CD1-CD1 3.8Å; L56-L60 HydrophobicContact CD1-CD2 4.43Å; L56-L60 HydrophobicContact CD1-CG 3.83Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 HydrophobicContact CG-CG 4.43Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.15Å; M58-L60 PolarHBondContact O-N 3.33Å; L60-C63 PolarHBondContact O-N 2.93Å; L60-N64 PolarHBondContact O-N 2.92Å; L60-V71 HydrophobicContact CD2-CB 3.62Å; L60-V71 HydrophobicContact CD2-CG1 3.61Å; L60-V71 HydrophobicContact CD2-CG2 3.85Å; L60-L102 HydrophobicContact CD1-CD1 3.91Å; L60-L102 HydrophobicContact CD1-CD2 3.47Å; L60-L102 VanDerWaalsContact CD1-CD2 3.47Å; L60-L102 HydrophobicContact CD1-CG 4.06Å; L60-L106 HydrophobicContact CD1-CD1 4.46Å; L60-R112 PolarHBondContact O-NH1 2.86Å; L60-L114 HydrophobicContact CD1-CD1 4.12Å; L60-L114 HydrophobicContact CD1-CD2 3.98Å; L60-L114 HydrophobicContact CD2-CD1 3.8Å
61K85.8Confident89Confident48 Ų4828.9 Ų28.921%0.20914%0.139CC..Hα-helixtrans-63.2-45.5173.8-174.3171.8-172.7160.60111.6A3 S5 L7 A57 M58 A59 N64 H65A3-K61 PolarHBondContact O-NZ 3.13Å; S5-K61 WeakPolarHBondContact O-CE 3.22Å; S5-K61 PolarHBondContact O-NZ 3.21Å; L7-K61 HydrophobicContact CD2-CG 4.37Å; A57-K61 PolarHBondContact O-N 3.43Å; A57-K61 VanDerWaalsContact O-N 3.08Å; M58-K61 WeakPolarHBondContact O-CB 3.47Å; M58-K61 PolarHBondContact O-N 3.06Å; A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.39Å; K61-N64 WeakPolarHBondContact O-CB 3.37Å; K61-N64 PolarHBondContact O-N 2.96Å; K61-H65 PolarHBondContact O-N 2.95Å
62W92.5Very high88.7Confident12 Ų1225.8 Ų25.85%0.04513%0.126CC..Hα-helixtrans-64.2-43.6175.9-57.6-36.7000111.9L7 M58 A59 N64 H65 I66 Y180 S181 F182 L185L7-W62 VanDerWaalsContact CD2-CD1 3.47Å; M58-W62 HydrophobicContact CB-CH2 3.79Å; M58-W62 HydrophobicContact CB-CZ2 3.8Å; M58-W62 HydrophobicContact CB-CZ3 4.28Å; M58-W62 HydrophobicContact CE-CZ2 3.77Å; M58-W62 VanDerWaalsContact O-CD2 3.22Å; M58-W62 VanDerWaalsContact O-CG 3.29Å; M58-W62 PolarHBondContact O-N 3.17Å; A59-W62 HydrophobicContact CB-CE3 4.42Å; A59-W62 PolarHBondContact O-N 2.69Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.2Å; W62-H65 PolarHBondContact O-N 3.48Å; W62-I66 WeakPolarHBondContact O-CG1 3.45Å; W62-I66 PolarHBondContact O-N 3.41Å; W62-Y180 WeakPolarHBondContact CH2-O 3.17Å; W62-Y180 HydrophobicContact CZ3-CD1 4.16Å; W62-S181 VanDerWaalsContact CH2-C 3.45Å; W62-F182 HydrophobicContact CB-CD2 4.02Å; W62-F182 HydrophobicContact CB-CE2 4.46Å; W62-F182 AromaticContact CD1-CD2 3.64Å; W62-F182 HydrophobicContact CD2-CB 4.04Å; W62-F182 HydrophobicContact CD2-CD2 4.12Å; W62-F182 HydrophobicContact CE3-CB 4.41Å; W62-F182 HydrophobicContact CG-CB 4.47Å; W62-F182 AromaticContact CG-CD2 3.67Å; W62-F182 HydrophobicContact CG-CD2 3.67Å; W62-F182 HydrophobicContact CG-CE2 4.49Å; W62-F182 VanDerWaalsContact CH2-N 3.28Å; W62-F182 HydrophobicContact CZ2-CB 4.17Å; W62-F182 VanDerWaalsContact CZ3-N 3.35Å; W62-L185 HydrophobicContact CB-CD2 3.57Å; W62-L185 HydrophobicContact CE3-CD2 4.42Å
63C91.4Very high88.4Confident0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-55.5-42.2176-69.20000111.5A59 L60 H65 I66 G67 I68 V71A59-C63 WeakPolarHBondContact O-CB 3.41Å; A59-C63 PolarHBondContact O-N 3.02Å; A59-C63 PolarHBondContact O-SG 3.28Å; L60-C63 PolarHBondContact O-N 2.93Å; C63-H65 VanDerWaalsContact C-N 3.28Å; C63-H65 PolarHBondContact O-N 3.32Å; C63-I66 PolarHBondContact O-N 2.97Å; C63-G67 PolarHBondContact O-N 2.98Å; C63-I68 HydrophobicContact CB-CB 4Å; C63-I68 HydrophobicContact CB-CD1 3.99Å; C63-I68 HydrophobicContact CB-CG2 4.29Å; C63-I68 PolarHBondContact O-N 3.31Å; C63-V71 HydrophobicContact CB-CG2 3.97Å
64N85.6Confident88Confident64 Ų6425.6 Ų25.634%0.34212%0.124SC..Hα-helixtrans-52-52173.1-160.822000112L60 K61 W62 I66 G67 R112L60-N64 PolarHBondContact O-N 2.92Å; K61-N64 WeakPolarHBondContact O-CB 3.37Å; K61-N64 PolarHBondContact O-N 2.96Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.2Å; N64-I66 VanDerWaalsContact C-N 3.25Å; N64-I66 PolarHBondContact O-N 3.09Å; N64-G67 WeakPolarHBondContact O-CA 3.4Å; N64-G67 PolarHBondContact O-N 3.21Å; N64-R112 VanDerWaalsContact CA-NH1 3.28Å; N64-R112 VanDerWaalsContact CG-NE 3.28Å; N64-R112 PolarHBondContact ND2-NH2 2.98Å; N64-R112 WeakPolarHBondContact OD1-CD 3.41Å; N64-R112 PolarHBondContact OD1-NE 3.37Å; N64-R112 PolarHBondContact OD1-NH2 3.08Å
65H87.6Confident87Confident51 Ų5124.6 Ų24.624%0.23613%0.125CC..Hα-helixtrans-77.5-24-164.1-167.871.3000110.9L7 R12 S15 R19 K61 W62 C63L7-H65 HydrophobicContact CD1-CB 3.31Å; L7-H65 VanDerWaalsContact CD1-CD2 3.49Å; L7-H65 WeakPolarHBondContact CD1-CD2 3.44Å; L7-H65 WeakPolarHBondContact CD1-ND1 3.4Å; R12-H65 VanDerWaalsContact CA-NE2 3.32Å; R12-H65 WeakPolarHBondContact CA-NE2 3.24Å; R12-H65 WeakPolarHBondContact CG-NE2 3.49Å; S15-H65 VanDerWaalsContact CB-CD2 3.44Å; S15-H65 WeakPolarHBondContact CB-CD2 3.28Å; S15-H65 PolarHBondContact OG-CD2 3.4Å; R19-H65 PolarHBondContact NE-O 3.36Å; R19-H65 PolarHBondContact NH2-O 3.11Å; K61-H65 PolarHBondContact O-N 2.95Å; W62-H65 PolarHBondContact O-N 3.48Å; C63-H65 VanDerWaalsContact C-N 3.28Å; C63-H65 PolarHBondContact O-N 3.32Å
66I91.8Very high85.9Confident0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-80.2-20.8169.5-61.2164.7000111.2S15 L18 R19 I23 W62 C63 N64 I68 F182 L185 I189S15-I66 WeakPolarHBondContact OG-CG1 3.46Å; L18-I66 HydrophobicContact CB-CG2 4.34Å; L18-I66 HydrophobicContact CD1-CD1 3.91Å; L18-I66 HydrophobicContact CD1-CG1 4.21Å; L18-I66 HydrophobicContact CD1-CG2 4.18Å; R19-I66 VanDerWaalsContact CG-O 3.22Å; R19-I66 WeakPolarHBondContact CG-O 3.43Å; R19-I66 VanDerWaalsContact NE-C 3.27Å; R19-I66 PolarHBondContact NE-O 2.84Å; I23-I66 WeakPolarHBondContact CD1-O 3.29Å; I23-I66 HydrophobicContact CG2-CG2 4.33Å; W62-I66 WeakPolarHBondContact O-CG1 3.45Å; W62-I66 PolarHBondContact O-N 3.41Å; C63-I66 PolarHBondContact O-N 2.97Å; N64-I66 VanDerWaalsContact C-N 3.25Å; N64-I66 PolarHBondContact O-N 3.09Å; I66-I68 HydrophobicContact CB-CD1 4.15Å; I66-I68 HydrophobicContact CG2-CD1 4.12Å; I66-F182 HydrophobicContact CD1-CE2 4.14Å; I66-L185 HydrophobicContact CD1-CD2 3.78Å; I66-L185 HydrophobicContact CD1-CG 4.21Å; I66-I189 HydrophobicContact CD1-CD1 3.7Å; I66-I189 HydrophobicContact CG2-CD1 4.06Å
67G89.2Confident84.7Confident25 Ų2525 Ų2526%0.25813%0.126SC..THydrogen-bonded Turntrans97.618.3176.600000114.4C63 N64C63-G67 PolarHBondContact O-N 2.98Å; N64-G67 WeakPolarHBondContact O-CA 3.4Å; N64-G67 PolarHBondContact O-N 3.21Å
68I90.2Very high83.4Confident2 Ų227.2 Ų27.21%0.0114%0.136CC..  trans-72.3126.8172.8-65.7142.8000108.3P24 I27 C63 I66 E70 V71 I189P24-I68 HydrophobicContact CG-CG1 4.32Å; P24-I68 WeakPolarHBondContact O-CG1 3.22Å; I27-I68 HydrophobicContact CB-CG2 4.44Å; I27-I68 HydrophobicContact CD1-CD1 3.4Å; I27-I68 VanDerWaalsContact CD1-CD1 3.4Å; I27-I68 HydrophobicContact CD1-CG1 4.01Å; I27-I68 HydrophobicContact CD1-CG2 4.34Å; I27-I68 HydrophobicContact CG1-CD1 4.28Å; I27-I68 HydrophobicContact CG1-CG1 4.4Å; I27-I68 HydrophobicContact CG1-CG2 4.03Å; C63-I68 HydrophobicContact CB-CB 4Å; C63-I68 HydrophobicContact CB-CD1 3.99Å; C63-I68 HydrophobicContact CB-CG2 4.29Å; C63-I68 PolarHBondContact O-N 3.31Å; I66-I68 HydrophobicContact CB-CD1 4.15Å; I66-I68 HydrophobicContact CG2-CD1 4.12Å; I68-E70 WeakPolarHBondContact CG2-O 3.08Å; I68-V71 HydrophobicContact CG2-CG2 4.08Å; I68-I189 HydrophobicContact CD1-CD1 3.96Å
69R84.1Confident82.1Confident170 Ų17029.1 Ų29.164%0.64214%0.144SC*.  trans-88.4-34.1-169.5-65.7-175-71.9174.1-2.2112.7S25 R113S25-R69 PolarHBondContact O-N 3.2Å; S25-R69 PolarHBondContact OG-NH2 3.06Å; R69-R113 PolarHBondContact O-N 2.67Å
70E86.3Confident80.9Confident9 Ų930.6 Ų30.64%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-129.7135.5-172.7-165.9172.8173.700110S25 H26 I27 I68 R113 H115 S142 S143S25-E70 PolarHBondContact O-N 2.76Å; H26-E70 VanDerWaalsContact CA-O 3.3Å; H26-E70 WeakPolarHBondContact CA-O 3.47Å; H26-E70 HydrophobicContact CB-CB 3.91Å; H26-E70 HydrophobicContact CB-CG 4.39Å; H26-E70 PolarHBondContact CD2-O 3.04Å; H26-E70 IonicContact CE1-OE1 3.11Å; H26-E70 PolarHBondContact CE1-OE1 3.48Å; H26-E70 IonicContact ND1-OE1 3.75Å; H26-E70 IonicContact ND1-OE2 3.66Å; I27-E70 PolarHBondContact N-O 2.66Å; I68-E70 WeakPolarHBondContact CG2-O 3.08Å; E70-R113 WeakPolarHBondContact CA-O 3.19Å; E70-R113 HydrophobicContact CB-CB 4.41Å; E70-R113 HydrophobicContact CG-CB 3.98Å; E70-H115 IonicContact OE1-CD2 2.66Å; E70-H115 PolarHBondContact OE1-CD2 3.3Å; E70-H115 VanDerWaalsContact OE1-CD2 3.22Å; E70-H115 IonicContact OE1-CE1 3.82Å; E70-H115 IonicContact OE1-NE2 2.74Å; E70-H115 PolarHBondContact OE1-NE2 3.4Å; E70-S142 WeakPolarHBondContact OE1-CA 3.4Å; E70-S142 VanDerWaalsContact OE1-CB 3.29Å; E70-S142 WeakPolarHBondContact OE1-CB 3.34Å; E70-S142 PolarHBondContact OE1-OG 2.94Å; E70-S143 PolarHBondContact OE2-N 3.25Å; E70-S143 PolarHBondContact OE2-OG 2.95Å
71V87.6Confident80Confident4 Ų432.7 Ų32.72%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-131.5126.1173.7179.30000109.5I27 F29 L60 C63 I68 V73 R113 L114 H115I27-V71 CarbonylContact O-C 3.36Å; I27-V71 WeakPolarHBondContact O-CA 3.48Å; F29-V71 HydrophobicContact CD2-CG1 3.63Å; F29-V71 HydrophobicContact CE2-CG1 3.73Å; L60-V71 HydrophobicContact CD2-CB 3.62Å; L60-V71 HydrophobicContact CD2-CG1 3.61Å; L60-V71 HydrophobicContact CD2-CG2 3.85Å; C63-V71 HydrophobicContact CB-CG2 3.97Å; I68-V71 HydrophobicContact CG2-CG2 4.08Å; V71-V73 HydrophobicContact CG1-CG1 4.11Å; V71-R113 PolarHBondContact N-O 3.38Å; V71-L114 HydrophobicContact CB-CD1 4.38Å; V71-L114 HydrophobicContact CG1-CD1 4.45Å; V71-L114 WeakPolarHBondContact O-CA 3.2Å; V71-L114 WeakPolarHBondContact O-CD1 3.15Å; V71-H115 PolarHBondContact O-N 2.82Å
72T86.2Confident79.3Confident1 Ų138.9 Ų38.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-101.9139.8169-68.10000110.2H26 I27 A28 F29 H115 I117 F160 M161H26-T72 PolarHBondContact CE1-OG1 3.46Å; H26-T72 WeakPolarHBondContact NE2-CB 3.35Å; H26-T72 PolarHBondContact NE2-N 2.63Å; H26-T72 PolarHBondContact NE2-OG1 2.61Å; I27-T72 PolarHBondContact O-N 2.66Å; A28-T72 CarbonylContact C-O 3.51Å; A28-T72 VanDerWaalsContact CA-O 3.23Å; A28-T72 WeakPolarHBondContact CA-O 3.33Å; F29-T72 PolarHBondContact N-O 3.08Å; T72-H115 CarbonylContact C-O 3.26Å; T72-H115 VanDerWaalsContact CA-O 3.26Å; T72-H115 WeakPolarHBondContact CA-O 3.29Å; T72-H115 HydrophobicContact CG2-CB 4.4Å; T72-H115 WeakPolarHBondContact OG1-CB 3.25Å; T72-I117 HydrophobicContact CG2-CD1 3.5Å; T72-I117 HydrophobicContact CG2-CG1 3.97Å; T72-F160 HydrophobicContact CG2-CE2 4.49Å; T72-F160 HydrophobicContact CG2-CZ 4.02Å; T72-M161 HydrophobicContact CG2-SD 3.85Å
73V84.1Confident78.4Confident0 Ų040.3 Ų40.30%019%0.193CC..EExtended strand (participates in β ladder)trans-127.3136.4174.4-59.90000111.4F29 M31 L56 V71 A75 F99 L114 H115 I117F29-V73 HydrophobicContact CB-CG1 4.4Å; M31-V73 HydrophobicContact CE-CB 3.83Å; M31-V73 HydrophobicContact CE-CG1 4.48Å; M31-V73 HydrophobicContact CE-CG2 4.32Å; M31-V73 HydrophobicContact SD-CB 4.13Å; M31-V73 HydrophobicContact SD-CG1 4.15Å; L56-V73 HydrophobicContact CD1-CG1 3.54Å; L56-V73 HydrophobicContact CD2-CG1 4.37Å; L56-V73 HydrophobicContact CD2-CG2 4.39Å; V71-V73 HydrophobicContact CG1-CG1 4.11Å; V73-A75 PolarHBondContact O-N 3.39Å; V73-F99 HydrophobicContact CG2-CE1 3.67Å; V73-F99 HydrophobicContact CG2-CZ 3.63Å; V73-L114 HydrophobicContact CG1-CD1 4.36Å; V73-L114 HydrophobicContact CG2-CD1 4.47Å; V73-H115 PolarHBondContact N-O 3.06Å; V73-I117 PolarHBondContact O-N 3Å
74F78.3Confident77.9Confident27 Ų2743.7 Ų43.712%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-88.396.3171.5-155.3-141.3000109.9F29 I117 F160F29-F74 PolarHBondContact O-N 2.88Å; F74-I117 HydrophobicContact CD2-CB 4.11Å; F74-I117 HydrophobicContact CD2-CG2 3.92Å; F74-I117 HydrophobicContact CE2-CG2 3.94Å; F74-F160 HydrophobicContact CB-CD2 3.54Å; F74-F160 HydrophobicContact CB-CE2 3.43Å; F74-F160 VanDerWaalsContact CB-CE2 3.43Å; F74-F160 HydrophobicContact CB-CZ 4.42Å; F74-F160 HydrophobicContact CD1-CB 4.45Å; F74-F160 AromaticContact CD1-CD2 3.74Å; F74-F160 HydrophobicContact CD1-CD2 3.74Å; F74-F160 HydrophobicContact CD1-CE2 4.49Å; F74-F160 HydrophobicContact CD1-CG 4.47Å; F74-F160 AromaticContact CD2-CD2 3.29Å; F74-F160 HydrophobicContact CD2-CD2 3.29Å; F74-F160 AromaticContact CD2-CE2 3.55Å; F74-F160 HydrophobicContact CD2-CE2 3.55Å; F74-F160 HydrophobicContact CE1-CB 4.37Å; F74-F160 HydrophobicContact CE1-CD2 4.16Å; F74-F160 AromaticContact CE2-CD2 3.78Å; F74-F160 HydrophobicContact CE2-CD2 3.78Å; F74-F160 HydrophobicContact CE2-CE2 4.37Å; F74-F160 AromaticContact CG-CD2 3.26Å; F74-F160 HydrophobicContact CG-CD2 3.26Å; F74-F160 AromaticContact CG-CE2 3.61Å; F74-F160 HydrophobicContact CG-CE2 3.61Å; F74-F160 HydrophobicContact CG-CG 4.33Å; F74-F160 HydrophobicContact CZ-CD2 4.18Å
