A0A077Z5T0_TRITR Loading...

Vacuolar protein sorting associated protein 33A

AlphaFold DB , UniProt , Accession A0A077Z5T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 631 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
1M46.3Very low50Low73 Ų7393.1 Ų93.136%0.3651%0.507SS..  0141.10-91.1-172.5160.200109.5Q5 R6 V16M1-Q5 HydrophobicContact CE-CB 4.39Å; M1-Q5 HydrophobicContact SD-CB 4.07Å; M1-R6 HydrophobicContact CB-CG 4.25Å; M1-V16 HydrophobicContact CE-CB 4.45Å; M1-V16 HydrophobicContact CE-CG1 3.68Å; M1-V16 HydrophobicContact CE-CG2 4.03Å; M1-V16 HydrophobicContact SD-CG1 3.96Å
2P45.4Very low52.5Low78 Ų7885.7 Ų85.751%0.50647%0.467SS..  trans-56.1141.2164.5-16.529.6000109.3S4 Q5P2-S4 PolarHBondContact O-N 3.03Å; P2-Q5 PolarHBondContact O-N 3.35Å
3T44.2Very low55.2Low105 Ų10580.8 Ų80.864%0.64444%0.441SS*.Hα-helixtrans-53.2-28.9-177.7-18.30000112.8R6T3-R6 PolarHBondContact O-N 3.22Å
4S38.3Very low58Low80 Ų8075.1 Ų75.156%0.55941%0.41SS*.Hα-helixtrans-65.4-34.5177.753.60000114.2P2 R6P2-S4 PolarHBondContact O-N 3.03Å; S4-R6 VanDerWaalsContact C-N 3.3Å
5Q47.6Very low60.1Low85 Ų8575.3 Ų75.340%0.39741%0.41SS..Hα-helixtrans-76.8-19.7176.7-72.5-175-1900112.7M1 P2M1-Q5 HydrophobicContact CE-CB 4.39Å; M1-Q5 HydrophobicContact SD-CB 4.07Å; P2-Q5 PolarHBondContact O-N 3.35Å
6R51.2Low62.1Low35 Ų3570.8 Ų70.813%0.13239%0.386CS..Hα-helixtrans-74.4-29.1176.2-68.7-169.6175.3-170.24.7112.5M1 T3 S4 D8 Q9 E185 T186 M219M1-R6 HydrophobicContact CB-CG 4.25Å; T3-R6 PolarHBondContact O-N 3.22Å; S4-R6 VanDerWaalsContact C-N 3.3Å; R6-D8 VanDerWaalsContact C-N 3.27Å; R6-D8 PolarHBondContact O-N 2.95Å; R6-Q9 PolarHBondContact O-N 3.45Å; R6-E185 PolarHBondContact NH2-O 3.31Å; R6-T186 PolarHBondContact NH2-O 3.29Å; R6-T186 VanDerWaalsContact NH2-O 3.16Å; R6-M219 PolarHBondContact NH1-SD 3.39Å; R6-M219 VanDerWaalsContact NH2-CE 3.26Å; R6-M219 PolarHBondContact NH2-SD 2.83Å; R6-M219 VanDerWaalsContact NH2-SD 3.41Å
7Q41.8Very low63.9Low164 Ų16466.8 Ų66.877%0.76636%0.364SS*.THydrogen-bonded Turntrans-69.7-24.5-176.5-71.7-179.6-21.400113.1
8D47.3Very low65.6Low147 Ų14767.2 Ų67.279%0.78636%0.362SS*.THydrogen-bonded Turntrans-86.4-13.9177.4-67.5-27.2000113.4R6R6-D8 VanDerWaalsContact C-N 3.27Å; R6-D8 PolarHBondContact O-N 2.95Å
9Q56.1Low67Low53 Ų5368.2 Ų68.225%0.24836%0.364CS..  trans-100.291.7-179-74.9-175.3-23.300111R6 Y11 V16R6-Q9 PolarHBondContact O-N 3.45Å; Q9-Y11 PolarHBondContact O-N 3.32Å; Q9-Y11 VanDerWaalsContact O-N 3.13Å; Q9-V16 VanDerWaalsContact OE1-CG2 3.23Å
10A60.1Low68.4Low87 Ų8766.3 Ų66.372%0.71936%0.355SS*.  trans-70-1.1177.600000114.5
11Y71.8Confident69.6Low117 Ų11763.2 Ų63.246%0.45934%0.338SS..SBendtrans-151.4154.9-17860.3-85.4000111.7Q9 D13Q9-Y11 PolarHBondContact O-N 3.32Å; Q9-Y11 VanDerWaalsContact O-N 3.13Å; Y11-D13 HydrophobicContact CD2-CB 4.17Å; Y11-D13 HydrophobicContact CE2-CB 3.81Å; Y11-D13 PolarHBondContact O-N 3.1Å
12A80.4Confident72Confident4 Ų462.1 Ų62.13%0.03333%0.33CS..  trans-68.6111.2171.500000110.3F187 L222 I223 V579 I608A12-F187 HydrophobicContact CB-CD1 4.05Å; A12-F187 HydrophobicContact CB-CE1 4.21Å; A12-L222 HydrophobicContact CB-CB 4.3Å; A12-I223 HydrophobicContact CB-CG1 4.04Å; A12-V579 HydrophobicContact CB-CG1 4.43Å; A12-I608 HydrophobicContact CB-CD1 4.13Å
13D87.7Confident74.3Confident23 Ų2364.1 Ų64.112%0.12333%0.331CS..  trans-113.5120.6170.5-176.7-6.7000109.6Y11 N15 V16Y11-D13 HydrophobicContact CD2-CB 4.17Å; Y11-D13 HydrophobicContact CE2-CB 3.81Å; Y11-D13 PolarHBondContact O-N 3.1Å; D13-N15 PolarHBondContact O-N 3.21Å; D13-N15 WeakPolarHBondContact OD1-CB 3.46Å; D13-N15 PolarHBondContact OD1-N 3.36Å; D13-N15 PolarHBondContact OD1-ND2 3.37Å; D13-N15 PolarHBondContact OD2-ND2 3.23Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 WeakPolarHBondContact O-CG2 3.49Å; D13-V16 PolarHBondContact O-N 3.28Å; D13-V16 VanDerWaalsContact O-N 3.1Å
14F93.6Very high76.8Confident1 Ų161.8 Ų61.80%0.00431%0.314CS..THydrogen-bonded Turntrans-70-8179.3-68.5-35.6000115V16 V17 A148 K151 D152 I154 F187 L581 I608F14-V16 PolarHBondContact O-N 2.72Å; F14-V16 VanDerWaalsContact O-N 3.15Å; F14-V17 HydrophobicContact CB-CG2 4.46Å; F14-V17 HydrophobicContact CD1-CG2 4.07Å; F14-V17 VanDerWaalsContact O-CB 3.24Å; F14-V17 WeakPolarHBondContact O-CB 3.36Å; F14-V17 PolarHBondContact O-N 3.41Å; F14-A148 HydrophobicContact CB-CB 4.33Å; F14-A148 WeakPolarHBondContact O-CB 3.35Å; F14-K151 PolarHBondContact N-O 3.34Å; F14-K151 VanDerWaalsContact N-O 3.15Å; F14-D152 VanDerWaalsContact CD2-C 3.46Å; F14-D152 WeakPolarHBondContact CE2-O 3.28Å; F14-I154 HydrophobicContact CB-CG2 3.49Å; F14-I154 VanDerWaalsContact CB-CG2 3.49Å; F14-I154 HydrophobicContact CD1-CD1 4.06Å; F14-I154 HydrophobicContact CD1-CG2 3.95Å; F14-I154 HydrophobicContact CD2-CB 4.26Å; F14-I154 HydrophobicContact CD2-CG1 4.13Å; F14-I154 HydrophobicContact CD2-CG2 3.55Å; F14-I154 HydrophobicContact CE1-CD1 3.72Å; F14-I154 HydrophobicContact CE1-CG1 4.26Å; F14-I154 HydrophobicContact CE2-CB 4.44Å; F14-I154 HydrophobicContact CE2-CD1 4.21Å; F14-I154 HydrophobicContact CE2-CG1 3.83Å; F14-I154 HydrophobicContact CE2-CG2 4.17Å; F14-I154 HydrophobicContact CG-CB 4.47Å; F14-I154 HydrophobicContact CG-CD1 4.47Å; F14-I154 HydrophobicContact CG-CG1 4.46Å; F14-I154 HydrophobicContact CG-CG2 3.41Å; F14-I154 VanDerWaalsContact CG-CG2 3.41Å; F14-I154 HydrophobicContact CZ-CD1 3.78Å; F14-I154 HydrophobicContact CZ-CG1 3.9Å; F14-F187 AromaticContact CD1-CE2 3.94Å; F14-F187 HydrophobicContact CD1-CE2 3.94Å; F14-F187 AromaticContact CD1-CZ 3.8Å; F14-F187 HydrophobicContact CD1-CZ 3.8Å; F14-F187 HydrophobicContact CE1-CE2 4.11Å; F14-F187 HydrophobicContact CE1-CZ 4.31Å; F14-L581 HydrophobicContact CZ-CD1 3.88Å; F14-I608 HydrophobicContact CE1-CD1 3.89Å; F14-I608 HydrophobicContact CE2-CB 3.87Å; F14-I608 HydrophobicContact CE2-CD1 4.24Å; F14-I608 HydrophobicContact CE2-CG1 4.27Å; F14-I608 HydrophobicContact CZ-CB 3.94Å; F14-I608 HydrophobicContact CZ-CD1 3.48Å; F14-I608 VanDerWaalsContact CZ-CD1 3.48Å; F14-I608 HydrophobicContact CZ-CG1 3.81Å
15N89.6Confident79.5Confident77 Ų7758.1 Ų58.141%0.41229%0.288SS..Hα-helixtrans-56.5-27.2164.9-71.3-48.2000112.4D13 V17 K18 E19D13-N15 PolarHBondContact O-N 3.21Å; D13-N15 WeakPolarHBondContact OD1-CB 3.46Å; D13-N15 PolarHBondContact OD1-N 3.36Å; D13-N15 PolarHBondContact OD1-ND2 3.37Å; D13-N15 PolarHBondContact OD2-ND2 3.23Å; N15-V17 VanDerWaalsContact C-N 3.27Å; N15-V17 PolarHBondContact O-N 3.32Å; N15-K18 WeakPolarHBondContact O-CB 3.44Å; N15-K18 PolarHBondContact O-N 3.47Å; N15-E19 PolarHBondContact O-N 3.19Å
16V92.1Very high81.9Confident4 Ų455.1 Ų55.12%0.02427%0.274CS..Hα-helixtrans-61.6-36.8173.1177.90000111.8M1 Q9 D13 F14 K18 E19 V20 T186 F187M1-V16 HydrophobicContact CE-CB 4.45Å; M1-V16 HydrophobicContact CE-CG1 3.68Å; M1-V16 HydrophobicContact CE-CG2 4.03Å; M1-V16 HydrophobicContact SD-CG1 3.96Å; Q9-V16 VanDerWaalsContact OE1-CG2 3.23Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 WeakPolarHBondContact O-CG2 3.49Å; D13-V16 PolarHBondContact O-N 3.28Å; D13-V16 VanDerWaalsContact O-N 3.1Å; F14-V16 PolarHBondContact O-N 2.72Å; F14-V16 VanDerWaalsContact O-N 3.15Å; V16-K18 VanDerWaalsContact C-N 3.3Å; V16-K18 PolarHBondContact O-N 3.32Å; V16-E19 PolarHBondContact O-N 3.14Å; V16-V20 HydrophobicContact CG1-CG2 4.35Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 3.48Å; V16-T186 HydrophobicContact CB-CG2 4.48Å; V16-T186 HydrophobicContact CG1-CG2 3.56Å; V16-F187 HydrophobicContact CB-CE1 4.32Å; V16-F187 HydrophobicContact CB-CZ 4.22Å
17V93.4Very high84Confident3 Ų357.4 Ų57.42%0.01830%0.296CS..Hα-helixtrans-61.8-42.2177.3178.90000110.2F14 N15 E19 V20 S21 F146 I154 L183 F187F14-V17 HydrophobicContact CB-CG2 4.46Å; F14-V17 HydrophobicContact CD1-CG2 4.07Å; F14-V17 VanDerWaalsContact O-CB 3.24Å; F14-V17 WeakPolarHBondContact O-CB 3.36Å; F14-V17 PolarHBondContact O-N 3.41Å; N15-V17 VanDerWaalsContact C-N 3.27Å; N15-V17 PolarHBondContact O-N 3.32Å; V17-E19 PolarHBondContact O-N 2.79Å; V17-V20 PolarHBondContact O-N 3.05Å; V17-S21 WeakPolarHBondContact O-CB 3.49Å; V17-S21 PolarHBondContact O-N 3.47Å; V17-S21 PolarHBondContact O-OG 2.78Å; V17-S21 VanDerWaalsContact O-OG 3.09Å; V17-F146 HydrophobicContact CG1-CB 3.74Å; V17-I154 HydrophobicContact CG2-CG2 4.44Å; V17-L183 HydrophobicContact CG2-CD2 4.26Å; V17-F187 HydrophobicContact CG2-CE2 3.72Å; V17-F187 HydrophobicContact CG2-CZ 3.92Å
18K93.5Very high86.6Confident74 Ų7450.1 Ų50.132%0.32226%0.262SS..Hα-helixtrans-58-48.6174.2175.1-179.9175.71660111.3N15 V16 V20 S21 R22 L50N15-K18 WeakPolarHBondContact O-CB 3.44Å; N15-K18 PolarHBondContact O-N 3.47Å; V16-K18 VanDerWaalsContact C-N 3.3Å; V16-K18 PolarHBondContact O-N 3.32Å; K18-V20 PolarHBondContact O-N 3.26Å; K18-S21 PolarHBondContact O-N 2.86Å; K18-R22 HydrophobicContact CG-CG 4.49Å; K18-R22 WeakPolarHBondContact O-CG 2.95Å; K18-R22 PolarHBondContact O-N 3.24Å; K18-L50 VanDerWaalsContact CD-O 3.23Å; K18-L50 WeakPolarHBondContact CD-O 3.45Å; K18-L50 WeakPolarHBondContact CE-O 3.44Å; K18-L50 PolarHBondContact NZ-O 3.43Å
19E93Very high88.9Confident85 Ų8543.1 Ų43.140%0.39722%0.224SC..Hα-helixtrans-65.6-37.3-179.1-68.2-53.512700113.3N15 V16 V17 K23N15-E19 PolarHBondContact O-N 3.19Å; V16-E19 PolarHBondContact O-N 3.14Å; V17-E19 PolarHBondContact O-N 2.79Å; E19-K23 WeakPolarHBondContact O-CG 3.44Å; E19-K23 PolarHBondContact O-N 3.42Å
20V93.9Very high90.7Very high31 Ų3145.1 Ų45.119%0.18824%0.237CC..Hα-helixtrans-63.3-47.8173.2172.80000110.4V16 V17 K18 R22 K23 L24 T186V16-V20 HydrophobicContact CG1-CG2 4.35Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 3.48Å; V17-V20 PolarHBondContact O-N 3.05Å; K18-V20 PolarHBondContact O-N 3.26Å; V20-R22 PolarHBondContact O-N 2.88Å; V20-K23 PolarHBondContact O-N 3.02Å; V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.42Å; V20-T186 HydrophobicContact CG2-CG2 4.45Å
21S95Very high92.4Very high1 Ų148.4 Ų48.41%0.00723%0.231CC..Hα-helixtrans-62.2-40.1178.2-650000112.7V17 K18 L24 L25V17-S21 WeakPolarHBondContact O-CB 3.49Å; V17-S21 PolarHBondContact O-N 3.47Å; V17-S21 PolarHBondContact O-OG 2.78Å; V17-S21 VanDerWaalsContact O-OG 3.09Å; K18-S21 PolarHBondContact O-N 2.86Å; S21-L24 PolarHBondContact O-N 2.64Å; S21-L25 WeakPolarHBondContact O-CB 3.01Å; S21-L25 PolarHBondContact O-N 3.27Å
22R95.2Very high93.5Very high50 Ų5043 Ų4319%0.18921%0.21CC..Hα-helixtrans-58.2-50.2173.3-77.7178.269.280.6-3.5111.3K18 V20 L24 L25 F26 I51 D56K18-R22 HydrophobicContact CG-CG 4.49Å; K18-R22 WeakPolarHBondContact O-CG 2.95Å; K18-R22 PolarHBondContact O-N 3.24Å; V20-R22 PolarHBondContact O-N 2.88Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 3.34Å; R22-L25 PolarHBondContact O-N 2.99Å; R22-F26 HydrophobicContact CB-CD2 4.28Å; R22-F26 HydrophobicContact CB-CE2 4.01Å; R22-F26 HydrophobicContact CG-CE2 4.31Å; R22-F26 WeakPolarHBondContact O-CD2 3.28Å; R22-F26 WeakPolarHBondContact O-CG 3.37Å; R22-F26 PolarHBondContact O-N 2.94Å; R22-I51 HydrophobicContact CB-CG2 4.25Å; R22-I51 WeakPolarHBondContact CD-O 3.38Å; R22-I51 HydrophobicContact CG-CG2 3.49Å; R22-I51 VanDerWaalsContact CG-CG2 3.49Å; R22-I51 WeakPolarHBondContact CG-O 3.25Å; R22-I51 PolarHBondContact NH1-O 3.45Å; R22-D56 IonicContact CZ-OD2 3.28Å; R22-D56 IonicContact NH1-OD2 2.98Å; R22-D56 PolarHBondContact NH1-OD2 3.37Å; R22-D56 IonicContact NH2-OD2 2.69Å; R22-D56 PolarHBondContact NH2-OD2 3.14Å
23K95.3Very high94Very high121 Ų12148.7 Ų48.753%0.52624%0.243SC..Hα-helixtrans-60.6-42.2179.5-73.6174.7-176.7176.80112.2E19 V20 S27E19-K23 WeakPolarHBondContact O-CG 3.44Å; E19-K23 PolarHBondContact O-N 3.42Å; V20-K23 PolarHBondContact O-N 3.02Å; K23-S27 WeakPolarHBondContact O-CB 3.46Å; K23-S27 PolarHBondContact O-N 2.93Å
24L95.7Very high94.1Very high55 Ų5548.8 Ų48.829%0.28825%0.25SS..Hα-helixtrans-62.8-45.2176.5-71.5168.8000111.9V20 S21 R22 L28 L142 P143V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.42Å; S21-L24 PolarHBondContact O-N 2.64Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 3.34Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.95Å; L24-L142 HydrophobicContact CB-CD1 3.9Å; L24-P143 HydrophobicContact CD1-CG 4.06Å; L24-P143 HydrophobicContact CD2-CG 4.27Å
25L96.2Very high94.1Very high3 Ų350.3 Ų50.32%0.01626%0.261CS..Hα-helixtrans-62-54178.5174.362.3000111.3S21 R22 L28 L29 F48 T52 L57 L142S21-L25 WeakPolarHBondContact O-CB 3.01Å; S21-L25 PolarHBondContact O-N 3.27Å; R22-L25 PolarHBondContact O-N 2.99Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.98Å; L25-L29 HydrophobicContact CD1-CD1 4.11Å; L25-L29 HydrophobicContact CD1-CG 4.25Å; L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.28Å; L25-F48 HydrophobicContact CD1-CE1 4.17Å; L25-F48 HydrophobicContact CD2-CD1 4.02Å; L25-F48 HydrophobicContact CD2-CE1 3.99Å; L25-T52 HydrophobicContact CD2-CG2 3.77Å; L25-L57 HydrophobicContact CD2-CD2 4.38Å; L25-L142 HydrophobicContact CB-CD2 4.5Å; L25-L142 HydrophobicContact CD1-CD2 3.87Å
26F96.4Very high94.4Very high22 Ų2246.7 Ų46.710%0.09624%0.241CC..Hα-helixtrans-69.3-37.7-175.3-61.4-41.2000112.4R22 L28 L29 D30 T52 D56 L57 H60R22-F26 HydrophobicContact CB-CD2 4.28Å; R22-F26 HydrophobicContact CB-CE2 4.01Å; R22-F26 HydrophobicContact CG-CE2 4.31Å; R22-F26 WeakPolarHBondContact O-CD2 3.28Å; R22-F26 WeakPolarHBondContact O-CG 3.37Å; R22-F26 PolarHBondContact O-N 2.94Å; F26-L28 PolarHBondContact O-N 3.41Å; F26-L29 HydrophobicContact CD1-CD1 4.24Å; F26-L29 PolarHBondContact O-N 3.18Å; F26-L29 VanDerWaalsContact O-N 3.16Å; F26-D30 WeakPolarHBondContact O-CB 3.15Å; F26-D30 VanDerWaalsContact O-CG 3.27Å; F26-D30 PolarHBondContact O-N 2.96Å; F26-T52 WeakPolarHBondContact CZ-OG1 3.5Å; F26-D56 HydrophobicContact CE1-CB 4.46Å; F26-D56 HydrophobicContact CZ-CB 3.94Å; F26-L57 HydrophobicContact CE1-CD2 4.33Å; F26-H60 AromaticContact CD1-CD2 3.24Å; F26-H60 WeakPolarHBondContact CD1-CD2 3.46Å; F26-H60 AromaticContact CD1-CG 3.87Å; F26-H60 AromaticContact CD1-NE2 3.37Å; F26-H60 WeakPolarHBondContact CD1-NE2 3.45Å; F26-H60 AromaticContact CD2-NE2 3.82Å; F26-H60 AromaticContact CE1-CD2 3.58Å; F26-H60 AromaticContact CE1-NE2 3.89Å; F26-H60 AromaticContact CG-CD2 3.77Å; F26-H60 AromaticContact CG-CE1 3.81Å; F26-H60 AromaticContact CG-NE2 3.34Å; F26-H60 VanDerWaalsContact CG-NE2 3.34Å; F26-H60 WeakPolarHBondContact CG-NE2 3.46Å
27S96Very high94.6Very high84 Ų8446.5 Ų46.559%0.58724%0.24SC*.Hα-helixtrans-59.5-32.7172.9-179.70000112.6K23 R31K23-S27 WeakPolarHBondContact O-CB 3.46Å; K23-S27 PolarHBondContact O-N 2.93Å; S27-R31 PolarHBondContact O-N 2.7Å
28L95.4Very high94.7Very high10 Ų1046.4 Ų46.45%0.05224%0.24CC..Hα-helixtrans-74.2-46.9175.5-167.5164.1000110.4L24 L25 F26 D30 R31 I32 I114 E140 L142L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.95Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.98Å; F26-L28 PolarHBondContact O-N 3.41Å; L28-D30 VanDerWaalsContact C-N 3.34Å; L28-D30 PolarHBondContact O-N 3.28Å; L28-R31 WeakPolarHBondContact O-CB 3.31Å; L28-R31 PolarHBondContact O-N 2.85Å; L28-I32 HydrophobicContact CD2-CD1 3.77Å; L28-I114 HydrophobicContact CD1-CD1 4.11Å; L28-I114 HydrophobicContact CD1-CG1 4.37Å; L28-I114 HydrophobicContact CD1-CG2 3.93Å; L28-I114 HydrophobicContact CD2-CD1 3.24Å; L28-I114 HydrophobicContact CD2-CG1 4.01Å; L28-I114 HydrophobicContact CG-CD1 4.33Å; L28-E140 WeakPolarHBondContact CD2-OE2 3.43Å; L28-E140 WeakPolarHBondContact CG-OE2 3.3Å; L28-L142 HydrophobicContact CD1-CB 4.27Å; L28-L142 HydrophobicContact CD1-CD1 4.36Å
29L95.6Very high94.8Very high1 Ų142.9 Ų42.91%0.00523%0.225CC..Hα-helixtrans-60.3-41.5178.1-68.3178.8000112.2L25 F26 R31 I32 K36 L57 H60 V62 I82L25-L29 HydrophobicContact CD1-CD1 4.11Å; L25-L29 HydrophobicContact CD1-CG 4.25Å; L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.28Å; F26-L29 HydrophobicContact CD1-CD1 4.24Å; F26-L29 PolarHBondContact O-N 3.18Å; F26-L29 VanDerWaalsContact O-N 3.16Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.34Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-I32 VanDerWaalsContact O-N 3.08Å; L29-K36 HydrophobicContact CD2-CD 4.42Å; L29-K36 WeakPolarHBondContact O-CE 3.33Å; L29-L57 HydrophobicContact CD1-CD2 3.87Å; L29-H60 HydrophobicContact CB-CB 4.33Å; L29-H60 HydrophobicContact CD1-CB 4.32Å; L29-V62 HydrophobicContact CD1-CG2 4.46Å; L29-I82 HydrophobicContact CD2-CD1 3.67Å
30D95.5Very high94.9Very high95 Ų9539 Ų3951%0.50821%0.206SC..Hα-helixtrans-68.4-27.2179.8-70.8-24.1000113.1F26 L28 I32 H60F26-D30 WeakPolarHBondContact O-CB 3.15Å; F26-D30 VanDerWaalsContact O-CG 3.27Å; F26-D30 PolarHBondContact O-N 2.96Å; L28-D30 VanDerWaalsContact C-N 3.34Å; L28-D30 PolarHBondContact O-N 3.28Å; D30-I32 PolarHBondContact O-N 2.96Å; D30-H60 IonicContact OD1-CE1 3.57Å; D30-H60 IonicContact OD1-CG 2.76Å; D30-H60 IonicContact OD1-ND1 2.7Å; D30-H60 PolarHBondContact OD1-ND1 3.39Å; D30-H60 IonicContact OD2-CE1 2.98Å; D30-H60 PolarHBondContact OD2-CE1 3.14Å; D30-H60 IonicContact OD2-ND1 3.97Å; D30-H60 PolarHBondContact OD2-ND1 3.04Å
31R95.6Very high94.8Very high156 Ų15637.9 Ų37.959%0.58920%0.199SC*.Hα-helixtrans-66.8-27.4172.3-179.4172.663.5-175.2-7.9111.9S27 L28 L29 E140S27-R31 PolarHBondContact O-N 2.7Å; L28-R31 WeakPolarHBondContact O-CB 3.31Å; L28-R31 PolarHBondContact O-N 2.85Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.34Å; R31-E140 IonicContact CZ-OE1 3.27Å; R31-E140 IonicContact CZ-OE2 3.64Å; R31-E140 IonicContact NE-OE1 3.85Å; R31-E140 IonicContact NH2-OE1 3.71Å; R31-E140 PolarHBondContact NH2-OE1 2.87Å; R31-E140 IonicContact NH2-OE2 3.67Å; R31-E140 PolarHBondContact NH2-OE2 3Å
32I93.9Very high94.7Very high3 Ų340.9 Ų40.92%0.01522%0.224CC..SBendtrans-92105.9-179.7-59.2171.7000108.4L28 L29 D30 K36 T80 I82 Y112L28-I32 HydrophobicContact CD2-CD1 3.77Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-I32 VanDerWaalsContact O-N 3.08Å; D30-I32 PolarHBondContact O-N 2.96Å; I32-K36 WeakPolarHBondContact O-CE 3.47Å; I32-K36 PolarHBondContact O-NZ 3.49Å; I32-T80 HydrophobicContact CG2-CG2 3.48Å; I32-T80 VanDerWaalsContact CG2-CG2 3.48Å; I32-I82 HydrophobicContact CB-CD1 4.43Å; I32-I82 HydrophobicContact CD1-CD1 3.63Å; I32-I82 HydrophobicContact CD1-CG1 4.1Å; I32-I82 HydrophobicContact CG2-CD1 4.22Å; I32-Y112 HydrophobicContact CD1-CD1 3.61Å; I32-Y112 HydrophobicContact CD1-CD2 4.36Å; I32-Y112 HydrophobicContact CD1-CE1 4.12Å; I32-Y112 HydrophobicContact CD1-CG 3.79Å; I32-Y112 HydrophobicContact CG1-CD1 3.94Å; I32-Y112 HydrophobicContact CG1-CE1 3.91Å; I32-Y112 HydrophobicContact CG1-CG 4.41Å; I32-Y112 HydrophobicContact CG2-CD2 4.18Å; I32-Y112 HydrophobicContact CG2-CE2 3.93Å
33V90.7Very high94.5Very high123 Ų12341.6 Ų41.675%0.74523%0.232SC*.  trans-77.4143.8-174.5-177.10000111.5
34G89.5Confident94.4Very high26 Ų2635.9 Ų35.927%0.26821%0.207SC..SBendtrans102.4176.1171.400000113.5K36 Q61G34-K36 VanDerWaalsContact O-CG 3.28Å; G34-K36 WeakPolarHBondContact O-CG 3.33Å; G34-K36 PolarHBondContact O-NZ 3.29Å; G34-Q61 PolarHBondContact O-OE1 3.27Å
35S94.3Very high94.3Very high32 Ų3237 Ų3722%0.22421%0.211CC..  trans-67.1136.9175.81760000111E63 Q79 T80S35-E63 VanDerWaalsContact CB-OE1 3.3Å; S35-E63 WeakPolarHBondContact CB-OE1 3.38Å; S35-E63 PolarHBondContact OG-OE1 3.14Å; S35-Q79 PolarHBondContact OG-NE2 3Å; S35-Q79 VanDerWaalsContact OG-NE2 3.13Å; S35-T80 PolarHBondContact O-N 3.38Å
36K96.1Very high94.1Very high1 Ų140.3 Ų40.30%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-122.6137-166.9-51.2169.9-178.470.60111.9L29 I32 G34 H60 Q61 V62 E63 T80 I82L29-K36 HydrophobicContact CD2-CD 4.42Å; L29-K36 WeakPolarHBondContact O-CE 3.33Å; I32-K36 WeakPolarHBondContact O-CE 3.47Å; I32-K36 PolarHBondContact O-NZ 3.49Å; G34-K36 VanDerWaalsContact O-CG 3.28Å; G34-K36 WeakPolarHBondContact O-CG 3.33Å; G34-K36 PolarHBondContact O-NZ 3.29Å; K36-H60 PolarHBondContact NZ-O 2.87Å; K36-Q61 PolarHBondContact N-O 3.22Å; K36-V62 HydrophobicContact CB-CG2 4.32Å; K36-V62 HydrophobicContact CD-CG2 4.28Å; K36-E63 PolarHBondContact O-N 3.09Å; K36-T80 CarbonylContact C-O 3.51Å; K36-T80 VanDerWaalsContact CA-O 3.25Å; K36-T80 WeakPolarHBondContact CA-O 3.26Å; K36-I82 HydrophobicContact CB-CD1 4.42Å; K36-I82 HydrophobicContact CD-CD1 3.77Å; K36-I82 HydrophobicContact CG-CD1 4.25Å
37T95.9Very high94Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-103124.6157.9-74.40000109I39 H64 L66 V74 Q79 T80 V81 I82T37-I39 HydrophobicContact CG2-CG1 4.2Å; T37-H64 HydrophobicContact CG2-CB 4.14Å; T37-L66 HydrophobicContact CG2-CD1 3.71Å; T37-L66 HydrophobicContact CG2-CG 4.21Å; T37-V74 HydrophobicContact CG2-CG1 4.1Å; T37-Q79 PolarHBondContact OG1-OE1 3.48Å; T37-T80 PolarHBondContact N-O 3.05Å; T37-V81 WeakPolarHBondContact O-CA 3.42Å; T37-I82 PolarHBondContact O-N 3.06Å
38L95.7Very high94Very high2 Ų235.5 Ų35.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-103.1120.5179-16757.3000110.5W40 V62 H64 M65 L66 I82 L84L38-W40 HydrophobicContact CD2-CD2 4.41Å; L38-W40 HydrophobicContact CD2-CH2 3.96Å; L38-W40 HydrophobicContact CD2-CZ2 3.03Å; L38-W40 HydrophobicContact CG-CD2 4.29Å; L38-W40 VanDerWaalsContact CG-CE2 3.48Å; L38-W40 HydrophobicContact CG-CZ2 3.79Å; L38-V62 HydrophobicContact CB-CG1 3.9Å; L38-V62 HydrophobicContact CD2-CG1 4.43Å; L38-H64 PolarHBondContact N-O 3.01Å; L38-M65 HydrophobicContact CB-CG 4.47Å; L38-M65 CarbonylContact O-C 3.52Å; L38-M65 VanDerWaalsContact O-CA 3.28Å; L38-M65 WeakPolarHBondContact O-CA 3.44Å; L38-L66 PolarHBondContact O-N 3.45Å; L38-I82 CarbonylContact C-O 3.49Å; L38-I82 WeakPolarHBondContact CA-O 3.39Å; L38-I82 HydrophobicContact CD1-CB 3.59Å; L38-I82 HydrophobicContact CD1-CG2 3.42Å; L38-I82 VanDerWaalsContact CD1-CG2 3.42Å; L38-L84 HydrophobicContact CD1-CB 4.28Å
39I96.4Very high93.9Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-106.7120.5179.5-56.8178.3000108.5T37 L66 L68 V74 V81 I82 I83 L84 V98T37-I39 HydrophobicContact CG2-CG1 4.2Å; I39-L66 CarbonylContact C-O 3.21Å; I39-L66 VanDerWaalsContact CA-O 3.26Å; I39-L66 WeakPolarHBondContact CA-O 3.48Å; I39-L66 HydrophobicContact CG1-CB 4.34Å; I39-L68 HydrophobicContact CG2-CB 3.99Å; I39-L68 HydrophobicContact CG2-CD1 3.93Å; I39-V74 HydrophobicContact CD1-CG2 4.05Å; I39-V81 HydrophobicContact CD1-CG1 3.55Å; I39-V81 HydrophobicContact CG1-CG1 4.14Å; I39-I82 PolarHBondContact N-O 3.22Å; I39-I83 HydrophobicContact CB-CG1 4.28Å; I39-I83 HydrophobicContact CD1-CG1 4.37Å; I39-I83 CarbonylContact O-C 3.54Å; I39-I83 WeakPolarHBondContact O-CA 3.47Å; I39-L84 PolarHBondContact O-N 3.11Å; I39-V98 HydrophobicContact CD1-CG1 3.68Å; I39-V98 HydrophobicContact CD1-CG2 4.28Å
40W94.2Very high93.8Very high3 Ų341 Ų411%0.01123%0.225CC..EExtended strand (participates in β ladder)trans-111140.8-170.1-62.181.6000112.9L38 A42 L44 M45 F48 L57 M65 L66 L68 L84L38-W40 HydrophobicContact CD2-CD2 4.41Å; L38-W40 HydrophobicContact CD2-CH2 3.96Å; L38-W40 HydrophobicContact CD2-CZ2 3.03Å; L38-W40 HydrophobicContact CG-CD2 4.29Å; L38-W40 VanDerWaalsContact CG-CE2 3.48Å; L38-W40 HydrophobicContact CG-CZ2 3.79Å; W40-A42 PolarHBondContact O-N 3.33Å; W40-L44 HydrophobicContact CE3-CB 4.35Å; W40-M45 HydrophobicContact CB-CG 3.9Å; W40-M45 HydrophobicContact CG-CG 4.42Å; W40-F48 HydrophobicContact CH2-CB 3.98Å; W40-F48 AromaticContact CH2-CD1 3.76Å; W40-F48 HydrophobicContact CH2-CD1 3.76Å; W40-F48 HydrophobicContact CH2-CE1 4.42Å; W40-F48 AromaticContact CH2-CG 3.9Å; W40-F48 HydrophobicContact CH2-CG 3.9Å; W40-F48 HydrophobicContact CZ3-CB 3.68Å; W40-F48 AromaticContact CZ3-CD1 3.67Å; W40-F48 HydrophobicContact CZ3-CD1 3.67Å; W40-F48 AromaticContact CZ3-CD2 3.82Å; W40-F48 HydrophobicContact CZ3-CD2 3.82Å; W40-F48 HydrophobicContact CZ3-CE1 4.23Å; W40-F48 HydrophobicContact CZ3-CE2 4.35Å; W40-F48 AromaticContact CZ3-CG 3.43Å; W40-F48 HydrophobicContact CZ3-CG 3.43Å; W40-F48 VanDerWaalsContact CZ3-CG 3.43Å; W40-L57 HydrophobicContact CZ2-CD1 4.04Å; W40-M65 HydrophobicContact CZ2-CE 3.84Å; W40-M65 VanDerWaalsContact NE1-CE 3.3Å; W40-L66 PolarHBondContact N-O 3.13Å; W40-L68 WeakPolarHBondContact O-CB 3.48Å; W40-L68 PolarHBondContact O-N 3.11Å; W40-L84 HydrophobicContact CD2-CD2 4.32Å; W40-L84 HydrophobicContact CE3-CB 4.38Å; W40-L84 HydrophobicContact CE3-CD2 3.42Å; W40-L84 VanDerWaalsContact CE3-CD2 3.42Å; W40-L84 HydrophobicContact CE3-CG 4.41Å; W40-L84 HydrophobicContact CH2-CD2 3.76Å; W40-L84 HydrophobicContact CZ3-CD2 3.07Å; W40-L84 HydrophobicContact CZ3-CG 4.4Å
41D93.1Very high93.7Very high8 Ų836.7 Ų36.74%0.04320%0.202CC..  trans-57.6128.6153178.30.9000109.8D43 L44 M45 L84 V85 R86 H91D41-D43 PolarHBondContact O-N 3.48Å; D41-D43 PolarHBondContact OD1-N 2.93Å; D41-L44 HydrophobicContact CB-CB 4.35Å; D41-L44 HydrophobicContact CB-CD1 4.15Å; D41-L44 HydrophobicContact CB-CG 4.11Å; D41-L44 PolarHBondContact O-N 3.42Å; D41-M45 PolarHBondContact O-N 3.46Å; D41-L84 PolarHBondContact N-O 3.24Å; D41-V85 HydrophobicContact CB-CB 4.1Å; D41-V85 HydrophobicContact CB-CG1 4.07Å; D41-R86 PolarHBondContact OD2-N 2.98Å; D41-H91 IonicContact OD1-NE2 3.67Å; D41-H91 IonicContact OD2-CE1 3.23Å; D41-H91 PolarHBondContact OD2-CE1 3.4Å; D41-H91 IonicContact OD2-NE2 3.63Å
42A91.3Very high93.6Very high63 Ų6329.5 Ų29.552%0.52118%0.175SC..Hα-helixtrans-57.9-31.118000000112W40 L44 M45W40-A42 PolarHBondContact O-N 3.33Å; A42-L44 PolarHBondContact O-N 3.39Å; A42-M45 PolarHBondContact O-N 3.37Å
43D91.2Very high93.4Very high66 Ų6631 Ų3135%0.35319%0.191SC..Hα-helixtrans-73.5-13.2178-71-12.6000113.3D41 P47 R88D41-D43 PolarHBondContact O-N 3.48Å; D41-D43 PolarHBondContact OD1-N 2.93Å; D43-P47 WeakPolarHBondContact O-CD 3.4Å; D43-P47 WeakPolarHBondContact O-CG 3.02Å; D43-R88 IonicContact OD2-CZ 3.36Å; D43-R88 IonicContact OD2-NH1 3.46Å; D43-R88 PolarHBondContact OD2-NH1 3.18Å; D43-R88 IonicContact OD2-NH2 3.85Å
44L94.4Very high93.4Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-96.9-18.4176-69.9-178.3000113.5W40 D41 A42 P47 F48 L84 R86 V116W40-L44 HydrophobicContact CE3-CB 4.35Å; D41-L44 HydrophobicContact CB-CB 4.35Å; D41-L44 HydrophobicContact CB-CD1 4.15Å; D41-L44 HydrophobicContact CB-CG 4.11Å; D41-L44 PolarHBondContact O-N 3.42Å; A42-L44 PolarHBondContact O-N 3.39Å; L44-P47 WeakPolarHBondContact O-CD 3.46Å; L44-F48 HydrophobicContact CB-CD2 4.1Å; L44-F48 HydrophobicContact CB-CE2 4.35Å; L44-F48 HydrophobicContact CD1-CE2 4.43Å; L44-F48 HydrophobicContact CD2-CD2 4.43Å; L44-F48 HydrophobicContact CD2-CE2 4.12Å; L44-F48 WeakPolarHBondContact O-CB 3.3Å; L44-F48 VanDerWaalsContact O-CD2 3.32Å; L44-F48 WeakPolarHBondContact O-CD2 3.3Å; L44-F48 PolarHBondContact O-N 3.37Å; L44-L84 HydrophobicContact CD1-CD2 4.4Å; L44-L84 HydrophobicContact CD1-CG 4.25Å; L44-R86 HydrophobicContact CD1-CG 4.17Å; L44-R86 HydrophobicContact CD2-CG 3.72Å; L44-R86 VanDerWaalsContact CD2-NE 3.32Å; L44-R86 HydrophobicContact CG-CG 3.94Å; L44-V116 HydrophobicContact CD1-CB 4.06Å; L44-V116 HydrophobicContact CD1-CG2 3.88Å; L44-V116 HydrophobicContact CD2-CG1 4.49Å
45M92.5Very high93.5Very high79 Ų7936.3 Ų36.339%0.38920%0.197SC..Hα-helixtrans-58.7-55.2-175.1-66.6-177.767.800112.3W40 D41 A42 F48 D49W40-M45 HydrophobicContact CB-CG 3.9Å; W40-M45 HydrophobicContact CG-CG 4.42Å; D41-M45 PolarHBondContact O-N 3.46Å; A42-M45 PolarHBondContact O-N 3.37Å; M45-F48 PolarHBondContact O-N 3.05Å; M45-D49 PolarHBondContact O-N 2.93Å
46Q92Very high93.5Very high72 Ų7237.1 Ų37.134%0.33620%0.198SC..Hα-helixtrans-68.3-41.2-178.3-63-177.54.800113.5F48 D49 K256 C257Q46-F48 VanDerWaalsContact C-N 3.3Å; Q46-F48 PolarHBondContact O-N 3.48Å; Q46-D49 WeakPolarHBondContact O-CB 3.29Å; Q46-D49 PolarHBondContact O-N 2.81Å; Q46-K256 VanDerWaalsContact OE1-CE 3.24Å; Q46-C257 HydrophobicContact CB-CB 4.27Å
47P95.5Very high93.4Very high3 Ų337.2 Ų37.22%0.01920%0.199CC..Hα-helixtrans-59.1-39.1173-28.435.9000113.3D43 L44 D49 L50 F147 E157D43-P47 WeakPolarHBondContact O-CD 3.4Å; D43-P47 WeakPolarHBondContact O-CG 3.02Å; L44-P47 WeakPolarHBondContact O-CD 3.46Å; P47-D49 VanDerWaalsContact C-N 3.32Å; P47-D49 PolarHBondContact O-N 3.18Å; P47-L50 VanDerWaalsContact O-CB 3.31Å; P47-L50 WeakPolarHBondContact O-CB 3.2Å; P47-L50 PolarHBondContact O-N 3.13Å; P47-L50 VanDerWaalsContact O-N 3.17Å; P47-F147 HydrophobicContact CB-CD1 3.62Å; P47-F147 HydrophobicContact CB-CD2 3.79Å; P47-F147 HydrophobicContact CB-CE1 3.42Å; P47-F147 VanDerWaalsContact CB-CE1 3.42Å; P47-F147 HydrophobicContact CB-CE2 3.62Å; P47-F147 HydrophobicContact CB-CG 3.8Å; P47-F147 HydrophobicContact CB-CZ 3.43Å; P47-F147 VanDerWaalsContact CB-CZ 3.43Å; P47-F147 WeakPolarHBondContact O-CD1 3.44Å; P47-F147 WeakPolarHBondContact O-CE1 3.47Å; P47-E157 HydrophobicContact CB-CB 4.45Å; P47-E157 HydrophobicContact CB-CG 4.18Å; P47-E157 HydrophobicContact CG-CB 3.92Å; P47-E157 HydrophobicContact CG-CG 3.94Å
48F95.3Very high93.4Very high3 Ų341.6 Ų41.61%0.01322%0.22CC..Hα-helixtrans-71.9-22179.1-90-102000114L25 W40 L44 M45 Q46 L50 I51 T52 L84 V116 L142 F147L25-F48 HydrophobicContact CD1-CE1 4.17Å; L25-F48 HydrophobicContact CD2-CD1 4.02Å; L25-F48 HydrophobicContact CD2-CE1 3.99Å; W40-F48 HydrophobicContact CH2-CB 3.98Å; W40-F48 AromaticContact CH2-CD1 3.76Å; W40-F48 HydrophobicContact CH2-CD1 3.76Å; W40-F48 HydrophobicContact CH2-CE1 4.42Å; W40-F48 AromaticContact CH2-CG 3.9Å; W40-F48 HydrophobicContact CH2-CG 3.9Å; W40-F48 HydrophobicContact CZ3-CB 3.68Å; W40-F48 AromaticContact CZ3-CD1 3.67Å; W40-F48 HydrophobicContact CZ3-CD1 3.67Å; W40-F48 AromaticContact CZ3-CD2 3.82Å; W40-F48 HydrophobicContact CZ3-CD2 3.82Å; W40-F48 HydrophobicContact CZ3-CE1 4.23Å; W40-F48 HydrophobicContact CZ3-CE2 4.35Å; W40-F48 AromaticContact CZ3-CG 3.43Å; W40-F48 HydrophobicContact CZ3-CG 3.43Å; W40-F48 VanDerWaalsContact CZ3-CG 3.43Å; L44-F48 HydrophobicContact CB-CD2 4.1Å; L44-F48 HydrophobicContact CB-CE2 4.35Å; L44-F48 HydrophobicContact CD1-CE2 4.43Å; L44-F48 HydrophobicContact CD2-CD2 4.43Å; L44-F48 HydrophobicContact CD2-CE2 4.12Å; L44-F48 WeakPolarHBondContact O-CB 3.3Å; L44-F48 VanDerWaalsContact O-CD2 3.32Å; L44-F48 WeakPolarHBondContact O-CD2 3.3Å; L44-F48 PolarHBondContact O-N 3.37Å; M45-F48 PolarHBondContact O-N 3.05Å; Q46-F48 VanDerWaalsContact C-N 3.3Å; Q46-F48 PolarHBondContact O-N 3.48Å; F48-L50 PolarHBondContact O-N 3.23Å; F48-I51 HydrophobicContact CD1-CD1 4.21Å; F48-I51 HydrophobicContact CE1-CD1 4.27Å; F48-I51 HydrophobicContact CG-CD1 4.49Å; F48-I51 WeakPolarHBondContact O-CA 3.4Å; F48-I51 PolarHBondContact O-N 2.74Å; F48-T52 PolarHBondContact O-N 3.04Å; F48-L84 HydrophobicContact CE1-CD2 4.03Å; F48-L84 HydrophobicContact CE2-CD2 4.02Å; F48-L84 HydrophobicContact CZ-CD2 3.76Å; F48-V116 HydrophobicContact CE2-CG1 4.35Å; F48-V116 HydrophobicContact CE2-CG2 4.41Å; F48-V116 HydrophobicContact CZ-CG1 4.46Å; F48-V116 HydrophobicContact CZ-CG2 4.26Å; F48-L142 HydrophobicContact CE1-CD2 4.05Å; F48-L142 HydrophobicContact CZ-CD2 3.85Å; F48-F147 AromaticContact CD2-CE1 3.9Å; F48-F147 HydrophobicContact CD2-CE1 3.9Å; F48-F147 HydrophobicContact CD2-CZ 4.19Å; F48-F147 HydrophobicContact CE2-CE1 4.08Å; F48-F147 HydrophobicContact CE2-CZ 4.09Å; F48-F147 HydrophobicContact CG-CE1 4.49Å
49D93Very high93.3Very high94 Ų9447.8 Ų47.850%0.50325%0.253SS..Hα-helixtrans-58.5-26.5169.7-69.9-19.5000111.9M45 Q46 P47 I51 K282M45-D49 PolarHBondContact O-N 2.93Å; Q46-D49 WeakPolarHBondContact O-CB 3.29Å; Q46-D49 PolarHBondContact O-N 2.81Å; P47-D49 VanDerWaalsContact C-N 3.32Å; P47-D49 PolarHBondContact O-N 3.18Å; D49-I51 VanDerWaalsContact C-N 3.29Å; D49-K282 IonicContact OD2-NZ 3.86Å
50L93.4Very high93.2Very high33 Ų3349.5 Ų49.517%0.17326%0.261CS..THydrogen-bonded Turntrans-73.1-24.1175.3-63.2167.3000112.6K18 P47 F48 F147 L149 C257K18-L50 VanDerWaalsContact CD-O 3.23Å; K18-L50 WeakPolarHBondContact CD-O 3.45Å; K18-L50 WeakPolarHBondContact CE-O 3.44Å; K18-L50 PolarHBondContact NZ-O 3.43Å; P47-L50 VanDerWaalsContact O-CB 3.31Å; P47-L50 WeakPolarHBondContact O-CB 3.2Å; P47-L50 PolarHBondContact O-N 3.13Å; P47-L50 VanDerWaalsContact O-N 3.17Å; F48-L50 PolarHBondContact O-N 3.23Å; L50-F147 HydrophobicContact CD1-CB 3.79Å; L50-L149 HydrophobicContact CD1-CD2 3.51Å; L50-C257 HydrophobicContact CD1-CB 3.94Å; L50-C257 HydrophobicContact CG-CB 4.39Å
51I93.3Very high93.2Very high3 Ų354.2 Ų54.22%0.01528%0.283CS..THydrogen-bonded Turntrans-92.7-48.7-178.8-62171.8000109.7R22 F48 D49 V144 F147R22-I51 HydrophobicContact CB-CG2 4.25Å; R22-I51 WeakPolarHBondContact CD-O 3.38Å; R22-I51 HydrophobicContact CG-CG2 3.49Å; R22-I51 VanDerWaalsContact CG-CG2 3.49Å; R22-I51 WeakPolarHBondContact CG-O 3.25Å; R22-I51 PolarHBondContact NH1-O 3.45Å; F48-I51 HydrophobicContact CD1-CD1 4.21Å; F48-I51 HydrophobicContact CE1-CD1 4.27Å; F48-I51 HydrophobicContact CG-CD1 4.49Å; F48-I51 WeakPolarHBondContact O-CA 3.4Å; F48-I51 PolarHBondContact O-N 2.74Å; D49-I51 VanDerWaalsContact C-N 3.29Å; I51-V144 HydrophobicContact CD1-CG1 3.62Å; I51-F147 HydrophobicContact CD1-CD1 3.58Å; I51-F147 HydrophobicContact CD1-CE1 3.44Å; I51-F147 VanDerWaalsContact CD1-CE1 3.44Å; I51-F147 HydrophobicContact CG1-CD1 3.98Å; I51-F147 HydrophobicContact CG1-CE1 4.3Å
52T93.8Very high93.3Very high6 Ų653.9 Ų53.94%0.03728%0.281CS..  trans-145.2148.7-167.9-173.70000113L25 F26 F48 D56 L57L25-T52 HydrophobicContact CD2-CG2 3.77Å; F26-T52 WeakPolarHBondContact CZ-OG1 3.5Å; F48-T52 PolarHBondContact O-N 3.04Å; T52-D56 WeakPolarHBondContact OG1-CB 3.34Å; T52-L57 HydrophobicContact CG2-CD1 4.23Å; T52-L57 HydrophobicContact CG2-CD2 4.11Å; T52-L57 HydrophobicContact CG2-CG 4.11Å
53G90.9Very high93.5Very high33 Ų3355.7 Ų55.734%0.3428%0.279SS..  trans-95170170.200000112.8K55 D56 L57G53-K55 VanDerWaalsContact C-N 3.33Å; G53-K55 PolarHBondContact O-N 2.81Å; G53-D56 PolarHBondContact N-OD2 2.88Å; G53-D56 PolarHBondContact O-N 3.32Å; G53-L57 PolarHBondContact O-N 3.26Å
54F89.1Confident93.6Very high102 Ų10255.6 Ų55.645%0.44728%0.276SS..Hα-helixtrans-59.6-42.1175.4-178.1-112.9000112.5D56 L57 Q58 M65F54-D56 PolarHBondContact O-N 3.49Å; F54-L57 WeakPolarHBondContact O-CB 3.34Å; F54-L57 PolarHBondContact O-N 2.9Å; F54-Q58 HydrophobicContact CD1-CG 4.21Å; F54-Q58 HydrophobicContact CE1-CG 3.86Å; F54-Q58 HydrophobicContact CE2-CG 4.36Å; F54-Q58 HydrophobicContact CZ-CG 3.94Å; F54-Q58 WeakPolarHBondContact O-CG 3.39Å; F54-Q58 PolarHBondContact O-N 2.84Å; F54-M65 HydrophobicContact CD2-SD 3.52Å; F54-M65 VanDerWaalsContact CD2-SD 3.52Å; F54-M65 HydrophobicContact CE2-CG 4.36Å; F54-M65 HydrophobicContact CE2-SD 3.88Å
55K92.5Very high93.5Very high160 Ų16058.8 Ų58.870%0.69629%0.292SS*.Hα-helixtrans-60.1-47.4178.9-68.9-173.2177.5-176.60111.8G53 L57 Q58 D59G53-K55 VanDerWaalsContact C-N 3.33Å; G53-K55 PolarHBondContact O-N 2.81Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 2.83Å; K55-Q58 WeakPolarHBondContact O-CB 3.48Å; K55-Q58 PolarHBondContact O-N 2.85Å; K55-D59 PolarHBondContact O-N 3.49Å; K55-D59 VanDerWaalsContact O-N 3.1Å
56D94Very high93.6Very high48 Ų4856.7 Ų56.726%0.25728%0.282SS..Hα-helixtrans-56.1-43.5176.2-57.3-4.4000110.9R22 F26 T52 G53 F54 Q58 D59 H60R22-D56 IonicContact CZ-OD2 3.28Å; R22-D56 IonicContact NH1-OD2 2.98Å; R22-D56 PolarHBondContact NH1-OD2 3.37Å; R22-D56 IonicContact NH2-OD2 2.69Å; R22-D56 PolarHBondContact NH2-OD2 3.14Å; F26-D56 HydrophobicContact CE1-CB 4.46Å; F26-D56 HydrophobicContact CZ-CB 3.94Å; T52-D56 WeakPolarHBondContact OG1-CB 3.34Å; G53-D56 PolarHBondContact N-OD2 2.88Å; G53-D56 PolarHBondContact O-N 3.32Å; F54-D56 PolarHBondContact O-N 3.49Å; D56-Q58 VanDerWaalsContact C-N 3.34Å; D56-Q58 PolarHBondContact O-N 3.32Å; D56-D59 WeakPolarHBondContact O-CB 3.26Å; D56-D59 PolarHBondContact O-N 2.99Å; D56-H60 PolarHBondContact O-CD2 2.85Å
57L94.7Very high93.7Very high4 Ų456.1 Ų56.12%0.02129%0.285CS..Hα-helixtrans-64.5-36.4177.2-68.6170.1000112.7L25 F26 L29 W40 T52 G53 F54 K55 D59 H60 V62 M65L25-L57 HydrophobicContact CD2-CD2 4.38Å; F26-L57 HydrophobicContact CE1-CD2 4.33Å; L29-L57 HydrophobicContact CD1-CD2 3.87Å; W40-L57 HydrophobicContact CZ2-CD1 4.04Å; T52-L57 HydrophobicContact CG2-CD1 4.23Å; T52-L57 HydrophobicContact CG2-CD2 4.11Å; T52-L57 HydrophobicContact CG2-CG 4.11Å; G53-L57 PolarHBondContact O-N 3.26Å; F54-L57 WeakPolarHBondContact O-CB 3.34Å; F54-L57 PolarHBondContact O-N 2.9Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 2.83Å; L57-D59 VanDerWaalsContact C-N 3.3Å; L57-D59 PolarHBondContact O-N 2.97Å; L57-H60 CarbonylContact O-C 3.6Å; L57-H60 WeakPolarHBondContact O-CA 3.44Å; L57-H60 PolarHBondContact O-N 2.76Å; L57-H60 VanDerWaalsContact O-N 3.1Å; L57-V62 HydrophobicContact CB-CB 4.1Å; L57-V62 HydrophobicContact CB-CG2 4.26Å; L57-V62 VanDerWaalsContact O-CB 3.3Å; L57-V62 WeakPolarHBondContact O-CB 3.45Å; L57-V62 WeakPolarHBondContact O-CG2 3.39Å; L57-V62 PolarHBondContact O-N 3.45Å; L57-V62 VanDerWaalsContact O-N 3.15Å; L57-M65 HydrophobicContact CD1-CE 3.97Å; L57-M65 HydrophobicContact CD1-SD 3.72Å
58Q94.5Very high93.7Very high92 Ų9257.3 Ų57.343%0.4329%0.291SS..Hα-helixtrans-63.2-37175.6-69.2-175.7-58.100111.9F54 K55 D56 H60 Q61F54-Q58 HydrophobicContact CD1-CG 4.21Å; F54-Q58 HydrophobicContact CE1-CG 3.86Å; F54-Q58 HydrophobicContact CE2-CG 4.36Å; F54-Q58 HydrophobicContact CZ-CG 3.94Å; F54-Q58 WeakPolarHBondContact O-CG 3.39Å; F54-Q58 PolarHBondContact O-N 2.84Å; K55-Q58 WeakPolarHBondContact O-CB 3.48Å; K55-Q58 PolarHBondContact O-N 2.85Å; D56-Q58 VanDerWaalsContact C-N 3.34Å; D56-Q58 PolarHBondContact O-N 3.32Å; Q58-H60 PolarHBondContact O-N 2.74Å; Q58-H60 VanDerWaalsContact O-N 3.17Å; Q58-Q61 PolarHBondContact O-N 2.96Å
59D94.5Very high93.7Very high132 Ų13263 Ų6371%0.70632%0.315SS*.Hα-helixtrans-61.4-23.9175.4-63.8-24000111.9K55 D56 L57K55-D59 PolarHBondContact O-N 3.49Å; K55-D59 VanDerWaalsContact O-N 3.1Å; D56-D59 WeakPolarHBondContact O-CB 3.26Å; D56-D59 PolarHBondContact O-N 2.99Å; L57-D59 VanDerWaalsContact C-N 3.3Å; L57-D59 PolarHBondContact O-N 2.97Å
60H95.1Very high93.6Very high36 Ų3663.4 Ų63.417%0.16732%0.321CS..THydrogen-bonded Turntrans-96.523.8173.8-64.9-79.4000113.7F26 L29 D30 K36 D56 L57 Q58 V62F26-H60 AromaticContact CD1-CD2 3.24Å; F26-H60 WeakPolarHBondContact CD1-CD2 3.46Å; F26-H60 AromaticContact CD1-CG 3.87Å; F26-H60 AromaticContact CD1-NE2 3.37Å; F26-H60 WeakPolarHBondContact CD1-NE2 3.45Å; F26-H60 AromaticContact CD2-NE2 3.82Å; F26-H60 AromaticContact CE1-CD2 3.58Å; F26-H60 AromaticContact CE1-NE2 3.89Å; F26-H60 AromaticContact CG-CD2 3.77Å; F26-H60 AromaticContact CG-CE1 3.81Å; F26-H60 AromaticContact CG-NE2 3.34Å; F26-H60 VanDerWaalsContact CG-NE2 3.34Å; F26-H60 WeakPolarHBondContact CG-NE2 3.46Å; L29-H60 HydrophobicContact CB-CB 4.33Å; L29-H60 HydrophobicContact CD1-CB 4.32Å; D30-H60 IonicContact OD1-CE1 3.57Å; D30-H60 IonicContact OD1-CG 2.76Å; D30-H60 IonicContact OD1-ND1 2.7Å; D30-H60 PolarHBondContact OD1-ND1 3.39Å; D30-H60 IonicContact OD2-CE1 2.98Å; D30-H60 PolarHBondContact OD2-CE1 3.14Å; D30-H60 IonicContact OD2-ND1 3.97Å; D30-H60 PolarHBondContact OD2-ND1 3.04Å; K36-H60 PolarHBondContact NZ-O 2.87Å; D56-H60 PolarHBondContact O-CD2 2.85Å; L57-H60 CarbonylContact O-C 3.6Å; L57-H60 WeakPolarHBondContact O-CA 3.44Å; L57-H60 PolarHBondContact O-N 2.76Å; L57-H60 VanDerWaalsContact O-N 3.1Å; Q58-H60 PolarHBondContact O-N 2.74Å; Q58-H60 VanDerWaalsContact O-N 3.17Å; H60-V62 PolarHBondContact O-N 3.45Å
61Q94.2Very high93.5Very high101 Ų10164.2 Ų64.247%0.47234%0.338SS..THydrogen-bonded Turntrans65.927.5176.2-47.6173.6-33.500114.7G34 K36 Q58G34-Q61 PolarHBondContact O-OE1 3.27Å; K36-Q61 PolarHBondContact N-O 3.22Å; Q58-Q61 PolarHBondContact O-N 2.96Å
62V94.7Very high93.3Very high1 Ų164.8 Ų64.81%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-86.6111.7170.2-177.80000109.5L29 K36 L38 L57 H60 M65L29-V62 HydrophobicContact CD1-CG2 4.46Å; K36-V62 HydrophobicContact CB-CG2 4.32Å; K36-V62 HydrophobicContact CD-CG2 4.28Å; L38-V62 HydrophobicContact CB-CG1 3.9Å; L38-V62 HydrophobicContact CD2-CG1 4.43Å; L57-V62 HydrophobicContact CB-CB 4.1Å; L57-V62 HydrophobicContact CB-CG2 4.26Å; L57-V62 VanDerWaalsContact O-CB 3.3Å; L57-V62 WeakPolarHBondContact O-CB 3.45Å; L57-V62 WeakPolarHBondContact O-CG2 3.39Å; L57-V62 PolarHBondContact O-N 3.45Å; L57-V62 VanDerWaalsContact O-N 3.15Å; H60-V62 PolarHBondContact O-N 3.45Å; V62-M65 HydrophobicContact CG1-CG 4.11Å
63E94.2Very high93Very high102 Ų10270.1 Ų70.148%0.47737%0.374SS..EExtended strand (participates in β ladder)trans-95-32.9-178.7-71.6-177.7-150.700112.9S35 K36 Q79S35-E63 VanDerWaalsContact CB-OE1 3.3Å; S35-E63 WeakPolarHBondContact CB-OE1 3.38Å; S35-E63 PolarHBondContact OG-OE1 3.14Å; K36-E63 PolarHBondContact O-N 3.09Å; E63-Q79 PolarHBondContact OE2-NE2 3.5Å
64H93.3Very high92.9Very high64 Ų6469.5 Ų69.530%0.29636%0.364SS..EExtended strand (participates in β ladder)trans-131.5140.8-176.8-58.6-45.8000111.4T37 L38 Q79T37-H64 HydrophobicContact CG2-CB 4.14Å; L38-H64 PolarHBondContact N-O 3.01Å; H64-Q79 PolarHBondContact CD2-OE1 3.28Å
65M93.1Very high92.9Very high66 Ų6668.5 Ų68.533%0.32537%0.367SS..EExtended strand (participates in β ladder)trans-123.2125.6171.8-70.9174.466.200109.3L38 W40 F54 L57 V62L38-M65 HydrophobicContact CB-CG 4.47Å; L38-M65 CarbonylContact O-C 3.52Å; L38-M65 VanDerWaalsContact O-CA 3.28Å; L38-M65 WeakPolarHBondContact O-CA 3.44Å; W40-M65 HydrophobicContact CZ2-CE 3.84Å; W40-M65 VanDerWaalsContact NE1-CE 3.3Å; F54-M65 HydrophobicContact CD2-SD 3.52Å; F54-M65 VanDerWaalsContact CD2-SD 3.52Å; F54-M65 HydrophobicContact CE2-CG 4.36Å; F54-M65 HydrophobicContact CE2-SD 3.88Å; L57-M65 HydrophobicContact CD1-CE 3.97Å; L57-M65 HydrophobicContact CD1-SD 3.72Å; V62-M65 HydrophobicContact CG1-CG 4.11Å
66L94.4Very high92.5Very high35 Ų3563.6 Ų63.618%0.18335%0.349CS..EExtended strand (participates in β ladder)trans-129.2146.3-176.4-55.8171.5000110.4T37 L38 I39 W40T37-L66 HydrophobicContact CG2-CD1 3.71Å; T37-L66 HydrophobicContact CG2-CG 4.21Å; L38-L66 PolarHBondContact O-N 3.45Å; I39-L66 CarbonylContact C-O 3.21Å; I39-L66 VanDerWaalsContact CA-O 3.26Å; I39-L66 WeakPolarHBondContact CA-O 3.48Å; I39-L66 HydrophobicContact CG1-CB 4.34Å; W40-L66 PolarHBondContact N-O 3.13Å
67P94.7Very high91.7Very high61 Ų6163.7 Ų63.740%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-75.3143.5169.431-33.7000110.8K69P67-K69 PolarHBondContact O-N 2.74Å
68L95.6Very high91.1Very high28 Ų2871.4 Ų71.415%0.14739%0.386CS..  trans-68.4117.4171.9-17872.5000109.6I39 W40 I83 V85 H91 A94 I95 V98I39-L68 HydrophobicContact CG2-CB 3.99Å; I39-L68 HydrophobicContact CG2-CD1 3.93Å; W40-L68 WeakPolarHBondContact O-CB 3.48Å; W40-L68 PolarHBondContact O-N 3.11Å; L68-I83 HydrophobicContact CD1-CG2 4.31Å; L68-V85 HydrophobicContact CD2-CG1 3.72Å; L68-H91 HydrophobicContact CD2-CB 3.99Å; L68-A94 HydrophobicContact CD1-CB 3.9Å; L68-A94 HydrophobicContact CD2-CB 4.03Å; L68-A94 HydrophobicContact CG-CB 3.69Å; L68-I95 HydrophobicContact CD1-CG1 4.38Å; L68-I95 HydrophobicContact CD2-CG1 4.36Å; L68-V98 HydrophobicContact CD1-CG2 4.36Å
69K93.9Very high90.8Very high121 Ų12167.5 Ų67.553%0.52637%0.367SS..  trans-149.5155.3173.361.4-178.1-178.9-179.60110.5P67 G71 C72P67-K69 PolarHBondContact O-N 2.74Å; K69-G71 PolarHBondContact O-N 3.39Å; K69-C72 HydrophobicContact CG-CB 3.86Å; K69-C72 VanDerWaalsContact O-CB 3.24Å; K69-C72 WeakPolarHBondContact O-CB 3.47Å; K69-C72 PolarHBondContact O-N 3Å; K69-C72 VanDerWaalsContact O-N 3.14Å
70V92.7Very high90.8Very high104 Ų10461.8 Ų61.863%0.6334%0.337SS*.THydrogen-bonded Turntrans-61.2133.6168.7-179.70000108.4C72 A94V70-C72 VanDerWaalsContact C-N 3.33Å; V70-A94 HydrophobicContact CG2-CB 4.15Å
71G90Very high90.8Very high50 Ų5060.1 Ų60.152%0.51533%0.33SS..THydrogen-bonded Turntrans76.213.1-175.300000115.2K69 T73 S97K69-G71 PolarHBondContact O-N 3.39Å; G71-T73 PolarHBondContact O-N 3.28Å; G71-S97 PolarHBondContact N-OG 2.94Å
72C89.3Confident91Very high15 Ų1555.3 Ų55.310%0.10131%0.307CS..  trans-58.8124.4171.8-176.70000110.8K69 V70 V98K69-C72 HydrophobicContact CG-CB 3.86Å; K69-C72 VanDerWaalsContact O-CB 3.24Å; K69-C72 WeakPolarHBondContact O-CB 3.47Å; K69-C72 PolarHBondContact O-N 3Å; K69-C72 VanDerWaalsContact O-N 3.14Å; V70-C72 VanDerWaalsContact C-N 3.33Å; C72-V98 HydrophobicContact CB-CG2 3.92Å
73T87.4Confident91.1Very high117 Ų11755.2 Ų55.272%0.71831%0.307SS*.  trans-104.1126.1178.152.40000109.9G71G71-T73 PolarHBondContact O-N 3.28Å
74V89.3Confident91.2Very high20 Ų2050.5 Ų50.512%0.12129%0.285CS..  trans-81126.5175.9176.70000109.2T37 I39 D76 V81 L102T37-V74 HydrophobicContact CG2-CG1 4.1Å; I39-V74 HydrophobicContact CD1-CG2 4.05Å; V74-D76 WeakPolarHBondContact CG1-O 3.08Å; V74-D76 PolarHBondContact O-N 2.69Å; V74-V81 HydrophobicContact CG1-CG2 4.03Å; V74-V81 HydrophobicContact CG2-CG1 4.5Å; V74-V81 HydrophobicContact CG2-CG2 4.01Å; V74-L102 HydrophobicContact CB-CD2 3.97Å; V74-L102 HydrophobicContact CG2-CD2 3.86Å
75P88.1Confident91.4Very high81 Ų8147.4 Ų47.453%0.52627%0.27SS..SBendtrans-57-45.5-176.5-27.333.4000113.9
76D85.8Confident91.5Very high57 Ų5745 Ų4531%0.30526%0.257SS..  trans-118.6106.5175.2-176.12.1000110.8V74 K78 Q79V74-D76 WeakPolarHBondContact CG1-O 3.08Å; V74-D76 PolarHBondContact O-N 2.69Å; D76-K78 PolarHBondContact O-N 2.72Å; D76-K78 VanDerWaalsContact O-N 3.13Å; D76-K78 VanDerWaalsContact OD1-CB 3.29Å; D76-K78 WeakPolarHBondContact OD1-CB 2.87Å; D76-K78 PolarHBondContact OD1-N 3.36Å; D76-Q79 HydrophobicContact CB-CG 3.9Å; D76-Q79 PolarHBondContact O-N 3.2Å; D76-Q79 VanDerWaalsContact O-N 3.16Å
77P77.2Confident91.5Very high51 Ų5144.6 Ų44.633%0.33126%0.257SS..THydrogen-bonded Turntrans-67.4-8.5178.328.2-34.5000114R106P77-R106 WeakPolarHBondContact O-CD 3.42Å
78K81.5Confident91.4Very high166 Ų16645.4 Ų45.472%0.72225%0.252SS*.THydrogen-bonded Turntrans-81.2-19.2173.8-62.9-178.7-179.6176.90113D76 R106D76-K78 PolarHBondContact O-N 2.72Å; D76-K78 VanDerWaalsContact O-N 3.13Å; D76-K78 VanDerWaalsContact OD1-CB 3.29Å; D76-K78 WeakPolarHBondContact OD1-CB 2.87Å; D76-K78 PolarHBondContact OD1-N 3.36Å; K78-R106 VanDerWaalsContact C-NH1 3.29Å; K78-R106 PolarHBondContact O-NH1 3.17Å
79Q88.2Confident91.3Very high9 Ų948.4 Ų48.44%0.04227%0.268CS..SBendtrans-71.9154.2178.4-70178.4-12.400111.7S35 T37 E63 H64 D76S35-Q79 PolarHBondContact OG-NE2 3Å; S35-Q79 VanDerWaalsContact OG-NE2 3.13Å; T37-Q79 PolarHBondContact OG1-OE1 3.48Å; E63-Q79 PolarHBondContact OE2-NE2 3.5Å; H64-Q79 PolarHBondContact CD2-OE1 3.28Å; D76-Q79 HydrophobicContact CB-CG 3.9Å; D76-Q79 PolarHBondContact O-N 3.2Å; D76-Q79 VanDerWaalsContact O-N 3.16Å
80T94.5Very high91.2Very high12 Ų1247.1 Ų47.17%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-72.5127.5169.5-61.80000108.8I32 S35 K36 T37 I82 Q110 Y112I32-T80 HydrophobicContact CG2-CG2 3.48Å; I32-T80 VanDerWaalsContact CG2-CG2 3.48Å; S35-T80 PolarHBondContact O-N 3.38Å; K36-T80 CarbonylContact C-O 3.51Å; K36-T80 VanDerWaalsContact CA-O 3.25Å; K36-T80 WeakPolarHBondContact CA-O 3.26Å; T37-T80 PolarHBondContact N-O 3.05Å; T80-I82 HydrophobicContact CG2-CG1 4.49Å; T80-Q110 HydrophobicContact CG2-CB 4.07Å; T80-Y112 HydrophobicContact CG2-CD2 3.65Å; T80-Y112 HydrophobicContact CG2-CE2 3.62Å
81V95.5Very high91.3Very high1 Ų143.1 Ų43.11%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-98.8127.5-179.4179.60000109.5T37 I39 V74 I83 L102 Q110 C111 Y112T37-V81 WeakPolarHBondContact O-CA 3.42Å; I39-V81 HydrophobicContact CD1-CG1 3.55Å; I39-V81 HydrophobicContact CG1-CG1 4.14Å; V74-V81 HydrophobicContact CG1-CG2 4.03Å; V74-V81 HydrophobicContact CG2-CG1 4.5Å; V74-V81 HydrophobicContact CG2-CG2 4.01Å; V81-I83 HydrophobicContact CG1-CG1 4.27Å; V81-L102 HydrophobicContact CB-CD1 3.96Å; V81-L102 HydrophobicContact CG1-CD1 4.05Å; V81-L102 HydrophobicContact CG2-CD1 3.71Å; V81-L102 HydrophobicContact CG2-CD2 4.12Å; V81-Q110 PolarHBondContact N-O 3.08Å; V81-C111 CarbonylContact O-C 3.6Å; V81-C111 VanDerWaalsContact O-CA 3.29Å; V81-C111 WeakPolarHBondContact O-CA 3.28Å; V81-Y112 PolarHBondContact O-N 3.42Å
82I96.9Very high91.6Very high0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-117120.1176.2-59.2178.3000108L29 I32 K36 T37 L38 I39 T80 I114L29-I82 HydrophobicContact CD2-CD1 3.67Å; I32-I82 HydrophobicContact CB-CD1 4.43Å; I32-I82 HydrophobicContact CD1-CD1 3.63Å; I32-I82 HydrophobicContact CD1-CG1 4.1Å; I32-I82 HydrophobicContact CG2-CD1 4.22Å; K36-I82 HydrophobicContact CB-CD1 4.42Å; K36-I82 HydrophobicContact CD-CD1 3.77Å; K36-I82 HydrophobicContact CG-CD1 4.25Å; T37-I82 PolarHBondContact O-N 3.06Å; L38-I82 CarbonylContact C-O 3.49Å; L38-I82 WeakPolarHBondContact CA-O 3.39Å; L38-I82 HydrophobicContact CD1-CB 3.59Å; L38-I82 HydrophobicContact CD1-CG2 3.42Å; L38-I82 VanDerWaalsContact CD1-CG2 3.42Å; I39-I82 PolarHBondContact N-O 3.22Å; T80-I82 HydrophobicContact CG2-CG1 4.49Å; I82-I114 HydrophobicContact CG2-CD1 3.23Å; I82-I114 HydrophobicContact CG2-CG1 3.93Å
83I97.3Very high92Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-101.4110.2176.3-58.2173000107.9I39 L68 V81 V85 I95 V98 V99 Y112 L113 I114I39-I83 HydrophobicContact CB-CG1 4.28Å; I39-I83 HydrophobicContact CD1-CG1 4.37Å; I39-I83 CarbonylContact O-C 3.54Å; I39-I83 WeakPolarHBondContact O-CA 3.47Å; L68-I83 HydrophobicContact CD1-CG2 4.31Å; V81-I83 HydrophobicContact CG1-CG1 4.27Å; I83-V85 HydrophobicContact CG2-CG1 3.68Å; I83-I95 HydrophobicContact CD1-CG2 4.27Å; I83-I95 HydrophobicContact CG2-CG1 4.24Å; I83-V98 HydrophobicContact CD1-CB 4.29Å; I83-V98 HydrophobicContact CD1-CG1 3.94Å; I83-V99 HydrophobicContact CD1-CG2 4.42Å; I83-Y112 PolarHBondContact N-O 2.91Å; I83-L113 HydrophobicContact CB-CD1 4.04Å; I83-L113 HydrophobicContact CG2-CD1 3.83Å; I83-I114 PolarHBondContact O-N 2.99Å
84L97Very high92.4Very high2 Ų238 Ų381%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-105.4113.7179.1-17078.8000110.4L38 I39 W40 D41 L44 F48 I114 V116 L142L38-L84 HydrophobicContact CD1-CB 4.28Å; I39-L84 PolarHBondContact O-N 3.11Å; W40-L84 HydrophobicContact CD2-CD2 4.32Å; W40-L84 HydrophobicContact CE3-CB 4.38Å; W40-L84 HydrophobicContact CE3-CD2 3.42Å; W40-L84 VanDerWaalsContact CE3-CD2 3.42Å; W40-L84 HydrophobicContact CE3-CG 4.41Å; W40-L84 HydrophobicContact CH2-CD2 3.76Å; W40-L84 HydrophobicContact CZ3-CD2 3.07Å; W40-L84 HydrophobicContact CZ3-CG 4.4Å; D41-L84 PolarHBondContact N-O 3.24Å; L44-L84 HydrophobicContact CD1-CD2 4.4Å; L44-L84 HydrophobicContact CD1-CG 4.25Å; F48-L84 HydrophobicContact CE1-CD2 4.03Å; F48-L84 HydrophobicContact CE2-CD2 4.02Å; F48-L84 HydrophobicContact CZ-CD2 3.76Å; L84-I114 WeakPolarHBondContact CA-O 3.28Å; L84-I114 HydrophobicContact CD1-CB 3.52Å; L84-I114 HydrophobicContact CD1-CD1 4.23Å; L84-I114 HydrophobicContact CD1-CG2 3.35Å; L84-V116 HydrophobicContact CD1-CG2 3.51Å; L84-V116 HydrophobicContact CD2-CG2 4.28Å; L84-V116 HydrophobicContact CG-CG2 3.82Å; L84-L142 HydrophobicContact CD1-CD2 4.02Å
85V97.2Very high92.8Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-143.4155.9-172.8-59.30000113D41 L68 I83 I95 L113 I114 L115 V116D41-V85 HydrophobicContact CB-CB 4.1Å; D41-V85 HydrophobicContact CB-CG1 4.07Å; L68-V85 HydrophobicContact CD2-CG1 3.72Å; I83-V85 HydrophobicContact CG2-CG1 3.68Å; V85-I95 HydrophobicContact CG2-CD1 4.25Å; V85-L113 HydrophobicContact CG2-CD1 3.78Å; V85-I114 PolarHBondContact N-O 3.36Å; V85-L115 HydrophobicContact CG2-CD2 3.55Å; V85-L115 WeakPolarHBondContact O-CA 3.33Å; V85-V116 PolarHBondContact O-N 3.13Å
86R95.3Very high93.2Very high14 Ų1433.4 Ų33.45%0.05318%0.184CC..  trans-68.4148.9162-67.1178.8-177.4-124-4.6110.1D41 L44 R88 H91 M156 E157 I158D41-R86 PolarHBondContact OD2-N 2.98Å; L44-R86 HydrophobicContact CD1-CG 4.17Å; L44-R86 HydrophobicContact CD2-CG 3.72Å; L44-R86 VanDerWaalsContact CD2-NE 3.32Å; L44-R86 HydrophobicContact CG-CG 3.94Å; R86-R88 HydrophobicContact CB-CG 4.25Å; R86-R88 PolarHBondContact O-N 3.42Å; R86-H91 PolarHBondContact O-CE1 2.82Å; R86-H91 PolarHBondContact O-ND1 3.42Å; R86-M156 PolarHBondContact NH2-O 3.24Å; R86-E157 PolarHBondContact NH1-O 3.16Å; R86-E157 PolarHBondContact NH2-O 2.99Å; R86-I158 VanDerWaalsContact NH1-CG1 3.34Å
87P94.1Very high93.7Very high27 Ų2732.4 Ų32.418%0.17518%0.182CC..SBendtrans-76.755.8-175.532.5-38.7000113.6V116P87-V116 WeakPolarHBondContact CD-O 3.42Å
88R92.3Very high94.5Very high78 Ų7830 Ų3029%0.29417%0.166SC..  trans-102.6144.9-178.5-60.5179179163.5-2.7111.9D43 R86 C90 H91D43-R88 IonicContact OD2-CZ 3.36Å; D43-R88 IonicContact OD2-NH1 3.46Å; D43-R88 PolarHBondContact OD2-NH1 3.18Å; D43-R88 IonicContact OD2-NH2 3.85Å; R86-R88 HydrophobicContact CB-CG 4.25Å; R86-R88 PolarHBondContact O-N 3.42Å; R88-C90 VanDerWaalsContact C-N 3.3Å; R88-C90 VanDerWaalsContact CB-SG 3.57Å; R88-C90 PolarHBondContact O-N 3.23Å; R88-H91 PolarHBondContact O-N 3.44Å
89L93Very high95.1Very high92 Ų9222.1 Ų22.148%0.48213%0.132SC..G310 helixtrans-65.8-30.2179.6-76174.7000113.4H91 A92 L122 K126L89-H91 PolarHBondContact O-N 3.08Å; L89-A92 VanDerWaalsContact O-CB 3.28Å; L89-A92 WeakPolarHBondContact O-CB 3.27Å; L89-A92 PolarHBondContact O-N 2.97Å; L89-A92 VanDerWaalsContact O-N 3.07Å; L89-L122 HydrophobicContact CD1-CB 4.46Å; L89-L122 HydrophobicContact CD2-CB 4.04Å; L89-L122 HydrophobicContact CG-CB 4.41Å; L89-K126 HydrophobicContact CD2-CB 4.01Å; L89-K126 HydrophobicContact CD2-CG 4.48Å
90C92.2Very high95.4Very high93 Ų9326 Ų2663%0.62815%0.149SC*.G310 helixtrans-59.7-25.7178.354.20000113.1R88 A92R88-C90 VanDerWaalsContact C-N 3.3Å; R88-C90 VanDerWaalsContact CB-SG 3.57Å; R88-C90 PolarHBondContact O-N 3.23Å; C90-A92 VanDerWaalsContact C-N 3.31Å; C90-A92 PolarHBondContact O-N 2.95Å
91H95.4Very high95.3Very high20 Ų2027.2 Ų27.29%0.09316%0.163CC..G310 helixtrans-75.1-18.5178.4-56.8152.1000113.4D41 L68 R86 R88 L89 A93 A94 I95D41-H91 IonicContact OD1-NE2 3.67Å; D41-H91 IonicContact OD2-CE1 3.23Å; D41-H91 PolarHBondContact OD2-CE1 3.4Å; D41-H91 IonicContact OD2-NE2 3.63Å; L68-H91 HydrophobicContact CD2-CB 3.99Å; R86-H91 PolarHBondContact O-CE1 2.82Å; R86-H91 PolarHBondContact O-ND1 3.42Å; R88-H91 PolarHBondContact O-N 3.44Å; L89-H91 PolarHBondContact O-N 3.08Å; H91-A93 VanDerWaalsContact C-N 3.31Å; H91-A93 PolarHBondContact O-N 3.33Å; H91-A94 PolarHBondContact O-N 3.38Å; H91-A94 VanDerWaalsContact O-N 3.16Å; H91-I95 HydrophobicContact CB-CD1 3.85Å; H91-I95 HydrophobicContact CB-CG1 4.38Å; H91-I95 VanDerWaalsContact O-CG1 3.27Å; H91-I95 WeakPolarHBondContact O-CG1 3.28Å; H91-I95 PolarHBondContact O-N 3.34Å
92A96.9Very high95.1Very high3 Ų327.6 Ų27.63%0.02517%0.165CC..Hα-helixtrans-58-40.6-170.400000113.2L89 C90 A96 L123 K126 L130L89-A92 VanDerWaalsContact O-CB 3.28Å; L89-A92 WeakPolarHBondContact O-CB 3.27Å; L89-A92 PolarHBondContact O-N 2.97Å; L89-A92 VanDerWaalsContact O-N 3.07Å; C90-A92 VanDerWaalsContact C-N 3.31Å; C90-A92 PolarHBondContact O-N 2.95Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.11Å; A92-A96 PolarHBondContact O-N 3.25Å; A92-L123 HydrophobicContact CB-CD1 3.89Å; A92-K126 HydrophobicContact CB-CB 4.23Å; A92-K126 HydrophobicContact CB-CG 3.6Å; A92-L130 HydrophobicContact CB-CD1 4.04Å; A92-L130 WeakPolarHBondContact O-CD1 3.45Å
93A96.2Very high94.8Very high61 Ų6129.5 Ų29.550%0.50418%0.181SC..Hα-helixtrans-66.7-43.9179.200000112.3H91 A96 S97H91-A93 VanDerWaalsContact C-N 3.31Å; H91-A93 PolarHBondContact O-N 3.33Å; A93-A96 PolarHBondContact O-N 3.12Å; A93-S97 PolarHBondContact O-N 2.73Å
94A96.7Very high94.4Very high10 Ų1038.2 Ų38.28%0.08322%0.219CC..Hα-helixtrans-68-42.6178.400000111.8L68 V70 H91 A96 S97 V98L68-A94 HydrophobicContact CD1-CB 3.9Å; L68-A94 HydrophobicContact CD2-CB 4.03Å; L68-A94 HydrophobicContact CG-CB 3.69Å; V70-A94 HydrophobicContact CG2-CB 4.15Å; H91-A94 PolarHBondContact O-N 3.38Å; H91-A94 VanDerWaalsContact O-N 3.16Å; A94-A96 VanDerWaalsContact C-N 3.35Å; A94-A96 PolarHBondContact O-N 3.2Å; A94-S97 WeakPolarHBondContact O-CB 3.45Å; A94-S97 PolarHBondContact O-N 2.91Å; A94-V98 PolarHBondContact O-N 3.46Å
95I97.1Very high93.8Very high0 Ų042.3 Ų42.30%024%0.244CC..Hα-helixtrans-57.6-49.7173.5-64.8164.5000109.8L68 I83 V85 H91 S97 V98 V99 L113 L123 L127L68-I95 HydrophobicContact CD1-CG1 4.38Å; L68-I95 HydrophobicContact CD2-CG1 4.36Å; I83-I95 HydrophobicContact CD1-CG2 4.27Å; I83-I95 HydrophobicContact CG2-CG1 4.24Å; V85-I95 HydrophobicContact CG2-CD1 4.25Å; H91-I95 HydrophobicContact CB-CD1 3.85Å; H91-I95 HydrophobicContact CB-CG1 4.38Å; H91-I95 VanDerWaalsContact O-CG1 3.27Å; H91-I95 WeakPolarHBondContact O-CG1 3.28Å; H91-I95 PolarHBondContact O-N 3.34Å; I95-S97 VanDerWaalsContact C-N 3.27Å; I95-S97 PolarHBondContact O-N 2.95Å; I95-V98 PolarHBondContact O-N 3.18Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 3.43Å; I95-L113 HydrophobicContact CD1-CD1 4.03Å; I95-L123 HydrophobicContact CD1-CD1 4.47Å; I95-L127 HydrophobicContact CB-CD2 4.11Å; I95-L127 HydrophobicContact CG2-CD2 3.74Å
96A96.9Very high93.1Very high5 Ų545.6 Ų45.64%0.04126%0.256CS..Hα-helixtrans-61.9-35.4179.400000112.6A92 A93 A94 K100 L130 V132A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.11Å; A92-A96 PolarHBondContact O-N 3.25Å; A93-A96 PolarHBondContact O-N 3.12Å; A94-A96 VanDerWaalsContact C-N 3.35Å; A94-A96 PolarHBondContact O-N 3.2Å; A96-K100 VanDerWaalsContact O-CB 3.28Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.41Å; A96-K100 PolarHBondContact O-N 2.83Å; A96-L130 HydrophobicContact CB-CB 4.09Å; A96-L130 HydrophobicContact CB-CD1 3.79Å; A96-L130 HydrophobicContact CB-CG 4.49Å; A96-V132 HydrophobicContact CB-CG1 3.97Å; A96-V132 HydrophobicContact CB-CG2 3.88Å
97S95.7Very high92.2Very high36 Ų3653 Ų5325%0.25230%0.297SS..Hα-helixtrans-62.7-44.6174.6-176.50000112.2G71 A93 A94 I95 G101G71-S97 PolarHBondContact N-OG 2.94Å; A93-S97 PolarHBondContact O-N 2.73Å; A94-S97 WeakPolarHBondContact O-CB 3.45Å; A94-S97 PolarHBondContact O-N 2.91Å; I95-S97 VanDerWaalsContact C-N 3.27Å; I95-S97 PolarHBondContact O-N 2.95Å; S97-G101 PolarHBondContact O-N 3.26Å
98V94.6Very high91.7Very high2 Ų255.8 Ų55.81%0.01231%0.311CS..Hα-helixtrans-64.4-51.7178.7171.40000110.4I39 L68 C72 I83 A94 I95 K100 G101 L102I39-V98 HydrophobicContact CD1-CG1 3.68Å; I39-V98 HydrophobicContact CD1-CG2 4.28Å; L68-V98 HydrophobicContact CD1-CG2 4.36Å; C72-V98 HydrophobicContact CB-CG2 3.92Å; I83-V98 HydrophobicContact CD1-CB 4.29Å; I83-V98 HydrophobicContact CD1-CG1 3.94Å; A94-V98 PolarHBondContact O-N 3.46Å; I95-V98 PolarHBondContact O-N 3.18Å; V98-K100 PolarHBondContact O-N 3.35Å; V98-G101 WeakPolarHBondContact O-CA 3.49Å; V98-G101 PolarHBondContact O-N 3.01Å; V98-G101 VanDerWaalsContact O-N 3.08Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.47Å; V98-L102 WeakPolarHBondContact O-CG 3.07Å; V98-L102 PolarHBondContact O-N 2.73Å
99V94.7Very high91.3Very high0 Ų053.4 Ų53.40%030%0.304CS..Hα-helixtrans-60.7-46.2-177.1178.40000111I83 I95 G101 L102 A103 L109 V132 Q135 L136I83-V99 HydrophobicContact CD1-CG2 4.42Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.38Å; I95-V99 PolarHBondContact O-N 3.43Å; V99-G101 VanDerWaalsContact C-N 3.3Å; V99-G101 PolarHBondContact O-N 3.02Å; V99-L102 PolarHBondContact O-N 3.05Å; V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 2.71Å; V99-L109 HydrophobicContact CG1-CD2 3.96Å; V99-V132 HydrophobicContact CB-CB 4.19Å; V99-V132 HydrophobicContact CB-CG1 4.28Å; V99-V132 HydrophobicContact CG1-CB 3.97Å; V99-V132 HydrophobicContact CG1-CG1 4.24Å; V99-Q135 HydrophobicContact CG1-CB 3.64Å; V99-L136 HydrophobicContact CG2-CD2 3.62Å; V99-L136 HydrophobicContact CG2-CG 4.34Å
100K93.9Very high91.2Very high91 Ų9151.5 Ų51.540%0.39629%0.292SS..Hα-helixtrans-65.1-32.6176-70.9174.6-174.6179.10112.8A96 V98 K104 L130 V132A96-K100 VanDerWaalsContact O-CB 3.28Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.41Å; A96-K100 PolarHBondContact O-N 2.83Å; V98-K100 PolarHBondContact O-N 3.35Å; K100-K104 WeakPolarHBondContact O-CG 3.28Å; K100-K104 PolarHBondContact O-N 3.16Å; K100-L130 VanDerWaalsContact CE-O 3.25Å; K100-L130 WeakPolarHBondContact CE-O 3.41Å; K100-L130 PolarHBondContact NZ-O 2.89Å; K100-V132 HydrophobicContact CD-CG1 4.18Å; K100-V132 VanDerWaalsContact CE-CG1 3.44Å; K100-V132 HydrophobicContact CG-CG1 3.74Å
101G92Very high91.3Very high36 Ų3647.1 Ų47.137%0.37126%0.262SS..Hα-helixtrans-65-46.4175.100000111.7S97 V98 V99 K104S97-G101 PolarHBondContact O-N 3.26Å; V98-G101 WeakPolarHBondContact O-CA 3.49Å; V98-G101 PolarHBondContact O-N 3.01Å; V98-G101 VanDerWaalsContact O-N 3.08Å; V99-G101 VanDerWaalsContact C-N 3.3Å; V99-G101 PolarHBondContact O-N 3.02Å; G101-K104 PolarHBondContact O-N 2.95Å
102L91.9Very high91.4Very high10 Ų1048 Ų485%0.05227%0.265CS..Hα-helixtrans-69.6-39.2178.8-65.1167000112.8V74 V81 V98 V99 K104 T105 R106 L109V74-L102 HydrophobicContact CB-CD2 3.97Å; V74-L102 HydrophobicContact CG2-CD2 3.86Å; V81-L102 HydrophobicContact CB-CD1 3.96Å; V81-L102 HydrophobicContact CG1-CD1 4.05Å; V81-L102 HydrophobicContact CG2-CD1 3.71Å; V81-L102 HydrophobicContact CG2-CD2 4.12Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.47Å; V98-L102 WeakPolarHBondContact O-CG 3.07Å; V98-L102 PolarHBondContact O-N 2.73Å; V99-L102 PolarHBondContact O-N 3.05Å; L102-K104 PolarHBondContact O-N 3Å; L102-K104 VanDerWaalsContact O-N 3.14Å; L102-T105 PolarHBondContact O-N 3.02Å; L102-T105 PolarHBondContact O-OG1 3.47Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-L109 HydrophobicContact CB-CD1 3.37Å; L102-L109 HydrophobicContact CB-CD2 4.42Å; L102-L109 HydrophobicContact CD1-CD1 3.88Å; L102-L109 HydrophobicContact CG-CD1 4.2Å
103A90.3Very high91.4Very high39 Ų3947.9 Ų47.932%0.32226%0.264SS..Hα-helixtrans-62.9-19.7176.900000113.2V99 L109V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 2.71Å; A103-L109 HydrophobicContact CB-CD2 4.5Å
104K88.5Confident91.5Very high183 Ų18345 Ų4580%0.79624%0.24SC*.Hα-helixtrans-80.3-24.7173.3-71.9172.4-178.8-175.10113.2K100 G101 L102K100-K104 WeakPolarHBondContact O-CG 3.28Å; K100-K104 PolarHBondContact O-N 3.16Å; G101-K104 PolarHBondContact O-N 2.95Å; L102-K104 PolarHBondContact O-N 3Å; L102-K104 VanDerWaalsContact O-N 3.14Å
105T85.7Confident91.5Very high89 Ų8944.5 Ų44.555%0.54624%0.236SC..Hα-helixtrans-98.8-27.7-175.156.50000112.6L102L102-T105 PolarHBondContact O-N 3.02Å; L102-T105 PolarHBondContact O-OG1 3.47Å
106R81.9Confident91.5Very high68 Ų6844.8 Ų44.826%0.25724%0.238SC..  trans-143.9134-175.8-173.5177.5173.5-174.5-6.2112.3P77 K78 L102 D108P77-R106 WeakPolarHBondContact O-CD 3.42Å; K78-R106 VanDerWaalsContact C-NH1 3.29Å; K78-R106 PolarHBondContact O-NH1 3.17Å; L102-R106 PolarHBondContact O-N 3.43Å; R106-D108 WeakPolarHBondContact CD-O 3.16Å; R106-D108 WeakPolarHBondContact CG-O 3.34Å; R106-D108 IonicContact CZ-OD2 3.9Å; R106-D108 PolarHBondContact NE-O 3.31Å; R106-D108 IonicContact NE-OD2 2.68Å; R106-D108 IonicContact NH2-OD2 3.72Å; R106-D108 PolarHBondContact NH2-OD2 2.96Å
107N75.2Confident91.4Very high171 Ų17145 Ų4591%0.91424%0.239SC*.SBendtrans-76.2-36.3177.2-70.7-12000113.2L109N107-L109 PolarHBondContact O-N 3.31Å
108D83.7Confident91.3Very high85 Ų8545.5 Ų45.546%0.45524%0.237SC..SBendtrans-9077.6172.9163.330.5000109.8R106 Q110R106-D108 WeakPolarHBondContact CD-O 3.16Å; R106-D108 WeakPolarHBondContact CG-O 3.34Å; R106-D108 IonicContact CZ-OD2 3.9Å; R106-D108 PolarHBondContact NE-O 3.31Å; R106-D108 IonicContact NE-OD2 2.68Å; R106-D108 IonicContact NH2-OD2 3.72Å; R106-D108 PolarHBondContact NH2-OD2 2.96Å; D108-Q110 PolarHBondContact O-N 3.39Å; D108-Q110 PolarHBondContact OD1-NE2 3.02Å
109L84.1Confident91.2Very high28 Ų2847.9 Ų47.915%0.14725%0.252CS..  trans-73.6115.5179.8-18057.7000111V99 L102 A103 N107 C111 Q135 T137V99-L109 HydrophobicContact CG1-CD2 3.96Å; L102-L109 HydrophobicContact CB-CD1 3.37Å; L102-L109 HydrophobicContact CB-CD2 4.42Å; L102-L109 HydrophobicContact CD1-CD1 3.88Å; L102-L109 HydrophobicContact CG-CD1 4.2Å; A103-L109 HydrophobicContact CB-CD2 4.5Å; N107-L109 PolarHBondContact O-N 3.31Å; L109-C111 HydrophobicContact CD1-CB 3.8Å; L109-C111 HydrophobicContact CD2-CB 4.07Å; L109-C111 HydrophobicContact CG-CB 3.72Å; L109-Q135 HydrophobicContact CD2-CB 4.37Å; L109-Q135 WeakPolarHBondContact CD2-O 3.46Å; L109-T137 PolarHBondContact O-OG1 2.74Å
110Q91.7Very high91.1Very high52 Ų5248.9 Ų48.924%0.24326%0.259CS..  trans-9985.5168.8-64.7-62.7-40.700109.1T80 V81 D108 Y112 T137T80-Q110 HydrophobicContact CG2-CB 4.07Å; V81-Q110 PolarHBondContact N-O 3.08Å; D108-Q110 PolarHBondContact O-N 3.39Å; D108-Q110 PolarHBondContact OD1-NE2 3.02Å; Q110-Y112 PolarHBondContact OE1-OH 3.46Å; Q110-T137 WeakPolarHBondContact CA-OG1 3.46Å
111C94.8Very high91.1Very high0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-129.3113.5-177.9-1700000111.5V81 L109 L136 T137V81-C111 CarbonylContact O-C 3.6Å; V81-C111 VanDerWaalsContact O-CA 3.29Å; V81-C111 WeakPolarHBondContact O-CA 3.28Å; L109-C111 HydrophobicContact CD1-CB 3.8Å; L109-C111 HydrophobicContact CD2-CB 4.07Å; L109-C111 HydrophobicContact CG-CB 3.72Å; C111-L136 HydrophobicContact CB-CD2 4.33Å; C111-L136 CarbonylContact O-C 3.58Å; C111-T137 PolarHBondContact N-OG1 2.91Å; C111-T137 PolarHBondContact O-N 2.88Å; C111-T137 PolarHBondContact O-OG1 2.91Å
112Y97Very high91.2Very high38 Ų3853.8 Ų53.815%0.14928%0.284CS..EExtended strand (participates in β ladder)trans-104.1133.5-177.4-66.5-109.3000109.3I32 T80 V81 I83 Q110 T137 S138I32-Y112 HydrophobicContact CD1-CD1 3.61Å; I32-Y112 HydrophobicContact CD1-CD2 4.36Å; I32-Y112 HydrophobicContact CD1-CE1 4.12Å; I32-Y112 HydrophobicContact CD1-CG 3.79Å; I32-Y112 HydrophobicContact CG1-CD1 3.94Å; I32-Y112 HydrophobicContact CG1-CE1 3.91Å; I32-Y112 HydrophobicContact CG1-CG 4.41Å; I32-Y112 HydrophobicContact CG2-CD2 4.18Å; I32-Y112 HydrophobicContact CG2-CE2 3.93Å; T80-Y112 HydrophobicContact CG2-CD2 3.65Å; T80-Y112 HydrophobicContact CG2-CE2 3.62Å; V81-Y112 PolarHBondContact O-N 3.42Å; I83-Y112 PolarHBondContact N-O 2.91Å; Q110-Y112 PolarHBondContact OE1-OH 3.46Å; Y112-T137 HydrophobicContact CE1-CG2 4.15Å; Y112-T137 HydrophobicContact CE2-CG2 3.89Å; Y112-T137 WeakPolarHBondContact OH-CG2 3.46Å; Y112-S138 WeakPolarHBondContact CD1-OG 3.29Å; Y112-S138 WeakPolarHBondContact CE1-OG 3.41Å
113L97.4Very high91.4Very high1 Ų153.3 Ų53.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-106.6114.2171.2175.963.6000109.3I83 V85 I95 L115 L127 L136 S138 I139 E140I83-L113 HydrophobicContact CB-CD1 4.04Å; I83-L113 HydrophobicContact CG2-CD1 3.83Å; V85-L113 HydrophobicContact CG2-CD1 3.78Å; I95-L113 HydrophobicContact CD1-CD1 4.03Å; L113-L115 HydrophobicContact CD1-CD2 4.02Å; L113-L115 HydrophobicContact CD2-CD2 4.2Å; L113-L115 HydrophobicContact CG-CD2 3.98Å; L113-L115 HydrophobicContact CG-CG 4.34Å; L113-L127 HydrophobicContact CD2-CD1 3.55Å; L113-L136 HydrophobicContact CB-CD1 4.06Å; L113-L136 HydrophobicContact CB-CD2 4.25Å; L113-L136 HydrophobicContact CD2-CD1 4.02Å; L113-S138 PolarHBondContact N-O 2.85Å; L113-I139 HydrophobicContact CB-CG1 4.27Å; L113-I139 HydrophobicContact CB-CG2 4.5Å; L113-I139 HydrophobicContact CD2-CD1 4.38Å; L113-I139 HydrophobicContact CD2-CG1 4.3Å; L113-I139 HydrophobicContact CD2-CG2 4.16Å; L113-I139 HydrophobicContact CG-CG2 4.35Å; L113-I139 CarbonylContact O-C 3.55Å; L113-I139 VanDerWaalsContact O-CA 3.3Å; L113-I139 WeakPolarHBondContact O-CA 3.46Å; L113-E140 PolarHBondContact O-N 3.34Å
114I97.5Very high91.7Very high1 Ų154.3 Ų54.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-107.2121.2177.5-53.8169.8000108.8L28 I82 I83 L84 V85 L142L28-I114 HydrophobicContact CD1-CD1 4.11Å; L28-I114 HydrophobicContact CD1-CG1 4.37Å; L28-I114 HydrophobicContact CD1-CG2 3.93Å; L28-I114 HydrophobicContact CD2-CD1 3.24Å; L28-I114 HydrophobicContact CD2-CG1 4.01Å; L28-I114 HydrophobicContact CG-CD1 4.33Å; I82-I114 HydrophobicContact CG2-CD1 3.23Å; I82-I114 HydrophobicContact CG2-CG1 3.93Å; I83-I114 PolarHBondContact O-N 2.99Å; L84-I114 WeakPolarHBondContact CA-O 3.28Å; L84-I114 HydrophobicContact CD1-CB 3.52Å; L84-I114 HydrophobicContact CD1-CD1 4.23Å; L84-I114 HydrophobicContact CD1-CG2 3.35Å; V85-I114 PolarHBondContact N-O 3.36Å; I114-L142 HydrophobicContact CG2-CB 3.56Å
115L97.5Very high92.1Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-100.2128.3-179.6-58.9178.3000111V85 L113 P117 H118 V119 L123 I139 E140 Q141 L142V85-L115 HydrophobicContact CG2-CD2 3.55Å; V85-L115 WeakPolarHBondContact O-CA 3.33Å; L113-L115 HydrophobicContact CD1-CD2 4.02Å; L113-L115 HydrophobicContact CD2-CD2 4.2Å; L113-L115 HydrophobicContact CG-CD2 3.98Å; L113-L115 HydrophobicContact CG-CG 4.34Å; L115-P117 CarbonylContact O-C 3.54Å; L115-H118 WeakPolarHBondContact CB-O 3.45Å; L115-V119 HydrophobicContact CD1-CB 4.34Å; L115-V119 HydrophobicContact CD1-CG1 4.38Å; L115-L123 HydrophobicContact CD1-CD2 4.38Å; L115-L123 HydrophobicContact CD2-CD2 3.7Å; L115-I139 HydrophobicContact CD1-CG2 4Å; L115-I139 HydrophobicContact CG-CG2 4.4Å; L115-E140 PolarHBondContact N-O 2.81Å; L115-Q141 WeakPolarHBondContact O-CA 3.49Å; L115-L142 PolarHBondContact O-N 3.14Å
116V96.9Very high92.6Very high5 Ų550.7 Ų50.73%0.0326%0.257CS..SBendtrans-109.4119.5-178.8-172.50000110.8L44 F48 L84 V85 P87 L142 V144L44-V116 HydrophobicContact CD1-CB 4.06Å; L44-V116 HydrophobicContact CD1-CG2 3.88Å; L44-V116 HydrophobicContact CD2-CG1 4.49Å; F48-V116 HydrophobicContact CE2-CG1 4.35Å; F48-V116 HydrophobicContact CE2-CG2 4.41Å; F48-V116 HydrophobicContact CZ-CG1 4.46Å; F48-V116 HydrophobicContact CZ-CG2 4.26Å; L84-V116 HydrophobicContact CD1-CG2 3.51Å; L84-V116 HydrophobicContact CD2-CG2 4.28Å; L84-V116 HydrophobicContact CG-CG2 3.82Å; V85-V116 PolarHBondContact O-N 3.13Å; P87-V116 WeakPolarHBondContact CD-O 3.42Å; V116-L142 HydrophobicContact CG2-CB 4.3Å; V116-L142 HydrophobicContact CG2-CD2 4.29Å; V116-V144 HydrophobicContact CG1-CB 4.26Å
117P95.3Very high93.4Very high11 Ų1147.5 Ų47.57%0.07125%0.245CC..SBendcis-91.8-17.2-2.632.5-30.6000115.1L115 L142 Y145 T175L115-P117 CarbonylContact O-C 3.54Å; P117-L142 VanDerWaalsContact CA-O 3.23Å; P117-L142 WeakPolarHBondContact CA-O 3.31Å; P117-L142 CarbonylContact O-C 3.58Å; P117-Y145 HydrophobicContact CB-CD1 3.68Å; P117-Y145 HydrophobicContact CB-CD2 4.48Å; P117-Y145 HydrophobicContact CB-CE1 3.58Å; P117-Y145 HydrophobicContact CB-CE2 4.4Å; P117-Y145 HydrophobicContact CB-CG 4.13Å; P117-Y145 HydrophobicContact CG-CD1 3.53Å; P117-Y145 HydrophobicContact CG-CE1 3.5Å; P117-Y145 HydrophobicContact CG-CG 4.39Å; P117-T175 HydrophobicContact CG-CG2 4.02Å
118H93Very high94.4Very high45 Ų4544.9 Ų44.921%0.20823%0.226CC..SBendtrans-134.5163-169.758.4-103.4000112.6L115 T175L115-H118 WeakPolarHBondContact CB-O 3.45Å; H118-T175 PolarHBondContact CE1-OG1 3.45Å; H118-T175 VanDerWaalsContact CE1-OG1 3.31Å
119V92.8Very high95.1Very high53 Ų5346.2 Ų46.232%0.32123%0.229SC..  trans-71.2143.3174.4-630000112.8L115 Q141L115-V119 HydrophobicContact CD1-CB 4.34Å; L115-V119 HydrophobicContact CD1-CG1 4.38Å; V119-Q141 HydrophobicContact CG1-CB 4.1Å
120S92.7Very high95.7Very high20 Ų2047 Ų4714%0.1423%0.233CC..  trans-111.7124.3173.1163.40000111.9L122 L123 K124S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.31Å; S120-L122 PolarHBondContact OG-N 3.49Å; S120-L123 PolarHBondContact O-N 2.79Å; S120-L123 PolarHBondContact OG-N 2.94Å; S120-L123 VanDerWaalsContact OG-N 3.13Å; S120-K124 WeakPolarHBondContact O-CG 3.45Å; S120-K124 PolarHBondContact O-N 2.76Å
121V93.6Very high95.9Very high122 Ų12252.5 Ų52.574%0.73926%0.256SS*.Hα-helixtrans-61.5-41174.9179.70000110.6K124 H125V121-K124 PolarHBondContact O-N 3.4Å; V121-H125 WeakPolarHBondContact O-CB 3.31Å; V121-H125 PolarHBondContact O-N 3.15Å
122L94.3Very high96Very high108 Ų10852.5 Ų52.557%0.56526%0.256SS*.Hα-helixtrans-64.7-45.2180-65.2176.5000111.9L89 S120 H125 K126L89-L122 HydrophobicContact CD1-CB 4.46Å; L89-L122 HydrophobicContact CD2-CB 4.04Å; L89-L122 HydrophobicContact CG-CB 4.41Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.31Å; S120-L122 PolarHBondContact OG-N 3.49Å; L122-H125 PolarHBondContact O-N 3.07Å; L122-K126 PolarHBondContact O-N 3.41Å
123L95.7Very high95.9Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-64.8-44.2177.6-179.558000111A92 I95 L115 S120 H125 K126 L127A92-L123 HydrophobicContact CB-CD1 3.89Å; I95-L123 HydrophobicContact CD1-CD1 4.47Å; L115-L123 HydrophobicContact CD1-CD2 4.38Å; L115-L123 HydrophobicContact CD2-CD2 3.7Å; S120-L123 PolarHBondContact O-N 2.79Å; S120-L123 PolarHBondContact OG-N 2.94Å; S120-L123 VanDerWaalsContact OG-N 3.13Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 3.03Å; L123-K126 PolarHBondContact O-N 2.86Å; L123-L127 HydrophobicContact CD1-CD1 4.42Å; L123-L127 HydrophobicContact CD1-CG 4.26Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 HydrophobicContact CG-CG 4.49Å; L123-L127 VanDerWaalsContact O-CG 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 3.41Å
124K96.1Very high95.7Very high61 Ų6159.5 Ų59.527%0.26529%0.294SS..Hα-helixtrans-57.2-45174.9-74.1-177174.9-177.40111.7S120 V121 L127 K128 F133 I139S120-K124 WeakPolarHBondContact O-CG 3.45Å; S120-K124 PolarHBondContact O-N 2.76Å; V121-K124 PolarHBondContact O-N 3.4Å; K124-L127 PolarHBondContact O-N 3.47Å; K124-K128 WeakPolarHBondContact O-CG 3.45Å; K124-K128 PolarHBondContact O-N 2.91Å; K124-K128 VanDerWaalsContact O-N 3.14Å; K124-F133 HydrophobicContact CB-CD2 4.42Å; K124-F133 HydrophobicContact CB-CE2 3.92Å; K124-F133 HydrophobicContact CD-CE2 4.27Å; K124-F133 HydrophobicContact CG-CE2 3.94Å; K124-I139 HydrophobicContact CG-CD1 4.35Å
125H96.9Very high95.5Very high127 Ų12763.2 Ų63.259%0.58831%0.312SS*.Hα-helixtrans-60.9-45.5176.4-175.279.9000111.6V121 L122 L123 L127 K128 E129V121-H125 WeakPolarHBondContact O-CB 3.31Å; V121-H125 PolarHBondContact O-N 3.15Å; L122-H125 PolarHBondContact O-N 3.07Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 3.03Å; H125-L127 VanDerWaalsContact C-N 3.33Å; H125-L127 PolarHBondContact O-N 3.32Å; H125-K128 WeakPolarHBondContact O-CB 3.34Å; H125-K128 PolarHBondContact O-N 3.04Å; H125-K128 VanDerWaalsContact O-N 3.14Å; H125-E129 PolarHBondContact O-N 3.06Å
126K97.5Very high95.4Very high69 Ų6964 Ų6430%0.332%0.316SS..Hα-helixtrans-63.7-36.9178.6-168.857.7174.5-1790112.9L89 A92 L122 L123 K128 E129 L130L89-K126 HydrophobicContact CD2-CB 4.01Å; L89-K126 HydrophobicContact CD2-CG 4.48Å; A92-K126 HydrophobicContact CB-CB 4.23Å; A92-K126 HydrophobicContact CB-CG 3.6Å; L122-K126 PolarHBondContact O-N 3.41Å; L123-K126 PolarHBondContact O-N 2.86Å; K126-K128 VanDerWaalsContact C-N 3.32Å; K126-K128 PolarHBondContact O-N 3.31Å; K126-E129 WeakPolarHBondContact CD-OE2 3.33Å; K126-E129 IonicContact NZ-OE1 3.75Å; K126-E129 PolarHBondContact NZ-OE1 2.8Å; K126-E129 IonicContact NZ-OE2 3.29Å; K126-E129 PolarHBondContact NZ-OE2 2.82Å; K126-E129 WeakPolarHBondContact O-CB 3.04Å; K126-E129 PolarHBondContact O-N 2.96Å; K126-L130 HydrophobicContact CG-CD1 4.34Å; K126-L130 WeakPolarHBondContact O-CG 3.35Å; K126-L130 PolarHBondContact O-N 2.79Å
127L97.4Very high95.3Very high0 Ų066.4 Ų66.40%033%0.33CS..Hα-helixtrans-67-32.1175.4-67.3173.2000112.7I95 L113 L123 K124 H125 K131 V132 F133 L136I95-L127 HydrophobicContact CB-CD2 4.11Å; I95-L127 HydrophobicContact CG2-CD2 3.74Å; L113-L127 HydrophobicContact CD2-CD1 3.55Å; L123-L127 HydrophobicContact CD1-CD1 4.42Å; L123-L127 HydrophobicContact CD1-CG 4.26Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 HydrophobicContact CG-CG 4.49Å; L123-L127 VanDerWaalsContact O-CG 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 3.41Å; K124-L127 PolarHBondContact O-N 3.47Å; H125-L127 VanDerWaalsContact C-N 3.33Å; H125-L127 PolarHBondContact O-N 3.32Å; L127-K131 PolarHBondContact O-N 3.45Å; L127-V132 HydrophobicContact CB-CG2 4.18Å; L127-V132 HydrophobicContact CD2-CG2 3.79Å; L127-V132 WeakPolarHBondContact O-CG2 3.32Å; L127-V132 PolarHBondContact O-N 3.03Å; L127-V132 VanDerWaalsContact O-N 3.09Å; L127-F133 HydrophobicContact CB-CB 4.18Å; L127-F133 HydrophobicContact CB-CD2 4.32Å; L127-F133 PolarHBondContact O-N 3.3Å; L127-L136 HydrophobicContact CD1-CD1 4.29Å
128K97.4Very high95.3Very high117 Ų11767.3 Ų67.351%0.50934%0.337SS..Hα-helixtrans-67.4-45.8172.1-71.2180177.3-170.60111.2K124 H125 K126 L130 K131 F133K124-K128 WeakPolarHBondContact O-CG 3.45Å; K124-K128 PolarHBondContact O-N 2.91Å; K124-K128 VanDerWaalsContact O-N 3.14Å; H125-K128 WeakPolarHBondContact O-CB 3.34Å; H125-K128 PolarHBondContact O-N 3.04Å; H125-K128 VanDerWaalsContact O-N 3.14Å; K126-K128 VanDerWaalsContact C-N 3.32Å; K126-K128 PolarHBondContact O-N 3.31Å; K128-L130 VanDerWaalsContact C-N 3.26Å; K128-L130 PolarHBondContact O-N 2.76Å; K128-K131 WeakPolarHBondContact O-CA 3.39Å; K128-K131 PolarHBondContact O-N 2.95Å; K128-F133 HydrophobicContact CB-CB 4.28Å; K128-F133 HydrophobicContact CD-CD1 4.48Å; K128-F133 HydrophobicContact CD-CG 4.37Å; K128-F133 HydrophobicContact CG-CB 3.53Å; K128-F133 HydrophobicContact CG-CD1 3.94Å; K128-F133 HydrophobicContact CG-CD2 3.82Å; K128-F133 HydrophobicContact CG-CG 3.48Å; K128-F133 VanDerWaalsContact CG-CG 3.48Å
129E97.2Very high95.4Very high113 Ų11366.9 Ų66.953%0.52834%0.336SS..Hα-helixtrans-56.6-41.2175-169.4-160133.900111.6H125 K126 K131H125-E129 PolarHBondContact O-N 3.06Å; K126-E129 WeakPolarHBondContact CD-OE2 3.33Å; K126-E129 IonicContact NZ-OE1 3.75Å; K126-E129 PolarHBondContact NZ-OE1 2.8Å; K126-E129 IonicContact NZ-OE2 3.29Å; K126-E129 PolarHBondContact NZ-OE2 2.82Å; K126-E129 WeakPolarHBondContact O-CB 3.04Å; K126-E129 PolarHBondContact O-N 2.96Å; E129-K131 PolarHBondContact O-N 3.05Å
130L97.1Very high95.5Very high43 Ų4365.9 Ų65.923%0.22533%0.328CS..THydrogen-bonded Turntrans-76.6-0.7177.3-66.1174.8000114.4A92 A96 K100 K126 K128 V132A92-L130 HydrophobicContact CB-CD1 4.04Å; A92-L130 WeakPolarHBondContact O-CD1 3.45Å; A96-L130 HydrophobicContact CB-CB 4.09Å; A96-L130 HydrophobicContact CB-CD1 3.79Å; A96-L130 HydrophobicContact CB-CG 4.49Å; K100-L130 VanDerWaalsContact CE-O 3.25Å; K100-L130 WeakPolarHBondContact CE-O 3.41Å; K100-L130 PolarHBondContact NZ-O 2.89Å; K126-L130 HydrophobicContact CG-CD1 4.34Å; K126-L130 WeakPolarHBondContact O-CG 3.35Å; K126-L130 PolarHBondContact O-N 2.79Å; K128-L130 VanDerWaalsContact C-N 3.26Å; K128-L130 PolarHBondContact O-N 2.76Å; L130-V132 VanDerWaalsContact C-N 3.35Å; L130-V132 HydrophobicContact CB-CG2 4.22Å; L130-V132 PolarHBondContact O-N 3.13Å
131K96.5Very high95.7Very high168 Ų16869.5 Ų69.573%0.7334%0.343SS*.THydrogen-bonded Turntrans58.936.2179.6-55.1-177.6-179.6-1790114.6L127 K128 E129L127-K131 PolarHBondContact O-N 3.45Å; K128-K131 WeakPolarHBondContact O-CA 3.39Å; K128-K131 PolarHBondContact O-N 2.95Å; E129-K131 PolarHBondContact O-N 3.05Å
132V95.5Very high95.8Very high0 Ų063.8 Ų63.80%031%0.308CS..  trans-119.5-12178.7-650000113.3A96 V99 K100 L127 L130 D134 Q135 L136A96-V132 HydrophobicContact CB-CG1 3.97Å; A96-V132 HydrophobicContact CB-CG2 3.88Å; V99-V132 HydrophobicContact CB-CB 4.19Å; V99-V132 HydrophobicContact CB-CG1 4.28Å; V99-V132 HydrophobicContact CG1-CB 3.97Å; V99-V132 HydrophobicContact CG1-CG1 4.24Å; K100-V132 HydrophobicContact CD-CG1 4.18Å; K100-V132 VanDerWaalsContact CE-CG1 3.44Å; K100-V132 HydrophobicContact CG-CG1 3.74Å; L127-V132 HydrophobicContact CB-CG2 4.18Å; L127-V132 HydrophobicContact CD2-CG2 3.79Å; L127-V132 WeakPolarHBondContact O-CG2 3.32Å; L127-V132 PolarHBondContact O-N 3.03Å; L127-V132 VanDerWaalsContact O-N 3.09Å; L130-V132 VanDerWaalsContact C-N 3.35Å; L130-V132 HydrophobicContact CB-CG2 4.22Å; L130-V132 PolarHBondContact O-N 3.13Å; V132-D134 PolarHBondContact O-N 2.83Å; V132-Q135 WeakPolarHBondContact O-CB 3.4Å; V132-Q135 PolarHBondContact O-N 3.02Å; V132-Q135 VanDerWaalsContact O-N 3.14Å; V132-L136 PolarHBondContact O-N 2.88Å
133F95.3Very high95.9Very high45 Ų4560.3 Ų60.320%0.19729%0.292CS..G310 helixtrans-56.1-48.8-178.3-178.2-85.4000112.4K124 L127 K128 Q135 L136 I139K124-F133 HydrophobicContact CB-CD2 4.42Å; K124-F133 HydrophobicContact CB-CE2 3.92Å; K124-F133 HydrophobicContact CD-CE2 4.27Å; K124-F133 HydrophobicContact CG-CE2 3.94Å; L127-F133 HydrophobicContact CB-CB 4.18Å; L127-F133 HydrophobicContact CB-CD2 4.32Å; L127-F133 PolarHBondContact O-N 3.3Å; K128-F133 HydrophobicContact CB-CB 4.28Å; K128-F133 HydrophobicContact CD-CD1 4.48Å; K128-F133 HydrophobicContact CD-CG 4.37Å; K128-F133 HydrophobicContact CG-CB 3.53Å; K128-F133 HydrophobicContact CG-CD1 3.94Å; K128-F133 HydrophobicContact CG-CD2 3.82Å; K128-F133 HydrophobicContact CG-CG 3.48Å; K128-F133 VanDerWaalsContact CG-CG 3.48Å; F133-Q135 PolarHBondContact O-N 3.21Å; F133-L136 PolarHBondContact O-N 3.16Å; F133-I139 HydrophobicContact CD2-CD1 3.63Å; F133-I139 HydrophobicContact CE2-CD1 3.32Å; F133-I139 HydrophobicContact CZ-CD1 4.02Å
134D93.7Very high96Very high142 Ų14260.5 Ų60.576%0.75929%0.293SS*.G310 helixtrans-76.2-6.4-177.5-52.6-54.7000113.3V132V132-D134 PolarHBondContact O-N 2.83Å
135Q93.5Very high96Very high78 Ų7858.7 Ų58.736%0.36429%0.285SS..G310 helixtrans-89.9-16.3175.8-63.4176.4-2.100112.2V99 L109 V132 F133V99-Q135 HydrophobicContact CG1-CB 3.64Å; L109-Q135 HydrophobicContact CD2-CB 4.37Å; L109-Q135 WeakPolarHBondContact CD2-O 3.46Å; V132-Q135 WeakPolarHBondContact O-CB 3.4Å; V132-Q135 PolarHBondContact O-N 3.02Å; V132-Q135 VanDerWaalsContact O-N 3.14Å; F133-Q135 PolarHBondContact O-N 3.21Å
136L94.9Very high96Very high16 Ų1652.8 Ų52.88%0.08426%0.257CS..SBendtrans-74.8134.4174.7-68.1166.4000109.3V99 C111 L113 L127 V132 F133 S138 I139V99-L136 HydrophobicContact CG2-CD2 3.62Å; V99-L136 HydrophobicContact CG2-CG 4.34Å; C111-L136 HydrophobicContact CB-CD2 4.33Å; C111-L136 CarbonylContact O-C 3.58Å; L113-L136 HydrophobicContact CB-CD1 4.06Å; L113-L136 HydrophobicContact CB-CD2 4.25Å; L113-L136 HydrophobicContact CD2-CD1 4.02Å; L127-L136 HydrophobicContact CD1-CD1 4.29Å; V132-L136 PolarHBondContact O-N 2.88Å; F133-L136 PolarHBondContact O-N 3.16Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.93Å; L136-I139 HydrophobicContact CB-CG1 4.5Å; L136-I139 HydrophobicContact CD1-CD1 3.97Å; L136-I139 HydrophobicContact CD1-CG1 3.93Å
137T95.1Very high96Very high56 Ų5649.7 Ų49.734%0.34424%0.244SC..SBendtrans-62.8-41.2176-48.50000110.9L109 Q110 C111 Y112L109-T137 PolarHBondContact O-OG1 2.74Å; Q110-T137 WeakPolarHBondContact CA-OG1 3.46Å; C111-T137 PolarHBondContact N-OG1 2.91Å; C111-T137 PolarHBondContact O-N 2.88Å; C111-T137 PolarHBondContact O-OG1 2.91Å; Y112-T137 HydrophobicContact CE1-CG2 4.15Å; Y112-T137 HydrophobicContact CE2-CG2 3.89Å; Y112-T137 WeakPolarHBondContact OH-CG2 3.46Å
138S94.7Very high95.9Very high30 Ų3050.5 Ų50.521%0.2125%0.25CS..EExtended strand (participates in β ladder)trans-159.1159.6172.370.30000111.8Y112 L113 L136Y112-S138 WeakPolarHBondContact CD1-OG 3.29Å; Y112-S138 WeakPolarHBondContact CE1-OG 3.41Å; L113-S138 PolarHBondContact N-O 2.85Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.93Å
139I95.9Very high95.8Very high36 Ų3645.7 Ų45.719%0.18523%0.23CC..EExtended strand (participates in β ladder)trans-120.5109.2169.4-55.1178.7000107.7L113 L115 K124 F133 L136L113-I139 HydrophobicContact CB-CG1 4.27Å; L113-I139 HydrophobicContact CB-CG2 4.5Å; L113-I139 HydrophobicContact CD2-CD1 4.38Å; L113-I139 HydrophobicContact CD2-CG1 4.3Å; L113-I139 HydrophobicContact CD2-CG2 4.16Å; L113-I139 HydrophobicContact CG-CG2 4.35Å; L113-I139 CarbonylContact O-C 3.55Å; L113-I139 VanDerWaalsContact O-CA 3.3Å; L113-I139 WeakPolarHBondContact O-CA 3.46Å; L115-I139 HydrophobicContact CD1-CG2 4Å; L115-I139 HydrophobicContact CG-CG2 4.4Å; K124-I139 HydrophobicContact CG-CD1 4.35Å; F133-I139 HydrophobicContact CD2-CD1 3.63Å; F133-I139 HydrophobicContact CE2-CD1 3.32Å; F133-I139 HydrophobicContact CZ-CD1 4.02Å; L136-I139 HydrophobicContact CB-CG1 4.5Å; L136-I139 HydrophobicContact CD1-CD1 3.97Å; L136-I139 HydrophobicContact CD1-CG1 3.93Å
140E95.4Very high95.7Very high32 Ų3240.9 Ų40.915%0.1521%0.208CC..EExtended strand (participates in β ladder)trans-111.6167.6-175.6-55.6-168.6159.900110.9L28 R31 L113 L115L28-E140 WeakPolarHBondContact CD2-OE2 3.43Å; L28-E140 WeakPolarHBondContact CG-OE2 3.3Å; R31-E140 IonicContact CZ-OE1 3.27Å; R31-E140 IonicContact CZ-OE2 3.64Å; R31-E140 IonicContact NE-OE1 3.85Å; R31-E140 IonicContact NH2-OE1 3.71Å; R31-E140 PolarHBondContact NH2-OE1 2.87Å; R31-E140 IonicContact NH2-OE2 3.67Å; R31-E140 PolarHBondContact NH2-OE2 3Å; L113-E140 PolarHBondContact O-N 3.34Å; L115-E140 PolarHBondContact N-O 2.81Å
141Q95.8Very high95.6Very high97 Ų9743.8 Ų43.845%0.45322%0.219SC..EExtended strand (participates in β ladder)trans-119.6146170.866.7-174.815.900109.5L115 V119L115-Q141 WeakPolarHBondContact O-CA 3.49Å; V119-Q141 HydrophobicContact CG1-CB 4.1Å
142L96.9Very high95.5Very high2 Ų236.9 Ų36.91%0.0119%0.19CC..  trans-119.6101.9174.2173.662.8000107.7L24 L25 L28 F48 L84 I114 L115 V116 P117 V144L24-L142 HydrophobicContact CB-CD1 3.9Å; L25-L142 HydrophobicContact CB-CD2 4.5Å; L25-L142 HydrophobicContact CD1-CD2 3.87Å; L28-L142 HydrophobicContact CD1-CB 4.27Å; L28-L142 HydrophobicContact CD1-CD1 4.36Å; F48-L142 HydrophobicContact CE1-CD2 4.05Å; F48-L142 HydrophobicContact CZ-CD2 3.85Å; L84-L142 HydrophobicContact CD1-CD2 4.02Å; I114-L142 HydrophobicContact CG2-CB 3.56Å; L115-L142 PolarHBondContact O-N 3.14Å; V116-L142 HydrophobicContact CG2-CB 4.3Å; V116-L142 HydrophobicContact CG2-CD2 4.29Å; P117-L142 VanDerWaalsContact CA-O 3.23Å; P117-L142 WeakPolarHBondContact CA-O 3.31Å; P117-L142 CarbonylContact O-C 3.58Å; L142-V144 HydrophobicContact CD1-CG2 4.05Å; L142-V144 HydrophobicContact CD2-CG2 4.19Å; L142-V144 HydrophobicContact CG-CB 4.45Å; L142-V144 HydrophobicContact CG-CG2 3.78Å; L142-V144 PolarHBondContact O-N 3Å
143P95.9Very high95.6Very high35 Ų3537.2 Ų37.223%0.22719%0.191CC..  trans-7554.8-170.130.1-34.2000113.4L24 Y145L24-P143 HydrophobicContact CD1-CG 4.06Å; L24-P143 HydrophobicContact CD2-CG 4.27Å; P143-Y145 HydrophobicContact CB-CD2 4.49Å; P143-Y145 HydrophobicContact CB-CE2 3.7Å; P143-Y145 VanDerWaalsContact O-CD2 3.31Å; P143-Y145 WeakPolarHBondContact O-CD2 3.23Å
144V96.7Very high95.7Very high3 Ų335 Ų352%0.01818%0.182CC..  trans-93.497.5173.5172.90000107.9I51 V116 L142 F147I51-V144 HydrophobicContact CD1-CG1 3.62Å; V116-V144 HydrophobicContact CG1-CB 4.26Å; L142-V144 HydrophobicContact CD1-CG2 4.05Å; L142-V144 HydrophobicContact CD2-CG2 4.19Å; L142-V144 HydrophobicContact CG-CB 4.45Å; L142-V144 HydrophobicContact CG-CG2 3.78Å; L142-V144 PolarHBondContact O-N 3Å; V144-F147 HydrophobicContact CG1-CE1 3.98Å; V144-F147 HydrophobicContact CG1-CZ 4.06Å
145Y96.5Very high95.9Very high24 Ų2428.3 Ų28.39%0.09415%0.146CC..  trans-90.6-30.5-177.6-63.8-86.2000113.5P117 P143 M156 T175 Q178 A179 H182P117-Y145 HydrophobicContact CB-CD1 3.68Å; P117-Y145 HydrophobicContact CB-CD2 4.48Å; P117-Y145 HydrophobicContact CB-CE1 3.58Å; P117-Y145 HydrophobicContact CB-CE2 4.4Å; P117-Y145 HydrophobicContact CB-CG 4.13Å; P117-Y145 HydrophobicContact CG-CD1 3.53Å; P117-Y145 HydrophobicContact CG-CE1 3.5Å; P117-Y145 HydrophobicContact CG-CG 4.39Å; P143-Y145 HydrophobicContact CB-CD2 4.49Å; P143-Y145 HydrophobicContact CB-CE2 3.7Å; P143-Y145 VanDerWaalsContact O-CD2 3.31Å; P143-Y145 WeakPolarHBondContact O-CD2 3.23Å; Y145-M156 WeakPolarHBondContact O-CA 3.49Å; Y145-M156 WeakPolarHBondContact O-CB 3.38Å; Y145-M156 WeakPolarHBondContact O-CG 3.16Å; Y145-T175 HydrophobicContact CD1-CG2 4.37Å; Y145-Q178 HydrophobicContact CE1-CB 3.66Å; Y145-Q178 PolarHBondContact OH-OE1 2.98Å; Y145-A179 HydrophobicContact CD1-CB 3.84Å; Y145-A179 HydrophobicContact CG-CB 3.87Å; Y145-H182 HydrophobicContact CD2-CB 4Å; Y145-H182 HydrophobicContact CE2-CB 4.23Å
146F97.2Very high96.1Very high3 Ų324.8 Ų24.81%0.01313%0.129CC..  trans-131.6145.6-171.3-70-69.3000111.9V17 I154 S155 M156 A179 L183 F583 A610V17-F146 HydrophobicContact CG1-CB 3.74Å; F146-I154 HydrophobicContact CB-CB 4.14Å; F146-I154 HydrophobicContact CB-CD1 4.26Å; F146-I154 HydrophobicContact CD1-CB 4.06Å; F146-I154 HydrophobicContact CD1-CD1 3.77Å; F146-I154 HydrophobicContact CD1-CG1 3.91Å; F146-I154 HydrophobicContact CD2-CD1 3.97Å; F146-I154 HydrophobicContact CE1-CD1 3.97Å; F146-I154 HydrophobicContact CE1-CG1 4.2Å; F146-I154 HydrophobicContact CE2-CD1 4.16Å; F146-I154 HydrophobicContact CG-CB 4.29Å; F146-I154 HydrophobicContact CG-CD1 3.75Å; F146-I154 HydrophobicContact CG-CG1 4.28Å; F146-I154 HydrophobicContact CZ-CD1 4.13Å; F146-S155 CarbonylContact C-O 3.55Å; F146-S155 WeakPolarHBondContact CA-O 3.25Å; F146-M156 HydrophobicContact CD1-CG 3.74Å; F146-M156 HydrophobicContact CE1-CG 3.58Å; F146-M156 HydrophobicContact CE1-SD 4.45Å; F146-M156 HydrophobicContact CZ-CG 4.42Å; F146-A179 HydrophobicContact CD2-CB 4.35Å; F146-A179 HydrophobicContact CE2-CB 3.54Å; F146-A179 HydrophobicContact CZ-CB 3.72Å; F146-L183 HydrophobicContact CD2-CD1 4.35Å; F146-L183 HydrophobicContact CD2-CD2 4.15Å; F146-L183 HydrophobicContact CD2-CG 4.14Å; F146-L183 HydrophobicContact CE2-CD1 3.49Å; F146-L183 VanDerWaalsContact CE2-CD1 3.49Å; F146-L183 HydrophobicContact CE2-CD2 4.07Å; F146-L183 HydrophobicContact CE2-CG 3.59Å; F146-L183 HydrophobicContact CZ-CD1 3.78Å; F146-L183 HydrophobicContact CZ-CG 4.38Å; F146-F583 AromaticContact CE1-CE2 3.99Å; F146-F583 HydrophobicContact CE1-CE2 3.99Å; F146-F583 HydrophobicContact CE1-CZ 4.26Å; F146-F583 HydrophobicContact CZ-CD2 4.49Å; F146-F583 AromaticContact CZ-CE2 3.65Å; F146-F583 HydrophobicContact CZ-CE2 3.65Å; F146-F583 HydrophobicContact CZ-CZ 4.29Å; F146-A610 HydrophobicContact CE1-CB 4.02Å; F146-A610 HydrophobicContact CZ-CB 4.3Å
147F96.8Very high96.2Very high4 Ų424.9 Ų24.92%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-114.7125.5170.1-54.2-86.2000108P47 F48 L50 I51 V144 L149 I154 S155 E157P47-F147 HydrophobicContact CB-CD1 3.62Å; P47-F147 HydrophobicContact CB-CD2 3.79Å; P47-F147 HydrophobicContact CB-CE1 3.42Å; P47-F147 VanDerWaalsContact CB-CE1 3.42Å; P47-F147 HydrophobicContact CB-CE2 3.62Å; P47-F147 HydrophobicContact CB-CG 3.8Å; P47-F147 HydrophobicContact CB-CZ 3.43Å; P47-F147 VanDerWaalsContact CB-CZ 3.43Å; P47-F147 WeakPolarHBondContact O-CD1 3.44Å; P47-F147 WeakPolarHBondContact O-CE1 3.47Å; F48-F147 AromaticContact CD2-CE1 3.9Å; F48-F147 HydrophobicContact CD2-CE1 3.9Å; F48-F147 HydrophobicContact CD2-CZ 4.19Å; F48-F147 HydrophobicContact CE2-CE1 4.08Å; F48-F147 HydrophobicContact CE2-CZ 4.09Å; F48-F147 HydrophobicContact CG-CE1 4.49Å; L50-F147 HydrophobicContact CD1-CB 3.79Å; I51-F147 HydrophobicContact CD1-CD1 3.58Å; I51-F147 HydrophobicContact CD1-CE1 3.44Å; I51-F147 VanDerWaalsContact CD1-CE1 3.44Å; I51-F147 HydrophobicContact CG1-CD1 3.98Å; I51-F147 HydrophobicContact CG1-CE1 4.3Å; V144-F147 HydrophobicContact CG1-CE1 3.98Å; V144-F147 HydrophobicContact CG1-CZ 4.06Å; F147-L149 PolarHBondContact O-N 3.26Å; F147-I154 WeakPolarHBondContact O-CA 3.3Å; F147-S155 WeakPolarHBondContact CD2-O 3.32Å; F147-S155 PolarHBondContact N-O 3.09Å; F147-S155 PolarHBondContact O-N 3.34Å; F147-E157 HydrophobicContact CD2-CB 4.19Å; F147-E157 HydrophobicContact CD2-CG 3.79Å; F147-E157 HydrophobicContact CE2-CB 4.37Å; F147-E157 HydrophobicContact CE2-CG 4.42Å; F147-E157 HydrophobicContact CG-CG 4.43Å
148A96.3Very high96.2Very high16 Ų1623.9 Ų23.913%0.13212%0.122CC..EExtended strand (participates in β ladder)trans-75.6109.6176.300000109.3F14 I154F14-A148 HydrophobicContact CB-CB 4.33Å; F14-A148 WeakPolarHBondContact O-CB 3.35Å; A148-I154 HydrophobicContact CB-CG2 4.16Å
149L96Very high96Very high17 Ų1727.4 Ų27.49%0.08914%0.138CC..EExtended strand (participates in β ladder)trans-82.6-34.6175-57.3-174.4000110.4L50 F147 L153 V614L50-L149 HydrophobicContact CD1-CD2 3.51Å; F147-L149 PolarHBondContact O-N 3.26Å; L149-L153 HydrophobicContact CB-CB 4.49Å; L149-L153 HydrophobicContact CB-CD2 4.05Å; L149-L153 HydrophobicContact CB-CG 4.06Å; L149-L153 HydrophobicContact CD1-CD2 3.91Å; L149-L153 HydrophobicContact CD1-CG 4.09Å; L149-L153 HydrophobicContact CG-CG 4.46Å; L149-L153 PolarHBondContact N-O 2.56Å; L149-V614 HydrophobicContact CD1-CG2 3.52Å
150D95.1Very high95.9Very high12 Ų1226 Ų266%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-151.5-180175-149.5-76.7000110.1D152 L153 N286 S287 R296D150-D152 PolarHBondContact O-N 2.99Å; D150-L153 HydrophobicContact CB-CB 4.21Å; D150-L153 PolarHBondContact N-O 2.92Å; D150-L153 VanDerWaalsContact N-O 3.14Å; D150-L153 PolarHBondContact O-N 2.97Å; D150-N286 WeakPolarHBondContact OD2-CA 3.46Å; D150-N286 WeakPolarHBondContact OD2-CB 3.37Å; D150-S287 WeakPolarHBondContact OD1-CB 3.5Å; D150-S287 PolarHBondContact OD1-OG 2.97Å; D150-S287 VanDerWaalsContact OD1-OG 3.12Å; D150-S287 PolarHBondContact OD2-N 2.98Å; D150-R296 VanDerWaalsContact CG-NH1 3.31Å; D150-R296 IonicContact OD1-NH1 2.83Å; D150-R296 IonicContact OD1-NH2 3.14Å; D150-R296 IonicContact OD2-CZ 3.89Å; D150-R296 IonicContact OD2-NH1 3.56Å; D150-R296 PolarHBondContact OD2-NH1 3.45Å; D150-R296 IonicContact OD2-NH2 3.24Å
151K93.6Very high95.9Very high104 Ų10424.7 Ų24.745%0.45213%0.126SC..THydrogen-bonded Turntrans-62.8-24.9179.369.3-170.9174.3-179.20113.4F14F14-K151 PolarHBondContact N-O 3.34Å; F14-K151 VanDerWaalsContact N-O 3.15Å
152D95.2Very high95.9Very high23 Ų2321 Ų2112%0.12311%0.11CC..THydrogen-bonded Turntrans-121.44.4-175.565.2-11.4000113.8F14 D150 R597 I608 V609F14-D152 VanDerWaalsContact CD2-C 3.46Å; F14-D152 WeakPolarHBondContact CE2-O 3.28Å; D150-D152 PolarHBondContact O-N 2.99Å; D152-R597 IonicContact OD1-CZ 3.03Å; D152-R597 IonicContact OD1-NE 3.63Å; D152-R597 IonicContact OD1-NH2 2.82Å; D152-R597 PolarHBondContact OD1-NH2 3.43Å; D152-R597 WeakPolarHBondContact OD2-CG 3.38Å; D152-R597 IonicContact OD2-CZ 3.72Å; D152-R597 IonicContact OD2-NE 3.1Å; D152-R597 PolarHBondContact OD2-NE 2.74Å; D152-R597 IonicContact OD2-NH2 3.8Å; D152-I608 HydrophobicContact CB-CG2 4.2Å; D152-V609 PolarHBondContact O-N 3.1Å
153L97.6Very high95.7Very high6 Ų622.3 Ų22.33%0.03112%0.12CC..EExtended strand (participates in β ladder)trans-132.5119.1179.8177.663000111.8L149 D150 L590 V593 V609 V614L149-L153 HydrophobicContact CB-CB 4.49Å; L149-L153 HydrophobicContact CB-CD2 4.05Å; L149-L153 HydrophobicContact CB-CG 4.06Å; L149-L153 HydrophobicContact CD1-CD2 3.91Å; L149-L153 HydrophobicContact CD1-CG 4.09Å; L149-L153 HydrophobicContact CG-CG 4.46Å; L149-L153 PolarHBondContact N-O 2.56Å; D150-L153 HydrophobicContact CB-CB 4.21Å; D150-L153 PolarHBondContact N-O 2.92Å; D150-L153 VanDerWaalsContact N-O 3.14Å; D150-L153 PolarHBondContact O-N 2.97Å; L153-L590 HydrophobicContact CD2-CD2 4.35Å; L153-V593 HydrophobicContact CD1-CG2 4.19Å; L153-V593 HydrophobicContact CD2-CG1 4.49Å; L153-V593 HydrophobicContact CD2-CG2 4.31Å; L153-V609 WeakPolarHBondContact CA-O 3.21Å; L153-V609 HydrophobicContact CD1-CB 3.69Å; L153-V609 HydrophobicContact CD1-CG1 3.62Å; L153-V614 HydrophobicContact CD2-CG2 4.31Å
154I97.9Very high95.7Very high0 Ų021.1 Ų21.10%011%0.111CC..EExtended strand (participates in β ladder)trans-118.8143.8169.754.8178000111.2F14 V17 F146 F147 A148 L183 V609 A610 T611F14-I154 HydrophobicContact CB-CG2 3.49Å; F14-I154 VanDerWaalsContact CB-CG2 3.49Å; F14-I154 HydrophobicContact CD1-CD1 4.06Å; F14-I154 HydrophobicContact CD1-CG2 3.95Å; F14-I154 HydrophobicContact CD2-CB 4.26Å; F14-I154 HydrophobicContact CD2-CG1 4.13Å; F14-I154 HydrophobicContact CD2-CG2 3.55Å; F14-I154 HydrophobicContact CE1-CD1 3.72Å; F14-I154 HydrophobicContact CE1-CG1 4.26Å; F14-I154 HydrophobicContact CE2-CB 4.44Å; F14-I154 HydrophobicContact CE2-CD1 4.21Å; F14-I154 HydrophobicContact CE2-CG1 3.83Å; F14-I154 HydrophobicContact CE2-CG2 4.17Å; F14-I154 HydrophobicContact CG-CB 4.47Å; F14-I154 HydrophobicContact CG-CD1 4.47Å; F14-I154 HydrophobicContact CG-CG1 4.46Å; F14-I154 HydrophobicContact CG-CG2 3.41Å; F14-I154 VanDerWaalsContact CG-CG2 3.41Å; F14-I154 HydrophobicContact CZ-CD1 3.78Å; F14-I154 HydrophobicContact CZ-CG1 3.9Å; V17-I154 HydrophobicContact CG2-CG2 4.44Å; F146-I154 HydrophobicContact CB-CB 4.14Å; F146-I154 HydrophobicContact CB-CD1 4.26Å; F146-I154 HydrophobicContact CD1-CB 4.06Å; F146-I154 HydrophobicContact CD1-CD1 3.77Å; F146-I154 HydrophobicContact CD1-CG1 3.91Å; F146-I154 HydrophobicContact CD2-CD1 3.97Å; F146-I154 HydrophobicContact CE1-CD1 3.97Å; F146-I154 HydrophobicContact CE1-CG1 4.2Å; F146-I154 HydrophobicContact CE2-CD1 4.16Å; F146-I154 HydrophobicContact CG-CB 4.29Å; F146-I154 HydrophobicContact CG-CD1 3.75Å; F146-I154 HydrophobicContact CG-CG1 4.28Å; F146-I154 HydrophobicContact CZ-CD1 4.13Å; F147-I154 WeakPolarHBondContact O-CA 3.3Å; A148-I154 HydrophobicContact CB-CG2 4.16Å; I154-L183 HydrophobicContact CD1-CD1 4.05Å; I154-L183 HydrophobicContact CD1-CD2 3.81Å; I154-V609 PolarHBondContact N-O 3.42Å; I154-A610 HydrophobicContact CD1-CB 4.07Å; I154-A610 HydrophobicContact CG1-CB 3.79Å; I154-A610 CarbonylContact O-C 3.43Å; I154-A610 WeakPolarHBondContact O-CA 3.48Å; I154-T611 PolarHBondContact O-N 3.46Å
155S98.1Very high95.6Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-129.9144.1179.61770000110.5F146 F147 E157 T611F146-S155 CarbonylContact C-O 3.55Å; F146-S155 WeakPolarHBondContact CA-O 3.25Å; F147-S155 WeakPolarHBondContact CD2-O 3.32Å; F147-S155 PolarHBondContact N-O 3.09Å; F147-S155 PolarHBondContact O-N 3.34Å; S155-E157 WeakPolarHBondContact CB-OE1 3.39Å; S155-E157 PolarHBondContact OG-N 3.29Å; S155-E157 PolarHBondContact OG-OE1 2.76Å; S155-T611 WeakPolarHBondContact CA-O 3.34Å
156M97.6Very high95.5Very high4 Ų421.8 Ų21.82%0.0212%0.117CC..  trans-81.3-9.3169-53.7174.971.700112.2R86 Y145 F146 I158 T175 V176 A179 F583 T611 T612R86-M156 PolarHBondContact NH2-O 3.24Å; Y145-M156 WeakPolarHBondContact O-CA 3.49Å; Y145-M156 WeakPolarHBondContact O-CB 3.38Å; Y145-M156 WeakPolarHBondContact O-CG 3.16Å; F146-M156 HydrophobicContact CD1-CG 3.74Å; F146-M156 HydrophobicContact CE1-CG 3.58Å; F146-M156 HydrophobicContact CE1-SD 4.45Å; F146-M156 HydrophobicContact CZ-CG 4.42Å; M156-I158 HydrophobicContact CB-CD1 4.18Å; M156-I158 HydrophobicContact CB-CG1 3.65Å; M156-I158 HydrophobicContact CE-CD1 3.96Å; M156-I158 VanDerWaalsContact O-CG1 3.28Å; M156-I158 WeakPolarHBondContact O-CG1 3.37Å; M156-I158 PolarHBondContact O-N 3.01Å; M156-T175 HydrophobicContact CE-CG2 3.41Å; M156-T175 VanDerWaalsContact CE-CG2 3.41Å; M156-V176 HydrophobicContact CE-CG2 4.47Å; M156-V176 HydrophobicContact SD-CG2 4Å; M156-A179 HydrophobicContact CE-CB 4.21Å; M156-F583 HydrophobicContact SD-CZ 3.74Å; M156-T611 PolarHBondContact N-O 3.12Å; M156-T612 CarbonylContact C-O 3.58Å; M156-T612 HydrophobicContact SD-CG2 4.28Å
157E96.3Very high95.3Very high18 Ų1826.8 Ų26.88%0.08414%0.144CC..  trans50.442.5-174.9-60-69.7106.700111.7P47 R86 F147 S155 C257 T612 N613P47-E157 HydrophobicContact CB-CB 4.45Å; P47-E157 HydrophobicContact CB-CG 4.18Å; P47-E157 HydrophobicContact CG-CB 3.92Å; P47-E157 HydrophobicContact CG-CG 3.94Å; R86-E157 PolarHBondContact NH1-O 3.16Å; R86-E157 PolarHBondContact NH2-O 2.99Å; F147-E157 HydrophobicContact CD2-CB 4.19Å; F147-E157 HydrophobicContact CD2-CG 3.79Å; F147-E157 HydrophobicContact CE2-CB 4.37Å; F147-E157 HydrophobicContact CE2-CG 4.42Å; F147-E157 HydrophobicContact CG-CG 4.43Å; S155-E157 WeakPolarHBondContact CB-OE1 3.39Å; S155-E157 PolarHBondContact OG-N 3.29Å; S155-E157 PolarHBondContact OG-OE1 2.76Å; E157-C257 PolarHBondContact OE2-SG 2.88Å; E157-T612 PolarHBondContact N-O 3.44Å; E157-N613 PolarHBondContact OE1-OD1 3.07Å
158I93.9Very high95Very high36 Ų3632 Ų3219%0.18517%0.172CC..  trans-114.5114.9177.5-37.8-157000109.9R86 M156 A160 T175 T612R86-I158 VanDerWaalsContact NH1-CG1 3.34Å; M156-I158 HydrophobicContact CB-CD1 4.18Å; M156-I158 HydrophobicContact CB-CG1 3.65Å; M156-I158 HydrophobicContact CE-CD1 3.96Å; M156-I158 VanDerWaalsContact O-CG1 3.28Å; M156-I158 WeakPolarHBondContact O-CG1 3.37Å; M156-I158 PolarHBondContact O-N 3.01Å; I158-A160 PolarHBondContact O-N 3.45Å; I158-T175 HydrophobicContact CD1-CG2 4.36Å; I158-T612 PolarHBondContact N-O 3.26Å; I158-T612 CarbonylContact O-C 3.57Å
159D91.9Very high94.7Very high104 Ų10432.3 Ų32.356%0.55617%0.171SC*.  trans-71.672.6170.6-67.3-47.4000111.9N613D159-N613 PolarHBondContact OD1-ND2 2.89Å