75A68.6Low77.6Confident31 Ų3149.1 Ų49.126%0.25624%0.24SC..EExtended strand (participates in β ladder)trans-83.5-34.6-175.700000112.4V73 F99 I117 F118V73-A75 PolarHBondContact O-N 3.39Å; A75-F99 HydrophobicContact CB-CE2 3.78Å; A75-F99 HydrophobicContact CB-CZ 3.99Å; A75-I117 PolarHBondContact N-O 2.72Å; A75-I117 VanDerWaalsContact N-O 3.11Å; A75-F118 HydrophobicContact CB-CD1 3.86Å; A75-F118 HydrophobicContact CB-CE1 3.43Å; A75-F118 VanDerWaalsContact CB-CE1 3.43Å; A75-F118 HydrophobicContact CB-CE2 4.24Å; A75-F118 HydrophobicContact CB-CG 4.43Å; A75-F118 HydrophobicContact CB-CZ 3.66Å
76F67.8Low77.1Confident7 Ų750.1 Ų50.13%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-153.4121.2-177-157.7-94.2000112.5N80 F81 V88 L91 M92 F118 C119F76-N80 HydrophobicContact CD1-CB 3.94Å; F76-N80 HydrophobicContact CD2-CB 4.06Å; F76-N80 HydrophobicContact CE1-CB 3.47Å; F76-N80 VanDerWaalsContact CE1-CB 3.47Å; F76-N80 HydrophobicContact CE2-CB 3.6Å; F76-N80 HydrophobicContact CG-CB 4.22Å; F76-N80 HydrophobicContact CZ-CB 3.27Å; F76-F81 HydrophobicContact CD1-CE2 4.14Å; F76-F81 HydrophobicContact CD1-CZ 4.11Å; F76-F81 HydrophobicContact CE1-CD1 4.23Å; F76-F81 HydrophobicContact CE1-CD2 4.17Å; F76-F81 AromaticContact CE1-CE1 3.93Å; F76-F81 HydrophobicContact CE1-CE1 3.93Å; F76-F81 AromaticContact CE1-CE2 3.87Å; F76-F81 HydrophobicContact CE1-CE2 3.87Å; F76-F81 HydrophobicContact CE1-CG 4.32Å; F76-F81 AromaticContact CE1-CZ 3.7Å; F76-F81 HydrophobicContact CE1-CZ 3.7Å; F76-V88 HydrophobicContact CE1-CG1 4.15Å; F76-V88 HydrophobicContact CE2-CG1 4.38Å; F76-V88 HydrophobicContact CZ-CB 4.24Å; F76-V88 HydrophobicContact CZ-CG1 3.61Å; F76-V88 HydrophobicContact CZ-CG2 3.94Å; F76-L91 HydrophobicContact CE2-CB 4.26Å; F76-L91 HydrophobicContact CE2-CD1 4.03Å; F76-M92 HydrophobicContact CB-CE 3.8Å; F76-M92 HydrophobicContact CD1-CE 3.2Å; F76-M92 HydrophobicContact CD2-CE 3.74Å; F76-M92 HydrophobicContact CE1-CE 3.55Å; F76-M92 HydrophobicContact CE2-CE 4.05Å; F76-M92 HydrophobicContact CG-CE 3.29Å; F76-M92 HydrophobicContact CG-SD 4.43Å; F76-M92 HydrophobicContact CZ-CE 3.96Å; F76-F118 HydrophobicContact CB-CD1 4.06Å; F76-C119 WeakPolarHBondContact O-CB 3.47Å; F76-C119 PolarHBondContact O-N 3.27Å; F76-C119 VanDerWaalsContact O-N 3.08Å; F76-C119 PolarHBondContact O-SG 3.39Å
77S64.5Low76.3Confident11 Ų1152.7 Ų52.78%0.07727%0.269CS..  trans-91159.4179.778.90000112.8E79 N80S77-E79 PolarHBondContact O-N 2.84Å; S77-E79 PolarHBondContact OG-N 3.21Å; S77-N80 PolarHBondContact N-OD1 2.79Å; S77-N80 VanDerWaalsContact N-OD1 3.08Å; S77-N80 VanDerWaalsContact O-CB 3.28Å; S77-N80 WeakPolarHBondContact O-CB 3.43Å; S77-N80 PolarHBondContact O-N 3.39Å; S77-N80 PolarHBondContact OG-N 2.86Å; S77-N80 PolarHBondContact OG-ND2 2.83Å; S77-N80 PolarHBondContact OG-OD1 2.99Å
78I59.4Low75.7Confident60 Ų6052.3 Ų52.331%0.30826%0.262SS..G310 helixtrans-54.6-39.9172-60.6178.7000110.9N80 F81 C119 V126 I128I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.1Å; I78-F81 WeakPolarHBondContact O-CB 3.37Å; I78-F81 WeakPolarHBondContact O-CD2 3.35Å; I78-F81 PolarHBondContact O-N 2.81Å; I78-C119 HydrophobicContact CG1-CB 3.98Å; I78-V126 HydrophobicContact CB-CG1 4.07Å; I78-V126 HydrophobicContact CD1-CG1 3.66Å; I78-V126 HydrophobicContact CG1-CG1 3.5Å; I78-V126 VanDerWaalsContact CG1-CG1 3.5Å; I78-V126 HydrophobicContact CG2-CB 4.43Å; I78-V126 HydrophobicContact CG2-CG1 3.64Å; I78-V126 HydrophobicContact CG2-CG2 4.18Å; I78-I128 HydrophobicContact CD1-CD1 4.28Å; I78-I128 HydrophobicContact CD1-CG1 3.95Å
79E62.9Low75.1Confident84 Ų8455.2 Ų55.239%0.39329%0.286SS..G310 helixtrans-61.1-22178.3-57.5-172.814100112.9S77 F81 K82S77-E79 PolarHBondContact O-N 2.84Å; S77-E79 PolarHBondContact OG-N 3.21Å; E79-F81 PolarHBondContact O-N 2.78Å; E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 PolarHBondContact O-N 2.85Å
80N67.4Low74.8Confident31 Ų3150 Ų5017%0.16627%0.273CS..G310 helixtrans-72.6-15.7176.2-59.1156000113.1F76 S77 I78 K82 R83F76-N80 HydrophobicContact CD1-CB 3.94Å; F76-N80 HydrophobicContact CD2-CB 4.06Å; F76-N80 HydrophobicContact CE1-CB 3.47Å; F76-N80 VanDerWaalsContact CE1-CB 3.47Å; F76-N80 HydrophobicContact CE2-CB 3.6Å; F76-N80 HydrophobicContact CG-CB 4.22Å; F76-N80 HydrophobicContact CZ-CB 3.27Å; S77-N80 PolarHBondContact N-OD1 2.79Å; S77-N80 VanDerWaalsContact N-OD1 3.08Å; S77-N80 VanDerWaalsContact O-CB 3.28Å; S77-N80 WeakPolarHBondContact O-CB 3.43Å; S77-N80 PolarHBondContact O-N 3.39Å; S77-N80 PolarHBondContact OG-N 2.86Å; S77-N80 PolarHBondContact OG-ND2 2.83Å; S77-N80 PolarHBondContact OG-OD1 2.99Å; I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.1Å; N80-K82 PolarHBondContact O-N 2.74Å; N80-R83 PolarHBondContact ND2-NH2 3.33Å; N80-R83 WeakPolarHBondContact O-CB 3.34Å; N80-R83 VanDerWaalsContact O-CG 3.32Å; N80-R83 WeakPolarHBondContact O-CG 3.45Å; N80-R83 PolarHBondContact O-N 3.01Å
81F68.5Low74.3Confident49 Ų4950.3 Ų50.322%0.21528%0.275CS..G310 helixtrans-70.5-9.1169.4-70.9-68.2000114.1F76 I78 E79 R83 V88 M92 C119 N121F76-F81 HydrophobicContact CD1-CE2 4.14Å; F76-F81 HydrophobicContact CD1-CZ 4.11Å; F76-F81 HydrophobicContact CE1-CD1 4.23Å; F76-F81 HydrophobicContact CE1-CD2 4.17Å; F76-F81 AromaticContact CE1-CE1 3.93Å; F76-F81 HydrophobicContact CE1-CE1 3.93Å; F76-F81 AromaticContact CE1-CE2 3.87Å; F76-F81 HydrophobicContact CE1-CE2 3.87Å; F76-F81 HydrophobicContact CE1-CG 4.32Å; F76-F81 AromaticContact CE1-CZ 3.7Å; F76-F81 HydrophobicContact CE1-CZ 3.7Å; I78-F81 WeakPolarHBondContact O-CB 3.37Å; I78-F81 WeakPolarHBondContact O-CD2 3.35Å; I78-F81 PolarHBondContact O-N 2.81Å; E79-F81 PolarHBondContact O-N 2.78Å; F81-R83 PolarHBondContact O-N 3.4Å; F81-V88 HydrophobicContact CD1-CG1 4.25Å; F81-V88 HydrophobicContact CE1-CG1 3.97Å; F81-M92 HydrophobicContact CZ-CE 4.43Å; F81-C119 HydrophobicContact CE2-CB 3.85Å; F81-C119 WeakPolarHBondContact CE2-O 3.37Å; F81-C119 WeakPolarHBondContact CZ-O 3.4Å; F81-N121 HydrophobicContact CD1-CB 3.65Å; F81-N121 HydrophobicContact CD2-CB 4.33Å; F81-N121 HydrophobicContact CE1-CB 3.44Å; F81-N121 VanDerWaalsContact CE1-CB 3.44Å; F81-N121 HydrophobicContact CE2-CB 4.16Å; F81-N121 HydrophobicContact CG-CB 4.12Å; F81-N121 HydrophobicContact CZ-CB 3.74Å
82K71Confident73.7Confident178 Ų17851.1 Ų51.177%0.77428%0.279SS*.G310 helixtrans-74-6170.3-61.3178.5-180173.80112.9E79 N80E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 PolarHBondContact O-N 2.85Å; N80-K82 PolarHBondContact O-N 2.74Å
83R74.7Confident73.4Confident42 Ų4254.4 Ų54.416%0.15830%0.301CS..SBendtrans-85.8168.1176.9-55.2-171.3-161.9175.910.5110.5N80 F81 E87 V88N80-R83 PolarHBondContact ND2-NH2 3.33Å; N80-R83 WeakPolarHBondContact O-CB 3.34Å; N80-R83 VanDerWaalsContact O-CG 3.32Å; N80-R83 WeakPolarHBondContact O-CG 3.45Å; N80-R83 PolarHBondContact O-N 3.01Å; F81-R83 PolarHBondContact O-N 3.4Å; R83-E87 VanDerWaalsContact CD-CD 3.49Å; R83-E87 WeakPolarHBondContact CD-OE1 3.37Å; R83-E87 IonicContact CZ-OE1 2.61Å; R83-E87 IonicContact NE-OE1 3.83Å; R83-E87 IonicContact NH1-OE1 3.95Å; R83-E87 PolarHBondContact NH1-OE1 2.8Å; R83-V88 HydrophobicContact CB-CG2 4.15Å
84S79.6Confident73Confident72 Ų7255.2 Ų55.250%0.50331%0.306SS..  trans-62.6142.1179.166.30000110.9A86 E87 V88S84-A86 PolarHBondContact O-N 3.21Å; S84-A86 VanDerWaalsContact O-N 3.15Å; S84-E87 WeakPolarHBondContact O-CB 3.37Å; S84-E87 PolarHBondContact O-N 3Å; S84-E87 WeakPolarHBondContact OG-CB 3.44Å; S84-E87 PolarHBondContact OG-N 2.94Å; S84-V88 WeakPolarHBondContact O-CG2 3.3Å; S84-V88 PolarHBondContact O-N 3.4Å
85E79.1Confident72.9Confident178 Ų17854.9 Ų54.983%0.83231%0.308SS*.Hα-helixtrans-54.4-37179.3-67.2-178.117600112.1V88 A89E85-V88 PolarHBondContact O-N 3.04Å; E85-A89 WeakPolarHBondContact O-CB 3.33Å; E85-A89 PolarHBondContact O-N 3.44Å
86A77.9Confident73.2Confident71 Ų7160.5 Ų60.559%0.58732%0.322SS*.Hα-helixtrans-61.8-44.2174.500000112.5S84 V90S84-A86 PolarHBondContact O-N 3.21Å; S84-A86 VanDerWaalsContact O-N 3.15Å; A86-V90 VanDerWaalsContact O-CG2 3.31Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 3.11Å; A86-V90 VanDerWaalsContact O-N 3.12Å
87E74.7Confident73.7Confident55 Ų5566 Ų6626%0.25734%0.343SS..Hα-helixtrans-63.9-44.9175.6-173.9-174.415900110.5R83 S84 A89 V90 L91R83-E87 VanDerWaalsContact CD-CD 3.49Å; R83-E87 WeakPolarHBondContact CD-OE1 3.37Å; R83-E87 IonicContact CZ-OE1 2.61Å; R83-E87 IonicContact NE-OE1 3.83Å; R83-E87 IonicContact NH1-OE1 3.95Å; R83-E87 PolarHBondContact NH1-OE1 2.8Å; S84-E87 WeakPolarHBondContact O-CB 3.37Å; S84-E87 PolarHBondContact O-N 3Å; S84-E87 WeakPolarHBondContact OG-CB 3.44Å; S84-E87 PolarHBondContact OG-N 2.94Å; E87-A89 PolarHBondContact O-N 3.14Å; E87-V90 PolarHBondContact O-N 2.55Å; E87-L91 HydrophobicContact CG-CD1 4Å; E87-L91 HydrophobicContact CG-CG 4.39Å; E87-L91 VanDerWaalsContact O-CG 3.28Å; E87-L91 WeakPolarHBondContact O-CG 3.39Å; E87-L91 PolarHBondContact O-N 2.84Å
88V76.3Confident74.4Confident17 Ų1766.9 Ų66.910%0.10335%0.345CS..Hα-helixtrans-60.8-45.3179.3176.20000111.2F76 F81 R83 S84 E85 V90 L91 M92F76-V88 HydrophobicContact CE1-CG1 4.15Å; F76-V88 HydrophobicContact CE2-CG1 4.38Å; F76-V88 HydrophobicContact CZ-CB 4.24Å; F76-V88 HydrophobicContact CZ-CG1 3.61Å; F76-V88 HydrophobicContact CZ-CG2 3.94Å; F81-V88 HydrophobicContact CD1-CG1 4.25Å; F81-V88 HydrophobicContact CE1-CG1 3.97Å; R83-V88 HydrophobicContact CB-CG2 4.15Å; S84-V88 WeakPolarHBondContact O-CG2 3.3Å; S84-V88 PolarHBondContact O-N 3.4Å; E85-V88 PolarHBondContact O-N 3.04Å; V88-V90 PolarHBondContact O-N 2.68Å; V88-L91 PolarHBondContact O-N 3Å; V88-M92 HydrophobicContact CG1-CG 4.32Å; V88-M92 WeakPolarHBondContact O-CB 3.39Å; V88-M92 WeakPolarHBondContact O-CG 3.45Å; V88-M92 PolarHBondContact O-N 3.07Å
89A78.4Confident75.1Confident62 Ų6264.3 Ų64.351%0.51233%0.332SS..Hα-helixtrans-61.5-42.9178.300000112.1E85 E87 M92 S93E85-A89 WeakPolarHBondContact O-CB 3.33Å; E85-A89 PolarHBondContact O-N 3.44Å; E87-A89 PolarHBondContact O-N 3.14Å; A89-M92 PolarHBondContact O-N 2.72Å; A89-S93 WeakPolarHBondContact O-CB 3.18Å; A89-S93 PolarHBondContact O-N 2.83Å
90V78Confident75.7Confident62 Ų6262.5 Ų62.538%0.37633%0.332SS..Hα-helixtrans-62.4-47.6175.6171.50000110.5E46 A86 E87 V88 M92 S93 I94E46-V90 HydrophobicContact CG-CG1 4.1Å; A86-V90 VanDerWaalsContact O-CG2 3.31Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 3.11Å; A86-V90 VanDerWaalsContact O-N 3.12Å; E87-V90 PolarHBondContact O-N 2.55Å; V88-V90 PolarHBondContact O-N 2.68Å; V90-M92 PolarHBondContact O-N 2.87Å; V90-S93 PolarHBondContact O-N 3.35Å; V90-S93 PolarHBondContact O-OG 3.16Å; V90-I94 HydrophobicContact CG1-CD1 3.81Å; V90-I94 HydrophobicContact CG1-CG1 4.49Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.34Å
91L76.1Confident76.2Confident14 Ų1465.3 Ų65.37%0.07335%0.347CS..Hα-helixtrans-61-44.4178.9-70.7173.3000112.4H49 F76 E87 V88 S93 I94 A95H49-L91 HydrophobicContact CB-CD2 4.13Å; H49-L91 WeakPolarHBondContact CD2-CD2 3.32Å; F76-L91 HydrophobicContact CE2-CB 4.26Å; F76-L91 HydrophobicContact CE2-CD1 4.03Å; E87-L91 HydrophobicContact CG-CD1 4Å; E87-L91 HydrophobicContact CG-CG 4.39Å; E87-L91 VanDerWaalsContact O-CG 3.28Å; E87-L91 WeakPolarHBondContact O-CG 3.39Å; E87-L91 PolarHBondContact O-N 2.84Å; V88-L91 PolarHBondContact O-N 3Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.54Å; L91-I94 PolarHBondContact O-N 3.35Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.2Å
92M75Confident76.4Confident22 Ų2263.2 Ų63.211%0.10834%0.338CS..Hα-helixtrans-63-40.3176.6-72.2-60.2179.300111.8F76 F81 V88 A89 V90 A95 R96 F118 C119F76-M92 HydrophobicContact CB-CE 3.8Å; F76-M92 HydrophobicContact CD1-CE 3.2Å; F76-M92 HydrophobicContact CD2-CE 3.74Å; F76-M92 HydrophobicContact CE1-CE 3.55Å; F76-M92 HydrophobicContact CE2-CE 4.05Å; F76-M92 HydrophobicContact CG-CE 3.29Å; F76-M92 HydrophobicContact CG-SD 4.43Å; F76-M92 HydrophobicContact CZ-CE 3.96Å; F81-M92 HydrophobicContact CZ-CE 4.43Å; V88-M92 HydrophobicContact CG1-CG 4.32Å; V88-M92 WeakPolarHBondContact O-CB 3.39Å; V88-M92 WeakPolarHBondContact O-CG 3.45Å; V88-M92 PolarHBondContact O-N 3.07Å; A89-M92 PolarHBondContact O-N 2.72Å; V90-M92 PolarHBondContact O-N 2.87Å; M92-A95 PolarHBondContact O-N 3.22Å; M92-R96 WeakPolarHBondContact O-CB 2.95Å; M92-R96 VanDerWaalsContact O-CG 3.32Å; M92-R96 WeakPolarHBondContact O-CG 3.31Å; M92-R96 PolarHBondContact O-N 2.85Å; M92-F118 HydrophobicContact CE-CD1 4.49Å; M92-F118 HydrophobicContact SD-CD1 3.97Å; M92-F118 HydrophobicContact SD-CE1 4.39Å; M92-C119 WeakPolarHBondContact CE-O 3.35Å
93S78.4Confident76.5Confident69 Ų6955.2 Ų55.248%0.48330%0.303SS..Hα-helixtrans-64.9-41.3177.277.70000112.2A89 V90 L91 R97A89-S93 WeakPolarHBondContact O-CB 3.18Å; A89-S93 PolarHBondContact O-N 2.83Å; V90-S93 PolarHBondContact O-N 3.35Å; V90-S93 PolarHBondContact O-OG 3.16Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.54Å; S93-R97 WeakPolarHBondContact O-CB 3.45Å; S93-R97 PolarHBondContact O-N 3.11Å
94I77.2Confident76.5Confident18 Ų1858.4 Ų58.49%0.09232%0.323CS..Hα-helixtrans-64.1-49.2175.6-67.8167.9000109.5E46 V90 L91 K98E46-I94 HydrophobicContact CB-CD1 4.4Å; V90-I94 HydrophobicContact CG1-CD1 3.81Å; V90-I94 HydrophobicContact CG1-CG1 4.49Å; V90-I94 WeakPolarHBondContact O-CG1 3.48Å; V90-I94 PolarHBondContact O-N 3.34Å; L91-I94 PolarHBondContact O-N 3.35Å; I94-K98 HydrophobicContact CG2-CG 4.14Å; I94-K98 VanDerWaalsContact O-CB 3.25Å; I94-K98 WeakPolarHBondContact O-CB 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.23Å; I94-K98 PolarHBondContact O-N 3.01Å