160A93.1Very high94.4Very high6 Ų636.4 Ų36.45%0.0519%0.192CC..  trans-83.2-25.9-177.100000113.5I158 S163 I164 T612I158-A160 PolarHBondContact O-N 3.45Å; A160-S163 PolarHBondContact O-N 3.48Å; A160-S163 PolarHBondContact O-OG 2.95Å; A160-I164 HydrophobicContact CB-CD1 3.88Å; A160-I164 WeakPolarHBondContact O-CB 3.22Å; A160-I164 WeakPolarHBondContact O-CD1 3.38Å; A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 3.42Å; A160-T612 HydrophobicContact CB-CG2 4.46Å
161L95.8Very high94.1Very high5 Ų544 Ų443%0.02622%0.22CC..Hα-helixtrans-62.5-43.4-170.7-174.261.6000114.8S163 I164 L165 R231 V232 G586 I615 L620L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.41Å; L161-I164 PolarHBondContact O-N 3.4Å; L161-L165 HydrophobicContact CD1-CD1 3.95Å; L161-L165 HydrophobicContact CD1-CD2 4.21Å; L161-L165 HydrophobicContact CD1-CG 3.77Å; L161-L165 HydrophobicContact CD2-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 3.76Å; L161-L165 HydrophobicContact CG-CG 4.05Å; L161-L165 WeakPolarHBondContact O-CB 3.38Å; L161-L165 VanDerWaalsContact O-CG 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 3.07Å; L161-R231 HydrophobicContact CD1-CB 4Å; L161-R231 HydrophobicContact CD1-CG 4.09Å; L161-R231 HydrophobicContact CD2-CB 4.46Å; L161-R231 HydrophobicContact CD2-CG 3.74Å; L161-V232 HydrophobicContact CD1-CG1 4.25Å; L161-G586 VanDerWaalsContact CB-O 3.29Å; L161-G586 WeakPolarHBondContact CB-O 3.24Å; L161-G586 WeakPolarHBondContact CD2-O 3.5Å; L161-I615 HydrophobicContact CD2-CD1 4.02Å; L161-L620 HydrophobicContact CB-CD1 4.37Å; L161-L620 HydrophobicContact CD2-CD1 3.77Å; L161-L620 HydrophobicContact CD2-CD2 3.63Å; L161-L620 HydrophobicContact CD2-CG 4.28Å; L161-L620 HydrophobicContact CG-CD1 4Å
162P94.8Very high94Very high18 Ų1839.7 Ų39.712%0.11720%0.202CC..Hα-helixtrans-59.4-43.4-179.1-24.435.1000112.6L165 V166 L620 S623 F624P162-L165 PolarHBondContact O-N 2.94Å; P162-V166 WeakPolarHBondContact O-CB 3.34Å; P162-V166 WeakPolarHBondContact O-CG2 3.48Å; P162-V166 PolarHBondContact O-N 2.87Å; P162-L620 HydrophobicContact CG-CD1 4.04Å; P162-S623 WeakPolarHBondContact CB-OG 3.38Å; P162-S623 WeakPolarHBondContact CG-OG 3.48Å; P162-F624 HydrophobicContact CB-CE1 4.09Å; P162-F624 HydrophobicContact CB-CZ 4.11Å
163S93Very high94Very high31 Ų3139.3 Ų39.322%0.21720%0.2CC..Hα-helixtrans-73.7-32.9178.365.30000112.7A160 L161 D167 N168 D169A160-S163 PolarHBondContact O-N 3.48Å; A160-S163 PolarHBondContact O-OG 2.95Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.41Å; S163-D167 WeakPolarHBondContact O-CA 3.18Å; S163-D167 PolarHBondContact O-N 3.17Å; S163-N168 PolarHBondContact O-N 3.17Å; S163-D169 WeakPolarHBondContact CB-OD2 3.27Å; S163-D169 WeakPolarHBondContact O-CB 3.25Å; S163-D169 PolarHBondContact O-N 2.83Å; S163-D169 WeakPolarHBondContact OG-CB 3.5Å; S163-D169 PolarHBondContact OG-OD2 2.82Å
164I95.4Very high93.9Very high10 Ų1043.4 Ų43.45%0.05122%0.222CC..Hα-helixtrans-60.5-47.6170.6-72.5165.9000110.6A160 L161 N168 D169 T172 I199 V232 V585A160-I164 HydrophobicContact CB-CD1 3.88Å; A160-I164 WeakPolarHBondContact O-CB 3.22Å; A160-I164 WeakPolarHBondContact O-CD1 3.38Å; A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 3.42Å; L161-I164 PolarHBondContact O-N 3.4Å; I164-N168 WeakPolarHBondContact O-CA 3.39Å; I164-N168 PolarHBondContact O-N 2.93Å; I164-N168 VanDerWaalsContact O-N 3.12Å; I164-D169 WeakPolarHBondContact CG1-O 3.37Å; I164-T172 HydrophobicContact CD1-CG2 4.05Å; I164-I199 HydrophobicContact CB-CD1 4.3Å; I164-I199 HydrophobicContact CD1-CD1 3.96Å; I164-I199 HydrophobicContact CG1-CD1 3.87Å; I164-I199 HydrophobicContact CG2-CD1 3.48Å; I164-I199 VanDerWaalsContact CG2-CD1 3.48Å; I164-V232 HydrophobicContact CG2-CG1 4.03Å; I164-V585 HydrophobicContact CD1-CG1 4.47Å
165L95.9Very high93.8Very high22 Ų2244 Ų4412%0.11523%0.226CC..Hα-helixtrans-68.7-43-176.9-71175.4000112.3L161 P162 V232 L235 A485 L487 L620 F624L161-L165 HydrophobicContact CD1-CD1 3.95Å; L161-L165 HydrophobicContact CD1-CD2 4.21Å; L161-L165 HydrophobicContact CD1-CG 3.77Å; L161-L165 HydrophobicContact CD2-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 3.76Å; L161-L165 HydrophobicContact CG-CG 4.05Å; L161-L165 WeakPolarHBondContact O-CB 3.38Å; L161-L165 VanDerWaalsContact O-CG 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 3.07Å; P162-L165 PolarHBondContact O-N 2.94Å; L165-V232 HydrophobicContact CD2-CG1 3.64Å; L165-L235 HydrophobicContact CD1-CD2 4.44Å; L165-L235 HydrophobicContact CD2-CD1 3.84Å; L165-L235 HydrophobicContact CD2-CD2 4.17Å; L165-A485 HydrophobicContact CB-CB 3.74Å; L165-A485 HydrophobicContact CD1-CB 4.4Å; L165-L487 HydrophobicContact CD1-CD1 4.1Å; L165-L487 HydrophobicContact CD1-CG 4.37Å; L165-L620 HydrophobicContact CD1-CD1 4.36Å; L165-L620 HydrophobicContact CD1-CD2 4.47Å; L165-F624 HydrophobicContact CD1-CZ 4.34Å
166V94.1Very high93.7Very high19 Ų1944 Ų4412%0.11523%0.226CC..Hα-helixtrans-81.2-56.4-175.8175.80000110.5P162 L481 K484 A485 F624P162-V166 WeakPolarHBondContact O-CB 3.34Å; P162-V166 WeakPolarHBondContact O-CG2 3.48Å; P162-V166 PolarHBondContact O-N 2.87Å; V166-L481 HydrophobicContact CG1-CD2 4.04Å; V166-L481 HydrophobicContact CG2-CD2 4.5Å; V166-K484 HydrophobicContact CG1-CD 3.72Å; V166-K484 VanDerWaalsContact CG1-CE 3.4Å; V166-K484 HydrophobicContact CG1-CG 4.12Å; V166-K484 WeakPolarHBondContact O-CE 3.35Å; V166-A485 HydrophobicContact CG2-CB 4.12Å; V166-F624 HydrophobicContact CG2-CD1 4.31Å; V166-F624 HydrophobicContact CG2-CE1 3.54Å; V166-F624 HydrophobicContact CG2-CZ 4.42Å
167D92.1Very high93.7Very high107 Ų10743.8 Ų43.857%0.57223%0.225SC*.Hα-helixtrans-105.16.1-167.8-63-43.9000113.9S163 D169 K484S163-D167 WeakPolarHBondContact O-CA 3.18Å; S163-D167 PolarHBondContact O-N 3.17Å; D167-D169 PolarHBondContact O-N 3.1Å; D167-K484 IonicContact OD1-NZ 2.72Å; D167-K484 PolarHBondContact OD1-NZ 3.45Å
168N91.3Very high93.7Very high114 Ų11445.9 Ų45.961%0.6124%0.235SC*.  trans50.643-170.6-166.532.7000111.1S163 I164 I170S163-N168 PolarHBondContact O-N 3.17Å; I164-N168 WeakPolarHBondContact O-CA 3.39Å; I164-N168 PolarHBondContact O-N 2.93Å; I164-N168 VanDerWaalsContact O-N 3.12Å; N168-I170 WeakPolarHBondContact O-CG2 3.39Å; N168-I170 PolarHBondContact O-N 3.3Å
169D89.6Confident93.8Very high23 Ų2344.2 Ų44.212%0.12323%0.226CC..  trans-66.9105.6-172.6-179.98.6000112.5S163 I164 D167 R171S163-D169 WeakPolarHBondContact CB-OD2 3.27Å; S163-D169 WeakPolarHBondContact O-CB 3.25Å; S163-D169 PolarHBondContact O-N 2.83Å; S163-D169 WeakPolarHBondContact OG-CB 3.5Å; S163-D169 PolarHBondContact OG-OD2 2.82Å; I164-D169 WeakPolarHBondContact CG1-O 3.37Å; D167-D169 PolarHBondContact O-N 3.1Å; D169-R171 VanDerWaalsContact CG-NE 3.28Å; D169-R171 PolarHBondContact O-N 3.29Å; D169-R171 VanDerWaalsContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CB 3.34Å; D169-R171 WeakPolarHBondContact OD1-CG 3.43Å; D169-R171 IonicContact OD1-CZ 3.25Å; D169-R171 PolarHBondContact OD1-N 3.17Å; D169-R171 IonicContact OD1-NE 3.4Å; D169-R171 PolarHBondContact OD1-NE 2.95Å; D169-R171 IonicContact OD1-NH2 2.91Å; D169-R171 IonicContact OD2-CZ 2.84Å; D169-R171 VanDerWaalsContact OD2-CZ 3.23Å; D169-R171 IonicContact OD2-NE 3.93Å; D169-R171 PolarHBondContact OD2-NE 3.22Å; D169-R171 IonicContact OD2-NH2 3.33Å; D169-R171 PolarHBondContact OD2-NH2 3.13Å
170I89.8Confident94.1Very high103 Ų10339.2 Ų39.253%0.52820%0.199SC..THydrogen-bonded Turntrans-85.51.1-177.961.2167.5000114.4N168 T172 I173N168-I170 WeakPolarHBondContact O-CG2 3.39Å; N168-I170 PolarHBondContact O-N 3.3Å; I170-T172 PolarHBondContact O-N 3.12Å; I170-T172 VanDerWaalsContact O-N 3.15Å; I170-I173 HydrophobicContact CB-CD1 3.59Å; I170-I173 HydrophobicContact CB-CG1 4.36Å; I170-I173 HydrophobicContact CG2-CD1 3.9Å; I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.22Å; I170-I173 VanDerWaalsContact O-CG1 3.28Å; I170-I173 WeakPolarHBondContact O-CG1 3.36Å; I170-I173 PolarHBondContact O-N 3.39Å
171R89.2Confident94.1Very high172 Ų17239.3 Ų39.365%0.64920%0.199SC*.THydrogen-bonded Turntrans-60.5-28.2-176.3-69.2175-65.1-177.70.9113.1D169 I173D169-R171 VanDerWaalsContact CG-NE 3.28Å; D169-R171 PolarHBondContact O-N 3.29Å; D169-R171 VanDerWaalsContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CB 3.34Å; D169-R171 WeakPolarHBondContact OD1-CG 3.43Å; D169-R171 IonicContact OD1-CZ 3.25Å; D169-R171 PolarHBondContact OD1-N 3.17Å; D169-R171 IonicContact OD1-NE 3.4Å; D169-R171 PolarHBondContact OD1-NE 2.95Å; D169-R171 IonicContact OD1-NH2 2.91Å; D169-R171 IonicContact OD2-CZ 2.84Å; D169-R171 VanDerWaalsContact OD2-CZ 3.23Å; D169-R171 IonicContact OD2-NE 3.93Å; D169-R171 PolarHBondContact OD2-NE 3.22Å; D169-R171 IonicContact OD2-NH2 3.33Å; D169-R171 PolarHBondContact OD2-NH2 3.13Å; R171-I173 PolarHBondContact O-N 3.2Å
172T91.4Very high93.9Very high12 Ų1240 Ų407%0.07420%0.202CC..Hα-helixtrans-63.3-28.7178.2-159.50000112.6I164 I170 N174 T175 V176 I199 V585I164-T172 HydrophobicContact CD1-CG2 4.05Å; I170-T172 PolarHBondContact O-N 3.12Å; I170-T172 VanDerWaalsContact O-N 3.15Å; T172-N174 PolarHBondContact O-N 2.89Å; T172-T175 WeakPolarHBondContact O-CB 3.48Å; T172-T175 PolarHBondContact O-N 2.99Å; T172-V176 WeakPolarHBondContact O-CG2 3.38Å; T172-V176 PolarHBondContact O-N 3.07Å; T172-I199 HydrophobicContact CG2-CG2 4.18Å; T172-V585 HydrophobicContact CG2-CG1 4.02Å
173I96.1Very high93.9Very high15 Ų1539.2 Ų39.28%0.07720%0.196CC..Hα-helixtrans-53.5-52.9-172.3-67.7173.6000111.9I170 R171 T175 V176 A177 I199 E202 V203I170-I173 HydrophobicContact CB-CD1 3.59Å; I170-I173 HydrophobicContact CB-CG1 4.36Å; I170-I173 HydrophobicContact CG2-CD1 3.9Å; I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.22Å; I170-I173 VanDerWaalsContact O-CG1 3.28Å; I170-I173 WeakPolarHBondContact O-CG1 3.36Å; I170-I173 PolarHBondContact O-N 3.39Å; R171-I173 PolarHBondContact O-N 3.2Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 2.82Å; I173-V176 PolarHBondContact O-N 3.17Å; I173-A177 WeakPolarHBondContact O-CB 3.49Å; I173-A177 PolarHBondContact O-N 3.36Å; I173-I199 HydrophobicContact CD1-CG2 4.34Å; I173-I199 HydrophobicContact CG1-CG2 3.7Å; I173-E202 HydrophobicContact CD1-CB 3.69Å; I173-E202 HydrophobicContact CD1-CG 4.41Å; I173-E202 HydrophobicContact CG1-CB 4.47Å; I173-E202 HydrophobicContact CG2-CB 4.27Å; I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG1-CG2 4.32Å; I173-V203 HydrophobicContact CG2-CG2 4.16Å
174N94.4Very high93.8Very high93 Ų9338 Ų3850%0.49719%0.187SC..Hα-helixtrans-68.8-33.5-177.8-70.6-27.9000111.8T172 A177 Q178 S206T172-N174 PolarHBondContact O-N 2.89Å; N174-A177 PolarHBondContact O-N 2.64Å; N174-Q178 WeakPolarHBondContact O-CB 3.39Å; N174-Q178 VanDerWaalsContact O-CG 3.3Å; N174-Q178 WeakPolarHBondContact O-CG 3.46Å; N174-Q178 PolarHBondContact O-N 3.03Å; N174-S206 PolarHBondContact OD1-OG 3.47Å
175T95.3Very high93.5Very high12 Ų1241.8 Ų41.87%0.07421%0.205CC..Hα-helixtrans-67.1-45177.6-44.30000110.4P117 H118 Y145 M156 I158 T172 I173 Q178 A179P117-T175 HydrophobicContact CG-CG2 4.02Å; H118-T175 PolarHBondContact CE1-OG1 3.45Å; H118-T175 VanDerWaalsContact CE1-OG1 3.31Å; Y145-T175 HydrophobicContact CD1-CG2 4.37Å; M156-T175 HydrophobicContact CE-CG2 3.41Å; M156-T175 VanDerWaalsContact CE-CG2 3.41Å; I158-T175 HydrophobicContact CD1-CG2 4.36Å; T172-T175 WeakPolarHBondContact O-CB 3.48Å; T172-T175 PolarHBondContact O-N 2.99Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 2.82Å; T175-Q178 PolarHBondContact O-N 2.93Å; T175-A179 VanDerWaalsContact O-CB 3.3Å; T175-A179 WeakPolarHBondContact O-CB 3.33Å; T175-A179 PolarHBondContact O-N 3.19Å
176V97.6Very high93.2Very high0 Ų041.1 Ų41.10%020%0.202CC..Hα-helixtrans-64.1-43.8175.81740000110.9M156 T172 I173 Q178 A179 L180 V203 F583 T612M156-V176 HydrophobicContact CE-CG2 4.47Å; M156-V176 HydrophobicContact SD-CG2 4Å; T172-V176 WeakPolarHBondContact O-CG2 3.38Å; T172-V176 PolarHBondContact O-N 3.07Å; I173-V176 PolarHBondContact O-N 3.17Å; V176-Q178 PolarHBondContact O-N 3.16Å; V176-A179 WeakPolarHBondContact O-CB 3.31Å; V176-A179 PolarHBondContact O-N 2.95Å; V176-L180 HydrophobicContact CG1-CD1 4.08Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.16Å; V176-L180 PolarHBondContact O-N 3.34Å; V176-V203 HydrophobicContact CB-CG1 4.24Å; V176-V203 HydrophobicContact CB-CG2 4.08Å; V176-V203 HydrophobicContact CG1-CB 4.44Å; V176-V203 HydrophobicContact CG1-CG1 3.52Å; V176-V203 HydrophobicContact CG1-CG2 3.98Å; V176-F583 HydrophobicContact CB-CZ 4.21Å; V176-F583 HydrophobicContact CG1-CD1 4.3Å; V176-F583 HydrophobicContact CG1-CD2 4.33Å; V176-F583 HydrophobicContact CG1-CE1 3.8Å; V176-F583 HydrophobicContact CG1-CE2 3.73Å; V176-F583 HydrophobicContact CG1-CZ 3.5Å; V176-F583 HydrophobicContact CG2-CE1 4.07Å; V176-F583 HydrophobicContact CG2-CZ 3.9Å; V176-T612 HydrophobicContact CG2-CG2 4.22Å
177A97.3Very high93.1Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-61-42.2177.600000112.7I173 N174 L181 W207 L210I173-A177 WeakPolarHBondContact O-CB 3.49Å; I173-A177 PolarHBondContact O-N 3.36Å; N174-A177 PolarHBondContact O-N 2.64Å; A177-L181 PolarHBondContact O-N 3.39Å; A177-L181 VanDerWaalsContact O-N 3.11Å; A177-W207 HydrophobicContact CB-CB 3.93Å; A177-L210 HydrophobicContact CB-CD1 4.01Å
178Q95.7Very high92.9Very high62 Ų6235.3 Ų35.329%0.2917%0.17SC..Hα-helixtrans-67.1-39.4173.7-73175.4-5.900112.2Y145 N174 T175 V176 L181 H182 L210Y145-Q178 HydrophobicContact CE1-CB 3.66Å; Y145-Q178 PolarHBondContact OH-OE1 2.98Å; N174-Q178 WeakPolarHBondContact O-CB 3.39Å; N174-Q178 VanDerWaalsContact O-CG 3.3Å; N174-Q178 WeakPolarHBondContact O-CG 3.46Å; N174-Q178 PolarHBondContact O-N 3.03Å; T175-Q178 PolarHBondContact O-N 2.93Å; V176-Q178 PolarHBondContact O-N 3.16Å; Q178-L181 WeakPolarHBondContact O-CB 3.34Å; Q178-L181 PolarHBondContact O-N 3.23Å; Q178-H182 PolarHBondContact O-N 3.05Å; Q178-L210 HydrophobicContact CG-CD1 3.93Å
179A96.6Very high92.9Very high0 Ų030.9 Ų30.90%015%0.147CC..Hα-helixtrans-62.4-43176.900000111.7Y145 F146 M156 T175 V176 H182 L183Y145-A179 HydrophobicContact CD1-CB 3.84Å; Y145-A179 HydrophobicContact CG-CB 3.87Å; F146-A179 HydrophobicContact CD2-CB 4.35Å; F146-A179 HydrophobicContact CE2-CB 3.54Å; F146-A179 HydrophobicContact CZ-CB 3.72Å; M156-A179 HydrophobicContact CE-CB 4.21Å; T175-A179 VanDerWaalsContact O-CB 3.3Å; T175-A179 WeakPolarHBondContact O-CB 3.33Å; T175-A179 PolarHBondContact O-N 3.19Å; V176-A179 WeakPolarHBondContact O-CB 3.31Å; V176-A179 PolarHBondContact O-N 2.95Å; A179-H182 PolarHBondContact O-N 2.89Å; A179-L183 PolarHBondContact O-N 2.98Å
180L96.7Very high93Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-62.8-40.4174.2-75.3168.9000112.1V176 H182 L183 E184 V203 W207 V226 I228 L581 F583V176-L180 HydrophobicContact CG1-CD1 4.08Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.16Å; V176-L180 PolarHBondContact O-N 3.34Å; L180-H182 VanDerWaalsContact C-N 3.35Å; L180-H182 PolarHBondContact O-N 2.92Å; L180-L183 HydrophobicContact CD2-CD1 4.5Å; L180-L183 WeakPolarHBondContact O-CB 3.28Å; L180-L183 PolarHBondContact O-N 3.13Å; L180-E184 PolarHBondContact O-N 2.8Å; L180-E184 VanDerWaalsContact O-N 3.11Å; L180-V203 HydrophobicContact CD1-CG1 3.76Å; L180-W207 HydrophobicContact CB-CD2 3.89Å; L180-W207 HydrophobicContact CB-CE3 4.31Å; L180-W207 HydrophobicContact CB-CG 4.3Å; L180-W207 HydrophobicContact CB-CH2 4.26Å; L180-W207 HydrophobicContact CB-CZ2 3.78Å; L180-W207 HydrophobicContact CD1-CD2 4.11Å; L180-W207 HydrophobicContact CD1-CE3 3.79Å; L180-W207 HydrophobicContact CD1-CZ3 4.05Å; L180-W207 HydrophobicContact CD2-CH2 4.37Å; L180-V226 HydrophobicContact CD2-CG2 4.25Å; L180-I228 HydrophobicContact CD1-CD1 3.75Å; L180-L581 HydrophobicContact CD2-CD2 4.08Å; L180-F583 HydrophobicContact CD2-CD2 3.77Å; L180-F583 HydrophobicContact CD2-CE2 4.28Å; L180-F583 HydrophobicContact CG-CD2 4.17Å; L180-F583 HydrophobicContact CG-CE2 4.27Å
181L94Very high93Very high7 Ų725.9 Ų25.94%0.03713%0.127CC..Hα-helixtrans-60.6-44.3173.8-16068.6000111.9A177 Q178 L183 E184 E185 L210 R211 I216A177-L181 PolarHBondContact O-N 3.39Å; A177-L181 VanDerWaalsContact O-N 3.11Å; Q178-L181 WeakPolarHBondContact O-CB 3.34Å; Q178-L181 PolarHBondContact O-N 3.23Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.88Å; L181-E184 WeakPolarHBondContact O-CB 3.26Å; L181-E184 PolarHBondContact O-N 3.43Å; L181-E185 PolarHBondContact O-N 3.1Å; L181-L210 HydrophobicContact CD2-CB 4.02Å; L181-R211 HydrophobicContact CD1-CG 3.74Å; L181-I216 HydrophobicContact CD1-CD1 3.29Å; L181-I216 HydrophobicContact CD2-CD1 4.35Å; L181-I216 HydrophobicContact CG-CD1 3.87Å
182H92.6Very high93.2Very high20 Ų2021.4 Ų21.49%0.09311%0.109CC..Hα-helixtrans-64.3-32176.9-173.8-97000112.4Y145 Q178 A179 L180 E185 T186Y145-H182 HydrophobicContact CD2-CB 4Å; Y145-H182 HydrophobicContact CE2-CB 4.23Å; Q178-H182 PolarHBondContact O-N 3.05Å; A179-H182 PolarHBondContact O-N 2.89Å; L180-H182 VanDerWaalsContact C-N 3.35Å; L180-H182 PolarHBondContact O-N 2.92Å; H182-E185 IonicContact CD2-OE2 2.83Å; H182-T186 PolarHBondContact O-N 2.96Å; H182-T186 PolarHBondContact O-OG1 2.86Å
183L93.9Very high93.4Very high1 Ų120.8 Ų20.81%0.00511%0.106CC..Hα-helixtrans-66.3-38.1170.7-73.6173.8000111.9V17 F146 I154 A179 L180 L181 T186 F187 L581V17-L183 HydrophobicContact CG2-CD2 4.26Å; F146-L183 HydrophobicContact CD2-CD1 4.35Å; F146-L183 HydrophobicContact CD2-CD2 4.15Å; F146-L183 HydrophobicContact CD2-CG 4.14Å; F146-L183 HydrophobicContact CE2-CD1 3.49Å; F146-L183 VanDerWaalsContact CE2-CD1 3.49Å; F146-L183 HydrophobicContact CE2-CD2 4.07Å; F146-L183 HydrophobicContact CE2-CG 3.59Å; F146-L183 HydrophobicContact CZ-CD1 3.78Å; F146-L183 HydrophobicContact CZ-CG 4.38Å; I154-L183 HydrophobicContact CD1-CD1 4.05Å; I154-L183 HydrophobicContact CD1-CD2 3.81Å; A179-L183 PolarHBondContact O-N 2.98Å; L180-L183 HydrophobicContact CD2-CD1 4.5Å; L180-L183 WeakPolarHBondContact O-CB 3.28Å; L180-L183 PolarHBondContact O-N 3.13Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.88Å; L183-T186 PolarHBondContact O-N 2.84Å; L183-T186 VanDerWaalsContact O-N 3.12Å; L183-F187 HydrophobicContact CB-CD2 4.49Å; L183-F187 HydrophobicContact CD2-CD2 3.86Å; L183-F187 HydrophobicContact CD2-CE2 3.71Å; L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 2.72Å; L183-L581 HydrophobicContact CD1-CD2 3.75Å
184E91.2Very high93.4Very high5 Ų520.6 Ų20.62%0.02310%0.104CC..Hα-helixtrans-66.3-39.9175.4-64.2-170.4103.900112.7L180 L181 T186 G188 T189 I190 W207 R211L180-E184 PolarHBondContact O-N 2.8Å; L180-E184 VanDerWaalsContact O-N 3.11Å; L181-E184 WeakPolarHBondContact O-CB 3.26Å; L181-E184 PolarHBondContact O-N 3.43Å; E184-T186 PolarHBondContact O-N 3.43Å; E184-G188 VanDerWaalsContact CA-O 3.28Å; E184-G188 WeakPolarHBondContact CA-O 3.37Å; E184-G188 CarbonylContact O-C 3.52Å; E184-G188 VanDerWaalsContact O-CA 3.27Å; E184-G188 WeakPolarHBondContact O-CA 3.3Å; E184-G188 PolarHBondContact O-N 2.77Å; E184-T189 WeakPolarHBondContact OE1-CA 3.38Å; E184-I190 HydrophobicContact CG-CD1 4.17Å; E184-I190 HydrophobicContact CG-CG1 4.19Å; E184-I190 PolarHBondContact OE1-N 3.28Å; E184-W207 HydrophobicContact CG-CZ2 3.88Å; E184-W207 WeakPolarHBondContact OE2-CZ2 3.45Å; E184-W207 PolarHBondContact OE2-NE1 3.19Å; E184-R211 VanDerWaalsContact CD-CZ 3.42Å; E184-R211 IonicContact OE1-CZ 2.93Å; E184-R211 IonicContact OE1-NE 2.85Å; E184-R211 PolarHBondContact OE1-NE 3.1Å; E184-R211 IonicContact OE1-NH1 2.78Å; E184-R211 IonicContact OE1-NH2 3.62Å; E184-R211 PolarHBondContact OE1-NH2 3.15Å; E184-R211 IonicContact OE2-CZ 3.82Å; E184-R211 VanDerWaalsContact OE2-CZ 3.23Å; E184-R211 IonicContact OE2-NE 2.64Å; E184-R211 PolarHBondContact OE2-NE 3.2Å; E184-R211 IonicContact OE2-NH2 3.34Å; E184-R211 PolarHBondContact OE2-NH2 3.18Å
185E89.5Confident93.6Very high90 Ų9016.1 Ų16.142%0.4218%0.081SC..Hα-helixtrans-60.4-25.2172.9-68.6177173.100112.2R6 L181 H182R6-E185 PolarHBondContact NH2-O 3.31Å; L181-E185 PolarHBondContact O-N 3.1Å; H182-E185 IonicContact CD2-OE2 2.83Å
186T89.9Confident93.8Very high9 Ų915.6 Ų15.66%0.0558%0.077CC..Hα-helixtrans-90.3-52179.6-56.70000112.2R6 V16 V20 H182 L183 E184R6-T186 PolarHBondContact NH2-O 3.29Å; R6-T186 VanDerWaalsContact NH2-O 3.16Å; V16-T186 HydrophobicContact CB-CG2 4.48Å; V16-T186 HydrophobicContact CG1-CG2 3.56Å; V20-T186 HydrophobicContact CG2-CG2 4.45Å; H182-T186 PolarHBondContact O-N 2.96Å; H182-T186 PolarHBondContact O-OG1 2.86Å; L183-T186 PolarHBondContact O-N 2.84Å; L183-T186 VanDerWaalsContact O-N 3.12Å; E184-T186 PolarHBondContact O-N 3.43Å
187F90.9Very high93.7Very high3 Ų315.6 Ų15.61%0.0138%0.078CC..Hα-helixtrans-109.5-1.4-167.5-64.3-71.6000114.9A12 F14 V16 V17 L183 L222 I223A12-F187 HydrophobicContact CB-CD1 4.05Å; A12-F187 HydrophobicContact CB-CE1 4.21Å; F14-F187 AromaticContact CD1-CE2 3.94Å; F14-F187 HydrophobicContact CD1-CE2 3.94Å; F14-F187 AromaticContact CD1-CZ 3.8Å; F14-F187 HydrophobicContact CD1-CZ 3.8Å; F14-F187 HydrophobicContact CE1-CE2 4.11Å; F14-F187 HydrophobicContact CE1-CZ 4.31Å; V16-F187 HydrophobicContact CB-CE1 4.32Å; V16-F187 HydrophobicContact CB-CZ 4.22Å; V17-F187 HydrophobicContact CG2-CE2 3.72Å; V17-F187 HydrophobicContact CG2-CZ 3.92Å; L183-F187 HydrophobicContact CB-CD2 4.49Å; L183-F187 HydrophobicContact CD2-CD2 3.86Å; L183-F187 HydrophobicContact CD2-CE2 3.71Å; L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 2.72Å; F187-L222 HydrophobicContact CB-CB 4.31Å; F187-L222 HydrophobicContact CD1-CB 4.48Å; F187-L222 HydrophobicContact CD1-CD1 4.1Å; F187-L222 WeakPolarHBondContact O-CB 3.45Å; F187-L222 PolarHBondContact O-N 2.66Å; F187-I223 HydrophobicContact CB-CD1 3.87Å; F187-I223 HydrophobicContact CB-CG1 4.1Å; F187-I223 HydrophobicContact CD2-CD1 3.96Å; F187-I223 HydrophobicContact CG-CD1 3.94Å; F187-I223 HydrophobicContact CG-CG1 4.45Å
188G88.6Confident93.7Very high0 Ų020.6 Ų20.60%010%0.104CC..  trans97.7171.9-179.700000114.4E184 I190E184-G188 VanDerWaalsContact CA-O 3.28Å; E184-G188 WeakPolarHBondContact CA-O 3.37Å; E184-G188 CarbonylContact O-C 3.52Å; E184-G188 VanDerWaalsContact O-CA 3.27Å; E184-G188 WeakPolarHBondContact O-CA 3.3Å; E184-G188 PolarHBondContact O-N 2.77Å; G188-I190 PolarHBondContact O-N 3.44Å
189T90.5Very high93.8Very high21 Ų2118.1 Ų18.113%0.1299%0.093CC..  trans-77114.5-168.3-57.70000111.8E184 G191 E218 M219 P221E184-T189 WeakPolarHBondContact OE1-CA 3.38Å; T189-G191 PolarHBondContact O-N 2.92Å; T189-E218 WeakPolarHBondContact OG1-CA 3.34Å; T189-M219 PolarHBondContact N-O 3.28Å; T189-M219 PolarHBondContact OG1-N 3.09Å; T189-P221 WeakPolarHBondContact O-CB 3.45Å
190I91.7Very high93.8Very high1 Ų118.1 Ų18.11%0.0059%0.093CC..  trans-73.8121.2-177.5-61.6165.8000109.1E184 G188 W207 R211 I223 V226 I568E184-I190 HydrophobicContact CG-CD1 4.17Å; E184-I190 HydrophobicContact CG-CG1 4.19Å; E184-I190 PolarHBondContact OE1-N 3.28Å; G188-I190 PolarHBondContact O-N 3.44Å; I190-W207 HydrophobicContact CB-CH2 4.25Å; I190-W207 HydrophobicContact CD1-CH2 3.97Å; I190-W207 HydrophobicContact CD1-CZ2 4.23Å; I190-R211 PolarHBondContact O-NH1 2.87Å; I190-R211 PolarHBondContact O-NH2 2.93Å; I190-I223 HydrophobicContact CD1-CG2 4.13Å; I190-I223 HydrophobicContact CG1-CB 4.16Å; I190-I223 HydrophobicContact CG1-CG2 4.05Å; I190-V226 HydrophobicContact CG2-CB 4.22Å; I190-V226 HydrophobicContact CG2-CG1 3.93Å; I190-I568 VanDerWaalsContact O-CD1 3.26Å; I190-I568 WeakPolarHBondContact O-CD1 3.35Å
191G89.3Confident93.9Very high21 Ų2118.5 Ų18.522%0.21610%0.096CC..  trans-90.6-20.4-169.400000115.9T189 N224 K567 I568T189-G191 PolarHBondContact O-N 2.92Å; G191-N224 PolarHBondContact N-O 2.79Å; G191-K567 CarbonylContact O-C 3.6Å; G191-K567 WeakPolarHBondContact O-CA 2.98Å; G191-I568 WeakPolarHBondContact O-CG1 3.17Å; G191-I568 PolarHBondContact O-N 3.3Å
192R93.4Very high94Very high77 Ų7722 Ų2229%0.29111%0.112SC..EExtended strand (participates in β ladder)trans-129138.5-179-65.5-172.8-68.3169.13.2112F194 N224 A225 V226 I565 D566R192-F194 HydrophobicContact CB-CE2 4.11Å; R192-N224 PolarHBondContact N-O 2.9Å; R192-A225 HydrophobicContact CB-CB 3.83Å; R192-A225 CarbonylContact O-C 3.53Å; R192-A225 WeakPolarHBondContact O-CA 3.34Å; R192-V226 PolarHBondContact O-N 3.46Å; R192-I565 WeakPolarHBondContact CA-O 3.43Å; R192-D566 VanDerWaalsContact CG-O 3.26Å; R192-D566 WeakPolarHBondContact CG-O 3.27Å
193V95.9Very high94.3Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-132.1128.6179.3-178.20000110.5W204 W207 V226 I228 I565 I568V193-W204 HydrophobicContact CB-CE3 4.13Å; V193-W204 HydrophobicContact CB-CZ3 4.23Å; V193-W204 HydrophobicContact CG1-CD2 4.11Å; V193-W204 HydrophobicContact CG1-CE3 3.84Å; V193-W204 HydrophobicContact CG1-CG 4.45Å; V193-W204 HydrophobicContact CG1-CZ3 4.43Å; V193-W204 HydrophobicContact CG2-CE3 3.81Å; V193-W204 HydrophobicContact CG2-CH2 4.16Å; V193-W204 HydrophobicContact CG2-CZ3 3.55Å; V193-W207 HydrophobicContact CG2-CH2 4.47Å; V193-W207 HydrophobicContact CG2-CZ3 3.84Å; V193-V226 WeakPolarHBondContact CA-O 3.32Å; V193-V226 HydrophobicContact CB-CG1 4.27Å; V193-V226 HydrophobicContact CG1-CG1 4.16Å; V193-V226 HydrophobicContact CG2-CG1 3.75Å; V193-I228 HydrophobicContact CG1-CD1 4.33Å; V193-I565 HydrophobicContact CB-CB 4.15Å; V193-I565 HydrophobicContact CB-CD1 4.01Å; V193-I565 HydrophobicContact CG1-CD1 4.19Å; V193-I565 PolarHBondContact N-O 3.44Å; V193-I565 WeakPolarHBondContact O-CD1 3.28Å; V193-I565 PolarHBondContact O-N 3.36Å; V193-I568 HydrophobicContact CG2-CD1 3.6Å
194F97.5Very high94.4Very high10 Ų1022.2 Ų22.24%0.04411%0.112CC..EExtended strand (participates in β ladder)trans-117.3132.2171.4-57.2-91.3000107.8R192 A225 V226 I227 I228 M543 W548 K563 I564R192-F194 HydrophobicContact CB-CE2 4.11Å; F194-A225 HydrophobicContact CE2-CB 4.26Å; F194-V226 PolarHBondContact N-O 2.86Å; F194-I227 HydrophobicContact CB-CB 4.43Å; F194-I227 HydrophobicContact CB-CG1 4.19Å; F194-I227 HydrophobicContact CB-CG2 4.22Å; F194-I227 HydrophobicContact CD2-CG1 4.21Å; F194-I227 CarbonylContact O-C 3.55Å; F194-I227 WeakPolarHBondContact O-CA 3.28Å; F194-I228 PolarHBondContact O-N 2.65Å; F194-M543 HydrophobicContact CD1-CG 4.31Å; F194-M543 HydrophobicContact CD2-CG 4.25Å; F194-M543 HydrophobicContact CE1-CG 4.17Å; F194-M543 HydrophobicContact CE2-CG 4.12Å; F194-M543 HydrophobicContact CE2-SD 3.99Å; F194-M543 HydrophobicContact CG-CG 4.35Å; F194-M543 HydrophobicContact CZ-CG 4.08Å; F194-M543 HydrophobicContact CZ-SD 4.05Å; F194-W548 HydrophobicContact CB-CE3 3.93Å; F194-W548 HydrophobicContact CB-CH2 4.06Å; F194-W548 HydrophobicContact CB-CZ3 3.68Å; F194-W548 HydrophobicContact CD1-CB 4.42Å; F194-W548 HydrophobicContact CD1-CD2 4.16Å; F194-W548 AromaticContact CD1-CE3 3.94Å; F194-W548 HydrophobicContact CD1-CE3 3.94Å; F194-W548 HydrophobicContact CD1-CG 4.4Å; F194-W548 HydrophobicContact CG-CE3 4.39Å; F194-K563 CarbonylContact C-O 3.47Å; F194-K563 WeakPolarHBondContact CA-O 3.39Å; F194-I564 HydrophobicContact CD1-CG1 4.29Å; F194-I564 HydrophobicContact CD1-CG2 4.04Å; F194-I564 HydrophobicContact CE1-CG2 3.78Å
195C98.1Very high94.7Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-124.6134.1175.9-54.80000110.1A200 I228 V562 K563C195-A200 HydrophobicContact CB-CB 4.08Å; C195-I228 CarbonylContact C-O 3.59Å; C195-I228 VanDerWaalsContact CA-O 3.3Å; C195-I228 WeakPolarHBondContact CA-O 3.49Å; C195-V562 WeakPolarHBondContact O-CA 3.45Å; C195-K563 HydrophobicContact CB-CB 4.02Å; C195-K563 PolarHBondContact N-O 2.97Å; C195-K563 PolarHBondContact O-N 3.38Å
196K98Very high95Very high0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-129.8111.8165.8-177.464.7-170.9170.70110.4I228 V229 D230 V233 L539 W548 L555 I558 G560 A561 V562K196-I228 PolarHBondContact N-O 2.96Å; K196-V229 HydrophobicContact CB-CG1 4.26Å; K196-V229 WeakPolarHBondContact O-CA 3.38Å; K196-D230 PolarHBondContact O-N 3.34Å; K196-V233 HydrophobicContact CG-CG1 4.18Å; K196-V233 HydrophobicContact CG-CG2 3.91Å; K196-L539 HydrophobicContact CG-CD1 4.16Å; K196-W548 HydrophobicContact CB-CH2 3.82Å; K196-W548 HydrophobicContact CB-CZ3 4.18Å; K196-L555 PolarHBondContact NZ-O 3.45Å; K196-I558 PolarHBondContact NZ-O 3.44Å; K196-G560 PolarHBondContact NZ-O 3.5Å; K196-A561 WeakPolarHBondContact CA-O 3.45Å; K196-V562 HydrophobicContact CD-CG2 3.76Å
197G97.1Very high95.3Very high1 Ų121.6 Ų21.61%0.0111%0.11CC..SBendtrans125.3157.6-176.600000113.1S201 D230 A561G197-S201 WeakPolarHBondContact O-CB 3.49Å; G197-S201 PolarHBondContact O-N 3.18Å; G197-D230 WeakPolarHBondContact CA-OD2 3.19Å; G197-A561 PolarHBondContact N-O 2.94Å
198N96.7Very high95.5Very high104 Ų10426.3 Ų26.356%0.55613%0.131SC*.Hα-helixtrans-69.7-43.5-178-67.4-18000111.2S201 E202 D230 G560 A561N198-S201 WeakPolarHBondContact O-CB 3.24Å; N198-S201 PolarHBondContact O-N 3.13Å; N198-E202 WeakPolarHBondContact O-CG 3.18Å; N198-E202 PolarHBondContact O-N 3.26Å; N198-E202 VanDerWaalsContact O-N 3.13Å; N198-D230 PolarHBondContact N-OD2 2.83Å; N198-G560 WeakPolarHBondContact OD1-CA 3.19Å; N198-A561 PolarHBondContact OD1-N 3.16Å; N198-A561 VanDerWaalsContact OD1-N 3.13Å
199I97.2Very high95.8Very high11 Ų1133.2 Ų33.26%0.05616%0.161CC..Hα-helixtrans-69.2-43.6178.8-62.9176.3000109.3I164 T172 I173 S201 E202 V203 D230 V585I164-I199 HydrophobicContact CB-CD1 4.3Å; I164-I199 HydrophobicContact CD1-CD1 3.96Å; I164-I199 HydrophobicContact CG1-CD1 3.87Å; I164-I199 HydrophobicContact CG2-CD1 3.48Å; I164-I199 VanDerWaalsContact CG2-CD1 3.48Å; T172-I199 HydrophobicContact CG2-CG2 4.18Å; I173-I199 HydrophobicContact CD1-CG2 4.34Å; I173-I199 HydrophobicContact CG1-CG2 3.7Å; I199-S201 VanDerWaalsContact C-N 3.28Å; I199-S201 PolarHBondContact O-N 2.8Å; I199-E202 CarbonylContact O-C 3.53Å; I199-E202 PolarHBondContact O-N 2.76Å; I199-V203 HydrophobicContact CG2-CG2 4.2Å; I199-V203 WeakPolarHBondContact O-CG2 3.4Å; I199-V203 PolarHBondContact O-N 2.85Å; I199-D230 WeakPolarHBondContact CB-OD1 3.42Å; I199-D230 WeakPolarHBondContact CB-OD2 3.48Å; I199-D230 PolarHBondContact N-OD2 3.28Å; I199-V585 HydrophobicContact CG2-CG1 3.69Å
200A97.7Very high95.9Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-55-43.9174.600000112.1C195 E202 V203 W204 I228 D230C195-A200 HydrophobicContact CB-CB 4.08Å; A200-E202 VanDerWaalsContact C-N 3.35Å; A200-E202 PolarHBondContact O-N 2.8Å; A200-V203 PolarHBondContact O-N 2.87Å; A200-W204 PolarHBondContact O-N 2.97Å; A200-I228 HydrophobicContact CB-CB 4.03Å; A200-I228 HydrophobicContact CB-CG2 3.64Å; A200-I228 VanDerWaalsContact CB-O 3.31Å; A200-I228 WeakPolarHBondContact CB-O 3.3Å; A200-D230 WeakPolarHBondContact CB-OD1 2.83Å; A200-D230 PolarHBondContact N-OD1 2.8Å
201S97.3Very high95.9Very high8 Ų835.2 Ų35.26%0.05617%0.169CC..Hα-helixtrans-60.1-41.9174.6160.70000112.6G197 N198 I199 Q205 K563G197-S201 WeakPolarHBondContact O-CB 3.49Å; G197-S201 PolarHBondContact O-N 3.18Å; N198-S201 WeakPolarHBondContact O-CB 3.24Å; N198-S201 PolarHBondContact O-N 3.13Å; I199-S201 VanDerWaalsContact C-N 3.28Å; I199-S201 PolarHBondContact O-N 2.8Å; S201-Q205 WeakPolarHBondContact O-CG 3.43Å; S201-Q205 PolarHBondContact O-N 3.38Å; S201-K563 PolarHBondContact O-NZ 3.08Å; S201-K563 WeakPolarHBondContact OG-CE 3.4Å; S201-K563 PolarHBondContact OG-NZ 2.84Å
202E97.5Very high95.9Very high79 Ų7939.4 Ų39.437%0.36919%0.186SC..Hα-helixtrans-75.7-33.7178.5-68.7-51.2113.600113.1I173 N198 I199 A200 W204 Q205 S206I173-E202 HydrophobicContact CD1-CB 3.69Å; I173-E202 HydrophobicContact CD1-CG 4.41Å; I173-E202 HydrophobicContact CG1-CB 4.47Å; I173-E202 HydrophobicContact CG2-CB 4.27Å; N198-E202 WeakPolarHBondContact O-CG 3.18Å; N198-E202 PolarHBondContact O-N 3.26Å; N198-E202 VanDerWaalsContact O-N 3.13Å; I199-E202 CarbonylContact O-C 3.53Å; I199-E202 PolarHBondContact O-N 2.76Å; A200-E202 VanDerWaalsContact C-N 3.35Å; A200-E202 PolarHBondContact O-N 2.8Å; E202-W204 VanDerWaalsContact C-N 3.29Å; E202-W204 PolarHBondContact O-N 2.8Å; E202-Q205 PolarHBondContact O-N 3.15Å; E202-Q205 VanDerWaalsContact O-N 3.13Å; E202-Q205 PolarHBondContact OE1-NE2 3.49Å; E202-S206 PolarHBondContact O-N 3.15Å
203V98Very high95.8Very high0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-55.8-48.2169.6166.30000109.5I173 V176 L180 I199 A200 Q205 S206 W207 I228I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG1-CG2 4.32Å; I173-V203 HydrophobicContact CG2-CG2 4.16Å; V176-V203 HydrophobicContact CB-CG1 4.24Å; V176-V203 HydrophobicContact CB-CG2 4.08Å; V176-V203 HydrophobicContact CG1-CB 4.44Å; V176-V203 HydrophobicContact CG1-CG1 3.52Å; V176-V203 HydrophobicContact CG1-CG2 3.98Å; L180-V203 HydrophobicContact CD1-CG1 3.76Å; I199-V203 HydrophobicContact CG2-CG2 4.2Å; I199-V203 WeakPolarHBondContact O-CG2 3.4Å; I199-V203 PolarHBondContact O-N 2.85Å; A200-V203 PolarHBondContact O-N 2.87Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 3.21Å; V203-S206 PolarHBondContact O-N 2.74Å; V203-W207 VanDerWaalsContact O-CB 3.25Å; V203-W207 WeakPolarHBondContact O-CB 3.41Å; V203-W207 PolarHBondContact O-N 3.3Å; V203-I228 HydrophobicContact CG1-CD1 3.89Å; V203-I228 HydrophobicContact CG1-CG2 4.37Å
204W96.9Very high95.2Very high26 Ų2644.4 Ų44.410%0.09822%0.222CC..Hα-helixtrans-58.9-43.5175168.1-118.1000112.3V193 A200 E202 S206 W207 K208 I565 I568V193-W204 HydrophobicContact CB-CE3 4.13Å; V193-W204 HydrophobicContact CB-CZ3 4.23Å; V193-W204 HydrophobicContact CG1-CD2 4.11Å; V193-W204 HydrophobicContact CG1-CE3 3.84Å; V193-W204 HydrophobicContact CG1-CG 4.45Å; V193-W204 HydrophobicContact CG1-CZ3 4.43Å; V193-W204 HydrophobicContact CG2-CE3 3.81Å; V193-W204 HydrophobicContact CG2-CH2 4.16Å; V193-W204 HydrophobicContact CG2-CZ3 3.55Å; A200-W204 PolarHBondContact O-N 2.97Å; E202-W204 VanDerWaalsContact C-N 3.29Å; E202-W204 PolarHBondContact O-N 2.8Å; W204-S206 PolarHBondContact O-N 2.75Å; W204-W207 HydrophobicContact CE3-CD2 4.49Å; W204-W207 AromaticContact CE3-CE3 3.68Å; W204-W207 HydrophobicContact CE3-CE3 3.68Å; W204-W207 HydrophobicContact CE3-CZ3 4.15Å; W204-W207 AromaticContact CZ3-CE3 3.91Å; W204-W207 HydrophobicContact CZ3-CE3 3.91Å; W204-W207 HydrophobicContact CZ3-CZ3 4.19Å; W204-W207 PolarHBondContact O-N 2.96Å; W204-K208 HydrophobicContact CH2-CB 4.45Å; W204-K208 HydrophobicContact CZ2-CB 4.39Å; W204-K208 HydrophobicContact CZ2-CD 4.21Å; W204-K208 VanDerWaalsContact O-CB 3.28Å; W204-K208 WeakPolarHBondContact O-CB 3.44Å; W204-K208 PolarHBondContact O-N 2.93Å; W204-I565 HydrophobicContact CD2-CD1 4.25Å; W204-I565 HydrophobicContact CG-CD1 4.35Å; W204-I565 HydrophobicContact CZ2-CB 4.46Å; W204-I565 HydrophobicContact CZ2-CD1 4.27Å; W204-I565 HydrophobicContact CZ2-CG1 3.87Å; W204-I565 HydrophobicContact CZ2-CG2 4.15Å; W204-I568 HydrophobicContact CH2-CD1 3.71Å; W204-I568 HydrophobicContact CH2-CG1 3.99Å; W204-I568 HydrophobicContact CZ3-CD1 4.04Å
205Q96.7Very high94.2Very high71 Ų7152.8 Ų52.833%0.33226%0.259SS..Hα-helixtrans-63-43.6178.2-66.1-173.443.500112.5S201 E202 V203 K209S201-Q205 WeakPolarHBondContact O-CG 3.43Å; S201-Q205 PolarHBondContact O-N 3.38Å; E202-Q205 PolarHBondContact O-N 3.15Å; E202-Q205 VanDerWaalsContact O-N 3.13Å; E202-Q205 PolarHBondContact OE1-NE2 3.49Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 3.21Å; Q205-K209 WeakPolarHBondContact O-CG 3.44Å; Q205-K209 PolarHBondContact O-N 3.45Å
206S96.7Very high92.9Very high20 Ų2055.3 Ų55.314%0.1427%0.271CS..Hα-helixtrans-66.1-45.6177.8-173.10000111.1N174 E202 V203 W204 K208 K209 L210N174-S206 PolarHBondContact OD1-OG 3.47Å; E202-S206 PolarHBondContact O-N 3.15Å; V203-S206 PolarHBondContact O-N 2.74Å; W204-S206 PolarHBondContact O-N 2.75Å; S206-K208 PolarHBondContact O-N 3.43Å; S206-K209 PolarHBondContact O-N 3.04Å; S206-L210 WeakPolarHBondContact O-CG 3.42Å; S206-L210 PolarHBondContact O-N 3.02Å
207W95.9Very high91.9Very high0 Ų065.8 Ų65.80%031%0.311CS..Hα-helixtrans-62.3-44.2178-177.927.2000112.4A177 L180 E184 I190 V193 V203 W204 K209 L210 R211 V226 I228A177-W207 HydrophobicContact CB-CB 3.93Å; L180-W207 HydrophobicContact CB-CD2 3.89Å; L180-W207 HydrophobicContact CB-CE3 4.31Å; L180-W207 HydrophobicContact CB-CG 4.3Å; L180-W207 HydrophobicContact CB-CH2 4.26Å; L180-W207 HydrophobicContact CB-CZ2 3.78Å; L180-W207 HydrophobicContact CD1-CD2 4.11Å; L180-W207 HydrophobicContact CD1-CE3 3.79Å; L180-W207 HydrophobicContact CD1-CZ3 4.05Å; L180-W207 HydrophobicContact CD2-CH2 4.37Å; E184-W207 HydrophobicContact CG-CZ2 3.88Å; E184-W207 WeakPolarHBondContact OE2-CZ2 3.45Å; E184-W207 PolarHBondContact OE2-NE1 3.19Å; I190-W207 HydrophobicContact CB-CH2 4.25Å; I190-W207 HydrophobicContact CD1-CH2 3.97Å; I190-W207 HydrophobicContact CD1-CZ2 4.23Å; V193-W207 HydrophobicContact CG2-CH2 4.47Å; V193-W207 HydrophobicContact CG2-CZ3 3.84Å; V203-W207 VanDerWaalsContact O-CB 3.25Å; V203-W207 WeakPolarHBondContact O-CB 3.41Å; V203-W207 PolarHBondContact O-N 3.3Å; W204-W207 HydrophobicContact CE3-CD2 4.49Å; W204-W207 AromaticContact CE3-CE3 3.68Å; W204-W207 HydrophobicContact CE3-CE3 3.68Å; W204-W207 HydrophobicContact CE3-CZ3 4.15Å; W204-W207 AromaticContact CZ3-CE3 3.91Å; W204-W207 HydrophobicContact CZ3-CE3 3.91Å; W204-W207 HydrophobicContact CZ3-CZ3 4.19Å; W204-W207 PolarHBondContact O-N 2.96Å; W207-K209 PolarHBondContact O-N 3.23Å; W207-L210 WeakPolarHBondContact O-CB 3.24Å; W207-L210 PolarHBondContact O-N 3.1Å; W207-L210 VanDerWaalsContact O-N 3.14Å; W207-R211 VanDerWaalsContact CE2-NE 3.31Å; W207-R211 PolarHBondContact O-N 3.01Å; W207-V226 HydrophobicContact CH2-CG1 3.86Å; W207-V226 HydrophobicContact CZ3-CG1 3.71Å; W207-I228 HydrophobicContact CE3-CD1 4.48Å; W207-I228 HydrophobicContact CZ3-CD1 4.46Å
208K94.4Very high91.1Very high103 Ų10369.8 Ų69.845%0.44833%0.33SS..Hα-helixtrans-56.6-47.3174.6-177.2-179.1177.1-177.70111.8W204 S206 L210 R211 D212W204-K208 HydrophobicContact CH2-CB 4.45Å; W204-K208 HydrophobicContact CZ2-CB 4.39Å; W204-K208 HydrophobicContact CZ2-CD 4.21Å; W204-K208 VanDerWaalsContact O-CB 3.28Å; W204-K208 WeakPolarHBondContact O-CB 3.44Å; W204-K208 PolarHBondContact O-N 2.93Å; S206-K208 PolarHBondContact O-N 3.43Å; K208-L210 VanDerWaalsContact C-N 3.29Å; K208-L210 PolarHBondContact O-N 2.83Å; K208-R211 PolarHBondContact O-N 2.92Å; K208-D212 VanDerWaalsContact O-CG 3.24Å; K208-D212 PolarHBondContact O-N 2.89Å
209K94.6Very high90.5Very high144 Ų14467.9 Ų67.963%0.62632%0.318SS*.Hα-helixtrans-59.6-40176.8-72.1173.2-177175.10112.1Q205 S206 W207 S213Q205-K209 WeakPolarHBondContact O-CG 3.44Å; Q205-K209 PolarHBondContact O-N 3.45Å; S206-K209 PolarHBondContact O-N 3.04Å; W207-K209 PolarHBondContact O-N 3.23Å; K209-S213 WeakPolarHBondContact O-CB 3.37Å; K209-S213 PolarHBondContact O-N 3.01Å; K209-S213 PolarHBondContact O-OG 3.25Å
210L93.6Very high89.9Confident40 Ų4072.3 Ų72.321%0.20934%0.338CS..Hα-helixtrans-63.8-47.5176.1-68.4170.6000111.4A177 Q178 L181 S206 W207 K208 D212 S213 Q214A177-L210 HydrophobicContact CB-CD1 4.01Å; Q178-L210 HydrophobicContact CG-CD1 3.93Å; L181-L210 HydrophobicContact CD2-CB 4.02Å; S206-L210 WeakPolarHBondContact O-CG 3.42Å; S206-L210 PolarHBondContact O-N 3.02Å; W207-L210 WeakPolarHBondContact O-CB 3.24Å; W207-L210 PolarHBondContact O-N 3.1Å; W207-L210 VanDerWaalsContact O-N 3.14Å; K208-L210 VanDerWaalsContact C-N 3.29Å; K208-L210 PolarHBondContact O-N 2.83Å; L210-D212 PolarHBondContact O-N 2.72Å; L210-S213 PolarHBondContact O-N 2.86Å; L210-S213 PolarHBondContact O-OG 3.03Å; L210-Q214 PolarHBondContact O-N 3.24Å; L210-Q214 VanDerWaalsContact O-N 3.1Å
211R90.6Very high89.4Confident24 Ų2472.8 Ų72.89%0.09134%0.342CS..Hα-helixtrans-55.7-49.7175.4-71.5179173.2-161.99.2112.1L181 E184 I190 W207 K208 S213 Q214 K215 I568L181-R211 HydrophobicContact CD1-CG 3.74Å; E184-R211 VanDerWaalsContact CD-CZ 3.42Å; E184-R211 IonicContact OE1-CZ 2.93Å; E184-R211 IonicContact OE1-NE 2.85Å; E184-R211 PolarHBondContact OE1-NE 3.1Å; E184-R211 IonicContact OE1-NH1 2.78Å; E184-R211 IonicContact OE1-NH2 3.62Å; E184-R211 PolarHBondContact OE1-NH2 3.15Å; E184-R211 IonicContact OE2-CZ 3.82Å; E184-R211 VanDerWaalsContact OE2-CZ 3.23Å; E184-R211 IonicContact OE2-NE 2.64Å; E184-R211 PolarHBondContact OE2-NE 3.2Å; E184-R211 IonicContact OE2-NH2 3.34Å; E184-R211 PolarHBondContact OE2-NH2 3.18Å; I190-R211 PolarHBondContact O-NH1 2.87Å; I190-R211 PolarHBondContact O-NH2 2.93Å; W207-R211 VanDerWaalsContact CE2-NE 3.31Å; W207-R211 PolarHBondContact O-N 3.01Å; K208-R211 PolarHBondContact O-N 2.92Å; R211-S213 VanDerWaalsContact C-N 3.27Å; R211-S213 PolarHBondContact O-N 3.43Å; R211-Q214 PolarHBondContact O-N 3.17Å; R211-K215 PolarHBondContact O-N 3.21Å; R211-I568 VanDerWaalsContact NH1-CD1 3.35Å
212D89.7Confident89.1Confident109 Ų10974.2 Ų74.258%0.58335%0.349SS*.Hα-helixtrans-61.8-36.8-179.2-66.1-16.9000111.3K208 L210K208-D212 VanDerWaalsContact O-CG 3.24Å; K208-D212 PolarHBondContact O-N 2.89Å; L210-D212 PolarHBondContact O-N 2.72Å
213S90.7Very high88.8Confident84 Ų8470.5 Ų70.559%0.58733%0.331SS*.Hα-helixtrans-72.1-35.2-179.771.60000114.1K209 L210 R211K209-S213 WeakPolarHBondContact O-CB 3.37Å; K209-S213 PolarHBondContact O-N 3.01Å; K209-S213 PolarHBondContact O-OG 3.25Å; L210-S213 PolarHBondContact O-N 2.86Å; L210-S213 PolarHBondContact O-OG 3.03Å; R211-S213 VanDerWaalsContact C-N 3.27Å; R211-S213 PolarHBondContact O-N 3.43Å
214Q84.4Confident88.5Confident98 Ų9871.2 Ų71.246%0.45834%0.335SS..Hα-helixtrans-89.2-8-174.6-71.1-1725.500114.2L210 R211 I216L210-Q214 PolarHBondContact O-N 3.24Å; L210-Q214 VanDerWaalsContact O-N 3.1Å; R211-Q214 PolarHBondContact O-N 3.17Å; Q214-I216 HydrophobicContact CB-CD1 4.16Å; Q214-I216 HydrophobicContact CB-CG1 3.64Å; Q214-I216 PolarHBondContact O-N 3.45Å
215K76Confident88.3Confident187 Ų18770 Ų7081%0.81333%0.33SS*.THydrogen-bonded Turntrans46.745.2-175.4-63-175.9177.9-178.60112R211 R217R211-K215 PolarHBondContact O-N 3.21Å; K215-R217 PolarHBondContact O-N 3.42Å
216I71.9Confident88.4Confident52 Ų5266.6 Ų66.627%0.26732%0.315SS..PPolyproline II helixtrans-59.2125-176.2-58.8-180000108.4L181 Q214 E218L181-I216 HydrophobicContact CD1-CD1 3.29Å; L181-I216 HydrophobicContact CD2-CD1 4.35Å; L181-I216 HydrophobicContact CG-CD1 3.87Å; Q214-I216 HydrophobicContact CB-CD1 4.16Å; Q214-I216 HydrophobicContact CB-CG1 3.64Å; Q214-I216 PolarHBondContact O-N 3.45Å; I216-E218 PolarHBondContact O-N 3.37Å
217R75.8Confident88.4Confident221 Ų22165.7 Ų65.783%0.83431%0.308SS*.PPolyproline II helixtrans-62.9129.7173.6-70.6-176.1178.2-178.9-0.8108.5K215 M219K215-R217 PolarHBondContact O-N 3.42Å; R217-M219 PolarHBondContact O-N 3.14Å
218E80.9Confident88.6Confident85 Ų8565.7 Ų65.740%0.39731%0.308SS..PPolyproline II helixtrans-59.3127.6175.2-63.8-171.3176.900109.6T189 I216 G569 L572T189-E218 WeakPolarHBondContact OG1-CA 3.34Å; I216-E218 PolarHBondContact O-N 3.37Å; E218-G569 WeakPolarHBondContact OE1-CA 3.36Å; E218-L572 HydrophobicContact CB-CD1 3.71Å; E218-L572 HydrophobicContact CB-CG 4.37Å
219M83.3Confident88.7Confident64 Ų6460.8 Ų60.832%0.31529%0.287SS..  trans-116.1144.9177.9-65.2-178.7104.200108.8R6 T189 R217 L572R6-M219 PolarHBondContact NH1-SD 3.39Å; R6-M219 VanDerWaalsContact NH2-CE 3.26Å; R6-M219 PolarHBondContact NH2-SD 2.83Å; R6-M219 VanDerWaalsContact NH2-SD 3.41Å; T189-M219 PolarHBondContact N-O 3.28Å; T189-M219 PolarHBondContact OG1-N 3.09Å; R217-M219 PolarHBondContact O-N 3.14Å; M219-L572 VanDerWaalsContact C-CD1 3.43Å
220E84.6Confident88.9Confident103 Ų10354 Ų5448%0.48126%0.257SS..  trans-54.6126.5177.2-169.2178.2174.900111.3I575E220-I575 WeakPolarHBondContact OE1-CB 3.09Å; E220-I575 WeakPolarHBondContact OE1-CD1 3.33Å; E220-I575 WeakPolarHBondContact OE1-CG1 3.18Å
221P87.8Confident89.1Confident11 Ų1152.1 Ų52.17%0.07125%0.247CC..  trans-84.8124.3-171.828.5-31.3000113.8T189 I223T189-P221 WeakPolarHBondContact O-CB 3.45Å; P221-I223 WeakPolarHBondContact CB-O 3.34Å
222L90.2Very high89.4Confident38 Ų3853.9 Ų53.920%0.19926%0.261CS..SBendtrans-81.8-17.6160.3-61.1177.3000112.4A12 F187 V579A12-L222 HydrophobicContact CB-CB 4.3Å; F187-L222 HydrophobicContact CB-CB 4.31Å; F187-L222 HydrophobicContact CD1-CB 4.48Å; F187-L222 HydrophobicContact CD1-CD1 4.1Å; F187-L222 WeakPolarHBondContact O-CB 3.45Å; F187-L222 PolarHBondContact O-N 2.66Å; L222-V579 WeakPolarHBondContact O-CB 3.38Å; L222-V579 WeakPolarHBondContact O-CG2 3.45Å
223I92Very high89.7Confident1 Ų149.4 Ų49.41%0.00524%0.237CC..  trans-120113.9174-59.7173.1000107.6A12 F187 I190 P221 V579 L581 I608A12-I223 HydrophobicContact CB-CG1 4.04Å; F187-I223 HydrophobicContact CB-CD1 3.87Å; F187-I223 HydrophobicContact CB-CG1 4.1Å; F187-I223 HydrophobicContact CD2-CD1 3.96Å; F187-I223 HydrophobicContact CG-CD1 3.94Å; F187-I223 HydrophobicContact CG-CG1 4.45Å; I190-I223 HydrophobicContact CD1-CG2 4.13Å; I190-I223 HydrophobicContact CG1-CB 4.16Å; I190-I223 HydrophobicContact CG1-CG2 4.05Å; P221-I223 WeakPolarHBondContact CB-O 3.34Å; I223-V579 HydrophobicContact CG1-CG1 4.31Å; I223-L581 HydrophobicContact CG2-CB 3.76Å; I223-I608 HydrophobicContact CD1-CD1 3.88Å; I223-I608 HydrophobicContact CG1-CD1 3.96Å
224N90.9Very high90Very high15 Ų1545.8 Ų45.88%0.0821%0.211CC..  trans-87.3-32.9-170.4-47.6108.4000112.9G191 R192 S574 E577 K578 V579G191-N224 PolarHBondContact N-O 2.79Å; R192-N224 PolarHBondContact N-O 2.9Å; N224-S574 WeakPolarHBondContact ND2-CB 3.41Å; N224-E577 PolarHBondContact OD1-O 3.29Å; N224-K578 WeakPolarHBondContact OD1-CA 3.29Å; N224-V579 PolarHBondContact N-O 2.77Å; N224-V579 PolarHBondContact OD1-N 3.25Å
225A94.3Very high90.6Very high0 Ų042.2 Ų42.20%020%0.195CC..EExtended strand (participates in β ladder)trans-140153.9-178.500000111.2R192 F194 V579 V580 L581R192-A225 HydrophobicContact CB-CB 3.83Å; R192-A225 CarbonylContact O-C 3.53Å; R192-A225 WeakPolarHBondContact O-CA 3.34Å; F194-A225 HydrophobicContact CE2-CB 4.26Å; A225-V579 PolarHBondContact N-O 3.45Å; A225-V580 HydrophobicContact CB-CG1 4.46Å; A225-V580 HydrophobicContact CB-CG2 4.43Å; A225-V580 WeakPolarHBondContact O-CA 3.39Å; A225-L581 PolarHBondContact O-N 3.29Å
226V97.2Very high91.7Very high0 Ų033.7 Ų33.70%016%0.159CC..EExtended strand (participates in β ladder)trans-126.1136.7167.5620000110.7L180 I190 R192 V193 F194 W207 I228 L581 F583L180-V226 HydrophobicContact CD2-CG2 4.25Å; I190-V226 HydrophobicContact CG2-CB 4.22Å; I190-V226 HydrophobicContact CG2-CG1 3.93Å; R192-V226 PolarHBondContact O-N 3.46Å; V193-V226 WeakPolarHBondContact CA-O 3.32Å; V193-V226 HydrophobicContact CB-CG1 4.27Å; V193-V226 HydrophobicContact CG1-CG1 4.16Å; V193-V226 HydrophobicContact CG2-CG1 3.75Å; F194-V226 PolarHBondContact N-O 2.86Å; W207-V226 HydrophobicContact CH2-CG1 3.86Å; W207-V226 HydrophobicContact CZ3-CG1 3.71Å; V226-I228 HydrophobicContact CG1-CG1 4.49Å; V226-I228 HydrophobicContact CG2-CG1 3.9Å; V226-L581 CarbonylContact C-O 3.56Å; V226-L581 WeakPolarHBondContact CA-O 3.22Å; V226-L581 HydrophobicContact CB-CB 4.22Å; V226-L581 HydrophobicContact CG2-CB 4.07Å; V226-L581 HydrophobicContact CG2-CD2 3.93Å; V226-L581 HydrophobicContact CG2-CG 4.05Å; V226-L581 WeakPolarHBondContact CG2-O 3.44Å; V226-F583 HydrophobicContact CG2-CB 4.4Å
227I98.2Very high92.9Very high0 Ų031.2 Ų31.20%015%0.146CC..EExtended strand (participates in β ladder)trans-108.2113.7168.4-51177.9000107F194 V229 C540 M543 W548 V580 L581 V582 F583F194-I227 HydrophobicContact CB-CB 4.43Å; F194-I227 HydrophobicContact CB-CG1 4.19Å; F194-I227 HydrophobicContact CB-CG2 4.22Å; F194-I227 HydrophobicContact CD2-CG1 4.21Å; F194-I227 CarbonylContact O-C 3.55Å; F194-I227 WeakPolarHBondContact O-CA 3.28Å; I227-V229 HydrophobicContact CG2-CG2 3.53Å; I227-C540 HydrophobicContact CD1-CB 4.29Å; I227-M543 HydrophobicContact CD1-CB 4.02Å; I227-M543 HydrophobicContact CD1-CE 3.86Å; I227-M543 HydrophobicContact CD1-CG 4.03Å; I227-M543 HydrophobicContact CG1-CE 4.33Å; I227-W548 HydrophobicContact CG2-CH2 3.74Å; I227-W548 HydrophobicContact CG2-CZ2 3.88Å; I227-V580 HydrophobicContact CD1-CG1 3.93Å; I227-V580 HydrophobicContact CG1-CG1 3.87Å; I227-L581 PolarHBondContact N-O 2.92Å; I227-V582 CarbonylContact O-C 3.57Å; I227-F583 PolarHBondContact O-N 2.89Å
228I98.6Very high94Very high0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-100.5119.6176.4-48.2175.1000107.6L180 V193 F194 C195 K196 A200 V203 W207 V226 F583 V585L180-I228 HydrophobicContact CD1-CD1 3.75Å; V193-I228 HydrophobicContact CG1-CD1 4.33Å; F194-I228 PolarHBondContact O-N 2.65Å; C195-I228 CarbonylContact C-O 3.59Å; C195-I228 VanDerWaalsContact CA-O 3.3Å; C195-I228 WeakPolarHBondContact CA-O 3.49Å; K196-I228 PolarHBondContact N-O 2.96Å; A200-I228 HydrophobicContact CB-CB 4.03Å; A200-I228 HydrophobicContact CB-CG2 3.64Å; A200-I228 VanDerWaalsContact CB-O 3.31Å; A200-I228 WeakPolarHBondContact CB-O 3.3Å; V203-I228 HydrophobicContact CG1-CD1 3.89Å; V203-I228 HydrophobicContact CG1-CG2 4.37Å; W207-I228 HydrophobicContact CE3-CD1 4.48Å; W207-I228 HydrophobicContact CZ3-CD1 4.46Å; V226-I228 HydrophobicContact CG1-CG1 4.49Å; V226-I228 HydrophobicContact CG2-CG1 3.9Å; I228-F583 HydrophobicContact CG1-CB 4.46Å; I228-V585 HydrophobicContact CG2-CG2 3.76Å
229V98.4Very high94.7Very high0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans-129.2131.3-175.6-167.40000110.4K196 I227 V233 I536 F583 V585K196-V229 HydrophobicContact CB-CG1 4.26Å; K196-V229 WeakPolarHBondContact O-CA 3.38Å; I227-V229 HydrophobicContact CG2-CG2 3.53Å; V229-V233 HydrophobicContact CG1-CB 4.32Å; V229-V233 HydrophobicContact CG1-CG1 4.47Å; V229-V233 HydrophobicContact CG1-CG2 4.29Å; V229-I536 HydrophobicContact CB-CD1 4.46Å; V229-I536 HydrophobicContact CB-CG2 4.09Å; V229-I536 HydrophobicContact CG1-CD1 3.74Å; V229-I536 HydrophobicContact CG1-CG1 3.91Å; V229-I536 HydrophobicContact CG1-CG2 3.95Å; V229-I536 HydrophobicContact CG2-CG2 4.08Å; V229-F583 PolarHBondContact N-O 2.72Å; V229-V585 PolarHBondContact O-N 3.23Å