95A74.5Confident76.1Confident19 Ų1958.4 Ų58.416%0.15732%0.315CS..Hα-helixtrans-61.1-53.3-178.400000111.3L91 M92 R97 K98 F99 F118L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 3.2Å; M92-A95 PolarHBondContact O-N 3.22Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.26Å; A95-K98 PolarHBondContact O-N 2.91Å; A95-F99 HydrophobicContact CB-CD2 4.21Å; A95-F99 HydrophobicContact CB-CE2 4.33Å; A95-F99 WeakPolarHBondContact O-CB 3.3Å; A95-F99 WeakPolarHBondContact O-CD2 3Å; A95-F99 PolarHBondContact O-N 3.38Å; A95-F118 HydrophobicContact CB-CE1 3.57Å; A95-F118 HydrophobicContact CB-CZ 3.86Å
96R74.8Confident75.7Confident150 Ų15050.5 Ų50.557%0.56628%0.278SS*.Hα-helixtrans-54.8-47.7-179.5-75-179.6-179.5-170.2-0.1112.2M92 A100 E120M92-R96 WeakPolarHBondContact O-CB 2.95Å; M92-R96 VanDerWaalsContact O-CG 3.32Å; M92-R96 WeakPolarHBondContact O-CG 3.31Å; M92-R96 PolarHBondContact O-N 2.85Å; R96-A100 WeakPolarHBondContact O-CB 3.37Å; R96-A100 PolarHBondContact O-N 3.34Å; R96-E120 IonicContact CZ-OE1 3.93Å; R96-E120 IonicContact NH2-OE1 3.63Å; R96-E120 PolarHBondContact NH2-OE1 3.48Å; R96-E120 IonicContact NH2-OE2 3.35Å
97R80.3Confident75.2Confident123 Ų12353.8 Ų53.846%0.46428%0.275SS..Hα-helixtrans-60.1-52.6177.8176.4175.554.3111.6-2111.5E50 S93 A95 A100 D101E50-R97 IonicContact OE1-NH2 3.86Å; S93-R97 WeakPolarHBondContact O-CB 3.45Å; S93-R97 PolarHBondContact O-N 3.11Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.26Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.84Å; R97-D101 PolarHBondContact O-N 2.85Å; R97-D101 VanDerWaalsContact O-N 3.11Å
98K78Confident75.1Confident28 Ų2855.2 Ų55.212%0.12230%0.296CS..Hα-helixtrans-66.8-41.4-174.9-70.5-74-167.5170.10112F53 I94 A95 D101 L102F53-K98 HydrophobicContact CD1-CB 3.73Å; F53-K98 HydrophobicContact CD1-CD 3.68Å; F53-K98 HydrophobicContact CD1-CG 4.03Å; F53-K98 HydrophobicContact CD2-CB 3.46Å; F53-K98 VanDerWaalsContact CD2-CB 3.46Å; F53-K98 HydrophobicContact CD2-CG 4.23Å; F53-K98 HydrophobicContact CE1-CB 3.62Å; F53-K98 HydrophobicContact CE1-CD 4.01Å; F53-K98 HydrophobicContact CE1-CG 4.32Å; F53-K98 HydrophobicContact CE2-CB 3.36Å; F53-K98 HydrophobicContact CG-CB 3.65Å; F53-K98 HydrophobicContact CG-CD 4.09Å; F53-K98 HydrophobicContact CG-CG 3.98Å; F53-K98 HydrophobicContact CZ-CB 3.45Å; F53-K98 VanDerWaalsContact CZ-CB 3.45Å; F53-K98 WeakPolarHBondContact CZ-O 3.28Å; I94-K98 HydrophobicContact CG2-CG 4.14Å; I94-K98 VanDerWaalsContact O-CB 3.25Å; I94-K98 WeakPolarHBondContact O-CB 3.31Å; I94-K98 WeakPolarHBondContact O-CG 3.23Å; I94-K98 PolarHBondContact O-N 3.01Å; A95-K98 PolarHBondContact O-N 2.91Å; K98-D101 PolarHBondContact O-N 3.45Å; K98-L102 WeakPolarHBondContact O-CB 3.26Å; K98-L102 PolarHBondContact O-N 3.01Å
99F75.1Confident74.7Confident6 Ų659.1 Ų59.13%0.02632%0.317CS..Hα-helixtrans-64.2-38.1174.1-82.5-72.4000112.4F53 L56 V73 A75 A95 L102 I103 L114 S116 F118 L133F53-F99 HydrophobicContact CE2-CD1 4.38Å; F53-F99 HydrophobicContact CE2-CD2 4.36Å; F53-F99 HydrophobicContact CE2-CG 4.3Å; L56-F99 HydrophobicContact CD2-CE1 3.65Å; L56-F99 HydrophobicContact CD2-CZ 3.79Å; V73-F99 HydrophobicContact CG2-CE1 3.67Å; V73-F99 HydrophobicContact CG2-CZ 3.63Å; A75-F99 HydrophobicContact CB-CE2 3.78Å; A75-F99 HydrophobicContact CB-CZ 3.99Å; A95-F99 HydrophobicContact CB-CD2 4.21Å; A95-F99 HydrophobicContact CB-CE2 4.33Å; A95-F99 WeakPolarHBondContact O-CB 3.3Å; A95-F99 WeakPolarHBondContact O-CD2 3Å; A95-F99 PolarHBondContact O-N 3.38Å; F99-L102 HydrophobicContact CD1-CD2 4.3Å; F99-L102 PolarHBondContact O-N 3.31Å; F99-I103 WeakPolarHBondContact O-CB 3.46Å; F99-I103 WeakPolarHBondContact O-CD1 3.49Å; F99-I103 WeakPolarHBondContact O-CG1 3.44Å; F99-I103 PolarHBondContact O-N 2.81Å; F99-L114 HydrophobicContact CD1-CD2 4.31Å; F99-L114 HydrophobicContact CE1-CD2 4.44Å; F99-S116 WeakPolarHBondContact CE1-OG 3.44Å; F99-S116 WeakPolarHBondContact CZ-OG 3.45Å; F99-F118 HydrophobicContact CD2-CE2 4.09Å; F99-F118 AromaticContact CD2-CZ 3.46Å; F99-F118 HydrophobicContact CD2-CZ 3.46Å; F99-F118 VanDerWaalsContact CD2-CZ 3.46Å; F99-F118 HydrophobicContact CE2-CE1 4.29Å; F99-F118 HydrophobicContact CE2-CE2 4.16Å; F99-F118 AromaticContact CE2-CZ 3.47Å; F99-F118 HydrophobicContact CE2-CZ 3.47Å; F99-F118 VanDerWaalsContact CE2-CZ 3.47Å; F99-F118 HydrophobicContact CG-CZ 4.43Å; F99-F118 HydrophobicContact CZ-CZ 4.44Å; F99-L133 HydrophobicContact CB-CD1 4.25Å
100A75.5Confident73.8Confident47 Ų4757.6 Ų57.639%0.38831%0.307SS..Hα-helixtrans-59.6-47174.300000111.5R96 R97 L102 I103 L104R96-A100 WeakPolarHBondContact O-CB 3.37Å; R96-A100 PolarHBondContact O-N 3.34Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.84Å; A100-L102 PolarHBondContact O-N 2.72Å; A100-I103 PolarHBondContact O-N 3.26Å; A100-L104 WeakPolarHBondContact O-CG 3.29Å; A100-L104 PolarHBondContact O-N 3.37Å; A100-L104 VanDerWaalsContact O-N 3.13Å
101D76.7Confident72.6Confident90 Ų9060 Ų6048%0.48132%0.324SS..Hα-helixtrans-59.3-47177-64.4-22.6000111.8R97 K98 I103 L104 E105R97-D101 PolarHBondContact O-N 2.85Å; R97-D101 VanDerWaalsContact O-N 3.11Å; K98-D101 PolarHBondContact O-N 3.45Å; D101-I103 PolarHBondContact O-N 3.04Å; D101-L104 PolarHBondContact O-N 2.81Å; D101-E105 PolarHBondContact O-N 2.85Å; D101-E105 VanDerWaalsContact O-N 3.09Å
102L74Confident72Confident5 Ų560.9 Ų60.93%0.02633%0.326CS..Hα-helixtrans-65.4-38.8-178.9173.367.1000112.5F53 L56 A57 L60 K98 F99 A100 E105 L106 L114F53-L102 HydrophobicContact CE1-CB 4.33Å; F53-L102 HydrophobicContact CE2-CD2 4.24Å; F53-L102 HydrophobicContact CZ-CB 3.71Å; F53-L102 HydrophobicContact CZ-CD2 3.74Å; F53-L102 HydrophobicContact CZ-CG 4.33Å; L56-L102 HydrophobicContact CD2-CD2 4.2Å; L56-L102 HydrophobicContact CG-CD2 4.35Å; A57-L102 HydrophobicContact CB-CD1 4.42Å; L60-L102 HydrophobicContact CD1-CD1 3.91Å; L60-L102 HydrophobicContact CD1-CD2 3.47Å; L60-L102 VanDerWaalsContact CD1-CD2 3.47Å; L60-L102 HydrophobicContact CD1-CG 4.06Å; K98-L102 WeakPolarHBondContact O-CB 3.26Å; K98-L102 PolarHBondContact O-N 3.01Å; F99-L102 HydrophobicContact CD1-CD2 4.3Å; F99-L102 PolarHBondContact O-N 3.31Å; A100-L102 PolarHBondContact O-N 2.72Å; L102-E105 WeakPolarHBondContact O-CB 3.42Å; L102-E105 PolarHBondContact O-N 2.92Å; L102-L106 HydrophobicContact CD1-CG 4.39Å; L102-L106 HydrophobicContact CG-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CG 3.15Å; L102-L106 PolarHBondContact O-N 2.98Å; L102-L114 HydrophobicContact CD2-CD2 3.72Å; L102-L114 HydrophobicContact CG-CD2 4.23Å
103I72.1Confident71.7Confident10 Ų1063.7 Ų63.75%0.05134%0.336CS..Hα-helixtrans-68.7-39.2178.9-68.2166.4000111.1F99 A100 D101 E105 L106 R107 L114 L133 I136F99-I103 WeakPolarHBondContact O-CB 3.46Å; F99-I103 WeakPolarHBondContact O-CD1 3.49Å; F99-I103 WeakPolarHBondContact O-CG1 3.44Å; F99-I103 PolarHBondContact O-N 2.81Å; A100-I103 PolarHBondContact O-N 3.26Å; D101-I103 PolarHBondContact O-N 3.04Å; I103-E105 PolarHBondContact O-N 3.18Å; I103-L106 PolarHBondContact O-N 2.94Å; I103-R107 WeakPolarHBondContact O-CG 3.4Å; I103-R107 PolarHBondContact O-N 3.24Å; I103-L114 HydrophobicContact CG1-CD2 4.4Å; I103-L133 HydrophobicContact CD1-CB 4.34Å; I103-L133 HydrophobicContact CD1-CD1 3.77Å; I103-L133 HydrophobicContact CD1-CD2 3.83Å; I103-L133 HydrophobicContact CD1-CG 4.18Å; I103-I136 HydrophobicContact CB-CD1 4.27Å; I103-I136 HydrophobicContact CG2-CB 3.44Å; I103-I136 VanDerWaalsContact CG2-CB 3.44Å; I103-I136 HydrophobicContact CG2-CD1 3.06Å; I103-I136 HydrophobicContact CG2-CG1 3.54Å; I103-I136 HydrophobicContact CG2-CG2 3.7Å
104L74.5Confident71.2Confident109 Ų10961.2 Ų61.257%0.57132%0.317SS*.Hα-helixtrans-58.5-40.5172.2-70.7172.5000111.1A100 D101 A108A100-L104 WeakPolarHBondContact O-CG 3.29Å; A100-L104 PolarHBondContact O-N 3.37Å; A100-L104 VanDerWaalsContact O-N 3.13Å; D101-L104 PolarHBondContact O-N 2.81Å; L104-A108 PolarHBondContact O-N 3.39Å
105E71.3Confident70.7Confident72 Ų7261.5 Ų61.534%0.33632%0.318SS..Hα-helixtrans-68-40.6177.2-159.9-164.2111.500113A3 D101 L102 I103 A108 N109A3-E105 WeakPolarHBondContact CB-OE1 3.43Å; A3-E105 VanDerWaalsContact CB-OE2 3.23Å; A3-E105 WeakPolarHBondContact CB-OE2 3.5Å; D101-E105 PolarHBondContact O-N 2.85Å; D101-E105 VanDerWaalsContact O-N 3.09Å; L102-E105 WeakPolarHBondContact O-CB 3.42Å; L102-E105 PolarHBondContact O-N 2.92Å; I103-E105 PolarHBondContact O-N 3.18Å; E105-A108 PolarHBondContact O-N 3.4Å; E105-N109 PolarHBondContact O-ND2 2.83Å
106L69.9Low70.3Confident12 Ų1260.9 Ų60.96%0.06331%0.312CS..Hα-helixtrans-64.5-40.8177.2-73.7173.6000111.7L60 L102 I103 A108 N109 G110 L114L60-L106 HydrophobicContact CD1-CD1 4.46Å; L102-L106 HydrophobicContact CD1-CG 4.39Å; L102-L106 HydrophobicContact CG-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CG 3.15Å; L102-L106 PolarHBondContact O-N 2.98Å; I103-L106 PolarHBondContact O-N 2.94Å; L106-A108 VanDerWaalsContact C-N 3.25Å; L106-A108 PolarHBondContact O-N 3.2Å; L106-N109 PolarHBondContact O-N 3.34Å; L106-G110 PolarHBondContact O-N 3.25Å; L106-L114 HydrophobicContact CD1-CB 3.89Å; L106-L114 HydrophobicContact CD1-CD2 3.72Å; L106-L114 HydrophobicContact CD1-CG 4.43Å
107R69.3Low69.7Low140 Ų14055.3 Ų55.353%0.52829%0.293SS..Hα-helixtrans-55.6-40.4175.4-79.7-179.8155.2165.52.4112.7I103 N109 I136I103-R107 WeakPolarHBondContact O-CG 3.4Å; I103-R107 PolarHBondContact O-N 3.24Å; R107-N109 PolarHBondContact O-N 3.04Å; R107-I136 HydrophobicContact CG-CG2 3.36Å; R107-I136 VanDerWaalsContact NH1-CD1 3.32Å
108A71.9Confident68.9Low84 Ų8450.1 Ų50.169%0.69427%0.274SS*.Hα-helixtrans-68.2-21-179.500000113L104 E105 L106L104-A108 PolarHBondContact O-N 3.39Å; E105-A108 PolarHBondContact O-N 3.4Å; L106-A108 VanDerWaalsContact C-N 3.25Å; L106-A108 PolarHBondContact O-N 3.2Å
109N66.9Low67.8Low100 Ų10049 Ų4954%0.53527%0.269SS..THydrogen-bonded Turntrans-1119.4-170-70-59.6000114.5E105 L106 R107E105-N109 PolarHBondContact O-ND2 2.83Å; L106-N109 PolarHBondContact O-N 3.34Å; R107-N109 PolarHBondContact O-N 3.04Å
110G59.9Low66.6Low29 Ų2949.9 Ų49.930%0.29927%0.274SS..  trans115.417217300000115.2L106 R112L106-G110 PolarHBondContact O-N 3.25Å; G110-R112 PolarHBondContact O-N 3.21Å
111P54Low65.3Low113 Ų11350.6 Ų50.673%0.73427%0.271SS*.  trans-75.998.3-170.630.3-33.6000110.7L137P111-L137 HydrophobicContact CB-CD2 4.36Å
112R63.1Low63.9Low32 Ų3250 Ų5012%0.12127%0.267CS..  trans-128.9142.8170.4-75.2-166.9-79.1152.1-6.9112.7L60 N64 G110 L137L60-R112 PolarHBondContact O-NH1 2.86Å; N64-R112 VanDerWaalsContact CA-NH1 3.28Å; N64-R112 VanDerWaalsContact CG-NE 3.28Å; N64-R112 PolarHBondContact ND2-NH2 2.98Å; N64-R112 WeakPolarHBondContact OD1-CD 3.41Å; N64-R112 PolarHBondContact OD1-NE 3.37Å; N64-R112 PolarHBondContact OD1-NH2 3.08Å; G110-R112 PolarHBondContact O-N 3.21Å; R112-L137 WeakPolarHBondContact O-CD1 3.47Å
113R67.6Low62.3Low82 Ų8254 Ų5431%0.30930%0.301SS..EExtended strand (participates in β ladder)trans-95.2114.8-179.9-66.4-173.4-178.61694.1109.3R69 E70 V71 L137R69-R113 PolarHBondContact O-N 2.67Å; E70-R113 WeakPolarHBondContact CA-O 3.19Å; E70-R113 HydrophobicContact CB-CB 4.41Å; E70-R113 HydrophobicContact CG-CB 3.98Å; V71-R113 PolarHBondContact N-O 3.38Å; R113-L137 WeakPolarHBondContact CG-O 3.21Å; R113-L137 PolarHBondContact NE-O 2.87Å
114L67.8Low60.9Low17 Ų1761 Ų619%0.08934%0.338CS..EExtended strand (participates in β ladder)trans-108.2117.9169.2175.262.1000107.8L60 V71 V73 F99 L102 I103 L106L60-L114 HydrophobicContact CD1-CD1 4.12Å; L60-L114 HydrophobicContact CD1-CD2 3.98Å; L60-L114 HydrophobicContact CD2-CD1 3.8Å; V71-L114 HydrophobicContact CB-CD1 4.38Å; V71-L114 HydrophobicContact CG1-CD1 4.45Å; V71-L114 WeakPolarHBondContact O-CA 3.2Å; V71-L114 WeakPolarHBondContact O-CD1 3.15Å; V73-L114 HydrophobicContact CG1-CD1 4.36Å; V73-L114 HydrophobicContact CG2-CD1 4.47Å; F99-L114 HydrophobicContact CD1-CD2 4.31Å; F99-L114 HydrophobicContact CE1-CD2 4.44Å; L102-L114 HydrophobicContact CD2-CD2 3.72Å; L102-L114 HydrophobicContact CG-CD2 4.23Å; I103-L114 HydrophobicContact CG1-CD2 4.4Å; L106-L114 HydrophobicContact CD1-CB 3.89Å; L106-L114 HydrophobicContact CD1-CD2 3.72Å; L106-L114 HydrophobicContact CD1-CG 4.43Å
115H68.5Low59Low24 Ų2464.1 Ų64.111%0.11134%0.343CS..EExtended strand (participates in β ladder)trans-102.5124.4172.7-61.7-92.5000108E70 V71 T72 V73E70-H115 IonicContact OE1-CD2 2.66Å; E70-H115 PolarHBondContact OE1-CD2 3.3Å; E70-H115 VanDerWaalsContact OE1-CD2 3.22Å; E70-H115 IonicContact OE1-CE1 3.82Å; E70-H115 IonicContact OE1-NE2 2.74Å; E70-H115 PolarHBondContact OE1-NE2 3.4Å; V71-H115 PolarHBondContact O-N 2.82Å; T72-H115 CarbonylContact C-O 3.26Å; T72-H115 VanDerWaalsContact CA-O 3.26Å; T72-H115 WeakPolarHBondContact CA-O 3.29Å; T72-H115 HydrophobicContact CG2-CB 4.4Å; T72-H115 WeakPolarHBondContact OG1-CB 3.25Å; V73-H115 PolarHBondContact N-O 3.06Å
116S64.5Low57.5Low6 Ų663.9 Ų63.94%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-113.6127.8172.4-169.90000108.5F99 F118F99-S116 WeakPolarHBondContact CE1-OG 3.44Å; F99-S116 WeakPolarHBondContact CZ-OG 3.45Å; S116-F118 WeakPolarHBondContact OG-CE2 3.47Å
117I63.7Low55.7Low33 Ų3367.7 Ų67.717%0.16936%0.363CS..EExtended strand (participates in β ladder)trans-104117.3179.9-61.6176.2000108.3T72 V73 F74 A75 F160 M161T72-I117 HydrophobicContact CG2-CD1 3.5Å; T72-I117 HydrophobicContact CG2-CG1 3.97Å; V73-I117 PolarHBondContact O-N 3Å; F74-I117 HydrophobicContact CD2-CB 4.11Å; F74-I117 HydrophobicContact CD2-CG2 3.92Å; F74-I117 HydrophobicContact CE2-CG2 3.94Å; A75-I117 PolarHBondContact N-O 2.72Å; A75-I117 VanDerWaalsContact N-O 3.11Å; I117-F160 HydrophobicContact CD1-CE2 4.12Å; I117-M161 HydrophobicContact CD1-CE 4.13Å; I117-M161 HydrophobicContact CD1-CG 3.57Å; I117-M161 HydrophobicContact CD1-SD 3.22Å; I117-M161 WeakPolarHBondContact CD1-SD 3.46Å
118F61.8Low54.2Low14 Ų1466.4 Ų66.46%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-115.2125.1172.8-68.9-84.7000109.5A75 F76 M92 A95 F99 S116 S129A75-F118 HydrophobicContact CB-CD1 3.86Å; A75-F118 HydrophobicContact CB-CE1 3.43Å; A75-F118 VanDerWaalsContact CB-CE1 3.43Å; A75-F118 HydrophobicContact CB-CE2 4.24Å; A75-F118 HydrophobicContact CB-CG 4.43Å; A75-F118 HydrophobicContact CB-CZ 3.66Å; F76-F118 HydrophobicContact CB-CD1 4.06Å; M92-F118 HydrophobicContact CE-CD1 4.49Å; M92-F118 HydrophobicContact SD-CD1 3.97Å; M92-F118 HydrophobicContact SD-CE1 4.39Å; A95-F118 HydrophobicContact CB-CE1 3.57Å; A95-F118 HydrophobicContact CB-CZ 3.86Å; F99-F118 HydrophobicContact CD2-CE2 4.09Å; F99-F118 AromaticContact CD2-CZ 3.46Å; F99-F118 HydrophobicContact CD2-CZ 3.46Å; F99-F118 VanDerWaalsContact CD2-CZ 3.46Å; F99-F118 HydrophobicContact CE2-CE1 4.29Å; F99-F118 HydrophobicContact CE2-CE2 4.16Å; F99-F118 AromaticContact CE2-CZ 3.47Å; F99-F118 HydrophobicContact CE2-CZ 3.47Å; F99-F118 VanDerWaalsContact CE2-CZ 3.47Å; F99-F118 HydrophobicContact CG-CZ 4.43Å; F99-F118 HydrophobicContact CZ-CZ 4.44Å; S116-F118 WeakPolarHBondContact OG-CE2 3.47Å; F118-S129 VanDerWaalsContact O-O 3.1Å; F118-S129 PolarHBondContact O-OG 3.36Å; F118-S129 VanDerWaalsContact O-OG 3.08Å
119C56.6Low52.7Low3 Ų363.1 Ų63.12%0.0234%0.338CS..  trans-78.5127.1160.5-57.60000107.8F76 I78 F81 M92F76-C119 WeakPolarHBondContact O-CB 3.47Å; F76-C119 PolarHBondContact O-N 3.27Å; F76-C119 VanDerWaalsContact O-N 3.08Å; F76-C119 PolarHBondContact O-SG 3.39Å; I78-C119 HydrophobicContact CG1-CB 3.98Å; F81-C119 HydrophobicContact CE2-CB 3.85Å; F81-C119 WeakPolarHBondContact CE2-O 3.37Å; F81-C119 WeakPolarHBondContact CZ-O 3.4Å; M92-C119 WeakPolarHBondContact CE-O 3.35Å
120E50Low51.3Low26 Ų2665.6 Ų65.612%0.12135%0.346CS..EExtended strand (participates in β ladder)trans-114.2134.1173.3-67.8-161.7167.500109.9R96 I122 H127 Y131R96-E120 IonicContact CZ-OE1 3.93Å; R96-E120 IonicContact NH2-OE1 3.63Å; R96-E120 PolarHBondContact NH2-OE1 3.48Å; R96-E120 IonicContact NH2-OE2 3.35Å; E120-I122 HydrophobicContact CB-CD1 4.44Å; E120-I122 HydrophobicContact CB-CG1 4.23Å; E120-H127 PolarHBondContact N-O 3.49Å; E120-H127 PolarHBondContact O-N 3.4Å; E120-Y131 VanDerWaalsContact CD-CD2 3.4Å; E120-Y131 HydrophobicContact CG-CD2 4.08Å; E120-Y131 WeakPolarHBondContact OE2-CD2 3.48Å; E120-Y131 WeakPolarHBondContact OE2-CE2 3.48Å
121N47.1Very low50.2Low62 Ų6270.1 Ų70.133%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-93.5103170.3-173.53.2000107.7F81 N124 R125F81-N121 HydrophobicContact CD1-CB 3.65Å; F81-N121 HydrophobicContact CD2-CB 4.33Å; F81-N121 HydrophobicContact CE1-CB 3.44Å; F81-N121 VanDerWaalsContact CE1-CB 3.44Å; F81-N121 HydrophobicContact CE2-CB 4.16Å; F81-N121 HydrophobicContact CG-CB 4.12Å; F81-N121 HydrophobicContact CZ-CB 3.74Å; N121-N124 VanDerWaalsContact OD1-C 3.31Å; N121-N124 VanDerWaalsContact OD1-CA 3.22Å; N121-N124 WeakPolarHBondContact OD1-CA 3.36Å; N121-N124 PolarHBondContact OD1-N 2.86Å; N121-R125 VanDerWaalsContact OD1-C 3.31Å; N121-R125 PolarHBondContact OD1-N 3.47Å; N121-R125 PolarHBondContact OD1-O 3.28Å
122I47.8Very low49.5Very low76 Ų7666.9 Ų66.939%0.3933%0.331SS..EExtended strand (participates in β ladder)trans-107.9122.3178.5-61.2175.1000107.3E120 N124 R125 Y131E120-I122 HydrophobicContact CB-CD1 4.44Å; E120-I122 HydrophobicContact CB-CG1 4.23Å; I122-N124 VanDerWaalsContact C-N 3.33Å; I122-N124 PolarHBondContact O-N 3.25Å; I122-R125 PolarHBondContact N-O 3.13Å; I122-R125 WeakPolarHBondContact O-CB 3.35Å; I122-R125 PolarHBondContact O-N 3.09Å; I122-R125 VanDerWaalsContact O-O 3.07Å; I122-Y131 HydrophobicContact CD1-CE2 4.04Å
123A39.9Very low48.4Very low91 Ų9168.3 Ų68.375%0.75234%0.341SS*.THydrogen-bonded Turntrans54.243.4177.300000114R125A123-R125 PolarHBondContact O-N 3.37Å; A123-R125 VanDerWaalsContact O-N 3.07Å
124N43.2Very low47.1Very low155 Ų15574.5 Ų74.583%0.82936%0.364SS*.THydrogen-bonded Turntrans59.616.6-177.7-115.66.3000114.6N121 I122N121-N124 VanDerWaalsContact OD1-C 3.31Å; N121-N124 VanDerWaalsContact OD1-CA 3.22Å; N121-N124 WeakPolarHBondContact OD1-CA 3.36Å; N121-N124 PolarHBondContact OD1-N 2.86Å; I122-N124 VanDerWaalsContact C-N 3.33Å; I122-N124 PolarHBondContact O-N 3.25Å
125R33.9Very low45.5Very low176 Ų17676.3 Ų76.366%0.66438%0.379SS*.EExtended strand (participates in β ladder)trans-108.3117.8166.3-65.8-175.5-179.8-169.4-0.1107N121 I122 A123 H127N121-R125 VanDerWaalsContact OD1-C 3.31Å; N121-R125 PolarHBondContact OD1-N 3.47Å; N121-R125 PolarHBondContact OD1-O 3.28Å; I122-R125 PolarHBondContact N-O 3.13Å; I122-R125 WeakPolarHBondContact O-CB 3.35Å; I122-R125 PolarHBondContact O-N 3.09Å; I122-R125 VanDerWaalsContact O-O 3.07Å; A123-R125 PolarHBondContact O-N 3.37Å; A123-R125 VanDerWaalsContact O-N 3.07Å; R125-H127 VanDerWaalsContact C-N 3.34Å; R125-H127 PolarHBondContact O-N 3.03Å
126V39.8Very low44.3Very low66 Ų6676.9 Ų76.940%0.438%0.382SS..EExtended strand (participates in β ladder)trans-67.2102.2166.4-179.90000106.7I78I78-V126 HydrophobicContact CB-CG1 4.07Å; I78-V126 HydrophobicContact CD1-CG1 3.66Å; I78-V126 HydrophobicContact CG1-CG1 3.5Å; I78-V126 VanDerWaalsContact CG1-CG1 3.5Å; I78-V126 HydrophobicContact CG2-CB 4.43Å; I78-V126 HydrophobicContact CG2-CG1 3.64Å; I78-V126 HydrophobicContact CG2-CG2 4.18Å
127H32Very low43Very low93 Ų9379.2 Ų79.243%0.43139%0.394SS..EExtended strand (participates in β ladder)trans-90.2125.3164.9-79.5-91.3000105.8E120 R125 S129E120-H127 PolarHBondContact N-O 3.49Å; E120-H127 PolarHBondContact O-N 3.4Å; R125-H127 VanDerWaalsContact C-N 3.34Å; R125-H127 PolarHBondContact O-N 3.03Å; H127-S129 PolarHBondContact O-N 3.2Å
128I39.3Very low41.8Very low112 Ų11283.6 Ų83.657%0.57442%0.418SS*.  trans-66.781.3147.8-57.1176.2000103.2I78 E130I78-I128 HydrophobicContact CD1-CD1 4.28Å; I78-I128 HydrophobicContact CD1-CG1 3.95Å; I128-E130 PolarHBondContact O-N 3.09Å
129S39.6Very low40.6Very low16 Ų1689.6 Ų89.611%0.11246%0.461CS..  trans-61.3118168.251.40000104.4F118 H127 Y131F118-S129 VanDerWaalsContact O-O 3.1Å; F118-S129 PolarHBondContact O-OG 3.36Å; F118-S129 VanDerWaalsContact O-OG 3.08Å; H127-S129 PolarHBondContact O-N 3.2Å; S129-Y131 PolarHBondContact O-N 3.28Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.41Å
130E37.2Very low40.1Very low152 Ų15291.3 Ų91.371%0.7148%0.479SS*.  trans-60.254.2141.4-112.2-168.5161.600108.8I128 L132I128-E130 PolarHBondContact O-N 3.09Å; E130-L132 HydrophobicContact CG-CD1 4.08Å; E130-L132 PolarHBondContact O-N 2.95Å
131Y36.1Very low40.5Very low124 Ų12497.8 Ų97.849%0.48652%0.515SS..  trans-70.462.8140.7-79.4-67.6000105.7E120 I122 S129 L133E120-Y131 VanDerWaalsContact CD-CD2 3.4Å; E120-Y131 HydrophobicContact CG-CD2 4.08Å; E120-Y131 WeakPolarHBondContact OE2-CD2 3.48Å; E120-Y131 WeakPolarHBondContact OE2-CE2 3.48Å; I122-Y131 HydrophobicContact CD1-CE2 4.04Å; S129-Y131 PolarHBondContact O-N 3.28Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.41Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.46Å; Y131-L133 VanDerWaalsContact O-N 3.09Å
132L39.7Very low41.4Very low45 Ų4597.1 Ų97.124%0.23652%0.515CS..  -40.8117.9129-116125.8000103E130 R134E130-L132 HydrophobicContact CG-CD1 4.08Å; E130-L132 PolarHBondContact O-N 2.95Å; L132-R134 HydrophobicContact CB-CB 3.86Å; L132-R134 HydrophobicContact CB-CG 4.12Å; L132-R134 HydrophobicContact CD2-CB 4.27Å; L132-R134 HydrophobicContact CD2-CG 4.03Å; L132-R134 PolarHBondContact O-N 3.32Å
133L41.4Very low42.8Very low62 Ų6295.9 Ų95.933%0.32551%0.513SS..  trans-4985.4131.8-100.2144.6000104.6F99 I103 Y131 S135F99-L133 HydrophobicContact CB-CD1 4.25Å; I103-L133 HydrophobicContact CD1-CB 4.34Å; I103-L133 HydrophobicContact CD1-CD1 3.77Å; I103-L133 HydrophobicContact CD1-CD2 3.83Å; I103-L133 HydrophobicContact CD1-CG 4.18Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.46Å; Y131-L133 VanDerWaalsContact O-N 3.09Å; L133-S135 CarbonylContact C-O 3.46Å; L133-S135 WeakPolarHBondContact CB-O 3.08Å; L133-S135 CarbonylContact O-C 3.46Å; L133-S135 PolarHBondContact O-N 2.92Å; L133-S135 VanDerWaalsContact O-O 3.04Å
134R39.7Very low44.7Very low212 Ų21295.6 Ų95.680%0.850%0.499SS*.  trans-75.735.9-179.8-146.2169.5-166.4-146.73109.2L132L132-R134 HydrophobicContact CB-CB 3.86Å; L132-R134 HydrophobicContact CB-CG 4.12Å; L132-R134 HydrophobicContact CD2-CB 4.27Å; L132-R134 HydrophobicContact CD2-CG 4.03Å; L132-R134 PolarHBondContact O-N 3.32Å
135S34Very low46.8Very low55 Ų5588.4 Ų88.439%0.38546%0.461SS..  trans-159.6105.7-170.950.7000099.5L133L133-S135 CarbonylContact C-O 3.46Å; L133-S135 WeakPolarHBondContact CB-O 3.08Å; L133-S135 CarbonylContact O-C 3.46Å; L133-S135 PolarHBondContact O-N 2.92Å; L133-S135 VanDerWaalsContact O-O 3.04Å
136I42.4Very low49.6Very low35 Ų3582.7 Ų82.718%0.17944%0.443CS..SBend-167.1115.562.9-78.5-177.8000106.8I103 R107I103-I136 HydrophobicContact CB-CD1 4.27Å; I103-I136 HydrophobicContact CG2-CB 3.44Å; I103-I136 VanDerWaalsContact CG2-CB 3.44Å; I103-I136 HydrophobicContact CG2-CD1 3.06Å; I103-I136 HydrophobicContact CG2-CG1 3.54Å; I103-I136 HydrophobicContact CG2-CG2 3.7Å; R107-I136 HydrophobicContact CG-CG2 3.36Å; R107-I136 VanDerWaalsContact NH1-CD1 3.32Å
137L37.2Very low52.1Low56 Ų5679.6 Ų79.629%0.29342%0.424SS..SBendtrans114.183.8170.5-61.1152000114.7P111 R112 R113P111-L137 HydrophobicContact CB-CD2 4.36Å; R112-L137 WeakPolarHBondContact O-CD1 3.47Å; R113-L137 WeakPolarHBondContact CG-O 3.21Å; R113-L137 PolarHBondContact NE-O 2.87Å
138D38.8Very low55Low125 Ų12575.2 Ų75.267%0.66840%0.404SS*.  trans70.4124167.1-59-21.9000118.3G140D138-G140 PolarHBondContact O-N 3.35Å
139S36.4Very low57.7Low139 Ų13969.9 Ų69.997%0.97238%0.377SS*.SBendtrans-66.843178.351.20000114.6
140G46Very low60.3Low39 Ų3969.5 Ų69.540%0.40237%0.373SS..PPolyproline II helixtrans-100.5152.2174.300000112D138 S142D138-G140 PolarHBondContact O-N 3.35Å; G140-S142 PolarHBondContact O-N 3.36Å
141D58.9Low63.1Low163 Ų16362.3 Ų62.387%0.87234%0.34SS*.PPolyproline II helixtrans-51.1128.5167.4-70.9-32.2000109.6
142S65.6Low65.8Low48 Ų4856.6 Ų56.634%0.33632%0.317SS..PPolyproline II helixtrans-62.6134.5171.7173.50000108.3E70 G140E70-S142 WeakPolarHBondContact OE1-CA 3.4Å; E70-S142 VanDerWaalsContact OE1-CB 3.29Å; E70-S142 WeakPolarHBondContact OE1-CB 3.34Å; E70-S142 PolarHBondContact OE1-OG 2.94Å; G140-S142 PolarHBondContact O-N 3.36Å
143S76.8Confident68.3Low50 Ų5055.8 Ų55.835%0.3532%0.32SS..PPolyproline II helixtrans-71152.7172.961.60000109.5H26 E70H26-S143 PolarHBondContact CE1-O 3.22Å; H26-S143 PolarHBondContact ND1-O 3.19Å; E70-S143 PolarHBondContact OE2-N 3.25Å; E70-S143 PolarHBondContact OE2-OG 2.95Å
144N81.2Confident70.6Confident85 Ų8555.3 Ų55.346%0.45532%0.317SS..PPolyproline II helixtrans-63.6143.5169.9-73.6-22.7000109.4D146 Q164N144-D146 PolarHBondContact O-N 3.36Å; N144-Q164 WeakPolarHBondContact CB-O 3.41Å; N144-Q164 WeakPolarHBondContact OD1-CB 3.43Å
145P87.5Confident72.8Confident4 Ų450.7 Ų50.73%0.02631%0.312CS..PPolyproline II helixtrans-56.7135.4174.4-23.333.4000111.2A28 V148 S168A28-P145 HydrophobicContact CB-CB 3.85Å; A28-P145 HydrophobicContact CB-CG 3.77Å; P145-V148 HydrophobicContact CB-CG2 4.19Å; P145-S168 VanDerWaalsContact O-CB 3.31Å; P145-S168 WeakPolarHBondContact O-CB 3.33Å; P145-S168 PolarHBondContact O-OG 3Å
146D91Very high75.3Confident56 Ų5654.4 Ų54.430%0.29932%0.317SS..SBendtrans-79.5-33.4170.6-56.7-63.7000110.4P24 S25 H26 N144 F169 F192P24-D146 HydrophobicContact CB-CB 3.66Å; S25-D146 WeakPolarHBondContact CA-OD2 3.3Å; S25-D146 WeakPolarHBondContact CB-OD2 3.33Å; S25-D146 PolarHBondContact N-OD2 3.3Å; H26-D146 PolarHBondContact N-OD2 2.98Å; H26-D146 PolarHBondContact O-N 3.49Å; N144-D146 PolarHBondContact O-N 3.36Å; D146-F169 PolarHBondContact O-N 3.34Å; D146-F192 HydrophobicContact CB-CE2 3.82Å; D146-F192 HydrophobicContact CB-CZ 4.1Å