230D98Very high95.3Very high2 Ų213.7 Ų13.71%0.0117%0.073CC..EExtended strand (participates in β ladder)trans-77133.4171.9-61.9-12.1000109.9K196 G197 N198 I199 A200 V232 V233 V585K196-D230 PolarHBondContact O-N 3.34Å; G197-D230 WeakPolarHBondContact CA-OD2 3.19Å; N198-D230 PolarHBondContact N-OD2 2.83Å; I199-D230 WeakPolarHBondContact CB-OD1 3.42Å; I199-D230 WeakPolarHBondContact CB-OD2 3.48Å; I199-D230 PolarHBondContact N-OD2 3.28Å; A200-D230 WeakPolarHBondContact CB-OD1 2.83Å; A200-D230 PolarHBondContact N-OD1 2.8Å; D230-V232 HydrophobicContact CB-CG2 3.82Å; D230-V232 PolarHBondContact O-N 3.28Å; D230-V232 VanDerWaalsContact O-N 3.1Å; D230-V233 HydrophobicContact CB-CG2 4.3Å; D230-V233 WeakPolarHBondContact O-CB 3.24Å; D230-V233 VanDerWaalsContact O-CG2 3.29Å; D230-V233 WeakPolarHBondContact O-CG2 3.21Å; D230-V233 PolarHBondContact O-N 2.76Å; D230-V585 CarbonylContact C-O 3.59Å
231R97.8Very high95.8Very high0 Ų09.4 Ų9.40%05%0.054CC..G310 helixtrans-57.1-29174.1-177.967-87.6170.5-8.5112.8L161 V233 D234 L235 I536 V585 G587 E592 I615L161-R231 HydrophobicContact CD1-CB 4Å; L161-R231 HydrophobicContact CD1-CG 4.09Å; L161-R231 HydrophobicContact CD2-CB 4.46Å; L161-R231 HydrophobicContact CD2-CG 3.74Å; R231-V233 PolarHBondContact O-N 3.27Å; R231-V233 VanDerWaalsContact O-N 3.12Å; R231-D234 PolarHBondContact NE-O 3.42Å; R231-D234 PolarHBondContact NH2-O 2.95Å; R231-D234 IonicContact NH2-OD1 3.77Å; R231-D234 IonicContact NH2-OD2 3.23Å; R231-D234 PolarHBondContact NH2-OD2 3.1Å; R231-D234 CarbonylContact O-C 3.47Å; R231-D234 PolarHBondContact O-N 2.79Å; R231-D234 VanDerWaalsContact O-O 3.09Å; R231-L235 HydrophobicContact CG-CD2 4.3Å; R231-I536 VanDerWaalsContact CZ-CD1 3.44Å; R231-V585 PolarHBondContact N-O 3.01Å; R231-G587 VanDerWaalsContact CD-O 3.28Å; R231-G587 WeakPolarHBondContact CD-O 3.44Å; R231-E592 IonicContact CZ-OE1 3.56Å; R231-E592 IonicContact CZ-OE2 2.71Å; R231-E592 IonicContact NH1-OE1 3.91Å; R231-E592 PolarHBondContact NH1-OE1 3.06Å; R231-E592 IonicContact NH1-OE2 2.64Å; R231-E592 PolarHBondContact NH1-OE2 3.12Å; R231-E592 IonicContact NH2-OE1 2.73Å; R231-E592 PolarHBondContact NH2-OE1 2.8Å; R231-E592 VanDerWaalsContact NH2-OE1 3.15Å; R231-I615 HydrophobicContact CG-CD1 4.24Å
232V96.4Very high96.3Very high62 Ų629 Ų938%0.3765%0.051SC..G310 helixtrans-62.8-16.5178.3-49.50000113.5L161 I164 L165 D230 D234L161-V232 HydrophobicContact CD1-CG1 4.25Å; I164-V232 HydrophobicContact CG2-CG1 4.03Å; L165-V232 HydrophobicContact CD2-CG1 3.64Å; D230-V232 HydrophobicContact CB-CG2 3.82Å; D230-V232 PolarHBondContact O-N 3.28Å; D230-V232 VanDerWaalsContact O-N 3.1Å; V232-D234 PolarHBondContact O-N 2.91Å
233V96.4Very high96.6Very high14 Ų147.7 Ų7.79%0.0854%0.044CC..G310 helixtrans-62.2-30.2171.5167.30000111.5K196 V229 D230 R231 L535 L539 I558K196-V233 HydrophobicContact CG-CG1 4.18Å; K196-V233 HydrophobicContact CG-CG2 3.91Å; V229-V233 HydrophobicContact CG1-CB 4.32Å; V229-V233 HydrophobicContact CG1-CG1 4.47Å; V229-V233 HydrophobicContact CG1-CG2 4.29Å; D230-V233 HydrophobicContact CB-CG2 4.3Å; D230-V233 WeakPolarHBondContact O-CB 3.24Å; D230-V233 VanDerWaalsContact O-CG2 3.29Å; D230-V233 WeakPolarHBondContact O-CG2 3.21Å; D230-V233 PolarHBondContact O-N 2.76Å; R231-V233 PolarHBondContact O-N 3.27Å; R231-V233 VanDerWaalsContact O-N 3.12Å; V233-L535 HydrophobicContact CG1-CD2 4.26Å; V233-L539 HydrophobicContact CG1-CD1 4.37Å; V233-I558 HydrophobicContact CG1-CG2 3.56Å
234D97.5Very high96.9Very high9 Ų97.7 Ų7.75%0.0484%0.044CC..  trans-148.387.5-177.3173.510.4000109.7R231 V232 V236 T237 L535 I536R231-D234 PolarHBondContact NE-O 3.42Å; R231-D234 PolarHBondContact NH2-O 2.95Å; R231-D234 IonicContact NH2-OD1 3.77Å; R231-D234 IonicContact NH2-OD2 3.23Å; R231-D234 PolarHBondContact NH2-OD2 3.1Å; R231-D234 CarbonylContact O-C 3.47Å; R231-D234 PolarHBondContact O-N 2.79Å; R231-D234 VanDerWaalsContact O-O 3.09Å; V232-D234 PolarHBondContact O-N 2.91Å; D234-V236 VanDerWaalsContact C-N 3.27Å; D234-V236 PolarHBondContact OD1-N 3.44Å; D234-V236 VanDerWaalsContact OD1-N 3.16Å; D234-T237 PolarHBondContact OD1-N 2.89Å; D234-T237 PolarHBondContact OD1-OG1 3.35Å; D234-T237 PolarHBondContact OD2-OG1 3.01Å; D234-L535 HydrophobicContact CB-CB 4.03Å; D234-L535 HydrophobicContact CB-CD2 4.21Å; D234-L535 WeakPolarHBondContact OD2-CB 3.09Å; D234-L535 PolarHBondContact OD2-N 3.19Å; D234-L535 VanDerWaalsContact OD2-N 3.14Å; D234-I536 HydrophobicContact CB-CD1 4.32Å; D234-I536 HydrophobicContact CB-CG1 4.01Å
235L97.4Very high97.3Very high22 Ų227 Ų712%0.1154%0.04CC..SBendtrans-84.8-3.8174.5-63174.4000112.6L165 R231 M239 L450 L487L165-L235 HydrophobicContact CD1-CD2 4.44Å; L165-L235 HydrophobicContact CD2-CD1 3.84Å; L165-L235 HydrophobicContact CD2-CD2 4.17Å; R231-L235 HydrophobicContact CG-CD2 4.3Å; L235-M239 VanDerWaalsContact O-CG 3.31Å; L235-M239 WeakPolarHBondContact O-CG 3.43Å; L235-L450 HydrophobicContact CB-CD1 3.85Å; L235-L450 HydrophobicContact CB-CD2 4Å; L235-L450 HydrophobicContact CD1-CD2 4.37Å; L235-L450 WeakPolarHBondContact O-CD1 3.44Å; L235-L487 HydrophobicContact CB-CD2 4.07Å; L235-L487 HydrophobicContact CD1-CD2 3.85Å; L235-L487 HydrophobicContact CG-CD2 4.37Å
236V97.2Very high97.4Very high9 Ų97.4 Ų7.46%0.0554%0.042CC..Hα-helixtrans-76.4-48.5-178.6174.30000109.8D234 M239 V240 L398 L447 L450 V451 Y503 F532D234-V236 VanDerWaalsContact C-N 3.27Å; D234-V236 PolarHBondContact OD1-N 3.44Å; D234-V236 VanDerWaalsContact OD1-N 3.16Å; V236-M239 WeakPolarHBondContact O-CA 3.48Å; V236-M239 WeakPolarHBondContact O-CB 3.39Å; V236-M239 PolarHBondContact O-N 3.45Å; V236-V240 HydrophobicContact CG1-CG2 4.15Å; V236-V240 PolarHBondContact O-N 2.89Å; V236-L398 HydrophobicContact CG1-CD2 3.6Å; V236-L447 HydrophobicContact CG1-CD1 3.84Å; V236-L450 HydrophobicContact CG2-CB 4.04Å; V236-V451 HydrophobicContact CG1-CG1 4.22Å; V236-V451 HydrophobicContact CG2-CG1 4.12Å; V236-Y503 HydrophobicContact CB-CE2 4.31Å; V236-Y503 HydrophobicContact CG1-CE2 4.08Å; V236-Y503 HydrophobicContact CG2-CD2 4.03Å; V236-Y503 HydrophobicContact CG2-CE2 3.86Å; V236-F532 HydrophobicContact CG1-CE2 4.38Å; V236-F532 HydrophobicContact CG1-CZ 3.94Å
237T98.1Very high97.5Very high0 Ų07.4 Ų7.40%04%0.042CC..Hα-helixtrans-52.2-46.4-176.3-69.10000114.9D234 M239 V240 Y529 F532 P534 T589 E592D234-T237 PolarHBondContact OD1-N 2.89Å; D234-T237 PolarHBondContact OD1-OG1 3.35Å; D234-T237 PolarHBondContact OD2-OG1 3.01Å; T237-M239 PolarHBondContact O-N 2.96Å; T237-V240 PolarHBondContact O-N 2.83Å; T237-Y529 HydrophobicContact CG2-CE2 3.95Å; T237-Y529 VanDerWaalsContact CG2-OH 3.31Å; T237-Y529 WeakPolarHBondContact CG2-OH 3.32Å; T237-Y529 PolarHBondContact O-OH 3.05Å; T237-F532 VanDerWaalsContact OG1-CE1 3.26Å; T237-F532 WeakPolarHBondContact OG1-CE1 3.33Å; T237-P534 HydrophobicContact CG2-CB 3.91Å; T237-P534 HydrophobicContact CG2-CG 4.07Å; T237-T589 HydrophobicContact CG2-CG2 4.33Å; T237-E592 HydrophobicContact CG2-CG 3.75Å
238P97.7Very high97.4Very high1 Ų17.4 Ų7.41%0.0064%0.043CC..Hα-helixtrans-64.1-26.3176.1-22.734.8000113.7V240 R443 T589 I615 G617P238-V240 VanDerWaalsContact C-N 3.35Å; P238-R443 PolarHBondContact O-NH2 3.18Å; P238-R443 VanDerWaalsContact O-NH2 3.15Å; P238-T589 HydrophobicContact CB-CG2 4.24Å; P238-T589 HydrophobicContact CG-CG2 4.24Å; P238-I615 HydrophobicContact CB-CD1 4.23Å; P238-I615 HydrophobicContact CG-CD1 4Å; P238-G617 WeakPolarHBondContact O-CA 3.25Å; P238-G617 PolarHBondContact O-N 3.37Å
239M96.3Very high97.3Very high0 Ų07.4 Ų7.40%04%0.043CC..Hα-helixtrans-79.7-16-179.8-62.1-64.7143.900113.2L235 V236 T237 R443 C446 L447 L450 L487 L620 L621L235-M239 VanDerWaalsContact O-CG 3.31Å; L235-M239 WeakPolarHBondContact O-CG 3.43Å; V236-M239 WeakPolarHBondContact O-CA 3.48Å; V236-M239 WeakPolarHBondContact O-CB 3.39Å; V236-M239 PolarHBondContact O-N 3.45Å; T237-M239 PolarHBondContact O-N 2.96Å; M239-R443 HydrophobicContact CB-CG 4.41Å; M239-R443 WeakPolarHBondContact O-CG 3.34Å; M239-R443 PolarHBondContact O-NE 3.1Å; M239-R443 HydrophobicContact SD-CG 3.99Å; M239-C446 HydrophobicContact SD-CB 3.95Å; M239-L447 HydrophobicContact CB-CB 4.15Å; M239-L447 HydrophobicContact CB-CD1 4.11Å; M239-L450 HydrophobicContact CG-CD1 3.91Å; M239-L487 HydrophobicContact CE-CD2 4.15Å; M239-L620 HydrophobicContact CE-CD2 3.68Å; M239-L620 HydrophobicContact CE-CG 4.45Å; M239-L621 HydrophobicContact CE-CD1 4.42Å; M239-L621 HydrophobicContact CE-CD2 4.24Å; M239-L621 HydrophobicContact CE-CG 4.2Å; M239-L621 HydrophobicContact SD-CD1 3.97Å; M239-L621 HydrophobicContact SD-CG 4.38Å
240V96.1Very high97.2Very high0 Ų07.6 Ų7.60%04%0.043CC..SBendtrans-87.4137.3176.5-174.10000109.8V236 T237 P238 Q242 Q390 L398 R443 L447 Y529 F532V236-V240 HydrophobicContact CG1-CG2 4.15Å; V236-V240 PolarHBondContact O-N 2.89Å; T237-V240 PolarHBondContact O-N 2.83Å; P238-V240 VanDerWaalsContact C-N 3.35Å; V240-Q242 PolarHBondContact O-N 3.49Å; V240-Q390 HydrophobicContact CG1-CG 4.23Å; V240-L398 HydrophobicContact CG1-CD1 4.12Å; V240-L398 HydrophobicContact CG2-CD1 3.97Å; V240-L398 HydrophobicContact CG2-CD2 3.77Å; V240-L398 HydrophobicContact CG2-CG 4.33Å; V240-R443 PolarHBondContact O-NH2 2.95Å; V240-L447 HydrophobicContact CG2-CD1 4.18Å; V240-Y529 HydrophobicContact CB-CD1 4.03Å; V240-Y529 HydrophobicContact CB-CE1 3.92Å; V240-Y529 HydrophobicContact CG1-CD1 3.54Å; V240-Y529 HydrophobicContact CG1-CE1 3.94Å; V240-Y529 HydrophobicContact CG1-CG 4.35Å; V240-Y529 WeakPolarHBondContact O-CE1 3.29Å; V240-F532 HydrophobicContact CG2-CD1 4.27Å; V240-F532 HydrophobicContact CG2-CE1 4.24Å
241T95.1Very high96.8Very high14 Ų149.2 Ų9.29%0.0865%0.051CC..PPolyproline II helixtrans-63.1122.6178.3-64.70000110.3L243 F382 E389 Y529T241-L243 HydrophobicContact CG2-CD2 4.29Å; T241-F382 HydrophobicContact CG2-CE2 3.85Å; T241-F382 HydrophobicContact CG2-CZ 4.07Å; T241-E389 WeakPolarHBondContact CB-OE2 3.42Å; T241-E389 PolarHBondContact N-OE2 2.98Å; T241-E389 PolarHBondContact OG1-OE1 2.64Å; T241-E389 PolarHBondContact OG1-OE2 3.1Å; T241-Y529 VanDerWaalsContact O-CD1 3.24Å; T241-Y529 WeakPolarHBondContact O-CD1 3.43Å
242Q97.6Very high96.5Very high1 Ų111.7 Ų11.71%0.0056%0.064CC..PPolyproline II helixtrans-70.1134.5179.7-64.2173.68400111.2V240 L248 E251 Y529 A591V240-Q242 PolarHBondContact O-N 3.49Å; Q242-L248 WeakPolarHBondContact O-CD2 3.33Å; Q242-L248 VanDerWaalsContact O-CG 3.29Å; Q242-L248 WeakPolarHBondContact O-CG 3.16Å; Q242-E251 HydrophobicContact CB-CG 4.08Å; Q242-E251 HydrophobicContact CG-CG 4.47Å; Q242-E251 PolarHBondContact NE2-OE1 2.97Å; Q242-E251 VanDerWaalsContact NE2-OE1 3.12Å; Q242-Y529 HydrophobicContact CB-CE1 4.32Å; Q242-Y529 HydrophobicContact CG-CE1 3.94Å; Q242-A591 HydrophobicContact CB-CB 4.03Å; Q242-A591 HydrophobicContact CG-CB 3.77Å
243L97.5Very high96.3Very high12 Ų1211 Ų116%0.0636%0.055CC..  trans-116.1-2.2-175.4-58.8179.8000114.5T241 L248 F300 F382 L386 V528 S530T241-L243 HydrophobicContact CG2-CD2 4.29Å; L243-L248 HydrophobicContact CD2-CD2 4.41Å; L243-F300 PolarHBondContact O-N 2.88Å; L243-F382 HydrophobicContact CD2-CZ 3.98Å; L243-L386 HydrophobicContact CD1-CD1 4.2Å; L243-L386 HydrophobicContact CD1-CD2 4.49Å; L243-L386 HydrophobicContact CD2-CD1 4.28Å; L243-V528 PolarHBondContact N-O 3.48Å; L243-S530 VanDerWaalsContact CD1-OG 3.32Å; L243-S530 WeakPolarHBondContact CD1-OG 3.21Å
244S98Very high96.1Very high0 Ų014 Ų140%07%0.07CC..BIsolated β-bridgetrans-65.8155.2163.265.60000111.5E246 G247 L248 L298 V528S244-E246 PolarHBondContact O-N 3.18Å; S244-G247 PolarHBondContact O-N 3.23Å; S244-G247 PolarHBondContact OG-N 2.71Å; S244-G247 VanDerWaalsContact OG-N 3.16Å; S244-L248 PolarHBondContact O-N 3.01Å; S244-L298 CarbonylContact C-O 3.58Å; S244-L298 WeakPolarHBondContact CA-O 3.38Å; S244-V528 PolarHBondContact N-O 3.44Å
245Y98.6Very high95.9Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-56.2-51180-176.8-127.9000112.8L248 I249 Y292 L295 L298 F300 V303 H366 I369 A370 I373Y245-L248 PolarHBondContact O-N 2.82Å; Y245-I249 HydrophobicContact CD1-CD1 4.19Å; Y245-I249 HydrophobicContact CD2-CD1 4.43Å; Y245-I249 HydrophobicContact CE1-CD1 3.88Å; Y245-I249 HydrophobicContact CE2-CD1 4.16Å; Y245-I249 HydrophobicContact CG-CD1 4.46Å; Y245-I249 WeakPolarHBondContact O-CG1 3.49Å; Y245-I249 PolarHBondContact O-N 3.05Å; Y245-I249 VanDerWaalsContact O-N 3.08Å; Y245-Y292 HydrophobicContact CD1-CD2 4.44Å; Y245-Y292 HydrophobicContact CD1-CE2 4.11Å; Y245-Y292 HydrophobicContact CE1-CD2 4.06Å; Y245-Y292 AromaticContact CE1-CE2 3.93Å; Y245-Y292 HydrophobicContact CE1-CE2 3.93Å; Y245-L295 WeakPolarHBondContact CB-O 3.38Å; Y245-L295 HydrophobicContact CD1-CB 3.8Å; Y245-L295 HydrophobicContact CE1-CB 4.07Å; Y245-L295 HydrophobicContact CE1-CD1 4.45Å; Y245-L298 PolarHBondContact N-O 2.75Å; Y245-F300 HydrophobicContact CD2-CD2 4.08Å; Y245-F300 HydrophobicContact CD2-CE2 4.32Å; Y245-V303 HydrophobicContact CD2-CG1 4.18Å; Y245-V303 HydrophobicContact CD2-CG2 4Å; Y245-V303 HydrophobicContact CE2-CG1 4.24Å; Y245-V303 HydrophobicContact CG-CG2 3.94Å; Y245-H366 AromaticContact CE1-ND1 3.63Å; Y245-H366 AromaticContact CZ-ND1 3.75Å; Y245-H366 PolarHBondContact OH-ND1 2.93Å; Y245-H366 PolarHBondContact OH-O 3.46Å; Y245-I369 HydrophobicContact CE2-CG2 4.18Å; Y245-I369 WeakPolarHBondContact OH-CB 3.31Å; Y245-I369 WeakPolarHBondContact OH-CG2 3.39Å; Y245-A370 HydrophobicContact CE2-CB 4.39Å; Y245-I373 HydrophobicContact CD2-CD1 3.89Å; Y245-I373 HydrophobicContact CE2-CD1 3.65Å
246E98.3Very high95.6Very high9 Ų917.1 Ų17.14%0.0428%0.083CC..Hα-helixtrans-66.7-37.4177.8175.5169.6-122.700112S244 I249 D250 I255 Y292 R296 L590 R597S244-E246 PolarHBondContact O-N 3.18Å; E246-I249 PolarHBondContact O-N 3.05Å; E246-D250 PolarHBondContact O-N 3Å; E246-I255 HydrophobicContact CG-CD1 3.96Å; E246-Y292 WeakPolarHBondContact CB-OH 3.48Å; E246-Y292 VanDerWaalsContact CG-OH 3.24Å; E246-Y292 WeakPolarHBondContact CG-OH 3.42Å; E246-Y292 PolarHBondContact OE1-OH 2.58Å; E246-R296 HydrophobicContact CB-CB 3.8Å; E246-R296 WeakPolarHBondContact CB-O 3.04Å; E246-R296 PolarHBondContact N-O 3.4Å; E246-L590 HydrophobicContact CG-CB 4.06Å; E246-L590 HydrophobicContact CG-CD1 3.55Å; E246-L590 HydrophobicContact CG-CD2 4.44Å; E246-L590 HydrophobicContact CG-CG 4.21Å; E246-R597 IonicContact OE2-NH1 2.71Å; E246-R597 PolarHBondContact OE2-NH1 2.87Å
247G98Very high95.4Very high0 Ų017.1 Ų17.10%08%0.083CC..Hα-helixtrans-58.6-45.9172.200000113.3S244 D250 E251S244-G247 PolarHBondContact O-N 3.23Å; S244-G247 PolarHBondContact OG-N 2.71Å; S244-G247 VanDerWaalsContact OG-N 3.16Å; G247-D250 PolarHBondContact O-N 3.35Å; G247-E251 WeakPolarHBondContact O-CG 3.33Å; G247-E251 PolarHBondContact O-N 3.07Å
248L95.9Very high95.2Very high1 Ų117.6 Ų17.61%0.0059%0.088CC..Hα-helixtrans-67.9-35.8177.3-78.3174.6000112.7Q242 L243 S244 Y245 D250 E251 I252 F300 I373 T377 F382Q242-L248 WeakPolarHBondContact O-CD2 3.33Å; Q242-L248 VanDerWaalsContact O-CG 3.29Å; Q242-L248 WeakPolarHBondContact O-CG 3.16Å; L243-L248 HydrophobicContact CD2-CD2 4.41Å; S244-L248 PolarHBondContact O-N 3.01Å; Y245-L248 PolarHBondContact O-N 2.82Å; L248-D250 VanDerWaalsContact C-N 3.26Å; L248-D250 PolarHBondContact O-N 2.94Å; L248-E251 PolarHBondContact O-N 2.92Å; L248-I252 WeakPolarHBondContact O-CB 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-F300 HydrophobicContact CD1-CB 3.46Å; L248-F300 VanDerWaalsContact CD1-CB 3.46Å; L248-F300 HydrophobicContact CD1-CD1 3.96Å; L248-F300 HydrophobicContact CD1-CD2 4.03Å; L248-F300 HydrophobicContact CD1-CG 3.54Å; L248-I373 HydrophobicContact CB-CD1 4.38Å; L248-I373 HydrophobicContact CB-CG2 4Å; L248-I373 HydrophobicContact CD1-CG2 3.71Å; L248-I373 HydrophobicContact CG-CG2 4.4Å; L248-T377 HydrophobicContact CD1-CG2 4.13Å; L248-T377 HydrophobicContact CD2-CG2 4.49Å; L248-F382 HydrophobicContact CD2-CE2 4.11Å; L248-F382 HydrophobicContact CD2-CZ 4.09Å
249I96.2Very high95Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-59.5-43.1172-65.8167000109.7Y245 E246 I252 Y253 N254 I255 A260 F262 L285 Y292 I369 I373Y245-I249 HydrophobicContact CD1-CD1 4.19Å; Y245-I249 HydrophobicContact CD2-CD1 4.43Å; Y245-I249 HydrophobicContact CE1-CD1 3.88Å; Y245-I249 HydrophobicContact CE2-CD1 4.16Å; Y245-I249 HydrophobicContact CG-CD1 4.46Å; Y245-I249 WeakPolarHBondContact O-CG1 3.49Å; Y245-I249 PolarHBondContact O-N 3.05Å; Y245-I249 VanDerWaalsContact O-N 3.08Å; E246-I249 PolarHBondContact O-N 3.05Å; I249-I252 PolarHBondContact O-N 3.08Å; I249-Y253 WeakPolarHBondContact O-CA 3.44Å; I249-Y253 WeakPolarHBondContact O-CB 3.46Å; I249-Y253 PolarHBondContact O-N 3.41Å; I249-N254 PolarHBondContact O-N 3.28Å; I249-I255 HydrophobicContact CB-CD1 4.07Å; I249-I255 HydrophobicContact CG2-CD1 3.78Å; I249-I255 HydrophobicContact CG2-CG1 3.84Å; I249-A260 HydrophobicContact CG2-CB 4.2Å; I249-F262 HydrophobicContact CG2-CE1 4.17Å; I249-F262 HydrophobicContact CG2-CZ 3.78Å; I249-L285 HydrophobicContact CD1-CD1 4.45Å; I249-L285 HydrophobicContact CG2-CD1 3.78Å; I249-Y292 HydrophobicContact CD1-CE2 4.12Å; I249-I369 HydrophobicContact CD1-CG2 4.01Å; I249-I369 HydrophobicContact CG1-CG2 4Å; I249-I373 HydrophobicContact CG1-CD1 3.63Å
250D96.1Very high94.8Very high3 Ų319 Ų192%0.01610%0.097CC..Hα-helixtrans-68.5-40.2178.9-169.531000113E246 G247 L248 I252 N254 I255 L590 T616 R619E246-D250 PolarHBondContact O-N 3Å; G247-D250 PolarHBondContact O-N 3.35Å; L248-D250 VanDerWaalsContact C-N 3.26Å; L248-D250 PolarHBondContact O-N 2.94Å; D250-I252 VanDerWaalsContact C-N 3.31Å; D250-I252 PolarHBondContact O-N 3.06Å; D250-N254 VanDerWaalsContact O-CA 3.26Å; D250-N254 WeakPolarHBondContact O-CA 3.44Å; D250-N254 PolarHBondContact O-N 3.19Å; D250-N254 VanDerWaalsContact O-N 3.1Å; D250-I255 HydrophobicContact CB-CB 4.21Å; D250-I255 HydrophobicContact CB-CD1 4.1Å; D250-I255 HydrophobicContact CB-CG1 4.03Å; D250-I255 PolarHBondContact OD1-N 3.22Å; D250-L590 HydrophobicContact CB-CD1 3.72Å; D250-T616 HydrophobicContact CB-CG2 4.44Å; D250-T616 WeakPolarHBondContact OD2-CG2 3.21Å; D250-R619 IonicContact OD1-CZ 2.93Å; D250-R619 IonicContact OD1-NE 3.34Å; D250-R619 IonicContact OD1-NH2 2.72Å; D250-R619 PolarHBondContact OD1-NH2 3.24Å; D250-R619 IonicContact OD2-CZ 2.75Å; D250-R619 IonicContact OD2-NH2 3.13Å; D250-R619 PolarHBondContact OD2-NH2 2.87Å
251E91.3Very high94.5Very high36 Ų3624 Ų2417%0.16812%0.12CC..Hα-helixtrans-62.9-35.3175.7-69.3-67.6178.200113.1Q242 G247 L248 R443Q242-E251 HydrophobicContact CB-CG 4.08Å; Q242-E251 HydrophobicContact CG-CG 4.47Å; Q242-E251 PolarHBondContact NE2-OE1 2.97Å; Q242-E251 VanDerWaalsContact NE2-OE1 3.12Å; G247-E251 WeakPolarHBondContact O-CG 3.33Å; G247-E251 PolarHBondContact O-N 3.07Å; L248-E251 PolarHBondContact O-N 2.92Å; E251-R443 VanDerWaalsContact CD-NH1 3.33Å; E251-R443 IonicContact OE1-CZ 2.89Å; E251-R443 IonicContact OE1-NH1 3.72Å; E251-R443 PolarHBondContact OE1-NH1 2.87Å; E251-R443 IonicContact OE1-NH2 3.53Å; E251-R443 PolarHBondContact OE1-NH2 3.4Å; E251-R443 IonicContact OE2-CZ 3.7Å; E251-R443 IonicContact OE2-NH1 3.85Å; E251-R443 PolarHBondContact OE2-NH1 3.39Å; E251-R443 IonicContact OE2-NH2 2.83Å
252I91.2Very high94.3Very high53 Ų5323.4 Ų23.427%0.27212%0.115SC..Hα-helixtrans-97.5-43.6-172.8-59.6166.9000112.2L248 I249 D250 I373 V376L248-I252 WeakPolarHBondContact O-CB 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.45Å; I249-I252 PolarHBondContact O-N 3.08Å; D250-I252 VanDerWaalsContact C-N 3.31Å; D250-I252 PolarHBondContact O-N 3.06Å; I252-I373 HydrophobicContact CD1-CB 4.4Å; I252-I373 HydrophobicContact CD1-CG1 4.21Å; I252-I373 HydrophobicContact CD1-CG2 4.07Å; I252-V376 HydrophobicContact CD1-CB 3.9Å; I252-V376 HydrophobicContact CD1-CG1 3.93Å; I252-V376 HydrophobicContact CD1-CG2 4.09Å; I252-V376 HydrophobicContact CG1-CG1 4.25Å; I252-V376 HydrophobicContact CG2-CG2 4.17Å
253Y91.8Very high93.9Very high47 Ų4725.4 Ų25.418%0.18413%0.129CC..Hα-helixtrans-114.8-1.8-170.5-61.5-74.4000114.2I249 F262 M372 I373I249-Y253 WeakPolarHBondContact O-CA 3.44Å; I249-Y253 WeakPolarHBondContact O-CB 3.46Å; I249-Y253 PolarHBondContact O-N 3.41Å; Y253-F262 AromaticContact CD1-CD1 3.94Å; Y253-F262 HydrophobicContact CD1-CD1 3.94Å; Y253-F262 HydrophobicContact CD1-CE1 4.3Å; Y253-F262 AromaticContact CD2-CD1 3.95Å; Y253-F262 HydrophobicContact CD2-CD1 3.95Å; Y253-F262 AromaticContact CD2-CE1 3.57Å; Y253-F262 HydrophobicContact CD2-CE1 3.57Å; Y253-F262 HydrophobicContact CE1-CD1 4.21Å; Y253-F262 HydrophobicContact CE2-CD1 4.21Å; Y253-F262 HydrophobicContact CE2-CE1 4.1Å; Y253-F262 AromaticContact CG-CD1 3.82Å; Y253-F262 HydrophobicContact CG-CD1 3.82Å; Y253-F262 AromaticContact CG-CE1 3.69Å; Y253-F262 HydrophobicContact CG-CE1 3.69Å; Y253-M372 HydrophobicContact CE1-CE 3.88Å; Y253-M372 WeakPolarHBondContact OH-CB 3.33Å; Y253-M372 VanDerWaalsContact OH-CE 3.23Å; Y253-M372 WeakPolarHBondContact OH-CE 3.41Å; Y253-I373 HydrophobicContact CE2-CG1 4.43Å
254N91.2Very high93.5Very high77 Ų7728.3 Ų28.341%0.41214%0.139SC..  trans57.195176.6-178.446.2000113.3I249 D250 K256 R619I249-N254 PolarHBondContact O-N 3.28Å; D250-N254 VanDerWaalsContact O-CA 3.26Å; D250-N254 WeakPolarHBondContact O-CA 3.44Å; D250-N254 PolarHBondContact O-N 3.19Å; D250-N254 VanDerWaalsContact O-N 3.1Å; N254-K256 PolarHBondContact O-N 3.17Å; N254-R619 WeakPolarHBondContact OD1-CD 3.48Å
255I93.5Very high93Very high11 Ų1132.9 Ų32.96%0.05618%0.177CC..  trans-76.8120.3174.5-62.3178.7000108.3E246 I249 D250 C259 A260 L285 L590E246-I255 HydrophobicContact CG-CD1 3.96Å; I249-I255 HydrophobicContact CB-CD1 4.07Å; I249-I255 HydrophobicContact CG2-CD1 3.78Å; I249-I255 HydrophobicContact CG2-CG1 3.84Å; D250-I255 HydrophobicContact CB-CB 4.21Å; D250-I255 HydrophobicContact CB-CD1 4.1Å; D250-I255 HydrophobicContact CB-CG1 4.03Å; D250-I255 PolarHBondContact OD1-N 3.22Å; I255-C259 WeakPolarHBondContact CA-O 3.44Å; I255-A260 HydrophobicContact CG1-CB 4.18Å; I255-L285 HydrophobicContact CD1-CD1 3.76Å; I255-L285 HydrophobicContact CG1-CD1 4.02Å; I255-L590 HydrophobicContact CB-CD1 4.31Å; I255-L590 HydrophobicContact CD1-CD1 3.74Å
256K92.7Very high92.4Very high86 Ų8636 Ų3637%0.37419%0.194SC..BIsolated β-bridgetrans-126.2126.5174.7-169169.2170.7173.60110Q46 N254 G258 C259Q46-K256 VanDerWaalsContact OE1-CE 3.24Å; N254-K256 PolarHBondContact O-N 3.17Å; K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 2.93Å; K256-C259 PolarHBondContact N-O 3.43Å; K256-C259 PolarHBondContact O-N 3.39Å
257C93Very high91.9Very high8 Ų837.2 Ų37.25%0.05420%0.199CC..THydrogen-bonded Turntrans49.445.7-176.4-49.30000112.9Q46 L50 E157 C259Q46-C257 HydrophobicContact CB-CB 4.27Å; L50-C257 HydrophobicContact CD1-CB 3.94Å; L50-C257 HydrophobicContact CG-CB 4.39Å; E157-C257 PolarHBondContact OE2-SG 2.88Å; C257-C259 VanDerWaalsContact C-N 3.25Å; C257-C259 PolarHBondContact O-N 3.25Å
258G92.4Very high90.5Very high10 Ų1043.9 Ų43.910%0.10324%0.239CC..THydrogen-bonded Turntrans66.820-179.800000114.8K256 L285K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 2.93Å; G258-L285 PolarHBondContact O-N 2.89Å
259C93.9Very high88.7Confident28 Ų2847 Ų4719%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-131.2147.3177.3-64.60000111.6I255 K256 C257 K282 L283I255-C259 WeakPolarHBondContact CA-O 3.44Å; K256-C259 PolarHBondContact N-O 3.43Å; K256-C259 PolarHBondContact O-N 3.39Å; C257-C259 VanDerWaalsContact C-N 3.25Å; C257-C259 PolarHBondContact O-N 3.25Å; C259-K282 HydrophobicContact CB-CG 4.33Å; C259-L283 VanDerWaalsContact CA-O 3.25Å; C259-L283 WeakPolarHBondContact CA-O 3.43Å
260A91.8Very high86.5Confident2 Ų252.2 Ų52.22%0.01730%0.3CS..EExtended strand (participates in β ladder)trans-130.315717000000111.4I249 I255 F262 K282 L283 L285I249-A260 HydrophobicContact CG2-CB 4.2Å; I255-A260 HydrophobicContact CG1-CB 4.18Å; A260-F262 HydrophobicContact CB-CD2 4.46Å; A260-F262 HydrophobicContact CB-CE2 3.6Å; A260-F262 HydrophobicContact CB-CZ 3.71Å; A260-K282 WeakPolarHBondContact O-CA 3.43Å; A260-L283 PolarHBondContact N-O 2.8Å; A260-L283 PolarHBondContact O-N 3.12Å; A260-L285 HydrophobicContact CB-CD1 3.83Å
261K91.6Very high83.6Confident107 Ų10758.2 Ų58.247%0.46534%0.342SS..EExtended strand (participates in β ladder)trans-110.4127.1176.9-70.5-171.3177.9-164.10109.9Y280 L281 K282K261-Y280 HydrophobicContact CB-CD1 4.39Å; K261-L281 WeakPolarHBondContact CA-O 3.34Å; K261-K282 HydrophobicContact CG-CB 4.4Å
262F90.1Very high81.2Confident0 Ų060 Ų600%036%0.363CS..EExtended strand (participates in β ladder)trans-120.1145.1-179.5-57.2-89.3000110.9I249 Y253 A260 R264 F267 Y280 L281 L283 L285 I369I249-F262 HydrophobicContact CG2-CE1 4.17Å; I249-F262 HydrophobicContact CG2-CZ 3.78Å; Y253-F262 AromaticContact CD1-CD1 3.94Å; Y253-F262 HydrophobicContact CD1-CD1 3.94Å; Y253-F262 HydrophobicContact CD1-CE1 4.3Å; Y253-F262 AromaticContact CD2-CD1 3.95Å; Y253-F262 HydrophobicContact CD2-CD1 3.95Å; Y253-F262 AromaticContact CD2-CE1 3.57Å; Y253-F262 HydrophobicContact CD2-CE1 3.57Å; Y253-F262 HydrophobicContact CE1-CD1 4.21Å; Y253-F262 HydrophobicContact CE2-CD1 4.21Å; Y253-F262 HydrophobicContact CE2-CE1 4.1Å; Y253-F262 AromaticContact CG-CD1 3.82Å; Y253-F262 HydrophobicContact CG-CD1 3.82Å; Y253-F262 AromaticContact CG-CE1 3.69Å; Y253-F262 HydrophobicContact CG-CE1 3.69Å; A260-F262 HydrophobicContact CB-CD2 4.46Å; A260-F262 HydrophobicContact CB-CE2 3.6Å; A260-F262 HydrophobicContact CB-CZ 3.71Å; F262-R264 PolarHBondContact O-N 2.97Å; F262-F267 HydrophobicContact CB-CE2 3.52Å; F262-F267 HydrophobicContact CB-CZ 3.8Å; F262-F267 HydrophobicContact CG-CE2 4.38Å; F262-F267 HydrophobicContact CG-CZ 4.16Å; F262-Y280 CarbonylContact O-C 3.56Å; F262-Y280 VanDerWaalsContact O-CA 3.28Å; F262-Y280 WeakPolarHBondContact O-CA 3.41Å; F262-L281 PolarHBondContact N-O 3.14Å; F262-L281 PolarHBondContact O-N 3.41Å; F262-L283 HydrophobicContact CD2-CB 4.34Å; F262-L283 HydrophobicContact CD2-CD1 3.77Å; F262-L283 HydrophobicContact CD2-CG 4.13Å; F262-L283 HydrophobicContact CE2-CB 4.11Å; F262-L283 HydrophobicContact CE2-CD1 3.9Å; F262-L283 HydrophobicContact CE2-CG 4.32Å; F262-L285 HydrophobicContact CZ-CD1 4.43Å; F262-I369 HydrophobicContact CD1-CG1 4.22Å; F262-I369 HydrophobicContact CE1-CD1 4.21Å; F262-I369 HydrophobicContact CE1-CG1 3.99Å; F262-I369 HydrophobicContact CE1-CG2 4.03Å; F262-I369 HydrophobicContact CE2-CD1 4.14Å; F262-I369 HydrophobicContact CZ-CD1 3.9Å; F262-I369 HydrophobicContact CZ-CG1 4.2Å; F262-I369 HydrophobicContact CZ-CG2 4.43Å
263P89.2Confident78.6Confident44 Ų4463.3 Ų63.329%0.28639%0.391SS..EExtended strand (participates in β ladder)trans-53.5119.8172.3-2632.3000112.1A265 N266 F267 Y280 M372P263-A265 PolarHBondContact O-N 3.44Å; P263-N266 PolarHBondContact O-N 3.21Å; P263-F267 WeakPolarHBondContact O-CD2 3.45Å; P263-F267 WeakPolarHBondContact O-CE2 3.32Å; P263-Y280 HydrophobicContact CG-CE1 4.48Å; P263-M372 HydrophobicContact CG-CE 4.01Å
264R88.6Confident76.2Confident73 Ų7365.4 Ų65.428%0.27541%0.413SS..G310 helixtrans-65.1-28.5-173.8-165.8173-162.7144.12.8113F262 N266 F267 D270 D279 L281F262-R264 PolarHBondContact O-N 2.97Å; R264-N266 PolarHBondContact O-N 3.22Å; R264-N266 VanDerWaalsContact O-N 3.15Å; R264-F267 PolarHBondContact O-N 2.86Å; R264-D270 IonicContact CZ-OD2 2.76Å; R264-D270 IonicContact NE-OD2 3.59Å; R264-D270 IonicContact NH2-OD2 3.77Å; R264-D270 PolarHBondContact NH2-OD2 2.91Å; R264-D279 WeakPolarHBondContact CB-O 3.49Å; R264-D279 PolarHBondContact N-O 3.44Å; R264-L281 HydrophobicContact CG-CB 4.5Å
265A87.4Confident74.3Confident96 Ų9667.7 Ų67.779%0.79343%0.431SS*.G310 helixtrans-58.6-25.9-178.200000114.2P263 F267P263-A265 PolarHBondContact O-N 3.44Å; A265-F267 VanDerWaalsContact C-N 3.33Å
266N86.6Confident72.5Confident66 Ų6670.3 Ų70.335%0.35345%0.449SS..G310 helixtrans-77.8-18.8178.9-66.976000112.9P263 R264 T268 T368 M372P263-N266 PolarHBondContact O-N 3.21Å; R264-N266 PolarHBondContact O-N 3.22Å; R264-N266 VanDerWaalsContact O-N 3.15Å; N266-T268 PolarHBondContact O-N 2.79Å; N266-T368 HydrophobicContact CB-CG2 3.8Å; N266-T368 VanDerWaalsContact O-CG2 3.31Å; N266-T368 WeakPolarHBondContact O-CG2 3.39Å; N266-M372 HydrophobicContact CB-CG 4.45Å; N266-M372 HydrophobicContact CB-SD 3.86Å
267F87.6Confident71Confident34 Ų3471.8 Ų71.815%0.14948%0.477CS..  trans-95.3101.6-177.1-61.3-91.5000109.9F262 P263 R264 A265 L281 L283 T365 T368 I369 M372F262-F267 HydrophobicContact CB-CE2 3.52Å; F262-F267 HydrophobicContact CB-CZ 3.8Å; F262-F267 HydrophobicContact CG-CE2 4.38Å; F262-F267 HydrophobicContact CG-CZ 4.16Å; P263-F267 WeakPolarHBondContact O-CD2 3.45Å; P263-F267 WeakPolarHBondContact O-CE2 3.32Å; R264-F267 PolarHBondContact O-N 2.86Å; A265-F267 VanDerWaalsContact C-N 3.33Å; F267-L281 HydrophobicContact CB-CD2 4.39Å; F267-L281 HydrophobicContact CD1-CD2 4.05Å; F267-L281 HydrophobicContact CD2-CD2 3.93Å; F267-L281 HydrophobicContact CE1-CD2 4.33Å; F267-L281 HydrophobicContact CE2-CD2 4.23Å; F267-L281 HydrophobicContact CG-CD2 3.84Å; F267-L281 HydrophobicContact CZ-CD2 4.42Å; F267-L283 HydrophobicContact CE1-CD1 4.44Å; F267-L283 HydrophobicContact CZ-CD1 4.45Å; F267-T365 HydrophobicContact CE1-CG2 3.94Å; F267-T368 HydrophobicContact CD1-CG2 3.96Å; F267-T368 HydrophobicContact CD2-CG2 4.48Å; F267-T368 HydrophobicContact CE1-CG2 3.84Å; F267-T368 HydrophobicContact CE2-CG2 4.36Å; F267-T368 HydrophobicContact CG-CG2 4.29Å; F267-T368 HydrophobicContact CZ-CG2 4.05Å; F267-I369 HydrophobicContact CE1-CG1 4.23Å; F267-I369 HydrophobicContact CZ-CG1 4.02Å; F267-M372 HydrophobicContact CE2-SD 4.4Å; F267-M372 HydrophobicContact CZ-SD 4.45Å
268T69.1Low69.9Low139 Ų13975.1 Ų75.185%0.85350%0.495SS*.THydrogen-bonded Turntrans-84.5113.3175.5560000109.7N266N266-T268 PolarHBondContact O-N 2.79Å
269G57.9Low69.5Low68 Ų6881 Ų8170%0.70152%0.524SS*.THydrogen-bonded Turntrans161.2-19.217900000117.4S271G269-S271 VanDerWaalsContact C-N 3.3Å; G269-S271 PolarHBondContact O-N 3.48Å; G269-S271 VanDerWaalsContact O-N 3.12Å
270D49.1Very low69.1Low108 Ų10885 Ų8558%0.57854%0.536SS*.  trans-86.870.4172.3-81.8-11.6000110.5R264 A272R264-D270 IonicContact CZ-OD2 2.76Å; R264-D270 IonicContact NE-OD2 3.59Å; R264-D270 IonicContact NH2-OD2 3.77Å; R264-D270 PolarHBondContact NH2-OD2 2.91Å; D270-A272 PolarHBondContact O-N 3.14Å
271S36.4Very low69Low130 Ų13086.7 Ų86.791%0.90954%0.544SS*.  trans-73.371.7159.4-63.10000108.5G269G269-S271 VanDerWaalsContact C-N 3.3Å; G269-S271 PolarHBondContact O-N 3.48Å; G269-S271 VanDerWaalsContact O-N 3.12Å
272A41Very low69Low73 Ų7386.6 Ų86.660%0.60354%0.544SS*.  trans-125125.6173.900000110.1D270 S274D270-A272 PolarHBondContact O-N 3.14Å; A272-S274 PolarHBondContact O-N 3.23Å
273S36.3Very low69.1Low123 Ų12388.3 Ų88.386%0.8655%0.553SS**SBendtrans-52.595179.649.20000113.8
274S41.7Very low69.4Low91 Ų9189.2 Ų89.264%0.63656%0.564SS**SBendtrans148.4141.4156.845.80000108.5A272 P276A272-S274 PolarHBondContact O-N 3.23Å; S274-P276 WeakPolarHBondContact O-CD 3.48Å; S274-P276 VanDerWaalsContact O-N 3.11Å
275P51.6Low69.7Low124 Ų12486 Ų8681%0.80555%0.553SS**  trans-61.5117.5172.225.3-30.1000107.6A277P275-A277 PolarHBondContact O-N 3.28Å
276P54.6Low70Confident66 Ų6682.9 Ų82.943%0.42952%0.522SS..  trans-63.3140.8174.824.5-29.4000108.6S274 D278S274-P276 WeakPolarHBondContact O-CD 3.48Å; S274-P276 VanDerWaalsContact O-N 3.11Å; P276-D278 PolarHBondContact O-N 3.4Å
277A60.8Low70.4Confident117 Ų11781.1 Ų81.197%0.96752%0.515SS*.SBendtrans-66.3-7.7-174.900000114.7P275P275-A277 PolarHBondContact O-N 3.28Å
278D69.5Low70.6Confident79 Ų7986 Ų8642%0.42254%0.543SS..  trans-125.5127.7-174.9-157.8-12.6000110.5P276 Y280P276-D278 PolarHBondContact O-N 3.4Å; D278-Y280 PolarHBondContact O-N 3.44Å; D278-Y280 PolarHBondContact OD1-N 3.49Å
279D84Confident71.8Confident134 Ų13481.7 Ų81.772%0.71752%0.515SS*.SBendtrans-67.7-10.8177.7-71.3-27.3000112.3R264R264-D279 WeakPolarHBondContact CB-O 3.49Å; R264-D279 PolarHBondContact N-O 3.44Å
280Y86.2Confident73.4Confident111 Ų11183.6 Ų83.644%0.43551%0.508SS..EExtended strand (participates in β ladder)trans-116.1142.1-176.4-61.8-89.9000112.9K261 F262 P263 D278K261-Y280 HydrophobicContact CB-CD1 4.39Å; F262-Y280 CarbonylContact O-C 3.56Å; F262-Y280 VanDerWaalsContact O-CA 3.28Å; F262-Y280 WeakPolarHBondContact O-CA 3.41Å; P263-Y280 HydrophobicContact CG-CE1 4.48Å; D278-Y280 PolarHBondContact O-N 3.44Å; D278-Y280 PolarHBondContact OD1-N 3.49Å
281L89.3Confident75.6Confident37 Ų3778.6 Ų78.619%0.19448%0.481CS..EExtended strand (participates in β ladder)trans-93.6115.8167.7-178.463.8000109.2K261 F262 R264 F267 L283K261-L281 WeakPolarHBondContact CA-O 3.34Å; F262-L281 PolarHBondContact N-O 3.14Å; F262-L281 PolarHBondContact O-N 3.41Å; R264-L281 HydrophobicContact CG-CB 4.5Å; F267-L281 HydrophobicContact CB-CD2 4.39Å; F267-L281 HydrophobicContact CD1-CD2 4.05Å; F267-L281 HydrophobicContact CD2-CD2 3.93Å; F267-L281 HydrophobicContact CE1-CD2 4.33Å; F267-L281 HydrophobicContact CE2-CD2 4.23Å; F267-L281 HydrophobicContact CG-CD2 3.84Å; F267-L281 HydrophobicContact CZ-CD2 4.42Å; L281-L283 HydrophobicContact CD1-CD2 4.36Å; L281-L283 HydrophobicContact CD2-CD1 4.28Å; L281-L283 HydrophobicContact CD2-CD2 3.89Å; L281-L283 HydrophobicContact CD2-CG 4.17Å; L281-L283 HydrophobicContact CG-CD2 3.86Å; L281-L283 HydrophobicContact CG-CG 4.04Å
282K91.3Very high78.5Confident106 Ų10672.4 Ų72.446%0.46144%0.438SS..EExtended strand (participates in β ladder)trans-84.7120.5171.9-173.2-176.6178.6-172.90109.2D49 C259 A260 K261D49-K282 IonicContact OD2-NZ 3.86Å; C259-K282 HydrophobicContact CB-CG 4.33Å; A260-K282 WeakPolarHBondContact O-CA 3.43Å; K261-K282 HydrophobicContact CG-CB 4.4Å
283L93.4Very high81.1Confident35 Ų3570.7 Ų70.718%0.18342%0.421CS..EExtended strand (participates in β ladder)trans-115.5137.1177-62.8177000110.2C259 A260 F262 F267 L281 T365 I369C259-L283 VanDerWaalsContact CA-O 3.25Å; C259-L283 WeakPolarHBondContact CA-O 3.43Å; A260-L283 PolarHBondContact N-O 2.8Å; A260-L283 PolarHBondContact O-N 3.12Å; F262-L283 HydrophobicContact CD2-CB 4.34Å; F262-L283 HydrophobicContact CD2-CD1 3.77Å; F262-L283 HydrophobicContact CD2-CG 4.13Å; F262-L283 HydrophobicContact CE2-CB 4.11Å; F262-L283 HydrophobicContact CE2-CD1 3.9Å; F262-L283 HydrophobicContact CE2-CG 4.32Å; F267-L283 HydrophobicContact CE1-CD1 4.44Å; F267-L283 HydrophobicContact CZ-CD1 4.45Å; L281-L283 HydrophobicContact CD1-CD2 4.36Å; L281-L283 HydrophobicContact CD2-CD1 4.28Å; L281-L283 HydrophobicContact CD2-CD2 3.89Å; L281-L283 HydrophobicContact CD2-CG 4.17Å; L281-L283 HydrophobicContact CG-CD2 3.86Å; L281-L283 HydrophobicContact CG-CG 4.04Å; L283-T365 HydrophobicContact CD1-CG2 3.5Å; L283-T365 VanDerWaalsContact CD1-CG2 3.5Å; L283-I369 HydrophobicContact CD1-CD1 3.97Å
284A94.2Very high83.9Confident64 Ų6469.2 Ų69.253%0.52940%0.401SS..EExtended strand (participates in β ladder)trans-82.4133.2168.300000109.2
285L95.6Very high86.6Confident5 Ų565 Ų653%0.02637%0.371CS..  trans-122.693.5-174.1-65.4179.6000107.8I249 I255 G258 A260 F262 Y292I249-L285 HydrophobicContact CD1-CD1 4.45Å; I249-L285 HydrophobicContact CG2-CD1 3.78Å; I255-L285 HydrophobicContact CD1-CD1 3.76Å; I255-L285 HydrophobicContact CG1-CD1 4.02Å; G258-L285 PolarHBondContact O-N 2.89Å; A260-L285 HydrophobicContact CB-CD1 3.83Å; F262-L285 HydrophobicContact CZ-CD1 4.43Å; L285-Y292 VanDerWaalsContact C-CE1 3.46Å; L285-Y292 HydrophobicContact CB-CD1 4.41Å; L285-Y292 HydrophobicContact CB-CE1 3.64Å; L285-Y292 HydrophobicContact CD2-CD2 4.39Å; L285-Y292 HydrophobicContact CD2-CE1 4.38Å; L285-Y292 HydrophobicContact CD2-CE2 4.03Å
286N94.4Very high88.8Confident30 Ų3059.4 Ų59.416%0.1633%0.334CS..SBendtrans-158.1175.1179.957.157.9000110.5D150 N288 D289D150-N286 WeakPolarHBondContact OD2-CA 3.46Å; D150-N286 WeakPolarHBondContact OD2-CB 3.37Å; N286-N288 PolarHBondContact O-N 3.01Å; N286-N288 WeakPolarHBondContact OD1-CB 3.06Å; N286-N288 PolarHBondContact OD1-N 3.06Å; N286-N288 VanDerWaalsContact OD1-N 3.1Å; N286-N288 PolarHBondContact OD1-ND2 3.35Å; N286-D289 PolarHBondContact O-N 3.27Å
287S93.9Very high90.8Very high29 Ų2957.6 Ų57.620%0.20332%0.321CS..THydrogen-bonded Turntrans-66.8-0.3-175.175.20000116D150D150-S287 WeakPolarHBondContact OD1-CB 3.5Å; D150-S287 PolarHBondContact OD1-OG 2.97Å; D150-S287 VanDerWaalsContact OD1-OG 3.12Å; D150-S287 PolarHBondContact OD2-N 2.98Å
288N92.1Very high92.6Very high137 Ų13754.3 Ų54.373%0.73329%0.287SS*.THydrogen-bonded Turntrans-70.1-26.4172.2-64.9-50.6000111.8N286N286-N288 PolarHBondContact O-N 3.01Å; N286-N288 WeakPolarHBondContact OD1-CB 3.06Å; N286-N288 PolarHBondContact OD1-N 3.06Å; N286-N288 VanDerWaalsContact OD1-N 3.1Å; N286-N288 PolarHBondContact OD1-ND2 3.35Å
289D93.9Very high94Very high48 Ų4850.9 Ų50.926%0.25727%0.268SS..SBendtrans-86.3108.6164-173.3-24.9000108.9N286 L291 Y292 S293 S362 H366N286-D289 PolarHBondContact O-N 3.27Å; D289-L291 VanDerWaalsContact C-N 3.3Å; D289-L291 PolarHBondContact O-N 3.29Å; D289-L291 PolarHBondContact OD1-N 3.17Å; D289-Y292 PolarHBondContact O-N 2.97Å; D289-Y292 PolarHBondContact OD1-N 3.26Å; D289-S293 PolarHBondContact O-N 3.43Å; D289-S362 PolarHBondContact OD1-OG 3.23Å; D289-S362 VanDerWaalsContact OD2-CB 3.23Å; D289-S362 WeakPolarHBondContact OD2-CB 3.31Å; D289-S362 PolarHBondContact OD2-OG 3Å; D289-H366 IonicContact OD2-NE2 3.94Å
290I92.6Very high94.6Very high109 Ų10945.9 Ų45.956%0.55924%0.24SC*.Hα-helixtrans-59.3-42.9-178.3-60.9172.1000110.6S293 E294I290-S293 PolarHBondContact O-N 2.82Å; I290-S293 PolarHBondContact O-OG 3.36Å; I290-E294 PolarHBondContact O-N 2.94Å
291L95.1Very high95.1Very high2 Ų243.1 Ų43.11%0.0124%0.237CC..Hα-helixtrans-66.5-43.1179.6176.157.9000110.3D289 S293 E294 L295 L307 R310 A363D289-L291 VanDerWaalsContact C-N 3.3Å; D289-L291 PolarHBondContact O-N 3.29Å; D289-L291 PolarHBondContact OD1-N 3.17Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 3.3Å; L291-E294 WeakPolarHBondContact O-CB 3.49Å; L291-E294 PolarHBondContact O-N 3.39Å; L291-E294 VanDerWaalsContact O-N 3.08Å; L291-L295 HydrophobicContact CD1-CD1 3.82Å; L291-L295 HydrophobicContact CD1-CD2 4.44Å; L291-L295 HydrophobicContact CD1-CG 3.97Å; L291-L295 HydrophobicContact CD2-CD1 4.42Å; L291-L295 HydrophobicContact CG-CD1 3.78Å; L291-L295 HydrophobicContact CG-CG 4.33Å; L291-L295 WeakPolarHBondContact O-CG 3.35Å; L291-L295 PolarHBondContact O-N 3.11Å; L291-L295 VanDerWaalsContact O-N 3.13Å; L291-L307 HydrophobicContact CD2-CD2 4.25Å; L291-R310 HydrophobicContact CD1-CB 4.23Å; L291-R310 HydrophobicContact CD1-CG 3.89Å; L291-A363 VanDerWaalsContact CD2-CA 3.46Å; L291-A363 HydrophobicContact CD2-CB 3.82Å
292Y96.9Very high95.4Very high1 Ų141.7 Ų41.70%0.00423%0.23CC..Hα-helixtrans-58.4-40.8175.3-174.4-119.2000112Y245 E246 I249 L285 D289 E294 L295 R296 H366Y245-Y292 HydrophobicContact CD1-CD2 4.44Å; Y245-Y292 HydrophobicContact CD1-CE2 4.11Å; Y245-Y292 HydrophobicContact CE1-CD2 4.06Å; Y245-Y292 AromaticContact CE1-CE2 3.93Å; Y245-Y292 HydrophobicContact CE1-CE2 3.93Å; E246-Y292 WeakPolarHBondContact CB-OH 3.48Å; E246-Y292 VanDerWaalsContact CG-OH 3.24Å; E246-Y292 WeakPolarHBondContact CG-OH 3.42Å; E246-Y292 PolarHBondContact OE1-OH 2.58Å; I249-Y292 HydrophobicContact CD1-CE2 4.12Å; L285-Y292 VanDerWaalsContact C-CE1 3.46Å; L285-Y292 HydrophobicContact CB-CD1 4.41Å; L285-Y292 HydrophobicContact CB-CE1 3.64Å; L285-Y292 HydrophobicContact CD2-CD2 4.39Å; L285-Y292 HydrophobicContact CD2-CE1 4.38Å; L285-Y292 HydrophobicContact CD2-CE2 4.03Å; D289-Y292 PolarHBondContact O-N 2.97Å; D289-Y292 PolarHBondContact OD1-N 3.26Å; Y292-E294 PolarHBondContact O-N 3.01Å; Y292-L295 PolarHBondContact O-N 3.35Å; Y292-L295 VanDerWaalsContact O-N 3.07Å; Y292-R296 HydrophobicContact CD1-CB 4.42Å; Y292-R296 HydrophobicContact CD2-CB 4.31Å; Y292-R296 HydrophobicContact CE1-CB 4.03Å; Y292-R296 HydrophobicContact CE2-CB 3.93Å; Y292-R296 VanDerWaalsContact O-CB 3.32Å; Y292-R296 WeakPolarHBondContact O-CB 3.49Å; Y292-R296 WeakPolarHBondContact O-CG 3.23Å; Y292-R296 PolarHBondContact O-N 3.26Å; Y292-H366 AromaticContact CD2-CE1 3.22Å; Y292-H366 WeakPolarHBondContact CD2-CE1 3.46Å; Y292-H366 AromaticContact CD2-ND1 3.96Å; Y292-H366 AromaticContact CD2-NE2 3.79Å; Y292-H366 AromaticContact CE2-CE1 4Å; Y292-H366 AromaticContact CG-CE1 3.88Å
293S95.6Very high95.7Very high36 Ų3636.7 Ų36.725%0.25221%0.209SC..Hα-helixtrans-62-27.5177.581.20000113.8D289 I290 L291D289-S293 PolarHBondContact O-N 3.43Å; I290-S293 PolarHBondContact O-N 2.82Å; I290-S293 PolarHBondContact O-OG 3.36Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 3.3Å
294E95.1Very high95.8Very high93 Ų9336.9 Ų36.944%0.43522%0.219SC..Hα-helixtrans-80.8-27.8174.8-67.5170.1-171.700112.4I290 L291 Y292 L298 R310I290-E294 PolarHBondContact O-N 2.94Å; L291-E294 WeakPolarHBondContact O-CB 3.49Å; L291-E294 PolarHBondContact O-N 3.39Å; L291-E294 VanDerWaalsContact O-N 3.08Å; Y292-E294 PolarHBondContact O-N 3.01Å; E294-L298 WeakPolarHBondContact O-CG 3.33Å; E294-R310 IonicContact OE1-NE 3.53Å; E294-R310 IonicContact OE1-NH2 3.77Å; E294-R310 IonicContact OE2-NE 3.99Å; E294-R310 PolarHBondContact OE2-NE 3.16Å; E294-R310 VanDerWaalsContact OE2-NE 3.16Å
295L97.9Very high95.9Very high2 Ų237.3 Ų37.31%0.0122%0.217CC..Hα-helixtrans-96.1-37-172.8-64.1175.8000113.9Y245 L291 Y292 D297 L298 V303 A306 L307 H366Y245-L295 WeakPolarHBondContact CB-O 3.38Å; Y245-L295 HydrophobicContact CD1-CB 3.8Å; Y245-L295 HydrophobicContact CE1-CB 4.07Å; Y245-L295 HydrophobicContact CE1-CD1 4.45Å; L291-L295 HydrophobicContact CD1-CD1 3.82Å; L291-L295 HydrophobicContact CD1-CD2 4.44Å; L291-L295 HydrophobicContact CD1-CG 3.97Å; L291-L295 HydrophobicContact CD2-CD1 4.42Å; L291-L295 HydrophobicContact CG-CD1 3.78Å; L291-L295 HydrophobicContact CG-CG 4.33Å; L291-L295 WeakPolarHBondContact O-CG 3.35Å; L291-L295 PolarHBondContact O-N 3.11Å; L291-L295 VanDerWaalsContact O-N 3.13Å; Y292-L295 PolarHBondContact O-N 3.35Å; Y292-L295 VanDerWaalsContact O-N 3.07Å; L295-D297 VanDerWaalsContact C-N 3.26Å; L295-D297 PolarHBondContact O-N 2.61Å; L295-L298 HydrophobicContact CD2-CD1 4.17Å; L295-L298 WeakPolarHBondContact O-CB 3.5Å; L295-L298 PolarHBondContact O-N 2.7Å; L295-L298 VanDerWaalsContact O-N 3.09Å; L295-V303 HydrophobicContact CD2-CG1 4.39Å; L295-A306 HydrophobicContact CD2-CB 3.69Å; L295-L307 HydrophobicContact CD1-CD2 3.56Å; L295-L307 HydrophobicContact CD1-CG 4.06Å; L295-L307 HydrophobicContact CD2-CD2 4.49Å; L295-L307 HydrophobicContact CD2-CG 4.28Å; L295-H366 HydrophobicContact CD1-CB 4.03Å
296R97.8Very high95.9Very high7 Ų738.7 Ų38.73%0.02623%0.228CC..THydrogen-bonded Turntrans-54.8-38.1-167.665.1179.6-175-177.41.1114.4D150 E246 Y292 R597D150-R296 VanDerWaalsContact CG-NH1 3.31Å; D150-R296 IonicContact OD1-NH1 2.83Å; D150-R296 IonicContact OD1-NH2 3.14Å; D150-R296 IonicContact OD2-CZ 3.89Å; D150-R296 IonicContact OD2-NH1 3.56Å; D150-R296 PolarHBondContact OD2-NH1 3.45Å; D150-R296 IonicContact OD2-NH2 3.24Å; E246-R296 HydrophobicContact CB-CB 3.8Å; E246-R296 WeakPolarHBondContact CB-O 3.04Å; E246-R296 PolarHBondContact N-O 3.4Å; Y292-R296 HydrophobicContact CD1-CB 4.42Å; Y292-R296 HydrophobicContact CD2-CB 4.31Å; Y292-R296 HydrophobicContact CE1-CB 4.03Å; Y292-R296 HydrophobicContact CE2-CB 3.93Å; Y292-R296 VanDerWaalsContact O-CB 3.32Å; Y292-R296 WeakPolarHBondContact O-CB 3.49Å; Y292-R296 WeakPolarHBondContact O-CG 3.23Å; Y292-R296 PolarHBondContact O-N 3.26Å; R296-R597 VanDerWaalsContact NE-NH1 3.17Å
297D98.1Very high95.9Very high28 Ų2837.7 Ų37.715%0.1522%0.223CC..THydrogen-bonded Turntrans-90.7-8.1-173.6-56.4-52.1000112.2L295 Y527 S594 R597L295-D297 VanDerWaalsContact C-N 3.26Å; L295-D297 PolarHBondContact O-N 2.61Å; D297-Y527 WeakPolarHBondContact O-CE2 3.44Å; D297-Y527 PolarHBondContact O-OH 2.92Å; D297-S594 WeakPolarHBondContact OD1-CA 3.48Å; D297-S594 PolarHBondContact OD1-OG 3.28Å; D297-R597 WeakPolarHBondContact OD1-CD 3.34Å; D297-R597 IonicContact OD1-CZ 3.83Å; D297-R597 IonicContact OD1-NE 2.75Å; D297-R597 IonicContact OD1-NH1 3.87Å; D297-R597 PolarHBondContact OD1-NH1 2.81Å; D297-R597 WeakPolarHBondContact OD2-CD 3.46Å; D297-R597 IonicContact OD2-NH1 2.78Å
298L98.3Very high95.8Very high48 Ų4839.3 Ų39.325%0.25123%0.234SC..SBendtrans-73147.9178.2-60.6179.8000111S244 Y245 E294 L295 A302 V303 A306S244-L298 CarbonylContact C-O 3.58Å; S244-L298 WeakPolarHBondContact CA-O 3.38Å; Y245-L298 PolarHBondContact N-O 2.75Å; E294-L298 WeakPolarHBondContact O-CG 3.33Å; L295-L298 HydrophobicContact CD2-CD1 4.17Å; L295-L298 WeakPolarHBondContact O-CB 3.5Å; L295-L298 PolarHBondContact O-N 2.7Å; L295-L298 VanDerWaalsContact O-N 3.09Å; L298-A302 HydrophobicContact CB-CB 4.3Å; L298-A302 HydrophobicContact CD1-CB 4.46Å; L298-V303 HydrophobicContact CB-CG2 4.32Å; L298-A306 HydrophobicContact CD1-CB 3.8Å
299N98.2Very high95.8Very high6 Ų640.6 Ų40.63%0.03223%0.234CC..BIsolated β-bridgetrans-59142.8159.8-174.1-68.4000108.8S301 A302 E519 Y527 S530N299-S301 PolarHBondContact O-N 2.97Å; N299-S301 VanDerWaalsContact O-N 3.12Å; N299-S301 PolarHBondContact OD1-N 3.04Å; N299-S301 PolarHBondContact OD1-OG 2.67Å; N299-A302 WeakPolarHBondContact O-CB 3.43Å; N299-A302 PolarHBondContact O-N 3.15Å; N299-E519 HydrophobicContact CB-CB 4.07Å; N299-Y527 HydrophobicContact CB-CD2 4.1Å; N299-Y527 PolarHBondContact ND2-O 2.93Å; N299-S530 PolarHBondContact ND2-OG 3.49Å
300F97.6Very high95.6Very high30 Ų3040.9 Ų40.913%0.13223%0.231CC..Hα-helixtrans-55.8-30.8-177.2-173.2-117.6000114L243 Y245 L248 A302 V303 A370 I373 K374 T377L243-F300 PolarHBondContact O-N 2.88Å; Y245-F300 HydrophobicContact CD2-CD2 4.08Å; Y245-F300 HydrophobicContact CD2-CE2 4.32Å; L248-F300 HydrophobicContact CD1-CB 3.46Å; L248-F300 VanDerWaalsContact CD1-CB 3.46Å; L248-F300 HydrophobicContact CD1-CD1 3.96Å; L248-F300 HydrophobicContact CD1-CD2 4.03Å; L248-F300 HydrophobicContact CD1-CG 3.54Å; F300-A302 PolarHBondContact O-N 3.42Å; F300-V303 HydrophobicContact CD2-CB 4.4Å; F300-V303 HydrophobicContact CD2-CG2 4.21Å; F300-V303 WeakPolarHBondContact O-CB 3.48Å; F300-V303 PolarHBondContact O-N 3.32Å; F300-A370 HydrophobicContact CE2-CB 4.39Å; F300-A370 WeakPolarHBondContact CZ-O 3.39Å; F300-I373 HydrophobicContact CD1-CG2 4.26Å; F300-I373 HydrophobicContact CD2-CG2 3.96Å; F300-I373 HydrophobicContact CE1-CG2 3.85Å; F300-I373 HydrophobicContact CE2-CB 3.8Å; F300-I373 HydrophobicContact CE2-CD1 4.29Å; F300-I373 HydrophobicContact CE2-CG2 3.52Å; F300-I373 HydrophobicContact CG-CG2 4.32Å; F300-I373 HydrophobicContact CZ-CB 3.76Å; F300-I373 HydrophobicContact CZ-CG2 3.46Å; F300-I373 VanDerWaalsContact CZ-CG2 3.46Å; F300-K374 HydrophobicContact CE1-CB 4.41Å; F300-K374 HydrophobicContact CE1-CD 4.12Å; F300-K374 HydrophobicContact CZ-CB 4.18Å; F300-T377 HydrophobicContact CD1-CG2 4.15Å; F300-T377 HydrophobicContact CE1-CG2 4.09Å
301S95.5Very high95.5Very high52 Ų5238.7 Ų38.736%0.36422%0.22SC..Hα-helixtrans-62.2-28.3175.8650000113.5N299 P305 E519N299-S301 PolarHBondContact O-N 2.97Å; N299-S301 VanDerWaalsContact O-N 3.12Å; N299-S301 PolarHBondContact OD1-N 3.04Å; N299-S301 PolarHBondContact OD1-OG 2.67Å; S301-P305 WeakPolarHBondContact O-CD 3.43Å; S301-E519 WeakPolarHBondContact CB-OE2 3.49Å; S301-E519 WeakPolarHBondContact OG-CB 3.33Å; S301-E519 PolarHBondContact OG-OE2 2.75Å
302A97.2Very high95.3Very high7 Ų746.1 Ų46.16%0.05825%0.252CS..Hα-helixtrans-85.6-14.2178.400000114L298 N299 F300 P305 A306L298-A302 HydrophobicContact CB-CB 4.3Å; L298-A302 HydrophobicContact CD1-CB 4.46Å; N299-A302 WeakPolarHBondContact O-CB 3.43Å; N299-A302 PolarHBondContact O-N 3.15Å; F300-A302 PolarHBondContact O-N 3.42Å; A302-P305 WeakPolarHBondContact O-CD 3.21Å; A302-A306 WeakPolarHBondContact O-CB 3.2Å; A302-A306 PolarHBondContact O-N 2.85Å; A302-A306 VanDerWaalsContact O-N 3.11Å
303V97.6Very high94.9Very high1 Ų148 Ų481%0.00627%0.268CS..Hα-helixtrans-66-44.2-176174.60000112.1Y245 L295 L298 F300 A306 L307 A370Y245-V303 HydrophobicContact CD2-CG1 4.18Å; Y245-V303 HydrophobicContact CD2-CG2 4Å; Y245-V303 HydrophobicContact CE2-CG1 4.24Å; Y245-V303 HydrophobicContact CG-CG2 3.94Å; L295-V303 HydrophobicContact CD2-CG1 4.39Å; L298-V303 HydrophobicContact CB-CG2 4.32Å; F300-V303 HydrophobicContact CD2-CB 4.4Å; F300-V303 HydrophobicContact CD2-CG2 4.21Å; F300-V303 WeakPolarHBondContact O-CB 3.48Å; F300-V303 PolarHBondContact O-N 3.32Å; V303-A306 PolarHBondContact O-N 3.19Å; V303-L307 HydrophobicContact CG1-CD1 3.78Å; V303-L307 HydrophobicContact CG1-CG 4.19Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.4Å; V303-A370 HydrophobicContact CG1-CB 4.28Å
304G95.2Very high94.5Very high39 Ų3946.6 Ų46.640%0.40226%0.257SS..Hα-helixtrans-59.4-51.2179.600000113.3A306 S308G304-A306 PolarHBondContact O-N 2.71Å; G304-S308 WeakPolarHBondContact O-CB 3.43Å; G304-S308 PolarHBondContact O-N 2.86Å; G304-S308 PolarHBondContact O-OG 3.14Å
305P94.7Very high93.9Very high74 Ų7444.7 Ų44.748%0.48126%0.255SS..Hα-helixtrans-56.4-44171.1-2835.4000113.7S301 A302 S308 K309S301-P305 WeakPolarHBondContact O-CD 3.43Å; A302-P305 WeakPolarHBondContact O-CD 3.21Å; P305-S308 PolarHBondContact O-N 2.78Å; P305-K309 WeakPolarHBondContact O-CB 3.5Å; P305-K309 PolarHBondContact O-N 2.92Å
306A95.3Very high93.3Very high33 Ų3347.7 Ų47.727%0.27328%0.279SS..Hα-helixtrans-63.3-47.8179.500000112.3L295 L298 A302 V303 G304 S308 K309 R310L295-A306 HydrophobicContact CD2-CB 3.69Å; L298-A306 HydrophobicContact CD1-CB 3.8Å; A302-A306 WeakPolarHBondContact O-CB 3.2Å; A302-A306 PolarHBondContact O-N 2.85Å; A302-A306 VanDerWaalsContact O-N 3.11Å; V303-A306 PolarHBondContact O-N 3.19Å; G304-A306 PolarHBondContact O-N 2.71Å; A306-S308 PolarHBondContact O-N 2.69Å; A306-K309 PolarHBondContact O-N 3.06Å; A306-R310 PolarHBondContact O-N 3.1Å
307L94.6Very high92.5Very high10 Ų1051.6 Ų51.65%0.05230%0.298CS..Hα-helixtrans-59-46.6175-79.1173.2000111.6L291 L295 V303 K309 R310 I311 H366 A370L291-L307 HydrophobicContact CD2-CD2 4.25Å; L295-L307 HydrophobicContact CD1-CD2 3.56Å; L295-L307 HydrophobicContact CD1-CG 4.06Å; L295-L307 HydrophobicContact CD2-CD2 4.49Å; L295-L307 HydrophobicContact CD2-CG 4.28Å; V303-L307 HydrophobicContact CG1-CD1 3.78Å; V303-L307 HydrophobicContact CG1-CG 4.19Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 WeakPolarHBondContact O-CG 3.09Å; V303-L307 PolarHBondContact O-N 3.4Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.29Å; L307-R310 PolarHBondContact O-N 2.85Å; L307-I311 WeakPolarHBondContact O-CB 3.47Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 3.44Å; L307-H366 HydrophobicContact CD2-CB 4.07Å; L307-A370 HydrophobicContact CD1-CB 3.95Å