147L93.5Very high76.9Confident0 Ų054.1 Ų54.10%032%0.316CS..EExtended strand (participates in β ladder)trans-135.7127.1-176164.163.4000109.9P24 H26 I27 A28 I149 F169 A188 I189 F192P24-L147 HydrophobicContact CB-CB 4.08Å; P24-L147 HydrophobicContact CG-CB 4.34Å; P24-L147 HydrophobicContact CG-CD2 4.13Å; H26-L147 PolarHBondContact O-N 3.47Å; I27-L147 CarbonylContact C-O 3.43Å; I27-L147 VanDerWaalsContact CA-O 3.31Å; I27-L147 WeakPolarHBondContact CA-O 3.22Å; I27-L147 HydrophobicContact CD1-CD2 3.92Å; I27-L147 HydrophobicContact CG1-CB 4.3Å; I27-L147 HydrophobicContact CG1-CD2 4.16Å; I27-L147 HydrophobicContact CG1-CG 4.43Å; I27-L147 HydrophobicContact CG2-CG 4.46Å; A28-L147 PolarHBondContact N-O 3.45Å; L147-I149 HydrophobicContact CD1-CG1 3.89Å; L147-I149 HydrophobicContact CD2-CD1 3.94Å; L147-I149 HydrophobicContact CD2-CG1 4.11Å; L147-I149 HydrophobicContact CG-CD1 4.2Å; L147-I149 HydrophobicContact CG-CG1 3.85Å; L147-F169 CarbonylContact C-O 3.57Å; L147-F169 WeakPolarHBondContact CA-O 3.42Å; L147-F169 HydrophobicContact CD1-CD1 3.72Å; L147-F169 HydrophobicContact CD1-CE1 4.45Å; L147-A188 HydrophobicContact CD2-CB 4.32Å; L147-I189 HydrophobicContact CD2-CG1 4.3Å; L147-F192 HydrophobicContact CB-CD2 4.17Å; L147-F192 HydrophobicContact CD2-CB 4.28Å
148V92.6Very high78.7Confident2 Ų252.4 Ų52.41%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-110.1120.6171.9-177.30000108.6A28 I30 P145 L157 F160 V165 F169 L170 Y171A28-V148 HydrophobicContact CB-CG1 4.42Å; A28-V148 HydrophobicContact CB-CG2 4.16Å; A28-V148 CarbonylContact O-C 3.49Å; A28-V148 WeakPolarHBondContact O-CA 3.41Å; I30-V148 HydrophobicContact CD1-CG1 4.16Å; I30-V148 HydrophobicContact CG1-CG1 4.33Å; P145-V148 HydrophobicContact CB-CG2 4.19Å; V148-L157 HydrophobicContact CG1-CD2 4.37Å; V148-F160 HydrophobicContact CG1-CD1 4.16Å; V148-F160 HydrophobicContact CG1-CE1 4.09Å; V148-V165 HydrophobicContact CG2-CB 3.96Å; V148-V165 HydrophobicContact CG2-CG1 3.59Å; V148-F169 PolarHBondContact N-O 3.03Å; V148-L170 HydrophobicContact CB-CD2 3.7Å; V148-L170 HydrophobicContact CG1-CD2 4.34Å; V148-L170 HydrophobicContact CG2-CD2 3.93Å; V148-Y171 PolarHBondContact O-N 3.33Å
149I95.3Very high80Confident0 Ų051.5 Ų51.50%030%0.304CS..EExtended strand (participates in β ladder)trans-106119.3178.6-60.6172.6000108.7I27 A28 F29 I30 L147 Y171 Y180 L185 A188I27-I149 HydrophobicContact CG2-CD1 3.91Å; I27-I149 HydrophobicContact CG2-CG1 4.29Å; A28-I149 PolarHBondContact O-N 3.42Å; F29-I149 WeakPolarHBondContact CA-O 3.41Å; F29-I149 HydrophobicContact CD1-CB 3.88Å; F29-I149 HydrophobicContact CD1-CD1 4.3Å; F29-I149 HydrophobicContact CD1-CG2 4.15Å; F29-I149 HydrophobicContact CE1-CB 4.06Å; F29-I149 HydrophobicContact CE1-CD1 3.6Å; F29-I149 HydrophobicContact CE1-CG1 4.37Å; F29-I149 HydrophobicContact CE1-CG2 4.27Å; F29-I149 HydrophobicContact CZ-CD1 4.1Å; I30-I149 PolarHBondContact N-O 3.01Å; L147-I149 HydrophobicContact CD1-CG1 3.89Å; L147-I149 HydrophobicContact CD2-CD1 3.94Å; L147-I149 HydrophobicContact CD2-CG1 4.11Å; L147-I149 HydrophobicContact CG-CD1 4.2Å; L147-I149 HydrophobicContact CG-CG1 3.85Å; I149-Y171 WeakPolarHBondContact CA-O 3.36Å; I149-Y171 HydrophobicContact CG2-CD1 4.35Å; I149-Y180 HydrophobicContact CG2-CE2 4.13Å; I149-L185 HydrophobicContact CD1-CD1 3.92Å; I149-A188 HydrophobicContact CD1-CB 3.53Å; I149-A188 HydrophobicContact CG1-CB 3.94Å
150R95.1Very high81.4Confident8 Ų844.9 Ų44.93%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-110.8125.6170.3179.3166.7180145.60110.2I30 E154 R156 S158 Y171 F172 D173I30-R150 HydrophobicContact CB-CB 3.96Å; I30-R150 HydrophobicContact CB-CG 3.95Å; I30-R150 HydrophobicContact CD1-CB 4.23Å; I30-R150 HydrophobicContact CD1-CG 4.46Å; I30-R150 HydrophobicContact CG2-CB 4.5Å; I30-R150 HydrophobicContact CG2-CG 3.94Å; R150-E154 VanDerWaalsContact CD-O 3.28Å; R150-E154 WeakPolarHBondContact CD-O 3.49Å; R150-E154 VanDerWaalsContact NE-CB 3.28Å; R150-E154 PolarHBondContact NE-O 2.83Å; R150-E154 VanDerWaalsContact NH2-CB 3.32Å; R150-R156 WeakPolarHBondContact CD-O 3.32Å; R150-R156 PolarHBondContact NE-O 3.33Å; R150-R156 VanDerWaalsContact NH1-C 3.33Å; R150-R156 PolarHBondContact NH1-O 3.5Å; R150-S158 PolarHBondContact NH1-OG 2.78Å; R150-S158 PolarHBondContact NH2-OG 3.3Å; R150-Y171 PolarHBondContact N-O 2.79Å; R150-F172 HydrophobicContact CB-CD1 3.78Å; R150-F172 HydrophobicContact CB-CE1 4.08Å; R150-F172 HydrophobicContact CG-CD1 4.22Å; R150-F172 WeakPolarHBondContact O-CA 3.38Å; R150-D173 PolarHBondContact O-N 3.08Å
151T95.7Very high82.2Confident1 Ų144.6 Ų44.61%0.00625%0.246CC..  trans-88176.1173.9460000111.2I30 D32 D173 V175 W177 Y180I30-T151 PolarHBondContact O-N 3.15Å; I30-T151 PolarHBondContact O-OG1 3.35Å; D32-T151 PolarHBondContact N-OG1 3.18Å; D32-T151 VanDerWaalsContact N-OG1 3.08Å; D32-T151 PolarHBondContact O-OG1 2.94Å; T151-D173 CarbonylContact C-O 3.54Å; T151-D173 VanDerWaalsContact C-O 3.26Å; T151-D173 WeakPolarHBondContact CA-O 2.77Å; T151-V175 VanDerWaalsContact CB-O 3.3Å; T151-V175 WeakPolarHBondContact CB-O 3.33Å; T151-V175 HydrophobicContact CG2-CG1 3.83Å; T151-W177 HydrophobicContact CG2-CE3 3.81Å; T151-W177 HydrophobicContact CG2-CZ3 4.48Å; T151-Y180 HydrophobicContact CG2-CD2 3.47Å; T151-Y180 VanDerWaalsContact CG2-CD2 3.47Å; T151-Y180 HydrophobicContact CG2-CE2 3.75Å; T151-Y180 HydrophobicContact CG2-CG 4.49Å
152S93.7Very high82.5Confident3 Ų342.1 Ų42.12%0.02123%0.231CC..THydrogen-bonded Turntrans846169.2940000116.8D32 R36 E154 D173 V175D32-S152 WeakPolarHBondContact OD2-CB 3.44Å; D32-S152 PolarHBondContact OD2-OG 2.83Å; R36-S152 VanDerWaalsContact CZ-O 3.31Å; R36-S152 PolarHBondContact NH1-O 3.37Å; R36-S152 PolarHBondContact NH2-O 2.93Å; R36-S152 PolarHBondContact NH2-OG 3.29Å; S152-E154 PolarHBondContact O-N 2.95Å; S152-E154 VanDerWaalsContact OG-CG 3.23Å; S152-E154 WeakPolarHBondContact OG-CG 3.39Å; S152-D173 PolarHBondContact N-O 2.85Å; S152-V175 WeakPolarHBondContact CA-O 3.34Å; S152-V175 PolarHBondContact N-O 3.03Å
153G90.8Very high82.3Confident29 Ų2946.5 Ų46.530%0.29925%0.249SC..THydrogen-bonded Turntrans75.38.4179.500000114.5D173 D174G153-D173 PolarHBondContact N-O 2.93Å; G153-D174 VanDerWaalsContact CA-OD1 3.23Å; G153-D174 WeakPolarHBondContact CA-OD1 3.03Å
154E89.5Confident81.8Confident52 Ų5247.8 Ų47.824%0.24325%0.25CC..  trans-85.3127.9177.7-64.2-74165.900110.3R36 R150 S152 R156 F172R36-E154 IonicContact NH2-OE1 3.68Å; R36-E154 PolarHBondContact NH2-OE1 3.3Å; R150-E154 VanDerWaalsContact CD-O 3.28Å; R150-E154 WeakPolarHBondContact CD-O 3.49Å; R150-E154 VanDerWaalsContact NE-CB 3.28Å; R150-E154 PolarHBondContact NE-O 2.83Å; R150-E154 VanDerWaalsContact NH2-CB 3.32Å; S152-E154 PolarHBondContact O-N 2.95Å; S152-E154 VanDerWaalsContact OG-CG 3.23Å; S152-E154 WeakPolarHBondContact OG-CG 3.39Å; E154-R156 IonicContact OE2-CZ 3.76Å; E154-R156 IonicContact OE2-NH1 3.89Å; E154-R156 PolarHBondContact OE2-NH1 3Å; E154-R156 IonicContact OE2-NH2 2.88Å; E154-R156 PolarHBondContact OE2-NH2 3Å; E154-R156 VanDerWaalsContact OE2-NH2 3.08Å; E154-F172 WeakPolarHBondContact O-CD1 3.38Å
155T87.3Confident81.4Confident114 Ų11444 Ų4470%0.69923%0.229SC*.  trans-98.915.5-17454.90000114.7
156R85.6Confident80.7Confident133 Ų13347.7 Ų47.750%0.50226%0.256SS..SBendtrans-105.1166.4176.261.1177.8176.8-77.8-11.1111.3R150 E154R150-R156 WeakPolarHBondContact CD-O 3.32Å; R150-R156 PolarHBondContact NE-O 3.33Å; R150-R156 VanDerWaalsContact NH1-C 3.33Å; R150-R156 PolarHBondContact NH1-O 3.5Å; E154-R156 IonicContact OE2-CZ 3.76Å; E154-R156 IonicContact OE2-NH1 3.89Å; E154-R156 PolarHBondContact OE2-NH1 3Å; E154-R156 IonicContact OE2-NH2 2.88Å; E154-R156 PolarHBondContact OE2-NH2 3Å; E154-R156 VanDerWaalsContact OE2-NH2 3.08Å
157L75.8Confident80.1Confident29 Ų2952.1 Ų52.115%0.15228%0.279CS..  trans-94.9-16.8173.4-69.8175000113.8I30 V148 D159 F160 M162 V165 L170I30-L157 HydrophobicContact CD1-CD2 3.94Å; V148-L157 HydrophobicContact CG1-CD2 4.37Å; L157-D159 PolarHBondContact O-N 3.36Å; L157-F160 WeakPolarHBondContact O-CB 3.42Å; L157-F160 PolarHBondContact O-N 3.1Å; L157-M162 HydrophobicContact CB-SD 4.07Å; L157-M162 HydrophobicContact CD1-SD 4.06Å; L157-V165 HydrophobicContact CD1-CG2 3.76Å; L157-L170 HydrophobicContact CD1-CD1 4.17Å; L157-L170 HydrophobicContact CD2-CD1 4.37Å; L157-L170 HydrophobicContact CD2-CD2 4.11Å; L157-L170 HydrophobicContact CG-CD1 4.49Å
158S74.8Confident79.7Confident20 Ų2052.8 Ų52.814%0.1428%0.284CS..THydrogen-bonded Turntrans5349.9178.4-65.90000113.5R150 F160R150-S158 PolarHBondContact NH1-OG 2.78Å; R150-S158 PolarHBondContact NH2-OG 3.3Å; S158-F160 PolarHBondContact O-N 3.13Å
159D67.1Low79.6Confident106 Ų10655.1 Ų55.157%0.56729%0.294SS*.THydrogen-bonded Turntrans60.817.7-177.8-58.8-29.1000115.5L157 M161L157-D159 PolarHBondContact O-N 3.36Å; D159-M161 PolarHBondContact O-N 3.46Å
160F66Low79.5Confident0 Ų058.1 Ų58.10%031%0.31CS..SBendtrans-72.5109.1176-175.5-107.7000111.8A28 I30 T72 F74 I117 V148 L157 S158 M162 V165A28-F160 HydrophobicContact CB-CE1 3.66Å; A28-F160 HydrophobicContact CB-CZ 3.79Å; I30-F160 HydrophobicContact CD1-CB 3.72Å; I30-F160 HydrophobicContact CD1-CD1 3.71Å; I30-F160 HydrophobicContact CD1-CG 3.77Å; I30-F160 HydrophobicContact CG1-CB 4.24Å; I30-F160 HydrophobicContact CG1-CD1 3.8Å; I30-F160 HydrophobicContact CG1-CD2 4.33Å; I30-F160 HydrophobicContact CG1-CE1 4.25Å; I30-F160 HydrophobicContact CG1-CG 3.83Å; T72-F160 HydrophobicContact CG2-CE2 4.49Å; T72-F160 HydrophobicContact CG2-CZ 4.02Å; F74-F160 HydrophobicContact CB-CD2 3.54Å; F74-F160 HydrophobicContact CB-CE2 3.43Å; F74-F160 VanDerWaalsContact CB-CE2 3.43Å; F74-F160 HydrophobicContact CB-CZ 4.42Å; F74-F160 HydrophobicContact CD1-CB 4.45Å; F74-F160 AromaticContact CD1-CD2 3.74Å; F74-F160 HydrophobicContact CD1-CD2 3.74Å; F74-F160 HydrophobicContact CD1-CE2 4.49Å; F74-F160 HydrophobicContact CD1-CG 4.47Å; F74-F160 AromaticContact CD2-CD2 3.29Å; F74-F160 HydrophobicContact CD2-CD2 3.29Å; F74-F160 AromaticContact CD2-CE2 3.55Å; F74-F160 HydrophobicContact CD2-CE2 3.55Å; F74-F160 HydrophobicContact CE1-CB 4.37Å; F74-F160 HydrophobicContact CE1-CD2 4.16Å; F74-F160 AromaticContact CE2-CD2 3.78Å; F74-F160 HydrophobicContact CE2-CD2 3.78Å; F74-F160 HydrophobicContact CE2-CE2 4.37Å; F74-F160 AromaticContact CG-CD2 3.26Å; F74-F160 HydrophobicContact CG-CD2 3.26Å; F74-F160 AromaticContact CG-CE2 3.61Å; F74-F160 HydrophobicContact CG-CE2 3.61Å; F74-F160 HydrophobicContact CG-CG 4.33Å; F74-F160 HydrophobicContact CZ-CD2 4.18Å; I117-F160 HydrophobicContact CD1-CE2 4.12Å; V148-F160 HydrophobicContact CG1-CD1 4.16Å; V148-F160 HydrophobicContact CG1-CE1 4.09Å; L157-F160 WeakPolarHBondContact O-CB 3.42Å; L157-F160 PolarHBondContact O-N 3.1Å; S158-F160 PolarHBondContact O-N 3.13Å; F160-M162 PolarHBondContact O-N 3.44Å; F160-V165 HydrophobicContact CD1-CG1 4.09Å; F160-V165 HydrophobicContact CE1-CG1 4.07Å
161M62.6Low79.5Confident33 Ų3359.5 Ų59.516%0.16332%0.315CS..SBendtrans43.940166.3-66.9-174.481.600115.1T72 I117 D159 I163 Q164 V165T72-M161 HydrophobicContact CG2-SD 3.85Å; I117-M161 HydrophobicContact CD1-CE 4.13Å; I117-M161 HydrophobicContact CD1-CG 3.57Å; I117-M161 HydrophobicContact CD1-SD 3.22Å; I117-M161 WeakPolarHBondContact CD1-SD 3.46Å; D159-M161 PolarHBondContact O-N 3.46Å; M161-I163 PolarHBondContact O-N 2.86Å; M161-Q164 HydrophobicContact CB-CB 4.27Å; M161-Q164 HydrophobicContact CE-CB 3.68Å; M161-Q164 HydrophobicContact CE-CG 3.7Å; M161-Q164 PolarHBondContact O-N 3.25Å; M161-Q164 PolarHBondContact O-OE1 2.97Å; M161-V165 HydrophobicContact CB-CG1 3.78Å; M161-V165 WeakPolarHBondContact O-CG1 3.48Å; M161-V165 VanDerWaalsContact O-CG2 3.24Å; M161-V165 WeakPolarHBondContact O-CG2 3.41Å; M161-V165 PolarHBondContact O-N 3.44Å
162M64.8Low79.5Confident111 Ų11162.9 Ų62.955%0.54733%0.33SS..THydrogen-bonded Turntrans-48.7-35-166.2-68.8-69.5-6700114.9L157 F160L157-M162 HydrophobicContact CB-SD 4.07Å; L157-M162 HydrophobicContact CD1-SD 4.06Å; F160-M162 PolarHBondContact O-N 3.44Å
163I61.3Low79.6Confident140 Ų14063.2 Ų63.272%0.71833%0.331SS*.THydrogen-bonded Turntrans-78-50.5179.2-63.1174.7000110.9M161 V165 S166M161-I163 PolarHBondContact O-N 2.86Å; I163-V165 PolarHBondContact O-N 3.18Å; I163-S166 VanDerWaalsContact O-CB 3.28Å; I163-S166 WeakPolarHBondContact O-CB 3.36Å; I163-S166 PolarHBondContact O-N 2.89Å; I163-S166 PolarHBondContact O-OG 3.05Å
164Q67.2Low79.9Confident78 Ų7868.2 Ų68.236%0.36435%0.351SS..THydrogen-bonded Turntrans-65-30.3-177.6-63.285.5-14.400112N144 M161 S166N144-Q164 WeakPolarHBondContact CB-O 3.41Å; N144-Q164 WeakPolarHBondContact OD1-CB 3.43Å; M161-Q164 HydrophobicContact CB-CB 4.27Å; M161-Q164 HydrophobicContact CE-CB 3.68Å; M161-Q164 HydrophobicContact CE-CG 3.7Å; M161-Q164 PolarHBondContact O-N 3.25Å; M161-Q164 PolarHBondContact O-OE1 2.97Å; Q164-S166 VanDerWaalsContact C-N 3.33Å
165V71.9Confident80.3Confident5 Ų567 Ų673%0.0335%0.347CS..THydrogen-bonded Turntrans-86.6-1.5180-560000114.2V148 L157 F160 M161 I163 N167 S168V148-V165 HydrophobicContact CG2-CB 3.96Å; V148-V165 HydrophobicContact CG2-CG1 3.59Å; L157-V165 HydrophobicContact CD1-CG2 3.76Å; F160-V165 HydrophobicContact CD1-CG1 4.09Å; F160-V165 HydrophobicContact CE1-CG1 4.07Å; M161-V165 HydrophobicContact CB-CG1 3.78Å; M161-V165 WeakPolarHBondContact O-CG1 3.48Å; M161-V165 VanDerWaalsContact O-CG2 3.24Å; M161-V165 WeakPolarHBondContact O-CG2 3.41Å; M161-V165 PolarHBondContact O-N 3.44Å; I163-V165 PolarHBondContact O-N 3.18Å; V165-N167 PolarHBondContact O-N 2.94Å; V165-S168 VanDerWaalsContact CA-OG 3.29Å; V165-S168 WeakPolarHBondContact CA-OG 3.4Å; V165-S168 WeakPolarHBondContact O-CB 3.47Å; V165-S168 PolarHBondContact O-N 3.14Å; V165-S168 PolarHBondContact O-OG 2.96Å