308S93.2Very high91.4Very high62 Ų6251.6 Ų51.643%0.43430%0.298SS..Hα-helixtrans-59.8-41.8178.7-64.10000112.1G304 P305 A306 K312G304-S308 WeakPolarHBondContact O-CB 3.43Å; G304-S308 PolarHBondContact O-N 2.86Å; G304-S308 PolarHBondContact O-OG 3.14Å; P305-S308 PolarHBondContact O-N 2.78Å; A306-S308 PolarHBondContact O-N 2.69Å; S308-K312 WeakPolarHBondContact O-CB 3.44Å; S308-K312 VanDerWaalsContact O-CG 3.29Å; S308-K312 WeakPolarHBondContact O-CG 3.15Å; S308-K312 PolarHBondContact O-N 3.28Å; S308-K312 VanDerWaalsContact O-N 3.11Å
309K92.5Very high90Very high165 Ų16552.7 Ų52.772%0.71730%0.304SS*.Hα-helixtrans-62.8-45.7175.4-175.4-179.1177.9-176.80111.1P305 A306 L307 K312 A313P305-K309 WeakPolarHBondContact O-CB 3.5Å; P305-K309 PolarHBondContact O-N 2.92Å; A306-K309 PolarHBondContact O-N 3.06Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 3.29Å; K309-K312 PolarHBondContact O-N 3.42Å; K309-A313 PolarHBondContact O-N 3.3Å; K309-A313 VanDerWaalsContact O-N 3.1Å
310R89.3Confident88.2Confident53 Ų5355.2 Ų55.220%0.232%0.319CS..Hα-helixtrans-66.5-43.7179.7-153.778163.783.37.4112.6L291 E294 A306 L307 K312 A313 L314 E359L291-R310 HydrophobicContact CD1-CB 4.23Å; L291-R310 HydrophobicContact CD1-CG 3.89Å; E294-R310 IonicContact OE1-NE 3.53Å; E294-R310 IonicContact OE1-NH2 3.77Å; E294-R310 IonicContact OE2-NE 3.99Å; E294-R310 PolarHBondContact OE2-NE 3.16Å; E294-R310 VanDerWaalsContact OE2-NE 3.16Å; A306-R310 PolarHBondContact O-N 3.1Å; L307-R310 PolarHBondContact O-N 2.85Å; R310-K312 VanDerWaalsContact C-N 3.34Å; R310-K312 PolarHBondContact O-N 3.27Å; R310-A313 PolarHBondContact O-N 2.96Å; R310-L314 HydrophobicContact CG-CD1 4.47Å; R310-L314 WeakPolarHBondContact O-CB 3.43Å; R310-L314 WeakPolarHBondContact O-CG 3.28Å; R310-L314 PolarHBondContact O-N 3.25Å; R310-E359 IonicContact CZ-OE1 2.65Å; R310-E359 IonicContact CZ-OE2 2.86Å; R310-E359 IonicContact NE-OE1 3.63Å; R310-E359 IonicContact NH1-OE1 2.61Å; R310-E359 PolarHBondContact NH1-OE1 2.98Å; R310-E359 IonicContact NH1-OE2 3.68Å; R310-E359 IonicContact NH2-OE1 3.61Å; R310-E359 PolarHBondContact NH2-OE1 2.97Å; R310-E359 VanDerWaalsContact NH2-OE1 3.1Å; R310-E359 IonicContact NH2-OE2 3.1Å
311I90Very high86.2Confident63 Ų6360.7 Ų60.732%0.32334%0.339SS..Hα-helixtrans-62.1-41.5178.2-68.9166.2000111L307 L314 S315 A363L307-I311 WeakPolarHBondContact O-CB 3.47Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.49Å; L307-I311 PolarHBondContact O-N 3.44Å; I311-L314 PolarHBondContact O-N 3.36Å; I311-S315 WeakPolarHBondContact O-CB 3.29Å; I311-S315 PolarHBondContact O-N 2.94Å; I311-S315 PolarHBondContact O-OG 3.29Å; I311-A363 HydrophobicContact CG1-CB 4.19Å
312K90.7Very high84Confident158 Ų15867.7 Ų67.769%0.68736%0.358SS*.Hα-helixtrans-62.4-45174.7-74.7175.6-176.5178.80111.8S308 K309 R310 S315 A316S308-K312 WeakPolarHBondContact O-CB 3.44Å; S308-K312 VanDerWaalsContact O-CG 3.29Å; S308-K312 WeakPolarHBondContact O-CG 3.15Å; S308-K312 PolarHBondContact O-N 3.28Å; S308-K312 VanDerWaalsContact O-N 3.11Å; K309-K312 PolarHBondContact O-N 3.42Å; R310-K312 VanDerWaalsContact C-N 3.34Å; R310-K312 PolarHBondContact O-N 3.27Å; K312-S315 PolarHBondContact O-N 3.05Å; K312-A316 PolarHBondContact O-N 3.38Å
313A88.3Confident81.7Confident41 Ų4172.6 Ų72.634%0.33939%0.387SS..Hα-helixtrans-62.2-44.4176.500000112.2K309 R310 A316 Q317K309-A313 PolarHBondContact O-N 3.3Å; K309-A313 VanDerWaalsContact O-N 3.1Å; R310-A313 PolarHBondContact O-N 2.96Å; A313-A316 PolarHBondContact O-N 3.49Å; A313-Q317 WeakPolarHBondContact O-CG 3.4Å; A313-Q317 PolarHBondContact O-N 3.2Å; A313-Q317 VanDerWaalsContact O-N 3.11Å
314L86.7Confident79.4Confident6 Ų675.3 Ų75.33%0.03140%0.399CS..Hα-helixtrans-61-43.5175.2-83.2171.9000112.5R310 I311 Q317 L318 L356 E359 A363R310-L314 HydrophobicContact CG-CD1 4.47Å; R310-L314 WeakPolarHBondContact O-CB 3.43Å; R310-L314 WeakPolarHBondContact O-CG 3.28Å; R310-L314 PolarHBondContact O-N 3.25Å; I311-L314 PolarHBondContact O-N 3.36Å; L314-Q317 PolarHBondContact O-N 3.39Å; L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 WeakPolarHBondContact O-CG 3.22Å; L314-L318 PolarHBondContact O-N 2.83Å; L314-L356 HydrophobicContact CD2-CD2 4.34Å; L314-E359 HydrophobicContact CD1-CG 4Å; L314-E359 WeakPolarHBondContact CD1-OE1 3.43Å; L314-E359 HydrophobicContact CD2-CB 4.06Å; L314-E359 HydrophobicContact CD2-CG 3.9Å; L314-E359 WeakPolarHBondContact CD2-OE1 3.31Å; L314-E359 HydrophobicContact CG-CG 4.39Å; L314-E359 WeakPolarHBondContact CG-OE1 3.45Å; L314-A363 HydrophobicContact CD1-CB 4.05Å
315S83.9Confident76.9Confident54 Ų5476 Ų7638%0.37841%0.405SS..Hα-helixtrans-64-42.5179.6-58.80000110.8I311 K312 Q317 L318 D319I311-S315 WeakPolarHBondContact O-CB 3.29Å; I311-S315 PolarHBondContact O-N 2.94Å; I311-S315 PolarHBondContact O-OG 3.29Å; K312-S315 PolarHBondContact O-N 3.05Å; S315-Q317 VanDerWaalsContact C-N 3.34Å; S315-Q317 PolarHBondContact O-N 2.89Å; S315-L318 CarbonylContact O-C 3.58Å; S315-L318 PolarHBondContact O-N 2.95Å; S315-D319 WeakPolarHBondContact O-CB 3.43Å; S315-D319 PolarHBondContact O-N 3.01Å
316A84.8Confident74.7Confident64 Ų6477.3 Ų77.353%0.52941%0.412SS..Hα-helixtrans-61.6-39.8174.800000112.7K312 A313K312-A316 PolarHBondContact O-N 3.38Å; A313-A316 PolarHBondContact O-N 3.49Å
317Q80.9Confident72.3Confident89 Ų8981.6 Ų81.642%0.41644%0.44SS..Hα-helixtrans-70.1-33.3176.5-69.3177.87.900112.7A313 L314 S315A313-Q317 WeakPolarHBondContact O-CG 3.4Å; A313-Q317 PolarHBondContact O-N 3.2Å; A313-Q317 VanDerWaalsContact O-N 3.11Å; L314-Q317 PolarHBondContact O-N 3.39Å; S315-Q317 VanDerWaalsContact C-N 3.34Å; S315-Q317 PolarHBondContact O-N 2.89Å
318L74.9Confident69.9Low29 Ų2988.7 Ų88.715%0.15248%0.478CS..Hα-helixtrans-83.2-27177.8-71.7172.8000113.2L314 S315 V320 R321 L356L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 WeakPolarHBondContact O-CG 3.22Å; L314-L318 PolarHBondContact O-N 2.83Å; S315-L318 CarbonylContact O-C 3.58Å; S315-L318 PolarHBondContact O-N 2.95Å; L318-V320 PolarHBondContact O-N 3.41Å; L318-R321 WeakPolarHBondContact O-CA 3.04Å; L318-R321 WeakPolarHBondContact O-CB 3.11Å; L318-R321 PolarHBondContact O-N 3.1Å; L318-L356 HydrophobicContact CD2-CB 4.24Å; L318-L356 HydrophobicContact CD2-CD1 4.41Å
319D69.7Low67.7Low70 Ų7093.5 Ų93.537%0.37449%0.487SS..Hα-helixtrans-65.1-23.3178.3-92.4-32000112.4S315 R321 R322S315-D319 WeakPolarHBondContact O-CB 3.43Å; S315-D319 PolarHBondContact O-N 3.01Å; D319-R321 PolarHBondContact O-N 3.26Å; D319-R321 VanDerWaalsContact O-N 3.08Å; D319-R322 WeakPolarHBondContact O-CA 3.31Å; D319-R322 WeakPolarHBondContact O-CB 3.45Å; D319-R322 PolarHBondContact O-N 3.3Å; D319-R322 IonicContact OD1-CZ 3.67Å; D319-R322 IonicContact OD1-NE 3.87Å; D319-R322 IonicContact OD1-NH1 2.88Å; D319-R322 PolarHBondContact OD1-NH1 3.3Å
320V58.8Low65.6Low59 Ų5987.5 Ų87.536%0.35847%0.466SS..Hα-helixtrans-49.8-33.9166.1178.70000110.9L318 R322 T323 F324L318-V320 PolarHBondContact O-N 3.41Å; V320-R322 VanDerWaalsContact C-N 3.31Å; V320-R322 PolarHBondContact O-N 2.87Å; V320-T323 WeakPolarHBondContact O-CB 3.36Å; V320-T323 PolarHBondContact O-N 2.95Å; V320-T323 VanDerWaalsContact O-N 3.1Å; V320-F324 HydrophobicContact CG1-CD2 3.68Å; V320-F324 HydrophobicContact CG1-CE2 3.37Å; V320-F324 WeakPolarHBondContact O-CD2 3.46Å; V320-F324 PolarHBondContact O-N 2.65Å
321R55.5Low63.5Low145 Ų14593.3 Ų93.355%0.54749%0.493SS..Hα-helixtrans-60.3-32.9173.2-170.7-177.1172.1179.5-1.4113.7L318 D319 T323 F324 G325 F349L318-R321 WeakPolarHBondContact O-CA 3.04Å; L318-R321 WeakPolarHBondContact O-CB 3.11Å; L318-R321 PolarHBondContact O-N 3.1Å; D319-R321 PolarHBondContact O-N 3.26Å; D319-R321 VanDerWaalsContact O-N 3.08Å; R321-T323 VanDerWaalsContact C-N 3.3Å; R321-F324 PolarHBondContact O-N 3.26Å; R321-G325 WeakPolarHBondContact O-CA 3.5Å; R321-G325 PolarHBondContact O-N 3.12Å; R321-F349 HydrophobicContact CB-CZ 4.43Å
322R50.1Low61.3Low200 Ų20097.7 Ų97.776%0.75551%0.506SS*.Hα-helixtrans-68.6-33.6175.8-75.6-178.5169.3150.4-12.7111.1D319 V320 F324D319-R322 WeakPolarHBondContact O-CA 3.31Å; D319-R322 WeakPolarHBondContact O-CB 3.45Å; D319-R322 PolarHBondContact O-N 3.3Å; D319-R322 IonicContact OD1-CZ 3.67Å; D319-R322 IonicContact OD1-NE 3.87Å; D319-R322 IonicContact OD1-NH1 2.88Å; D319-R322 PolarHBondContact OD1-NH1 3.3Å; V320-R322 VanDerWaalsContact C-N 3.31Å; V320-R322 PolarHBondContact O-N 2.87Å; R322-F324 VanDerWaalsContact C-N 3.3Å; R322-F324 PolarHBondContact O-N 2.86Å
323T48.8Very low59Low110 Ų11096 Ų9668%0.67550%0.496SS*.Hα-helixtrans-67.2-32174.2-43.60000112V320 R321V320-T323 WeakPolarHBondContact O-CB 3.36Å; V320-T323 PolarHBondContact O-N 2.95Å; V320-T323 VanDerWaalsContact O-N 3.1Å; R321-T323 VanDerWaalsContact C-N 3.3Å
324F48.6Very low57Low58 Ų5897 Ų9725%0.25450%0.498SS..Hα-helixtrans-94.2-5.1-179.9-69.8-71.6000115V320 R321 R322 T341 Y346V320-F324 HydrophobicContact CG1-CD2 3.68Å; V320-F324 HydrophobicContact CG1-CE2 3.37Å; V320-F324 WeakPolarHBondContact O-CD2 3.46Å; V320-F324 PolarHBondContact O-N 2.65Å; R321-F324 PolarHBondContact O-N 3.26Å; R322-F324 VanDerWaalsContact C-N 3.3Å; R322-F324 PolarHBondContact O-N 2.86Å; F324-T341 HydrophobicContact CZ-CG2 4.48Å; F324-Y346 HydrophobicContact CD1-CD2 4.19Å; F324-Y346 HydrophobicContact CE1-CD2 4.47Å; F324-Y346 HydrophobicContact CG-CD2 4.49Å
325G43.2Very low55Low52 Ų52104.4 Ų104.454%0.53653%0.533SS..  trans-943.9-15400000119.8R321R321-G325 WeakPolarHBondContact O-CA 3.5Å; R321-G325 PolarHBondContact O-N 3.12Å
326T48.2Very low53Low102 Ų102108.4 Ų108.463%0.62655%0.545SS*.SBendtrans-112.399.5174.145.70000111.4L328 Y329T326-L328 PolarHBondContact O-N 3.47Å; T326-Y329 PolarHBondContact O-N 3.24Å
327S46.8Very low50.8Low123 Ų123113.2 Ų113.286%0.8655%0.55SS*.THydrogen-bonded Turntrans-58.816-163.2-169.40000119.3
328L44Very low48.8Very low160 Ų160118 Ų11884%0.83857%0.572SS**THydrogen-bonded Turntrans-140-22.4172.2-132.184.2000113.8T326T326-L328 PolarHBondContact O-N 3.47Å
329Y45.7Very low47.2Very low163 Ų163124.7 Ų124.764%0.63961%0.608SS**THydrogen-bonded Turntrans-89.5-26.7-174.7-124.6-104.5000113.2T326 F331 Y332 Y333T326-Y329 PolarHBondContact O-N 3.24Å; Y329-F331 VanDerWaalsContact C-N 3.34Å; Y329-F331 PolarHBondContact O-N 3.39Å; Y329-Y332 PolarHBondContact O-N 3.17Å; Y329-Y333 AromaticContact CD1-CD2 3.69Å; Y329-Y333 HydrophobicContact CD1-CD2 3.69Å; Y329-Y333 AromaticContact CD1-CE2 3.85Å; Y329-Y333 HydrophobicContact CD1-CE2 3.85Å; Y329-Y333 AromaticContact CE1-CD2 3.99Å; Y329-Y333 HydrophobicContact CE1-CD2 3.99Å; Y329-Y333 AromaticContact CE1-CE2 3.72Å; Y329-Y333 HydrophobicContact CE1-CE2 3.72Å; Y329-Y333 PolarHBondContact O-N 3.44Å; Y329-Y333 VanDerWaalsContact O-N 3.07Å
330C47.8Very low45.8Very low39 Ų39123.6 Ų123.626%0.26461%0.609SS.*Hα-helixtrans-67.3-33.3-176.9-157.10000112.6Y332 Y333 V334C330-Y332 VanDerWaalsContact C-N 3.32Å; C330-Y332 PolarHBondContact O-N 2.99Å; C330-Y333 PolarHBondContact O-N 2.94Å; C330-V334 WeakPolarHBondContact O-CB 3.4Å; C330-V334 WeakPolarHBondContact O-CG2 3.46Å; C330-V334 PolarHBondContact O-N 3.42Å; C330-V334 VanDerWaalsContact O-N 3.12Å
331F47Very low45.5Very low174 Ų174124 Ų12476%0.76361%0.611SS**Hα-helixtrans-66.7-35.2177.7-154.9-90000112Y329Y329-F331 VanDerWaalsContact C-N 3.34Å; Y329-F331 PolarHBondContact O-N 3.39Å
332Y43.2Very low45.6Very low155 Ų155120.7 Ų120.761%0.60861%0.61SS**Hα-helixtrans-78.2-36.5178.5-156.3-92.3000112.3Y329 C330Y329-Y332 PolarHBondContact O-N 3.17Å; C330-Y332 VanDerWaalsContact C-N 3.32Å; C330-Y332 PolarHBondContact O-N 2.99Å
333Y41.3Very low46Very low122 Ų122118.5 Ų118.548%0.47861%0.612SS.*Hα-helixtrans-74.3-31.6-179.6-111.1-94.8000114.1Y329 C330 Q335 Q336Y329-Y333 AromaticContact CD1-CD2 3.69Å; Y329-Y333 HydrophobicContact CD1-CD2 3.69Å; Y329-Y333 AromaticContact CD1-CE2 3.85Å; Y329-Y333 HydrophobicContact CD1-CE2 3.85Å; Y329-Y333 AromaticContact CE1-CD2 3.99Å; Y329-Y333 HydrophobicContact CE1-CD2 3.99Å; Y329-Y333 AromaticContact CE1-CE2 3.72Å; Y329-Y333 HydrophobicContact CE1-CE2 3.72Å; Y329-Y333 PolarHBondContact O-N 3.44Å; Y329-Y333 VanDerWaalsContact O-N 3.07Å; C330-Y333 PolarHBondContact O-N 2.94Å; Y333-Q335 VanDerWaalsContact C-N 3.31Å; Y333-Q335 PolarHBondContact O-N 2.97Å; Y333-Q336 PolarHBondContact O-N 2.72Å
334V47.6Very low47.1Very low63 Ų63114.7 Ų114.738%0.38259%0.594SS.*Hα-helixtrans-68.4-27.9178169.40000112.2C330C330-V334 WeakPolarHBondContact O-CB 3.4Å; C330-V334 WeakPolarHBondContact O-CG2 3.46Å; C330-V334 PolarHBondContact O-N 3.42Å; C330-V334 VanDerWaalsContact O-N 3.12Å
335Q43.2Very low47.8Very low161 Ų161117 Ų11775%0.75261%0.606SS**Hα-helixtrans-76.6-24.2176.9-90.3-166.8-18.200114.4Y333Y333-Q335 VanDerWaalsContact C-N 3.31Å; Y333-Q335 PolarHBondContact O-N 2.97Å
336Q43.4Very low48.8Very low139 Ų139120.5 Ų120.565%0.6560%0.604SS**Hα-helixtrans-100.4-11.2-173.3-70.9-156.41200115Y333Y333-Q336 PolarHBondContact O-N 2.72Å
337R38.3Very low49.8Very low165 Ų165123.8 Ų123.862%0.62361%0.605SS**  trans-109.5109.4176.2-77.6-170.1168.2156.4-0.8110.6N339R337-N339 PolarHBondContact O-N 2.87Å
338H39.1Very low51.2Low190 Ų190121 Ų12188%0.8858%0.58SS**THydrogen-bonded Turntrans-61.217.9175.6-94.2-76.1000116
339N41Very low52.6Low169 Ų169115 Ų11590%0.90455%0.547SS*.THydrogen-bonded Turntrans-142.526.2-175.3-90.8-12000115R337R337-N339 PolarHBondContact O-N 2.87Å
340A41Very low54Low47 Ų47110.6 Ų110.639%0.38854%0.537SS..  trans-134.6110.9-173.600000115.7
341T52Low55.7Low68 Ų68114.9 Ų114.942%0.41755%0.551SS.*  trans49.7112.214758.90000119.7F324 E345F324-T341 HydrophobicContact CZ-CG2 4.48Å; T341-E345 VanDerWaalsContact CA-OE2 3.22Å; T341-E345 WeakPolarHBondContact CA-OE2 3.43Å; T341-E345 VanDerWaalsContact CB-OE2 3.23Å; T341-E345 WeakPolarHBondContact CB-OE2 3.46Å; T341-E345 VanDerWaalsContact CG2-OE2 3.25Å; T341-E345 WeakPolarHBondContact CG2-OE2 3.34Å
342S56.8Low57.4Low74 Ų74114 Ų11452%0.51754%0.543SS..  trans-67.1146.8176.71620000113.2G344 E345 Y346S342-G344 PolarHBondContact O-N 3.19Å; S342-G344 PolarHBondContact OG-N 3.45Å; S342-E345 WeakPolarHBondContact O-CB 3.44Å; S342-E345 PolarHBondContact O-N 2.91Å; S342-Y346 PolarHBondContact O-N 3.19Å
343I58.8Low59.1Low154 Ų154108.7 Ų108.779%0.7953%0.525SS*.Hα-helixtrans-50.7-29.8168.7-66.9166.3000111.9Y346 R347I343-Y346 PolarHBondContact O-N 3.36Å; I343-R347 PolarHBondContact O-N 3.27Å; I343-R347 VanDerWaalsContact O-N 3.12Å
344G71.8Confident61.3Low30 Ų30106.6 Ų106.631%0.30953%0.527SS..Hα-helixtrans-61.9-42174.200000113.1S342 Y346 R347 D348S342-G344 PolarHBondContact O-N 3.19Å; S342-G344 PolarHBondContact OG-N 3.45Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 2.94Å; G344-R347 PolarHBondContact O-N 2.65Å; G344-D348 PolarHBondContact O-N 3.12Å
345E64.8Low63.2Low106 Ų106107 Ų10750%0.49553%0.532SS..Hα-helixtrans-65.5-37.6179.5-65.1170-167.700111.5T341 S342 D348 F349T341-E345 VanDerWaalsContact CA-OE2 3.22Å; T341-E345 WeakPolarHBondContact CA-OE2 3.43Å; T341-E345 VanDerWaalsContact CB-OE2 3.23Å; T341-E345 WeakPolarHBondContact CB-OE2 3.46Å; T341-E345 VanDerWaalsContact CG2-OE2 3.25Å; T341-E345 WeakPolarHBondContact CG2-OE2 3.34Å; S342-E345 WeakPolarHBondContact O-CB 3.44Å; S342-E345 PolarHBondContact O-N 2.91Å; E345-D348 PolarHBondContact O-N 3.21Å; E345-F349 WeakPolarHBondContact O-CB 3.47Å; E345-F349 PolarHBondContact O-N 3.04Å
346Y62.3Low65.2Low126 Ų126100 Ų10049%0.49450%0.499SS..Hα-helixtrans-64.4-46173.5-177.6-96.5000111.9F324 S342 I343 G344 D348 F349 V350F324-Y346 HydrophobicContact CD1-CD2 4.19Å; F324-Y346 HydrophobicContact CE1-CD2 4.47Å; F324-Y346 HydrophobicContact CG-CD2 4.49Å; S342-Y346 PolarHBondContact O-N 3.19Å; I343-Y346 PolarHBondContact O-N 3.36Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 2.94Å; Y346-D348 VanDerWaalsContact C-N 3.28Å; Y346-D348 PolarHBondContact O-N 3.01Å; Y346-F349 PolarHBondContact O-N 3.32Å; Y346-V350 HydrophobicContact CD1-CG2 4.16Å; Y346-V350 HydrophobicContact CE1-CG2 3.71Å; Y346-V350 HydrophobicContact CE2-CG2 4.46Å; Y346-V350 WeakPolarHBondContact O-CG2 3.42Å; Y346-V350 PolarHBondContact O-N 3.34Å
347R70Confident67.3Low171 Ų17197.8 Ų97.865%0.64549%0.489SS*.Hα-helixtrans-59.9-40.4176.9-172.6-179.6-178.4-1760.6111.4I343 G344 V350 K351I343-R347 PolarHBondContact O-N 3.27Å; I343-R347 VanDerWaalsContact O-N 3.12Å; G344-R347 PolarHBondContact O-N 2.65Å; R347-V350 PolarHBondContact O-N 3.38Å; R347-K351 WeakPolarHBondContact O-CG 3.34Å; R347-K351 PolarHBondContact O-N 3.02Å
348D76.4Confident69.6Low65 Ų6592 Ų9235%0.34848%0.476SS..Hα-helixtrans-72.1-30.9178.4-71-19.5000113.1G344 E345 Y346 K351 R352G344-D348 PolarHBondContact O-N 3.12Å; E345-D348 PolarHBondContact O-N 3.21Å; Y346-D348 VanDerWaalsContact C-N 3.28Å; Y346-D348 PolarHBondContact O-N 3.01Å; D348-K351 IonicContact OD1-NZ 3.84Å; D348-K351 PolarHBondContact OD1-NZ 3.11Å; D348-R352 WeakPolarHBondContact O-CG 3.28Å; D348-R352 PolarHBondContact O-N 3.39Å; D348-R352 PolarHBondContact O-NE 3.34Å
349F73Confident72Confident34 Ų3484.6 Ų84.615%0.14944%0.442CS..Hα-helixtrans-65.5-47.7170.1177.8-98.3000111.8R321 E345 Y346 K351 R352 L353 L356R321-F349 HydrophobicContact CB-CZ 4.43Å; E345-F349 WeakPolarHBondContact O-CB 3.47Å; E345-F349 PolarHBondContact O-N 3.04Å; Y346-F349 PolarHBondContact O-N 3.32Å; F349-K351 VanDerWaalsContact C-N 3.25Å; F349-K351 PolarHBondContact O-N 3.21Å; F349-R352 PolarHBondContact O-N 3.29Å; F349-L353 HydrophobicContact CE1-CD1 4.46Å; F349-L353 HydrophobicContact CZ-CD1 4.41Å; F349-L353 PolarHBondContact O-N 2.75Å; F349-L356 HydrophobicContact CE2-CD1 4.35Å
350V76.2Confident74.4Confident70 Ų7083.8 Ų83.842%0.42443%0.427SS..Hα-helixtrans-58.9-37.7178.8172.60000111.5Y346 R347 R352 L353Y346-V350 HydrophobicContact CD1-CG2 4.16Å; Y346-V350 HydrophobicContact CE1-CG2 3.71Å; Y346-V350 HydrophobicContact CE2-CG2 4.46Å; Y346-V350 WeakPolarHBondContact O-CG2 3.42Å; Y346-V350 PolarHBondContact O-N 3.34Å; R347-V350 PolarHBondContact O-N 3.38Å; V350-R352 VanDerWaalsContact C-N 3.33Å; V350-R352 PolarHBondContact O-N 3.04Å; V350-L353 WeakPolarHBondContact O-CB 3.35Å; V350-L353 PolarHBondContact O-N 3.5Å
351K82.2Confident76.8Confident129 Ų12989.7 Ų89.756%0.56144%0.439SS*.Hα-helixtrans-63.6-34.2174.4-72.8172.8-174.5166.20113.6R347 D348 F349R347-K351 WeakPolarHBondContact O-CG 3.34Å; R347-K351 PolarHBondContact O-N 3.02Å; D348-K351 IonicContact OD1-NZ 3.84Å; D348-K351 PolarHBondContact OD1-NZ 3.11Å; F349-K351 VanDerWaalsContact C-N 3.25Å; F349-K351 PolarHBondContact O-N 3.21Å
352R83.1Confident78.8Confident155 Ų15587 Ų8759%0.58542%0.422SS*.Hα-helixtrans-84.1-15.4179.5-66.7179-128.9-172-0.6113.1D348 F349 V350 S355 L356D348-R352 WeakPolarHBondContact O-CG 3.28Å; D348-R352 PolarHBondContact O-N 3.39Å; D348-R352 PolarHBondContact O-NE 3.34Å; F349-R352 PolarHBondContact O-N 3.29Å; V350-R352 VanDerWaalsContact C-N 3.33Å; V350-R352 PolarHBondContact O-N 3.04Å; R352-S355 PolarHBondContact O-N 3.28Å; R352-S355 PolarHBondContact O-OG 2.96Å; R352-L356 HydrophobicContact CB-CD1 4.49Å; R352-L356 WeakPolarHBondContact O-CG 3.32Å; R352-L356 PolarHBondContact O-N 3.19Å
353L79.7Confident80.5Confident44 Ų4483.6 Ų83.623%0.2340%0.399CS..Hα-helixtrans-56.6-42.4-174.6-174.665.1000114.1F349 V350 S355 L356 Q357F349-L353 HydrophobicContact CE1-CD1 4.46Å; F349-L353 HydrophobicContact CZ-CD1 4.41Å; F349-L353 PolarHBondContact O-N 2.75Å; V350-L353 WeakPolarHBondContact O-CB 3.35Å; V350-L353 PolarHBondContact O-N 3.5Å; L353-S355 PolarHBondContact O-N 3.31Å; L353-L356 PolarHBondContact O-N 2.71Å; L353-Q357 HydrophobicContact CD1-CG 4.39Å; L353-Q357 HydrophobicContact CG-CG 4.45Å; L353-Q357 WeakPolarHBondContact O-CB 3.44Å; L353-Q357 VanDerWaalsContact O-CG 3.31Å; L353-Q357 WeakPolarHBondContact O-CG 3.13Å; L353-Q357 PolarHBondContact O-N 3.08Å
354P86.9Confident82.2Confident79 Ų7979 Ų7951%0.51338%0.384SS..Hα-helixtrans-62.4-39.2177.8-23.735.2000113.3Q357 A358P354-Q357 PolarHBondContact O-N 3.04Å; P354-A358 PolarHBondContact O-N 2.75Å
355S86.8Confident83.3Confident71 Ų7179.2 Ų79.250%0.49738%0.379SS..Hα-helixtrans-69.6-41.3177.763.90000111.3R352 L353 Q357 A358 E359R352-S355 PolarHBondContact O-N 3.28Å; R352-S355 PolarHBondContact O-OG 2.96Å; L353-S355 PolarHBondContact O-N 3.31Å; S355-Q357 VanDerWaalsContact C-N 3.3Å; S355-Q357 PolarHBondContact O-N 3.08Å; S355-A358 WeakPolarHBondContact O-CB 3.43Å; S355-A358 PolarHBondContact O-N 2.96Å; S355-E359 WeakPolarHBondContact O-CB 3.43Å; S355-E359 PolarHBondContact O-N 3.48Å
356L86.1Confident84.8Confident13 Ų1374.3 Ų74.37%0.06836%0.357CS..Hα-helixtrans-62.2-36.5174-66.1176.7000112.4L314 L318 F349 R352 L353 R360L314-L356 HydrophobicContact CD2-CD2 4.34Å; L318-L356 HydrophobicContact CD2-CB 4.24Å; L318-L356 HydrophobicContact CD2-CD1 4.41Å; F349-L356 HydrophobicContact CE2-CD1 4.35Å; R352-L356 HydrophobicContact CB-CD1 4.49Å; R352-L356 WeakPolarHBondContact O-CG 3.32Å; R352-L356 PolarHBondContact O-N 3.19Å; L353-L356 PolarHBondContact O-N 2.71Å; L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 PolarHBondContact O-N 3.07Å
357Q86.2Confident86.4Confident93 Ų9370.2 Ų70.244%0.43535%0.345SS..Hα-helixtrans-69.2-38.6174.1-75177.1-1100112.4L353 P354 S355 R361L353-Q357 HydrophobicContact CD1-CG 4.39Å; L353-Q357 HydrophobicContact CG-CG 4.45Å; L353-Q357 WeakPolarHBondContact O-CB 3.44Å; L353-Q357 VanDerWaalsContact O-CG 3.31Å; L353-Q357 WeakPolarHBondContact O-CG 3.13Å; L353-Q357 PolarHBondContact O-N 3.08Å; P354-Q357 PolarHBondContact O-N 3.04Å; S355-Q357 VanDerWaalsContact C-N 3.3Å; S355-Q357 PolarHBondContact O-N 3.08Å; Q357-R361 WeakPolarHBondContact O-CG 3.48Å; Q357-R361 PolarHBondContact O-N 3.32Å; Q357-R361 VanDerWaalsContact O-N 3.08Å
358A88.4Confident87.6Confident43 Ų4363 Ų6336%0.35532%0.32SS..Hα-helixtrans-62.6-46.6173.200000110.9P354 S355 R360 R361 S362P354-A358 PolarHBondContact O-N 2.75Å; S355-A358 WeakPolarHBondContact O-CB 3.43Å; S355-A358 PolarHBondContact O-N 2.96Å; A358-R360 PolarHBondContact O-N 2.99Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.16Å; A358-S362 PolarHBondContact O-N 3.41Å
359E89.4Confident88.5Confident35 Ų3560 Ų6016%0.16430%0.303CS..Hα-helixtrans-63.6-39.3178.1-162-170.1139.500112.1R310 L314 S355 R361 S362 A363R310-E359 IonicContact CZ-OE1 2.65Å; R310-E359 IonicContact CZ-OE2 2.86Å; R310-E359 IonicContact NE-OE1 3.63Å; R310-E359 IonicContact NH1-OE1 2.61Å; R310-E359 PolarHBondContact NH1-OE1 2.98Å; R310-E359 IonicContact NH1-OE2 3.68Å; R310-E359 IonicContact NH2-OE1 3.61Å; R310-E359 PolarHBondContact NH2-OE1 2.97Å; R310-E359 VanDerWaalsContact NH2-OE1 3.1Å; R310-E359 IonicContact NH2-OE2 3.1Å; L314-E359 HydrophobicContact CD1-CG 4Å; L314-E359 WeakPolarHBondContact CD1-OE1 3.43Å; L314-E359 HydrophobicContact CD2-CB 4.06Å; L314-E359 HydrophobicContact CD2-CG 3.9Å; L314-E359 WeakPolarHBondContact CD2-OE1 3.31Å; L314-E359 HydrophobicContact CG-CG 4.39Å; L314-E359 WeakPolarHBondContact CG-OE1 3.45Å; S355-E359 WeakPolarHBondContact O-CB 3.43Å; S355-E359 PolarHBondContact O-N 3.48Å; E359-R361 PolarHBondContact O-N 3.44Å; E359-S362 WeakPolarHBondContact O-CB 3.35Å; E359-S362 PolarHBondContact O-N 3.49Å; E359-A363 WeakPolarHBondContact O-CB 3.43Å; E359-A363 PolarHBondContact O-N 3.39Å
360R89.9Confident89.6Confident153 Ų15359 Ų5958%0.57730%0.301SS*.Hα-helixtrans-61.7-41.2173-178.1178.3175.7175.9-0.5112.5L356 A358 A364L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 PolarHBondContact O-N 3.07Å; A358-R360 PolarHBondContact O-N 2.99Å; R360-A364 PolarHBondContact O-N 2.93Å
361R91.5Very high90.5Very high171 Ų17161 Ų6165%0.64531%0.307SS*.Hα-helixtrans-66.9-41.1176.1-75-174.7-67.41690.7111.4Q357 A358 E359 A364 T365Q357-R361 WeakPolarHBondContact O-CG 3.48Å; Q357-R361 PolarHBondContact O-N 3.32Å; Q357-R361 VanDerWaalsContact O-N 3.08Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.16Å; E359-R361 PolarHBondContact O-N 3.44Å; R361-A364 PolarHBondContact O-N 3.28Å; R361-T365 WeakPolarHBondContact O-CB 3.28Å; R361-T365 PolarHBondContact O-N 2.88Å; R361-T365 PolarHBondContact O-OG1 3.15Å
362S93.7Very high91Very high10 Ų1055.2 Ų55.27%0.0728%0.281CS..Hα-helixtrans-59.3-48.7173.4171.40000111.2D289 A358 E359 A364 T365 H366D289-S362 PolarHBondContact OD1-OG 3.23Å; D289-S362 VanDerWaalsContact OD2-CB 3.23Å; D289-S362 WeakPolarHBondContact OD2-CB 3.31Å; D289-S362 PolarHBondContact OD2-OG 3Å; A358-S362 PolarHBondContact O-N 3.41Å; E359-S362 WeakPolarHBondContact O-CB 3.35Å; E359-S362 PolarHBondContact O-N 3.49Å; S362-A364 PolarHBondContact O-N 3Å; S362-T365 WeakPolarHBondContact O-CB 3.38Å; S362-T365 PolarHBondContact O-N 3.27Å; S362-T365 VanDerWaalsContact O-N 3.1Å; S362-H366 PolarHBondContact O-CD2 3.32Å; S362-H366 PolarHBondContact O-N 3.22Å; S362-H366 PolarHBondContact OG-CD2 2.86Å
363A93.9Very high91.3Very high4 Ų447.9 Ų47.93%0.03325%0.254CS..Hα-helixtrans-59.7-42.3177.500000112.9L291 I311 L314 E359 T367L291-A363 VanDerWaalsContact CD2-CA 3.46Å; L291-A363 HydrophobicContact CD2-CB 3.82Å; I311-A363 HydrophobicContact CG1-CB 4.19Å; L314-A363 HydrophobicContact CD1-CB 4.05Å; E359-A363 WeakPolarHBondContact O-CB 3.43Å; E359-A363 PolarHBondContact O-N 3.39Å; A363-T367 WeakPolarHBondContact O-CB 3.39Å; A363-T367 PolarHBondContact O-N 3.27Å; A363-T367 PolarHBondContact O-OG1 3.06Å
364A93.1Very high91.9Very high56 Ų5651 Ų5146%0.46327%0.266SS..Hα-helixtrans-61.8-45.7173.700000111.6R360 R361 S362 T367 T368R360-A364 PolarHBondContact O-N 2.93Å; R361-A364 PolarHBondContact O-N 3.28Å; S362-A364 PolarHBondContact O-N 3Å; A364-T367 PolarHBondContact O-N 3.28Å; A364-T368 PolarHBondContact O-N 3.29Å; A364-T368 PolarHBondContact O-OG1 2.85Å
365T95.2Very high92.1Very high35 Ų3553.5 Ų53.522%0.21527%0.27CS..Hα-helixtrans-58.7-50.2178.1-570000111.4F267 L283 R361 S362 T367 T368 I369F267-T365 HydrophobicContact CE1-CG2 3.94Å; L283-T365 HydrophobicContact CD1-CG2 3.5Å; L283-T365 VanDerWaalsContact CD1-CG2 3.5Å; R361-T365 WeakPolarHBondContact O-CB 3.28Å; R361-T365 PolarHBondContact O-N 2.88Å; R361-T365 PolarHBondContact O-OG1 3.15Å; S362-T365 WeakPolarHBondContact O-CB 3.38Å; S362-T365 PolarHBondContact O-N 3.27Å; S362-T365 VanDerWaalsContact O-N 3.1Å; T365-T367 VanDerWaalsContact C-N 3.35Å; T365-T367 PolarHBondContact O-N 3.29Å; T365-T368 PolarHBondContact O-N 3.01Å; T365-I369 HydrophobicContact CG2-CD1 3.98Å; T365-I369 WeakPolarHBondContact O-CG1 3.22Å; T365-I369 PolarHBondContact O-N 3.01Å
366H96.2Very high92.3Very high4 Ų452.4 Ų52.42%0.01926%0.26CS..Hα-helixtrans-72.4-26.3-179-74.7-62.6000113.6Y245 D289 Y292 L295 L307 S362 A370Y245-H366 AromaticContact CE1-ND1 3.63Å; Y245-H366 AromaticContact CZ-ND1 3.75Å; Y245-H366 PolarHBondContact OH-ND1 2.93Å; Y245-H366 PolarHBondContact OH-O 3.46Å; D289-H366 IonicContact OD2-NE2 3.94Å; Y292-H366 AromaticContact CD2-CE1 3.22Å; Y292-H366 WeakPolarHBondContact CD2-CE1 3.46Å; Y292-H366 AromaticContact CD2-ND1 3.96Å; Y292-H366 AromaticContact CD2-NE2 3.79Å; Y292-H366 AromaticContact CE2-CE1 4Å; Y292-H366 AromaticContact CG-CE1 3.88Å; L295-H366 HydrophobicContact CD1-CB 4.03Å; L307-H366 HydrophobicContact CD2-CB 4.07Å; S362-H366 PolarHBondContact O-CD2 3.32Å; S362-H366 PolarHBondContact O-N 3.22Å; S362-H366 PolarHBondContact OG-CD2 2.86Å; H366-A370 WeakPolarHBondContact O-CB 3.43Å; H366-A370 PolarHBondContact O-N 3.16Å
367T96.4Very high92.3Very high40 Ų4052.7 Ų52.725%0.24526%0.263CS..Hα-helixtrans-64-49.9169.7-57.90000110.1A363 A364 T365 I369 A370 E371A363-T367 WeakPolarHBondContact O-CB 3.39Å; A363-T367 PolarHBondContact O-N 3.27Å; A363-T367 PolarHBondContact O-OG1 3.06Å; A364-T367 PolarHBondContact O-N 3.28Å; T365-T367 VanDerWaalsContact C-N 3.35Å; T365-T367 PolarHBondContact O-N 3.29Å; T367-I369 PolarHBondContact O-N 3.28Å; T367-A370 PolarHBondContact O-N 3.45Å; T367-E371 WeakPolarHBondContact O-CG 3.39Å; T367-E371 PolarHBondContact O-N 3.07Å
368T95.7Very high92.4Very high20 Ų2052.8 Ų52.812%0.12327%0.265CS..Hα-helixtrans-59.3-46.3176-58.90000111.8N266 F267 A364 T365 A370 E371 M372N266-T368 HydrophobicContact CB-CG2 3.8Å; N266-T368 VanDerWaalsContact O-CG2 3.31Å; N266-T368 WeakPolarHBondContact O-CG2 3.39Å; F267-T368 HydrophobicContact CD1-CG2 3.96Å; F267-T368 HydrophobicContact CD2-CG2 4.48Å; F267-T368 HydrophobicContact CE1-CG2 3.84Å; F267-T368 HydrophobicContact CE2-CG2 4.36Å; F267-T368 HydrophobicContact CG-CG2 4.29Å; F267-T368 HydrophobicContact CZ-CG2 4.05Å; A364-T368 PolarHBondContact O-N 3.29Å; A364-T368 PolarHBondContact O-OG1 2.85Å; T365-T368 PolarHBondContact O-N 3.01Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.25Å; T368-E371 PolarHBondContact O-N 2.85Å; T368-M372 HydrophobicContact CG2-SD 4.08Å; T368-M372 VanDerWaalsContact O-CG 3.22Å; T368-M372 WeakPolarHBondContact O-CG 3.45Å; T368-M372 PolarHBondContact O-N 3.34Å
369I94.5Very high92.4Very high0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-61.3-42.9177.3-66.6167.6000110.8Y245 I249 F262 F267 L283 T365 T367 M372 I373Y245-I369 HydrophobicContact CE2-CG2 4.18Å; Y245-I369 WeakPolarHBondContact OH-CB 3.31Å; Y245-I369 WeakPolarHBondContact OH-CG2 3.39Å; I249-I369 HydrophobicContact CD1-CG2 4.01Å; I249-I369 HydrophobicContact CG1-CG2 4Å; F262-I369 HydrophobicContact CD1-CG1 4.22Å; F262-I369 HydrophobicContact CE1-CD1 4.21Å; F262-I369 HydrophobicContact CE1-CG1 3.99Å; F262-I369 HydrophobicContact CE1-CG2 4.03Å; F262-I369 HydrophobicContact CE2-CD1 4.14Å; F262-I369 HydrophobicContact CZ-CD1 3.9Å; F262-I369 HydrophobicContact CZ-CG1 4.2Å; F262-I369 HydrophobicContact CZ-CG2 4.43Å; F267-I369 HydrophobicContact CE1-CG1 4.23Å; F267-I369 HydrophobicContact CZ-CG1 4.02Å; L283-I369 HydrophobicContact CD1-CD1 3.97Å; T365-I369 HydrophobicContact CG2-CD1 3.98Å; T365-I369 WeakPolarHBondContact O-CG1 3.22Å; T365-I369 PolarHBondContact O-N 3.01Å; T367-I369 PolarHBondContact O-N 3.28Å; I369-M372 PolarHBondContact O-N 2.91Å; I369-I373 HydrophobicContact CG2-CD1 3.93Å; I369-I373 HydrophobicContact CG2-CG1 4.43Å; I369-I373 WeakPolarHBondContact O-CG1 3.01Å; I369-I373 PolarHBondContact O-N 3.44Å
370A96.1Very high92.3Very high13 Ų1356.6 Ų56.611%0.10728%0.284CS..Hα-helixtrans-64.6-38.9178.800000112.3Y245 F300 V303 L307 H366 T367 T368 I373 K374Y245-A370 HydrophobicContact CE2-CB 4.39Å; F300-A370 HydrophobicContact CE2-CB 4.39Å; F300-A370 WeakPolarHBondContact CZ-O 3.39Å; V303-A370 HydrophobicContact CG1-CB 4.28Å; L307-A370 HydrophobicContact CD1-CB 3.95Å; H366-A370 WeakPolarHBondContact O-CB 3.43Å; H366-A370 PolarHBondContact O-N 3.16Å; T367-A370 PolarHBondContact O-N 3.45Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.25Å; A370-I373 PolarHBondContact O-N 2.96Å; A370-K374 WeakPolarHBondContact O-CB 3.28Å; A370-K374 PolarHBondContact O-N 3.39Å
371E94.8Very high92Very high114 Ų11452.3 Ų52.353%0.53327%0.272SS..Hα-helixtrans-61.2-45.9173.1-71.9169.2167.800111.3T367 T368 I373 K374 E375T367-E371 WeakPolarHBondContact O-CG 3.39Å; T367-E371 PolarHBondContact O-N 3.07Å; T368-E371 PolarHBondContact O-N 2.85Å; E371-I373 PolarHBondContact O-N 3.12Å; E371-K374 WeakPolarHBondContact O-CA 3.33Å; E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 3.36Å; E371-K374 VanDerWaalsContact O-N 3.08Å; E371-E375 PolarHBondContact O-N 2.93Å
372M92.4Very high91.9Very high7 Ų745.8 Ų45.83%0.03425%0.249CC..Hα-helixtrans-63.7-38.2177.8-66.9172.27200112.9Y253 P263 N266 F267 T368 I369 K374Y253-M372 HydrophobicContact CE1-CE 3.88Å; Y253-M372 WeakPolarHBondContact OH-CB 3.33Å; Y253-M372 VanDerWaalsContact OH-CE 3.23Å; Y253-M372 WeakPolarHBondContact OH-CE 3.41Å; P263-M372 HydrophobicContact CG-CE 4.01Å; N266-M372 HydrophobicContact CB-CG 4.45Å; N266-M372 HydrophobicContact CB-SD 3.86Å; F267-M372 HydrophobicContact CE2-SD 4.4Å; F267-M372 HydrophobicContact CZ-SD 4.45Å; T368-M372 HydrophobicContact CG2-SD 4.08Å; T368-M372 VanDerWaalsContact O-CG 3.22Å; T368-M372 WeakPolarHBondContact O-CG 3.45Å; T368-M372 PolarHBondContact O-N 3.34Å; I369-M372 PolarHBondContact O-N 2.91Å; M372-K374 VanDerWaalsContact C-N 3.34Å
373I90.6Very high91.6Very high0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-67.1-40.8172.2-65.4169.8000109.7Y245 L248 I249 I252 Y253 F300 I369 A370 E371 E375 V376 T377Y245-I373 HydrophobicContact CD2-CD1 3.89Å; Y245-I373 HydrophobicContact CE2-CD1 3.65Å; L248-I373 HydrophobicContact CB-CD1 4.38Å; L248-I373 HydrophobicContact CB-CG2 4Å; L248-I373 HydrophobicContact CD1-CG2 3.71Å; L248-I373 HydrophobicContact CG-CG2 4.4Å; I249-I373 HydrophobicContact CG1-CD1 3.63Å; I252-I373 HydrophobicContact CD1-CB 4.4Å; I252-I373 HydrophobicContact CD1-CG1 4.21Å; I252-I373 HydrophobicContact CD1-CG2 4.07Å; Y253-I373 HydrophobicContact CE2-CG1 4.43Å; F300-I373 HydrophobicContact CD1-CG2 4.26Å; F300-I373 HydrophobicContact CD2-CG2 3.96Å; F300-I373 HydrophobicContact CE1-CG2 3.85Å; F300-I373 HydrophobicContact CE2-CB 3.8Å; F300-I373 HydrophobicContact CE2-CD1 4.29Å; F300-I373 HydrophobicContact CE2-CG2 3.52Å; F300-I373 HydrophobicContact CG-CG2 4.32Å; F300-I373 HydrophobicContact CZ-CB 3.76Å; F300-I373 HydrophobicContact CZ-CG2 3.46Å; F300-I373 VanDerWaalsContact CZ-CG2 3.46Å; I369-I373 HydrophobicContact CG2-CD1 3.93Å; I369-I373 HydrophobicContact CG2-CG1 4.43Å; I369-I373 WeakPolarHBondContact O-CG1 3.01Å; I369-I373 PolarHBondContact O-N 3.44Å; A370-I373 PolarHBondContact O-N 2.96Å; E371-I373 PolarHBondContact O-N 3.12Å; I373-E375 VanDerWaalsContact C-N 3.31Å; I373-E375 PolarHBondContact O-N 3.08Å; I373-V376 PolarHBondContact O-N 3.19Å; I373-T377 HydrophobicContact CG2-CG2 3.89Å; I373-T377 WeakPolarHBondContact O-CG2 3.35Å; I373-T377 PolarHBondContact O-N 3.12Å; I373-T377 PolarHBondContact O-OG1 3.27Å
374K92.9Very high91.3Very high111 Ų11152.7 Ų52.748%0.48328%0.281SS..Hα-helixtrans-58-44.9-180-173.760.4175.7172.10111.1F300 A370 E371 M372 V376 T377 I378F300-K374 HydrophobicContact CE1-CB 4.41Å; F300-K374 HydrophobicContact CE1-CD 4.12Å; F300-K374 HydrophobicContact CZ-CB 4.18Å; A370-K374 WeakPolarHBondContact O-CB 3.28Å; A370-K374 PolarHBondContact O-N 3.39Å; E371-K374 WeakPolarHBondContact O-CA 3.33Å; E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 3.36Å; E371-K374 VanDerWaalsContact O-N 3.08Å; M372-K374 VanDerWaalsContact C-N 3.34Å; K374-V376 PolarHBondContact O-N 3.23Å; K374-T377 WeakPolarHBondContact CA-OG1 3.26Å; K374-T377 PolarHBondContact O-N 2.68Å; K374-T377 VanDerWaalsContact O-N 3.16Å; K374-T377 PolarHBondContact O-OG1 2.83Å; K374-I378 HydrophobicContact CD-CG2 3.86Å; K374-I378 VanDerWaalsContact CE-CG2 3.46Å; K374-I378 HydrophobicContact CG-CG2 4.3Å; K374-I378 WeakPolarHBondContact O-CG1 3.31Å; K374-I378 WeakPolarHBondContact O-CG2 2.98Å; K374-I378 PolarHBondContact O-N 3.4Å; K374-I378 VanDerWaalsContact O-N 3.07Å
375E90.9Very high91.2Very high130 Ų13051.1 Ų51.161%0.60727%0.266SS*.Hα-helixtrans-53.5-38.7175.1-72-179.617100113E371 I373E371-E375 PolarHBondContact O-N 2.93Å; I373-E375 VanDerWaalsContact C-N 3.31Å; I373-E375 PolarHBondContact O-N 3.08Å
376V89.9Confident90.9Very high48 Ų4851.3 Ų51.329%0.29127%0.265SS..Hα-helixtrans-73.4-47.9176.4179.40000111.1I252 I373 K374 I378 S379 F382I252-V376 HydrophobicContact CD1-CB 3.9Å; I252-V376 HydrophobicContact CD1-CG1 3.93Å; I252-V376 HydrophobicContact CD1-CG2 4.09Å; I252-V376 HydrophobicContact CG1-CG1 4.25Å; I252-V376 HydrophobicContact CG2-CG2 4.17Å; I373-V376 PolarHBondContact O-N 3.19Å; K374-V376 PolarHBondContact O-N 3.23Å; V376-I378 VanDerWaalsContact C-N 3.25Å; V376-I378 PolarHBondContact O-N 2.9Å; V376-S379 WeakPolarHBondContact O-CB 3.43Å; V376-S379 PolarHBondContact O-N 3.22Å; V376-S379 VanDerWaalsContact O-N 3.07Å; V376-S379 PolarHBondContact O-OG 2.98Å; V376-F382 HydrophobicContact CG1-CD2 4.22Å; V376-F382 WeakPolarHBondContact O-CB 3.02Å
377T87.1Confident90.6Very high20 Ų2054.2 Ų54.212%0.12328%0.281CS..Hα-helixtrans-67.4-20.6-174.160.30000114.5L248 F300 I373 K374 F382L248-T377 HydrophobicContact CD1-CG2 4.13Å; L248-T377 HydrophobicContact CD2-CG2 4.49Å; F300-T377 HydrophobicContact CD1-CG2 4.15Å; F300-T377 HydrophobicContact CE1-CG2 4.09Å; I373-T377 HydrophobicContact CG2-CG2 3.89Å; I373-T377 WeakPolarHBondContact O-CG2 3.35Å; I373-T377 PolarHBondContact O-N 3.12Å; I373-T377 PolarHBondContact O-OG1 3.27Å; K374-T377 WeakPolarHBondContact CA-OG1 3.26Å; K374-T377 PolarHBondContact O-N 2.68Å; K374-T377 VanDerWaalsContact O-N 3.16Å; K374-T377 PolarHBondContact O-OG1 2.83Å; T377-F382 HydrophobicContact CG2-CD1 4.46Å; T377-F382 HydrophobicContact CG2-CE1 4Å; T377-F382 HydrophobicContact CG2-CE2 4.28Å; T377-F382 HydrophobicContact CG2-CZ 3.91Å; T377-F382 WeakPolarHBondContact O-CD1 3.45Å
378I88.8Confident90.1Very high94 Ų9452.7 Ų52.748%0.48227%0.272SS..THydrogen-bonded Turntrans-91.6-3.6174.967.8179.1000113.5K374 V376K374-I378 HydrophobicContact CD-CG2 3.86Å; K374-I378 VanDerWaalsContact CE-CG2 3.46Å; K374-I378 HydrophobicContact CG-CG2 4.3Å; K374-I378 WeakPolarHBondContact O-CG1 3.31Å; K374-I378 WeakPolarHBondContact O-CG2 2.98Å; K374-I378 PolarHBondContact O-N 3.4Å; K374-I378 VanDerWaalsContact O-N 3.07Å; V376-I378 VanDerWaalsContact C-N 3.25Å; V376-I378 PolarHBondContact O-N 2.9Å
379S87Confident89.9Confident42 Ų4251.9 Ų51.929%0.29427%0.266SS..SBendtrans-72.3143.4179.670.90000111.3V376 L381 F382 I383V376-S379 WeakPolarHBondContact O-CB 3.43Å; V376-S379 PolarHBondContact O-N 3.22Å; V376-S379 VanDerWaalsContact O-N 3.07Å; V376-S379 PolarHBondContact O-OG 2.98Å; S379-L381 PolarHBondContact O-N 2.83Å; S379-L381 VanDerWaalsContact O-N 3.14Å; S379-F382 PolarHBondContact O-N 2.7Å; S379-F382 WeakPolarHBondContact OG-CB 3.45Å; S379-F382 PolarHBondContact OG-N 2.76Å; S379-I383 PolarHBondContact O-N 3.14Å
380D86.8Confident89.3Confident117 Ų11753.4 Ų53.463%0.62627%0.273SS*.Hα-helixtrans-53.3-37.5175.9-62.1-13.4000111.9F382 E384D380-F382 VanDerWaalsContact C-N 3.34Å; D380-F382 PolarHBondContact O-N 3.21Å; D380-E384 VanDerWaalsContact O-CB 3.25Å; D380-E384 WeakPolarHBondContact O-CB 3.25Å; D380-E384 WeakPolarHBondContact O-CG 3.44Å; D380-E384 PolarHBondContact O-N 3.47Å
381L85.5Confident88Confident63 Ų6353.4 Ų53.433%0.3328%0.275SS..Hα-helixtrans-60.3-44.4177.8-177.470.9000111.5S379 T385 W409S379-L381 PolarHBondContact O-N 2.83Å; S379-L381 VanDerWaalsContact O-N 3.14Å; L381-T385 WeakPolarHBondContact O-CB 3.48Å; L381-T385 PolarHBondContact O-N 3.17Å; L381-T385 PolarHBondContact O-OG1 3.44Å; L381-W409 HydrophobicContact CD1-CH2 4.33Å; L381-W409 HydrophobicContact CD1-CZ2 3.9Å
382F87.5Confident86.4Confident33 Ų3354.3 Ų54.315%0.14528%0.283CS..Hα-helixtrans-70.2-48.2179.9-174.7-86.4000111.1T241 L243 L248 V376 T377 S379 D380 E384 T385 L386T241-F382 HydrophobicContact CG2-CE2 3.85Å; T241-F382 HydrophobicContact CG2-CZ 4.07Å; L243-F382 HydrophobicContact CD2-CZ 3.98Å; L248-F382 HydrophobicContact CD2-CE2 4.11Å; L248-F382 HydrophobicContact CD2-CZ 4.09Å; V376-F382 HydrophobicContact CG1-CD2 4.22Å; V376-F382 WeakPolarHBondContact O-CB 3.02Å; T377-F382 HydrophobicContact CG2-CD1 4.46Å; T377-F382 HydrophobicContact CG2-CE1 4Å; T377-F382 HydrophobicContact CG2-CE2 4.28Å; T377-F382 HydrophobicContact CG2-CZ 3.91Å; T377-F382 WeakPolarHBondContact O-CD1 3.45Å; S379-F382 PolarHBondContact O-N 2.7Å; S379-F382 WeakPolarHBondContact OG-CB 3.45Å; S379-F382 PolarHBondContact OG-N 2.76Å; D380-F382 VanDerWaalsContact C-N 3.34Å; D380-F382 PolarHBondContact O-N 3.21Å; F382-E384 PolarHBondContact O-N 3.18Å; F382-T385 PolarHBondContact O-N 3.43Å; F382-L386 HydrophobicContact CE1-CD2 4.12Å; F382-L386 WeakPolarHBondContact O-CB 3.41Å; F382-L386 PolarHBondContact O-N 3.03Å
383I88.6Confident84.3Confident70 Ų7059.4 Ų59.436%0.35931%0.31SS..Hα-helixtrans-59.8-50.2-178.2-66.1169.9000110.9S379 T385 L386 N387S379-I383 PolarHBondContact O-N 3.14Å; I383-T385 VanDerWaalsContact C-N 3.33Å; I383-T385 PolarHBondContact O-N 2.95Å; I383-L386 PolarHBondContact O-N 2.87Å; I383-N387 WeakPolarHBondContact O-CB 3.12Å; I383-N387 VanDerWaalsContact O-CG 3.24Å; I383-N387 PolarHBondContact O-N 3.03Å; I383-N387 PolarHBondContact O-ND2 2.9Å
384E88Confident82.3Confident89 Ų8966.8 Ų66.842%0.41634%0.343SS..Hα-helixtrans-67.8-33.8-179.4-67.7-67.6167.500112.4D380 F382 N387 C388 W409D380-E384 VanDerWaalsContact O-CB 3.25Å; D380-E384 WeakPolarHBondContact O-CB 3.25Å; D380-E384 WeakPolarHBondContact O-CG 3.44Å; D380-E384 PolarHBondContact O-N 3.47Å; F382-E384 PolarHBondContact O-N 3.18Å; E384-N387 PolarHBondContact O-N 3.35Å; E384-C388 WeakPolarHBondContact O-CB 3.35Å; E384-C388 PolarHBondContact O-N 3.28Å; E384-W409 HydrophobicContact CB-CD2 3.73Å; E384-W409 VanDerWaalsContact CB-CE2 3.44Å; E384-W409 HydrophobicContact CB-CE3 3.81Å; E384-W409 HydrophobicContact CB-CH2 3.39Å; E384-W409 HydrophobicContact CB-CZ2 3.29Å; E384-W409 HydrophobicContact CB-CZ3 3.65Å; E384-W409 HydrophobicContact CG-CE3 4.26Å; E384-W409 HydrophobicContact CG-CH2 3.84Å; E384-W409 HydrophobicContact CG-CZ2 4.25Å; E384-W409 HydrophobicContact CG-CZ3 3.84Å
385T89.6Confident80.7Confident24 Ų2464.8 Ų64.815%0.14734%0.34CS..Hα-helixtrans-63.8-47.6172.4-61.60000110.4L381 F382 I383 N387 C388 E389 W409 L444L381-T385 WeakPolarHBondContact O-CB 3.48Å; L381-T385 PolarHBondContact O-N 3.17Å; L381-T385 PolarHBondContact O-OG1 3.44Å; F382-T385 PolarHBondContact O-N 3.43Å; I383-T385 VanDerWaalsContact C-N 3.33Å; I383-T385 PolarHBondContact O-N 2.95Å; T385-N387 VanDerWaalsContact C-N 3.34Å; T385-N387 PolarHBondContact O-N 2.89Å; T385-C388 WeakPolarHBondContact O-CB 3.45Å; T385-C388 PolarHBondContact O-N 2.84Å; T385-C388 VanDerWaalsContact O-N 3.16Å; T385-E389 WeakPolarHBondContact CG2-OE1 3.3Å; T385-E389 WeakPolarHBondContact O-CG 3.24Å; T385-E389 PolarHBondContact O-N 3.01Å; T385-W409 PolarHBondContact OG1-NE1 2.97Å; T385-L444 HydrophobicContact CG2-CD1 4.32Å; T385-L444 HydrophobicContact CG2-CD2 4.05Å; T385-L444 HydrophobicContact CG2-CG 4.44Å
386L90.7Very high80.1Confident38 Ų3858.6 Ų58.620%0.19931%0.311CS..Hα-helixtrans-63.4-39.7178.5-16866000111.9L243 F382 I383 C388 E389 Q390 G391L243-L386 HydrophobicContact CD1-CD1 4.2Å; L243-L386 HydrophobicContact CD1-CD2 4.49Å; L243-L386 HydrophobicContact CD2-CD1 4.28Å; F382-L386 HydrophobicContact CE1-CD2 4.12Å; F382-L386 WeakPolarHBondContact O-CB 3.41Å; F382-L386 PolarHBondContact O-N 3.03Å; I383-L386 PolarHBondContact O-N 2.87Å; L386-C388 VanDerWaalsContact C-N 3.29Å; L386-C388 PolarHBondContact O-N 3.33Å; L386-E389 PolarHBondContact O-N 2.8Å; L386-Q390 HydrophobicContact CD1-CG 4.11Å; L386-Q390 PolarHBondContact O-N 3.24Å; L386-G391 PolarHBondContact O-N 2.66Å
387N88.2Confident79.9Confident65 Ų6556.6 Ų56.635%0.34830%0.298SS..Hα-helixtrans-62.5-35.4174.7-72.1-18.7000112.7I383 E384 T385 G391 T395I383-N387 WeakPolarHBondContact O-CB 3.12Å; I383-N387 VanDerWaalsContact O-CG 3.24Å; I383-N387 PolarHBondContact O-N 3.03Å; I383-N387 PolarHBondContact O-ND2 2.9Å; E384-N387 PolarHBondContact O-N 3.35Å; T385-N387 VanDerWaalsContact C-N 3.34Å; T385-N387 PolarHBondContact O-N 2.89Å; N387-G391 WeakPolarHBondContact O-CA 3.5Å; N387-G391 PolarHBondContact O-N 3.4Å; N387-T395 PolarHBondContact O-OG1 2.72Å
388C87Confident79.9Confident9 Ų955.8 Ų55.86%0.06129%0.293CS..Hα-helixtrans-71.4-36.2174.9-167.30000112.1E384 T385 L386 T395 F397 L444E384-C388 WeakPolarHBondContact O-CB 3.35Å; E384-C388 PolarHBondContact O-N 3.28Å; T385-C388 WeakPolarHBondContact O-CB 3.45Å; T385-C388 PolarHBondContact O-N 2.84Å; T385-C388 VanDerWaalsContact O-N 3.16Å; L386-C388 VanDerWaalsContact C-N 3.29Å; L386-C388 PolarHBondContact O-N 3.33Å; C388-T395 VanDerWaalsContact O-O 3.13Å; C388-F397 WeakPolarHBondContact O-CD2 3.38Å; C388-F397 WeakPolarHBondContact O-CG 3.2Å; C388-F397 PolarHBondContact O-N 3.35Å; C388-F397 WeakPolarHBondContact SG-CE2 3.43Å; C388-F397 WeakPolarHBondContact SG-CZ 3.41Å; C388-L444 HydrophobicContact CB-CD2 4.44Å
389E90.5Very high79.7Confident2 Ų254 Ų541%0.00929%0.285CS..Hα-helixtrans-73.6-54.2177-67.4179.6-166.500111.7T241 T385 L386 S396 F397 L398 L444 L447T241-E389 WeakPolarHBondContact CB-OE2 3.42Å; T241-E389 PolarHBondContact N-OE2 2.98Å; T241-E389 PolarHBondContact OG1-OE1 2.64Å; T241-E389 PolarHBondContact OG1-OE2 3.1Å; T385-E389 WeakPolarHBondContact CG2-OE1 3.3Å; T385-E389 WeakPolarHBondContact O-CG 3.24Å; T385-E389 PolarHBondContact O-N 3.01Å; L386-E389 PolarHBondContact O-N 2.8Å; E389-S396 PolarHBondContact O-OG 2.87Å; E389-F397 PolarHBondContact O-N 3.2Å; E389-L398 VanDerWaalsContact O-CG 3.31Å; E389-L398 WeakPolarHBondContact O-CG 3.44Å; E389-L398 PolarHBondContact O-N 3.24Å; E389-L398 VanDerWaalsContact O-N 3.15Å; E389-L444 HydrophobicContact CG-CD2 3.74Å; E389-L447 HydrophobicContact CB-CD2 4.01Å; E389-L447 HydrophobicContact CG-CD2 3.71Å
390Q81.6Confident79.3Confident32 Ų3253.8 Ų53.815%0.1528%0.283CS..Hα-helixtrans-129.5-4.8-161.5-49.3-169.6-32.800115.4V240 L386 L398 Y529V240-Q390 HydrophobicContact CG1-CG 4.23Å; L386-Q390 HydrophobicContact CD1-CG 4.11Å; L386-Q390 PolarHBondContact O-N 3.24Å; Q390-L398 HydrophobicContact CB-CD1 4.49Å; Q390-L398 HydrophobicContact CG-CD1 3.79Å; Q390-Y529 VanDerWaalsContact CD-O 3.28Å; Q390-Y529 PolarHBondContact NE2-O 2.8Å; Q390-Y529 PolarHBondContact OE1-O 2.78Å
391G70.2Confident78.9Confident14 Ų1450 Ų5014%0.14426%0.262CS..  trans-65.9-154.7-168.300000116.2L386 N387 S396L386-G391 PolarHBondContact O-N 2.66Å; N387-G391 WeakPolarHBondContact O-CA 3.5Å; N387-G391 PolarHBondContact O-N 3.4Å; G391-S396 WeakPolarHBondContact O-CB 3.41Å
392D59.9Low78.3Confident132 Ų13251.8 Ų51.871%0.70627%0.272SS*.SBendtrans-65.7172.3-172.8-64.9-12.1000113.4F394 T395 S396D392-F394 PolarHBondContact O-N 2.91Å; D392-T395 PolarHBondContact O-N 3.4Å; D392-S396 PolarHBondContact O-N 3.25Å
393L49.5Very low77.8Confident114 Ų11450.6 Ų50.660%0.59727%0.268SS*.THydrogen-bonded Turntrans-52.63.3-177.8-156.478.1000116I401L393-I401 VanDerWaalsContact C-CD1 3.4Å; L393-I401 HydrophobicContact CD1-CD1 4.21Å; L393-I401 HydrophobicContact CG-CD1 4.16Å; L393-I401 WeakPolarHBondContact O-CD1 3.44Å
394F48.8Very low77.4Confident156 Ų15650.3 Ų50.368%0.68427%0.267SS*.THydrogen-bonded Turntrans-118.7-19.5179.7-60.3-73.4000113.7D392D392-F394 PolarHBondContact O-N 2.91Å
395T58.8Low77.4Confident68 Ų6848.2 Ų48.242%0.41726%0.262SS..THydrogen-bonded Turntrans-124.8-17.9-17157.70000114.2N387 C388 D392 F397N387-T395 PolarHBondContact O-OG1 2.72Å; C388-T395 VanDerWaalsContact O-O 3.13Å; D392-T395 PolarHBondContact O-N 3.4Å; T395-F397 PolarHBondContact O-N 2.98Å; T395-F397 VanDerWaalsContact O-N 3.17Å
396S78.4Confident77.4Confident1 Ų150 Ų501%0.00727%0.27CS..  trans-70.9111.5-172.61730000113E389 G391 D392 L398 N399 I401E389-S396 PolarHBondContact O-OG 2.87Å; G391-S396 WeakPolarHBondContact O-CB 3.41Å; D392-S396 PolarHBondContact O-N 3.25Å; S396-L398 PolarHBondContact O-N 3.4Å; S396-L398 PolarHBondContact OG-N 3.14Å; S396-N399 PolarHBondContact O-N 3.46Å; S396-N399 PolarHBondContact OG-N 3.33Å; S396-N399 PolarHBondContact OG-ND2 3.37Å; S396-I401 PolarHBondContact O-N 2.75Å
397F86.5Confident77.4Confident5 Ų549 Ų492%0.02227%0.266CS..G310 helixtrans-59-37.4169.2-69.8-20000111.9C388 E389 T395 N399 C400 I410 L447 Q448 V451C388-F397 WeakPolarHBondContact O-CD2 3.38Å; C388-F397 WeakPolarHBondContact O-CG 3.2Å; C388-F397 PolarHBondContact O-N 3.35Å; C388-F397 WeakPolarHBondContact SG-CE2 3.43Å; C388-F397 WeakPolarHBondContact SG-CZ 3.41Å; E389-F397 PolarHBondContact O-N 3.2Å; T395-F397 PolarHBondContact O-N 2.98Å; T395-F397 VanDerWaalsContact O-N 3.17Å; F397-N399 PolarHBondContact O-N 2.94Å; F397-C400 WeakPolarHBondContact O-CA 3.39Å; F397-C400 PolarHBondContact O-N 3.28Å; F397-I410 HydrophobicContact CE2-CD1 3.97Å; F397-I410 HydrophobicContact CZ-CD1 3.93Å; F397-L447 HydrophobicContact CB-CD2 4.34Å; F397-L447 HydrophobicContact CB-CG 4.28Å; F397-L447 HydrophobicContact CD2-CD2 4.24Å; F397-L447 HydrophobicContact CD2-CG 4.32Å; F397-Q448 HydrophobicContact CD1-CB 4.44Å; F397-Q448 HydrophobicContact CD1-CG 4.03Å; F397-Q448 HydrophobicContact CD2-CB 4Å; F397-Q448 HydrophobicContact CD2-CG 4.45Å; F397-Q448 HydrophobicContact CE1-CB 4.19Å; F397-Q448 HydrophobicContact CE1-CG 3.65Å; F397-Q448 HydrophobicContact CE2-CB 3.72Å; F397-Q448 HydrophobicContact CE2-CG 4.11Å; F397-Q448 HydrophobicContact CG-CB 4.35Å; F397-Q448 HydrophobicContact CG-CG 4.42Å; F397-Q448 HydrophobicContact CZ-CB 3.81Å; F397-Q448 HydrophobicContact CZ-CG 3.68Å; F397-V451 HydrophobicContact CB-CG2 4.04Å; F397-V451 VanDerWaalsContact O-CG2 3.22Å; F397-V451 WeakPolarHBondContact O-CG2 3.29Å
398L86.4Confident77.4Confident4 Ų450.6 Ų50.62%0.02128%0.282CS..G310 helixtrans-63.9-25.5178.3-69.8-177000113.4V236 V240 E389 Q390 S396 C400 L447 V451 Y503 I513 F532V236-L398 HydrophobicContact CG1-CD2 3.6Å; V240-L398 HydrophobicContact CG1-CD1 4.12Å; V240-L398 HydrophobicContact CG2-CD1 3.97Å; V240-L398 HydrophobicContact CG2-CD2 3.77Å; V240-L398 HydrophobicContact CG2-CG 4.33Å; E389-L398 VanDerWaalsContact O-CG 3.31Å; E389-L398 WeakPolarHBondContact O-CG 3.44Å; E389-L398 PolarHBondContact O-N 3.24Å; E389-L398 VanDerWaalsContact O-N 3.15Å; Q390-L398 HydrophobicContact CB-CD1 4.49Å; Q390-L398 HydrophobicContact CG-CD1 3.79Å; S396-L398 PolarHBondContact O-N 3.4Å; S396-L398 PolarHBondContact OG-N 3.14Å; L398-C400 VanDerWaalsContact C-N 3.26Å; L398-C400 PolarHBondContact O-N 2.83Å; L398-L447 HydrophobicContact CD2-CD1 4.03Å; L398-V451 HydrophobicContact CD2-CG1 4.35Å; L398-Y503 WeakPolarHBondContact CD2-OH 3.43Å; L398-Y503 WeakPolarHBondContact O-CE1 3.29Å; L398-Y503 PolarHBondContact O-OH 3.32Å; L398-I513 HydrophobicContact CB-CD1 3.89Å; L398-F532 HydrophobicContact CD1-CB 3.75Å; L398-F532 HydrophobicContact CD1-CD1 4.44Å; L398-F532 HydrophobicContact CD1-CD2 4.13Å; L398-F532 HydrophobicContact CD1-CG 3.86Å; L398-F532 HydrophobicContact CD2-CD2 4.33Å; L398-F532 HydrophobicContact CD2-CE2 4.4Å
399N83.9Confident77.6Confident55 Ų5551.2 Ų51.229%0.29428%0.284SS..G310 helixtrans-858.1171.8-77.6-53000113.9S396 F397 I401 I513S396-N399 PolarHBondContact O-N 3.46Å; S396-N399 PolarHBondContact OG-N 3.33Å; S396-N399 PolarHBondContact OG-ND2 3.37Å; F397-N399 PolarHBondContact O-N 2.94Å; N399-I401 HydrophobicContact CB-CD1 3.76Å; N399-I401 HydrophobicContact CB-CG1 3.75Å; N399-I401 WeakPolarHBondContact O-CG1 3.27Å; N399-I401 PolarHBondContact O-N 3.44Å; N399-I513 WeakPolarHBondContact OD1-CG2 3.31Å
400C80Confident77.6Confident38 Ų3851.1 Ų51.126%0.25728%0.283SS..THydrogen-bonded Turntrans6218.6-174.6-52.30000114.6F397 L398 T403 Y503F397-C400 WeakPolarHBondContact O-CA 3.39Å; F397-C400 PolarHBondContact O-N 3.28Å; L398-C400 VanDerWaalsContact C-N 3.26Å; L398-C400 PolarHBondContact O-N 2.83Å; C400-T403 PolarHBondContact O-OG1 2.82Å; C400-Y503 WeakPolarHBondContact SG-CD1 3.29Å
401I77.5Confident78.1Confident38 Ų3851.1 Ų51.120%0.19528%0.284CS..THydrogen-bonded Turntrans-86.2135.9-175.9-52.9-175.2000108.9L393 S396 N399 T403L393-I401 VanDerWaalsContact C-CD1 3.4Å; L393-I401 HydrophobicContact CD1-CD1 4.21Å; L393-I401 HydrophobicContact CG-CD1 4.16Å; L393-I401 WeakPolarHBondContact O-CD1 3.44Å; S396-I401 PolarHBondContact O-N 2.75Å; N399-I401 HydrophobicContact CB-CD1 3.76Å; N399-I401 HydrophobicContact CB-CG1 3.75Å; N399-I401 WeakPolarHBondContact O-CG1 3.27Å; N399-I401 PolarHBondContact O-N 3.44Å; I401-T403 PolarHBondContact O-N 3.24Å
402D73.4Confident78.9Confident100 Ų10052 Ų5254%0.53529%0.288SS..THydrogen-bonded Turntrans51.722.9178.4-83.2-1.9000116.1N404 S405 Q448D402-N404 PolarHBondContact O-N 3.34Å; D402-S405 WeakPolarHBondContact CB-OG 3.43Å; D402-S405 PolarHBondContact O-N 3.24Å; D402-S405 VanDerWaalsContact O-N 3.13Å; D402-S405 PolarHBondContact O-OG 3.15Å; D402-S405 VanDerWaalsContact O-OG 3.04Å; D402-Q448 PolarHBondContact O-NE2 3.46Å
403T77.3Confident80.2Confident9 Ų946 Ų466%0.05526%0.257CS..THydrogen-bonded Turntrans-61.1-15.7175.952.50000113.8C400 I401 Q448 V451C400-T403 PolarHBondContact O-OG1 2.82Å; I401-T403 PolarHBondContact O-N 3.24Å; T403-Q448 PolarHBondContact O-NE2 3.45Å; T403-V451 HydrophobicContact CG2-CG2 3.61Å
404N80.2Confident82.2Confident64 Ų6440.6 Ų40.634%0.34223%0.228SC..THydrogen-bonded Turntrans-106.8-0.5-176.9-75.4-68.7000114.3D402 K456 V459D402-N404 PolarHBondContact O-N 3.34Å; N404-K456 HydrophobicContact CB-CD 4.07Å; N404-K456 HydrophobicContact CB-CG 4.46Å; N404-V459 WeakPolarHBondContact O-CG2 3.33Å
405S86.7Confident83.9Confident44 Ų4437.2 Ų37.231%0.30821%0.214SC..SBendtrans-105.3164.8177.964.80000110.7D402 S407 Q448D402-S405 WeakPolarHBondContact CB-OG 3.43Å; D402-S405 PolarHBondContact O-N 3.24Å; D402-S405 VanDerWaalsContact O-N 3.13Å; D402-S405 PolarHBondContact O-OG 3.15Å; D402-S405 VanDerWaalsContact O-OG 3.04Å; S405-S407 PolarHBondContact O-N 3Å; S405-Q448 PolarHBondContact O-NE2 3.5Å
406L89.8Confident84.6Confident63 Ų6339.5 Ų39.533%0.3322%0.215SC..  trans-78.5120.1174.2-165.373000107.9S408 L411 V459 Q462 Y463L406-S408 PolarHBondContact O-N 3.36Å; L406-L411 HydrophobicContact CD1-CD2 4.32Å; L406-L411 HydrophobicContact CD2-CD1 3.27Å; L406-L411 HydrophobicContact CD2-CD2 4.18Å; L406-L411 HydrophobicContact CD2-CG 4.04Å; L406-L411 HydrophobicContact CG-CD1 3.69Å; L406-L411 HydrophobicContact CG-CD2 4.28Å; L406-L411 HydrophobicContact CG-CG 4.02Å; L406-V459 HydrophobicContact CD1-CG1 4.08Å; L406-Q462 HydrophobicContact CD1-CB 4.16Å; L406-Q462 HydrophobicContact CD1-CG 3.91Å; L406-Q462 HydrophobicContact CD2-CG 3.84Å; L406-Y463 HydrophobicContact CD1-CD1 3.55Å; L406-Y463 HydrophobicContact CD1-CE1 3.29Å; L406-Y463 HydrophobicContact CD1-CE2 4.35Å; L406-Y463 HydrophobicContact CD1-CG 4.17Å; L406-Y463 HydrophobicContact CG-CE1 4.04Å
407S90Very high83.8Confident15 Ų1540 Ų4011%0.10522%0.218CC..  trans-73.3120.2176.9170.60000109.6S405 W409 I410 L411 Y463S405-S407 PolarHBondContact O-N 3Å; S407-W409 PolarHBondContact O-N 3.1Å; S407-W409 PolarHBondContact OG-N 2.6Å; S407-I410 PolarHBondContact O-N 3.25Å; S407-I410 PolarHBondContact OG-N 2.77Å; S407-L411 PolarHBondContact O-N 3.35Å; S407-L411 VanDerWaalsContact O-N 3.14Å; S407-Y463 WeakPolarHBondContact CB-OH 3.49Å; S407-Y463 PolarHBondContact N-OH 2.81Å
408S89.9Confident82Confident99 Ų9940.8 Ų40.869%0.69222%0.224SC*.Hα-helixtrans-59.6-35.8173.353.90000111.4L406 S412L406-S408 PolarHBondContact O-N 3.36Å; S408-S412 WeakPolarHBondContact O-CB 3.4Å; S408-S412 PolarHBondContact O-N 3.04Å
409W89.9Confident79.9Confident23 Ų2345.2 Ų45.29%0.08725%0.253CS..Hα-helixtrans-66.9-46.4177.1-176.9-120.3000112.1L381 E384 T385 S407 L411 S412 C413L381-W409 HydrophobicContact CD1-CH2 4.33Å; L381-W409 HydrophobicContact CD1-CZ2 3.9Å; E384-W409 HydrophobicContact CB-CD2 3.73Å; E384-W409 VanDerWaalsContact CB-CE2 3.44Å; E384-W409 HydrophobicContact CB-CE3 3.81Å; E384-W409 HydrophobicContact CB-CH2 3.39Å; E384-W409 HydrophobicContact CB-CZ2 3.29Å; E384-W409 HydrophobicContact CB-CZ3 3.65Å; E384-W409 HydrophobicContact CG-CE3 4.26Å; E384-W409 HydrophobicContact CG-CH2 3.84Å; E384-W409 HydrophobicContact CG-CZ2 4.25Å; E384-W409 HydrophobicContact CG-CZ3 3.84Å; T385-W409 PolarHBondContact OG1-NE1 2.97Å; S407-W409 PolarHBondContact O-N 3.1Å; S407-W409 PolarHBondContact OG-N 2.6Å; W409-L411 VanDerWaalsContact C-N 3.31Å; W409-L411 PolarHBondContact O-N 2.76Å; W409-S412 CarbonylContact O-C 3.44Å; W409-S412 WeakPolarHBondContact O-CA 3.5Å; W409-S412 WeakPolarHBondContact O-CB 3.48Å; W409-S412 PolarHBondContact O-N 2.86Å; W409-S412 VanDerWaalsContact O-N 3.12Å; W409-C413 PolarHBondContact O-N 3.32Å; W409-C413 PolarHBondContact O-SG 2.91Å; W409-C413 VanDerWaalsContact O-SG 3.36Å
410I91.1Very high77.8Confident0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-58.5-45176.4-67.5178.8000110.7F397 S407 C413 I414 V441 L444 M445 Y463F397-I410 HydrophobicContact CE2-CD1 3.97Å; F397-I410 HydrophobicContact CZ-CD1 3.93Å; S407-I410 PolarHBondContact O-N 3.25Å; S407-I410 PolarHBondContact OG-N 2.77Å; I410-C413 PolarHBondContact O-N 3.15Å; I410-I414 HydrophobicContact CG2-CD1 4.07Å; I410-I414 WeakPolarHBondContact O-CG1 3.31Å; I410-I414 PolarHBondContact O-N 3.32Å; I410-V441 HydrophobicContact CG2-CG1 4.4Å; I410-L444 HydrophobicContact CD1-CB 3.8Å; I410-L444 HydrophobicContact CG1-CB 3.8Å; I410-L444 HydrophobicContact CG1-CD1 4.13Å; I410-M445 HydrophobicContact CD1-CG 4.25Å; I410-M445 HydrophobicContact CG2-CG 3.75Å; I410-M445 HydrophobicContact CG2-SD 4.3Å; I410-Y463 HydrophobicContact CB-CE1 3.9Å; I410-Y463 HydrophobicContact CG2-CD1 3.91Å; I410-Y463 HydrophobicContact CG2-CE1 3.49Å; I410-Y463 VanDerWaalsContact CG2-CE1 3.49Å
411L91.6Very high75.9Confident32 Ų3254.7 Ų54.717%0.16829%0.292CS..Hα-helixtrans-61.4-44.2175.5-68.7179.1000112.2L406 S407 W409 C413 I414 H415 Y463 E466L406-L411 HydrophobicContact CD1-CD2 4.32Å; L406-L411 HydrophobicContact CD2-CD1 3.27Å; L406-L411 HydrophobicContact CD2-CD2 4.18Å; L406-L411 HydrophobicContact CD2-CG 4.04Å; L406-L411 HydrophobicContact CG-CD1 3.69Å; L406-L411 HydrophobicContact CG-CD2 4.28Å; L406-L411 HydrophobicContact CG-CG 4.02Å; S407-L411 PolarHBondContact O-N 3.35Å; S407-L411 VanDerWaalsContact O-N 3.14Å; W409-L411 VanDerWaalsContact C-N 3.31Å; W409-L411 PolarHBondContact O-N 2.76Å; L411-C413 VanDerWaalsContact C-N 3.33Å; L411-C413 PolarHBondContact O-N 2.8Å; L411-I414 HydrophobicContact CD2-CD1 4.48Å; L411-I414 WeakPolarHBondContact O-CB 3.41Å; L411-I414 PolarHBondContact O-N 3.34Å; L411-H415 VanDerWaalsContact O-CG 3.3Å; L411-H415 PolarHBondContact O-N 3.26Å; L411-H415 PolarHBondContact O-ND1 3.41Å; L411-Y463 HydrophobicContact CD2-CD1 4.16Å; L411-Y463 HydrophobicContact CD2-CE1 4.28Å; L411-Y463 HydrophobicContact CG-CE1 4.49Å; L411-E466 HydrophobicContact CD2-CB 4.4Å; L411-E466 HydrophobicContact CD2-CG 3.98Å
412S88.4Confident74.4Confident32 Ų3254.1 Ų54.122%0.22429%0.289CS..Hα-helixtrans-57.7-44.6174.5168.10000111.2S408 W409 I414 H415 R416S408-S412 WeakPolarHBondContact O-CB 3.4Å; S408-S412 PolarHBondContact O-N 3.04Å; W409-S412 CarbonylContact O-C 3.44Å; W409-S412 WeakPolarHBondContact O-CA 3.5Å; W409-S412 WeakPolarHBondContact O-CB 3.48Å; W409-S412 PolarHBondContact O-N 2.86Å; W409-S412 VanDerWaalsContact O-N 3.12Å; S412-I414 PolarHBondContact O-N 2.83Å; S412-H415 PolarHBondContact O-N 3.4Å; S412-R416 VanDerWaalsContact O-CB 3.26Å; S412-R416 WeakPolarHBondContact O-CB 3.35Å; S412-R416 WeakPolarHBondContact O-CG 3.25Å; S412-R416 PolarHBondContact O-N 3.47Å; S412-R416 PolarHBondContact OG-NE 2.71Å
413C87.3Confident72.9Confident7 Ų754.8 Ų54.85%0.04730%0.296CS..Hα-helixtrans-63.2-39176-68.10000112.6W409 I410 L411 V441W409-C413 PolarHBondContact O-N 3.32Å; W409-C413 PolarHBondContact O-SG 2.91Å; W409-C413 VanDerWaalsContact O-SG 3.36Å; I410-C413 PolarHBondContact O-N 3.15Å; L411-C413 VanDerWaalsContact C-N 3.33Å; L411-C413 PolarHBondContact O-N 2.8Å; C413-V441 HydrophobicContact CB-CG2 3.74Å
414I89.6Confident71.2Confident0 Ų062 Ų620%034%0.335CS..Hα-helixtrans-59-57.2172.2-67.5164.2000108.8I410 L411 S412 R416 N417 V441 Y463 E466 Q470 Y471I410-I414 HydrophobicContact CG2-CD1 4.07Å; I410-I414 WeakPolarHBondContact O-CG1 3.31Å; I410-I414 PolarHBondContact O-N 3.32Å; L411-I414 HydrophobicContact CD2-CD1 4.48Å; L411-I414 WeakPolarHBondContact O-CB 3.41Å; L411-I414 PolarHBondContact O-N 3.34Å; S412-I414 PolarHBondContact O-N 2.83Å; I414-R416 PolarHBondContact O-N 3.12Å; I414-N417 PolarHBondContact O-N 2.91Å; I414-V441 HydrophobicContact CD1-CG1 4.02Å; I414-V441 HydrophobicContact CG1-CB 4.48Å; I414-V441 HydrophobicContact CG1-CG1 3.46Å; I414-V441 VanDerWaalsContact CG1-CG1 3.46Å; I414-V441 HydrophobicContact CG1-CG2 4.17Å; I414-Y463 HydrophobicContact CD1-CD1 4.45Å; I414-E466 HydrophobicContact CD1-CB 4.27Å; I414-E466 HydrophobicContact CG2-CB 4.2Å; I414-Q470 HydrophobicContact CG2-CB 3.77Å; I414-Q470 HydrophobicContact CG2-CG 3.96Å; I414-Q470 VanDerWaalsContact O-CG 3.26Å; I414-Q470 WeakPolarHBondContact O-CG 3.44Å; I414-Y471 HydrophobicContact CG2-CE2 4.37Å
415H85.5Confident69.5Low84 Ų8462.4 Ų62.439%0.38934%0.336SS..Hα-helixtrans-71.4-31-171.9-60.5155.2000114.9L411 S412 N417 S418 E466L411-H415 VanDerWaalsContact O-CG 3.3Å; L411-H415 PolarHBondContact O-N 3.26Å; L411-H415 PolarHBondContact O-ND1 3.41Å; S412-H415 PolarHBondContact O-N 3.4Å; H415-N417 PolarHBondContact O-N 3.2Å; H415-S418 WeakPolarHBondContact O-CB 3.29Å; H415-S418 PolarHBondContact O-N 3.1Å; H415-E466 IonicContact CD2-OE2 3.86Å; H415-E466 IonicContact CE1-OE2 3.62Å; H415-E466 IonicContact NE2-OE2 2.78Å; H415-E466 PolarHBondContact NE2-OE2 2.85Å
416R74.2Confident67.5Low117 Ų11767.4 Ų67.444%0.44236%0.355SS..Hα-helixtrans-58.8-20.8176.5-82.4178-173-150.10.3112.6S412 I414 S418S412-R416 VanDerWaalsContact O-CB 3.26Å; S412-R416 WeakPolarHBondContact O-CB 3.35Å; S412-R416 WeakPolarHBondContact O-CG 3.25Å; S412-R416 PolarHBondContact O-N 3.47Å; S412-R416 PolarHBondContact OG-NE 2.71Å; I414-R416 PolarHBondContact O-N 3.12Å; R416-S418 PolarHBondContact O-N 2.78Å
417N60.9Low65.3Low11 Ų1167.9 Ų67.96%0.05937%0.368CS..THydrogen-bonded Turntrans-87.817.1177.6-128.416000114.2I414 H415 Q422 N437 Q470 Y471I414-N417 PolarHBondContact O-N 2.91Å; H415-N417 PolarHBondContact O-N 3.2Å; N417-Q422 PolarHBondContact OD1-NE2 3.4Å; N417-Q422 VanDerWaalsContact OD1-NE2 3.09Å; N417-N437 WeakPolarHBondContact ND2-CB 3.42Å; N417-N437 PolarHBondContact ND2-ND2 2.87Å; N417-N437 VanDerWaalsContact ND2-ND2 3.14Å; N417-N437 PolarHBondContact OD1-ND2 3.07Å; N417-Q470 VanDerWaalsContact C-NE2 3.31Å; N417-Q470 PolarHBondContact O-NE2 3.02Å; N417-Q470 VanDerWaalsContact O-NE2 3.07Å; N417-Y471 HydrophobicContact CB-CE1 4.3Å; N417-Y471 WeakPolarHBondContact CB-OH 3.32Å; N417-Y471 WeakPolarHBondContact ND2-CE1 3.38Å; N417-Y471 PolarHBondContact ND2-OH 2.95Å
418S48.3Very low63Low22 Ų2274.2 Ų74.215%0.15439%0.393CS..  trans-55.2137.9169.9-176.20000111.5H415 R416 I420 F421H415-S418 WeakPolarHBondContact O-CB 3.29Å; H415-S418 PolarHBondContact O-N 3.1Å; R416-S418 PolarHBondContact O-N 2.78Å; S418-I420 PolarHBondContact O-N 3.47Å; S418-F421 PolarHBondContact O-N 3.37Å
419P42.1Very low60.9Low97 Ų9777.1 Ų77.163%0.6339%0.389SS*.G310 helixtrans-49-27.2173.3-26.332.5000113.1F421 Q422P419-F421 PolarHBondContact O-N 2.96Å; P419-F421 VanDerWaalsContact O-N 3.17Å; P419-Q422 PolarHBondContact O-N 3.12Å; P419-Q422 VanDerWaalsContact O-N 3.14Å
420I40.2Very low58.9Low134 Ų13477.5 Ų77.569%0.68739%0.394SS*.G310 helixtrans-57.7-26177.7-59.9172.8000112.5S418 V423S418-I420 PolarHBondContact O-N 3.47Å; I420-V423 WeakPolarHBondContact O-CG2 3.45Å
421F40.4Very low57Low157 Ų15779.7 Ų79.769%0.68941%0.41SS*.G310 helixtrans-97.2-9.9179.2-71.1-77.9000114.6S418 P419S418-F421 PolarHBondContact O-N 3.37Å; P419-F421 PolarHBondContact O-N 2.96Å; P419-F421 VanDerWaalsContact O-N 3.17Å
422Q45.2Very low55.2Low26 Ų2682 Ų8212%0.12142%0.422CS..  trans-99.412.9-172.1-64.3-177.62.700114.2N417 P419 N424 L425 V430N417-Q422 PolarHBondContact OD1-NE2 3.4Å; N417-Q422 VanDerWaalsContact OD1-NE2 3.09Å; P419-Q422 PolarHBondContact O-N 3.12Å; P419-Q422 VanDerWaalsContact O-N 3.14Å; Q422-N424 PolarHBondContact O-N 2.82Å; Q422-L425 PolarHBondContact O-N 3.23Å; Q422-V430 VanDerWaalsContact OE1-CG1 3.29Å
423V42.4Very low53.7Low115 Ų11584 Ų8470%0.69743%0.43SS*.THydrogen-bonded Turntrans-58.9-10.7-165.5-173.40000115I420I420-V423 WeakPolarHBondContact O-CG2 3.45Å
424N40.9Very low52.3Low161 Ų16186.3 Ų86.386%0.86144%0.441SS*.THydrogen-bonded Turntrans-120.316.8-176.3-68.6-35.5000115.9Q422Q422-N424 PolarHBondContact O-N 2.82Å
425L45.4Very low50.9Low72 Ų7291.2 Ų91.238%0.37746%0.46SS..SBendtrans-107.3136.9178.9-74.5154.2000111.3Q422 R429 V430 N433Q422-L425 PolarHBondContact O-N 3.23Å; L425-R429 HydrophobicContact CB-CB 4.44Å; L425-R429 HydrophobicContact CD2-CB 3.95Å; L425-V430 HydrophobicContact CB-CG2 3.41Å; L425-V430 VanDerWaalsContact CB-CG2 3.41Å; L425-V430 WeakPolarHBondContact O-CG2 3.13Å; L425-N433 VanDerWaalsContact CD1-ND2 3.28Å; L425-N433 WeakPolarHBondContact CD1-ND2 3.4Å
426H45Very low49.8Very low149 Ų14989.6 Ų89.669%0.6946%0.461SS*.  trans-59.3140.8171.4-166.3-41.3000109.6F428 R429 V430H426-F428 CarbonylContact O-C 3.56Å; H426-F428 PolarHBondContact O-N 3.07Å; H426-R429 CarbonylContact O-C 3.47Å; H426-R429 WeakPolarHBondContact O-CA 3.42Å; H426-R429 WeakPolarHBondContact O-CB 3.43Å; H426-R429 PolarHBondContact O-N 3.12Å; H426-V430 PolarHBondContact O-N 3.12Å
427A43.6Very low50Low73 Ų7385.6 Ų85.660%0.60345%0.448SS*.Hα-helixtrans-43.7-39-176.600000115.5V430 S431A427-V430 WeakPolarHBondContact O-CB 3.42Å; A427-V430 PolarHBondContact O-N 3.2Å; A427-S431 PolarHBondContact O-N 3.36Å
428F41.2Very low51.3Low147 Ų14785.2 Ų85.265%0.64545%0.446SS*.Hα-helixtrans-67.6-44.7175.4-175.8-105.7000112.9H426 V430 S431 L432H426-F428 CarbonylContact O-C 3.56Å; H426-F428 PolarHBondContact O-N 3.07Å; F428-V430 VanDerWaalsContact C-N 3.31Å; F428-V430 PolarHBondContact O-N 3.19Å; F428-S431 PolarHBondContact O-N 3.11Å; F428-L432 HydrophobicContact CD1-CD1 3.91Å; F428-L432 HydrophobicContact CE1-CD1 3.41Å; F428-L432 VanDerWaalsContact CE1-CD1 3.41Å; F428-L432 HydrophobicContact CE1-CG 4.31Å; F428-L432 HydrophobicContact CZ-CD1 3.83Å; F428-L432 HydrophobicContact CZ-CG 4.37Å; F428-L432 PolarHBondContact O-N 3.36Å
429R45Very low53.3Low161 Ų16184.3 Ų84.361%0.60844%0.44SS*.Hα-helixtrans-65.8-35173.8-73.7-177140.3164.9-4.1111.7L425 H426 L432 N433L425-R429 HydrophobicContact CB-CB 4.44Å; L425-R429 HydrophobicContact CD2-CB 3.95Å; H426-R429 CarbonylContact O-C 3.47Å; H426-R429 WeakPolarHBondContact O-CA 3.42Å; H426-R429 WeakPolarHBondContact O-CB 3.43Å; H426-R429 PolarHBondContact O-N 3.12Å; R429-L432 PolarHBondContact O-N 2.86Å; R429-N433 VanDerWaalsContact O-CB 3.27Å; R429-N433 WeakPolarHBondContact O-CB 3.22Å; R429-N433 VanDerWaalsContact O-CG 3.26Å; R429-N433 PolarHBondContact O-N 3.32Å; R429-N433 PolarHBondContact O-ND2 2.89Å
430V48.8Very low55.5Low30 Ų3084.7 Ų84.718%0.18243%0.432CS..Hα-helixtrans-59-51.7172.2168.20000110.3Q422 L425 H426 A427 F428 L432 N433 L434Q422-V430 VanDerWaalsContact OE1-CG1 3.29Å; L425-V430 HydrophobicContact CB-CG2 3.41Å; L425-V430 VanDerWaalsContact CB-CG2 3.41Å; L425-V430 WeakPolarHBondContact O-CG2 3.13Å; H426-V430 PolarHBondContact O-N 3.12Å; A427-V430 WeakPolarHBondContact O-CB 3.42Å; A427-V430 PolarHBondContact O-N 3.2Å; F428-V430 VanDerWaalsContact C-N 3.31Å; F428-V430 PolarHBondContact O-N 3.19Å; V430-L432 PolarHBondContact O-N 3.21Å; V430-N433 PolarHBondContact O-N 3.05Å; V430-L434 HydrophobicContact CG1-CD1 3.64Å; V430-L434 HydrophobicContact CG1-CG 4.34Å; V430-L434 WeakPolarHBondContact O-CB 3.36Å; V430-L434 WeakPolarHBondContact O-CG 3.36Å; V430-L434 PolarHBondContact O-N 2.91Å
431S50.1Low58Low47 Ų4778.3 Ų78.333%0.32940%0.399SS..Hα-helixtrans-61.7-41.8179.9-1700000112.6A427 F428 L434 R435A427-S431 PolarHBondContact O-N 3.36Å; F428-S431 PolarHBondContact O-N 3.11Å; S431-L434 PolarHBondContact O-N 3.16Å; S431-R435 WeakPolarHBondContact O-CG 3.38Å; S431-R435 PolarHBondContact O-N 2.68Å
432L53.7Low60.6Low81 Ų8170.9 Ų70.942%0.42437%0.366SS..Hα-helixtrans-64.5-42175.7-72.6174.2000111.8F428 R429 V430 R435 A436F428-L432 HydrophobicContact CD1-CD1 3.91Å; F428-L432 HydrophobicContact CE1-CD1 3.41Å; F428-L432 VanDerWaalsContact CE1-CD1 3.41Å; F428-L432 HydrophobicContact CE1-CG 4.31Å; F428-L432 HydrophobicContact CZ-CD1 3.83Å; F428-L432 HydrophobicContact CZ-CG 4.37Å; F428-L432 PolarHBondContact O-N 3.36Å; R429-L432 PolarHBondContact O-N 2.86Å; V430-L432 PolarHBondContact O-N 3.21Å; L432-R435 PolarHBondContact O-N 3.09Å; L432-A436 WeakPolarHBondContact O-CB 3.33Å; L432-A436 PolarHBondContact O-N 3.04Å
433N58.7Low63Low73 Ų7370.1 Ų70.139%0.3936%0.363SS..Hα-helixtrans-67.1-37.6176.9-78.2-26.9000112.5L425 R429 V430 A436 N437L425-N433 VanDerWaalsContact CD1-ND2 3.28Å; L425-N433 WeakPolarHBondContact CD1-ND2 3.4Å; R429-N433 VanDerWaalsContact O-CB 3.27Å; R429-N433 WeakPolarHBondContact O-CB 3.22Å; R429-N433 VanDerWaalsContact O-CG 3.26Å; R429-N433 PolarHBondContact O-N 3.32Å; R429-N433 PolarHBondContact O-ND2 2.89Å; V430-N433 PolarHBondContact O-N 3.05Å; N433-A436 PolarHBondContact O-N 3.02Å; N433-N437 VanDerWaalsContact O-CB 3.31Å; N433-N437 WeakPolarHBondContact O-CB 3.31Å; N433-N437 PolarHBondContact O-N 3.01Å; N433-N437 VanDerWaalsContact O-N 3.08Å
434L57.2Low65.5Low55 Ų5564.8 Ų64.829%0.28833%0.33SS..Hα-helixtrans-61.8-48.7174.6-79.3163000111.1V430 S431 N437 I438V430-L434 HydrophobicContact CG1-CD1 3.64Å; V430-L434 HydrophobicContact CG1-CG 4.34Å; V430-L434 WeakPolarHBondContact O-CB 3.36Å; V430-L434 WeakPolarHBondContact O-CG 3.36Å; V430-L434 PolarHBondContact O-N 2.91Å; S431-L434 PolarHBondContact O-N 3.16Å; L434-N437 PolarHBondContact O-N 3.35Å; L434-I438 PolarHBondContact O-N 3.13Å
435R59.5Low68.1Low103 Ų10357.3 Ų57.339%0.38929%0.29SS..Hα-helixtrans-60.8-45.7176.4-73.4-175-173.1156.17.1112.3S431 L432 N437 I438 V439 E629S431-R435 WeakPolarHBondContact O-CG 3.38Å; S431-R435 PolarHBondContact O-N 2.68Å; L432-R435 PolarHBondContact O-N 3.09Å; R435-N437 PolarHBondContact O-N 3.17Å; R435-I438 VanDerWaalsContact O-CG2 3.27Å; R435-I438 WeakPolarHBondContact O-CG2 3.48Å; R435-V439 WeakPolarHBondContact O-CG2 3.45Å; R435-V439 PolarHBondContact O-N 3.25Å; R435-E629 IonicContact CZ-OE1 3.67Å; R435-E629 IonicContact CZ-OE2 2.72Å; R435-E629 IonicContact NE-OE1 2.71Å; R435-E629 PolarHBondContact NE-OE1 3.42Å; R435-E629 IonicContact NE-OE2 3.58Å; R435-E629 IonicContact NH1-OE2 3.59Å; R435-E629 IonicContact NH2-OE1 3.32Å; R435-E629 PolarHBondContact NH2-OE1 3.47Å; R435-E629 IonicContact NH2-OE2 3.16Å; R435-E629 PolarHBondContact NH2-OE2 3.07Å
436A62.3Low70.5Confident51 Ų5153.9 Ų53.942%0.42127%0.272SS..Hα-helixtrans-61.2-32.5179.100000112.2L432 N433 K440L432-A436 WeakPolarHBondContact O-CB 3.33Å; L432-A436 PolarHBondContact O-N 3.04Å; N433-A436 PolarHBondContact O-N 3.02Å; A436-K440 WeakPolarHBondContact O-CG 3.44Å
437N78.9Confident72.9Confident32 Ų3246.8 Ų46.817%0.17124%0.239CC..Hα-helixtrans-86.4-38.4-175.7-172.6-14.6000112.9N417 N433 L434 R435 V439 K440 V441 Y471N417-N437 WeakPolarHBondContact ND2-CB 3.42Å; N417-N437 PolarHBondContact ND2-ND2 2.87Å; N417-N437 VanDerWaalsContact ND2-ND2 3.14Å; N417-N437 PolarHBondContact OD1-ND2 3.07Å; N433-N437 VanDerWaalsContact O-CB 3.31Å; N433-N437 WeakPolarHBondContact O-CB 3.31Å; N433-N437 PolarHBondContact O-N 3.01Å; N433-N437 VanDerWaalsContact O-N 3.08Å; L434-N437 PolarHBondContact O-N 3.35Å; R435-N437 PolarHBondContact O-N 3.17Å; N437-V439 PolarHBondContact O-N 2.96Å; N437-K440 PolarHBondContact O-N 2.72Å; N437-K440 VanDerWaalsContact O-N 3.15Å; N437-V441 PolarHBondContact O-N 3.33Å; N437-V441 VanDerWaalsContact O-N 3.09Å; N437-Y471 PolarHBondContact OD1-OH 3.38Å
438I88.9Confident75.3Confident3 Ų343.3 Ų43.32%0.01521%0.21CC..Hα-helixtrans-58.6-40.4172.4-171.3175.7000111.5L434 R435 K440 V441 L442 L467 Y471 H475 T625L434-I438 PolarHBondContact O-N 3.13Å; R435-I438 VanDerWaalsContact O-CG2 3.27Å; R435-I438 WeakPolarHBondContact O-CG2 3.48Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.27Å; I438-V441 PolarHBondContact O-N 3.19Å; I438-L442 HydrophobicContact CD1-CD1 4.31Å; I438-L442 HydrophobicContact CG1-CD1 3.91Å; I438-L442 HydrophobicContact CG1-CG 4.09Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.33Å; I438-L442 PolarHBondContact O-N 3.16Å; I438-L467 HydrophobicContact CD1-CD2 4.19Å; I438-Y471 HydrophobicContact CB-CD1 3.71Å; I438-Y471 HydrophobicContact CB-CE1 3.55Å; I438-Y471 HydrophobicContact CB-CG 4.25Å; I438-Y471 HydrophobicContact CD1-CD1 4.17Å; I438-Y471 HydrophobicContact CD1-CD2 4.5Å; I438-Y471 HydrophobicContact CD1-CG 4Å; I438-Y471 HydrophobicContact CG1-CD1 4.14Å; I438-Y471 HydrophobicContact CG1-CD2 4.37Å; I438-Y471 HydrophobicContact CG1-CE1 4.28Å; I438-Y471 HydrophobicContact CG1-CG 4.17Å; I438-H475 HydrophobicContact CD1-CB 4.25Å; I438-H475 VanDerWaalsContact CD1-CE1 3.43Å; I438-H475 WeakPolarHBondContact CD1-CE1 3.44Å; I438-H475 VanDerWaalsContact CD1-CG 3.44Å; I438-H475 WeakPolarHBondContact CD1-ND1 3.28Å; I438-T625 HydrophobicContact CG2-CG2 4.47Å
439V90.3Very high77.9Confident4 Ų436.3 Ų36.32%0.02418%0.18CC..Hα-helixtrans-61.4-40.8178.7168.30000111.6R435 N437 L442 R443 S618 L621 T625R435-V439 WeakPolarHBondContact O-CG2 3.45Å; R435-V439 PolarHBondContact O-N 3.25Å; N437-V439 PolarHBondContact O-N 2.96Å; V439-L442 PolarHBondContact O-N 3.08Å; V439-R443 WeakPolarHBondContact O-CB 3.24Å; V439-R443 PolarHBondContact O-N 2.95Å; V439-S618 VanDerWaalsContact CG1-CA 3.49Å; V439-L621 HydrophobicContact CG1-CB 4.09Å; V439-T625 HydrophobicContact CG2-CG2 4.34Å
440K88.2Confident80.2Confident104 Ų10430.3 Ų30.345%0.45216%0.16SC..Hα-helixtrans-63.6-43.6175.5-70.5176.2-177.2-171.70112.2A436 N437 I438 R443 L444A436-K440 WeakPolarHBondContact O-CG 3.44Å; N437-K440 PolarHBondContact O-N 2.72Å; N437-K440 VanDerWaalsContact O-N 3.15Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.27Å; K440-R443 WeakPolarHBondContact O-CB 3.41Å; K440-R443 PolarHBondContact O-N 2.95Å; K440-L444 PolarHBondContact O-N 3.36Å
441V93Very high82.4Confident0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-60.9-49.4174.9170.80000110.8I410 C413 I414 N437 I438 R443 L444 M445 L467I410-V441 HydrophobicContact CG2-CG1 4.4Å; C413-V441 HydrophobicContact CB-CG2 3.74Å; I414-V441 HydrophobicContact CD1-CG1 4.02Å; I414-V441 HydrophobicContact CG1-CB 4.48Å; I414-V441 HydrophobicContact CG1-CG1 3.46Å; I414-V441 VanDerWaalsContact CG1-CG1 3.46Å; I414-V441 HydrophobicContact CG1-CG2 4.17Å; N437-V441 PolarHBondContact O-N 3.33Å; N437-V441 VanDerWaalsContact O-N 3.09Å; I438-V441 PolarHBondContact O-N 3.19Å; V441-R443 PolarHBondContact O-N 3.23Å; V441-L444 PolarHBondContact O-N 2.6Å; V441-M445 HydrophobicContact CG1-CG 4.44Å; V441-M445 HydrophobicContact CG1-SD 3.73Å; V441-M445 WeakPolarHBondContact O-CG 3.26Å; V441-M445 PolarHBondContact O-N 3.19Å; V441-L467 HydrophobicContact CG1-CD1 4.08Å
442L95.2Very high84.3Confident1 Ų126.9 Ų26.91%0.00514%0.137CC..Hα-helixtrans-60.4-36.5179.3-71.6174.2000111.4I438 V439 M445 C446 L467 T478 L479 L482 L621 T625I438-L442 HydrophobicContact CD1-CD1 4.31Å; I438-L442 HydrophobicContact CG1-CD1 3.91Å; I438-L442 HydrophobicContact CG1-CG 4.09Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.33Å; I438-L442 PolarHBondContact O-N 3.16Å; V439-L442 PolarHBondContact O-N 3.08Å; L442-M445 PolarHBondContact O-N 3.22Å; L442-C446 VanDerWaalsContact O-CB 3.31Å; L442-C446 WeakPolarHBondContact O-CB 3.41Å; L442-C446 PolarHBondContact O-N 3.44Å; L442-C446 PolarHBondContact O-SG 3.35Å; L442-L467 HydrophobicContact CD2-CD1 3.58Å; L442-L467 HydrophobicContact CG-CD1 4.26Å; L442-T478 HydrophobicContact CD1-CG2 3.9Å; L442-L479 HydrophobicContact CD2-CD2 4Å; L442-L482 HydrophobicContact CD1-CD1 4.2Å; L442-L482 HydrophobicContact CD2-CD1 3.76Å; L442-L482 HydrophobicContact CG-CD1 4.4Å; L442-L621 HydrophobicContact CB-CD1 4.15Å; L442-T625 HydrophobicContact CD1-CG2 4.03Å
443R94.9Very high86.1Confident11 Ų1123.5 Ų23.54%0.04212%0.122CC..Hα-helixtrans-60.7-49177.2-168179.3177.5161.12.8112P238 M239 V240 E251 V439 K440 V441 C446 L447 S618 L621P238-R443 PolarHBondContact O-NH2 3.18Å; P238-R443 VanDerWaalsContact O-NH2 3.15Å; M239-R443 HydrophobicContact CB-CG 4.41Å; M239-R443 WeakPolarHBondContact O-CG 3.34Å; M239-R443 PolarHBondContact O-NE 3.1Å; M239-R443 HydrophobicContact SD-CG 3.99Å; V240-R443 PolarHBondContact O-NH2 2.95Å; E251-R443 VanDerWaalsContact CD-NH1 3.33Å; E251-R443 IonicContact OE1-CZ 2.89Å; E251-R443 IonicContact OE1-NH1 3.72Å; E251-R443 PolarHBondContact OE1-NH1 2.87Å; E251-R443 IonicContact OE1-NH2 3.53Å; E251-R443 PolarHBondContact OE1-NH2 3.4Å; E251-R443 IonicContact OE2-CZ 3.7Å; E251-R443 IonicContact OE2-NH1 3.85Å; E251-R443 PolarHBondContact OE2-NH1 3.39Å; E251-R443 IonicContact OE2-NH2 2.83Å; V439-R443 WeakPolarHBondContact O-CB 3.24Å; V439-R443 PolarHBondContact O-N 2.95Å; K440-R443 WeakPolarHBondContact O-CB 3.41Å; K440-R443 PolarHBondContact O-N 2.95Å; V441-R443 PolarHBondContact O-N 3.23Å; R443-C446 PolarHBondContact O-N 3.36Å; R443-L447 WeakPolarHBondContact O-CB 3.19Å; R443-L447 PolarHBondContact O-N 3.36Å; R443-S618 PolarHBondContact NH1-OG 2.9Å; R443-L621 HydrophobicContact CB-CD1 3.6Å; R443-L621 HydrophobicContact CG-CD1 4.17Å; R443-L621 VanDerWaalsContact N-CD1 3.34Å
444L93.9Very high87.8Confident3 Ų320.1 Ų20.12%0.01610%0.104CC..Hα-helixtrans-63.3-42.1175.9-70175.1000112.2T385 C388 E389 I410 K440 V441 L447 Q448T385-L444 HydrophobicContact CG2-CD1 4.32Å; T385-L444 HydrophobicContact CG2-CD2 4.05Å; T385-L444 HydrophobicContact CG2-CG 4.44Å; C388-L444 HydrophobicContact CB-CD2 4.44Å; E389-L444 HydrophobicContact CG-CD2 3.74Å; I410-L444 HydrophobicContact CD1-CB 3.8Å; I410-L444 HydrophobicContact CG1-CB 3.8Å; I410-L444 HydrophobicContact CG1-CD1 4.13Å; K440-L444 PolarHBondContact O-N 3.36Å; V441-L444 PolarHBondContact O-N 2.6Å; L444-L447 PolarHBondContact O-N 3.05Å; L444-Q448 WeakPolarHBondContact O-CB 3.47Å; L444-Q448 PolarHBondContact O-N 2.84Å
445M95.4Very high89.5Confident3 Ų317.5 Ų17.52%0.0159%0.091CC..Hα-helixtrans-63.3-42.9176.7-70.9174.152.600112.1I410 V441 L442 S449 Y463 L467 L488I410-M445 HydrophobicContact CD1-CG 4.25Å; I410-M445 HydrophobicContact CG2-CG 3.75Å; I410-M445 HydrophobicContact CG2-SD 4.3Å; V441-M445 HydrophobicContact CG1-CG 4.44Å; V441-M445 HydrophobicContact CG1-SD 3.73Å; V441-M445 WeakPolarHBondContact O-CG 3.26Å; V441-M445 PolarHBondContact O-N 3.19Å; L442-M445 PolarHBondContact O-N 3.22Å; M445-S449 WeakPolarHBondContact O-CB 3.2Å; M445-S449 PolarHBondContact O-N 3.28Å; M445-Y463 VanDerWaalsContact CE-CB 3.49Å; M445-Y463 HydrophobicContact CE-CD2 4.22Å; M445-Y463 HydrophobicContact CE-CG 4.09Å; M445-Y463 HydrophobicContact CG-CD2 4.25Å; M445-Y463 HydrophobicContact CG-CE2 4.5Å; M445-Y463 HydrophobicContact CG-CG 4.42Å; M445-Y463 HydrophobicContact SD-CG 4.31Å; M445-L467 HydrophobicContact CE-CD1 4.26Å; M445-L467 HydrophobicContact SD-CD1 3.83Å; M445-L488 HydrophobicContact CB-CD1 4.02Å; M445-L488 HydrophobicContact CB-CD2 4.48Å; M445-L488 HydrophobicContact CE-CD1 4.24Å; M445-L488 HydrophobicContact CE-CD2 3.58Å
446C96.4Very high91Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-65.9-43176.2-67.90000111M239 L442 R443 Q448 S449 L450 L487M239-C446 HydrophobicContact SD-CB 3.95Å; L442-C446 VanDerWaalsContact O-CB 3.31Å; L442-C446 WeakPolarHBondContact O-CB 3.41Å; L442-C446 PolarHBondContact O-N 3.44Å; L442-C446 PolarHBondContact O-SG 3.35Å; R443-C446 PolarHBondContact O-N 3.36Å; C446-Q448 PolarHBondContact O-N 3.05Å; C446-S449 WeakPolarHBondContact O-CB 3.42Å; C446-S449 PolarHBondContact O-N 3.17Å; C446-L450 WeakPolarHBondContact O-CB 3.38Å; C446-L450 VanDerWaalsContact O-CG 3.25Å; C446-L450 WeakPolarHBondContact O-CG 3.17Å; C446-L450 PolarHBondContact O-N 2.99Å; C446-L487 HydrophobicContact CB-CB 4.34Å
447L95.3Very high92.4Very high0 Ų021.8 Ų21.80%010%0.099CC..Hα-helixtrans-58.2-50.4175.7-17861.3000111.2V236 M239 V240 E389 F397 L398 R443 L444 S449 L450 V451V236-L447 HydrophobicContact CG1-CD1 3.84Å; M239-L447 HydrophobicContact CB-CB 4.15Å; M239-L447 HydrophobicContact CB-CD1 4.11Å; V240-L447 HydrophobicContact CG2-CD1 4.18Å; E389-L447 HydrophobicContact CB-CD2 4.01Å; E389-L447 HydrophobicContact CG-CD2 3.71Å; F397-L447 HydrophobicContact CB-CD2 4.34Å; F397-L447 HydrophobicContact CB-CG 4.28Å; F397-L447 HydrophobicContact CD2-CD2 4.24Å; F397-L447 HydrophobicContact CD2-CG 4.32Å; L398-L447 HydrophobicContact CD2-CD1 4.03Å; R443-L447 WeakPolarHBondContact O-CB 3.19Å; R443-L447 PolarHBondContact O-N 3.36Å; L444-L447 PolarHBondContact O-N 3.05Å; L447-S449 VanDerWaalsContact C-N 3.28Å; L447-S449 PolarHBondContact O-N 3.48Å; L447-L450 PolarHBondContact O-N 2.93Å; L447-V451 HydrophobicContact CD1-CG1 4.01Å; L447-V451 WeakPolarHBondContact O-CG2 3.15Å; L447-V451 PolarHBondContact O-N 3.42Å
448Q94.8Very high93.2Very high0 Ų029 Ų290%013%0.129CC..Hα-helixtrans-58.2-41.1177.3-164.9-176.313.100111.8F397 D402 T403 S405 L444 C446 G452 L455 Y463F397-Q448 HydrophobicContact CD1-CB 4.44Å; F397-Q448 HydrophobicContact CD1-CG 4.03Å; F397-Q448 HydrophobicContact CD2-CB 4Å; F397-Q448 HydrophobicContact CD2-CG 4.45Å; F397-Q448 HydrophobicContact CE1-CB 4.19Å; F397-Q448 HydrophobicContact CE1-CG 3.65Å; F397-Q448 HydrophobicContact CE2-CB 3.72Å; F397-Q448 HydrophobicContact CE2-CG 4.11Å; F397-Q448 HydrophobicContact CG-CB 4.35Å; F397-Q448 HydrophobicContact CG-CG 4.42Å; F397-Q448 HydrophobicContact CZ-CB 3.81Å; F397-Q448 HydrophobicContact CZ-CG 3.68Å; D402-Q448 PolarHBondContact O-NE2 3.46Å; T403-Q448 PolarHBondContact O-NE2 3.45Å; S405-Q448 PolarHBondContact O-NE2 3.5Å; L444-Q448 WeakPolarHBondContact O-CB 3.47Å; L444-Q448 PolarHBondContact O-N 2.84Å; C446-Q448 PolarHBondContact O-N 3.05Å; Q448-G452 PolarHBondContact O-N 3.21Å; Q448-G452 VanDerWaalsContact O-N 3.15Å; Q448-L455 HydrophobicContact CB-CD2 4.01Å; Q448-L455 HydrophobicContact CG-CD2 3.65Å; Q448-Y463 PolarHBondContact OE1-OH 3Å
449S95Very high93.4Very high1 Ų129.6 Ų29.61%0.00713%0.133CC..Hα-helixtrans-65.1-48176.4171.80000112.1M445 C446 L447 G452 G453 G454 L487 L488 K489M445-S449 WeakPolarHBondContact O-CB 3.2Å; M445-S449 PolarHBondContact O-N 3.28Å; C446-S449 WeakPolarHBondContact O-CB 3.42Å; C446-S449 PolarHBondContact O-N 3.17Å; L447-S449 VanDerWaalsContact C-N 3.28Å; L447-S449 PolarHBondContact O-N 3.48Å; S449-G452 PolarHBondContact O-N 3.38Å; S449-G453 CarbonylContact O-C 3.46Å; S449-G453 PolarHBondContact O-N 3.24Å; S449-G454 PolarHBondContact O-N 2.9Å; S449-L487 VanDerWaalsContact CB-O 3.28Å; S449-L487 WeakPolarHBondContact CB-O 3.44Å; S449-L487 PolarHBondContact OG-O 3.21Å; S449-L488 WeakPolarHBondContact OG-CA 3.44Å; S449-K489 PolarHBondContact OG-N 3.41Å
450L94.7Very high93.6Very high35 Ų3529.8 Ų29.818%0.18313%0.133CC..Hα-helixtrans-63.9-48.8-176.8-73.6168.7000112L235 V236 M239 C446 L447 G452 G453 L487L235-L450 HydrophobicContact CB-CD1 3.85Å; L235-L450 HydrophobicContact CB-CD2 4Å; L235-L450 HydrophobicContact CD1-CD2 4.37Å; L235-L450 WeakPolarHBondContact O-CD1 3.44Å; V236-L450 HydrophobicContact CG2-CB 4.04Å; M239-L450 HydrophobicContact CG-CD1 3.91Å; C446-L450 WeakPolarHBondContact O-CB 3.38Å; C446-L450 VanDerWaalsContact O-CG 3.25Å; C446-L450 WeakPolarHBondContact O-CG 3.17Å; C446-L450 PolarHBondContact O-N 2.99Å; L447-L450 PolarHBondContact O-N 2.93Å; L450-G452 VanDerWaalsContact C-N 3.32Å; L450-G452 PolarHBondContact O-N 2.95Å; L450-G453 PolarHBondContact O-N 3.12Å; L450-L487 HydrophobicContact CD1-CD2 4.07Å; L450-L487 HydrophobicContact CD2-CD2 4.42Å
451V93.1Very high94Very high1 Ų127 Ų271%0.00612%0.123CC..Hα-helixtrans-71-28.2-179.1-59.80000112.6V236 F397 L398 T403 L447 Y503V236-V451 HydrophobicContact CG1-CG1 4.22Å; V236-V451 HydrophobicContact CG2-CG1 4.12Å; F397-V451 HydrophobicContact CB-CG2 4.04Å; F397-V451 VanDerWaalsContact O-CG2 3.22Å; F397-V451 WeakPolarHBondContact O-CG2 3.29Å; L398-V451 HydrophobicContact CD2-CG1 4.35Å; T403-V451 HydrophobicContact CG2-CG2 3.61Å; L447-V451 HydrophobicContact CD1-CG1 4.01Å; L447-V451 WeakPolarHBondContact O-CG2 3.15Å; L447-V451 PolarHBondContact O-N 3.42Å; V451-Y503 HydrophobicContact CB-CD1 3.65Å; V451-Y503 HydrophobicContact CB-CE1 3.75Å; V451-Y503 HydrophobicContact CB-CG 4.25Å; V451-Y503 HydrophobicContact CG1-CD1 3.89Å; V451-Y503 HydrophobicContact CG1-CD2 4.41Å; V451-Y503 HydrophobicContact CG1-CE1 3.59Å; V451-Y503 HydrophobicContact CG1-CE2 4.13Å; V451-Y503 HydrophobicContact CG1-CG 4.31Å
452G91.5Very high94.1Very high3 Ų330 Ų303%0.03114%0.137CC..Hα-helixtrans-85.7-6.5176.200000115.2Q448 S449 L450 G454 S500Q448-G452 PolarHBondContact O-N 3.21Å; Q448-G452 VanDerWaalsContact O-N 3.15Å; S449-G452 PolarHBondContact O-N 3.38Å; L450-G452 VanDerWaalsContact C-N 3.32Å; L450-G452 PolarHBondContact O-N 2.95Å; G452-G454 VanDerWaalsContact C-N 3.28Å; G452-G454 PolarHBondContact O-N 3.04Å; G452-S500 WeakPolarHBondContact O-CA 3.39Å; G452-S500 WeakPolarHBondContact O-CB 3.5Å
453G91.6Very high94.1Very high11 Ų1129.9 Ų29.911%0.11314%0.137CC..THydrogen-bonded Turntrans69.722.8-172.600000114.2S449 L450S449-G453 CarbonylContact O-C 3.46Å; S449-G453 PolarHBondContact O-N 3.24Å; L450-G453 PolarHBondContact O-N 3.12Å
454G93.3Very high94.1Very high1 Ų133.4 Ų33.41%0.0115%0.15CC..SBendtrans112.8150.5-173.300000112.2S449 G452 K489S449-G454 PolarHBondContact O-N 2.9Å; G452-G454 VanDerWaalsContact C-N 3.28Å; G452-G454 PolarHBondContact O-N 3.04Å; G454-K489 WeakPolarHBondContact CA-O 3.34Å
455L93Very high94.2Very high0 Ų038.3 Ų38.30%017%0.171CC..BIsolated β-bridgetrans-87.2139.3-179.8-59.3179000111Q448 R457 V459 F460 Y463 L488 K489 A490 S491Q448-L455 HydrophobicContact CB-CD2 4.01Å; Q448-L455 HydrophobicContact CG-CD2 3.65Å; L455-R457 PolarHBondContact O-N 3.02Å; L455-V459 HydrophobicContact CD1-CG1 4.49Å; L455-F460 HydrophobicContact CB-CB 4.14Å; L455-Y463 HydrophobicContact CD1-CD2 3.75Å; L455-Y463 HydrophobicContact CD1-CE2 3.88Å; L455-L488 HydrophobicContact CD1-CD1 3.73Å; L455-K489 PolarHBondContact N-O 3.15Å; L455-A490 CarbonylContact O-C 3.51Å; L455-A490 VanDerWaalsContact O-CA 3.28Å; L455-A490 WeakPolarHBondContact O-CA 3.45Å; L455-S491 PolarHBondContact O-N 3.41Å; L455-S491 PolarHBondContact O-OG 2.77Å
456K91.8Very high94.2Very high110 Ų11039.6 Ų39.648%0.47818%0.177SC..  trans-49.3138.6171-74.8-179.4-178.5172.10110.8N404 K458 V459 F460 S491N404-K456 HydrophobicContact CB-CD 4.07Å; N404-K456 HydrophobicContact CB-CG 4.46Å; K456-K458 PolarHBondContact O-N 2.94Å; K456-V459 HydrophobicContact CB-CG2 4.37Å; K456-V459 WeakPolarHBondContact O-CA 3.4Å; K456-V459 WeakPolarHBondContact O-CB 3.32Å; K456-V459 PolarHBondContact O-N 3.25Å; K456-F460 PolarHBondContact O-N 3.02Å; K456-S491 VanDerWaalsContact CA-OG 3.31Å; K456-S491 WeakPolarHBondContact CA-OG 3.43Å; K456-S491 PolarHBondContact N-OG 3.15Å
457R92.3Very high94Very high134 Ų13439.6 Ų39.651%0.50618%0.177SC..Hα-helixtrans-48.1-43.4-174.3-173.762.1-178-144-3.6113.8L455 V459 F460 D461L455-R457 PolarHBondContact O-N 3.02Å; R457-V459 PolarHBondContact O-N 2.95Å; R457-F460 PolarHBondContact O-N 2.83Å; R457-D461 WeakPolarHBondContact CD-OD2 3.25Å; R457-D461 WeakPolarHBondContact CG-OD2 3.46Å; R457-D461 IonicContact CZ-OD1 2.6Å; R457-D461 IonicContact CZ-OD2 3.52Å; R457-D461 IonicContact NE-OD1 3.72Å; R457-D461 PolarHBondContact NE-OD1 3.05Å; R457-D461 IonicContact NE-OD2 3.67Å; R457-D461 PolarHBondContact NE-OD2 3.42Å; R457-D461 IonicContact NH2-OD1 3.51Å; R457-D461 WeakPolarHBondContact O-CB 3.48Å; R457-D461 PolarHBondContact O-N 3.13Å
458K93.9Very high93.8Very high185 Ų18540.7 Ų40.780%0.80418%0.184SC*.Hα-helixtrans-59.8-42.7176.4-173.8-179.8178.3-176.80113.1K456 Q462K456-K458 PolarHBondContact O-N 2.94Å; K458-Q462 VanDerWaalsContact O-CB 3.3Å; K458-Q462 WeakPolarHBondContact O-CB 3.15Å; K458-Q462 PolarHBondContact O-N 3.38Å; K458-Q462 VanDerWaalsContact O-N 3.13Å
459V94.2Very high93.7Very high15 Ų1547 Ų479%0.09121%0.213CC..Hα-helixtrans-69.6-46.9178.4177.20000110.1N404 L406 L455 K456 R457 D461 Q462 Y463N404-V459 WeakPolarHBondContact O-CG2 3.33Å; L406-V459 HydrophobicContact CD1-CG1 4.08Å; L455-V459 HydrophobicContact CD1-CG1 4.49Å; K456-V459 HydrophobicContact CB-CG2 4.37Å; K456-V459 WeakPolarHBondContact O-CA 3.4Å; K456-V459 WeakPolarHBondContact O-CB 3.32Å; K456-V459 PolarHBondContact O-N 3.25Å; R457-V459 PolarHBondContact O-N 2.95Å; V459-D461 PolarHBondContact O-N 2.96Å; V459-Q462 PolarHBondContact O-N 2.89Å; V459-Y463 HydrophobicContact CG1-CD2 3.9Å; V459-Y463 HydrophobicContact CG1-CE2 3.53Å; V459-Y463 PolarHBondContact O-N 3.19Å
460F95Very high93.4Very high8 Ų849.3 Ų49.34%0.03522%0.224CC..Hα-helixtrans-56.8-50.9176.9179.9-92.9000112.2L455 K456 R457 Q462 Y463 R464 L488 A490L455-F460 HydrophobicContact CB-CB 4.14Å; K456-F460 PolarHBondContact O-N 3.02Å; R457-F460 PolarHBondContact O-N 2.83Å; F460-Q462 VanDerWaalsContact C-N 3.28Å; F460-Q462 PolarHBondContact O-N 2.97Å; F460-Y463 PolarHBondContact O-N 3.05Å; F460-R464 WeakPolarHBondContact O-CB 3.46Å; F460-R464 PolarHBondContact O-N 3.49Å; F460-L488 HydrophobicContact CD2-CD1 4.49Å; F460-L488 HydrophobicContact CD2-CG 4.46Å; F460-L488 HydrophobicContact CE2-CG 4.03Å; F460-A490 HydrophobicContact CB-CB 4.19Å; F460-A490 HydrophobicContact CD1-CB 4.03Å; F460-A490 HydrophobicContact CD2-CB 4.37Å; F460-A490 HydrophobicContact CG-CB 3.94Å
461D95.1Very high93Very high44 Ų4448.7 Ų48.724%0.23522%0.219CC..Hα-helixtrans-64.5-34.4-179.6-75.1-34.6000111.6R457 V459 R464 K465R457-D461 WeakPolarHBondContact CD-OD2 3.25Å; R457-D461 WeakPolarHBondContact CG-OD2 3.46Å; R457-D461 IonicContact CZ-OD1 2.6Å; R457-D461 IonicContact CZ-OD2 3.52Å; R457-D461 IonicContact NE-OD1 3.72Å; R457-D461 PolarHBondContact NE-OD1 3.05Å; R457-D461 IonicContact NE-OD2 3.67Å; R457-D461 PolarHBondContact NE-OD2 3.42Å; R457-D461 IonicContact NH2-OD1 3.51Å; R457-D461 WeakPolarHBondContact O-CB 3.48Å; R457-D461 PolarHBondContact O-N 3.13Å; V459-D461 PolarHBondContact O-N 2.96Å; D461-R464 IonicContact OD1-CZ 3.66Å; D461-R464 VanDerWaalsContact OD1-CZ 3.24Å; D461-R464 IonicContact OD1-NH1 2.76Å; D461-R464 IonicContact OD1-NH2 3.75Å; D461-R464 PolarHBondContact OD1-NH2 3.47Å; D461-K465 WeakPolarHBondContact O-CB 3.4Å; D461-K465 PolarHBondContact O-N 3.48Å
462Q95.8Very high92.8Very high63 Ų6349.8 Ų49.829%0.29423%0.23SC..Hα-helixtrans-69.1-50176.3-176.160.123.800111.8L406 K458 V459 F460 R464 K465 E466L406-Q462 HydrophobicContact CD1-CB 4.16Å; L406-Q462 HydrophobicContact CD1-CG 3.91Å; L406-Q462 HydrophobicContact CD2-CG 3.84Å; K458-Q462 VanDerWaalsContact O-CB 3.3Å; K458-Q462 WeakPolarHBondContact O-CB 3.15Å; K458-Q462 PolarHBondContact O-N 3.38Å; K458-Q462 VanDerWaalsContact O-N 3.13Å; V459-Q462 PolarHBondContact O-N 2.89Å; F460-Q462 VanDerWaalsContact C-N 3.28Å; F460-Q462 PolarHBondContact O-N 2.97Å; Q462-R464 VanDerWaalsContact C-N 3.3Å; Q462-R464 PolarHBondContact O-N 3.39Å; Q462-K465 WeakPolarHBondContact O-CB 3.49Å; Q462-K465 PolarHBondContact O-N 3.38Å; Q462-E466 PolarHBondContact NE2-OE1 3.4Å; Q462-E466 WeakPolarHBondContact O-CG 3.22Å; Q462-E466 PolarHBondContact O-N 3.45Å
463Y95.7Very high92.7Very high0 Ų057.8 Ų57.80%026%0.261CS..Hα-helixtrans-59.5-42.4175.1-71.7-40.7000112.1L406 S407 I410 L411 I414 M445 Q448 L455 V459 F460 K465 E466 L467L406-Y463 HydrophobicContact CD1-CD1 3.55Å; L406-Y463 HydrophobicContact CD1-CE1 3.29Å; L406-Y463 HydrophobicContact CD1-CE2 4.35Å; L406-Y463 HydrophobicContact CD1-CG 4.17Å; L406-Y463 HydrophobicContact CG-CE1 4.04Å; S407-Y463 WeakPolarHBondContact CB-OH 3.49Å; S407-Y463 PolarHBondContact N-OH 2.81Å; I410-Y463 HydrophobicContact CB-CE1 3.9Å; I410-Y463 HydrophobicContact CG2-CD1 3.91Å; I410-Y463 HydrophobicContact CG2-CE1 3.49Å; I410-Y463 VanDerWaalsContact CG2-CE1 3.49Å; L411-Y463 HydrophobicContact CD2-CD1 4.16Å; L411-Y463 HydrophobicContact CD2-CE1 4.28Å; L411-Y463 HydrophobicContact CG-CE1 4.49Å; I414-Y463 HydrophobicContact CD1-CD1 4.45Å; M445-Y463 VanDerWaalsContact CE-CB 3.49Å; M445-Y463 HydrophobicContact CE-CD2 4.22Å; M445-Y463 HydrophobicContact CE-CG 4.09Å; M445-Y463 HydrophobicContact CG-CD2 4.25Å; M445-Y463 HydrophobicContact CG-CE2 4.5Å; M445-Y463 HydrophobicContact CG-CG 4.42Å; M445-Y463 HydrophobicContact SD-CG 4.31Å; Q448-Y463 PolarHBondContact OE1-OH 3Å; L455-Y463 HydrophobicContact CD1-CD2 3.75Å; L455-Y463 HydrophobicContact CD1-CE2 3.88Å; V459-Y463 HydrophobicContact CG1-CD2 3.9Å; V459-Y463 HydrophobicContact CG1-CE2 3.53Å; V459-Y463 PolarHBondContact O-N 3.19Å; F460-Y463 PolarHBondContact O-N 3.05Å; Y463-K465 VanDerWaalsContact C-N 3.31Å; Y463-K465 PolarHBondContact O-N 2.95Å; Y463-E466 PolarHBondContact O-N 3.39Å; Y463-L467 WeakPolarHBondContact O-CB 3.23Å; Y463-L467 PolarHBondContact O-N 3.13Å
464R95.1Very high92.6Very high85 Ų8561.9 Ų61.932%0.32128%0.277SS..Hα-helixtrans-56.2-47.1175.8174.8177.776.5-162.8-8.2111.2F460 D461 Q462 V468 L479F460-R464 WeakPolarHBondContact O-CB 3.46Å; F460-R464 PolarHBondContact O-N 3.49Å; D461-R464 IonicContact OD1-CZ 3.66Å; D461-R464 VanDerWaalsContact OD1-CZ 3.24Å; D461-R464 IonicContact OD1-NH1 2.76Å; D461-R464 IonicContact OD1-NH2 3.75Å; D461-R464 PolarHBondContact OD1-NH2 3.47Å; Q462-R464 VanDerWaalsContact C-N 3.3Å; Q462-R464 PolarHBondContact O-N 3.39Å; R464-V468 WeakPolarHBondContact O-CB 3.47Å; R464-V468 VanDerWaalsContact O-CG2 3.32Å; R464-V468 WeakPolarHBondContact O-CG2 3.44Å; R464-V468 PolarHBondContact O-N 3.01Å; R464-L479 HydrophobicContact CB-CD1 4.06Å; R464-L479 HydrophobicContact CG-CD1 3.62Å
465K95.6Very high92.5Very high105 Ų10562.7 Ų62.746%0.45728%0.28SS..Hα-helixtrans-60.3-53.8179.6-179.5-170.3173.1-163.90111D461 Q462 Y463 L467 V468 Q469D461-K465 WeakPolarHBondContact O-CB 3.4Å; D461-K465 PolarHBondContact O-N 3.48Å; Q462-K465 WeakPolarHBondContact O-CB 3.49Å; Q462-K465 PolarHBondContact O-N 3.38Å; Y463-K465 VanDerWaalsContact C-N 3.31Å; Y463-K465 PolarHBondContact O-N 2.95Å; K465-L467 PolarHBondContact O-N 2.97Å; K465-V468 PolarHBondContact O-N 3.29Å; K465-Q469 WeakPolarHBondContact O-CB 3.42Å; K465-Q469 VanDerWaalsContact O-CG 3.26Å; K465-Q469 WeakPolarHBondContact O-CG 3.3Å; K465-Q469 PolarHBondContact O-N 2.88Å
466E94.2Very high92.5Very high30 Ų3065.5 Ų65.514%0.1430%0.295CS..Hα-helixtrans-62.9-43.1-176.8-62.1-62.4142.700111.6L411 I414 H415 Q462 Y463 Q469 Q470L411-E466 HydrophobicContact CD2-CB 4.4Å; L411-E466 HydrophobicContact CD2-CG 3.98Å; I414-E466 HydrophobicContact CD1-CB 4.27Å; I414-E466 HydrophobicContact CG2-CB 4.2Å; H415-E466 IonicContact CD2-OE2 3.86Å; H415-E466 IonicContact CE1-OE2 3.62Å; H415-E466 IonicContact NE2-OE2 2.78Å; H415-E466 PolarHBondContact NE2-OE2 2.85Å; Q462-E466 PolarHBondContact NE2-OE1 3.4Å; Q462-E466 WeakPolarHBondContact O-CG 3.22Å; Q462-E466 PolarHBondContact O-N 3.45Å; Y463-E466 PolarHBondContact O-N 3.39Å; E466-Q469 PolarHBondContact O-N 2.76Å; E466-Q470 VanDerWaalsContact O-CB 3.25Å; E466-Q470 WeakPolarHBondContact O-CB 3.35Å; E466-Q470 PolarHBondContact O-N 3.36Å
467L92.4Very high92.5Very high0 Ų064.8 Ų64.80%030%0.295CS..Hα-helixtrans-63.9-47.1179.1-172150.1000111.7I438 V441 L442 M445 Y463 K465 Q470 Y471 H475 L479I438-L467 HydrophobicContact CD1-CD2 4.19Å; V441-L467 HydrophobicContact CG1-CD1 4.08Å; L442-L467 HydrophobicContact CD2-CD1 3.58Å; L442-L467 HydrophobicContact CG-CD1 4.26Å; M445-L467 HydrophobicContact CE-CD1 4.26Å; M445-L467 HydrophobicContact SD-CD1 3.83Å; Y463-L467 WeakPolarHBondContact O-CB 3.23Å; Y463-L467 PolarHBondContact O-N 3.13Å; K465-L467 PolarHBondContact O-N 2.97Å; L467-Q470 PolarHBondContact O-N 3.44Å; L467-Y471 HydrophobicContact CG-CD2 4.05Å; L467-Y471 WeakPolarHBondContact O-CB 3.5Å; L467-Y471 WeakPolarHBondContact O-CD2 3.39Å; L467-Y471 PolarHBondContact O-N 2.88Å; L467-H475 HydrophobicContact CD2-CB 3.89Å; L467-L479 HydrophobicContact CD2-CD1 4.33Å
468V92.5Very high92.6Very high24 Ų2458.5 Ų58.515%0.14527%0.271CS..Hα-helixtrans-66.9-39.4179.5167.80000111.8R464 K465 Q470 G472 Y473 L479R464-V468 WeakPolarHBondContact O-CB 3.47Å; R464-V468 VanDerWaalsContact O-CG2 3.32Å; R464-V468 WeakPolarHBondContact O-CG2 3.44Å; R464-V468 PolarHBondContact O-N 3.01Å; K465-V468 PolarHBondContact O-N 3.29Å; V468-Q470 PolarHBondContact O-N 3.04Å; V468-G472 CarbonylContact O-C 3.53Å; V468-G472 VanDerWaalsContact O-CA 3.28Å; V468-G472 WeakPolarHBondContact O-CA 3.44Å; V468-G472 PolarHBondContact O-N 3.27Å; V468-Y473 HydrophobicContact CG1-CD2 3.96Å; V468-L479 HydrophobicContact CG2-CD1 4.11Å
469Q91.7Very high92.6Very high133 Ų13350 Ų5062%0.62123%0.234SC*.Hα-helixtrans-62.7-34.6176.3-76.1-178.3-20.600112.2K465 E466K465-Q469 WeakPolarHBondContact O-CB 3.42Å; K465-Q469 VanDerWaalsContact O-CG 3.26Å; K465-Q469 WeakPolarHBondContact O-CG 3.3Å; K465-Q469 PolarHBondContact O-N 2.88Å; E466-Q469 PolarHBondContact O-N 2.76Å
470Q89.2Confident92.6Very high49 Ų4953.8 Ų53.823%0.22925%0.254CS..Hα-helixtrans-88-40.5-174.9-173.653.946.800114.2I414 N417 E466 L467 V468I414-Q470 HydrophobicContact CG2-CB 3.77Å; I414-Q470 HydrophobicContact CG2-CG 3.96Å; I414-Q470 VanDerWaalsContact O-CG 3.26Å; I414-Q470 WeakPolarHBondContact O-CG 3.44Å; N417-Q470 VanDerWaalsContact C-NE2 3.31Å; N417-Q470 PolarHBondContact O-NE2 3.02Å; N417-Q470 VanDerWaalsContact O-NE2 3.07Å; E466-Q470 VanDerWaalsContact O-CB 3.25Å; E466-Q470 WeakPolarHBondContact O-CB 3.35Å; E466-Q470 PolarHBondContact O-N 3.36Å; L467-Q470 PolarHBondContact O-N 3.44Å; V468-Q470 PolarHBondContact O-N 3.04Å
471Y87Confident92.6Very high22 Ų2254.7 Ų54.79%0.08626%0.259CS..Hα-helixtrans-103.8-16.1-174.1-68.6-86.5000113.8I414 N417 N437 I438 L467 Q474 H475I414-Y471 HydrophobicContact CG2-CE2 4.37Å; N417-Y471 HydrophobicContact CB-CE1 4.3Å; N417-Y471 WeakPolarHBondContact CB-OH 3.32Å; N417-Y471 WeakPolarHBondContact ND2-CE1 3.38Å; N417-Y471 PolarHBondContact ND2-OH 2.95Å; N437-Y471 PolarHBondContact OD1-OH 3.38Å; I438-Y471 HydrophobicContact CB-CD1 3.71Å; I438-Y471 HydrophobicContact CB-CE1 3.55Å; I438-Y471 HydrophobicContact CB-CG 4.25Å; I438-Y471 HydrophobicContact CD1-CD1 4.17Å; I438-Y471 HydrophobicContact CD1-CD2 4.5Å; I438-Y471 HydrophobicContact CD1-CG 4Å; I438-Y471 HydrophobicContact CG1-CD1 4.14Å; I438-Y471 HydrophobicContact CG1-CD2 4.37Å; I438-Y471 HydrophobicContact CG1-CE1 4.28Å; I438-Y471 HydrophobicContact CG1-CG 4.17Å; L467-Y471 HydrophobicContact CG-CD2 4.05Å; L467-Y471 WeakPolarHBondContact O-CB 3.5Å; L467-Y471 WeakPolarHBondContact O-CD2 3.39Å; L467-Y471 PolarHBondContact O-N 2.88Å; Y471-Q474 PolarHBondContact O-NE2 2.86Å; Y471-H475 VanDerWaalsContact CB-CD2 3.5Å; Y471-H475 WeakPolarHBondContact CB-CD2 3.36Å
472G87.6Confident92.7Very high23 Ų2352.6 Ų52.624%0.23725%0.248CC..  trans110.3160.3177.800000114.4V468 Q474 H475V468-G472 CarbonylContact O-C 3.53Å; V468-G472 VanDerWaalsContact O-CA 3.28Å; V468-G472 WeakPolarHBondContact O-CA 3.44Å; V468-G472 PolarHBondContact O-N 3.27Å; G472-Q474 VanDerWaalsContact C-N 3.29Å; G472-Q474 VanDerWaalsContact CA-OE1 3.32Å; G472-Q474 PolarHBondContact O-N 3.4Å; G472-H475 PolarHBondContact O-N 3.28Å
473Y90.6Very high92.6Very high172 Ų17253.2 Ų53.268%0.67525%0.251SS*.THydrogen-bonded Turntrans-67.8-23.8-172.5-160.2-93.5000114.2V468 H475 L476V468-Y473 HydrophobicContact CG1-CD2 3.96Å; Y473-H475 PolarHBondContact O-N 3.32Å; Y473-H475 VanDerWaalsContact O-N 3.14Å; Y473-L476 HydrophobicContact CE1-CD2 3.8Å; Y473-L476 HydrophobicContact CE2-CD2 4.27Å; Y473-L476 VanDerWaalsContact O-CB 3.27Å; Y473-L476 WeakPolarHBondContact O-CB 3.45Å; Y473-L476 PolarHBondContact O-N 3.29Å; Y473-L476 WeakPolarHBondContact OH-CD2 3.46Å
474Q88.4Confident92.5Very high96 Ų9658.8 Ų58.845%0.44928%0.275SS..THydrogen-bonded Turntrans-55.8-31175.969.1-76.64.400112.4Y471 G472 L476 M477Y471-Q474 PolarHBondContact O-NE2 2.86Å; G472-Q474 VanDerWaalsContact C-N 3.29Å; G472-Q474 VanDerWaalsContact CA-OE1 3.32Å; G472-Q474 PolarHBondContact O-N 3.4Å; Q474-L476 PolarHBondContact O-N 3.31Å; Q474-M477 PolarHBondContact O-N 3.15Å
475H91Very high92.5Very high18 Ų1855.1 Ų55.18%0.08326%0.263CS..Hα-helixtrans-74-4.3178.8-65.3-57.5000114.4I438 L467 Y471 G472 Y473 M477 T478 L479I438-H475 HydrophobicContact CD1-CB 4.25Å; I438-H475 VanDerWaalsContact CD1-CE1 3.43Å; I438-H475 WeakPolarHBondContact CD1-CE1 3.44Å; I438-H475 VanDerWaalsContact CD1-CG 3.44Å; I438-H475 WeakPolarHBondContact CD1-ND1 3.28Å; L467-H475 HydrophobicContact CD2-CB 3.89Å; Y471-H475 VanDerWaalsContact CB-CD2 3.5Å; Y471-H475 WeakPolarHBondContact CB-CD2 3.36Å; G472-H475 PolarHBondContact O-N 3.28Å; Y473-H475 PolarHBondContact O-N 3.32Å; Y473-H475 VanDerWaalsContact O-N 3.14Å; H475-M477 PolarHBondContact O-N 3.02Å; H475-T478 PolarHBondContact ND1-OG1 3.06Å; H475-T478 WeakPolarHBondContact O-CB 3.37Å; H475-T478 PolarHBondContact O-N 3.24Å; H475-L479 WeakPolarHBondContact O-CG 3.21Å; H475-L479 PolarHBondContact O-N 3.09Å