166S73.1Confident80.8Confident82 Ų8262.4 Ų62.457%0.57332%0.318SS*.THydrogen-bonded Turntrans-58.4-31.9-174.356.90000113.8I163 Q164I163-S166 VanDerWaalsContact O-CB 3.28Å; I163-S166 WeakPolarHBondContact O-CB 3.36Å; I163-S166 PolarHBondContact O-N 2.89Å; I163-S166 PolarHBondContact O-OG 3.05Å; Q164-S166 VanDerWaalsContact C-N 3.33Å
167N78.2Confident81.3Confident148 Ų14856.1 Ų56.179%0.79129%0.294SS*.THydrogen-bonded Turntrans-107.59.9178-64.9-33.7000113V165V165-N167 PolarHBondContact O-N 2.94Å
168S85.3Confident82.3Confident14 Ų1455.6 Ų55.610%0.09829%0.293CS..SBendtrans-82.5148.1178.6-530000111.4P145 V165 L170P145-S168 VanDerWaalsContact O-CB 3.31Å; P145-S168 WeakPolarHBondContact O-CB 3.33Å; P145-S168 PolarHBondContact O-OG 3Å; V165-S168 VanDerWaalsContact CA-OG 3.29Å; V165-S168 WeakPolarHBondContact CA-OG 3.4Å; V165-S168 WeakPolarHBondContact O-CB 3.47Å; V165-S168 PolarHBondContact O-N 3.14Å; V165-S168 PolarHBondContact O-OG 2.96Å; S168-L170 PolarHBondContact O-N 3.03Å
169F91.6Very high83.3Confident51 Ų5158.3 Ų58.322%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-71.6122.7164.7-176.2-103.9000109.8D146 L147 V148 Y171 A191 F192 N195D146-F169 PolarHBondContact O-N 3.34Å; L147-F169 CarbonylContact C-O 3.57Å; L147-F169 WeakPolarHBondContact CA-O 3.42Å; L147-F169 HydrophobicContact CD1-CD1 3.72Å; L147-F169 HydrophobicContact CD1-CE1 4.45Å; V148-F169 PolarHBondContact N-O 3.03Å; F169-Y171 HydrophobicContact CE1-CD2 4.2Å; F169-A191 HydrophobicContact CE1-CB 3.77Å; F169-A191 HydrophobicContact CZ-CB 3.98Å; F169-F192 HydrophobicContact CB-CD2 3.93Å; F169-F192 HydrophobicContact CD1-CB 4.04Å; F169-F192 HydrophobicContact CG-CD2 4.45Å; F169-N195 HydrophobicContact CD2-CB 3.76Å; F169-N195 HydrophobicContact CE2-CB 3.49Å; F169-N195 VanDerWaalsContact CE2-CB 3.49Å; F169-N195 VanDerWaalsContact CE2-ND2 3.29Å; F169-N195 WeakPolarHBondContact CE2-ND2 3.27Å; F169-N195 HydrophobicContact CZ-CB 4.29Å; F169-N195 WeakPolarHBondContact CZ-ND2 3.45Å
170L92.4Very high84.8Confident64 Ų6453.7 Ų53.734%0.33528%0.278SS..EExtended strand (participates in β ladder)trans-94.6123.9179.3-55.4-176000110.4V148 L157 S168 F172V148-L170 HydrophobicContact CB-CD2 3.7Å; V148-L170 HydrophobicContact CG1-CD2 4.34Å; V148-L170 HydrophobicContact CG2-CD2 3.93Å; L157-L170 HydrophobicContact CD1-CD1 4.17Å; L157-L170 HydrophobicContact CD2-CD1 4.37Å; L157-L170 HydrophobicContact CD2-CD2 4.11Å; L157-L170 HydrophobicContact CG-CD1 4.49Å; S168-L170 PolarHBondContact O-N 3.03Å; L170-F172 HydrophobicContact CB-CE2 3.99Å; L170-F172 HydrophobicContact CB-CZ 4.27Å; L170-F172 HydrophobicContact CD1-CZ 4.37Å
171Y95.2Very high86.2Confident36 Ų3655.6 Ų55.614%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-121.4117.5177.4-173.2-92.8000110.7V148 I149 R150 F169 D173 R187 A188 A191V148-Y171 PolarHBondContact O-N 3.33Å; I149-Y171 WeakPolarHBondContact CA-O 3.36Å; I149-Y171 HydrophobicContact CG2-CD1 4.35Å; R150-Y171 PolarHBondContact N-O 2.79Å; F169-Y171 HydrophobicContact CE1-CD2 4.2Å; Y171-D173 HydrophobicContact CD1-CB 4.41Å; Y171-D173 HydrophobicContact CE1-CB 3.9Å; Y171-R187 WeakPolarHBondContact OH-CB 3.46Å; Y171-A188 HydrophobicContact CD1-CB 3.48Å; Y171-A188 VanDerWaalsContact CD1-CB 3.48Å; Y171-A188 HydrophobicContact CD2-CB 4.3Å; Y171-A188 HydrophobicContact CE1-CB 3.67Å; Y171-A188 HydrophobicContact CE2-CB 4.46Å; Y171-A188 HydrophobicContact CG-CB 3.82Å; Y171-A191 HydrophobicContact CD2-CB 3.59Å; Y171-A191 HydrophobicContact CE2-CB 3.59Å
172F96.1Very high87.9Confident73 Ų7354.2 Ų54.232%0.3228%0.284SS..EExtended strand (participates in β ladder)trans-103.2126.4178-58.4-79000109.9R150 E154 L170R150-F172 HydrophobicContact CB-CD1 3.78Å; R150-F172 HydrophobicContact CB-CE1 4.08Å; R150-F172 HydrophobicContact CG-CD1 4.22Å; R150-F172 WeakPolarHBondContact O-CA 3.38Å; E154-F172 WeakPolarHBondContact O-CD1 3.38Å; L170-F172 HydrophobicContact CB-CE2 3.99Å; L170-F172 HydrophobicContact CB-CZ 4.27Å; L170-F172 HydrophobicContact CD1-CZ 4.37Å
173D96.2Very high89.4Confident10 Ų1055 Ų555%0.05328%0.281CS..  trans-121.9137.2179.7-157.6-33.8000110R150 T151 S152 G153 Y171 V175 N184 R187R150-D173 PolarHBondContact O-N 3.08Å; T151-D173 CarbonylContact C-O 3.54Å; T151-D173 VanDerWaalsContact C-O 3.26Å; T151-D173 WeakPolarHBondContact CA-O 2.77Å; S152-D173 PolarHBondContact N-O 2.85Å; G153-D173 PolarHBondContact N-O 2.93Å; Y171-D173 HydrophobicContact CD1-CB 4.41Å; Y171-D173 HydrophobicContact CE1-CB 3.9Å; D173-V175 HydrophobicContact CB-CG1 4.04Å; D173-V175 PolarHBondContact O-N 2.86Å; D173-V175 PolarHBondContact OD1-N 3.32Å; D173-N184 PolarHBondContact OD1-ND2 3.34Å; D173-N184 WeakPolarHBondContact OD2-CB 3.23Å; D173-N184 PolarHBondContact OD2-ND2 3.3Å; D173-R187 IonicContact OD1-NH1 2.82Å; D173-R187 IonicContact OD1-NH2 2.76Å; D173-R187 IonicContact OD2-CZ 2.66Å; D173-R187 IonicContact OD2-NH1 3.17Å; D173-R187 IonicContact OD2-NH2 3.45Å
174D96.6Very high91.2Very high134 Ų13448.6 Ų48.672%0.71725%0.249SC*.  trans-73.8-16.6-178.7-66.3-36.8000113.1G153G153-D174 VanDerWaalsContact CA-OD1 3.23Å; G153-D174 WeakPolarHBondContact CA-OD1 3.03Å
175V97.6Very high92.6Very high25 Ų2544.9 Ų44.915%0.15223%0.232CC..SBendtrans-58.9139.1179.571.30000111.5T151 S152 D173 E179 Y180 N184T151-V175 VanDerWaalsContact CB-O 3.3Å; T151-V175 WeakPolarHBondContact CB-O 3.33Å; T151-V175 HydrophobicContact CG2-CG1 3.83Å; S152-V175 WeakPolarHBondContact CA-O 3.34Å; S152-V175 PolarHBondContact N-O 3.03Å; D173-V175 HydrophobicContact CB-CG1 4.04Å; D173-V175 PolarHBondContact O-N 2.86Å; D173-V175 PolarHBondContact OD1-N 3.32Å; V175-E179 HydrophobicContact CG2-CB 3.83Å; V175-Y180 HydrophobicContact CG1-CD2 3.57Å; V175-Y180 HydrophobicContact CG1-CE2 4.1Å; V175-N184 WeakPolarHBondContact CG1-ND2 3.42Å
176L97.2Very high93.8Very high18 Ų1845.7 Ų45.79%0.09423%0.234CC..  trans-73.4139.5169.4-58.6-179.1000109.4R36 E179R36-L176 HydrophobicContact CB-CD1 4.15Å; R36-L176 HydrophobicContact CB-CD2 4.02Å; L176-E179 WeakPolarHBondContact O-CA 3.28Å; L176-E179 WeakPolarHBondContact O-CB 3.02Å; L176-E179 PolarHBondContact O-N 3.32Å
177W96.6Very high94.9Very high1 Ų147 Ų470%0.00423%0.227CC..G310 helixtrans-50.3-44.2-174.6176.1-111000115.5F29 M31 D32 G52 A55 L56 A59 T151 E179 Y180F29-W177 HydrophobicContact CB-CH2 4.46Å; F29-W177 AromaticContact CD1-CH2 3.98Å; F29-W177 HydrophobicContact CD1-CH2 3.98Å; F29-W177 AromaticContact CD1-CZ3 3.79Å; F29-W177 HydrophobicContact CD1-CZ3 3.79Å; F29-W177 HydrophobicContact CE1-CH2 4.44Å; F29-W177 HydrophobicContact CE1-CZ3 4.29Å; F29-W177 HydrophobicContact CG-CH2 4.21Å; F29-W177 HydrophobicContact CG-CZ3 4.38Å; M31-W177 HydrophobicContact CB-CB 4.45Å; M31-W177 HydrophobicContact CB-CD2 3.67Å; M31-W177 HydrophobicContact CB-CE3 4.33Å; M31-W177 HydrophobicContact CB-CG 3.69Å; M31-W177 HydrophobicContact CB-CZ2 4.3Å; M31-W177 HydrophobicContact CG-CD2 3.73Å; M31-W177 VanDerWaalsContact CG-CE2 3.42Å; M31-W177 HydrophobicContact CG-CE3 4.12Å; M31-W177 HydrophobicContact CG-CG 4.29Å; M31-W177 HydrophobicContact CG-CH2 3.95Å; M31-W177 HydrophobicContact CG-CZ2 3.52Å; M31-W177 HydrophobicContact CG-CZ3 4.23Å; M31-W177 HydrophobicContact SD-CD2 4.4Å; M31-W177 HydrophobicContact SD-CH2 4.12Å; M31-W177 HydrophobicContact SD-CZ2 3.3Å; M31-W177 WeakPolarHBondContact SD-CZ2 3.19Å; D32-W177 WeakPolarHBondContact O-CB 3.31Å; D32-W177 PolarHBondContact O-N 3.03Å; G52-W177 VanDerWaalsContact CA-CD1 3.45Å; G52-W177 PolarHBondContact O-NE1 3.41Å; A55-W177 HydrophobicContact CB-CD2 4.45Å; A55-W177 HydrophobicContact CB-CZ2 4.3Å; A55-W177 WeakPolarHBondContact CB-O 3.47Å; L56-W177 HydrophobicContact CB-CZ2 3.89Å; L56-W177 HydrophobicContact CD1-CZ2 4.36Å; A59-W177 HydrophobicContact CB-CH2 3.91Å; T151-W177 HydrophobicContact CG2-CE3 3.81Å; T151-W177 HydrophobicContact CG2-CZ3 4.48Å; W177-E179 PolarHBondContact O-N 3.03Å; W177-Y180 HydrophobicContact CE3-CD1 4.48Å; W177-Y180 HydrophobicContact CE3-CD2 4.16Å; W177-Y180 AromaticContact CE3-CG 3.93Å; W177-Y180 HydrophobicContact CE3-CG 3.93Å; W177-Y180 HydrophobicContact CH2-CD1 4.41Å; W177-Y180 AromaticContact CZ3-CD1 3.79Å; W177-Y180 HydrophobicContact CZ3-CD1 3.79Å; W177-Y180 HydrophobicContact CZ3-CD2 4.11Å; W177-Y180 HydrophobicContact CZ3-CE1 4.3Å; W177-Y180 AromaticContact CZ3-CG 3.7Å; W177-Y180 HydrophobicContact CZ3-CG 3.7Å; W177-Y180 WeakPolarHBondContact O-CB 3.47Å; W177-Y180 PolarHBondContact O-N 2.87Å
178P95.8Very high95.9Very high19 Ų1940 Ų4012%0.12319%0.189CC..G310 helixtrans-63.1-13.6177.4-27.338.9000115.3N34 Y37 F51N34-P178 WeakPolarHBondContact OD1-CD 3.23Å; N34-P178 WeakPolarHBondContact OD1-CG 2.93Å; Y37-P178 HydrophobicContact CD1-CB 3.61Å; Y37-P178 HydrophobicContact CD1-CG 3.8Å; Y37-P178 HydrophobicContact CD2-CB 3.83Å; Y37-P178 HydrophobicContact CD2-CG 4.31Å; Y37-P178 HydrophobicContact CE1-CB 3.87Å; Y37-P178 HydrophobicContact CE2-CB 4.09Å; Y37-P178 HydrophobicContact CG-CB 3.59Å; Y37-P178 HydrophobicContact CG-CG 3.68Å; F51-P178 HydrophobicContact CB-CB 3.84Å; F51-P178 HydrophobicContact CB-CG 4.41Å
179E97.1Very high96.4Very high76 Ų7639.3 Ų39.336%0.35519%0.185SC..G310 helixtrans-101.33.9176.3-62.1-179.8122.700113.1Y37 R40 V175 L176 W177 S181Y37-E179 HydrophobicContact CD2-CG 3.71Å; Y37-E179 HydrophobicContact CE2-CG 3.51Å; R40-E179 IonicContact CZ-OE1 3.52Å; R40-E179 IonicContact CZ-OE2 3.75Å; R40-E179 IonicContact NH1-OE1 2.63Å; R40-E179 PolarHBondContact NH1-OE1 2.86Å; R40-E179 IonicContact NH1-OE2 3.92Å; R40-E179 PolarHBondContact NH1-OE2 3.45Å; R40-E179 IonicContact NH2-OE1 3.75Å; R40-E179 PolarHBondContact NH2-OE1 3.33Å; R40-E179 IonicContact NH2-OE2 3.92Å; R40-E179 PolarHBondContact NH2-OE2 2.79Å; V175-E179 HydrophobicContact CG2-CB 3.83Å; L176-E179 WeakPolarHBondContact O-CA 3.28Å; L176-E179 WeakPolarHBondContact O-CB 3.02Å; L176-E179 PolarHBondContact O-N 3.32Å; W177-E179 PolarHBondContact O-N 3.03Å; E179-S181 PolarHBondContact O-N 3.3Å
180Y97.5Very high96.6Very high10 Ų1040.3 Ų40.34%0.03919%0.192CC..  trans-60126.3-177.1-160.4-100.9000110.7F29 W62 I149 T151 V175 W177 N184 L185F29-Y180 HydrophobicContact CE1-CE1 4Å; W62-Y180 WeakPolarHBondContact CH2-O 3.17Å; W62-Y180 HydrophobicContact CZ3-CD1 4.16Å; I149-Y180 HydrophobicContact CG2-CE2 4.13Å; T151-Y180 HydrophobicContact CG2-CD2 3.47Å; T151-Y180 VanDerWaalsContact CG2-CD2 3.47Å; T151-Y180 HydrophobicContact CG2-CE2 3.75Å; T151-Y180 HydrophobicContact CG2-CG 4.49Å; V175-Y180 HydrophobicContact CG1-CD2 3.57Å; V175-Y180 HydrophobicContact CG1-CE2 4.1Å; W177-Y180 HydrophobicContact CE3-CD1 4.48Å; W177-Y180 HydrophobicContact CE3-CD2 4.16Å; W177-Y180 AromaticContact CE3-CG 3.93Å; W177-Y180 HydrophobicContact CE3-CG 3.93Å; W177-Y180 HydrophobicContact CH2-CD1 4.41Å; W177-Y180 AromaticContact CZ3-CD1 3.79Å; W177-Y180 HydrophobicContact CZ3-CD1 3.79Å; W177-Y180 HydrophobicContact CZ3-CD2 4.11Å; W177-Y180 HydrophobicContact CZ3-CE1 4.3Å; W177-Y180 AromaticContact CZ3-CG 3.7Å; W177-Y180 HydrophobicContact CZ3-CG 3.7Å; W177-Y180 WeakPolarHBondContact O-CB 3.47Å; W177-Y180 PolarHBondContact O-N 2.87Å; Y180-N184 HydrophobicContact CD1-CB 4.39Å; Y180-N184 HydrophobicContact CD2-CB 3.68Å; Y180-N184 HydrophobicContact CE1-CB 4.07Å; Y180-N184 HydrophobicContact CE2-CB 3.29Å; Y180-N184 HydrophobicContact CG-CB 4.2Å; Y180-N184 VanDerWaalsContact CZ-CB 3.49Å; Y180-L185 HydrophobicContact CE1-CB 4.01Å; Y180-L185 WeakPolarHBondContact OH-CA 3.22Å; Y180-L185 PolarHBondContact OH-N 3.11Å
181S96.7Very high96.7Very high40 Ų4038.4 Ų38.428%0.2819%0.185SC..  trans-117.3167.6-175.476.60000111.8W62 E179 W183 N184 L185W62-S181 VanDerWaalsContact CH2-C 3.45Å; E179-S181 PolarHBondContact O-N 3.3Å; S181-W183 PolarHBondContact O-N 3.13Å; S181-W183 VanDerWaalsContact O-N 3.15Å; S181-W183 PolarHBondContact OG-N 3.47Å; S181-N184 WeakPolarHBondContact CB-OD1 3.39Å; S181-N184 PolarHBondContact N-OD1 2.74Å; S181-N184 WeakPolarHBondContact O-CB 3.37Å; S181-N184 PolarHBondContact O-N 2.78Å; S181-N184 PolarHBondContact OG-OD1 2.99Å; S181-L185 PolarHBondContact O-N 3.4Å
182F96.6Very high96.7Very high3 Ų337.3 Ų37.31%0.01318%0.181CC..Hα-helixtrans-53.5-35.1172-180-86.5000111.8W10 Q11 L14 S15 W62 I66 N184 L185 F186W10-F182 HydrophobicContact CE3-CD1 4.39Å; W10-F182 HydrophobicContact CE3-CE1 4.48Å; W10-F182 HydrophobicContact CH2-CB 4.09Å; W10-F182 AromaticContact CH2-CD1 3.74Å; W10-F182 HydrophobicContact CH2-CD1 3.74Å; W10-F182 HydrophobicContact CH2-CG 4.18Å; W10-F182 AromaticContact CZ3-CD1 3.37Å; W10-F182 HydrophobicContact CZ3-CD1 3.37Å; W10-F182 AromaticContact CZ3-CE1 3.81Å; W10-F182 HydrophobicContact CZ3-CE1 3.81Å; W10-F182 HydrophobicContact CZ3-CG 4.2Å; Q11-F182 HydrophobicContact CB-CD2 4.23Å; Q11-F182 HydrophobicContact CB-CE2 4.13Å; Q11-F182 HydrophobicContact CB-CZ 4.36Å; Q11-F182 HydrophobicContact CG-CB 4.21Å; Q11-F182 HydrophobicContact CG-CD1 4.08Å; Q11-F182 HydrophobicContact CG-CD2 3.85Å; Q11-F182 HydrophobicContact CG-CE1 4.43Å; Q11-F182 HydrophobicContact CG-CE2 4.22Å; Q11-F182 HydrophobicContact CG-CG 3.77Å; Q11-F182 HydrophobicContact CG-CZ 4.5Å; L14-F182 HydrophobicContact CB-CE1 3.87Å; L14-F182 HydrophobicContact CB-CZ 4.05Å; L14-F182 HydrophobicContact CD1-CE1 3.98Å; S15-F182 WeakPolarHBondContact OG-CE2 3.48Å; W62-F182 HydrophobicContact CB-CD2 4.02Å; W62-F182 HydrophobicContact CB-CE2 4.46Å; W62-F182 AromaticContact CD1-CD2 3.64Å; W62-F182 HydrophobicContact CD2-CB 4.04Å; W62-F182 HydrophobicContact CD2-CD2 4.12Å; W62-F182 HydrophobicContact CE3-CB 4.41Å; W62-F182 HydrophobicContact CG-CB 4.47Å; W62-F182 AromaticContact CG-CD2 3.67Å; W62-F182 HydrophobicContact CG-CD2 3.67Å; W62-F182 HydrophobicContact CG-CE2 4.49Å; W62-F182 VanDerWaalsContact CH2-N 3.28Å; W62-F182 HydrophobicContact CZ2-CB 4.17Å; W62-F182 VanDerWaalsContact CZ3-N 3.35Å; I66-F182 HydrophobicContact CD1-CE2 4.14Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-N184 PolarHBondContact O-N 3.38Å; F182-L185 PolarHBondContact O-N 3.44Å; F182-F186 HydrophobicContact CD1-CB 4.25Å; F182-F186 HydrophobicContact CE1-CB 4.02Å; F182-F186 AromaticContact CE1-CD2 4Å; F182-F186 HydrophobicContact CE1-CD2 4Å; F182-F186 HydrophobicContact CE1-CG 4.32Å; F182-F186 HydrophobicContact CZ-CD2 4.43Å; F182-F186 VanDerWaalsContact O-CB 3.28Å; F182-F186 WeakPolarHBondContact O-CB 3.47Å; F182-F186 PolarHBondContact O-N 2.99Å