476L92.4Very high92.5Very high60 Ų6051.3 Ų51.331%0.31425%0.253SS..Hα-helixtrans-59.8-36.8166.1-17463.1000111.1Y473 Q474 L479 L480Y473-L476 HydrophobicContact CE1-CD2 3.8Å; Y473-L476 HydrophobicContact CE2-CD2 4.27Å; Y473-L476 VanDerWaalsContact O-CB 3.27Å; Y473-L476 WeakPolarHBondContact O-CB 3.45Å; Y473-L476 PolarHBondContact O-N 3.29Å; Y473-L476 WeakPolarHBondContact OH-CD2 3.46Å; Q474-L476 PolarHBondContact O-N 3.31Å; L476-L479 PolarHBondContact O-N 3.41Å; L476-L480 PolarHBondContact O-N 3.45Å
477M92.3Very high92.6Very high95 Ų9549.9 Ų49.947%0.46825%0.247SC..Hα-helixtrans-69.3-40.8175.2-174.758.464.700111.5Q474 H475 L479 L480 L481 T628Q474-M477 PolarHBondContact O-N 3.15Å; H475-M477 PolarHBondContact O-N 3.02Å; M477-L479 VanDerWaalsContact C-N 3.33Å; M477-L479 PolarHBondContact O-N 3.25Å; M477-L480 HydrophobicContact CE-CD2 4.45Å; M477-L480 PolarHBondContact O-N 3.42Å; M477-L480 HydrophobicContact SD-CD2 4.01Å; M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 WeakPolarHBondContact O-CG 3.14Å; M477-L481 PolarHBondContact O-N 3.24Å; M477-T628 HydrophobicContact CB-CG2 3.78Å; M477-T628 HydrophobicContact CG-CG2 4.1Å
478T94Very high92.7Very high1 Ų150 Ų501%0.00625%0.247CC..Hα-helixtrans-55.5-48.3172-55.40000111.1L442 H475 L480 L481 L482 F624 T625 T628L442-T478 HydrophobicContact CD1-CG2 3.9Å; H475-T478 PolarHBondContact ND1-OG1 3.06Å; H475-T478 WeakPolarHBondContact O-CB 3.37Å; H475-T478 PolarHBondContact O-N 3.24Å; T478-L480 PolarHBondContact O-N 3.5Å; T478-L481 PolarHBondContact O-N 3.44Å; T478-L482 HydrophobicContact CG2-CD1 4.09Å; T478-L482 HydrophobicContact CG2-CG 4.48Å; T478-L482 VanDerWaalsContact O-CG 3.31Å; T478-L482 WeakPolarHBondContact O-CG 3.47Å; T478-L482 PolarHBondContact O-N 3.32Å; T478-F624 HydrophobicContact CG2-CB 4.22Å; T478-F624 PolarHBondContact OG1-O 2.98Å; T478-T625 HydrophobicContact CG2-CG2 3.95Å; T478-T628 VanDerWaalsContact OG1-CG2 3.27Å; T478-T628 WeakPolarHBondContact OG1-CG2 3.41Å
479L94.9Very high92.8Very high6 Ų652 Ų523%0.03125%0.254CS..Hα-helixtrans-64.2-38.9179.2-66.5174.7000112.4L442 R464 L467 V468 H475 L476 M477 L482 E483 L488L442-L479 HydrophobicContact CD2-CD2 4Å; R464-L479 HydrophobicContact CB-CD1 4.06Å; R464-L479 HydrophobicContact CG-CD1 3.62Å; L467-L479 HydrophobicContact CD2-CD1 4.33Å; V468-L479 HydrophobicContact CG2-CD1 4.11Å; H475-L479 WeakPolarHBondContact O-CG 3.21Å; H475-L479 PolarHBondContact O-N 3.09Å; L476-L479 PolarHBondContact O-N 3.41Å; M477-L479 VanDerWaalsContact C-N 3.33Å; M477-L479 PolarHBondContact O-N 3.25Å; L479-L482 PolarHBondContact O-N 3.5Å; L479-E483 WeakPolarHBondContact O-CB 3.38Å; L479-E483 PolarHBondContact O-N 2.9Å; L479-L488 HydrophobicContact CD2-CD2 3.56Å
480L94.2Very high92.8Very high96 Ų9646.6 Ų46.650%0.50323%0.232SC..Hα-helixtrans-62.3-43174.7-17867.9000111.8L476 M477 T478 E483 K484L476-L480 PolarHBondContact O-N 3.45Å; M477-L480 HydrophobicContact CE-CD2 4.45Å; M477-L480 PolarHBondContact O-N 3.42Å; M477-L480 HydrophobicContact SD-CD2 4.01Å; T478-L480 PolarHBondContact O-N 3.5Å; L480-E483 PolarHBondContact O-N 3.05Å; L480-K484 WeakPolarHBondContact O-CB 3.27Å; L480-K484 PolarHBondContact O-N 3.25Å
481L94.9Very high92.8Very high27 Ų2746.2 Ų46.214%0.14124%0.235CC..Hα-helixtrans-65.4-41.2176.8-69.2174000111.5V166 M477 T478 E483 K484 A485 F624 F627V166-L481 HydrophobicContact CG1-CD2 4.04Å; V166-L481 HydrophobicContact CG2-CD2 4.5Å; M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 WeakPolarHBondContact O-CG 3.14Å; M477-L481 PolarHBondContact O-N 3.24Å; T478-L481 PolarHBondContact O-N 3.44Å; L481-E483 VanDerWaalsContact C-N 3.34Å; L481-K484 PolarHBondContact O-N 3.17Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.24Å; L481-F624 HydrophobicContact CB-CD1 3.97Å; L481-F627 HydrophobicContact CD1-CB 3.81Å; L481-F627 HydrophobicContact CD1-CD2 4.22Å; L481-F627 HydrophobicContact CD1-CG 4.14Å
482L96.3Very high92.5Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-66.3-34.6176-68.8172.6000112.8L442 T478 L479 G486 L487 L488 L621 F624L442-L482 HydrophobicContact CD1-CD1 4.2Å; L442-L482 HydrophobicContact CD2-CD1 3.76Å; L442-L482 HydrophobicContact CG-CD1 4.4Å; T478-L482 HydrophobicContact CG2-CD1 4.09Å; T478-L482 HydrophobicContact CG2-CG 4.48Å; T478-L482 VanDerWaalsContact O-CG 3.31Å; T478-L482 WeakPolarHBondContact O-CG 3.47Å; T478-L482 PolarHBondContact O-N 3.32Å; L479-L482 PolarHBondContact O-N 3.5Å; L482-G486 PolarHBondContact O-N 3.26Å; L482-L487 HydrophobicContact CD2-CB 4.29Å; L482-L487 HydrophobicContact CD2-CD1 3.84Å; L482-L487 PolarHBondContact O-N 3.27Å; L482-L488 HydrophobicContact CB-CB 3.97Å; L482-L488 HydrophobicContact CD1-CD2 4.42Å; L482-L488 PolarHBondContact O-N 3.47Å; L482-L621 HydrophobicContact CD2-CD2 3.56Å; L482-F624 HydrophobicContact CD2-CB 4.21Å; L482-F624 HydrophobicContact CD2-CD2 3.45Å; L482-F624 VanDerWaalsContact CD2-CD2 3.45Å; L482-F624 HydrophobicContact CD2-CE2 3.96Å; L482-F624 HydrophobicContact CD2-CG 3.89Å; L482-F624 HydrophobicContact CG-CB 4.45Å; L482-F624 HydrophobicContact CG-CD2 4.49Å; L482-F624 HydrophobicContact CG-CG 4.5Å
483E94.8Very high92.1Very high76 Ų7649.5 Ų49.536%0.35528%0.275SS..Hα-helixtrans-67.1-46.2173.2-175.4170.9-169.500111L479 L480 L481 A485 G486 L488 K489L479-E483 WeakPolarHBondContact O-CB 3.38Å; L479-E483 PolarHBondContact O-N 2.9Å; L480-E483 PolarHBondContact O-N 3.05Å; L481-E483 VanDerWaalsContact C-N 3.34Å; E483-A485 VanDerWaalsContact C-N 3.31Å; E483-A485 PolarHBondContact O-N 3.18Å; E483-G486 PolarHBondContact O-N 3.41Å; E483-L488 WeakPolarHBondContact CA-O 3.45Å; E483-L488 WeakPolarHBondContact CB-O 3.38Å; E483-L488 PolarHBondContact N-O 3.24Å; E483-K489 HydrophobicContact CG-CB 4.35Å
484K94.3Very high91.6Very high117 Ų11747.5 Ų47.551%0.50928%0.283SS..Hα-helixtrans-62-38174.7-176.2168.8160.4-168.10112V166 D167 L480 L481 G486V166-K484 HydrophobicContact CG1-CD 3.72Å; V166-K484 VanDerWaalsContact CG1-CE 3.4Å; V166-K484 HydrophobicContact CG1-CG 4.12Å; V166-K484 WeakPolarHBondContact O-CE 3.35Å; D167-K484 IonicContact OD1-NZ 2.72Å; D167-K484 PolarHBondContact OD1-NZ 3.45Å; L480-K484 WeakPolarHBondContact O-CB 3.27Å; L480-K484 PolarHBondContact O-N 3.25Å; L481-K484 PolarHBondContact O-N 3.17Å; K484-G486 PolarHBondContact O-N 3.2Å
485A95.1Very high91.3Very high8 Ų847.6 Ų47.67%0.06629%0.287CS..THydrogen-bonded Turntrans-69.6-10.2173.700000114L165 V166 L481 E483 L487 F624L165-A485 HydrophobicContact CB-CB 3.74Å; L165-A485 HydrophobicContact CD1-CB 4.4Å; V166-A485 HydrophobicContact CG2-CB 4.12Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.24Å; E483-A485 VanDerWaalsContact C-N 3.31Å; E483-A485 PolarHBondContact O-N 3.18Å; A485-L487 HydrophobicContact CB-CD1 4.22Å; A485-L487 HydrophobicContact CB-CG 4.21Å; A485-L487 PolarHBondContact O-N 2.94Å; A485-F624 HydrophobicContact CB-CE1 4.34Å; A485-F624 HydrophobicContact CB-CZ 4.08Å
486G94Very high90.9Very high25 Ų2548 Ų4826%0.25829%0.293SS..THydrogen-bonded Turntrans73.24.1-177.600000115.1L482 E483 K484L482-G486 PolarHBondContact O-N 3.26Å; E483-G486 PolarHBondContact O-N 3.41Å; K484-G486 PolarHBondContact O-N 3.2Å
487L96.5Very high90.5Very high0 Ų053 Ų530%031%0.312CS..SBendtrans-74.3-42.2179.8-68.8172.6000111.5L165 L235 M239 C446 S449 L450 L482 A485 L620 L621 F624L165-L487 HydrophobicContact CD1-CD1 4.1Å; L165-L487 HydrophobicContact CD1-CG 4.37Å; L235-L487 HydrophobicContact CB-CD2 4.07Å; L235-L487 HydrophobicContact CD1-CD2 3.85Å; L235-L487 HydrophobicContact CG-CD2 4.37Å; M239-L487 HydrophobicContact CE-CD2 4.15Å; C446-L487 HydrophobicContact CB-CB 4.34Å; S449-L487 VanDerWaalsContact CB-O 3.28Å; S449-L487 WeakPolarHBondContact CB-O 3.44Å; S449-L487 PolarHBondContact OG-O 3.21Å; L450-L487 HydrophobicContact CD1-CD2 4.07Å; L450-L487 HydrophobicContact CD2-CD2 4.42Å; L482-L487 HydrophobicContact CD2-CB 4.29Å; L482-L487 HydrophobicContact CD2-CD1 3.84Å; L482-L487 PolarHBondContact O-N 3.27Å; A485-L487 HydrophobicContact CB-CD1 4.22Å; A485-L487 HydrophobicContact CB-CG 4.21Å; A485-L487 PolarHBondContact O-N 2.94Å; L487-L620 HydrophobicContact CD1-CD2 4.32Å; L487-L621 HydrophobicContact CD1-CD2 4.27Å; L487-F624 HydrophobicContact CD1-CD2 4.5Å; L487-F624 HydrophobicContact CD1-CE2 3.7Å; L487-F624 HydrophobicContact CD1-CZ 4.26Å
488L95.9Very high90.1Very high2 Ų251.5 Ų51.51%0.0132%0.315CS..SBendtrans-132.8101.9-178.6179.863.7000110.4M445 S449 L455 F460 L479 L482 E483M445-L488 HydrophobicContact CB-CD1 4.02Å; M445-L488 HydrophobicContact CB-CD2 4.48Å; M445-L488 HydrophobicContact CE-CD1 4.24Å; M445-L488 HydrophobicContact CE-CD2 3.58Å; S449-L488 WeakPolarHBondContact OG-CA 3.44Å; L455-L488 HydrophobicContact CD1-CD1 3.73Å; F460-L488 HydrophobicContact CD2-CD1 4.49Å; F460-L488 HydrophobicContact CD2-CG 4.46Å; F460-L488 HydrophobicContact CE2-CG 4.03Å; L479-L488 HydrophobicContact CD2-CD2 3.56Å; L482-L488 HydrophobicContact CB-CB 3.97Å; L482-L488 HydrophobicContact CD1-CD2 4.42Å; L482-L488 PolarHBondContact O-N 3.47Å; E483-L488 WeakPolarHBondContact CA-O 3.45Å; E483-L488 WeakPolarHBondContact CB-O 3.38Å; E483-L488 PolarHBondContact N-O 3.24Å
489K93.3Very high89.7Confident66 Ų6655.1 Ų55.129%0.28733%0.332SS..  trans-134.6153.5-17666.4-174.8179.6-174.60112.6S449 G454 L455 E483S449-K489 PolarHBondContact OG-N 3.41Å; G454-K489 WeakPolarHBondContact CA-O 3.34Å; L455-K489 PolarHBondContact N-O 3.15Å; E483-K489 HydrophobicContact CG-CB 4.35Å
490A92.7Very high89.2Confident20 Ų2057.4 Ų57.417%0.16535%0.348CS..BIsolated β-bridgetrans-71.2138.9165.100000110L455 F460L455-A490 CarbonylContact O-C 3.51Å; L455-A490 VanDerWaalsContact O-CA 3.28Å; L455-A490 WeakPolarHBondContact O-CA 3.45Å; F460-A490 HydrophobicContact CB-CB 4.19Å; F460-A490 HydrophobicContact CD1-CB 4.03Å; F460-A490 HydrophobicContact CD2-CB 4.37Å; F460-A490 HydrophobicContact CG-CB 3.94Å
491S88Confident89Confident41 Ų4161 Ų6129%0.28736%0.355SS..  trans-72133.4169.559.40000109.8L455 K456L455-S491 PolarHBondContact O-N 3.41Å; L455-S491 PolarHBondContact O-OG 2.77Å; K456-S491 VanDerWaalsContact CA-OG 3.31Å; K456-S491 WeakPolarHBondContact CA-OG 3.43Å; K456-S491 PolarHBondContact N-OG 3.15Å
492G81.2Confident88.9Confident55 Ų5562.2 Ų62.257%0.56736%0.361SS*.  trans170167.6-175.700000111.5
493G79.9Confident88.8Confident58 Ų5863.2 Ų63.260%0.59837%0.365SS*.SBendtrans89.6172.5-177.600000114.3D495 A496G493-D495 PolarHBondContact O-N 2.79Å; G493-A496 WeakPolarHBondContact O-CB 3.38Å; G493-A496 PolarHBondContact O-N 2.93Å
494P79.9Confident88.6Confident130 Ų13060.9 Ų60.984%0.84436%0.357SS*.THydrogen-bonded Turntrans-57.2-36.8-173.3-23.633.6000113.3
495D81.7Confident88.6Confident99 Ų9957 Ų5753%0.52935%0.345SS..THydrogen-bonded Turntrans-94.66-172.1-55.5-46.4000113.9G493 K497 A498 H499G493-D495 PolarHBondContact O-N 2.79Å; D495-K497 VanDerWaalsContact C-N 3.26Å; D495-K497 PolarHBondContact O-N 3.02Å; D495-K497 VanDerWaalsContact O-N 3.17Å; D495-A498 WeakPolarHBondContact O-CB 3.37Å; D495-A498 PolarHBondContact O-N 3.05Å; D495-H499 PolarHBondContact O-N 2.85Å; D495-H499 PolarHBondContact O-ND1 2.98Å
496A82.2Confident88.6Confident25 Ų2557.3 Ų57.321%0.20735%0.345CS..Hα-helixtrans-54.6-40.5-174.400000113.2G493 S500G493-A496 WeakPolarHBondContact O-CB 3.38Å; G493-A496 PolarHBondContact O-N 2.93Å; A496-S500 WeakPolarHBondContact O-CB 3.48Å; A496-S500 PolarHBondContact O-N 3.45Å
497K83.7Confident88.6Confident166 Ų16656.8 Ų56.872%0.72234%0.338SS*.Hα-helixtrans-68.5-34178.3-70.9-175.6-1791770113.1D495 S500D495-K497 VanDerWaalsContact C-N 3.26Å; D495-K497 PolarHBondContact O-N 3.02Å; D495-K497 VanDerWaalsContact O-N 3.17Å; K497-S500 PolarHBondContact O-OG 3.27Å; K497-S500 VanDerWaalsContact O-OG 3.11Å
498A85.1Confident88.5Confident64 Ų6465.2 Ų65.253%0.52937%0.37SS..Hα-helixtrans-71.1-47.7177.200000109.6D495 S500 R501 L502D495-A498 WeakPolarHBondContact O-CB 3.37Å; D495-A498 PolarHBondContact O-N 3.05Å; A498-S500 VanDerWaalsContact C-N 3.32Å; A498-S500 PolarHBondContact O-N 3.39Å; A498-R501 PolarHBondContact O-N 3.2Å; A498-R501 VanDerWaalsContact O-N 3.16Å; A498-L502 PolarHBondContact O-N 2.95Å; A498-L502 VanDerWaalsContact O-N 3.11Å
499H84.9Confident88.5Confident77 Ų7766.5 Ų66.536%0.35638%0.381SS..Hα-helixtrans-58.4-40.7176.4-67138.1000112.8D495 R501 L502D495-H499 PolarHBondContact O-N 2.85Å; D495-H499 PolarHBondContact O-ND1 2.98Å; H499-R501 PolarHBondContact O-N 2.82Å; H499-L502 WeakPolarHBondContact O-CB 3.34Å; H499-L502 PolarHBondContact O-N 2.54Å
500S85.6Confident88.6Confident54 Ų5463.6 Ų63.638%0.37837%0.368SS..Hα-helixtrans-67.6-17.7-179.175.70000114.4G452 A496 K497 A498G452-S500 WeakPolarHBondContact O-CA 3.39Å; G452-S500 WeakPolarHBondContact O-CB 3.5Å; A496-S500 WeakPolarHBondContact O-CB 3.48Å; A496-S500 PolarHBondContact O-N 3.45Å; K497-S500 PolarHBondContact O-OG 3.27Å; K497-S500 VanDerWaalsContact O-OG 3.11Å; A498-S500 VanDerWaalsContact C-N 3.32Å; A498-S500 PolarHBondContact O-N 3.39Å
501R89.1Confident88.7Confident170 Ų17068.4 Ų68.464%0.64239%0.388SS*.Hα-helixtrans-103.6-15.9178.3-65.9179.6-174.9168.7-0.3112.9A498 H499 Y503 S504 S505A498-R501 PolarHBondContact O-N 3.2Å; A498-R501 VanDerWaalsContact O-N 3.16Å; H499-R501 PolarHBondContact O-N 2.82Å; R501-Y503 PolarHBondContact O-N 2.92Å; R501-S504 PolarHBondContact O-N 3.08Å; R501-S504 PolarHBondContact O-OG 3.5Å; R501-S505 PolarHBondContact O-N 3.44Å
502L92.3Very high89Confident54 Ų5466.6 Ų66.628%0.28338%0.375SS..Hα-helixtrans-55.3-55.8-171.3-177.461.6000112A498 H499 S504 S505 I506 K557 P559A498-L502 PolarHBondContact O-N 2.95Å; A498-L502 VanDerWaalsContact O-N 3.11Å; H499-L502 WeakPolarHBondContact O-CB 3.34Å; H499-L502 PolarHBondContact O-N 2.54Å; L502-S504 PolarHBondContact O-N 2.95Å; L502-S505 WeakPolarHBondContact O-CB 3.5Å; L502-S505 PolarHBondContact O-N 2.77Å; L502-S505 VanDerWaalsContact O-N 3.07Å; L502-I506 HydrophobicContact CD1-CD1 4.09Å; L502-I506 HydrophobicContact CG-CD1 3.97Å; L502-I506 WeakPolarHBondContact O-CG1 3.1Å; L502-I506 PolarHBondContact O-N 3.2Å; L502-K557 WeakPolarHBondContact CD1-O 3.37Å; L502-P559 HydrophobicContact CD2-CG 3.93Å
503Y94Very high89.6Confident21 Ų2166.1 Ų66.18%0.08236%0.36CS..Hα-helixtrans-58.2-49.4-179.6174.5-102.6000111.4V236 L398 C400 V451 R501 S505 I506 C507V236-Y503 HydrophobicContact CB-CE2 4.31Å; V236-Y503 HydrophobicContact CG1-CE2 4.08Å; V236-Y503 HydrophobicContact CG2-CD2 4.03Å; V236-Y503 HydrophobicContact CG2-CE2 3.86Å; L398-Y503 WeakPolarHBondContact CD2-OH 3.43Å; L398-Y503 WeakPolarHBondContact O-CE1 3.29Å; L398-Y503 PolarHBondContact O-OH 3.32Å; C400-Y503 WeakPolarHBondContact SG-CD1 3.29Å; V451-Y503 HydrophobicContact CB-CD1 3.65Å; V451-Y503 HydrophobicContact CB-CE1 3.75Å; V451-Y503 HydrophobicContact CB-CG 4.25Å; V451-Y503 HydrophobicContact CG1-CD1 3.89Å; V451-Y503 HydrophobicContact CG1-CD2 4.41Å; V451-Y503 HydrophobicContact CG1-CE1 3.59Å; V451-Y503 HydrophobicContact CG1-CE2 4.13Å; V451-Y503 HydrophobicContact CG1-CG 4.31Å; R501-Y503 PolarHBondContact O-N 2.92Å; Y503-S505 PolarHBondContact O-N 3.03Å; Y503-S505 VanDerWaalsContact O-N 3.15Å; Y503-I506 PolarHBondContact O-N 3.12Å; Y503-C507 WeakPolarHBondContact CE1-SG 3.32Å; Y503-C507 PolarHBondContact O-N 2.95Å; Y503-C507 PolarHBondContact O-SG 3.36Å; Y503-C507 VanDerWaalsContact O-SG 3.32Å
504S92.5Very high90.1Very high26 Ų2664.8 Ų64.818%0.18234%0.341CS..Hα-helixtrans-57.7-32.7176.579.50000113.7R501 L502 R508R501-S504 PolarHBondContact O-N 3.08Å; R501-S504 PolarHBondContact O-OG 3.5Å; L502-S504 PolarHBondContact O-N 2.95Å; S504-R508 PolarHBondContact O-N 2.96Å; S504-R508 PolarHBondContact O-NE 3.05Å; S504-R508 PolarHBondContact OG-NH2 3.32Å; S504-R508 VanDerWaalsContact OG-NH2 3.08Å
505S93.7Very high90.3Very high37 Ų3766.9 Ų66.926%0.25934%0.339SS..Hα-helixtrans-73.8-37.7177-172.80000111.6R501 L502 Y503 A509R501-S505 PolarHBondContact O-N 3.44Å; L502-S505 WeakPolarHBondContact O-CB 3.5Å; L502-S505 PolarHBondContact O-N 2.77Å; L502-S505 VanDerWaalsContact O-N 3.07Å; Y503-S505 PolarHBondContact O-N 3.03Å; Y503-S505 VanDerWaalsContact O-N 3.15Å; S505-A509 WeakPolarHBondContact O-CB 3.48Å; S505-A509 PolarHBondContact O-N 2.98Å
506I95.5Very high90.5Very high13 Ų1371.1 Ų71.17%0.06736%0.356CS..Hα-helixtrans-67.7-45.3175.7-66168.5000109.6L502 Y503 R508 A509 F510 L512 L535 I558L502-I506 HydrophobicContact CD1-CD1 4.09Å; L502-I506 HydrophobicContact CG-CD1 3.97Å; L502-I506 WeakPolarHBondContact O-CG1 3.1Å; L502-I506 PolarHBondContact O-N 3.2Å; Y503-I506 PolarHBondContact O-N 3.12Å; I506-R508 VanDerWaalsContact C-N 3.29Å; I506-R508 PolarHBondContact O-N 2.96Å; I506-A509 PolarHBondContact O-N 3.48Å; I506-A509 VanDerWaalsContact O-N 3.12Å; I506-F510 HydrophobicContact CG2-CD2 3.93Å; I506-F510 PolarHBondContact O-N 2.76Å; I506-L512 HydrophobicContact CG2-CD1 3.92Å; I506-L535 HydrophobicContact CG2-CD1 3.85Å; I506-L535 HydrophobicContact CG2-CD2 3.83Å; I506-L535 HydrophobicContact CG2-CG 4.45Å; I506-I558 HydrophobicContact CD1-CG1 4.14Å; I506-I558 HydrophobicContact CG1-CG1 4.22Å; I506-I558 HydrophobicContact CG2-CG1 4.4Å
507C94.1Very high90.9Very high15 Ų1572.4 Ų72.410%0.10136%0.359CS..Hα-helixtrans-53.5-45.5175.6-67.30000112.3Y503 M511 L512Y503-C507 WeakPolarHBondContact CE1-SG 3.32Å; Y503-C507 PolarHBondContact O-N 2.95Å; Y503-C507 PolarHBondContact O-SG 3.36Å; Y503-C507 VanDerWaalsContact O-SG 3.32Å; C507-M511 VanDerWaalsContact O-CA 3.28Å; C507-M511 WeakPolarHBondContact O-CA 3.13Å; C507-M511 PolarHBondContact O-N 3.16Å; C507-L512 HydrophobicContact CB-CB 4.37Å; C507-L512 PolarHBondContact O-N 2.87Å; C507-L512 VanDerWaalsContact O-N 3.08Å
508R93.8Very high91.3Very high177 Ų17768.1 Ų68.167%0.66834%0.344SS*.Hα-helixtrans-68.2-41.9176.6-78.6-179.6-89.1122.7-3.2112.9S504 I506 F510S504-R508 PolarHBondContact O-N 2.96Å; S504-R508 PolarHBondContact O-NE 3.05Å; S504-R508 PolarHBondContact OG-NH2 3.32Å; S504-R508 VanDerWaalsContact OG-NH2 3.08Å; I506-R508 VanDerWaalsContact C-N 3.29Å; I506-R508 PolarHBondContact O-N 2.96Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 PolarHBondContact O-N 2.92Å
509A95.1Very high91.7Very high29 Ų2968 Ų6824%0.2433%0.332CS..Hα-helixtrans-68.6-29.5-177.900000113.3S505 I506 K557S505-A509 WeakPolarHBondContact O-CB 3.48Å; S505-A509 PolarHBondContact O-N 2.98Å; I506-A509 PolarHBondContact O-N 3.48Å; I506-A509 VanDerWaalsContact O-N 3.12Å; A509-K557 HydrophobicContact CB-CD 4.37Å
510F95.8Very high92.1Very high4 Ų468.9 Ų68.92%0.01834%0.339CS..Hα-helixtrans-118.16.8-173.7-69.9-79.5000114I506 R508 L512 L535 R538 L539 Q542 I551 N554 I558I506-F510 HydrophobicContact CG2-CD2 3.93Å; I506-F510 PolarHBondContact O-N 2.76Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 PolarHBondContact O-N 2.92Å; F510-L512 HydrophobicContact CB-CD2 3.65Å; F510-L512 HydrophobicContact CB-CG 4.02Å; F510-L512 PolarHBondContact O-N 3.5Å; F510-L535 HydrophobicContact CB-CD1 4.19Å; F510-L535 HydrophobicContact CD1-CD1 4.47Å; F510-L535 HydrophobicContact CD2-CD1 3.96Å; F510-L535 HydrophobicContact CE2-CD1 4.48Å; F510-L535 HydrophobicContact CG-CD1 3.95Å; F510-R538 HydrophobicContact CB-CG 4.06Å; F510-R538 HydrophobicContact CD1-CG 4.35Å; F510-R538 WeakPolarHBondContact O-CD 3.47Å; F510-R538 VanDerWaalsContact O-CG 3.31Å; F510-R538 WeakPolarHBondContact O-CG 3.31Å; F510-R538 PolarHBondContact O-NE 2.96Å; F510-L539 HydrophobicContact CD1-CD2 4.22Å; F510-L539 HydrophobicContact CE1-CD2 3.56Å; F510-L539 HydrophobicContact CZ-CD2 3.87Å; F510-Q542 HydrophobicContact CD1-CG 4.4Å; F510-I551 HydrophobicContact CE1-CD1 4.15Å; F510-N554 HydrophobicContact CE1-CB 4.37Å; F510-N554 HydrophobicContact CE2-CB 4.05Å; F510-N554 HydrophobicContact CZ-CB 3.69Å; F510-I558 HydrophobicContact CD2-CD1 4.31Å; F510-I558 HydrophobicContact CE2-CD1 3.53Å; F510-I558 HydrophobicContact CE2-CG1 4.05Å; F510-I558 HydrophobicContact CZ-CD1 3.72Å
511M94.4Very high92.5Very high121 Ų12171.2 Ų71.260%0.59635%0.347SS*.THydrogen-bonded Turntrans48.656.9-178.6-56.6-179.4-60.300111.3C507 I513 R538C507-M511 VanDerWaalsContact O-CA 3.28Å; C507-M511 WeakPolarHBondContact O-CA 3.13Å; C507-M511 PolarHBondContact O-N 3.16Å; M511-I513 VanDerWaalsContact C-N 3.33Å; M511-R538 PolarHBondContact O-NH2 3.27Å
512L95.1Very high92.8Very high3 Ų364.3 Ų64.32%0.01632%0.324CS..  trans-80.3-16.8-176.4-57.7-173000113.3I506 C507 F510 F532 A533 L535 R538I506-L512 HydrophobicContact CG2-CD1 3.92Å; C507-L512 HydrophobicContact CB-CB 4.37Å; C507-L512 PolarHBondContact O-N 2.87Å; C507-L512 VanDerWaalsContact O-N 3.08Å; F510-L512 HydrophobicContact CB-CD2 3.65Å; F510-L512 HydrophobicContact CB-CG 4.02Å; F510-L512 PolarHBondContact O-N 3.5Å; L512-F532 HydrophobicContact CB-CD2 4.5Å; L512-F532 HydrophobicContact CB-CE2 4.29Å; L512-F532 CarbonylContact O-C 3.51Å; L512-F532 WeakPolarHBondContact O-CA 3.35Å; L512-F532 WeakPolarHBondContact O-CD2 3.33Å; L512-A533 WeakPolarHBondContact CD2-O 3.28Å; L512-A533 PolarHBondContact O-N 2.83Å; L512-L535 HydrophobicContact CD1-CB 4.06Å; L512-L535 HydrophobicContact CD1-CD1 4.17Å; L512-L535 HydrophobicContact CD2-CB 4.31Å; L512-L535 HydrophobicContact CD2-CD1 4.07Å; L512-R538 HydrophobicContact CD2-CB 4.1Å; L512-R538 HydrophobicContact CD2-CG 4.19Å
513I93.2Very high93Very high46 Ų4668.7 Ų68.724%0.23634%0.343CS..BIsolated β-bridgetrans-116.8123.5176.9-52-65.2000108.1L398 N399 M511 G531 F532L398-I513 HydrophobicContact CB-CD1 3.89Å; N399-I513 WeakPolarHBondContact OD1-CG2 3.31Å; M511-I513 VanDerWaalsContact C-N 3.33Å; I513-G531 WeakPolarHBondContact CA-O 3.4Å; I513-F532 HydrophobicContact CD1-CB 4.5Å; I513-F532 HydrophobicContact CD1-CD2 3.8Å
514C90.6Very high93.1Very high30 Ų3069.3 Ų69.320%0.20335%0.348CS..  trans-120.1116.4178.7-60.80000107.6I517 D524 G531C514-I517 HydrophobicContact CB-CD1 4.05Å; C514-I517 HydrophobicContact CB-CG1 4.06Å; C514-I517 WeakPolarHBondContact O-CD1 3.2Å; C514-D524 PolarHBondContact SG-OD2 2.84Å; C514-D524 VanDerWaalsContact SG-OD2 3.37Å; C514-G531 PolarHBondContact N-O 3.45Å; C514-G531 WeakPolarHBondContact O-CA 3.19Å
515E84.4Confident93.3Very high173 Ų17368.1 Ų68.181%0.80834%0.339SS*.SBendtrans-78.6-32.7-176.2-64.4-179174.400112.7
516E85.6Confident93.4Very high188 Ų18866.4 Ų66.488%0.87933%0.327SS*.  trans-109.3113.7-179-64.3-176.5174.200110.5
517I89.4Confident93.5Very high52 Ų5266.2 Ų66.227%0.26733%0.326SS..  trans-136.4134-177.9-61.8168.7000110.1C514 E519 S526 S530C514-I517 HydrophobicContact CB-CD1 4.05Å; C514-I517 HydrophobicContact CB-CG1 4.06Å; C514-I517 WeakPolarHBondContact O-CD1 3.2Å; I517-E519 HydrophobicContact CG2-CG 4.31Å; I517-S526 WeakPolarHBondContact CD1-OG 3.42Å; I517-S530 VanDerWaalsContact CD1-C 3.49Å
518D93.3Very high93.6Very high76 Ų7665.5 Ų65.541%0.40632%0.321SS..  trans-92106.9162.4-175.7-10.9000108.8I520 N521 P522D518-I520 VanDerWaalsContact C-N 3.27Å; D518-I520 PolarHBondContact O-N 3.33Å; D518-I520 WeakPolarHBondContact OD1-CA 3.36Å; D518-I520 WeakPolarHBondContact OD1-CB 3.48Å; D518-I520 PolarHBondContact OD1-N 3.1Å; D518-N521 VanDerWaalsContact CG-N 3.33Å; D518-N521 CarbonylContact O-C 3.59Å; D518-N521 PolarHBondContact OD1-N 2.93Å; D518-N521 WeakPolarHBondContact OD2-CB 3.34Å; D518-N521 PolarHBondContact OD2-ND2 2.85Å; D518-N521 VanDerWaalsContact OD2-ND2 3.16Å; D518-P522 WeakPolarHBondContact O-CA 3.46Å
519E93.1Very high93.8Very high62 Ų6257.1 Ų57.129%0.2929%0.289SS..SBendtrans-75.4-18.3179-60.2178160.100113.1N299 S301 I517 S530N299-E519 HydrophobicContact CB-CB 4.07Å; S301-E519 WeakPolarHBondContact CB-OE2 3.49Å; S301-E519 WeakPolarHBondContact OG-CB 3.33Å; S301-E519 PolarHBondContact OG-OE2 2.75Å; I517-E519 HydrophobicContact CG2-CG 4.31Å; E519-S530 WeakPolarHBondContact OE1-CB 3.45Å; E519-S530 PolarHBondContact OE1-OG 2.83Å
520I93.2Very high93.7Very high96 Ų9657.4 Ų57.449%0.49229%0.289SS..SBendtrans-86.3-42.9-179.5-58177000109.8D518D518-I520 VanDerWaalsContact C-N 3.27Å; D518-I520 PolarHBondContact O-N 3.33Å; D518-I520 WeakPolarHBondContact OD1-CA 3.36Å; D518-I520 WeakPolarHBondContact OD1-CB 3.48Å; D518-I520 PolarHBondContact OD1-N 3.1Å
521N94.1Very high93.6Very high103 Ų10357.8 Ų57.855%0.55130%0.295SS*.SBendtrans-125.876.3176.1-45.1-80.6000110.1D518D518-N521 VanDerWaalsContact CG-N 3.33Å; D518-N521 CarbonylContact O-C 3.59Å; D518-N521 PolarHBondContact OD1-N 2.93Å; D518-N521 WeakPolarHBondContact OD2-CB 3.34Å; D518-N521 PolarHBondContact OD2-ND2 2.85Å; D518-N521 VanDerWaalsContact OD2-ND2 3.16Å
522P96.1Very high93.6Very high24 Ų2452.1 Ų52.116%0.15627%0.267CS..  trans-68.2138-172.827.1-35.2000113D518 Y527 F598D518-P522 WeakPolarHBondContact O-CA 3.46Å; P522-Y527 VanDerWaalsContact CB-CB 3.45Å; P522-Y527 HydrophobicContact CB-CD1 3.78Å; P522-Y527 HydrophobicContact CB-CD2 4.01Å; P522-Y527 HydrophobicContact CB-CG 3.46Å; P522-Y527 VanDerWaalsContact CB-CG 3.46Å; P522-Y527 HydrophobicContact CG-CD1 4.13Å; P522-Y527 HydrophobicContact CG-CD2 3.9Å; P522-Y527 HydrophobicContact CG-CE1 4.47Å; P522-Y527 HydrophobicContact CG-CE2 4.28Å; P522-Y527 HydrophobicContact CG-CG 3.83Å; P522-F598 HydrophobicContact CB-CE2 4.11Å; P522-F598 HydrophobicContact CB-CZ 4.36Å; P522-F598 HydrophobicContact CG-CD2 4.36Å; P522-F598 HydrophobicContact CG-CE2 3.88Å; P522-F598 VanDerWaalsContact O-CE2 3.25Å; P522-F598 WeakPolarHBondContact O-CE2 3.29Å; P522-F598 VanDerWaalsContact O-CZ 3.3Å; P522-F598 WeakPolarHBondContact O-CZ 3.48Å
523E95.3Very high93.7Very high146 Ų14652 Ų5268%0.68227%0.266SS*.SBendtrans-106.2-15.7172.9-68-57.3149.900113.1K602E523-K602 IonicContact OE1-NZ 3.95Å; E523-K602 IonicContact OE2-NZ 3.77Å; E523-K602 PolarHBondContact OE2-NZ 3.36Å
524D96.2Very high93.9Very high35 Ų3549.8 Ų49.819%0.18726%0.255CS..SBendtrans-131.8152.9-179.7-175.953.5000111.6C514 S526 Y527 R538C514-D524 PolarHBondContact SG-OD2 2.84Å; C514-D524 VanDerWaalsContact SG-OD2 3.37Å; D524-S526 PolarHBondContact O-N 3.05Å; D524-S526 VanDerWaalsContact O-N 3.11Å; D524-S526 WeakPolarHBondContact OD2-CB 3.32Å; D524-S526 PolarHBondContact OD2-N 3.31Å; D524-S526 VanDerWaalsContact OD2-N 3.12Å; D524-S526 PolarHBondContact OD2-OG 2.89Å; D524-Y527 VanDerWaalsContact O-CD1 3.29Å; D524-Y527 WeakPolarHBondContact O-CD1 3.4Å; D524-Y527 PolarHBondContact O-N 2.61Å; D524-R538 VanDerWaalsContact CG-NH2 3.3Å; D524-R538 IonicContact OD1-CZ 3.84Å; D524-R538 VanDerWaalsContact OD1-CZ 3.29Å; D524-R538 IonicContact OD1-NH1 3.84Å; D524-R538 PolarHBondContact OD1-NH1 3.46Å; D524-R538 IonicContact OD1-NH2 3.35Å; D524-R538 PolarHBondContact OD1-NH2 2.82Å; D524-R538 IonicContact OD2-CZ 3.68Å; D524-R538 IonicContact OD2-NH1 3.4Å; D524-R538 IonicContact OD2-NH2 3.86Å; D524-R538 PolarHBondContact OD2-NH2 3.12Å
525I97.2Very high94.3Very high1 Ų148.7 Ų48.71%0.00525%0.247CC..G310 helixtrans-61.1-17.1177.952170000114.1Y527 V528 A533 V537 R538 A595 F598 L599I525-Y527 PolarHBondContact O-N 3.4Å; I525-Y527 VanDerWaalsContact O-N 3.12Å; I525-V528 WeakPolarHBondContact O-CG2 3.37Å; I525-A533 HydrophobicContact CD1-CB 3.98Å; I525-A533 HydrophobicContact CG1-CB 3.85Å; I525-V537 HydrophobicContact CB-CG1 4.44Å; I525-V537 HydrophobicContact CD1-CB 4.05Å; I525-V537 HydrophobicContact CD1-CG1 3.76Å; I525-V537 HydrophobicContact CG2-CG1 4.08Å; I525-R538 HydrophobicContact CD1-CB 4.17Å; I525-A595 HydrophobicContact CB-CB 4.13Å; I525-A595 HydrophobicContact CG2-CB 4.17Å; I525-F598 HydrophobicContact CG2-CD1 3.71Å; I525-F598 HydrophobicContact CG2-CE1 4.25Å; I525-L599 HydrophobicContact CG2-CD1 4.25Å; I525-L599 HydrophobicContact CG2-CD2 3.51Å; I525-L599 HydrophobicContact CG2-CG 3.55Å
526S96.6Very high95Very high1 Ų140.5 Ų40.51%0.00721%0.209CC..G310 helixtrans-60.6-16.7177.4630000114.3I517 D524 V528 Y529 S530 G531I517-S526 WeakPolarHBondContact CD1-OG 3.42Å; D524-S526 PolarHBondContact O-N 3.05Å; D524-S526 VanDerWaalsContact O-N 3.11Å; D524-S526 WeakPolarHBondContact OD2-CB 3.32Å; D524-S526 PolarHBondContact OD2-N 3.31Å; D524-S526 VanDerWaalsContact OD2-N 3.12Å; D524-S526 PolarHBondContact OD2-OG 2.89Å; S526-V528 PolarHBondContact O-N 3.46Å; S526-Y529 CarbonylContact O-C 3.59Å; S526-Y529 PolarHBondContact O-N 3.44Å; S526-Y529 VanDerWaalsContact O-N 3.12Å; S526-S530 PolarHBondContact O-N 3.16Å; S526-G531 PolarHBondContact O-N 3.08Å
527Y97Very high95.6Very high9 Ų931.5 Ų31.54%0.03517%0.167CC..G310 helixtrans-58.9-28.9-179.286.7-82.7000113.8D297 N299 P522 D524 I525 Y529 S530 F598D297-Y527 WeakPolarHBondContact O-CE2 3.44Å; D297-Y527 PolarHBondContact O-OH 2.92Å; N299-Y527 HydrophobicContact CB-CD2 4.1Å; N299-Y527 PolarHBondContact ND2-O 2.93Å; P522-Y527 VanDerWaalsContact CB-CB 3.45Å; P522-Y527 HydrophobicContact CB-CD1 3.78Å; P522-Y527 HydrophobicContact CB-CD2 4.01Å; P522-Y527 HydrophobicContact CB-CG 3.46Å; P522-Y527 VanDerWaalsContact CB-CG 3.46Å; P522-Y527 HydrophobicContact CG-CD1 4.13Å; P522-Y527 HydrophobicContact CG-CD2 3.9Å; P522-Y527 HydrophobicContact CG-CE1 4.47Å; P522-Y527 HydrophobicContact CG-CE2 4.28Å; P522-Y527 HydrophobicContact CG-CG 3.83Å; D524-Y527 VanDerWaalsContact O-CD1 3.29Å; D524-Y527 WeakPolarHBondContact O-CD1 3.4Å; D524-Y527 PolarHBondContact O-N 2.61Å; I525-Y527 PolarHBondContact O-N 3.4Å; I525-Y527 VanDerWaalsContact O-N 3.12Å; Y527-Y529 PolarHBondContact O-N 3.45Å; Y527-S530 PolarHBondContact O-N 3.37Å; Y527-F598 HydrophobicContact CD1-CG 4.46Å; Y527-F598 HydrophobicContact CE1-CB 3.8Å; Y527-F598 HydrophobicContact CE1-CD1 4.24Å; Y527-F598 AromaticContact CE1-CD2 3.94Å; Y527-F598 HydrophobicContact CE1-CD2 3.94Å; Y527-F598 AromaticContact CE1-CG 3.73Å; Y527-F598 HydrophobicContact CE1-CG 3.73Å
528V97.2Very high96Very high0 Ų029.3 Ų29.30%016%0.155CC..G310 helixtrans-69.6-13.6-179.1-56.60000113.3L243 S244 I525 S526 P534 A591 A595L243-V528 PolarHBondContact N-O 3.48Å; S244-V528 PolarHBondContact N-O 3.44Å; I525-V528 WeakPolarHBondContact O-CG2 3.37Å; S526-V528 PolarHBondContact O-N 3.46Å; V528-P534 HydrophobicContact CG2-CG 4.42Å; V528-A591 HydrophobicContact CB-CB 4.11Å; V528-A591 HydrophobicContact CG2-CB 4.06Å; V528-A595 HydrophobicContact CG1-CB 4.02Å; V528-A595 HydrophobicContact CG2-CB 4.12Å
529Y96.1Very high96.2Very high0 Ų025.7 Ų25.70%014%0.136CC..G310 helixtrans-131.720.5175.2-69.9-77.7000111.8T237 V240 T241 Q242 Q390 S526 Y527 G531 F532 P534 T589 A591T237-Y529 HydrophobicContact CG2-CE2 3.95Å; T237-Y529 VanDerWaalsContact CG2-OH 3.31Å; T237-Y529 WeakPolarHBondContact CG2-OH 3.32Å; T237-Y529 PolarHBondContact O-OH 3.05Å; V240-Y529 HydrophobicContact CB-CD1 4.03Å; V240-Y529 HydrophobicContact CB-CE1 3.92Å; V240-Y529 HydrophobicContact CG1-CD1 3.54Å; V240-Y529 HydrophobicContact CG1-CE1 3.94Å; V240-Y529 HydrophobicContact CG1-CG 4.35Å; V240-Y529 WeakPolarHBondContact O-CE1 3.29Å; T241-Y529 VanDerWaalsContact O-CD1 3.24Å; T241-Y529 WeakPolarHBondContact O-CD1 3.43Å; Q242-Y529 HydrophobicContact CB-CE1 4.32Å; Q242-Y529 HydrophobicContact CG-CE1 3.94Å; Q390-Y529 VanDerWaalsContact CD-O 3.28Å; Q390-Y529 PolarHBondContact NE2-O 2.8Å; Q390-Y529 PolarHBondContact OE1-O 2.78Å; S526-Y529 CarbonylContact O-C 3.59Å; S526-Y529 PolarHBondContact O-N 3.44Å; S526-Y529 VanDerWaalsContact O-N 3.12Å; Y527-Y529 PolarHBondContact O-N 3.45Å; Y529-G531 PolarHBondContact O-N 3.07Å; Y529-F532 WeakPolarHBondContact CB-O 3.49Å; Y529-F532 HydrophobicContact CD2-CD1 4.02Å; Y529-F532 HydrophobicContact CG-CD1 4.11Å; Y529-P534 HydrophobicContact CD2-CG 3.81Å; Y529-P534 HydrophobicContact CE2-CG 3.55Å; Y529-T589 PolarHBondContact OH-OG1 3.04Å; Y529-A591 HydrophobicContact CD2-CB 4.44Å; Y529-A591 HydrophobicContact CE1-CB 4.35Å; Y529-A591 HydrophobicContact CE2-CB 3.62Å
530S94.2Very high96.4Very high35 Ų3522.7 Ų22.725%0.24512%0.122CC..THydrogen-bonded Turntrans48.733.3175.5-61.60000115.5L243 N299 I517 E519 S526 Y527L243-S530 VanDerWaalsContact CD1-OG 3.32Å; L243-S530 WeakPolarHBondContact CD1-OG 3.21Å; N299-S530 PolarHBondContact ND2-OG 3.49Å; I517-S530 VanDerWaalsContact CD1-C 3.49Å; E519-S530 WeakPolarHBondContact OE1-CB 3.45Å; E519-S530 PolarHBondContact OE1-OG 2.83Å; S526-S530 PolarHBondContact O-N 3.16Å; Y527-S530 PolarHBondContact O-N 3.37Å
531G92.9Very high96.5Very high13 Ų1320.5 Ų20.513%0.13411%0.11CC..THydrogen-bonded Turntrans160-35.5-175.900000113.2I513 C514 S526 Y529I513-G531 WeakPolarHBondContact CA-O 3.4Å; C514-G531 PolarHBondContact N-O 3.45Å; C514-G531 WeakPolarHBondContact O-CA 3.19Å; S526-G531 PolarHBondContact O-N 3.08Å; Y529-G531 PolarHBondContact O-N 3.07Å
532F95.5Very high96.6Very high2 Ų217.3 Ų17.31%0.0099%0.091CC..BIsolated β-bridgetrans-111.8119.7-167.3172.9-108.2000112.3V236 T237 V240 L398 L512 I513 Y529V236-F532 HydrophobicContact CG1-CE2 4.38Å; V236-F532 HydrophobicContact CG1-CZ 3.94Å; T237-F532 VanDerWaalsContact OG1-CE1 3.26Å; T237-F532 WeakPolarHBondContact OG1-CE1 3.33Å; V240-F532 HydrophobicContact CG2-CD1 4.27Å; V240-F532 HydrophobicContact CG2-CE1 4.24Å; L398-F532 HydrophobicContact CD1-CB 3.75Å; L398-F532 HydrophobicContact CD1-CD1 4.44Å; L398-F532 HydrophobicContact CD1-CD2 4.13Å; L398-F532 HydrophobicContact CD1-CG 3.86Å; L398-F532 HydrophobicContact CD2-CD2 4.33Å; L398-F532 HydrophobicContact CD2-CE2 4.4Å; L512-F532 HydrophobicContact CB-CD2 4.5Å; L512-F532 HydrophobicContact CB-CE2 4.29Å; L512-F532 CarbonylContact O-C 3.51Å; L512-F532 WeakPolarHBondContact O-CA 3.35Å; L512-F532 WeakPolarHBondContact O-CD2 3.33Å; I513-F532 HydrophobicContact CD1-CB 4.5Å; I513-F532 HydrophobicContact CD1-CD2 3.8Å; Y529-F532 WeakPolarHBondContact CB-O 3.49Å; Y529-F532 HydrophobicContact CD2-CD1 4.02Å; Y529-F532 HydrophobicContact CG-CD1 4.11Å
533A96.9Very high96.5Very high0 Ų016.8 Ų16.80%09%0.087CC..  trans-87.6122.8173.100000110.4L512 I525 L535L512-A533 WeakPolarHBondContact CD2-O 3.28Å; L512-A533 PolarHBondContact O-N 2.83Å; I525-A533 HydrophobicContact CD1-CB 3.98Å; I525-A533 HydrophobicContact CG1-CB 3.85Å; A533-L535 PolarHBondContact O-N 3.07Å
534P98.1Very high96.2Very high0 Ų010.9 Ų10.90%06%0.062CC..  trans-58.4131175.9-28.438.7000112T237 V528 Y529 I536 V537 R538 E592T237-P534 HydrophobicContact CG2-CB 3.91Å; T237-P534 HydrophobicContact CG2-CG 4.07Å; V528-P534 HydrophobicContact CG2-CG 4.42Å; Y529-P534 HydrophobicContact CD2-CG 3.81Å; Y529-P534 HydrophobicContact CE2-CG 3.55Å; P534-I536 VanDerWaalsContact C-N 3.32Å; P534-I536 PolarHBondContact O-N 3.35Å; P534-V537 HydrophobicContact CB-CB 4.14Å; P534-V537 HydrophobicContact CB-CG2 3.88Å; P534-V537 HydrophobicContact CG-CG2 4.38Å; P534-V537 PolarHBondContact O-N 3.34Å; P534-R538 PolarHBondContact O-N 3.48Å; P534-E592 HydrophobicContact CB-CG 3.84Å; P534-E592 HydrophobicContact CG-CG 4.06Å
535L98.2Very high95.8Very high7 Ų716 Ų164%0.0378%0.082CC..Hα-helixtrans-60.7-43.7-174.417361.2000111V233 D234 I506 F510 L512 A533 V537 R538 L539 I558V233-L535 HydrophobicContact CG1-CD2 4.26Å; D234-L535 HydrophobicContact CB-CB 4.03Å; D234-L535 HydrophobicContact CB-CD2 4.21Å; D234-L535 WeakPolarHBondContact OD2-CB 3.09Å; D234-L535 PolarHBondContact OD2-N 3.19Å; D234-L535 VanDerWaalsContact OD2-N 3.14Å; I506-L535 HydrophobicContact CG2-CD1 3.85Å; I506-L535 HydrophobicContact CG2-CD2 3.83Å; I506-L535 HydrophobicContact CG2-CG 4.45Å; F510-L535 HydrophobicContact CB-CD1 4.19Å; F510-L535 HydrophobicContact CD1-CD1 4.47Å; F510-L535 HydrophobicContact CD2-CD1 3.96Å; F510-L535 HydrophobicContact CE2-CD1 4.48Å; F510-L535 HydrophobicContact CG-CD1 3.95Å; L512-L535 HydrophobicContact CD1-CB 4.06Å; L512-L535 HydrophobicContact CD1-CD1 4.17Å; L512-L535 HydrophobicContact CD2-CB 4.31Å; L512-L535 HydrophobicContact CD2-CD1 4.07Å; A533-L535 PolarHBondContact O-N 3.07Å; L535-V537 VanDerWaalsContact C-N 3.31Å; L535-V537 PolarHBondContact O-N 2.85Å; L535-R538 CarbonylContact O-C 3.49Å; L535-R538 WeakPolarHBondContact O-CB 3.43Å; L535-R538 PolarHBondContact O-N 3.2Å; L535-L539 HydrophobicContact CD1-CD2 4.48Å; L535-L539 HydrophobicContact CD1-CG 4.29Å; L535-L539 HydrophobicContact CG-CG 4.48Å; L535-L539 WeakPolarHBondContact O-CG 3.23Å; L535-L539 PolarHBondContact O-N 3.34Å; L535-I558 HydrophobicContact CD1-CD1 3.95Å; L535-I558 HydrophobicContact CD2-CD1 4.02Å; L535-I558 HydrophobicContact CD2-CG1 4.35Å; L535-I558 HydrophobicContact CD2-CG2 4.49Å; L535-I558 HydrophobicContact CG-CD1 4.36Å
536I98.3Very high95.7Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-63.4-39.4-178.7-60.5-177.4000111.5V229 R231 D234 P534 R538 L539 C540 F584V229-I536 HydrophobicContact CB-CD1 4.46Å; V229-I536 HydrophobicContact CB-CG2 4.09Å; V229-I536 HydrophobicContact CG1-CD1 3.74Å; V229-I536 HydrophobicContact CG1-CG1 3.91Å; V229-I536 HydrophobicContact CG1-CG2 3.95Å; V229-I536 HydrophobicContact CG2-CG2 4.08Å; R231-I536 VanDerWaalsContact CZ-CD1 3.44Å; D234-I536 HydrophobicContact CB-CD1 4.32Å; D234-I536 HydrophobicContact CB-CG1 4.01Å; P534-I536 VanDerWaalsContact C-N 3.32Å; P534-I536 PolarHBondContact O-N 3.35Å; I536-R538 VanDerWaalsContact C-N 3.35Å; I536-L539 WeakPolarHBondContact O-CB 3.46Å; I536-L539 PolarHBondContact O-N 3.36Å; I536-C540 PolarHBondContact O-N 2.85Å; I536-C540 VanDerWaalsContact O-N 3.08Å; I536-C540 PolarHBondContact O-SG 3.48Å; I536-F584 HydrophobicContact CB-CE1 3.89Å; I536-F584 HydrophobicContact CB-CZ 4.28Å; I536-F584 HydrophobicContact CD1-CD1 3.99Å; I536-F584 HydrophobicContact CD1-CE1 3.75Å; I536-F584 HydrophobicContact CG1-CE1 4.41Å; I536-F584 HydrophobicContact CG2-CD1 4.28Å; I536-F584 HydrophobicContact CG2-CE1 3.43Å; I536-F584 VanDerWaalsContact CG2-CE1 3.43Å; I536-F584 HydrophobicContact CG2-CE2 4.49Å; I536-F584 HydrophobicContact CG2-CZ 3.54Å
537V98.3Very high95.5Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-68.3-39.1177-176.10000110.4I525 P534 L535 L539 C540 E541 E592 A595 L596 L599I525-V537 HydrophobicContact CB-CG1 4.44Å; I525-V537 HydrophobicContact CD1-CB 4.05Å; I525-V537 HydrophobicContact CD1-CG1 3.76Å; I525-V537 HydrophobicContact CG2-CG1 4.08Å; P534-V537 HydrophobicContact CB-CB 4.14Å; P534-V537 HydrophobicContact CB-CG2 3.88Å; P534-V537 HydrophobicContact CG-CG2 4.38Å; P534-V537 PolarHBondContact O-N 3.34Å; L535-V537 VanDerWaalsContact C-N 3.31Å; L535-V537 PolarHBondContact O-N 2.85Å; V537-L539 VanDerWaalsContact C-N 3.31Å; V537-L539 PolarHBondContact O-N 3.25Å; V537-C540 WeakPolarHBondContact O-CA 3.22Å; V537-C540 WeakPolarHBondContact O-CB 3.25Å; V537-C540 PolarHBondContact O-N 3.14Å; V537-E541 PolarHBondContact O-N 3.39Å; V537-E592 HydrophobicContact CG2-CB 3.91Å; V537-E592 HydrophobicContact CG2-CG 3.95Å; V537-A595 HydrophobicContact CB-CB 4.45Å; V537-A595 HydrophobicContact CG1-CB 3.79Å; V537-A595 HydrophobicContact CG2-CB 4.24Å; V537-L596 HydrophobicContact CG1-CD2 4.11Å; V537-L596 HydrophobicContact CG1-CG 4.23Å; V537-L596 HydrophobicContact CG2-CG 4.16Å; V537-L599 HydrophobicContact CG1-CD1 3.5Å; V537-L599 VanDerWaalsContact CG1-CD1 3.5Å; V537-L599 HydrophobicContact CG1-CG 4.2Å
538R97.7Very high95.4Very high5 Ų519.7 Ų19.72%0.01911%0.11CC..Hα-helixtrans-61.5-38.4172.2-168.967.678.2-162.10.9112.1F510 M511 L512 D524 I525 P534 L535 I536 C540 E541 Q542F510-R538 HydrophobicContact CB-CG 4.06Å; F510-R538 HydrophobicContact CD1-CG 4.35Å; F510-R538 WeakPolarHBondContact O-CD 3.47Å; F510-R538 VanDerWaalsContact O-CG 3.31Å; F510-R538 WeakPolarHBondContact O-CG 3.31Å; F510-R538 PolarHBondContact O-NE 2.96Å; M511-R538 PolarHBondContact O-NH2 3.27Å; L512-R538 HydrophobicContact CD2-CB 4.1Å; L512-R538 HydrophobicContact CD2-CG 4.19Å; D524-R538 VanDerWaalsContact CG-NH2 3.3Å; D524-R538 IonicContact OD1-CZ 3.84Å; D524-R538 VanDerWaalsContact OD1-CZ 3.29Å; D524-R538 IonicContact OD1-NH1 3.84Å; D524-R538 PolarHBondContact OD1-NH1 3.46Å; D524-R538 IonicContact OD1-NH2 3.35Å; D524-R538 PolarHBondContact OD1-NH2 2.82Å; D524-R538 IonicContact OD2-CZ 3.68Å; D524-R538 IonicContact OD2-NH1 3.4Å; D524-R538 IonicContact OD2-NH2 3.86Å; D524-R538 PolarHBondContact OD2-NH2 3.12Å; I525-R538 HydrophobicContact CD1-CB 4.17Å; P534-R538 PolarHBondContact O-N 3.48Å; L535-R538 CarbonylContact O-C 3.49Å; L535-R538 WeakPolarHBondContact O-CB 3.43Å; L535-R538 PolarHBondContact O-N 3.2Å; I536-R538 VanDerWaalsContact C-N 3.35Å; R538-C540 VanDerWaalsContact C-N 3.29Å; R538-C540 PolarHBondContact O-N 3.08Å; R538-E541 WeakPolarHBondContact CD-OE2 3.4Å; R538-E541 IonicContact CZ-OE2 2.66Å; R538-E541 IonicContact NE-OE2 3.04Å; R538-E541 IonicContact NH1-OE1 3.96Å; R538-E541 IonicContact NH1-OE2 3.15Å; R538-E541 PolarHBondContact NH1-OE2 3.37Å; R538-E541 WeakPolarHBondContact O-CB 3.38Å; R538-E541 PolarHBondContact O-N 3.14Å; R538-Q542 WeakPolarHBondContact O-CG 3.26Å; R538-Q542 PolarHBondContact O-N 3.09Å
539L97.6Very high95.2Very high0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-62.7-35.6172.5-66.6179000112.2K196 V233 F510 L535 I536 V537 Q542 M543 W548 L555 I558K196-L539 HydrophobicContact CG-CD1 4.16Å; V233-L539 HydrophobicContact CG1-CD1 4.37Å; F510-L539 HydrophobicContact CD1-CD2 4.22Å; F510-L539 HydrophobicContact CE1-CD2 3.56Å; F510-L539 HydrophobicContact CZ-CD2 3.87Å; L535-L539 HydrophobicContact CD1-CD2 4.48Å; L535-L539 HydrophobicContact CD1-CG 4.29Å; L535-L539 HydrophobicContact CG-CG 4.48Å; L535-L539 WeakPolarHBondContact O-CG 3.23Å; L535-L539 PolarHBondContact O-N 3.34Å; I536-L539 WeakPolarHBondContact O-CB 3.46Å; I536-L539 PolarHBondContact O-N 3.36Å; V537-L539 VanDerWaalsContact C-N 3.31Å; V537-L539 PolarHBondContact O-N 3.25Å; L539-Q542 PolarHBondContact O-N 2.83Å; L539-M543 PolarHBondContact O-N 2.91Å; L539-W548 HydrophobicContact CB-CZ2 4.04Å; L539-W548 PolarHBondContact O-NE1 3.29Å; L539-L555 HydrophobicContact CD2-CD2 3.59Å; L539-I558 HydrophobicContact CD1-CD1 4.25Å; L539-I558 HydrophobicContact CD2-CD1 3.96Å
540C97.6Very high95.2Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-67.3-41.8175.1-61.60000111.7I227 I536 V537 R538 M543 S544 L596 L599 F607I227-C540 HydrophobicContact CD1-CB 4.29Å; I536-C540 PolarHBondContact O-N 2.85Å; I536-C540 VanDerWaalsContact O-N 3.08Å; I536-C540 PolarHBondContact O-SG 3.48Å; V537-C540 WeakPolarHBondContact O-CA 3.22Å; V537-C540 WeakPolarHBondContact O-CB 3.25Å; V537-C540 PolarHBondContact O-N 3.14Å; R538-C540 VanDerWaalsContact C-N 3.29Å; R538-C540 PolarHBondContact O-N 3.08Å; C540-M543 WeakPolarHBondContact O-CB 3.25Å; C540-M543 PolarHBondContact O-N 3.22Å; C540-S544 PolarHBondContact O-N 3.44Å; C540-L596 HydrophobicContact CB-CD2 3.91Å; C540-L599 HydrophobicContact CB-CD1 4.45Å; C540-F607 HydrophobicContact CB-CD1 4.41Å; C540-F607 HydrophobicContact CB-CE1 3.9Å; C540-F607 HydrophobicContact CB-CZ 4.37Å
541E96.7Very high95.2Very high50 Ų5029.5 Ų29.523%0.23416%0.156CC..Hα-helixtrans-58.3-48.2172.1-178.2-175.2-129.300111.4V537 R538 M543 S544 K545 L599V537-E541 PolarHBondContact O-N 3.39Å; R538-E541 WeakPolarHBondContact CD-OE2 3.4Å; R538-E541 IonicContact CZ-OE2 2.66Å; R538-E541 IonicContact NE-OE2 3.04Å; R538-E541 IonicContact NH1-OE1 3.96Å; R538-E541 IonicContact NH1-OE2 3.15Å; R538-E541 PolarHBondContact NH1-OE2 3.37Å; R538-E541 WeakPolarHBondContact O-CB 3.38Å; R538-E541 PolarHBondContact O-N 3.14Å; E541-M543 PolarHBondContact O-N 2.99Å; E541-S544 WeakPolarHBondContact O-CB 3.34Å; E541-S544 PolarHBondContact O-N 2.86Å; E541-K545 PolarHBondContact O-N 2.95Å; E541-K545 VanDerWaalsContact O-N 3.12Å; E541-L599 HydrophobicContact CB-CD1 3.93Å; E541-L599 HydrophobicContact CB-CD2 3.98Å; E541-L599 HydrophobicContact CG-CD2 4.05Å
542Q95.2Very high95.3Very high35 Ų3531.8 Ų31.816%0.16417%0.167CC..Hα-helixtrans-65.6-20.9179.5-65-67.6-46.500113.1F510 R538 L539 K545 G547 I551F510-Q542 HydrophobicContact CD1-CG 4.4Å; R538-Q542 WeakPolarHBondContact O-CG 3.26Å; R538-Q542 PolarHBondContact O-N 3.09Å; L539-Q542 PolarHBondContact O-N 2.83Å; Q542-K545 WeakPolarHBondContact CA-O 3.39Å; Q542-G547 CarbonylContact O-C 3.58Å; Q542-G547 WeakPolarHBondContact O-CA 3.43Å; Q542-G547 PolarHBondContact O-N 3.04Å; Q542-I551 HydrophobicContact CB-CD1 3.65Å; Q542-I551 HydrophobicContact CG-CD1 4.23Å
543M93.9Very high95.2Very high13 Ų1338.8 Ų38.86%0.06420%0.2CC..Hα-helixtrans-68-40.6170.5-168-79.7-7700110.9F194 I227 L539 C540 E541 G547 V580F194-M543 HydrophobicContact CD1-CG 4.31Å; F194-M543 HydrophobicContact CD2-CG 4.25Å; F194-M543 HydrophobicContact CE1-CG 4.17Å; F194-M543 HydrophobicContact CE2-CG 4.12Å; F194-M543 HydrophobicContact CE2-SD 3.99Å; F194-M543 HydrophobicContact CG-CG 4.35Å; F194-M543 HydrophobicContact CZ-CG 4.08Å; F194-M543 HydrophobicContact CZ-SD 4.05Å; I227-M543 HydrophobicContact CD1-CB 4.02Å; I227-M543 HydrophobicContact CD1-CE 3.86Å; I227-M543 HydrophobicContact CD1-CG 4.03Å; I227-M543 HydrophobicContact CG1-CE 4.33Å; L539-M543 PolarHBondContact O-N 2.91Å; C540-M543 WeakPolarHBondContact O-CB 3.25Å; C540-M543 PolarHBondContact O-N 3.22Å; E541-M543 PolarHBondContact O-N 2.99Å; M543-G547 WeakPolarHBondContact O-CA 3.26Å; M543-V580 HydrophobicContact CE-CB 4.23Å; M543-V580 HydrophobicContact CE-CG1 3.6Å; M543-V580 HydrophobicContact CE-CG2 3.58Å
544S88.6Confident95.1Very high22 Ų2240.8 Ų40.815%0.15421%0.211CC..Hα-helixtrans-67.2-52.1177.1-67.70000112.2C540 E541 H605C540-S544 PolarHBondContact O-N 3.44Å; E541-S544 WeakPolarHBondContact O-CB 3.34Å; E541-S544 PolarHBondContact O-N 2.86Å; S544-H605 PolarHBondContact OG-ND1 2.81Å
545K89.1Confident95Very high144 Ų14440.8 Ų40.863%0.62621%0.211SC*.THydrogen-bonded Turntrans-149.8123.2178.6-66.4-179.3-177.4166.60107.9E541 Q542 D604E541-K545 PolarHBondContact O-N 2.95Å; E541-K545 VanDerWaalsContact O-N 3.12Å; Q542-K545 WeakPolarHBondContact CA-O 3.39Å; K545-D604 IonicContact NZ-OD2 2.72Å
546P93.4Very high94.8Very high69 Ų6947.7 Ų47.745%0.44824%0.243SC..THydrogen-bonded Turncis-88.1-3.99.136.9-36.5000114.9N550 I551P546-N550 HydrophobicContact CB-CB 4.15Å; P546-N550 HydrophobicContact CG-CB 4.19Å; P546-N550 PolarHBondContact O-ND2 2.88Å; P546-I551 HydrophobicContact CG-CG2 3.74Å
547G93.2Very high94.5Very high16 Ų1651.7 Ų51.717%0.16526%0.26CS..  trans100.4142.1-172.100000112.4Q542 M543 Q549 N550Q542-G547 CarbonylContact O-C 3.58Å; Q542-G547 WeakPolarHBondContact O-CA 3.43Å; Q542-G547 PolarHBondContact O-N 3.04Å; M543-G547 WeakPolarHBondContact O-CA 3.26Å; G547-Q549 PolarHBondContact O-N 3.25Å; G547-N550 WeakPolarHBondContact O-CB 3.42Å; G547-N550 PolarHBondContact O-N 2.7Å
548W95.3Very high94.4Very high2 Ų251.8 Ų51.81%0.00826%0.261CS..G310 helixtrans-61.6-27.3-174.1-80.418.5000114.8F194 K196 I227 L539 N550 I551 T552 L555 V562 I564F194-W548 HydrophobicContact CB-CE3 3.93Å; F194-W548 HydrophobicContact CB-CH2 4.06Å; F194-W548 HydrophobicContact CB-CZ3 3.68Å; F194-W548 HydrophobicContact CD1-CB 4.42Å; F194-W548 HydrophobicContact CD1-CD2 4.16Å; F194-W548 AromaticContact CD1-CE3 3.94Å; F194-W548 HydrophobicContact CD1-CE3 3.94Å; F194-W548 HydrophobicContact CD1-CG 4.4Å; F194-W548 HydrophobicContact CG-CE3 4.39Å; K196-W548 HydrophobicContact CB-CH2 3.82Å; K196-W548 HydrophobicContact CB-CZ3 4.18Å; I227-W548 HydrophobicContact CG2-CH2 3.74Å; I227-W548 HydrophobicContact CG2-CZ2 3.88Å; L539-W548 HydrophobicContact CB-CZ2 4.04Å; L539-W548 PolarHBondContact O-NE1 3.29Å; W548-N550 PolarHBondContact O-N 3.32Å; W548-I551 PolarHBondContact O-N 3.04Å; W548-T552 PolarHBondContact O-N 3.47Å; W548-L555 HydrophobicContact CB-CD1 3.92Å; W548-L555 HydrophobicContact CD2-CD1 4.05Å; W548-L555 HydrophobicContact CE3-CD1 4.17Å; W548-L555 HydrophobicContact CG-CD1 3.96Å; W548-V562 HydrophobicContact CE3-CG1 4.5Å; W548-I564 HydrophobicContact CB-CD1 3.7Å; W548-I564 HydrophobicContact CB-CG1 4.34Å; W548-I564 HydrophobicContact CE3-CG1 4.35Å
549Q93.1Very high94.1Very high110 Ų11055.2 Ų55.251%0.51428%0.284SS..G310 helixtrans-61.5-28.2174.3-65179.4-6.300112.4G547 I564 D566G547-Q549 PolarHBondContact O-N 3.25Å; Q549-I564 HydrophobicContact CG-CD1 4.22Å; Q549-I564 HydrophobicContact CG-CG2 4.44Å; Q549-D566 VanDerWaalsContact NE2-CG 3.3Å; Q549-D566 PolarHBondContact NE2-OD1 2.91Å; Q549-D566 PolarHBondContact NE2-OD2 3.4Å
550N95.3Very high94Very high119 Ų11956.7 Ų56.764%0.63630%0.299SS*.G310 helixtrans-91.8-2.2-177-64-42.5000113.3P546 G547 W548P546-N550 HydrophobicContact CB-CB 4.15Å; P546-N550 HydrophobicContact CG-CB 4.19Å; P546-N550 PolarHBondContact O-ND2 2.88Å; G547-N550 WeakPolarHBondContact O-CB 3.42Å; G547-N550 PolarHBondContact O-N 2.7Å; W548-N550 PolarHBondContact O-N 3.32Å
551I95Very high93.9Very high12 Ų1258.3 Ų58.36%0.06231%0.312CS..  trans-129.621.8-178.160.3152.7000112.4F510 Q542 P546 W548 E553 N554 L555F510-I551 HydrophobicContact CE1-CD1 4.15Å; Q542-I551 HydrophobicContact CB-CD1 3.65Å; Q542-I551 HydrophobicContact CG-CD1 4.23Å; P546-I551 HydrophobicContact CG-CG2 3.74Å; W548-I551 PolarHBondContact O-N 3.04Å; I551-E553 VanDerWaalsContact C-N 3.29Å; I551-E553 PolarHBondContact O-N 3.39Å; I551-N554 HydrophobicContact CB-CB 4.44Å; I551-N554 WeakPolarHBondContact O-CA 3.5Å; I551-N554 WeakPolarHBondContact O-CB 3.44Å; I551-N554 PolarHBondContact O-N 3.16Å; I551-L555 HydrophobicContact CD1-CD1 4.16Å; I551-L555 HydrophobicContact CD1-CD2 4Å; I551-L555 HydrophobicContact CD1-CG 3.89Å; I551-L555 HydrophobicContact CG1-CD1 4.02Å; I551-L555 HydrophobicContact CG1-CG 4.07Å; I551-L555 WeakPolarHBondContact O-CG 3.36Å; I551-L555 PolarHBondContact O-N 3.06Å
552T93.6Very high93.9Very high61 Ų6158.3 Ų58.337%0.37432%0.315SS..Hα-helixtrans-53.5-44.3-178.3480000112.3W548 N554 L555 E556W548-T552 PolarHBondContact O-N 3.47Å; T552-N554 VanDerWaalsContact C-N 3.27Å; T552-N554 PolarHBondContact O-N 3.19Å; T552-L555 WeakPolarHBondContact O-CB 3.37Å; T552-L555 PolarHBondContact O-N 2.98Å; T552-L555 VanDerWaalsContact O-N 3.09Å; T552-E556 WeakPolarHBondContact O-CG 3.11Å; T552-E556 PolarHBondContact O-N 3.5Å
553E94Very high94Very high149 Ų14959.1 Ų59.170%0.69632%0.319SS*.Hα-helixtrans-58.8-36176-63-176.3178.700112.9I551I551-E553 VanDerWaalsContact C-N 3.29Å; I551-E553 PolarHBondContact O-N 3.39Å
554N95.6Very high94Very high43 Ų4360.8 Ų60.823%0.2333%0.327CS..Hα-helixtrans-76.9-36.4175.9-73.9-23.8000111.5F510 I551 T552 E556 K557F510-N554 HydrophobicContact CE1-CB 4.37Å; F510-N554 HydrophobicContact CE2-CB 4.05Å; F510-N554 HydrophobicContact CZ-CB 3.69Å; I551-N554 HydrophobicContact CB-CB 4.44Å; I551-N554 WeakPolarHBondContact O-CA 3.5Å; I551-N554 WeakPolarHBondContact O-CB 3.44Å; I551-N554 PolarHBondContact O-N 3.16Å; T552-N554 VanDerWaalsContact C-N 3.27Å; T552-N554 PolarHBondContact O-N 3.19Å; N554-E556 VanDerWaalsContact C-N 3.3Å; N554-E556 PolarHBondContact O-N 2.87Å; N554-K557 WeakPolarHBondContact O-CB 3.31Å; N554-K557 PolarHBondContact O-N 2.87Å; N554-K557 PolarHBondContact OD1-NZ 3.29Å
555L95.8Very high94.2Very high0 Ų061.2 Ų61.20%033%0.327CS..Hα-helixtrans-65.4-32.9175.8-68.4171.6000112.2K196 L539 W548 I551 T552 K557 I558 V562K196-L555 PolarHBondContact NZ-O 3.45Å; L539-L555 HydrophobicContact CD2-CD2 3.59Å; W548-L555 HydrophobicContact CB-CD1 3.92Å; W548-L555 HydrophobicContact CD2-CD1 4.05Å; W548-L555 HydrophobicContact CE3-CD1 4.17Å; W548-L555 HydrophobicContact CG-CD1 3.96Å; I551-L555 HydrophobicContact CD1-CD1 4.16Å; I551-L555 HydrophobicContact CD1-CD2 4Å; I551-L555 HydrophobicContact CD1-CG 3.89Å; I551-L555 HydrophobicContact CG1-CD1 4.02Å; I551-L555 HydrophobicContact CG1-CG 4.07Å; I551-L555 WeakPolarHBondContact O-CG 3.36Å; I551-L555 PolarHBondContact O-N 3.06Å; T552-L555 WeakPolarHBondContact O-CB 3.37Å; T552-L555 PolarHBondContact O-N 2.98Å; T552-L555 VanDerWaalsContact O-N 3.09Å; L555-K557 VanDerWaalsContact C-N 3.27Å; L555-K557 PolarHBondContact O-N 2.63Å; L555-I558 PolarHBondContact O-N 3.19Å; L555-V562 HydrophobicContact CB-CG2 3.97Å; L555-V562 HydrophobicContact CD1-CG1 4.1Å
556E93.7Very high93.9Very high151 Ų15158.4 Ų58.471%0.70632%0.319SS*.Hα-helixtrans-68.3-23.7176.1-75.5175.3-176.500113T552 N554 I558T552-E556 WeakPolarHBondContact O-CG 3.11Å; T552-E556 PolarHBondContact O-N 3.5Å; N554-E556 VanDerWaalsContact C-N 3.3Å; N554-E556 PolarHBondContact O-N 2.87Å; E556-I558 PolarHBondContact O-N 3.25Å
557K92.5Very high93.3Very high84 Ų8461.4 Ų61.437%0.36533%0.325SS..THydrogen-bonded Turntrans-68.6-23.4173.1-63.8170.4-173.1163.90112.4L502 A509 N554 L555L502-K557 WeakPolarHBondContact CD1-O 3.37Å; A509-K557 HydrophobicContact CB-CD 4.37Å; N554-K557 WeakPolarHBondContact O-CB 3.31Å; N554-K557 PolarHBondContact O-N 2.87Å; N554-K557 PolarHBondContact OD1-NZ 3.29Å; L555-K557 VanDerWaalsContact C-N 3.27Å; L555-K557 PolarHBondContact O-N 2.63Å
558I95.4Very high92.4Very high3 Ų362.2 Ų62.22%0.01533%0.325CS..SBendtrans-89.9128.9179.2-60.3168.3000107.9K196 V233 I506 F510 L535 L539 L555 E556K196-I558 PolarHBondContact NZ-O 3.44Å; V233-I558 HydrophobicContact CG1-CG2 3.56Å; I506-I558 HydrophobicContact CD1-CG1 4.14Å; I506-I558 HydrophobicContact CG1-CG1 4.22Å; I506-I558 HydrophobicContact CG2-CG1 4.4Å; F510-I558 HydrophobicContact CD2-CD1 4.31Å; F510-I558 HydrophobicContact CE2-CD1 3.53Å; F510-I558 HydrophobicContact CE2-CG1 4.05Å; F510-I558 HydrophobicContact CZ-CD1 3.72Å; L535-I558 HydrophobicContact CD1-CD1 3.95Å; L535-I558 HydrophobicContact CD2-CD1 4.02Å; L535-I558 HydrophobicContact CD2-CG1 4.35Å; L535-I558 HydrophobicContact CD2-CG2 4.49Å; L535-I558 HydrophobicContact CG-CD1 4.36Å; L539-I558 HydrophobicContact CD1-CD1 4.25Å; L539-I558 HydrophobicContact CD2-CD1 3.96Å; L555-I558 PolarHBondContact O-N 3.19Å; E556-I558 PolarHBondContact O-N 3.25Å
559P92.4Very high91.1Very high77 Ų7764.5 Ų64.550%0.535%0.349SS..SBendtrans-55.7150.6176.6-26.735.4000113.8L502L502-P559 HydrophobicContact CD2-CG 3.93Å
560G94.3Very high89.7Confident31 Ų3167.5 Ų67.532%0.3236%0.363SS..SBendtrans95.1153.7176.600000114.6K196 N198K196-G560 PolarHBondContact NZ-O 3.5Å; N198-G560 WeakPolarHBondContact OD1-CA 3.19Å
561A96.6Very high88Confident33 Ų3363.6 Ų63.627%0.27335%0.351SS..  trans-58.6148.5-175.400000113.4K196 G197 N198K196-A561 WeakPolarHBondContact CA-O 3.45Å; G197-A561 PolarHBondContact N-O 2.94Å; N198-A561 PolarHBondContact OD1-N 3.16Å; N198-A561 VanDerWaalsContact OD1-N 3.13Å
562V96.6Very high86.6Confident50 Ų5066.6 Ų66.630%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-115.4131.8170.4-177.90000107.8C195 K196 W548 L555 I564C195-V562 WeakPolarHBondContact O-CA 3.45Å; K196-V562 HydrophobicContact CD-CG2 3.76Å; W548-V562 HydrophobicContact CE3-CG1 4.5Å; L555-V562 HydrophobicContact CB-CG2 3.97Å; L555-V562 HydrophobicContact CD1-CG1 4.1Å; V562-I564 HydrophobicContact CG1-CG1 4.4Å
563K95.7Very high85.2Confident53 Ų5368.4 Ų68.423%0.2338%0.38CS..EExtended strand (participates in β ladder)trans-133.3134.7169.3-64.9-176.2172.3167.90109.9F194 C195 S201 I565F194-K563 CarbonylContact C-O 3.47Å; F194-K563 WeakPolarHBondContact CA-O 3.39Å; C195-K563 HydrophobicContact CB-CB 4.02Å; C195-K563 PolarHBondContact N-O 2.97Å; C195-K563 PolarHBondContact O-N 3.38Å; S201-K563 PolarHBondContact O-NZ 3.08Å; S201-K563 WeakPolarHBondContact OG-CE 3.4Å; S201-K563 PolarHBondContact OG-NZ 2.84Å; K563-I565 HydrophobicContact CB-CD1 3.94Å
564I95.2Very high83.7Confident48 Ų4864.9 Ų64.925%0.24637%0.371CS..EExtended strand (participates in β ladder)trans-124.8120.7176.1-57.4173.8000107.1F194 W548 Q549 V562F194-I564 HydrophobicContact CD1-CG1 4.29Å; F194-I564 HydrophobicContact CD1-CG2 4.04Å; F194-I564 HydrophobicContact CE1-CG2 3.78Å; W548-I564 HydrophobicContact CB-CD1 3.7Å; W548-I564 HydrophobicContact CB-CG1 4.34Å; W548-I564 HydrophobicContact CE3-CG1 4.35Å; Q549-I564 HydrophobicContact CG-CD1 4.22Å; Q549-I564 HydrophobicContact CG-CG2 4.44Å; V562-I564 HydrophobicContact CG1-CG1 4.4Å
565I93.2Very high81.9Confident31 Ų3168.6 Ų68.616%0.15939%0.39CS..EExtended strand (participates in β ladder)trans-123.198.4178.5-58.689.5000107.1R192 V193 W204 K563 I568R192-I565 WeakPolarHBondContact CA-O 3.43Å; V193-I565 HydrophobicContact CB-CB 4.15Å; V193-I565 HydrophobicContact CB-CD1 4.01Å; V193-I565 HydrophobicContact CG1-CD1 4.19Å; V193-I565 PolarHBondContact N-O 3.44Å; V193-I565 WeakPolarHBondContact O-CD1 3.28Å; V193-I565 PolarHBondContact O-N 3.36Å; W204-I565 HydrophobicContact CD2-CD1 4.25Å; W204-I565 HydrophobicContact CG-CD1 4.35Å; W204-I565 HydrophobicContact CZ2-CB 4.46Å; W204-I565 HydrophobicContact CZ2-CD1 4.27Å; W204-I565 HydrophobicContact CZ2-CG1 3.87Å; W204-I565 HydrophobicContact CZ2-CG2 4.15Å; K563-I565 HydrophobicContact CB-CD1 3.94Å; I565-I568 HydrophobicContact CG2-CD1 4.38Å; I565-I568 HydrophobicContact CG2-CG1 3.71Å
566D82.7Confident80.5Confident85 Ų8571.5 Ų71.546%0.45542%0.42SS..  trans-77.7-19-172.7-65.9-53000114.4R192 Q549R192-D566 VanDerWaalsContact CG-O 3.26Å; R192-D566 WeakPolarHBondContact CG-O 3.27Å; Q549-D566 VanDerWaalsContact NE2-CG 3.3Å; Q549-D566 PolarHBondContact NE2-OD1 2.91Å; Q549-D566 PolarHBondContact NE2-OD2 3.4Å
567K80.7Confident79.7Confident132 Ų13269.6 Ų69.657%0.57441%0.411SS*.  trans-154.8134.6177-163.8174.9-178.5-1780110.9G191 G569 E570G191-K567 CarbonylContact O-C 3.6Å; G191-K567 WeakPolarHBondContact O-CA 2.98Å; K567-G569 WeakPolarHBondContact CE-O 3.22Å; K567-E570 WeakPolarHBondContact CE-O 3.41Å; K567-E570 PolarHBondContact NZ-O 2.94Å
568I74.3Confident79.5Confident33 Ų3370.5 Ų70.517%0.16942%0.415CS..  trans-116.1120.1171-57.4156.4000107.6I190 G191 V193 W204 R211 I565I190-I568 VanDerWaalsContact O-CD1 3.26Å; I190-I568 WeakPolarHBondContact O-CD1 3.35Å; G191-I568 WeakPolarHBondContact O-CG1 3.17Å; G191-I568 PolarHBondContact O-N 3.3Å; V193-I568 HydrophobicContact CG2-CD1 3.6Å; W204-I568 HydrophobicContact CH2-CD1 3.71Å; W204-I568 HydrophobicContact CH2-CG1 3.99Å; W204-I568 HydrophobicContact CZ3-CD1 4.04Å; R211-I568 VanDerWaalsContact NH1-CD1 3.35Å; I565-I568 HydrophobicContact CG2-CD1 4.38Å; I565-I568 HydrophobicContact CG2-CG1 3.71Å
569G68.2Low79.4Confident49 Ų4970.5 Ų70.551%0.50542%0.415SS..SBendtrans73.9-160.9-179.400000114.4E218 K567 G571E218-G569 WeakPolarHBondContact OE1-CA 3.36Å; K567-G569 WeakPolarHBondContact CE-O 3.22Å; G569-G571 PolarHBondContact O-N 3.01Å
570E62.3Low79.6Confident174 Ų17466.9 Ų66.981%0.81339%0.391SS*.SBendtrans-72-15.6-179.8-68.7-170.5170.100112.3K567K567-E570 WeakPolarHBondContact CE-O 3.41Å; K567-E570 PolarHBondContact NZ-O 2.94Å
571G61.2Low79.7Confident37 Ų3765.4 Ų65.438%0.38138%0.376SS..  trans73.2102.7174.300000111.6G569G569-G571 PolarHBondContact O-N 3.01Å
572L65.9Low79.8Confident75 Ų7563.8 Ų63.839%0.39336%0.363SS..PPolyproline II helixtrans-70.3144.8171-69.2167.3000110.4E218 M219 S574E218-L572 HydrophobicContact CB-CD1 3.71Å; E218-L572 HydrophobicContact CB-CG 4.37Å; M219-L572 VanDerWaalsContact C-CD1 3.43Å; L572-S574 PolarHBondContact O-N 3.4Å
573P64Low79.9Confident98 Ų9861.4 Ų61.464%0.63635%0.349SS*.PPolyproline II helixtrans-58.6132.1173.424.2-31.5000109.7
574S61.7Low80.1Confident75 Ų7558.9 Ų58.952%0.52434%0.338SS..PPolyproline II helixtrans-79.5121.6170.354.70000109.2N224 L572N224-S574 WeakPolarHBondContact ND2-CB 3.41Å; L572-S574 PolarHBondContact O-N 3.4Å
575I57.4Low80.2Confident122 Ų12256.8 Ų56.863%0.62633%0.327SS*.PPolyproline II helixtrans-98.4131.3168.4-57.1-173.6000108.1E220E220-I575 WeakPolarHBondContact OE1-CB 3.09Å; E220-I575 WeakPolarHBondContact OE1-CD1 3.33Å; E220-I575 WeakPolarHBondContact OE1-CG1 3.18Å
576G66.1Low80.4Confident60 Ų6055.4 Ų55.462%0.61932%0.32SS*.SBendtrans99.9-157172.100000115.9
577E76.4Confident81.1Confident112 Ų11251.3 Ų51.352%0.52330%0.299SS..SBendtrans-62.9146.3-179-63.2-179.1152.300111.2N224 V579 K606N224-E577 PolarHBondContact OD1-O 3.29Å; E577-V579 HydrophobicContact CB-CG2 4.34Å; E577-V579 PolarHBondContact O-N 3.24Å; E577-K606 WeakPolarHBondContact OE2-CD 3.48Å; E577-K606 IonicContact OE2-NZ 3.43Å; E577-K606 PolarHBondContact OE2-NZ 3.25Å
578K88.8Confident82Confident102 Ų10245 Ų4544%0.44327%0.271SS..EExtended strand (participates in β ladder)trans-78.190175.3-62.4176-178.8169.50109.9N224 H605 K606N224-K578 WeakPolarHBondContact OD1-CA 3.29Å; K578-H605 VanDerWaalsContact CB-CD2 3.45Å; K578-H605 WeakPolarHBondContact CB-CD2 2.95Å; K578-H605 CarbonylContact O-C 3.56Å; K578-H605 VanDerWaalsContact O-CA 3.29Å; K578-H605 WeakPolarHBondContact O-CA 3.35Å; K578-K606 PolarHBondContact O-N 3.15Å
579V93.8Very high83.1Confident4 Ų443.5 Ų43.52%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-86129-178.3-175.80000110.9A12 L222 I223 N224 A225 E577 K606 I608A12-V579 HydrophobicContact CB-CG1 4.43Å; L222-V579 WeakPolarHBondContact O-CB 3.38Å; L222-V579 WeakPolarHBondContact O-CG2 3.45Å; I223-V579 HydrophobicContact CG1-CG1 4.31Å; N224-V579 PolarHBondContact N-O 2.77Å; N224-V579 PolarHBondContact OD1-N 3.25Å; A225-V579 PolarHBondContact N-O 3.45Å; E577-V579 HydrophobicContact CB-CG2 4.34Å; E577-V579 PolarHBondContact O-N 3.24Å; V579-K606 WeakPolarHBondContact CA-O 3.22Å; V579-K606 HydrophobicContact CG2-CB 4.39Å; V579-K606 HydrophobicContact CG2-CD 4.47Å; V579-I608 HydrophobicContact CG1-CD1 3.6Å; V579-I608 HydrophobicContact CG1-CG1 4.02Å; V579-I608 HydrophobicContact CG1-CG2 4.37Å
580V95.9Very high84.6Confident0 Ų041.4 Ų41.40%024%0.241CC..EExtended strand (participates in β ladder)trans-120.5117.7180-176.50000109.2A225 I227 M543 H605 K606 F607 I608A225-V580 HydrophobicContact CB-CG1 4.46Å; A225-V580 HydrophobicContact CB-CG2 4.43Å; A225-V580 WeakPolarHBondContact O-CA 3.39Å; I227-V580 HydrophobicContact CD1-CG1 3.93Å; I227-V580 HydrophobicContact CG1-CG1 3.87Å; M543-V580 HydrophobicContact CE-CB 4.23Å; M543-V580 HydrophobicContact CE-CG1 3.6Å; M543-V580 HydrophobicContact CE-CG2 3.58Å; V580-H605 HydrophobicContact CG2-CB 4.03Å; V580-K606 PolarHBondContact N-O 2.59Å; V580-F607 HydrophobicContact CB-CD1 3.92Å; V580-F607 HydrophobicContact CB-CE1 4.08Å; V580-F607 HydrophobicContact CG1-CD1 4.06Å; V580-F607 HydrophobicContact CG1-CE1 4.05Å; V580-F607 HydrophobicContact CG2-CE1 4.41Å; V580-F607 WeakPolarHBondContact O-CA 3.4Å; V580-I608 PolarHBondContact O-N 3.2Å
581L97.9Very high86.3Confident0 Ų033.1 Ų33.10%020%0.202CC..EExtended strand (participates in β ladder)trans-82.2119.4171.3179.267.8000109.9F14 L180 L183 I223 A225 V226 I227 I608 A610F14-L581 HydrophobicContact CZ-CD1 3.88Å; L180-L581 HydrophobicContact CD2-CD2 4.08Å; L183-L581 HydrophobicContact CD1-CD2 3.75Å; I223-L581 HydrophobicContact CG2-CB 3.76Å; A225-L581 PolarHBondContact O-N 3.29Å; V226-L581 CarbonylContact C-O 3.56Å; V226-L581 WeakPolarHBondContact CA-O 3.22Å; V226-L581 HydrophobicContact CB-CB 4.22Å; V226-L581 HydrophobicContact CG2-CB 4.07Å; V226-L581 HydrophobicContact CG2-CD2 3.93Å; V226-L581 HydrophobicContact CG2-CG 4.05Å; V226-L581 WeakPolarHBondContact CG2-O 3.44Å; I227-L581 PolarHBondContact N-O 2.92Å; L581-I608 CarbonylContact C-O 3.44Å; L581-I608 WeakPolarHBondContact CA-O 3.23Å; L581-I608 HydrophobicContact CB-CG1 4.28Å; L581-I608 HydrophobicContact CD1-CD1 4.26Å; L581-I608 HydrophobicContact CD1-CG1 3.86Å; L581-A610 HydrophobicContact CD1-CB 3.76Å; L581-A610 HydrophobicContact CG-CB 4.36Å
582V98.5Very high88.1Confident0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-98.1111.3170.8-169.90000108.3I227 F584 L596 F607 I608 V609 A610I227-V582 CarbonylContact O-C 3.57Å; V582-F584 HydrophobicContact CB-CE2 4.18Å; V582-F584 HydrophobicContact CG1-CD2 3.93Å; V582-F584 HydrophobicContact CG1-CE2 3.4Å; V582-F584 VanDerWaalsContact CG1-CE2 3.4Å; V582-F584 HydrophobicContact CG1-CZ 4.11Å; V582-L596 HydrophobicContact CB-CD1 4.39Å; V582-L596 HydrophobicContact CG2-CD1 4.45Å; V582-L596 HydrophobicContact CG2-CD2 4.17Å; V582-F607 HydrophobicContact CG2-CD1 3.77Å; V582-I608 PolarHBondContact N-O 3.31Å; V582-V609 WeakPolarHBondContact O-CA 3.35Å; V582-A610 PolarHBondContact O-N 3.48Å; V582-A610 VanDerWaalsContact O-O 3.04Å
583F98.7Very high89.7Confident0 Ų027.8 Ų27.80%017%0.165CC..EExtended strand (participates in β ladder)trans-99.8111.8178.2-160.9-55.2000110.7F146 M156 V176 L180 V226 I227 I228 V229 V585 A610 T612F146-F583 AromaticContact CE1-CE2 3.99Å; F146-F583 HydrophobicContact CE1-CE2 3.99Å; F146-F583 HydrophobicContact CE1-CZ 4.26Å; F146-F583 HydrophobicContact CZ-CD2 4.49Å; F146-F583 AromaticContact CZ-CE2 3.65Å; F146-F583 HydrophobicContact CZ-CE2 3.65Å; F146-F583 HydrophobicContact CZ-CZ 4.29Å; M156-F583 HydrophobicContact SD-CZ 3.74Å; V176-F583 HydrophobicContact CB-CZ 4.21Å; V176-F583 HydrophobicContact CG1-CD1 4.3Å; V176-F583 HydrophobicContact CG1-CD2 4.33Å; V176-F583 HydrophobicContact CG1-CE1 3.8Å; V176-F583 HydrophobicContact CG1-CE2 3.73Å; V176-F583 HydrophobicContact CG1-CZ 3.5Å; V176-F583 HydrophobicContact CG2-CE1 4.07Å; V176-F583 HydrophobicContact CG2-CZ 3.9Å; L180-F583 HydrophobicContact CD2-CD2 3.77Å; L180-F583 HydrophobicContact CD2-CE2 4.28Å; L180-F583 HydrophobicContact CG-CD2 4.17Å; L180-F583 HydrophobicContact CG-CE2 4.27Å; V226-F583 HydrophobicContact CG2-CB 4.4Å; I227-F583 PolarHBondContact O-N 2.89Å; I228-F583 HydrophobicContact CG1-CB 4.46Å; V229-F583 PolarHBondContact N-O 2.72Å; F583-V585 HydrophobicContact CD1-CG2 3.87Å; F583-V585 HydrophobicContact CE1-CG2 4.1Å; F583-A610 CarbonylContact C-O 3.55Å; F583-A610 VanDerWaalsContact CA-O 3.24Å; F583-A610 WeakPolarHBondContact CA-O 3.48Å; F583-A610 HydrophobicContact CB-CB 4.42Å; F583-A610 HydrophobicContact CD2-CB 3.66Å; F583-A610 HydrophobicContact CE2-CB 4.08Å; F583-A610 HydrophobicContact CG-CB 4.06Å; F583-T612 HydrophobicContact CE1-CG2 4.24Å
584F98.7Very high91.3Very high0 Ų023.1 Ų23.10%014%0.135CC..EExtended strand (participates in β ladder)trans-88.4112.3173.3-72.2-106000111.6I536 V582 G587 V588 L596 V609 A610 T611 T612I536-F584 HydrophobicContact CB-CE1 3.89Å; I536-F584 HydrophobicContact CB-CZ 4.28Å; I536-F584 HydrophobicContact CD1-CD1 3.99Å; I536-F584 HydrophobicContact CD1-CE1 3.75Å; I536-F584 HydrophobicContact CG1-CE1 4.41Å; I536-F584 HydrophobicContact CG2-CD1 4.28Å; I536-F584 HydrophobicContact CG2-CE1 3.43Å; I536-F584 VanDerWaalsContact CG2-CE1 3.43Å; I536-F584 HydrophobicContact CG2-CE2 4.49Å; I536-F584 HydrophobicContact CG2-CZ 3.54Å; V582-F584 HydrophobicContact CB-CE2 4.18Å; V582-F584 HydrophobicContact CG1-CD2 3.93Å; V582-F584 HydrophobicContact CG1-CE2 3.4Å; V582-F584 VanDerWaalsContact CG1-CE2 3.4Å; V582-F584 HydrophobicContact CG1-CZ 4.11Å; F584-G587 WeakPolarHBondContact CD1-O 3.13Å; F584-V588 HydrophobicContact CB-CB 4.03Å; F584-V588 HydrophobicContact CD1-CB 3.91Å; F584-V588 HydrophobicContact CD1-CG2 3.95Å; F584-V588 HydrophobicContact CD2-CB 3.86Å; F584-V588 HydrophobicContact CD2-CG2 3.74Å; F584-V588 HydrophobicContact CE1-CB 4.28Å; F584-V588 HydrophobicContact CE1-CG2 3.8Å; F584-V588 HydrophobicContact CE2-CB 4.25Å; F584-V588 HydrophobicContact CE2-CG2 3.6Å; F584-V588 HydrophobicContact CG-CB 3.68Å; F584-V588 HydrophobicContact CG-CG2 3.92Å; F584-V588 HydrophobicContact CZ-CB 4.45Å; F584-V588 HydrophobicContact CZ-CG2 3.63Å; F584-L596 HydrophobicContact CE2-CD1 3.93Å; F584-L596 HydrophobicContact CZ-CD1 4.22Å; F584-V609 HydrophobicContact CD2-CG1 4.1Å; F584-V609 HydrophobicContact CE2-CG1 4.26Å; F584-A610 PolarHBondContact N-O 3.2Å; F584-T611 WeakPolarHBondContact O-CA 3.37Å; F584-T611 PolarHBondContact O-OG1 2.89Å; F584-T612 PolarHBondContact O-N 3.42Å
585V98.1Very high93.1Very high3 Ų319.6 Ų19.62%0.01811%0.11CC..EExtended strand (participates in β ladder)trans-90.5106.8173.4-173.20000109.2I164 T172 I199 I228 V229 D230 R231 F583 T612I164-V585 HydrophobicContact CD1-CG1 4.47Å; T172-V585 HydrophobicContact CG2-CG1 4.02Å; I199-V585 HydrophobicContact CG2-CG1 3.69Å; I228-V585 HydrophobicContact CG2-CG2 3.76Å; V229-V585 PolarHBondContact O-N 3.23Å; D230-V585 CarbonylContact C-O 3.59Å; R231-V585 PolarHBondContact N-O 3.01Å; F583-V585 HydrophobicContact CD1-CG2 3.87Å; F583-V585 HydrophobicContact CE1-CG2 4.1Å; V585-T612 HydrophobicContact CG1-CG2 4.4Å
586G96.9Very high95Very high2 Ų213.8 Ų13.82%0.0218%0.08CC..SBendtrans105.6-3.9-173.800000113.8L161 T612L161-G586 VanDerWaalsContact CB-O 3.29Å; L161-G586 WeakPolarHBondContact CB-O 3.24Å; L161-G586 WeakPolarHBondContact CD2-O 3.5Å; G586-T612 WeakPolarHBondContact CA-OG1 3.45Å; G586-T612 PolarHBondContact N-OG1 3.45Å
587G97.9Very high96.5Very high0 Ų012.4 Ų12.40%06%0.056CC..  trans117.6160.8165.300000115.5R231 F584 T611 T612 N613R231-G587 VanDerWaalsContact CD-O 3.28Å; R231-G587 WeakPolarHBondContact CD-O 3.44Å; F584-G587 WeakPolarHBondContact CD1-O 3.13Å; G587-T611 WeakPolarHBondContact CA-OG1 3.2Å; G587-T612 PolarHBondContact N-OG1 3.22Å; G587-N613 CarbonylContact C-O 3.37Å; G587-N613 WeakPolarHBondContact CA-O 3.26Å
588V98.7Very high97.5Very high0 Ų08.1 Ų8.10%04%0.036CC..BIsolated β-bridgetrans-130.1145.7-178.168.40000109.6F584 E592 V593 V609 T611 N613 V614 I615F584-V588 HydrophobicContact CB-CB 4.03Å; F584-V588 HydrophobicContact CD1-CB 3.91Å; F584-V588 HydrophobicContact CD1-CG2 3.95Å; F584-V588 HydrophobicContact CD2-CB 3.86Å; F584-V588 HydrophobicContact CD2-CG2 3.74Å; F584-V588 HydrophobicContact CE1-CB 4.28Å; F584-V588 HydrophobicContact CE1-CG2 3.8Å; F584-V588 HydrophobicContact CE2-CB 4.25Å; F584-V588 HydrophobicContact CE2-CG2 3.6Å; F584-V588 HydrophobicContact CG-CB 3.68Å; F584-V588 HydrophobicContact CG-CG2 3.92Å; F584-V588 HydrophobicContact CZ-CB 4.45Å; F584-V588 HydrophobicContact CZ-CG2 3.63Å; V588-E592 HydrophobicContact CG2-CB 3.77Å; V588-V593 HydrophobicContact CG1-CG2 4.19Å; V588-V593 HydrophobicContact CG2-CG2 4.02Å; V588-V609 HydrophobicContact CG1-CG1 4.26Å; V588-V609 HydrophobicContact CG2-CG1 4.37Å; V588-T611 HydrophobicContact CG1-CG2 3.75Å; V588-T611 PolarHBondContact N-OG1 2.79Å; V588-N613 PolarHBondContact N-O 3.49Å; V588-N613 VanDerWaalsContact N-O 3.1Å; V588-V614 HydrophobicContact CG1-CG2 4.43Å; V588-V614 CarbonylContact O-C 3.6Å; V588-V614 WeakPolarHBondContact O-CA 3.49Å; V588-I615 PolarHBondContact O-N 2.92Å
589T98.7Very high97.9Very high0 Ų03.4 Ų3.40%02%0.015CC..  trans-88.8156.5171.174.90000110.9T237 P238 Y529 A591 E592 V593T237-T589 HydrophobicContact CG2-CG2 4.33Å; P238-T589 HydrophobicContact CB-CG2 4.24Å; P238-T589 HydrophobicContact CG-CG2 4.24Å; Y529-T589 PolarHBondContact OH-OG1 3.04Å; T589-A591 VanDerWaalsContact C-N 3.27Å; T589-A591 PolarHBondContact O-N 2.99Å; T589-E592 PolarHBondContact N-OE2 3.12Å; T589-E592 WeakPolarHBondContact O-CB 3.46Å; T589-E592 PolarHBondContact O-N 3.25Å; T589-E592 VanDerWaalsContact O-N 3.17Å; T589-E592 WeakPolarHBondContact OG1-CG 3.37Å; T589-E592 PolarHBondContact OG1-N 3.01Å; T589-E592 VanDerWaalsContact OG1-N 3.12Å; T589-V593 WeakPolarHBondContact O-CG2 3.43Å; T589-V593 PolarHBondContact O-N 2.93Å; T589-V593 VanDerWaalsContact O-N 3.14Å
590L98.6Very high98Very high6 Ų65.3 Ų5.33%0.0313%0.027CC..Hα-helixtrans-68.9-29176.9-66.4173.5000111.8L153 E246 D250 I255 E592 V593 S594 V614L153-L590 HydrophobicContact CD2-CD2 4.35Å; E246-L590 HydrophobicContact CG-CB 4.06Å; E246-L590 HydrophobicContact CG-CD1 3.55Å; E246-L590 HydrophobicContact CG-CD2 4.44Å; E246-L590 HydrophobicContact CG-CG 4.21Å; D250-L590 HydrophobicContact CB-CD1 3.72Å; I255-L590 HydrophobicContact CB-CD1 4.31Å; I255-L590 HydrophobicContact CD1-CD1 3.74Å; L590-E592 VanDerWaalsContact C-N 3.33Å; L590-E592 PolarHBondContact O-N 2.68Å; L590-V593 WeakPolarHBondContact O-CB 3.31Å; L590-V593 PolarHBondContact O-N 2.99Å; L590-S594 PolarHBondContact O-N 3.11Å; L590-S594 PolarHBondContact O-OG 2.89Å; L590-V614 HydrophobicContact CD1-CG1 4.39Å; L590-V614 HydrophobicContact CD2-CG1 3.73Å; L590-V614 HydrophobicContact CG-CG1 3.75Å
591A98.5Very high97.9Very high0 Ų09.4 Ų9.40%06%0.056CC..Hα-helixtrans-62-37.9169.400000112.7Q242 V528 Y529 T589 S594 A595Q242-A591 HydrophobicContact CB-CB 4.03Å; Q242-A591 HydrophobicContact CG-CB 3.77Å; V528-A591 HydrophobicContact CB-CB 4.11Å; V528-A591 HydrophobicContact CG2-CB 4.06Å; Y529-A591 HydrophobicContact CD2-CB 4.44Å; Y529-A591 HydrophobicContact CE1-CB 4.35Å; Y529-A591 HydrophobicContact CE2-CB 3.62Å; T589-A591 VanDerWaalsContact C-N 3.27Å; T589-A591 PolarHBondContact O-N 2.99Å; A591-S594 PolarHBondContact O-N 3.49Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 2.85Å
592E98.8Very high97.6Very high0 Ų014.1 Ų14.10%08%0.076CC..Hα-helixtrans-65.9-38172.4-73.4174.7132.700112R231 T237 P534 V537 V588 T589 L590 A595 L596R231-E592 IonicContact CZ-OE1 3.56Å; R231-E592 IonicContact CZ-OE2 2.71Å; R231-E592 IonicContact NH1-OE1 3.91Å; R231-E592 PolarHBondContact NH1-OE1 3.06Å; R231-E592 IonicContact NH1-OE2 2.64Å; R231-E592 PolarHBondContact NH1-OE2 3.12Å; R231-E592 IonicContact NH2-OE1 2.73Å; R231-E592 PolarHBondContact NH2-OE1 2.8Å; R231-E592 VanDerWaalsContact NH2-OE1 3.15Å; T237-E592 HydrophobicContact CG2-CG 3.75Å; P534-E592 HydrophobicContact CB-CG 3.84Å; P534-E592 HydrophobicContact CG-CG 4.06Å; V537-E592 HydrophobicContact CG2-CB 3.91Å; V537-E592 HydrophobicContact CG2-CG 3.95Å; V588-E592 HydrophobicContact CG2-CB 3.77Å; T589-E592 PolarHBondContact N-OE2 3.12Å; T589-E592 WeakPolarHBondContact O-CB 3.46Å; T589-E592 PolarHBondContact O-N 3.25Å; T589-E592 VanDerWaalsContact O-N 3.17Å; T589-E592 WeakPolarHBondContact OG1-CG 3.37Å; T589-E592 PolarHBondContact OG1-N 3.01Å; T589-E592 VanDerWaalsContact OG1-N 3.12Å; L590-E592 VanDerWaalsContact C-N 3.33Å; L590-E592 PolarHBondContact O-N 2.68Å; E592-A595 PolarHBondContact O-N 3.33Å; E592-L596 WeakPolarHBondContact O-CG 3.2Å; E592-L596 PolarHBondContact O-N 2.94Å
593V98.7Very high97.3Very high0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-62.8-46.9173.9179.90000110.6L153 V588 T589 L590 A595 L596 R597 V609L153-V593 HydrophobicContact CD1-CG2 4.19Å; L153-V593 HydrophobicContact CD2-CG1 4.49Å; L153-V593 HydrophobicContact CD2-CG2 4.31Å; V588-V593 HydrophobicContact CG1-CG2 4.19Å; V588-V593 HydrophobicContact CG2-CG2 4.02Å; T589-V593 WeakPolarHBondContact O-CG2 3.43Å; T589-V593 PolarHBondContact O-N 2.93Å; T589-V593 VanDerWaalsContact O-N 3.14Å; L590-V593 WeakPolarHBondContact O-CB 3.31Å; L590-V593 PolarHBondContact O-N 2.99Å; V593-A595 VanDerWaalsContact C-N 3.31Å; V593-A595 PolarHBondContact O-N 3.41Å; V593-L596 PolarHBondContact O-N 2.86Å; V593-R597 VanDerWaalsContact CG1-CZ 3.47Å; V593-R597 WeakPolarHBondContact O-CG 3.38Å; V593-R597 PolarHBondContact O-N 3.11Å; V593-V609 HydrophobicContact CG2-CG1 4.46Å
594S98.5Very high96.9Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-56.3-44.4174.3-57.70000111.7D297 L590 A591 L596 R597 F598D297-S594 WeakPolarHBondContact OD1-CA 3.48Å; D297-S594 PolarHBondContact OD1-OG 3.28Å; L590-S594 PolarHBondContact O-N 3.11Å; L590-S594 PolarHBondContact O-OG 2.89Å; A591-S594 PolarHBondContact O-N 3.49Å; S594-L596 PolarHBondContact O-N 3Å; S594-R597 WeakPolarHBondContact O-CB 3.37Å; S594-R597 PolarHBondContact O-N 3.44Å; S594-F598 PolarHBondContact O-N 3.37Å
595A98.5Very high96.7Very high0 Ų021.9 Ų21.90%012%0.119CC..Hα-helixtrans-67.8-34.8178.500000113.1I525 V528 V537 A591 E592 V593 F598 L599I525-A595 HydrophobicContact CB-CB 4.13Å; I525-A595 HydrophobicContact CG2-CB 4.17Å; V528-A595 HydrophobicContact CG1-CB 4.02Å; V528-A595 HydrophobicContact CG2-CB 4.12Å; V537-A595 HydrophobicContact CB-CB 4.45Å; V537-A595 HydrophobicContact CG1-CB 3.79Å; V537-A595 HydrophobicContact CG2-CB 4.24Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 2.85Å; E592-A595 PolarHBondContact O-N 3.33Å; V593-A595 VanDerWaalsContact C-N 3.31Å; V593-A595 PolarHBondContact O-N 3.41Å; A595-F598 WeakPolarHBondContact O-CB 3.41Å; A595-F598 PolarHBondContact O-N 3.47Å; A595-L599 WeakPolarHBondContact O-CG 3.4Å; A595-L599 PolarHBondContact O-N 3.17Å
596L98.4Very high96.5Very high1 Ų124.3 Ų24.31%0.00513%0.129CC..Hα-helixtrans-68.9-36.3173.2-74.1167.3000112.5V537 C540 V582 F584 E592 V593 S594 F598 L599 T600 F607 V609V537-L596 HydrophobicContact CG1-CD2 4.11Å; V537-L596 HydrophobicContact CG1-CG 4.23Å; V537-L596 HydrophobicContact CG2-CG 4.16Å; C540-L596 HydrophobicContact CB-CD2 3.91Å; V582-L596 HydrophobicContact CB-CD1 4.39Å; V582-L596 HydrophobicContact CG2-CD1 4.45Å; V582-L596 HydrophobicContact CG2-CD2 4.17Å; F584-L596 HydrophobicContact CE2-CD1 3.93Å; F584-L596 HydrophobicContact CZ-CD1 4.22Å; E592-L596 WeakPolarHBondContact O-CG 3.2Å; E592-L596 PolarHBondContact O-N 2.94Å; V593-L596 PolarHBondContact O-N 2.86Å; S594-L596 PolarHBondContact O-N 3Å; L596-F598 VanDerWaalsContact C-N 3.35Å; L596-L599 HydrophobicContact CD2-CD1 4.38Å; L596-L599 PolarHBondContact O-N 3.1Å; L596-T600 PolarHBondContact O-N 3.22Å; L596-T600 PolarHBondContact O-OG1 3.48Å; L596-T600 VanDerWaalsContact O-OG1 3.05Å; L596-F607 HydrophobicContact CB-CB 4.25Å; L596-F607 HydrophobicContact CD2-CB 4.2Å; L596-F607 HydrophobicContact CD2-CD1 4.24Å; L596-F607 HydrophobicContact CD2-CG 4.17Å; L596-V609 HydrophobicContact CD1-CG2 3.61Å
597R97.7Very high96.5Very high30 Ų3024.4 Ų24.411%0.11313%0.129CC..Hα-helixtrans-64.1-40.9170.7-71.7168.6176.5151.45.1111.2D152 E246 R296 D297 V593 S594 T600 S601D152-R597 IonicContact OD1-CZ 3.03Å; D152-R597 IonicContact OD1-NE 3.63Å; D152-R597 IonicContact OD1-NH2 2.82Å; D152-R597 PolarHBondContact OD1-NH2 3.43Å; D152-R597 WeakPolarHBondContact OD2-CG 3.38Å; D152-R597 IonicContact OD2-CZ 3.72Å; D152-R597 IonicContact OD2-NE 3.1Å; D152-R597 PolarHBondContact OD2-NE 2.74Å; D152-R597 IonicContact OD2-NH2 3.8Å; E246-R597 IonicContact OE2-NH1 2.71Å; E246-R597 PolarHBondContact OE2-NH1 2.87Å; R296-R597 VanDerWaalsContact NE-NH1 3.17Å; D297-R597 WeakPolarHBondContact OD1-CD 3.34Å; D297-R597 IonicContact OD1-CZ 3.83Å; D297-R597 IonicContact OD1-NE 2.75Å; D297-R597 IonicContact OD1-NH1 3.87Å; D297-R597 PolarHBondContact OD1-NH1 2.81Å; D297-R597 WeakPolarHBondContact OD2-CD 3.46Å; D297-R597 IonicContact OD2-NH1 2.78Å; V593-R597 VanDerWaalsContact CG1-CZ 3.47Å; V593-R597 WeakPolarHBondContact O-CG 3.38Å; V593-R597 PolarHBondContact O-N 3.11Å; S594-R597 WeakPolarHBondContact O-CB 3.37Å; S594-R597 PolarHBondContact O-N 3.44Å; R597-T600 WeakPolarHBondContact O-CB 3.33Å; R597-T600 PolarHBondContact O-N 3.11Å; R597-S601 PolarHBondContact O-N 3.27Å
598F97.5Very high96.4Very high23 Ų2324.6 Ų24.610%0.10113%0.13CC..Hα-helixtrans-61.3-46.5172.2176.7-96.8000112P522 I525 Y527 S594 A595 L596 T600 S601 K602P522-F598 HydrophobicContact CB-CE2 4.11Å; P522-F598 HydrophobicContact CB-CZ 4.36Å; P522-F598 HydrophobicContact CG-CD2 4.36Å; P522-F598 HydrophobicContact CG-CE2 3.88Å; P522-F598 VanDerWaalsContact O-CE2 3.25Å; P522-F598 WeakPolarHBondContact O-CE2 3.29Å; P522-F598 VanDerWaalsContact O-CZ 3.3Å; P522-F598 WeakPolarHBondContact O-CZ 3.48Å; I525-F598 HydrophobicContact CG2-CD1 3.71Å; I525-F598 HydrophobicContact CG2-CE1 4.25Å; Y527-F598 HydrophobicContact CD1-CG 4.46Å; Y527-F598 HydrophobicContact CE1-CB 3.8Å; Y527-F598 HydrophobicContact CE1-CD1 4.24Å; Y527-F598 AromaticContact CE1-CD2 3.94Å; Y527-F598 HydrophobicContact CE1-CD2 3.94Å; Y527-F598 AromaticContact CE1-CG 3.73Å; Y527-F598 HydrophobicContact CE1-CG 3.73Å; S594-F598 PolarHBondContact O-N 3.37Å; A595-F598 WeakPolarHBondContact O-CB 3.41Å; A595-F598 PolarHBondContact O-N 3.47Å; L596-F598 VanDerWaalsContact C-N 3.35Å; F598-T600 PolarHBondContact O-N 3.43Å; F598-S601 WeakPolarHBondContact O-CA 3.28Å; F598-S601 WeakPolarHBondContact O-CB 3.46Å; F598-S601 PolarHBondContact O-N 3.39Å; F598-S601 PolarHBondContact O-OG 3.04Å; F598-K602 HydrophobicContact CD1-CG 4.32Å; F598-K602 HydrophobicContact CE1-CG 3.85Å; F598-K602 HydrophobicContact CE2-CG 4.3Å; F598-K602 HydrophobicContact CZ-CD 4.23Å; F598-K602 HydrophobicContact CZ-CG 3.86Å; F598-K602 PolarHBondContact O-N 3.37Å
599L96.4Very high96.4Very high2 Ų224.7 Ų24.71%0.0113%0.13CC..Hα-helixtrans-59.4-34175.2-75.2-176.6000113.1I525 V537 C540 E541 A595 L596 S601 K602 T603 F607I525-L599 HydrophobicContact CG2-CD1 4.25Å; I525-L599 HydrophobicContact CG2-CD2 3.51Å; I525-L599 HydrophobicContact CG2-CG 3.55Å; V537-L599 HydrophobicContact CG1-CD1 3.5Å; V537-L599 VanDerWaalsContact CG1-CD1 3.5Å; V537-L599 HydrophobicContact CG1-CG 4.2Å; C540-L599 HydrophobicContact CB-CD1 4.45Å; E541-L599 HydrophobicContact CB-CD1 3.93Å; E541-L599 HydrophobicContact CB-CD2 3.98Å; E541-L599 HydrophobicContact CG-CD2 4.05Å; A595-L599 WeakPolarHBondContact O-CG 3.4Å; A595-L599 PolarHBondContact O-N 3.17Å; L596-L599 HydrophobicContact CD2-CD1 4.38Å; L596-L599 PolarHBondContact O-N 3.1Å; L599-S601 PolarHBondContact O-N 2.86Å; L599-K602 PolarHBondContact O-N 3.23Å; L599-K602 VanDerWaalsContact O-N 3.1Å; L599-T603 WeakPolarHBondContact O-CB 3.38Å; L599-T603 WeakPolarHBondContact O-CG2 3.43Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 2.77Å; L599-F607 HydrophobicContact CB-CD2 3.97Å; L599-F607 HydrophobicContact CB-CE2 3.9Å
600T95.8Very high96.4Very high44 Ų4424.7 Ų24.727%0.2713%0.13SC..Hα-helixtrans-60.4-31.7174.3-63.10000112L596 R597 F598 H605 K606 F607L596-T600 PolarHBondContact O-N 3.22Å; L596-T600 PolarHBondContact O-OG1 3.48Å; L596-T600 VanDerWaalsContact O-OG1 3.05Å; R597-T600 WeakPolarHBondContact O-CB 3.33Å; R597-T600 PolarHBondContact O-N 3.11Å; F598-T600 PolarHBondContact O-N 3.43Å; T600-H605 WeakPolarHBondContact CA-O 3.35Å; T600-K606 HydrophobicContact CG2-CB 4.17Å; T600-K606 HydrophobicContact CG2-CG 4.06Å; T600-F607 PolarHBondContact OG1-N 3.48Å
601S93.5Very high96.4Very high87 Ų8724.4 Ų24.461%0.60813%0.129SC*.Hα-helixtrans-80.1-19.417677.70000114.2R597 F598 L599R597-S601 PolarHBondContact O-N 3.27Å; F598-S601 WeakPolarHBondContact O-CA 3.28Å; F598-S601 WeakPolarHBondContact O-CB 3.46Å; F598-S601 PolarHBondContact O-N 3.39Å; F598-S601 PolarHBondContact O-OG 3.04Å; L599-S601 PolarHBondContact O-N 2.86Å
602K93.4Very high96.4Very high98 Ų9824.4 Ų24.443%0.42613%0.129SC..Hα-helixtrans-105.7-9.7-175.5-64.2-70.7-173.21690113.7E523 F598 L599E523-K602 IonicContact OE1-NZ 3.95Å; E523-K602 IonicContact OE2-NZ 3.77Å; E523-K602 PolarHBondContact OE2-NZ 3.36Å; F598-K602 HydrophobicContact CD1-CG 4.32Å; F598-K602 HydrophobicContact CE1-CG 3.85Å; F598-K602 HydrophobicContact CE2-CG 4.3Å; F598-K602 HydrophobicContact CZ-CD 4.23Å; F598-K602 HydrophobicContact CZ-CG 3.86Å; F598-K602 PolarHBondContact O-N 3.37Å; L599-K602 PolarHBondContact O-N 3.23Å; L599-K602 VanDerWaalsContact O-N 3.1Å
603T92.2Very high96.3Very high31 Ų3125 Ų2519%0.1913%0.132CC..SBendtrans-127.3164.1-176.570.90000111.8L599 H605 F607L599-T603 WeakPolarHBondContact O-CB 3.38Å; L599-T603 WeakPolarHBondContact O-CG2 3.43Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 2.77Å; T603-H605 PolarHBondContact O-N 2.9Å; T603-H605 VanDerWaalsContact O-N 3.14Å; T603-H605 PolarHBondContact OG1-N 3.08Å; T603-H605 PolarHBondContact OG1-O 3.27Å; T603-F607 WeakPolarHBondContact OG1-CE2 3.11Å
604D90.1Very high96.3Very high113 Ų11325.4 Ų25.460%0.60414%0.135SC*.SBendtrans-76.49.4175.2-52.6-48.1000112.9K545K545-D604 IonicContact NZ-OD2 2.72Å
605H92.8Very high96.2Very high20 Ų2025.9 Ų25.99%0.09314%0.137CC..EExtended strand (participates in β ladder)trans-116.5138.3-177.6-65.1101.4000110.9S544 K578 V580 T600 T603 F607S544-H605 PolarHBondContact OG-ND1 2.81Å; K578-H605 VanDerWaalsContact CB-CD2 3.45Å; K578-H605 WeakPolarHBondContact CB-CD2 2.95Å; K578-H605 CarbonylContact O-C 3.56Å; K578-H605 VanDerWaalsContact O-CA 3.29Å; K578-H605 WeakPolarHBondContact O-CA 3.35Å; V580-H605 HydrophobicContact CG2-CB 4.03Å; T600-H605 WeakPolarHBondContact CA-O 3.35Å; T603-H605 PolarHBondContact O-N 2.9Å; T603-H605 VanDerWaalsContact O-N 3.14Å; T603-H605 PolarHBondContact OG1-N 3.08Å; T603-H605 PolarHBondContact OG1-O 3.27Å; H605-F607 HydrophobicContact CB-CE2 4.02Å; H605-F607 HydrophobicContact CB-CZ 4.08Å
606K94.8Very high96.1Very high53 Ų5326 Ų2623%0.2314%0.138CC..EExtended strand (participates in β ladder)trans-95.8113.1170.9178.8170178.7178.70109.8E577 K578 V579 V580 T600 I608E577-K606 WeakPolarHBondContact OE2-CD 3.48Å; E577-K606 IonicContact OE2-NZ 3.43Å; E577-K606 PolarHBondContact OE2-NZ 3.25Å; K578-K606 PolarHBondContact O-N 3.15Å; V579-K606 WeakPolarHBondContact CA-O 3.22Å; V579-K606 HydrophobicContact CG2-CB 4.39Å; V579-K606 HydrophobicContact CG2-CD 4.47Å; V580-K606 PolarHBondContact N-O 2.59Å; T600-K606 HydrophobicContact CG2-CB 4.17Å; T600-K606 HydrophobicContact CG2-CG 4.06Å; K606-I608 HydrophobicContact CG-CG2 4.48Å
607F96.6Very high95.9Very high5 Ų526 Ų262%0.02214%0.138CC..EExtended strand (participates in β ladder)trans-88.7127178.2-63.8-82.8000110.2C540 V580 V582 L596 L599 T600 T603 H605C540-F607 HydrophobicContact CB-CD1 4.41Å; C540-F607 HydrophobicContact CB-CE1 3.9Å; C540-F607 HydrophobicContact CB-CZ 4.37Å; V580-F607 HydrophobicContact CB-CD1 3.92Å; V580-F607 HydrophobicContact CB-CE1 4.08Å; V580-F607 HydrophobicContact CG1-CD1 4.06Å; V580-F607 HydrophobicContact CG1-CE1 4.05Å; V580-F607 HydrophobicContact CG2-CE1 4.41Å; V580-F607 WeakPolarHBondContact O-CA 3.4Å; V582-F607 HydrophobicContact CG2-CD1 3.77Å; L596-F607 HydrophobicContact CB-CB 4.25Å; L596-F607 HydrophobicContact CD2-CB 4.2Å; L596-F607 HydrophobicContact CD2-CD1 4.24Å; L596-F607 HydrophobicContact CD2-CG 4.17Å; L599-F607 HydrophobicContact CB-CD2 3.97Å; L599-F607 HydrophobicContact CB-CE2 3.9Å; T600-F607 PolarHBondContact OG1-N 3.48Å; T603-F607 WeakPolarHBondContact OG1-CE2 3.11Å; H605-F607 HydrophobicContact CB-CE2 4.02Å; H605-F607 HydrophobicContact CB-CZ 4.08Å
608I97.2Very high95.7Very high3 Ų325.9 Ų25.92%0.01514%0.141CC..EExtended strand (participates in β ladder)trans-121.9148.8170.762.6179.9000108.5A12 F14 D152 I223 V579 V580 L581 V582 K606A12-I608 HydrophobicContact CB-CD1 4.13Å; F14-I608 HydrophobicContact CE1-CD1 3.89Å; F14-I608 HydrophobicContact CE2-CB 3.87Å; F14-I608 HydrophobicContact CE2-CD1 4.24Å; F14-I608 HydrophobicContact CE2-CG1 4.27Å; F14-I608 HydrophobicContact CZ-CB 3.94Å; F14-I608 HydrophobicContact CZ-CD1 3.48Å; F14-I608 VanDerWaalsContact CZ-CD1 3.48Å; F14-I608 HydrophobicContact CZ-CG1 3.81Å; D152-I608 HydrophobicContact CB-CG2 4.2Å; I223-I608 HydrophobicContact CD1-CD1 3.88Å; I223-I608 HydrophobicContact CG1-CD1 3.96Å; V579-I608 HydrophobicContact CG1-CD1 3.6Å; V579-I608 HydrophobicContact CG1-CG1 4.02Å; V579-I608 HydrophobicContact CG1-CG2 4.37Å; V580-I608 PolarHBondContact O-N 3.2Å; L581-I608 CarbonylContact C-O 3.44Å; L581-I608 WeakPolarHBondContact CA-O 3.23Å; L581-I608 HydrophobicContact CB-CG1 4.28Å; L581-I608 HydrophobicContact CD1-CD1 4.26Å; L581-I608 HydrophobicContact CD1-CG1 3.86Å; V582-I608 PolarHBondContact N-O 3.31Å; K606-I608 HydrophobicContact CG-CG2 4.48Å
609V98.5Very high95.4Very high2 Ų227.5 Ų27.51%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-114.2127.8-167.2-174.50000111D152 L153 I154 V582 F584 V588 V593 L596D152-V609 PolarHBondContact O-N 3.1Å; L153-V609 WeakPolarHBondContact CA-O 3.21Å; L153-V609 HydrophobicContact CD1-CB 3.69Å; L153-V609 HydrophobicContact CD1-CG1 3.62Å; I154-V609 PolarHBondContact N-O 3.42Å; V582-V609 WeakPolarHBondContact O-CA 3.35Å; F584-V609 HydrophobicContact CD2-CG1 4.1Å; F584-V609 HydrophobicContact CE2-CG1 4.26Å; V588-V609 HydrophobicContact CG1-CG1 4.26Å; V588-V609 HydrophobicContact CG2-CG1 4.37Å; V593-V609 HydrophobicContact CG2-CG1 4.46Å; L596-V609 HydrophobicContact CD1-CG2 3.61Å
610A98.6Very high95.3Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-112.9146.9160.700000109.5F146 I154 L581 V582 F583 F584F146-A610 HydrophobicContact CE1-CB 4.02Å; F146-A610 HydrophobicContact CZ-CB 4.3Å; I154-A610 HydrophobicContact CD1-CB 4.07Å; I154-A610 HydrophobicContact CG1-CB 3.79Å; I154-A610 CarbonylContact O-C 3.43Å; I154-A610 WeakPolarHBondContact O-CA 3.48Å; L581-A610 HydrophobicContact CD1-CB 3.76Å; L581-A610 HydrophobicContact CG-CB 4.36Å; V582-A610 PolarHBondContact O-N 3.48Å; V582-A610 VanDerWaalsContact O-O 3.04Å; F583-A610 CarbonylContact C-O 3.55Å; F583-A610 VanDerWaalsContact CA-O 3.24Å; F583-A610 WeakPolarHBondContact CA-O 3.48Å; F583-A610 HydrophobicContact CB-CB 4.42Å; F583-A610 HydrophobicContact CD2-CB 3.66Å; F583-A610 HydrophobicContact CE2-CB 4.08Å; F583-A610 HydrophobicContact CG-CB 4.06Å; F584-A610 PolarHBondContact N-O 3.2Å
611T98.7Very high95.2Very high0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-148.7154.6178.7-175.40000111.7I154 S155 M156 F584 G587 V588 N613 V614I154-T611 PolarHBondContact O-N 3.46Å; S155-T611 WeakPolarHBondContact CA-O 3.34Å; M156-T611 PolarHBondContact N-O 3.12Å; F584-T611 WeakPolarHBondContact O-CA 3.37Å; F584-T611 PolarHBondContact O-OG1 2.89Å; G587-T611 WeakPolarHBondContact CA-OG1 3.2Å; V588-T611 HydrophobicContact CG1-CG2 3.75Å; V588-T611 PolarHBondContact N-OG1 2.79Å; T611-N613 VanDerWaalsContact C-N 3.32Å; T611-N613 VanDerWaalsContact CG2-C 3.49Å; T611-N613 WeakPolarHBondContact CG2-O 3.33Å; T611-N613 PolarHBondContact OG1-N 3.18Å; T611-N613 PolarHBondContact OG1-O 3.41Å; T611-V614 HydrophobicContact CG2-CG2 4.35Å
612T97.8Very high95.1Very high1 Ų123.3 Ų23.31%0.00612%0.119CC..SBendtrans-63.2-41.7164.654.80000110.9M156 E157 I158 A160 V176 F583 F584 V585 G586 G587M156-T612 CarbonylContact C-O 3.58Å; M156-T612 HydrophobicContact SD-CG2 4.28Å; E157-T612 PolarHBondContact N-O 3.44Å; I158-T612 PolarHBondContact N-O 3.26Å; I158-T612 CarbonylContact O-C 3.57Å; A160-T612 HydrophobicContact CB-CG2 4.46Å; V176-T612 HydrophobicContact CG2-CG2 4.22Å; F583-T612 HydrophobicContact CE1-CG2 4.24Å; F584-T612 PolarHBondContact O-N 3.42Å; V585-T612 HydrophobicContact CG1-CG2 4.4Å; G586-T612 WeakPolarHBondContact CA-OG1 3.45Å; G586-T612 PolarHBondContact N-OG1 3.45Å; G587-T612 PolarHBondContact N-OG1 3.22Å
613N97.5Very high95Very high12 Ų1219.7 Ų19.76%0.06411%0.106CC..  trans-157.6158.6172.5-153.6-3.2000112.1E157 D159 G587 V588 T611 I615E157-N613 PolarHBondContact OE1-OD1 3.07Å; D159-N613 PolarHBondContact OD1-ND2 2.89Å; G587-N613 CarbonylContact C-O 3.37Å; G587-N613 WeakPolarHBondContact CA-O 3.26Å; V588-N613 PolarHBondContact N-O 3.49Å; V588-N613 VanDerWaalsContact N-O 3.1Å; T611-N613 VanDerWaalsContact C-N 3.32Å; T611-N613 VanDerWaalsContact CG2-C 3.49Å; T611-N613 WeakPolarHBondContact CG2-O 3.33Å; T611-N613 PolarHBondContact OG1-N 3.18Å; T611-N613 PolarHBondContact OG1-O 3.41Å; N613-I615 HydrophobicContact CB-CG2 4.3Å
614V97.9Very high94.9Very high9 Ų918.3 Ų18.36%0.05510%0.097CC..BIsolated β-bridgetrans-80.3134.8162.4-176.40000107.5L149 L153 V588 L590 T611 R619L149-V614 HydrophobicContact CD1-CG2 3.52Å; L153-V614 HydrophobicContact CD2-CG2 4.31Å; V588-V614 HydrophobicContact CG1-CG2 4.43Å; V588-V614 CarbonylContact O-C 3.6Å; V588-V614 WeakPolarHBondContact O-CA 3.49Å; L590-V614 HydrophobicContact CD1-CG1 4.39Å; L590-V614 HydrophobicContact CD2-CG1 3.73Å; L590-V614 HydrophobicContact CG-CG1 3.75Å; T611-V614 HydrophobicContact CG2-CG2 4.35Å; V614-R619 VanDerWaalsContact O-CZ 3.28Å; V614-R619 PolarHBondContact O-NH1 3.01Å; V614-R619 PolarHBondContact O-NH2 3.29Å
615I97.2Very high94.6Very high10 Ų1013.4 Ų13.45%0.0517%0.072CC..  trans-133160.8-174.565.3167.9000112.5L161 R231 P238 V588 N613L161-I615 HydrophobicContact CD2-CD1 4.02Å; R231-I615 HydrophobicContact CG-CD1 4.24Å; P238-I615 HydrophobicContact CB-CD1 4.23Å; P238-I615 HydrophobicContact CG-CD1 4Å; V588-I615 PolarHBondContact O-N 2.92Å; N613-I615 HydrophobicContact CB-CG2 4.3Å
616T95.9Very high93.6Very high3 Ų318.3 Ų18.32%0.0189%0.094CC..  trans-128.5164.4160.165.50000109.3D250 S618 R619 L620D250-T616 HydrophobicContact CB-CG2 4.44Å; D250-T616 WeakPolarHBondContact OD2-CG2 3.21Å; T616-S618 PolarHBondContact O-N 2.92Å; T616-S618 PolarHBondContact OG1-N 3.14Å; T616-R619 PolarHBondContact O-N 3.05Å; T616-R619 PolarHBondContact OG1-N 2.8Å; T616-L620 PolarHBondContact O-N 2.83Å
617G94.4Very high91.9Very high0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-56.2-40.7171.100000111.5P238 L620 L621P238-G617 WeakPolarHBondContact O-CA 3.25Å; P238-G617 PolarHBondContact O-N 3.37Å; G617-L620 PolarHBondContact O-N 3.45Å; G617-L621 WeakPolarHBondContact O-CB 3.45Å; G617-L621 WeakPolarHBondContact O-CG 3.33Å; G617-L621 PolarHBondContact O-N 3.45Å
618S92.2Very high89.8Confident27 Ų2722.1 Ų22.119%0.18911%0.112CC..Hα-helixtrans-60.3-48.7176.6-55.60000112.2V439 R443 T616 L620 L621 S622V439-S618 VanDerWaalsContact CG1-CA 3.49Å; R443-S618 PolarHBondContact NH1-OG 2.9Å; T616-S618 PolarHBondContact O-N 2.92Å; T616-S618 PolarHBondContact OG1-N 3.14Å; S618-L620 PolarHBondContact O-N 2.96Å; S618-L621 PolarHBondContact O-N 2.97Å; S618-S622 WeakPolarHBondContact O-CB 3.38Å; S618-S622 PolarHBondContact O-N 3.07Å; S618-S622 PolarHBondContact O-OG 3.17Å
619R91.8Very high87.5Confident58 Ų5827 Ų2722%0.21914%0.135CC..Hα-helixtrans-63.2-42.4178.6-75.5-172-84.8163.6-3.7112.6D250 N254 V614 T616 S623D250-R619 IonicContact OD1-CZ 2.93Å; D250-R619 IonicContact OD1-NE 3.34Å; D250-R619 IonicContact OD1-NH2 2.72Å; D250-R619 PolarHBondContact OD1-NH2 3.24Å; D250-R619 IonicContact OD2-CZ 2.75Å; D250-R619 IonicContact OD2-NH2 3.13Å; D250-R619 PolarHBondContact OD2-NH2 2.87Å; N254-R619 WeakPolarHBondContact OD1-CD 3.48Å; V614-R619 VanDerWaalsContact O-CZ 3.28Å; V614-R619 PolarHBondContact O-NH1 3.01Å; V614-R619 PolarHBondContact O-NH2 3.29Å; T616-R619 PolarHBondContact O-N 3.05Å; T616-R619 PolarHBondContact OG1-N 2.8Å; R619-S623 PolarHBondContact O-N 3.07Å
620L94.8Very high84.7Confident7 Ų731.4 Ų31.44%0.03717%0.172CC..Hα-helixtrans-59.8-48.7175.3174.656.5000111L161 P162 L165 M239 L487 T616 G617 S618 S623 F624L161-L620 HydrophobicContact CB-CD1 4.37Å; L161-L620 HydrophobicContact CD2-CD1 3.77Å; L161-L620 HydrophobicContact CD2-CD2 3.63Å; L161-L620 HydrophobicContact CD2-CG 4.28Å; L161-L620 HydrophobicContact CG-CD1 4Å; P162-L620 HydrophobicContact CG-CD1 4.04Å; L165-L620 HydrophobicContact CD1-CD1 4.36Å; L165-L620 HydrophobicContact CD1-CD2 4.47Å; M239-L620 HydrophobicContact CE-CD2 3.68Å; M239-L620 HydrophobicContact CE-CG 4.45Å; L487-L620 HydrophobicContact CD1-CD2 4.32Å; T616-L620 PolarHBondContact O-N 2.83Å; G617-L620 PolarHBondContact O-N 3.45Å; S618-L620 PolarHBondContact O-N 2.96Å; L620-S623 WeakPolarHBondContact O-CB 3.34Å; L620-S623 PolarHBondContact O-N 3Å; L620-S623 PolarHBondContact O-OG 3.26Å; L620-F624 HydrophobicContact CD1-CE2 3.75Å; L620-F624 HydrophobicContact CD1-CZ 4.17Å; L620-F624 HydrophobicContact CG-CE2 4.06Å; L620-F624 WeakPolarHBondContact O-CD2 3.35Å
621L94.3Very high81.6Confident0 Ų039.9 Ų39.90%022%0.223CC..Hα-helixtrans-70.7-34.2-176.7-66.5173.6000113.1M239 V439 L442 R443 L482 L487 G617 S618 S623 F624 T625M239-L621 HydrophobicContact CE-CD1 4.42Å; M239-L621 HydrophobicContact CE-CD2 4.24Å; M239-L621 HydrophobicContact CE-CG 4.2Å; M239-L621 HydrophobicContact SD-CD1 3.97Å; M239-L621 HydrophobicContact SD-CG 4.38Å; V439-L621 HydrophobicContact CG1-CB 4.09Å; L442-L621 HydrophobicContact CB-CD1 4.15Å; R443-L621 HydrophobicContact CB-CD1 3.6Å; R443-L621 HydrophobicContact CG-CD1 4.17Å; R443-L621 VanDerWaalsContact N-CD1 3.34Å; L482-L621 HydrophobicContact CD2-CD2 3.56Å; L487-L621 HydrophobicContact CD1-CD2 4.27Å; G617-L621 WeakPolarHBondContact O-CB 3.45Å; G617-L621 WeakPolarHBondContact O-CG 3.33Å; G617-L621 PolarHBondContact O-N 3.45Å; S618-L621 PolarHBondContact O-N 2.97Å; L621-S623 PolarHBondContact O-N 3.32Å; L621-F624 HydrophobicContact CD2-CD2 4.41Å; L621-F624 PolarHBondContact O-N 3.14Å; L621-F624 VanDerWaalsContact O-N 3.08Å; L621-T625 PolarHBondContact O-N 2.7Å
622S91.2Very high80.8Confident37 Ų3741.9 Ų41.926%0.25923%0.234SC..Hα-helixtrans-55.1-39.5172.4-680000111.7S618 F624 T625 E626S618-S622 WeakPolarHBondContact O-CB 3.38Å; S618-S622 PolarHBondContact O-N 3.07Å; S618-S622 PolarHBondContact O-OG 3.17Å; S622-F624 PolarHBondContact O-N 3.05Å; S622-T625 WeakPolarHBondContact CA-OG1 3.5Å; S622-T625 PolarHBondContact O-N 2.88Å; S622-T625 PolarHBondContact O-OG1 3.25Å; S622-E626 WeakPolarHBondContact O-CG 3.32Å; S622-E626 PolarHBondContact O-N 2.8Å
623S89.6Confident79.9Confident23 Ų2344 Ų4416%0.16125%0.246CC..Hα-helixtrans-58.2-33.8178.677.60000113.1P162 R619 L620 L621 F627P162-S623 WeakPolarHBondContact CB-OG 3.38Å; P162-S623 WeakPolarHBondContact CG-OG 3.48Å; R619-S623 PolarHBondContact O-N 3.07Å; L620-S623 WeakPolarHBondContact O-CB 3.34Å; L620-S623 PolarHBondContact O-N 3Å; L620-S623 PolarHBondContact O-OG 3.26Å; L621-S623 PolarHBondContact O-N 3.32Å; S623-F627 WeakPolarHBondContact O-CD2 3.34Å
624F90.8Very high78.9Confident1 Ų145.8 Ų45.80%0.00426%0.256CS..Hα-helixtrans-80.4-20.6176.7-58.5-66.4000113.3P162 L165 V166 T478 L481 L482 A485 L487 L620 L621 S622P162-F624 HydrophobicContact CB-CE1 4.09Å; P162-F624 HydrophobicContact CB-CZ 4.11Å; L165-F624 HydrophobicContact CD1-CZ 4.34Å; V166-F624 HydrophobicContact CG2-CD1 4.31Å; V166-F624 HydrophobicContact CG2-CE1 3.54Å; V166-F624 HydrophobicContact CG2-CZ 4.42Å; T478-F624 HydrophobicContact CG2-CB 4.22Å; T478-F624 PolarHBondContact OG1-O 2.98Å; L481-F624 HydrophobicContact CB-CD1 3.97Å; L482-F624 HydrophobicContact CD2-CB 4.21Å; L482-F624 HydrophobicContact CD2-CD2 3.45Å; L482-F624 VanDerWaalsContact CD2-CD2 3.45Å; L482-F624 HydrophobicContact CD2-CE2 3.96Å; L482-F624 HydrophobicContact CD2-CG 3.89Å; L482-F624 HydrophobicContact CG-CB 4.45Å; L482-F624 HydrophobicContact CG-CD2 4.49Å; L482-F624 HydrophobicContact CG-CG 4.5Å; A485-F624 HydrophobicContact CB-CE1 4.34Å; A485-F624 HydrophobicContact CB-CZ 4.08Å; L487-F624 HydrophobicContact CD1-CD2 4.5Å; L487-F624 HydrophobicContact CD1-CE2 3.7Å; L487-F624 HydrophobicContact CD1-CZ 4.26Å; L620-F624 HydrophobicContact CD1-CE2 3.75Å; L620-F624 HydrophobicContact CD1-CZ 4.17Å; L620-F624 HydrophobicContact CG-CE2 4.06Å; L620-F624 WeakPolarHBondContact O-CD2 3.35Å; L621-F624 HydrophobicContact CD2-CD2 4.41Å; L621-F624 PolarHBondContact O-N 3.14Å; L621-F624 VanDerWaalsContact O-N 3.08Å; S622-F624 PolarHBondContact O-N 3.05Å
625T84.3Confident77.8Confident11 Ų1147.9 Ų47.97%0.06727%0.268CS..Hα-helixtrans-80.1-38.3173.263.80000111.6I438 V439 L442 T478 L621 S622 F627 T628I438-T625 HydrophobicContact CG2-CG2 4.47Å; V439-T625 HydrophobicContact CG2-CG2 4.34Å; L442-T625 HydrophobicContact CD1-CG2 4.03Å; T478-T625 HydrophobicContact CG2-CG2 3.95Å; L621-T625 PolarHBondContact O-N 2.7Å; S622-T625 WeakPolarHBondContact CA-OG1 3.5Å; S622-T625 PolarHBondContact O-N 2.88Å; S622-T625 PolarHBondContact O-OG1 3.25Å; T625-F627 VanDerWaalsContact C-N 3.34Å; T625-F627 PolarHBondContact O-N 3.34Å; T625-T628 PolarHBondContact O-N 3.02Å; T625-T628 VanDerWaalsContact O-N 3.12Å; T625-T628 PolarHBondContact O-OG1 3.28Å
626E71Confident76.6Confident122 Ų12250.3 Ų50.357%0.5728%0.282SS*.Hα-helixtrans-66.3-32.6-178.4-72.1174.6-17200113.2S622 T628 E629 A630S622-E626 WeakPolarHBondContact O-CG 3.32Å; S622-E626 PolarHBondContact O-N 2.8Å; E626-T628 PolarHBondContact O-N 3.32Å; E626-E629 PolarHBondContact O-N 2.82Å; E626-A630 PolarHBondContact O-N 3.3Å
627F59.3Low75.3Confident125 Ų12553.5 Ų53.555%0.54830%0.299SS..THydrogen-bonded Turntrans-54.2-25.5173.5-89.4-71.2000113.2L481 S623 T625L481-F627 HydrophobicContact CD1-CB 3.81Å; L481-F627 HydrophobicContact CD1-CD2 4.22Å; L481-F627 HydrophobicContact CD1-CG 4.14Å; S623-F627 WeakPolarHBondContact O-CD2 3.34Å; T625-F627 VanDerWaalsContact C-N 3.34Å; T625-F627 PolarHBondContact O-N 3.34Å
628T53.4Low73.9Confident14 Ų1457.3 Ų57.39%0.08632%0.321CS..THydrogen-bonded Turntrans-85.6-15.4-178.368.10000114M477 T478 T625 E626M477-T628 HydrophobicContact CB-CG2 3.78Å; M477-T628 HydrophobicContact CG-CG2 4.1Å; T478-T628 VanDerWaalsContact OG1-CG2 3.27Å; T478-T628 WeakPolarHBondContact OG1-CG2 3.41Å; T625-T628 PolarHBondContact O-N 3.02Å; T625-T628 VanDerWaalsContact O-N 3.12Å; T625-T628 PolarHBondContact O-OG1 3.28Å; E626-T628 PolarHBondContact O-N 3.32Å
629E47.4Very low72.5Confident104 Ų10459.6 Ų59.649%0.48633%0.331SS..THydrogen-bonded Turntrans-98.5-17.6179.5-61.9-175162.400112.9R435 E626 V631R435-E629 IonicContact CZ-OE1 3.67Å; R435-E629 IonicContact CZ-OE2 2.72Å; R435-E629 IonicContact NE-OE1 2.71Å; R435-E629 PolarHBondContact NE-OE1 3.42Å; R435-E629 IonicContact NE-OE2 3.58Å; R435-E629 IonicContact NH1-OE2 3.59Å; R435-E629 IonicContact NH2-OE1 3.32Å; R435-E629 PolarHBondContact NH2-OE1 3.47Å; R435-E629 IonicContact NH2-OE2 3.16Å; R435-E629 PolarHBondContact NH2-OE2 3.07Å; E626-E629 PolarHBondContact O-N 2.82Å; E629-V631 VanDerWaalsContact C-N 3.32Å
630A41.2Very low70.9Confident95 Ų9559.8 Ų59.879%0.78534%0.34SS*.  trans-83.4-8.5176.100000113.7E626E626-A630 PolarHBondContact O-N 3.3Å
631V33.5Very low68.7Low178 Ų17864.5 Ų64.5100%1.07937%0.368SS*.  trans-104.70173.4-177.60000108.1E629E629-V631 VanDerWaalsContact C-N 3.32Å

Retrieved 631 of 631 residues in 521.9 ms (Link to these results)

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