183W97.3Very high96.5Very high127 Ų12735.7 Ų35.748%0.48118%0.175SC..Hα-helixtrans-65.8-32.8178.9-67.7117.3000113.2W10 L14 S181 F186 R187W10-W183 HydrophobicContact CE3-CH2 4.11Å; W10-W183 AromaticContact CE3-CZ2 3.81Å; W10-W183 HydrophobicContact CE3-CZ2 3.81Å; W10-W183 HydrophobicContact CH2-CD2 4.16Å; W10-W183 AromaticContact CH2-CE2 3.52Å; W10-W183 HydrophobicContact CH2-CG 4.47Å; W10-W183 AromaticContact CH2-CZ2 3.81Å; W10-W183 HydrophobicContact CH2-CZ2 3.81Å; W10-W183 AromaticContact CH2-NE1 3.43Å; W10-W183 HydrophobicContact CZ3-CD2 4.03Å; W10-W183 AromaticContact CZ3-CE2 3.49Å; W10-W183 VanDerWaalsContact CZ3-CE2 3.49Å; W10-W183 HydrophobicContact CZ3-CE3 4.4Å; W10-W183 AromaticContact CZ3-CH2 3.85Å; W10-W183 HydrophobicContact CZ3-CH2 3.85Å; W10-W183 AromaticContact CZ3-CZ2 3.39Å; W10-W183 HydrophobicContact CZ3-CZ2 3.39Å; W10-W183 HydrophobicContact CZ3-CZ3 4.32Å; W10-W183 AromaticContact CZ3-NE1 3.93Å; L14-W183 HydrophobicContact CD1-CE3 4.29Å; L14-W183 HydrophobicContact CD1-CH2 3.46Å; L14-W183 VanDerWaalsContact CD1-CH2 3.46Å; L14-W183 HydrophobicContact CD1-CZ2 4.4Å; L14-W183 HydrophobicContact CD1-CZ3 3.39Å; S181-W183 PolarHBondContact O-N 3.13Å; S181-W183 VanDerWaalsContact O-N 3.15Å; S181-W183 PolarHBondContact OG-N 3.47Å; W183-F186 HydrophobicContact CE3-CD1 4.32Å; W183-F186 HydrophobicContact CZ3-CD1 4.46Å; W183-R187 WeakPolarHBondContact O-CB 3.39Å; W183-R187 WeakPolarHBondContact O-CG 3.46Å; W183-R187 PolarHBondContact O-N 3.38Å
184N98.2Very high96.3Very high7 Ų745.8 Ų45.84%0.03721%0.212CC..Hα-helixtrans-66.3-48.2174.6-60.793000110.3D173 V175 Y180 S181 F182 F186 R187 A188D173-N184 PolarHBondContact OD1-ND2 3.34Å; D173-N184 WeakPolarHBondContact OD2-CB 3.23Å; D173-N184 PolarHBondContact OD2-ND2 3.3Å; V175-N184 WeakPolarHBondContact CG1-ND2 3.42Å; Y180-N184 HydrophobicContact CD1-CB 4.39Å; Y180-N184 HydrophobicContact CD2-CB 3.68Å; Y180-N184 HydrophobicContact CE1-CB 4.07Å; Y180-N184 HydrophobicContact CE2-CB 3.29Å; Y180-N184 HydrophobicContact CG-CB 4.2Å; Y180-N184 VanDerWaalsContact CZ-CB 3.49Å; S181-N184 WeakPolarHBondContact CB-OD1 3.39Å; S181-N184 PolarHBondContact N-OD1 2.74Å; S181-N184 WeakPolarHBondContact O-CB 3.37Å; S181-N184 PolarHBondContact O-N 2.78Å; S181-N184 PolarHBondContact OG-OD1 2.99Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-N184 PolarHBondContact O-N 3.38Å; N184-F186 VanDerWaalsContact C-N 3.35Å; N184-F186 PolarHBondContact O-N 3.4Å; N184-R187 PolarHBondContact ND2-NH2 2.94Å; N184-R187 PolarHBondContact O-N 3.49Å; N184-A188 PolarHBondContact O-N 3.5Å
185L97.6Very high95.8Very high0 Ų043.9 Ų43.90%020%0.202CC..Hα-helixtrans-60.7-44.5176-177.359.1000111.9I27 F29 W62 I66 I149 Y180 S181 F182 R187 A188 I189I27-L185 HydrophobicContact CD1-CD1 3.98Å; F29-L185 HydrophobicContact CE1-CD1 4.5Å; F29-L185 HydrophobicContact CZ-CD1 4.08Å; W62-L185 HydrophobicContact CB-CD2 3.57Å; W62-L185 HydrophobicContact CE3-CD2 4.42Å; I66-L185 HydrophobicContact CD1-CD2 3.78Å; I66-L185 HydrophobicContact CD1-CG 4.21Å; I149-L185 HydrophobicContact CD1-CD1 3.92Å; Y180-L185 HydrophobicContact CE1-CB 4.01Å; Y180-L185 WeakPolarHBondContact OH-CA 3.22Å; Y180-L185 PolarHBondContact OH-N 3.11Å; S181-L185 PolarHBondContact O-N 3.4Å; F182-L185 PolarHBondContact O-N 3.44Å; L185-R187 PolarHBondContact O-N 2.6Å; L185-A188 PolarHBondContact O-N 2.88Å; L185-I189 HydrophobicContact CD1-CD1 3.91Å; L185-I189 HydrophobicContact CD1-CG1 4.22Å; L185-I189 HydrophobicContact CG-CD1 3.84Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 3.41Å
186F97.1Very high95.2Very high21 Ų2145.5 Ų45.59%0.09221%0.205CC..Hα-helixtrans-59-46.4177.7-178.1-91.3000111.6L14 L17 L18 F182 W183 N184 I189 L190L14-F186 HydrophobicContact CB-CD2 4.02Å; L14-F186 HydrophobicContact CB-CE2 3.76Å; L14-F186 HydrophobicContact CD1-CD2 4.29Å; L14-F186 HydrophobicContact CD1-CE2 4.18Å; L14-F186 HydrophobicContact CD1-CZ 4.5Å; L14-F186 HydrophobicContact CD2-CE2 4.02Å; L14-F186 HydrophobicContact CD2-CZ 4.12Å; L14-F186 HydrophobicContact CG-CE2 4.21Å; L17-F186 HydrophobicContact CD2-CZ 4.34Å; L18-F186 HydrophobicContact CD1-CD2 3.54Å; L18-F186 HydrophobicContact CD1-CE2 4.05Å; L18-F186 HydrophobicContact CD1-CG 4.41Å; L18-F186 HydrophobicContact CD2-CD2 3.79Å; L18-F186 HydrophobicContact CD2-CE2 3.61Å; L18-F186 HydrophobicContact CD2-CZ 4.25Å; L18-F186 HydrophobicContact CG-CD2 3.65Å; L18-F186 HydrophobicContact CG-CE2 3.59Å; F182-F186 HydrophobicContact CD1-CB 4.25Å; F182-F186 HydrophobicContact CE1-CB 4.02Å; F182-F186 AromaticContact CE1-CD2 4Å; F182-F186 HydrophobicContact CE1-CD2 4Å; F182-F186 HydrophobicContact CE1-CG 4.32Å; F182-F186 HydrophobicContact CZ-CD2 4.43Å; F182-F186 VanDerWaalsContact O-CB 3.28Å; F182-F186 WeakPolarHBondContact O-CB 3.47Å; F182-F186 PolarHBondContact O-N 2.99Å; W183-F186 HydrophobicContact CE3-CD1 4.32Å; W183-F186 HydrophobicContact CZ3-CD1 4.46Å; N184-F186 VanDerWaalsContact C-N 3.35Å; N184-F186 PolarHBondContact O-N 3.4Å; F186-I189 PolarHBondContact O-N 3.29Å; F186-L190 HydrophobicContact CD1-CD1 3.83Å; F186-L190 HydrophobicContact CD1-CG 4.26Å; F186-L190 HydrophobicContact CE1-CD1 3.26Å; F186-L190 HydrophobicContact CE1-CG 3.93Å; F186-L190 HydrophobicContact CZ-CD1 3.84Å; F186-L190 HydrophobicContact CZ-CD2 4.47Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.22Å; F186-L190 PolarHBondContact O-N 2.99Å
187R96.7Very high93.9Very high111 Ų11152 Ų5242%0.41924%0.235SC..Hα-helixtrans-62.4-41.9175.7-76.4-173.6-73129.9-6.8112.3Y171 D173 W183 N184 L185 I189 L190 A191Y171-R187 WeakPolarHBondContact OH-CB 3.46Å; D173-R187 IonicContact OD1-NH1 2.82Å; D173-R187 IonicContact OD1-NH2 2.76Å; D173-R187 IonicContact OD2-CZ 2.66Å; D173-R187 IonicContact OD2-NH1 3.17Å; D173-R187 IonicContact OD2-NH2 3.45Å; W183-R187 WeakPolarHBondContact O-CB 3.39Å; W183-R187 WeakPolarHBondContact O-CG 3.46Å; W183-R187 PolarHBondContact O-N 3.38Å; N184-R187 PolarHBondContact ND2-NH2 2.94Å; N184-R187 PolarHBondContact O-N 3.49Å; L185-R187 PolarHBondContact O-N 2.6Å; R187-I189 PolarHBondContact O-N 3.36Å; R187-L190 PolarHBondContact O-N 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.5Å; R187-A191 PolarHBondContact O-N 2.72Å
188A97.5Very high92.1Very high0 Ų054.9 Ų54.90%025%0.254CS..Hα-helixtrans-61.5-43177.100000112.1L147 I149 Y171 N184 L185 A191 F192L147-A188 HydrophobicContact CD2-CB 4.32Å; I149-A188 HydrophobicContact CD1-CB 3.53Å; I149-A188 HydrophobicContact CG1-CB 3.94Å; Y171-A188 HydrophobicContact CD1-CB 3.48Å; Y171-A188 VanDerWaalsContact CD1-CB 3.48Å; Y171-A188 HydrophobicContact CD2-CB 4.3Å; Y171-A188 HydrophobicContact CE1-CB 3.67Å; Y171-A188 HydrophobicContact CE2-CB 4.46Å; Y171-A188 HydrophobicContact CG-CB 3.82Å; N184-A188 PolarHBondContact O-N 3.5Å; L185-A188 PolarHBondContact O-N 2.88Å; A188-A191 PolarHBondContact O-N 2.9Å; A188-F192 PolarHBondContact O-N 3.33Å
189I96.5Very high90.1Very high0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-70-38.5178.3-63.8167.9000111.1L18 I27 I66 I68 L147 L185 F186 R187 A191 F192 Q193L18-I189 HydrophobicContact CD1-CB 4.24Å; L18-I189 HydrophobicContact CD1-CD1 3.97Å; L18-I189 HydrophobicContact CD1-CG2 4.14Å; L18-I189 HydrophobicContact CD2-CB 4.3Å; L18-I189 HydrophobicContact CD2-CG2 3.92Å; L18-I189 HydrophobicContact CG-CG2 4.44Å; I27-I189 HydrophobicContact CD1-CG1 4.45Å; I66-I189 HydrophobicContact CD1-CD1 3.7Å; I66-I189 HydrophobicContact CG2-CD1 4.06Å; I68-I189 HydrophobicContact CD1-CD1 3.96Å; L147-I189 HydrophobicContact CD2-CG1 4.3Å; L185-I189 HydrophobicContact CD1-CD1 3.91Å; L185-I189 HydrophobicContact CD1-CG1 4.22Å; L185-I189 HydrophobicContact CG-CD1 3.84Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 3.41Å; F186-I189 PolarHBondContact O-N 3.29Å; R187-I189 PolarHBondContact O-N 3.36Å; I189-A191 VanDerWaalsContact C-N 3.31Å; I189-A191 PolarHBondContact O-N 2.91Å; I189-F192 WeakPolarHBondContact O-CB 3.31Å; I189-F192 PolarHBondContact O-N 3.09Å; I189-Q193 HydrophobicContact CG2-CG 4.5Å; I189-Q193 WeakPolarHBondContact O-CB 3.39Å; I189-Q193 WeakPolarHBondContact O-CG 3.2Å; I189-Q193 PolarHBondContact O-N 3.21Å
190L95.1Very high88.1Confident72 Ų7260.3 Ų60.338%0.37729%0.292SS..Hα-helixtrans-62.3-39.3172.7-76.3-175.1000112.2L18 F186 R187 Q193 R194L18-L190 HydrophobicContact CD2-CD2 3.77Å; L18-L190 HydrophobicContact CD2-CG 4.04Å; F186-L190 HydrophobicContact CD1-CD1 3.83Å; F186-L190 HydrophobicContact CD1-CG 4.26Å; F186-L190 HydrophobicContact CE1-CD1 3.26Å; F186-L190 HydrophobicContact CE1-CG 3.93Å; F186-L190 HydrophobicContact CZ-CD1 3.84Å; F186-L190 HydrophobicContact CZ-CD2 4.47Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.22Å; F186-L190 PolarHBondContact O-N 2.99Å; R187-L190 PolarHBondContact O-N 3.31Å; L190-Q193 PolarHBondContact O-N 3.08Å; L190-R194 WeakPolarHBondContact O-CB 3.42Å; L190-R194 PolarHBondContact O-N 3.4Å
191A94.9Very high86Confident23 Ų2362.6 Ų62.619%0.1931%0.307CS..Hα-helixtrans-64.9-42.3175.300000111.4F169 Y171 R187 A188 I189 R194 N195F169-A191 HydrophobicContact CE1-CB 3.77Å; F169-A191 HydrophobicContact CZ-CB 3.98Å; Y171-A191 HydrophobicContact CD2-CB 3.59Å; Y171-A191 HydrophobicContact CE2-CB 3.59Å; R187-A191 WeakPolarHBondContact O-CB 3.5Å; R187-A191 PolarHBondContact O-N 2.72Å; A188-A191 PolarHBondContact O-N 2.9Å; I189-A191 VanDerWaalsContact C-N 3.31Å; I189-A191 PolarHBondContact O-N 2.91Å; A191-R194 PolarHBondContact O-N 2.91Å; A191-N195 PolarHBondContact O-N 2.87Å; A191-N195 PolarHBondContact O-ND2 3.08Å
192F94.9Very high83.9Confident14 Ų1465.8 Ų65.86%0.06132%0.32CS..Hα-helixtrans-57.2-50.9170.9169.1-95.2000111.3P24 D146 L147 F169 A188 I189 R194 N195 Y196P24-F192 HydrophobicContact CB-CD1 4.5Å; P24-F192 HydrophobicContact CB-CE1 4.19Å; P24-F192 HydrophobicContact CB-CE2 4.36Å; P24-F192 HydrophobicContact CB-CZ 4.1Å; P24-F192 HydrophobicContact CG-CD1 4.4Å; P24-F192 HydrophobicContact CG-CE1 4.46Å; D146-F192 HydrophobicContact CB-CE2 3.82Å; D146-F192 HydrophobicContact CB-CZ 4.1Å; L147-F192 HydrophobicContact CB-CD2 4.17Å; L147-F192 HydrophobicContact CD2-CB 4.28Å; F169-F192 HydrophobicContact CB-CD2 3.93Å; F169-F192 HydrophobicContact CD1-CB 4.04Å; F169-F192 HydrophobicContact CG-CD2 4.45Å; A188-F192 PolarHBondContact O-N 3.33Å; I189-F192 WeakPolarHBondContact O-CB 3.31Å; I189-F192 PolarHBondContact O-N 3.09Å; F192-R194 VanDerWaalsContact C-N 3.27Å; F192-R194 PolarHBondContact O-N 3.44Å; F192-N195 CarbonylContact O-C 3.6Å; F192-N195 PolarHBondContact O-N 3.16Å; F192-N195 VanDerWaalsContact O-N 3.09Å; F192-Y196 AromaticContact CE1-CD2 3.71Å; F192-Y196 HydrophobicContact CE1-CD2 3.71Å; F192-Y196 HydrophobicContact CE1-CE2 4.3Å; F192-Y196 HydrophobicContact CE2-CD2 4.16Å; F192-Y196 AromaticContact CZ-CD2 3.47Å; F192-Y196 HydrophobicContact CZ-CD2 3.47Å; F192-Y196 VanDerWaalsContact CZ-CD2 3.47Å; F192-Y196 AromaticContact CZ-CE2 3.84Å; F192-Y196 HydrophobicContact CZ-CE2 3.84Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.34Å
193Q93.5Very high81.8Confident38 Ų3871 Ų7118%0.17834%0.343CS..Hα-helixtrans-57.4-39.5178.8-78.6-178.9-1100113L18 P22 I189 L190 N195 Y196L18-Q193 PolarHBondContact O-NE2 3Å; P22-Q193 HydrophobicContact CG-CG 4.16Å; P22-Q193 WeakPolarHBondContact O-CG 3.42Å; P22-Q193 PolarHBondContact O-NE2 3.49Å; I189-Q193 HydrophobicContact CG2-CG 4.5Å; I189-Q193 WeakPolarHBondContact O-CB 3.39Å; I189-Q193 WeakPolarHBondContact O-CG 3.2Å; I189-Q193 PolarHBondContact O-N 3.21Å; L190-Q193 PolarHBondContact O-N 3.08Å; Q193-N195 VanDerWaalsContact C-N 3.32Å; Q193-N195 PolarHBondContact O-N 2.67Å; Q193-Y196 WeakPolarHBondContact O-CB 3.33Å; Q193-Y196 PolarHBondContact O-N 3.13Å
194R90.6Very high79.7Confident223 Ų22368.8 Ų68.884%0.84234%0.34SS*.Hα-helixtrans-68-31.3179.1-178.6175.4176.1167.40.3113.1L190 A191 F192L190-R194 WeakPolarHBondContact O-CB 3.42Å; L190-R194 PolarHBondContact O-N 3.4Å; A191-R194 PolarHBondContact O-N 2.91Å; F192-R194 VanDerWaalsContact C-N 3.27Å; F192-R194 PolarHBondContact O-N 3.44Å
195N87.4Confident78.1Confident93 Ų9374.9 Ų74.950%0.49737%0.366SS..THydrogen-bonded Turntrans-100.47179.5-66-86.9000112.2F169 A191 F192 Q193 E197F169-N195 HydrophobicContact CD2-CB 3.76Å; F169-N195 HydrophobicContact CE2-CB 3.49Å; F169-N195 VanDerWaalsContact CE2-CB 3.49Å; F169-N195 VanDerWaalsContact CE2-ND2 3.29Å; F169-N195 WeakPolarHBondContact CE2-ND2 3.27Å; F169-N195 HydrophobicContact CZ-CB 4.29Å; F169-N195 WeakPolarHBondContact CZ-ND2 3.45Å; A191-N195 PolarHBondContact O-N 2.87Å; A191-N195 PolarHBondContact O-ND2 3.08Å; F192-N195 CarbonylContact O-C 3.6Å; F192-N195 PolarHBondContact O-N 3.16Å; F192-N195 VanDerWaalsContact O-N 3.09Å; Q193-N195 VanDerWaalsContact C-N 3.32Å; Q193-N195 PolarHBondContact O-N 2.67Å; N195-E197 PolarHBondContact O-N 3.43Å
196Y83.3Confident76.3Confident59 Ų5979 Ų7923%0.23139%0.391CS..  trans-74.9106.9177.8-168.9-83.6000108.6P22 F192 Q193 P198 V201P22-Y196 HydrophobicContact CB-CD1 3.89Å; P22-Y196 HydrophobicContact CB-CD2 3.88Å; P22-Y196 HydrophobicContact CB-CE1 4.07Å; P22-Y196 HydrophobicContact CB-CE2 4.02Å; P22-Y196 HydrophobicContact CB-CG 3.79Å; P22-Y196 HydrophobicContact CG-CD1 3.67Å; P22-Y196 HydrophobicContact CG-CD2 4.1Å; P22-Y196 HydrophobicContact CG-CE1 4.32Å; P22-Y196 HydrophobicContact CG-CG 3.54Å; F192-Y196 AromaticContact CE1-CD2 3.71Å; F192-Y196 HydrophobicContact CE1-CD2 3.71Å; F192-Y196 HydrophobicContact CE1-CE2 4.3Å; F192-Y196 HydrophobicContact CE2-CD2 4.16Å; F192-Y196 AromaticContact CZ-CD2 3.47Å; F192-Y196 HydrophobicContact CZ-CD2 3.47Å; F192-Y196 VanDerWaalsContact CZ-CD2 3.47Å; F192-Y196 AromaticContact CZ-CE2 3.84Å; F192-Y196 HydrophobicContact CZ-CE2 3.84Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.34Å; Q193-Y196 WeakPolarHBondContact O-CB 3.33Å; Q193-Y196 PolarHBondContact O-N 3.13Å; Y196-P198 WeakPolarHBondContact O-CD 3.32Å; Y196-V201 HydrophobicContact CD1-CG2 3.96Å; Y196-V201 HydrophobicContact CE1-CB 3.91Å; Y196-V201 HydrophobicContact CE1-CG2 3.14Å
197E70.3Confident74.6Confident154 Ų15485.2 Ų85.272%0.7241%0.414SS*.  trans-67.6121.7178.5-79.4-65.7159.900110.6N195 A199N195-E197 PolarHBondContact O-N 3.43Å; E197-A199 PolarHBondContact O-N 3.3Å
198P59.7Low73.1Confident62 Ų6285.4 Ų85.440%0.40342%0.42SS..THydrogen-bonded Turntrans-66.3-7.3-171-22.932.8000115.9Y196 E200 V201 I202Y196-P198 WeakPolarHBondContact O-CD 3.32Å; P198-E200 PolarHBondContact O-N 3.43Å; P198-E200 VanDerWaalsContact O-N 3.1Å; P198-V201 CarbonylContact O-C 3.6Å; P198-V201 PolarHBondContact O-N 3.23Å; P198-I202 HydrophobicContact CB-CD1 3.92Å; P198-I202 HydrophobicContact CB-CG1 4.06Å; P198-I202 WeakPolarHBondContact O-CG1 3.43Å; P198-I202 PolarHBondContact O-N 3.21Å
199A52.7Low71.7Confident82 Ų8289 Ų8968%0.67844%0.442SS*.Hα-helixtrans-55.2-36.1-172.400000112.3E197 F203E197-A199 PolarHBondContact O-N 3.3Å; A199-F203 PolarHBondContact O-N 3.17Å
200E55Low70.3Confident128 Ų12892.6 Ų92.660%0.59847%0.467SS*.Hα-helixtrans-82.9-32.7177.4-144.9175.6-169.400112.9P198 N204P198-E200 PolarHBondContact O-N 3.43Å; P198-E200 VanDerWaalsContact O-N 3.1Å; E200-N204 WeakPolarHBondContact O-CB 3.44Å; E200-N204 VanDerWaalsContact O-CG 3.31Å; E200-N204 PolarHBondContact O-N 3.29Å; E200-N204 PolarHBondContact O-ND2 2.84Å; E200-N204 VanDerWaalsContact O-ND2 3.14Å
201V54.4Low68.8Low58 Ų5895 Ų9535%0.35248%0.478SS..Hα-helixtrans-73.8-39.2177.6156.60000112.5P22 Y196 P198 F203 N204 F205P22-V201 HydrophobicContact CB-CG2 4.38Å; Y196-V201 HydrophobicContact CD1-CG2 3.96Å; Y196-V201 HydrophobicContact CE1-CB 3.91Å; Y196-V201 HydrophobicContact CE1-CG2 3.14Å; P198-V201 CarbonylContact O-C 3.6Å; P198-V201 PolarHBondContact O-N 3.23Å; V201-F203 VanDerWaalsContact C-N 3.31Å; V201-N204 PolarHBondContact O-N 2.8Å; V201-F205 WeakPolarHBondContact O-CB 3.49Å; V201-F205 PolarHBondContact O-N 3.38Å
202I52Low67.3Low106 Ų10699.5 Ų99.554%0.54449%0.494SS..Hα-helixtrans-61.7-44.8173.3-67.3171.7000109.1P198 F205 V206P198-I202 HydrophobicContact CB-CD1 3.92Å; P198-I202 HydrophobicContact CB-CG1 4.06Å; P198-I202 WeakPolarHBondContact O-CG1 3.43Å; P198-I202 PolarHBondContact O-N 3.21Å; I202-F205 PolarHBondContact O-N 3.12Å; I202-V206 HydrophobicContact CG2-CG2 4.35Å; I202-V206 WeakPolarHBondContact O-CB 3.45Å; I202-V206 VanDerWaalsContact O-CG2 3.22Å; I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.2Å
203F52.8Low65.9Low114 Ų114101.2 Ų101.250%0.551%0.512SS..Hα-helixtrans-61.7-45.4177.4-173.8-98.1000112.3A199 V201 V206 R207A199-F203 PolarHBondContact O-N 3.17Å; V201-F203 VanDerWaalsContact C-N 3.31Å; F203-V206 PolarHBondContact O-N 3.08Å; F203-R207 HydrophobicContact CE1-CG 4.31Å; F203-R207 WeakPolarHBondContact O-CB 3.2Å; F203-R207 PolarHBondContact O-N 3.41Å
204N54.3Low64.3Low79 Ų79101.8 Ų101.842%0.42252%0.52SS..Hα-helixtrans-69-37.8178-75.1-33.7000112.9E200 V201 R207 Q208E200-N204 WeakPolarHBondContact O-CB 3.44Å; E200-N204 VanDerWaalsContact O-CG 3.31Å; E200-N204 PolarHBondContact O-N 3.29Å; E200-N204 PolarHBondContact O-ND2 2.84Å; E200-N204 VanDerWaalsContact O-ND2 3.14Å; V201-N204 PolarHBondContact O-N 2.8Å; N204-R207 PolarHBondContact O-N 2.86Å; N204-Q208 WeakPolarHBondContact O-CB 3.5Å; N204-Q208 PolarHBondContact O-N 3.37Å
205F63.6Low62.7Low135 Ų13595 Ų9559%0.59250%0.503SS*.Hα-helixtrans-63.3-47.8173.9-179.6-101.9000111.1V201 I202 R207 Q208 V209V201-F205 WeakPolarHBondContact O-CB 3.49Å; V201-F205 PolarHBondContact O-N 3.38Å; I202-F205 PolarHBondContact O-N 3.12Å; F205-R207 VanDerWaalsContact C-N 3.32Å; F205-R207 PolarHBondContact O-N 2.9Å; F205-Q208 PolarHBondContact O-N 2.89Å; F205-V209 HydrophobicContact CD1-CG2 4.28Å; F205-V209 HydrophobicContact CD2-CG2 4.42Å; F205-V209 HydrophobicContact CE1-CG2 3.95Å; F205-V209 HydrophobicContact CE2-CG2 4.1Å; F205-V209 HydrophobicContact CZ-CG2 3.85Å; F205-V209 WeakPolarHBondContact O-CB 3.37Å; F205-V209 VanDerWaalsContact O-CG2 3.29Å; F205-V209 WeakPolarHBondContact O-CG2 3.29Å; F205-V209 PolarHBondContact O-N 3.42Å
206V60.6Low61.2Low86 Ų8695.6 Ų95.652%0.52151%0.506SS..Hα-helixtrans-60.2-41.9175.3171.40000111I202 F203 S210I202-V206 HydrophobicContact CG2-CG2 4.35Å; I202-V206 WeakPolarHBondContact O-CB 3.45Å; I202-V206 VanDerWaalsContact O-CG2 3.22Å; I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.2Å; F203-V206 PolarHBondContact O-N 3.08Å; V206-S210 WeakPolarHBondContact O-CB 3.46Å; V206-S210 PolarHBondContact O-N 3.21Å
207R60.5Low59.9Low152 Ų152100.2 Ų100.257%0.57453%0.527SS*.Hα-helixtrans-62.4-44.6174.2-93-169.5159.6-173.4-3.5112.9F203 N204 F205 S210 M211F203-R207 HydrophobicContact CE1-CG 4.31Å; F203-R207 WeakPolarHBondContact O-CB 3.2Å; F203-R207 PolarHBondContact O-N 3.41Å; N204-R207 PolarHBondContact O-N 2.86Å; F205-R207 VanDerWaalsContact C-N 3.32Å; F205-R207 PolarHBondContact O-N 2.9Å; R207-S210 PolarHBondContact O-N 3.37Å; R207-M211 PolarHBondContact O-N 2.85Å
208Q64.7Low59.2Low116 Ų116101.9 Ų101.954%0.54253%0.527SS..Hα-helixtrans-66.8-42.5-178.9-169.2171.89.900111.2N204 F205 M211 H212N204-Q208 WeakPolarHBondContact O-CB 3.5Å; N204-Q208 PolarHBondContact O-N 3.37Å; F205-Q208 PolarHBondContact O-N 2.89Å; Q208-M211 PolarHBondContact O-N 3.47Å; Q208-H212 PolarHBondContact O-N 3.28Å; Q208-H212 VanDerWaalsContact O-N 3.09Å; Q208-H212 PolarHBondContact O-ND1 3.5Å
209V69.1Low59.2Low76 Ų76104 Ų10446%0.46153%0.534SS..Hα-helixtrans-63.8-44.5173.51740000110.7F205 M211 H212 A213F205-V209 HydrophobicContact CD1-CG2 4.28Å; F205-V209 HydrophobicContact CD2-CG2 4.42Å; F205-V209 HydrophobicContact CE1-CG2 3.95Å; F205-V209 HydrophobicContact CE2-CG2 4.1Å; F205-V209 HydrophobicContact CZ-CG2 3.85Å; F205-V209 WeakPolarHBondContact O-CB 3.37Å; F205-V209 VanDerWaalsContact O-CG2 3.29Å; F205-V209 WeakPolarHBondContact O-CG2 3.29Å; F205-V209 PolarHBondContact O-N 3.42Å; V209-M211 VanDerWaalsContact C-N 3.34Å; V209-M211 PolarHBondContact O-N 3.28Å; V209-H212 PolarHBondContact O-N 3.43Å; V209-A213 WeakPolarHBondContact O-CB 3.37Å; V209-A213 PolarHBondContact O-N 2.77Å
210S66.1Low59.4Low75 Ų75106 Ų10652%0.52453%0.533SS..Hα-helixtrans-62.2-38.6177.5-174.30000112.5V206 R207 S214V206-S210 WeakPolarHBondContact O-CB 3.46Å; V206-S210 PolarHBondContact O-N 3.21Å; R207-S210 PolarHBondContact O-N 3.37Å; S210-S214 WeakPolarHBondContact O-CB 3.34Å; S210-S214 PolarHBondContact O-N 2.94Å; S210-S214 PolarHBondContact O-OG 2.66Å
211M64.9Low59.5Low123 Ų123104.3 Ų104.361%0.60654%0.535SS*.Hα-helixtrans-65.5-46.4175.1-79-157-76.900111.4R207 Q208 V209 A213 S214 T215R207-M211 PolarHBondContact O-N 2.85Å; Q208-M211 PolarHBondContact O-N 3.47Å; V209-M211 VanDerWaalsContact C-N 3.34Å; V209-M211 PolarHBondContact O-N 3.28Å; M211-A213 PolarHBondContact O-N 3.24Å; M211-S214 PolarHBondContact O-N 3.11Å; M211-S214 PolarHBondContact O-OG 2.94Å; M211-T215 PolarHBondContact O-N 3.33Å; M211-T215 PolarHBondContact O-OG1 2.97Å; M211-T215 VanDerWaalsContact O-OG1 3.11Å
212H64Low59.5Low116 Ų116107.1 Ų107.154%0.53755%0.552SS.*Hα-helixtrans-64.5-39.9177.6-74.575.2000112.3Q208 V209 S214 T215 L216Q208-H212 PolarHBondContact O-N 3.28Å; Q208-H212 VanDerWaalsContact O-N 3.09Å; Q208-H212 PolarHBondContact O-ND1 3.5Å; V209-H212 PolarHBondContact O-N 3.43Å; H212-S214 VanDerWaalsContact C-N 3.35Å; H212-S214 PolarHBondContact O-N 2.81Å; H212-T215 PolarHBondContact O-N 3.09Å; H212-L216 WeakPolarHBondContact O-CB 3.47Å; H212-L216 WeakPolarHBondContact O-CG 3.36Å; H212-L216 PolarHBondContact O-N 2.97Å
213A64.4Low59.3Low51 Ų51110.4 Ų110.442%0.42158%0.577SS.*Hα-helixtrans-61.9-42.3174.500000111.6V209 M211 T215 L216 F217V209-A213 WeakPolarHBondContact O-CB 3.37Å; V209-A213 PolarHBondContact O-N 2.77Å; M211-A213 PolarHBondContact O-N 3.24Å; A213-T215 PolarHBondContact O-N 3.49Å; A213-L216 PolarHBondContact O-N 3.36Å; A213-F217 WeakPolarHBondContact O-CB 3.38Å; A213-F217 PolarHBondContact O-N 3.15Å
214S60.2Low59.6Low50 Ų50110.2 Ų110.235%0.3558%0.581SS.*Hα-helixtrans-68.7-31.7177.772.10000113.5S210 M211 H212 R218S210-S214 WeakPolarHBondContact O-CB 3.34Å; S210-S214 PolarHBondContact O-N 2.94Å; S210-S214 PolarHBondContact O-OG 2.66Å; M211-S214 PolarHBondContact O-N 3.11Å; M211-S214 PolarHBondContact O-OG 2.94Å; H212-S214 VanDerWaalsContact C-N 3.35Å; H212-S214 PolarHBondContact O-N 2.81Å; S214-R218 WeakPolarHBondContact O-CG 3.36Å; S214-R218 PolarHBondContact O-N 3.08Å; S214-R218 VanDerWaalsContact O-N 3.15Å
215T57.3Low59.9Low79 Ų79111.8 Ų111.849%0.48559%0.59SS.*Hα-helixtrans-72-41.2173.8-58.80000111.3M211 H212 A213 R218 L219M211-T215 PolarHBondContact O-N 3.33Å; M211-T215 PolarHBondContact O-OG1 2.97Å; M211-T215 VanDerWaalsContact O-OG1 3.11Å; H212-T215 PolarHBondContact O-N 3.09Å; A213-T215 PolarHBondContact O-N 3.49Å; T215-R218 PolarHBondContact O-N 3.16Å; T215-L219 HydrophobicContact CG2-CD1 4.19Å; T215-L219 WeakPolarHBondContact O-CG 3.48Å; T215-L219 PolarHBondContact O-N 3.37Å; T215-L219 VanDerWaalsContact O-N 3.08Å
216L55.4Low59.7Low107 Ų107110.6 Ų110.656%0.5659%0.589SS**Hα-helixtrans-65.4-38174.9-73.3166000112.1H212 A213 L219 N220H212-L216 WeakPolarHBondContact O-CB 3.47Å; H212-L216 WeakPolarHBondContact O-CG 3.36Å; H212-L216 PolarHBondContact O-N 2.97Å; A213-L216 PolarHBondContact O-N 3.36Å; L216-L219 PolarHBondContact O-N 3.33Å; L216-N220 PolarHBondContact O-N 3.39Å; L216-N220 VanDerWaalsContact O-N 3.16Å
217F55.5Low59.6Low155 Ų155112 Ų11268%0.6859%0.593SS**Hα-helixtrans-65.4-38175-127.8-87.5000112.2A213 C221A213-F217 WeakPolarHBondContact O-CB 3.38Å; A213-F217 PolarHBondContact O-N 3.15Å; F217-C221 PolarHBondContact O-N 2.92Å; F217-C221 PolarHBondContact O-SG 3.39Å; F217-C221 VanDerWaalsContact O-SG 3.37Å
218R57Low59.6Low190 Ų190109.5 Ų109.572%0.71760%0.595SS**Hα-helixtrans-68.2-37.1175.6-74.5-178.4-149.7-137.14.4112.8S214 T215 N220 C221 T222S214-R218 WeakPolarHBondContact O-CG 3.36Å; S214-R218 PolarHBondContact O-N 3.08Å; S214-R218 VanDerWaalsContact O-N 3.15Å; T215-R218 PolarHBondContact O-N 3.16Å; R218-N220 VanDerWaalsContact C-N 3.34Å; R218-C221 PolarHBondContact O-N 3.47Å; R218-T222 PolarHBondContact O-OG1 3.31Å
219L58.2Low59.2Low107 Ų107109.1 Ų109.156%0.5660%0.598SS**Hα-helixtrans-69.8-30.6178.8-71.3166.9000112.5T215 L216 T222T215-L219 HydrophobicContact CG2-CD1 4.19Å; T215-L219 WeakPolarHBondContact O-CG 3.48Å; T215-L219 PolarHBondContact O-N 3.37Å; T215-L219 VanDerWaalsContact O-N 3.08Å; L216-L219 PolarHBondContact O-N 3.33Å; L219-T222 PolarHBondContact O-OG1 3.33Å
220N57.5Low58.5Low122 Ų122111.4 Ų111.465%0.65261%0.608SS**THydrogen-bonded Turntrans-85.8-6.6178.3-74.8-13.1000114.7L216 R218L216-N220 PolarHBondContact O-N 3.39Å; L216-N220 VanDerWaalsContact O-N 3.16Å; R218-N220 VanDerWaalsContact C-N 3.34Å
221C58Low57.9Low93 Ų93114.2 Ų114.263%0.62861%0.614SS**THydrogen-bonded Turntrans-101.12.7175.6-68.70000113.5F217 R218F217-C221 PolarHBondContact O-N 2.92Å; F217-C221 PolarHBondContact O-SG 3.39Å; F217-C221 VanDerWaalsContact O-SG 3.37Å; R218-C221 PolarHBondContact O-N 3.47Å
222T54.3Low57.3Low117 Ų117113.5 Ų113.572%0.71862%0.615SS**  trans-112.218.2179.847.40000114R218 L219R218-T222 PolarHBondContact O-OG1 3.31Å; L219-T222 PolarHBondContact O-OG1 3.33Å
223T46.5Very low56.7Low175 Ų175113.3 Ų113.3100%1.07462%0.622SS**  trans-125.90169.250.20000109.3

Retrieved 223 of 223 residues in 595.5 ms (Link to these results)

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